HEADER    DNA                                     30-AUG-18   6MC5              
OBSLTE     05-DEC-18 6MC5      6N4G                                             
TITLE     CRYSTAL STRUCTURE OF A TETRAMERIC DNA FOLD-BACK QUADRUPLEX            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DNA (5'-D(*CP*GP*TP*TP*AP*GP*GP*CP*G)-3');                 
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE   4 ORGANISM_TAXID: 32630                                                
KEYWDS    QUADRUPLEX, FOLD-BACK, HEXAD, NON-CANONICAL, DNA                      
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    B.CHU,P.J.PAUKSTELIS                                                  
REVDAT   2   05-DEC-18 6MC5    1       OBSLTE                                   
REVDAT   1   14-NOV-18 6MC5    0                                                
JRNL        AUTH   B.CHU,D.ZHANG,W.HWANG,P.J.PAUKSTELIS                         
JRNL        TITL   CRYSTAL STRUCTURE OF A TETRAMERIC DNA FOLD-BACK QUADRUPLEX.  
JRNL        REF    J. AM. CHEM. SOC.                          2018              
JRNL        REFN                   ESSN 1520-5126                               
JRNL        PMID   30384604                                                     
JRNL        DOI    10.1021/JACS.8B10153                                         
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.40 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.8.0155                                      
REMARK   3   AUTHORS     : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER,              
REMARK   3               : NICHOLLS,WINN,LONG,VAGIN                             
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 28.41                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 8753                           
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) : 0.151                           
REMARK   3   R VALUE            (WORKING SET) : 0.147                           
REMARK   3   FREE R VALUE                     : 0.219                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.700                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 433                             
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) : 1.40                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.44                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 645                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 98.12                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.1980                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 34                           
REMARK   3   BIN FREE R VALUE                    : 0.2440                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 0                                       
REMARK   3   NUCLEIC ACID ATOMS       : 368                                     
REMARK   3   HETEROGEN ATOMS          : 9                                       
REMARK   3   SOLVENT ATOMS            : 136                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 18.63                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 1.92000                                              
REMARK   3    B22 (A**2) : -2.09000                                             
REMARK   3    B33 (A**2) : 0.05000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.24000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.074         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.076         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.060         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.388         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.976                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.953                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):   412 ; 0.013 ; 0.011       
REMARK   3   BOND LENGTHS OTHERS               (A):   204 ; 0.003 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):   634 ; 1.806 ; 1.151       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):   482 ; 1.822 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):    54 ; 0.079 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):   218 ; 0.034 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):    88 ; 0.006 ; 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):   412 ; 2.437 ; 1.641       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):   411 ; 2.439 ; 1.641       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):   635 ; 2.885 ; 2.476       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):   685 ; 4.598 ;18.346       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):   634 ; 3.820 ;16.611       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):   616 ; 4.247 ; 3.000       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):    72 ;19.886 ; 5.000       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):   649 ; 9.447 ; 5.000       
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  : NULL                                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : NULL                                                 
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 6MC5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-AUG-18.                  
REMARK 100 THE DEPOSITION ID IS D_1000236600.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 23-APR-17                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.4                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 23-ID-D                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.92                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS3 S 6M              
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS                            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 9187                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.400                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 28.410                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.5                               
REMARK 200  DATA REDUNDANCY                : 3.300                              
REMARK 200  R MERGE                    (I) : 0.08000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 8.1000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.42                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.33600                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 42.39                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.13                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 15% MPD, 120 MM BARIUM CHLORIDE, 30 MM   
REMARK 280  SODIUM CACODYLATE, EQUILIBRATED AGAINST 20% MPD, PH 6.4, VAPOR      
REMARK 280  DIFFUSION, SITTING DROP, TEMPERATURE 295K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 1 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y,-Z                                                 
REMARK 290       3555   X+1/2,Y+1/2,Z+1/2                                       
REMARK 290       4555   -X+1/2,Y+1/2,-Z+1/2                                     
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        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000        9.59409            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       26.85250            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       16.73997            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000        9.59409            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       26.85250            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000       16.73997            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2720 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 8620 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -109.0 KCAL/MOL                       
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   BIOMT1   2 -1.000000  0.000000  0.000000      -54.89226            
REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000      133.91980            
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   3  1.000000  0.000000  0.000000      -26.32900            
REMARK 350   BIOMT2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   4 -1.000000  0.000000  0.000000      -28.56326            
REMARK 350   BIOMT2   4  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   4  0.000000  0.000000 -1.000000      133.91980            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    HOH A   228     O    HOH B   225              2.06            
