HEADER    DNA                                     20-FEB-23   8CMM              
TITLE     RE-PAIRING DNA - BINDING OF A RUTHENIUM PHI COMPLEX TO A DOUBLE       
TITLE    2 MISMATCH                                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DNA (5'-D(*CP*GP*CP*TP*AP*TP*AP*AP*TP*GP*CP*G)-3');        
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE   4 ORGANISM_TAXID: 32630                                                
KEYWDS    DNA MISMATCH, RUTHENIUM, POLYPYRIDYL, INTERCALATION, DNA              
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    T.D.PRIETO OTOYA,C.J.CARDIN,K.M.MCQUAID                               
REVDAT   2   12-JUN-24 8CMM    1       TITLE  COMPND SOURCE JRNL                
REVDAT   2 2                   1       REMARK HET    HETNAM FORMUL              
REVDAT   2 3                   1       LINK   CRYST1 ATOM                       
REVDAT   1   06-MAR-24 8CMM    0                                                
JRNL        AUTH   T.D.PRIETO OTOYA,K.T.MCQUAID,N.G.PATERSON,D.J.CARDIN,        
JRNL        AUTH 2 A.KELLETT,C.J.CARDIN                                         
JRNL        TITL   RE-PAIRING DNA: BINDING OF A RUTHENIUM PHI COMPLEX TO A      
JRNL        TITL 2 DOUBLE MISMATCH                                              
JRNL        REF    CHEM SCI                                   2024              
JRNL        REFN                   ESSN 2041-6539                               
JRNL        DOI    10.1039/D4SC01448K                                           
REMARK   2                                                                      
REMARK   2 RESOLUTION.    0.90 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.8.0415                                      
REMARK   3   AUTHORS     : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER,              
REMARK   3               : NICHOLLS,WINN,LONG,VAGIN                             
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 0.90                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 36.20                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 92.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 27375                          
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) : 0.137                           
REMARK   3   R VALUE            (WORKING SET) : 0.136                           
REMARK   3   FREE R VALUE                     : 0.159                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.900                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1425                            
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) : 0.90                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 0.92                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1096                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 50.95                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.4160                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 60                           
REMARK   3   BIN FREE R VALUE                    : 0.4300                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 0                                       
REMARK   3   NUCLEIC ACID ATOMS       : 243                                     
REMARK   3   HETEROGEN ATOMS          : 93                                      
REMARK   3   SOLVENT ATOMS            : 70                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 10.08                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 11.22                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.05000                                             
REMARK   3    B22 (A**2) : -0.24000                                             
REMARK   3    B33 (A**2) : 0.29000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.018         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.019         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.016         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 0.667         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.983                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.978                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):   430 ; 0.013 ; 0.013       
REMARK   3   BOND LENGTHS OTHERS               (A):   209 ; 0.003 ; 0.018       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):   679 ; 2.078 ; 2.130       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):   477 ; 0.662 ; 1.863       
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):    55 ; 0.102 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):   261 ; 0.042 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):    98 ; 0.001 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   430 ; 0.948 ; 1.194       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):   431 ; 0.947 ; 1.193       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):   680 ; 1.360 ; 2.199       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):   871 ; 2.142 ;20.030       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):   859 ; 1.797 ;19.430       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):   639 ; 4.534 ; 3.000       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS                                                           
REMARK   4                                                                      
REMARK   4 8CMM COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 23-FEB-23.                  