REMARK 500   O    HOH A   221     O    HOH A   237              2.10            
REMARK 500   O    HOH B   201     O    HOH B   228              2.11            
REMARK 500   O    HOH A   268     O    HOH B   266              2.14            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   O    HOH A   203     O    HOH B   205    26510     2.01            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500     DA A   5   O5' -  P   -  OP1 ANGL. DEV. =  -6.8 DEGREES          
REMARK 500     DC A   8   O5' -  P   -  OP2 ANGL. DEV. =  -5.8 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500     DC B   8         0.06    SIDE CHAIN                              
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 A 269        DISTANCE =  7.89 ANGSTROMS                       
REMARK 525    HOH B 264        DISTANCE =  6.14 ANGSTROMS                       
REMARK 525    HOH B 265        DISTANCE =  6.14 ANGSTROMS                       
REMARK 525    HOH B 266        DISTANCE =  6.46 ANGSTROMS                       
REMARK 525    HOH B 267        DISTANCE =  7.71 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                              BA A 104  BA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  DG A   2   OP1                                                    
REMARK 620 2 HOH A 245   O    79.1                                              
REMARK 620 3 HOH A 259   O   126.3  56.9                                        
REMARK 620 4 HOH A 209   O   144.0 107.8  83.1                                  
REMARK 620 5 HOH A 211   O    78.7  69.0 108.1  71.6                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              BA A 105  BA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  DT A   3   O2                                                     
REMARK 620 2 HOH A 248   O    79.2                                              
REMARK 620 3 HOH B 233   O    70.5 132.9                                        
REMARK 620 N                    1     2                                         
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              BA B 101  BA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  DG B   2   OP1                                                    
REMARK 620 2 HOH B 238   O    91.3                                              
REMARK 620 3 HOH B 203   O    73.3  93.5                                        
REMARK 620 4 HOH B 251   O    94.1  65.4 155.6                                  
REMARK 620 5 HOH B 237   O   144.1  79.4  72.7 112.6                            
REMARK 620 6 HOH B 221   O    81.2 164.0  97.8 100.9 114.8                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              BA B 102  BA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  DT B   3   O2                                                     
REMARK 620 2 HOH B 243   O    69.0                                              
REMARK 620 3 HOH B 260   O   126.1  75.3                                        
REMARK 620 4 HOH A 220   O    68.0 135.7 142.1                                  
REMARK 620 5 HOH A 257   O   136.5 145.5  70.4  77.4                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              BA B 102  BA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  DT B   3   O2                                                     
REMARK 620 2 HOH A 217   O    72.8                                              
REMARK 620 3 HOH A 220   O    74.5  64.5                                        
REMARK 620 N                    1     2                                         
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              BA B 103  BA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  DT B   4   O2                                                     
REMARK 620 2 HOH B 244   O    76.7                                              
REMARK 620 3 HOH B 261   O   149.5  74.5                                        
REMARK 620 4 HOH B 263   O   143.4  95.0  50.1                                  
REMARK 620 5 HOH B 229   O    66.1  82.5 119.0  77.6                            
REMARK 620 6  DT B   4   O2    0.0  76.7 149.5 143.4  66.1                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              BA A 101  BA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  DG B   7   O6                                                     
REMARK 620 2 HOH A 264   O   146.6                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              BA A 102  BA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH A 243   O                                                      
REMARK 620 2 HOH A 238   O    66.9                                              
REMARK 620 3 HOH A 239   O   152.1  95.4                                        
REMARK 620 4 HOH A 260   O   109.2  65.9  80.2                                  
REMARK 620 5 HOH A 261   O   130.3 133.9  77.5  68.0                            
REMARK 620 6 HOH B 218   O    63.1  98.2 143.7  75.1  68.8                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              BA A 103  BA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH A 266   O                                                      
REMARK 620 2 HOH A 222   O    66.3                                              
REMARK 620 3 HOH A 237   O   130.1  69.0                                        
REMARK 620 4 HOH A 267   O   159.6 132.4  70.2                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              BA B 104  BA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH B 267   O                                                      
REMARK 620 2 HOH B 215   O   149.5                                              
REMARK 620 3 HOH B 260   O   131.8  55.1                                        
REMARK 620 4 HOH B 265   O    75.7  75.5  85.8                                  
REMARK 620 5 HOH B 262   O    70.6 122.0 145.7 128.1                            
REMARK 620 6 HOH B 264   O    96.6 111.5  68.6 138.0  84.9                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue BA A 101                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue BA A 102                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue BA A 103                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue BA A 104                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue BA A 105                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue BA B 101                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue BA B 102                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue BA B 103                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue BA B 104                  
DBREF  6MC5 A    1     9  PDB    6MC5     6MC5             1      9             
DBREF  6MC5 B    1     9  PDB    6MC5     6MC5             1      9             
SEQRES   1 A    9   DC  DG  DT  DT  DA  DG  DG  DC  DG                          
SEQRES   1 B    9   DC  DG  DT  DT  DA  DG  DG  DC  DG                          
HET     BA  A 101       2                                                       
HET     BA  A 102       1                                                       
HET     BA  A 103       1                                                       
HET     BA  A 104       1                                                       
HET     BA  A 105       1                                                       
HET     BA  B 101       1                                                       
HET     BA  B 102       2                                                       
HET     BA  B 103       1                                                       
HET     BA  B 104       1                                                       
HETNAM      BA BARIUM ION                                                       
FORMUL   3   BA    9(BA 2+)                                                     
FORMUL  12  HOH   *136(H2 O)                                                    
LINK         OP1  DG A   2                BA    BA A 104     1555   1555  2.71  
LINK         O2   DT A   3                BA    BA A 105     1555   1555  2.54  
LINK         O6   DG A   7                BA  B BA A 101     1555   1555  2.90  
LINK         OP1  DG B   2                BA    BA B 101     1555   1555  2.71  
LINK         O2   DT B   3                BA  A BA B 102     1555   1555  3.14  
LINK         O2   DT B   3                BA  B BA B 102     1555   1555  2.51  
LINK         O2   DT B   4                BA    BA B 103     1555   1555  2.82  
LINK         O6   DG B   7                BA  A BA A 101     1555   1555  2.76  
LINK        BA  A BA A 101                 O   HOH A 264     1555   1555  2.69  
LINK        BA    BA A 102                 O   HOH A 243     1555   1555  2.81  
LINK        BA    BA A 102                 O   HOH A 238     1555   1555  2.65  
LINK        BA    BA A 102                 O   HOH A 239     1555   1555  2.96  
LINK        BA    BA A 102                 O   HOH A 260     1555   1555  2.78  
LINK        BA    BA A 102                 O   HOH A 261     1555   1555  2.63  
LINK        BA    BA A 103                 O   HOH A 266     1555   1555  2.84  
LINK        BA    BA A 103                 O   HOH A 222     1555   1555  2.60  
LINK        BA    BA A 103                 O   HOH A 237     1555   1555  2.61  
LINK        BA    BA A 103                 O   HOH A 267     1555   1555  2.70  
LINK        BA    BA A 104                 O   HOH A 245     1555   1555  2.87  
LINK        BA    BA A 104                 O  AHOH A 259     1555   1555  2.66  
LINK        BA    BA A 104                 O   HOH A 209     1555   1555  2.82  
LINK        BA    BA A 104                 O   HOH A 211     1555   1555  2.85  
LINK        BA    BA A 105                 O   HOH A 248     1555   1555  2.95  
LINK        BA    BA A 105                 O   HOH B 233     1555   1555  2.79  
LINK        BA    BA B 101                 O   HOH B 238     1555   1555  3.01  
LINK        BA    BA B 101                 O   HOH B 203     1555   1555  2.87  
LINK        BA    BA B 101                 O   HOH B 251     1555   1555  2.87  
LINK        BA  A BA B 102                 O   HOH B 243     1555   1555  2.77  
LINK        BA  A BA B 102                 O   HOH B 260     1555   1555  3.44  
LINK        BA  A BA B 102                 O   HOH A 220     1555   1555  2.92  
LINK        BA  A BA B 102                 O   HOH A 257     1555   1555  2.64  
LINK        BA  B BA B 102                 O   HOH A 217     1555   1555  3.16  
LINK        BA  B BA B 102                 O   HOH A 220     1555   1555  3.06  
LINK        BA    BA B 103                 O   HOH B 244     1555   1555  2.94  
LINK        BA    BA B 103                 O   HOH B 261     1555   1555  2.53  
LINK        BA    BA B 103                 O   HOH B 263     1555   1555  2.91  
LINK        BA    BA B 103                 O   HOH B 229     1555   1555  3.07  
LINK        BA    BA B 104                 O   HOH B 267     1555   1555  3.05  
LINK        BA    BA B 104                 O   HOH B 215     1555   1555  2.90  
LINK        BA    BA B 104                 O   HOH B 260     1555   1555  3.19  
LINK        BA    BA B 104                 O   HOH B 265     1555   1555  2.91  
LINK        BA    BA B 104                 O   HOH B 262     1555   1555  2.63  
LINK        BA    BA B 104                 O   HOH B 264     1555   1555  3.27  
LINK         O2   DT B   4                BA    BA B 103     1555   2659  2.74  
LINK        BA    BA A 102                 O   HOH B 218     1555   1455  2.81  
LINK        BA    BA B 101                 O   HOH B 237     1555   2659  2.76  
LINK        BA    BA B 101                 O   HOH B 221     1555   2659  2.86  
SITE     1 AC1  4  DG A   7  HOH A 228  HOH A 264   DG B   7                    
SITE     1 AC2  7  DA A   5  HOH A 238  HOH A 239  HOH A 243                    
SITE     2 AC2  7 HOH A 260  HOH A 261  HOH B 218                               
SITE     1 AC3  5 HOH A 222  HOH A 237  HOH A 265  HOH A 266                    
SITE     2 AC3  5 HOH A 267                                                     
SITE     1 AC4  5  DG A   2  HOH A 209  HOH A 211  HOH A 245                    
SITE     2 AC4  5 HOH A 259                                                     
SITE     1 AC5  6  DT A   3  HOH A 225  HOH A 230  HOH A 234                    
SITE     2 AC5  6 HOH A 248  HOH B 233                                          
SITE     1 AC6  6  DG B   2  HOH B 203  HOH B 221  HOH B 237                    
SITE     2 AC6  6 HOH B 238  HOH B 251                                          
SITE     1 AC7  6 HOH A 217  HOH A 220  HOH A 257   DT B   3                    
SITE     2 AC7  6 HOH B 243  HOH B 253                                          
SITE     1 AC8  5  DT B   4  HOH B 229  HOH B 244  HOH B 261                    
SITE     2 AC8  5 HOH B 263                                                     
SITE     1 AC9  5 HOH B 215  HOH B 262  HOH B 265  HOH B 266                    
SITE     2 AC9  5 HOH B 267                                                     
CRYST1   26.329   53.705   34.233  90.00 102.04  90.00 I 1 2 1       8          
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      0.037981  0.000000  0.008102        0.00000                         
SCALE2      0.000000  0.018620  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.029869        0.00000                         
ATOM      1  O5'  DC A   1     -16.117   0.078  81.037  1.00 25.74           O  
ATOM      2  C5'  DC A   1     -16.240   1.299  81.797  1.00 21.41           C  
ATOM      3  C4'  DC A   1     -15.591   2.418  81.015  1.00 16.95           C  
ATOM      4  O4'  DC A   1     -14.193   2.139  80.817  1.00 18.24           O  
ATOM      5  C3'  DC A   1     -16.166   2.695  79.628  1.00 18.92           C  
ATOM      6  O3'  DC A   1     -16.356   4.095  79.477  1.00 22.87           O  
ATOM      7  C2'  DC A   1     -15.126   2.183  78.666  1.00 19.79           C  
ATOM      8  C1'  DC A   1     -13.850   2.288  79.441  1.00 17.40           C  
ATOM      9  N1   DC A   1     -12.891   1.239  79.126  1.00 15.14           N  
ATOM     10  C2   DC A   1     -11.566   1.570  78.794  1.00 13.96           C  
ATOM     11  O2   DC A   1     -11.219   2.771  78.781  1.00 16.98           O  
ATOM     12  N3   DC A   1     -10.666   0.572  78.617  1.00 15.97           N  
ATOM     13  C4   DC A   1     -11.063  -0.701  78.685  1.00 16.64           C  
ATOM     14  N4   DC A   1     -10.163  -1.649  78.517  1.00 17.36           N  
ATOM     15  C5   DC A   1     -12.392  -1.056  79.034  1.00 16.00           C  
ATOM     16  C6   DC A   1     -13.260  -0.069  79.249  1.00 17.43           C  
ATOM     17  P    DG A   2     -17.207   4.672  78.233  1.00 23.68           P  
ATOM     18  OP1  DG A   2     -18.070   5.776  78.709  1.00 26.70           O  
ATOM     19  OP2  DG A   2     -17.855   3.543  77.528  1.00 29.52           O  
ATOM     20  O5'  DG A   2     -16.072   5.106  77.204  1.00 20.76           O  
ATOM     21  C5'  DG A   2     -15.115   6.121  77.558  1.00 17.13           C  
ATOM     22  C4'  DG A   2     -14.086   6.215  76.457  1.00 17.31           C  
ATOM     23  O4'  DG A   2     -13.204   5.069  76.452  1.00 18.51           O  
ATOM     24  C3'  DG A   2     -14.663   6.324  75.039  1.00 20.56           C  
ATOM     25  O3'  DG A   2     -14.002   7.378  74.298  1.00 19.66           O  
ATOM     26  C2'  DG A   2     -14.327   4.973  74.432  1.00 18.51           C  
ATOM     27  C1'  DG A   2     -13.018   4.661  75.102  1.00 17.65           C  
ATOM     28  N9   DG A   2     -12.639   3.259  75.147  1.00 17.99           N  
ATOM     29  C8   DG A   2     -13.438   2.164  75.413  1.00 18.73           C  
ATOM     30  N7   DG A   2     -12.754   1.062  75.551  1.00 16.30           N  
ATOM     31  C5   DG A   2     -11.426   1.466  75.441  1.00 16.09           C  
ATOM     32  C6   DG A   2     -10.227   0.713  75.527  1.00 13.69           C  
ATOM     33  O6   DG A   2     -10.103  -0.511  75.603  1.00 15.85           O  
ATOM     34  N1   DG A   2      -9.104   1.511  75.351  1.00 14.20           N  
ATOM     35  C2   DG A   2      -9.131   2.859  75.099  1.00 14.12           C  
ATOM     36  N2   DG A   2      -7.936   3.450  74.922  1.00 15.53           N  
ATOM     37  N3   DG A   2     -10.238   3.578  75.048  1.00 16.16           N  
ATOM     38  C4   DG A   2     -11.344   2.819  75.213  1.00 14.69           C  
ATOM     39  P    DT A   3     -14.863   8.525  73.584  1.00 19.50           P  
ATOM     40  OP1  DT A   3     -16.186   8.713  74.233  1.00 21.82           O  
ATOM     41  OP2  DT A   3     -14.872   8.237  72.126  1.00 23.50           O  
ATOM     42  O5'  DT A   3     -13.991   9.826  73.836  1.00 17.35           O  
ATOM     43  C5'  DT A   3     -13.795  10.297  75.189  1.00 17.10           C  
ATOM     44  C4'  DT A   3     -12.783  11.409  75.190  1.00 17.10           C  