REMARK 100 THE DEPOSITION ID IS D_1292128714.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 23-JAN-23                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7                                  
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : DIAMOND                            
REMARK 200  BEAMLINE                       : I03                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.8260                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS EIGER2 XE 16M              
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DIALS                              
REMARK 200  DATA SCALING SOFTWARE          : DIALS                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 28800                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 0.900                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 36.200                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 92.5                               
REMARK 200  DATA REDUNDANCY                : 12.10                              
REMARK 200  R MERGE                    (I) : 0.04400                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 19.0000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 0.90                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 0.92                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 6.50                               
REMARK 200  R MERGE FOR SHELL          (I) : 2.06100                            
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: SAD                          
REMARK 200 SOFTWARE USED: SHELX                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 56.46                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.82                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.01M MGCL2 HEXAHYDRATE, 0.05M HEPES     
REMARK 280  SODIUM, AND 4M LICL, PH 7, VAPOR DIFFUSION, SITTING DROP,           
REMARK 280  TEMPERATURE 277K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290       5555   X+1/2,Y+1/2,Z+1/2                                       
REMARK 290       6555   -X,-Y+1/2,Z                                             
REMARK 290       7555   -X+1/2,Y,-Z                                             
REMARK 290       8555   X,-Y,-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       15.69750            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       27.09600            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       24.32250            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       27.09600            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       15.69750            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       24.32250            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       15.69750            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       24.32250            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       27.09600            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       24.32250            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       15.69750            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       27.09600            
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: DIMERIC                           
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 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   2 -1.000000  0.000000  0.000000      -31.39500            
REMARK 350   BIOMT2   2  0.000000 -1.000000  0.000000      -24.32250            
REMARK 350   BIOMT3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH A 216  LIES ON A SPECIAL POSITION.                          
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   O3'   DG A    12     O    HOH A   248     8544     2.12            
REMARK 500   N7    DG A     2    LI     LI A   105     1655     2.13            
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     DG A  10   C3' -  O3' -  P   ANGL. DEV. =   7.4 DEGREES          
REMARK 500     DC A  11   O5' -  P   -  OP2 ANGL. DEV. =  -7.0 DEGREES          
REMARK 500     DG A  12   O3' -  P   -  OP1 ANGL. DEV. = -16.0 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     DA A   5         0.07    SIDE CHAIN                              
REMARK 500     DC A  11         0.07    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 268        DISTANCE =  5.90 ANGSTROMS                       
REMARK 525    HOH A 269        DISTANCE =  6.50 ANGSTROMS                       
REMARK 525    HOH A 270        DISTANCE =  7.51 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                               K A 103   K                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH A 213   O                                                      
REMARK 620 2 HOH A 221   O   137.5                                              
REMARK 620 3 HOH A 230   O    88.0  72.7                                        
REMARK 620 4 HOH A 267   O   113.6  95.8  71.3                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                               K A 104   K                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH A 208   O                                                      
REMARK 620 2 HOH A 218   O    64.7                                              
REMARK 620 3 HOH A 224   O    57.7 113.7                                        
REMARK 620 4 HOH A 236   O   103.8  76.9 144.1                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              LI A 105  LI                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH A 208   O                                                      