ATOM     45  O4'  DT A   3     -11.505  10.942  74.731  1.00 17.83           O  
ATOM     46  C3'  DT A   3     -13.163  12.558  74.260  1.00 18.04           C  
ATOM     47  O3'  DT A   3     -12.677  13.800  74.765  1.00 17.36           O  
ATOM     48  C2'  DT A   3     -12.420  12.224  72.988  1.00 18.26           C  
ATOM     49  C1'  DT A   3     -11.144  11.624  73.526  1.00 20.91           C  
ATOM     50  N1   DT A   3     -10.490  10.648  72.621  1.00 18.91           N  
ATOM     51  C2   DT A   3      -9.523  11.138  71.766  1.00 20.55           C  
ATOM     52  O2   DT A   3      -9.192  12.314  71.741  1.00 25.53           O  
ATOM     53  N3   DT A   3      -8.933  10.193  70.964  1.00 21.20           N  
ATOM     54  C4   DT A   3      -9.255   8.852  70.889  1.00 19.79           C  
ATOM     55  O4   DT A   3      -8.642   8.117  70.117  1.00 27.60           O  
ATOM     56  C5   DT A   3     -10.322   8.418  71.777  1.00 21.50           C  
ATOM     57  C7   DT A   3     -10.727   6.975  71.776  1.00 22.82           C  
ATOM     58  C6   DT A   3     -10.881   9.327  72.580  1.00 19.34           C  
ATOM     59  P    DT A   4     -13.667  15.032  74.816  1.00 17.18           P  
ATOM     60  OP1  DT A   4     -14.374  15.078  73.507  1.00 18.43           O  
ATOM     61  OP2  DT A   4     -12.873  16.155  75.232  1.00 18.24           O  
ATOM     62  O5'  DT A   4     -14.780  14.660  75.903  1.00 17.05           O  
ATOM     63  C5'  DT A   4     -14.418  14.391  77.279  1.00 16.31           C  
ATOM     64  C4'  DT A   4     -15.636  14.524  78.144  1.00 15.33           C  
ATOM     65  O4'  DT A   4     -15.940  15.914  78.351  1.00 16.88           O  
ATOM     66  C3'  DT A   4     -16.886  13.916  77.512  1.00 18.17           C  
ATOM     67  O3'  DT A   4     -17.677  13.287  78.543  1.00 17.64           O  
ATOM     68  C2'  DT A   4     -17.565  15.106  76.859  1.00 16.38           C  
ATOM     69  C1'  DT A   4     -17.229  16.216  77.810  1.00 17.00           C  
ATOM     70  N1   DT A   4     -17.138  17.536  77.155  1.00 17.84           N  
ATOM     71  C2   DT A   4     -18.141  18.449  77.401  1.00 19.51           C  
ATOM     72  O2   DT A   4     -19.124  18.190  78.097  1.00 20.90           O  
ATOM     73  N3   DT A   4     -17.959  19.670  76.792  1.00 19.41           N  
ATOM     74  C4   DT A   4     -16.869  20.065  76.032  1.00 16.99           C  
ATOM     75  O4   DT A   4     -16.823  21.197  75.568  1.00 19.60           O  
ATOM     76  C5   DT A   4     -15.810  19.094  75.919  1.00 15.67           C  
ATOM     77  C7   DT A   4     -14.590  19.446  75.135  1.00 17.35           C  
ATOM     78  C6   DT A   4     -16.024  17.872  76.417  1.00 14.50           C  
ATOM     79  P    DA A   5     -18.123  11.781  78.351  1.00 18.49           P  
ATOM     80  OP1  DA A   5     -18.534  11.585  76.934  1.00 20.11           O  
ATOM     81  OP2  DA A   5     -19.064  11.515  79.501  1.00 23.11           O  
ATOM     82  O5'  DA A   5     -16.800  10.935  78.338  1.00 19.07           O  
ATOM     83  C5'  DA A   5     -16.165  10.749  79.608  1.00 18.41           C  
ATOM     84  C4'  DA A   5     -15.381   9.457  79.628  1.00 17.25           C  
ATOM     85  O4'  DA A   5     -14.286   9.432  78.657  1.00 18.59           O  
ATOM     86  C3'  DA A   5     -14.743   9.216  80.999  1.00 15.23           C  
ATOM     87  O3'  DA A   5     -14.925   7.810  81.222  1.00 17.83           O  
ATOM     88  C2'  DA A   5     -13.291   9.580  80.809  1.00 15.12           C  
ATOM     89  C1'  DA A   5     -13.089   9.097  79.373  1.00 16.61           C  
ATOM     90  N9   DA A   5     -11.968   9.668  78.642  1.00 14.35           N  
ATOM     91  C8   DA A   5     -11.108   8.941  77.856  1.00 14.87           C  
ATOM     92  N7   DA A   5     -10.192   9.667  77.261  1.00 15.33           N  
ATOM     93  C5   DA A   5     -10.474  10.958  77.679  1.00 13.24           C  
ATOM     94  C6   DA A   5      -9.907  12.199  77.342  1.00 15.29           C  
ATOM     95  N6   DA A   5      -8.872  12.346  76.504  1.00 13.98           N  
ATOM     96  N1   DA A   5     -10.425  13.300  77.928  1.00 14.40           N  
ATOM     97  C2   DA A   5     -11.508  13.170  78.729  1.00 15.47           C  
ATOM     98  N3   DA A   5     -12.141  12.056  79.098  1.00 13.98           N  
ATOM     99  C4   DA A   5     -11.586  10.978  78.505  1.00 13.94           C  
ATOM    100  P    DG A   6     -14.487   7.120  82.609  1.00 21.16           P  
ATOM    101  OP1  DG A   6     -15.503   6.108  82.901  1.00 24.03           O  
ATOM    102  OP2  DG A   6     -14.184   8.162  83.632  1.00 23.30           O  
ATOM    103  O5'  DG A   6     -13.083   6.539  82.186  1.00 19.32           O  
ATOM    104  C5'  DG A   6     -12.967   5.270  81.461  1.00 19.27           C  
ATOM    105  C4'  DG A   6     -11.552   4.761  81.615  1.00 15.80           C  
ATOM    106  O4'  DG A   6     -10.667   5.620  80.883  1.00 17.27           O  
ATOM    107  C3'  DG A   6     -11.095   4.819  83.086  1.00 14.33           C  
ATOM    108  O3'  DG A   6     -10.509   3.583  83.501  1.00 17.94           O  
ATOM    109  C2'  DG A   6     -10.069   5.948  83.128  1.00 16.88           C  
ATOM    110  C1'  DG A   6      -9.559   5.980  81.681  1.00 17.36           C  
ATOM    111  N9   DG A   6      -9.087   7.250  81.154  1.00 13.63           N  
ATOM    112  C8   DG A   6      -9.472   8.520  81.525  1.00 12.67           C  
ATOM    113  N7   DG A   6      -8.949   9.455  80.763  1.00 13.29           N  
ATOM    114  C5   DG A   6      -8.107   8.760  79.901  1.00 13.49           C  
ATOM    115  C6   DG A   6      -7.318   9.228  78.809  1.00 13.23           C  
ATOM    116  O6   DG A   6      -7.081  10.381  78.472  1.00 13.31           O  
ATOM    117  N1   DG A   6      -6.720   8.179  78.118  1.00 12.45           N  
ATOM    118  C2   DG A   6      -6.882   6.863  78.396  1.00 15.39           C  
ATOM    119  N2   DG A   6      -6.137   6.027  77.650  1.00 13.61           N  
ATOM    120  N3   DG A   6      -7.644   6.402  79.389  1.00 15.21           N  
ATOM    121  C4   DG A   6      -8.247   7.400  80.071  1.00 13.37           C  
ATOM    122  P    DG A   7     -10.988   2.793  84.854  1.00 16.10           P  
ATOM    123  OP1  DG A   7     -12.298   3.336  85.324  1.00 18.27           O  
ATOM    124  OP2  DG A   7      -9.854   2.775  85.744  1.00 19.29           O  
ATOM    125  O5'  DG A   7     -11.285   1.346  84.277  1.00 16.24           O  
ATOM    126  C5'  DG A   7     -12.404   1.093  83.411  1.00 17.20           C  
ATOM    127  C4'  DG A   7     -12.141  -0.099  82.510  1.00 16.48           C  
ATOM    128  O4'  DG A   7     -11.021   0.218  81.661  1.00 17.49           O  
ATOM    129  C3'  DG A   7     -11.754  -1.406  83.187  1.00 16.63           C  
ATOM    130  O3'  DG A   7     -12.065  -2.537  82.359  1.00 19.79           O  
ATOM    131  C2'  DG A   7     -10.232  -1.312  83.221  1.00 14.69           C  
ATOM    132  C1'  DG A   7      -9.929  -0.654  81.909  1.00 16.37           C  
ATOM    133  N9   DG A   7      -8.697   0.119  81.897  1.00 14.34           N  
ATOM    134  C8   DG A   7      -8.559   1.486  81.860  1.00 12.89           C  
ATOM    135  N7   DG A   7      -7.309   1.877  81.896  1.00 15.21           N  
ATOM    136  C5   DG A   7      -6.579   0.697  81.910  1.00 12.85           C  
ATOM    137  C6   DG A   7      -5.160   0.485  81.886  1.00 13.00           C  
ATOM    138  O6   DG A   7      -4.249   1.327  81.913  1.00 16.54           O  
ATOM    139  N1   DG A   7      -4.845  -0.865  81.938  1.00 14.67           N  
ATOM    140  C2   DG A   7      -5.773  -1.892  82.015  1.00 12.18           C  
ATOM    141  N2   DG A   7      -5.290  -3.109  82.093  1.00 14.06           N  
ATOM    142  N3   DG A   7      -7.090  -1.713  81.980  1.00 13.19           N  
ATOM    143  C4   DG A   7      -7.418  -0.399  81.926  1.00 13.14           C  
ATOM    144  P    DC A   8     -13.124  -3.678  82.903  1.00 23.51           P  
ATOM    145  OP1  DC A   8     -13.664  -4.345  81.713  1.00 29.88           O  
ATOM    146  OP2  DC A   8     -13.992  -3.042  83.911  1.00 23.79           O  
ATOM    147  O5'  DC A   8     -12.213  -4.585  83.856  1.00 20.58           O  
ATOM    148  C5'  DC A   8     -11.253  -5.482  83.289  1.00 18.08           C  
ATOM    149  C4'  DC A   8     -10.269  -5.876  84.372  1.00 22.66           C  
ATOM    150  O4'  DC A   8      -9.369  -4.758  84.629  1.00 20.75           O  
ATOM    151  C3'  DC A   8     -10.921  -6.196  85.724  1.00 21.26           C  
ATOM    152  O3'  DC A   8     -10.107  -7.187  86.373  1.00 23.33           O  
ATOM    153  C2'  DC A   8     -10.734  -4.933  86.537  1.00 18.84           C  
ATOM    154  C1'  DC A   8      -9.355  -4.496  86.057  1.00 17.35           C  
ATOM    155  N1   DC A   8      -8.971  -3.098  86.225  1.00 15.91           N  
ATOM    156  C2   DC A   8      -7.650  -2.748  85.933  1.00 15.57           C  
ATOM    157  O2   DC A   8      -6.857  -3.642  85.600  1.00 17.60           O  
ATOM    158  N3   DC A   8      -7.313  -1.442  85.883  1.00 14.51           N  
ATOM    159  C4   DC A   8      -8.219  -0.503  86.174  1.00 14.84           C  
ATOM    160  N4   DC A   8      -7.834   0.780  86.133  1.00 17.55           N  
ATOM    161  C5   DC A   8      -9.557  -0.835  86.529  1.00 15.98           C  
ATOM    162  C6   DC A   8      -9.893  -2.131  86.513  1.00 15.54           C  
ATOM    163  P    DG A   9     -10.512  -8.758  86.354  1.00 25.44           P  
ATOM    164  OP1  DG A   9     -10.885  -9.142  84.947  1.00 28.27           O  
ATOM    165  OP2  DG A   9     -11.484  -8.919  87.420  1.00 30.14           O  
ATOM    166  O5'  DG A   9      -9.125  -9.351  86.864  1.00 21.17           O  
ATOM    167  C5'  DG A   9      -8.032  -9.527  85.978  1.00 20.92           C  
ATOM    168  C4'  DG A   9      -6.749  -9.213  86.707  1.00 16.58           C  
ATOM    169  O4'  DG A   9      -6.767  -7.793  86.994  1.00 15.84           O  
ATOM    170  C3'  DG A   9      -6.540  -9.950  88.026  1.00 13.96           C  
ATOM    171  O3'  DG A   9      -5.158 -10.340  88.111  1.00 16.71           O  
ATOM    172  C2'  DG A   9      -6.871  -8.896  89.067  1.00 13.91           C  
ATOM    173  C1'  DG A   9      -6.413  -7.610  88.393  1.00 14.27           C  
ATOM    174  N9   DG A   9      -7.014  -6.357  88.849  1.00 15.36           N  
ATOM    175  C8   DG A   9      -8.332  -6.112  89.144  1.00 14.64           C  
ATOM    176  N7   DG A   9      -8.591  -4.842  89.318  1.00 17.09           N  
ATOM    177  C5   DG A   9      -7.364  -4.215  89.145  1.00 13.22           C  
ATOM    178  C6   DG A   9      -7.021  -2.835  89.157  1.00 16.20           C  
ATOM    179  O6   DG A   9      -7.740  -1.862  89.454  1.00 17.50           O  
ATOM    180  N1   DG A   9      -5.659  -2.641  88.910  1.00 14.66           N  
ATOM    181  C2   DG A   9      -4.766  -3.633  88.619  1.00 13.93           C  
ATOM    182  N2   DG A   9      -3.513  -3.257  88.406  1.00 15.84           N  
ATOM    183  N3   DG A   9      -5.080  -4.921  88.592  1.00 13.60           N  
ATOM    184  C4   DG A   9      -6.400  -5.127  88.778  1.00 14.20           C  
TER     185       DG A   9                                                      
ATOM    186  O5'  DC B   1       0.202   9.305  72.949  1.00 22.82           O  
ATOM    187  C5'  DC B   1       0.850   8.136  73.413  1.00 20.82           C  
ATOM    188  C4'  DC B   1      -0.160   7.024  73.391  1.00 14.46           C  
ATOM    189  O4'  DC B   1      -1.191   7.346  74.319  1.00 16.48           O  
ATOM    190  C3'  DC B   1      -0.865   6.730  72.070  1.00 15.11           C  
ATOM    191  O3'  DC B   1      -0.913   5.321  71.822  1.00 15.68           O  
ATOM    192  C2'  DC B   1      -2.241   7.382  72.205  1.00 15.80           C  
ATOM    193  C1'  DC B   1      -2.490   7.292  73.704  1.00 15.07           C  
ATOM    194  N1   DC B   1      -3.305   8.356  74.322  1.00 13.35           N  
ATOM    195  C2   DC B   1      -4.287   8.011  75.261  1.00 16.12           C  
ATOM    196  O2   DC B   1      -4.543   6.791  75.455  1.00 15.28           O  
ATOM    197  N3   DC B   1      -5.026   9.006  75.829  1.00 12.88           N  
ATOM    198  C4   DC B   1      -4.702  10.281  75.618  1.00 15.22           C  
ATOM    199  N4   DC B   1      -5.366  11.204  76.324  1.00 15.29           N  
ATOM    200  C5   DC B   1      -3.670  10.657  74.691  1.00 14.32           C  
ATOM    201  C6   DC B   1      -3.022   9.671  74.062  1.00 12.58           C  
ATOM    202  P    DG B   2      -1.387   4.740  70.433  1.00 16.35           P  
ATOM    203  OP1  DG B   2      -0.738   3.436  70.122  1.00 16.79           O  
ATOM    204  OP2  DG B   2      -1.353   5.800  69.338  1.00 17.47           O  
ATOM    205  O5'  DG B   2      -2.904   4.504  70.652  1.00 13.17           O  
ATOM    206  C5'  DG B   2      -3.303   3.545  71.623  1.00 14.86           C  
ATOM    207  C4'  DG B   2      -4.795   3.590  71.741  1.00 12.52           C  
ATOM    208  O4'  DG B   2      -5.163   4.815  72.406  1.00 14.89           O  
ATOM    209  C3'  DG B   2      -5.571   3.601  70.416  1.00 14.57           C  
ATOM    210  O3'  DG B   2      -6.617   2.628  70.501  1.00 16.68           O  
ATOM    211  C2'  DG B   2      -6.179   4.989  70.337  1.00 15.51           C  
ATOM    212  C1'  DG B   2      -6.349   5.292  71.825  1.00 14.30           C  
ATOM    213  N9   DG B   2      -6.506   6.685  72.240  1.00 14.90           N  
ATOM    214  C8   DG B   2      -5.949   7.810  71.686  1.00 15.87           C  
ATOM    215  N7   DG B   2      -6.266   8.901  72.325  1.00 18.01           N  
ATOM    216  C5   DG B   2      -7.124   8.479  73.332  1.00 16.34           C  
ATOM    217  C6   DG B   2      -7.817   9.225  74.318  1.00 16.35           C  
ATOM    218  O6   DG B   2      -7.803  10.449  74.512  1.00 17.54           O  
ATOM    219  N1   DG B   2      -8.626   8.412  75.110  1.00 15.71           N  
ATOM    220  C2   DG B   2      -8.771   7.057  74.953  1.00 14.94           C  
ATOM    221  N2   DG B   2      -9.573   6.444  75.839  1.00 16.43           N  
ATOM    222  N3   DG B   2      -8.082   6.339  74.068  1.00 15.58           N  
ATOM    223  C4   DG B   2      -7.323   7.122  73.265  1.00 16.68           C  
ATOM    224  P    DT B   3      -6.771   1.400  69.410  1.00 16.51           P  
ATOM    225  OP1  DT B   3      -5.399   1.011  68.888  1.00 18.43           O  
ATOM    226  OP2  DT B   3      -7.885   1.678  68.504  1.00 16.90           O  
ATOM    227  O5'  DT B   3      -7.437   0.277  70.357  1.00 16.68           O  
ATOM    228  C5'  DT B   3      -6.638  -0.304  71.452  1.00 14.88           C  
ATOM    229  C4'  DT B   3      -7.445  -1.317  72.223  1.00 16.54           C  
ATOM    230  O4'  DT B   3      -8.547  -0.674  72.887  1.00 17.10           O  
ATOM    231  C3'  DT B   3      -8.051  -2.420  71.365  1.00 17.16           C  
ATOM    232  O3'  DT B   3      -8.060  -3.598  72.147  1.00 15.92           O  
ATOM    233  C2'  DT B   3      -9.470  -1.945  71.122  1.00 16.95           C  
ATOM    234  C1'  DT B   3      -9.790  -1.166  72.394  1.00 18.51           C  
ATOM    235  N1   DT B   3     -10.713  -0.018  72.236  1.00 20.96           N  
ATOM    236  C2   DT B   3     -12.056  -0.257  72.430  1.00 20.78           C  
ATOM    237  O2   DT B   3     -12.496  -1.331  72.814  1.00 26.57           O  
ATOM    238  N3   DT B   3     -12.858   0.847  72.277  1.00 22.07           N  
ATOM    239  C4   DT B   3     -12.467   2.121  71.906  1.00 23.40           C  
ATOM    240  O4   DT B   3     -13.299   3.016  71.837  1.00 26.99           O  
ATOM    241  C5   DT B   3     -11.049   2.295  71.709  1.00 19.39           C  
ATOM    242  C7   DT B   3     -10.529   3.637  71.296  1.00 20.94           C  
ATOM    243  C6   DT B   3     -10.260   1.221  71.849  1.00 20.29           C  
ATOM    244  P    DT B   4      -7.601  -4.951  71.561  1.00 15.58           P  
ATOM    245  OP1  DT B   4      -8.163  -5.172  70.204  1.00 16.18           O  
ATOM    246  OP2  DT B   4      -7.904  -5.993  72.602  1.00 18.70           O  
ATOM    247  O5'  DT B   4      -6.049  -4.761  71.354  1.00 15.25           O  
ATOM    248  C5'  DT B   4      -5.127  -4.451  72.406  1.00 14.38           C  
ATOM    249  C4'  DT B   4      -3.703  -4.735  72.020  1.00 12.25           C  
ATOM    250  O4'  DT B   4      -3.495  -6.169  72.130  1.00 13.37           O  
ATOM    251  C3'  DT B   4      -3.384  -4.333  70.588  1.00 14.28           C  
ATOM    252  O3'  DT B   4      -2.031  -3.916  70.572  1.00 12.92           O  
ATOM    253  C2'  DT B   4      -3.443  -5.634  69.828  1.00 14.71           C  
ATOM    254  C1'  DT B   4      -3.136  -6.699  70.883  1.00 16.15           C  
ATOM    255  N1   DT B   4      -3.888  -7.931  70.709  1.00 12.88           N  
ATOM    256  C2   DT B   4      -3.374  -8.859  69.834  1.00 14.20           C  
ATOM    257  O2   DT B   4      -2.328  -8.691  69.241  1.00 16.23           O  
ATOM    258  N3   DT B   4      -4.158  -9.974  69.646  1.00 11.86           N  
ATOM    259  C4   DT B   4      -5.348 -10.260  70.274  1.00 10.84           C  
ATOM    260  O4   DT B   4      -5.888 -11.344  70.095  1.00 15.25           O  
ATOM    261  C5   DT B   4      -5.821  -9.254  71.183  1.00 15.19           C  
ATOM    262  C7   DT B   4      -7.115  -9.480  71.901  1.00 14.71           C  
ATOM    263  C6   DT B   4      -5.114  -8.128  71.308  1.00 15.67           C  
ATOM    264  P    DA B   5      -1.646  -2.574  69.868  1.00 13.96           P  
ATOM    265  OP1  DA B   5      -2.468  -2.407  68.650  1.00 16.11           O  
ATOM    266  OP2  DA B   5      -0.205  -2.589  69.780  1.00 13.79           O  
ATOM    267  O5'  DA B   5      -2.038  -1.433  70.870  1.00 14.25           O  
ATOM    268  C5'  DA B   5      -1.325  -1.299  72.120  1.00 13.94           C  
ATOM    269  C4'  DA B   5      -1.506   0.097  72.681  1.00 13.12           C  
ATOM    270  O4'  DA B   5      -2.921   0.328  72.993  1.00 15.16           O  
ATOM    271  C3'  DA B   5      -0.759   0.339  73.978  1.00 12.37           C  
ATOM    272  O3'  DA B   5      -0.326   1.691  73.872  1.00 15.74           O  
ATOM    273  C2'  DA B   5      -1.797   0.045  75.052  1.00 14.86           C  
ATOM    274  C1'  DA B   5      -3.032   0.609  74.399  1.00 14.33           C  
ATOM    275  N9   DA B   5      -4.311   0.044  74.843  1.00 12.71           N  
ATOM    276  C8   DA B   5      -5.447   0.802  74.976  1.00 13.54           C  
ATOM    277  N7   DA B   5      -6.525   0.104  75.249  1.00 12.71           N  
ATOM    278  C5   DA B   5      -6.062  -1.196  75.336  1.00 14.15           C  
ATOM    279  C6   DA B   5      -6.710  -2.388  75.666  1.00 13.62           C  
ATOM    280  N6   DA B   5      -8.015  -2.467  75.832  1.00 14.65           N  
ATOM    281  N1   DA B   5      -5.980  -3.522  75.648  1.00 13.62           N  
ATOM    282  C2   DA B   5      -4.652  -3.413  75.478  1.00 12.19           C  
ATOM    283  N3   DA B   5      -3.939  -2.359  75.086  1.00 15.11           N  
ATOM    284  C4   DA B   5      -4.696  -1.251  75.116  1.00 12.93           C  
ATOM    285  P    DG B   6       0.547   2.343  75.069  1.00 17.15           P  
ATOM    286  OP1  DG B   6       1.300   3.444  74.411  1.00 19.33           O  
ATOM    287  OP2  DG B   6       1.266   1.284  75.830  1.00 18.55           O  
ATOM    288  O5'  DG B   6      -0.547   2.949  76.031  1.00 15.17           O  
ATOM    289  C5'  DG B   6      -1.206   4.207  75.731  1.00 16.46           C  
ATOM    290  C4'  DG B   6      -1.923   4.678  76.972  1.00 15.61           C  
ATOM    291  O4'  DG B   6      -3.085   3.859  77.162  1.00 16.12           O  
ATOM    292  C3'  DG B   6      -1.121   4.565  78.268  1.00 14.64           C  
ATOM    293  O3'  DG B   6      -1.136   5.821  78.950  1.00 14.56           O  
ATOM    294  C2'  DG B   6      -1.856   3.487  79.048  1.00 14.47           C  
ATOM    295  C1'  DG B   6      -3.261   3.546  78.518  1.00 15.37           C  
ATOM    296  N9   DG B   6      -4.023   2.284  78.570  1.00 13.39           N  
ATOM    297  C8   DG B   6      -3.513   1.002  78.515  1.00 14.92           C  
ATOM    298  N7   DG B   6      -4.436   0.083  78.519  1.00 14.07           N  
ATOM    299  C5   DG B   6      -5.635   0.790  78.531  1.00 13.53           C  
ATOM    300  C6   DG B   6      -6.982   0.329  78.522  1.00 12.86           C  
ATOM    301  O6   DG B   6      -7.400  -0.841  78.561  1.00 16.25           O  
ATOM    302  N1   DG B   6      -7.884   1.381  78.594  1.00 13.41           N  
ATOM    303  C2   DG B   6      -7.547   2.704  78.619  1.00 15.83           C  
ATOM    304  N2   DG B   6      -8.579   3.561  78.669  1.00 17.73           N  
ATOM    305  N3   DG B   6      -6.299   3.153  78.617  1.00 13.82           N  
ATOM    306  C4   DG B   6      -5.402   2.149  78.607  1.00 12.65           C  
ATOM    307  P    DG B   7       0.220   6.574  79.308  1.00 16.40           P  
ATOM    308  OP1  DG B   7       1.409   6.042  78.501  1.00 17.72           O  
ATOM    309  OP2  DG B   7       0.431   6.687  80.768  1.00 16.38           O  
ATOM    310  O5'  DG B   7      -0.006   8.027  78.771  1.00 18.04           O  
ATOM    311  C5'  DG B   7      -0.129   8.291  77.360  1.00 15.57           C  
ATOM    312  C4'  DG B   7      -1.023   9.494  77.158  1.00 14.77           C  
ATOM    313  O4'  DG B   7      -2.387   9.216  77.533  1.00 14.22           O  
ATOM    314  C3'  DG B   7      -0.657  10.758  77.910  1.00 18.20           C  
ATOM    315  O3'  DG B   7      -1.034  11.849  77.052  1.00 16.43           O  
ATOM    316  C2'  DG B   7      -1.542  10.682  79.148  1.00 16.28           C  
ATOM    317  C1'  DG B   7      -2.805  10.057  78.617  1.00 15.47           C  
ATOM    318  N9   DG B   7      -3.555   9.255  79.577  1.00 14.85           N  
ATOM    319  C8   DG B   7      -3.625   7.887  79.692  1.00 17.26           C  
ATOM    320  N7   DG B   7      -4.361   7.495  80.700  1.00 15.31           N  
ATOM    321  C5   DG B   7      -4.838   8.669  81.259  1.00 14.21           C  
ATOM    322  C6   DG B   7      -5.698   8.873  82.369  1.00 14.20           C  
ATOM    323  O6   DG B   7      -6.296   8.029  83.062  1.00 18.93           O  
ATOM    324  N1   DG B   7      -5.987  10.216  82.534  1.00 13.80           N  
ATOM    325  C2   DG B   7      -5.393  11.248  81.852  1.00 13.30           C  
ATOM    326  N2   DG B   7      -5.719  12.480  82.268  1.00 14.27           N  
ATOM    327  N3   DG B   7      -4.611  11.082  80.805  1.00 16.48           N  
ATOM    328  C4   DG B   7      -4.383   9.770  80.555  1.00 12.52           C  
ATOM    329  P    DC B   8       0.075  12.935  76.544  1.00 17.32           P  
ATOM    330  OP1  DC B   8      -0.557  13.696  75.501  1.00 22.16           O  
ATOM    331  OP2  DC B   8       1.393  12.306  76.343  1.00 16.86           O  
ATOM    332  O5'  DC B   8       0.356  13.879  77.816  1.00 17.60           O  
ATOM    333  C5'  DC B   8      -0.654  14.816  78.259  1.00 14.72           C  
ATOM    334  C4'  DC B   8      -0.389  15.193  79.697  1.00 17.32           C  
ATOM    335  O4'  DC B   8      -0.806  14.067  80.493  1.00 16.09           O  
ATOM    336  C3'  DC B   8       1.074  15.454  80.054  1.00 17.20           C  
ATOM    337  O3'  DC B   8       1.062  16.486  81.046  1.00 17.54           O  
ATOM    338  C2'  DC B   8       1.521  14.172  80.740  1.00 15.91           C  
ATOM    339  C1'  DC B   8       0.254  13.771  81.434  1.00 14.17           C  
ATOM    340  N1   DC B   8       0.099  12.375  81.811  1.00 15.08           N  
ATOM    341  C2   DC B   8      -0.995  12.076  82.609  1.00 16.31           C  
ATOM    342  O2   DC B   8      -1.682  13.015  83.048  1.00 16.26           O  
ATOM    343  N3   DC B   8      -1.301  10.781  82.855  1.00 13.69           N  
ATOM    344  C4   DC B   8      -0.541   9.805  82.344  1.00 14.91           C  
ATOM    345  N4   DC B   8      -0.895   8.532  82.569  1.00 15.32           N  
ATOM    346  C5   DC B   8       0.612  10.086  81.572  1.00 15.19           C  
ATOM    347  C6   DC B   8       0.903  11.377  81.340  1.00 13.26           C  
ATOM    348  P    DG B   9       1.635  17.938  80.770  1.00 22.21           P  
ATOM    349  OP1  DG B   9       0.830  18.560  79.720  1.00 28.73           O  
ATOM    350  OP2  DG B   9       3.107  17.823  80.722  1.00 28.41           O  
ATOM    351  O5'  DG B   9       1.240  18.696  82.120  1.00 21.60           O  
ATOM    352  C5'  DG B   9      -0.161  18.988  82.371  1.00 17.04           C  
ATOM    353  C4'  DG B   9      -0.488  18.754  83.830  1.00 18.99           C  
ATOM    354  O4'  DG B   9      -0.474  17.351  84.184  1.00 15.55           O  
ATOM    355  C3'  DG B   9       0.468  19.459  84.783  1.00 17.87           C  
ATOM    356  O3'  DG B   9      -0.291  20.047  85.844  1.00 18.89           O  
ATOM    357  C2'  DG B   9       1.396  18.343  85.178  1.00 14.01           C  
ATOM    358  C1'  DG B   9       0.429  17.155  85.246  1.00 14.96           C  
ATOM    359  N9   DG B   9       1.034  15.849  85.012  1.00 14.27           N  
ATOM    360  C8   DG B   9       2.073  15.573  84.150  1.00 11.81           C  
ATOM    361  N7   DG B   9       2.347  14.305  84.076  1.00 14.54           N  
ATOM    362  C5   DG B   9       1.401  13.698  84.895  1.00 14.78           C  
ATOM    363  C6   DG B   9       1.186  12.332  85.199  1.00 14.54           C  
ATOM    364  O6   DG B   9       1.776  11.348  84.755  1.00 16.12           O  
ATOM    365  N1   DG B   9       0.140  12.168  86.108  1.00 13.72           N  
ATOM    366  C2   DG B   9      -0.561  13.191  86.697  1.00 13.48           C  
ATOM    367  N2   DG B   9      -1.567  12.834  87.530  1.00 16.96           N  
ATOM    368  N3   DG B   9      -0.431  14.456  86.351  1.00 13.67           N  
ATOM    369  C4   DG B   9       0.611  14.645  85.511  1.00 12.69           C  
TER     370       DG B   9                                                      
HETATM  371 BA  A BA A 101      -5.130   5.736  84.074  0.34 15.37          BA  
HETATM  372 BA  B BA A 101      -4.274   3.591  83.724  0.16 13.91          BA  
HETATM  373 BA    BA A 102     -20.272  11.958  81.642  0.40 17.98          BA  
HETATM  374 BA    BA A 103     -22.178  21.985  78.060  0.35 20.76          BA  
HETATM  375 BA    BA A 104     -19.948   7.281  77.457  0.35 17.53          BA  
HETATM  376 BA    BA A 105      -7.869  14.475  71.526  0.45 31.37          BA  
HETATM  377 BA    BA B 101      -0.550   1.921  67.878  0.50 15.36          BA  
HETATM  378 BA  A BA B 102     -13.459  -3.747  74.570  0.30 20.00          BA  
HETATM  379 BA  B BA B 102     -13.791  -3.347  73.550  0.40 25.51          BA  
HETATM  380 BA    BA B 103      -1.994  -8.805  66.448  0.50 19.64          BA  
HETATM  381 BA    BA B 104     -10.680  -9.418  74.459  0.30 21.99          BA  
HETATM  382  O   HOH A 201      -6.308  -6.016  85.131  1.00 30.42           O  
HETATM  383  O   HOH A 202     -14.847   4.310  84.627  1.00 35.83           O  
HETATM  384  O   HOH A 203     -10.175  -1.407  90.230  1.00 28.92           O  
HETATM  385  O   HOH A 204     -13.500  -2.298  86.374  1.00 36.04           O  
HETATM  386  O   HOH A 205     -18.165  23.478  75.800  1.00 22.22           O  
HETATM  387  O   HOH A 206     -16.686  13.786  73.211  1.00 22.62           O  
HETATM  388  O   HOH A 207      -9.629   6.204  68.545  1.00 38.68           O  
HETATM  389  O   HOH A 208     -13.637   9.401  70.063  1.00 35.87           O  
HETATM  390  O   HOH A 209     -20.571   9.888  76.587  1.00 30.28           O  
HETATM  391  O   HOH A 210     -11.159   5.847  78.247  1.00 16.51           O  
HETATM  392  O   HOH A 211     -17.547   8.528  76.561  1.00 29.31           O  
HETATM  393  O   HOH A 212     -16.957  11.507  74.730  1.00 20.85           O  
HETATM  394  O   HOH A 213     -16.043   6.072  70.985  1.00 36.75           O  
HETATM  395  O   HOH A 214     -10.835   2.189  88.206  1.00 29.80           O  
HETATM  396  O   HOH A 215      -2.944  -6.616  88.362  1.00 28.32           O  
HETATM  397  O   HOH A 216     -17.949   6.232  81.677  1.00 30.53           O  
HETATM  398  O   HOH A 217     -11.518  -2.859  75.693  1.00 21.17           O  
HETATM  399  O   HOH A 218     -11.663  18.174  73.819  1.00 33.38           O  
HETATM  400  O   HOH A 219     -16.887   2.274  75.267  1.00 26.86           O  
HETATM  401  O   HOH A 220     -14.385  -1.189  75.629  1.00 25.07           O  
HETATM  402  O   HOH A 221     -21.431  18.280  76.531  1.00 15.96           O  
HETATM  403  O   HOH A 222     -20.386  21.054  76.430  1.00 29.39           O  
HETATM  404  O   HOH A 223     -11.161  -4.485  90.416  1.00 27.20           O  
HETATM  405  O   HOH A 224     -13.808   1.713  87.066  1.00 30.33           O  
HETATM  406  O   HOH A 225      -8.990  13.987  69.467  1.00 33.12           O  
HETATM  407  O   HOH A 226      -8.389  -3.938  80.779  1.00 29.41           O  
HETATM  408  O   HOH A 227      -6.961  -5.264  83.174  1.00 29.85           O  
HETATM  409  O   HOH A 228      -2.425   3.441  82.722  1.00 40.01           O  
HETATM  410  O   HOH A 229     -11.383 -11.734  88.143  1.00 25.21           O  
HETATM  411  O   HOH A 230      -6.726  13.489  70.729  1.00 25.62           O  
HETATM  412  O   HOH A 231     -19.119   8.458  73.938  1.00 38.54           O  
HETATM  413  O   HOH A 232     -20.521  13.305  75.548  1.00 22.90           O  
HETATM  414  O   HOH A 233     -11.069  -4.373  79.326  1.00 27.34           O  
HETATM  415  O   HOH A 234      -9.313  14.913  73.200  1.00 30.31           O  
HETATM  416  O   HOH A 235     -16.665   9.219  84.967  1.00 40.92           O  
HETATM  417  O   HOH A 236     -20.372   2.331  76.309  1.00 28.63           O  
HETATM  418  O   HOH A 237     -22.048  19.386  78.200  1.00 31.13           O  
HETATM  419  O   HOH A 238     -21.683  13.293  79.843  1.00 28.20           O  
HETATM  420  O   HOH A 239     -18.011  13.869  81.700  1.00 40.98           O  
HETATM  421  O   HOH A 240     -15.798  -0.468  84.709  1.00 33.27           O  
HETATM  422  O   HOH A 241     -17.538   9.955  71.414  1.00 35.45           O  
HETATM  423  O   HOH A 242     -19.489  17.713  74.558  1.00 34.46           O  
HETATM  424  O   HOH A 243     -22.129  10.349  80.280  1.00 31.73           O  
HETATM  425  O   HOH A 244     -17.076   3.647  84.627  1.00 38.79           O  
HETATM  426  O   HOH A 245     -18.820   5.863  75.234  1.00 38.40           O  
HETATM  427  O   HOH A 246     -14.841  -3.129  78.728  1.00 36.27           O  
HETATM  428  O   HOH A 247     -11.597  13.041  69.369  1.00 32.40           O  
HETATM  429  O   HOH A 248     -10.624  15.475  71.188  1.00 36.00           O  
HETATM  430  O   HOH A 249      -4.419  -6.974  84.205  0.50 28.35           O  
HETATM  431  O   HOH A 250     -14.448  -6.485  87.195  1.00 37.30           O  
HETATM  432  O   HOH A 251     -17.358  -0.150  76.077  1.00 36.01           O  
HETATM  433  O   HOH A 252      -6.849 -13.899  87.338  1.00 27.40           O  
HETATM  434  O   HOH A 253     -17.807   5.092  73.042  1.00 41.45           O  
HETATM  435  O   HOH A 254     -12.965  -5.579  89.511  1.00 34.91           O  
HETATM  436  O   HOH A 255     -17.930  -3.848  81.467  1.00 34.26           O  
HETATM  437  O   HOH A 256      -9.629 -11.856  90.453  1.00 20.34           O  
HETATM  438  O   HOH A 257     -13.732  -4.253  77.141  1.00 33.41           O  
HETATM  439  O   HOH A 258      -1.302  -7.264  86.853  1.00 29.30           O  
HETATM  440  O  AHOH A 259     -21.362   6.573  75.316  0.70 18.76           O  
HETATM  441  O  BHOH A 259     -20.156   7.324  76.175  0.30 16.11           O  
HETATM  442  O   HOH A 260     -21.568  14.195  82.652  1.00 22.74           O  
HETATM  443  O   HOH A 261     -19.849  12.260  84.218  1.00 25.40           O  
HETATM  444  O   HOH A 262     -14.372   6.714  67.488  0.50 28.18           O  
HETATM  445  O   HOH A 263     -11.758   7.087  66.308  1.00 37.83           O  
HETATM  446  O   HOH A 264      -3.277   4.697  85.729  1.00 21.58           O  
HETATM  447  O   HOH A 265     -20.752  23.369  79.396  1.00 34.97           O  
HETATM  448  O   HOH A 266     -21.582  23.731  75.905  1.00 27.00           O  
HETATM  449  O   HOH A 267     -23.045  21.154  80.476  1.00 36.42           O  
HETATM  450  O   HOH A 268     -13.182  -7.824  77.114  1.00 24.96           O  
HETATM  451  O   HOH A 269     -23.352  24.356  80.621  1.00 30.35           O  
HETATM  452  O   HOH B 201      -2.694  14.575  75.109  1.00 30.85           O  
HETATM  453  O   HOH B 202       3.689   1.559  76.324  1.00 32.47           O  
HETATM  454  O   HOH B 203      -2.890   1.032  69.276  1.00 26.32           O  
HETATM  455  O   HOH B 204       1.624  11.296  74.007  1.00 40.08           O  
HETATM  456  O   HOH B 205       0.152   0.332  77.945  1.00 25.61           O  
HETATM  457  O   HOH B 206      -6.971  -4.030  68.176  1.00 23.68           O  
HETATM  458  O   HOH B 207       0.867   7.204  69.272  1.00 45.95           O  
HETATM  459  O   HOH B 208      -0.911  12.644  73.107  1.00 33.95           O  
HETATM  460  O   HOH B 209     -15.260  -0.295  72.329  1.00 50.49           O  
HETATM  461  O   HOH B 210      -8.736   3.994  67.508  1.00 42.92           O  
HETATM  462  O   HOH B 211      -2.283  15.604  83.194  1.00 20.33           O  
HETATM  463  O   HOH B 212       2.640  10.009  75.742  1.00 32.27           O  
HETATM  464  O   HOH B 213      -5.082  -1.767  68.505  1.00 20.83           O  
HETATM  465  O   HOH B 214       3.978   3.097  74.390  1.00 32.67           O  
HETATM  466  O   HOH B 215     -10.396  -6.996  72.894  1.00 27.36           O  
HETATM  467  O   HOH B 216       1.628   3.342  71.729  1.00 18.14           O  
HETATM  468  O   HOH B 217      -7.296  -5.887  75.649  1.00 28.28           O  
HETATM  469  O   HOH B 218       3.916  10.933  83.149  1.00 20.93           O  
HETATM  470  O   HOH B 219      -4.919 -13.790  69.394  1.00 20.18           O  
HETATM  471  O   HOH B 220       2.968   7.457  81.413  1.00 36.19           O  
HETATM  472  O   HOH B 221      -0.570   4.283  67.201  0.50 22.18           O  
HETATM  473  O   HOH B 222      -2.922  -4.012  66.476  1.00 16.39           O  
HETATM  474  O   HOH B 223     -14.476   4.078  69.568  1.00 37.15           O  
HETATM  475  O   HOH B 224      -3.677  13.568  79.965  1.00 26.49           O  
HETATM  476  O   HOH B 225      -1.589   5.178  81.988  1.00 29.68           O  
HETATM  477  O   HOH B 226       2.197   5.694  75.822  1.00 22.65           O  
HETATM  478  O   HOH B 227      -3.758   7.218  69.043  1.00 25.23           O  
HETATM  479  O   HOH B 228      -4.387  13.852  76.136  1.00 36.62           O  
HETATM  480  O   HOH B 229      -2.740 -11.495  67.721  1.00 18.56           O  
HETATM  481  O   HOH B 230      -4.953  11.159  71.222  1.00 23.04           O  
HETATM  482  O   HOH B 231      -1.921  16.293  87.919  1.00 26.28           O  
HETATM  483  O   HOH B 232      -5.045   3.814  75.093  1.00 14.81           O  
HETATM  484  O   HOH B 233      -6.664  12.831  73.431  1.00 23.45           O  
HETATM  485  O   HOH B 234      -2.618  18.816  86.976  1.00 29.55           O  
HETATM  486  O   HOH B 235       4.973  16.192  79.241  1.00 26.69           O  
HETATM  487  O   HOH B 236       3.191  -0.471  74.535  1.00 29.61           O  
HETATM  488  O   HOH B 237      -0.871  -0.439  67.220  0.50 16.93           O  
HETATM  489  O   HOH B 238       1.257  -0.045  69.274  1.00 22.75           O  
HETATM  490  O   HOH B 239     -12.434  -0.359  69.580  1.00 34.72           O  
HETATM  491  O   HOH B 240       0.297  10.059  70.010  1.00 38.45           O  
HETATM  492  O   HOH B 241      -9.680  -4.945  76.580  1.00 23.13           O  
HETATM  493  O   HOH B 242      -3.812  14.648  88.803  1.00 25.09           O  
HETATM  494  O   HOH B 243     -12.392  -4.628  72.170  1.00 31.14           O  
HETATM  495  O   HOH B 244      -4.874  -8.294  66.765  1.00 24.09           O  
HETATM  496  O   HOH B 245       2.257   0.892  71.632  1.00 27.52           O  
HETATM  497  O   HOH B 246       2.552   5.819  70.988  1.00 34.91           O  
HETATM  498  O   HOH B 247      -5.613  -0.996  65.874  1.00 25.31           O  
HETATM  499  O   HOH B 248      -9.431  -3.045  67.260  1.00 36.99           O  
HETATM  500  O   HOH B 249      -4.693   5.504  67.103  1.00 31.13           O  
HETATM  501  O   HOH B 250      -2.438  11.983  71.437  1.00 36.19           O  
HETATM  502  O   HOH B 251       2.254   2.417  67.528  1.00 26.66           O  
HETATM  503  O   HOH B 252       4.199  21.334  83.127  1.00 21.47           O  
HETATM  504  O  AHOH B 253     -15.279  -2.687  70.024  0.50 22.98           O  
HETATM  505  O  BHOH B 253     -15.052  -2.825  73.005  0.50 23.44           O  
HETATM  506  O   HOH B 254       2.723  13.686  72.466  1.00 37.36           O  
HETATM  507  O   HOH B 255       4.485   9.569  73.914  1.00 21.98           O  
HETATM  508  O   HOH B 256      -2.870  10.005  69.348  1.00 30.16           O  
HETATM  509  O   HOH B 257      -4.603  19.138  84.328  0.50 21.88           O  
HETATM  510  O   HOH B 258       3.553  -2.492  76.754  1.00 29.61           O  
HETATM  511  O   HOH B 259      -5.553  15.254  74.223  1.00 27.57           O  
HETATM  512  O   HOH B 260     -11.596  -6.516  75.405  1.00 36.77           O  
HETATM  513  O   HOH B 261      -2.843  -8.269  64.128  1.00 13.04           O  
HETATM  514  O   HOH B 262      -8.789 -11.237  74.560  1.00 20.89           O  
HETATM  515  O   HOH B 263      -2.298 -10.532  64.129  1.00 27.96           O  
HETATM  516  O   HOH B 264      -9.949  -8.903  77.601  1.00 31.80           O  
HETATM  517  O   HOH B 265     -13.035  -9.371  72.753  1.00 36.09           O  
HETATM  518  O   HOH B 266     -12.659  -9.205  75.565  1.00 34.06           O  
HETATM  519  O   HOH B 267     -11.939 -12.170  74.839  1.00 28.07           O  
CONECT   18  375                                                                
CONECT   52  376                                                                
CONECT  138  372                                                                
CONECT  203  377                                                                
CONECT  237  378  379                                                           
CONECT  257  380                                                                
CONECT  323  371                                                                
CONECT  371  323  446                                                           
CONECT  372  138                                                                
CONECT  373  419  420  424  442                                                 
CONECT  373  443                                                                
CONECT  374  403  418  448  449                                                 
CONECT  375   18  390  392  426                                                 
CONECT  375  440                                                                
CONECT  376   52  429  484                                                      
CONECT  377  203  454  489  502                                                 
CONECT  378  237  401  438  494                                                 
CONECT  378  512                                                                
CONECT  379  237  398  401                                                      
CONECT  380  257  480  495  513                                                 
CONECT  380  515                                                                
CONECT  381  466  512  514  516                                                 
CONECT  381  517  519                                                           
CONECT  390  375                                                                
CONECT  392  375                                                                
CONECT  398  379                                                                
CONECT  401  378  379                                                           
CONECT  403  374                                                                
CONECT  418  374                                                                
CONECT  419  373                                                                
CONECT  420  373                                                                
CONECT  424  373                                                                
CONECT  426  375                                                                
CONECT  429  376                                                                
CONECT  438  378                                                                
CONECT  440  375                                                                
CONECT  442  373                                                                
CONECT  443  373                                                                
CONECT  446  371                                                                
CONECT  448  374                                                                
CONECT  449  374                                                                
CONECT  454  377                                                                
CONECT  466  381                                                                
CONECT  480  380                                                                
CONECT  484  376                                                                
CONECT  489  377                                                                
CONECT  494  378                                                                
CONECT  495  380                                                                
CONECT  502  377                                                                
CONECT  512  378  381                                                           
CONECT  513  380                                                                
CONECT  514  381                                                                
CONECT  515  380                                                                
CONECT  516  381                                                                
CONECT  517  381                                                                
CONECT  519  381                                                                
MASTER      472    0    9    0    0    0   17    6  513    2   56    2          
END                                                                             