REMARK 620 2 HOH A 210   O   102.3                                              
REMARK 620 3 HOH A 224   O   109.7 111.4                                        
REMARK 620 N                    1     2                                         
DBREF  8CMM A    1    12  PDB    8CMM     8CMM             1     12             
SEQRES   1 A   12   DC  DG  DC  DT  DA  DT  DA  DA  DT  DG  DC  DG              
HET    V70  A 101      45                                                       
HET    V7F  A 102      45                                                       
HET      K  A 103       1                                                       
HET      K  A 104       1                                                       
HET     LI  A 105       1                                                       
HETNAM     V70 RUTHENIUM POLYPYRIDYL COMPLEX (DELTA ENANTIOMER)                 
HETNAM     V7F RUTHENIUM POLYPYRIDYL COMPLEX (LAMBDA ENANTIOMER)                
HETNAM       K POTASSIUM ION                                                    
HETNAM      LI LITHIUM ION                                                      
FORMUL   2  V70    C38 H24 N6 RU 2+                                             
FORMUL   3  V7F    C38 H24 N6 RU 2+                                             
FORMUL   4    K    2(K 1+)                                                      
FORMUL   6   LI    LI 1+                                                        
FORMUL   7  HOH   *70(H2 O)                                                     
LINK         K     K A 103                 O   HOH A 213     1555   7355  3.06  
LINK         K     K A 103                 O   HOH A 221     1555   4445  3.14  
LINK         K     K A 103                 O   HOH A 230     1555   1555  3.13  
LINK         K     K A 103                 O   HOH A 267     1555   4445  3.10  
LINK         K     K A 104                 O   HOH A 208     1555   1455  3.25  
LINK         K     K A 104                 O   HOH A 218     1555   1555  3.32  
LINK         K     K A 104                 O   HOH A 224     1555   1555  3.21  
LINK         K     K A 104                 O   HOH A 236     1555   1555  3.10  
LINK        LI    LI A 105                 O   HOH A 208     1555   1455  1.93  
LINK        LI    LI A 105                 O   HOH A 210     1555   1555  1.97  
LINK        LI    LI A 105                 O   HOH A 224     1555   1555  1.89  
CRYST1   31.395   48.645   54.192  90.00  90.00  90.00 I 21 21 21    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      0.031852  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.020557  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.018453        0.00000                         
ATOM      1  O5'  DC A   1       9.895  -3.665 -14.556  1.00 22.53           O  
ATOM      2  C5'  DC A   1       8.673  -3.709 -15.313  1.00 18.28           C  
ATOM      3  C4'  DC A   1       7.558  -2.966 -14.610  1.00 13.20           C  
ATOM      4  O4'  DC A   1       6.342  -3.285 -15.285  1.00 13.37           O  
ATOM      5  C3'  DC A   1       7.359  -3.395 -13.165  1.00 12.04           C  
ATOM      6  O3'  DC A   1       7.831  -2.357 -12.299  1.00 13.37           O  
ATOM      7  C2'  DC A   1       5.864  -3.606 -13.014  1.00 12.97           C  
ATOM      8  C1'  DC A   1       5.290  -3.180 -14.342  1.00 11.70           C  
ATOM      9  N1   DC A   1       4.155  -3.972 -14.835  1.00 11.52           N  
ATOM     10  C2   DC A   1       2.987  -3.316 -15.186  1.00 12.23           C  
ATOM     11  O2   DC A   1       2.931  -2.097 -15.018  1.00 15.34           O  
ATOM     12  N3   DC A   1       1.959  -4.033 -15.694  1.00 11.94           N  
ATOM     13  C4   DC A   1       2.061  -5.359 -15.826  1.00 11.67           C  
ATOM     14  N4   DC A   1       1.041  -6.018 -16.355  1.00 12.95           N  
ATOM     15  C5   DC A   1       3.263  -6.047 -15.481  1.00 12.40           C  
ATOM     16  C6   DC A   1       4.268  -5.324 -14.982  1.00 12.37           C  
ATOM     17  P    DG A   2       7.825  -2.449 -10.707  1.00 12.61           P  
ATOM     18  OP1  DG A   2       8.952  -1.589 -10.275  1.00 15.13           O  
ATOM     19  OP2  DG A   2       7.718  -3.872 -10.222  1.00 12.86           O  
ATOM     20  O5'  DG A   2       6.464  -1.782 -10.259  1.00 11.73           O  
ATOM     21  C5'  DG A   2       6.172  -0.413 -10.629  1.00 11.58           C  
ATOM     22  C4'  DG A   2       4.725  -0.154 -10.297  1.00 11.00           C  
ATOM     23  O4'  DG A   2       3.917  -1.023 -11.104  1.00 11.30           O  
ATOM     24  C3'  DG A   2       4.369  -0.460  -8.845  1.00 10.84           C  
ATOM     25  O3'  DG A   2       3.712   0.691  -8.331  1.00 11.49           O  
ATOM     26  C2'  DG A   2       3.486  -1.712  -8.914  1.00 10.73           C  
ATOM     27  C1'  DG A   2       2.895  -1.605 -10.312  1.00 10.59           C  
ATOM     28  N9   DG A   2       2.562  -2.892 -10.919  1.00  9.93           N  
ATOM     29  C8   DG A   2       3.274  -4.065 -10.862  1.00  9.97           C  
ATOM     30  N7   DG A   2       2.702  -5.068 -11.477  1.00  9.76           N  
ATOM     31  C5   DG A   2       1.517  -4.515 -11.960  1.00  9.31           C  
ATOM     32  C6   DG A   2       0.449  -5.098 -12.685  1.00  9.84           C  
ATOM     33  O6   DG A   2       0.345  -6.252 -13.111  1.00 11.80           O  
ATOM     34  N1   DG A   2      -0.587  -4.185 -12.904  1.00 10.78           N  
ATOM     35  C2   DG A   2      -0.599  -2.889 -12.498  1.00 10.45           C  
ATOM     36  N2   DG A   2      -1.690  -2.169 -12.779  1.00 12.03           N  
ATOM     37  N3   DG A   2       0.414  -2.320 -11.865  1.00  9.97           N  
ATOM     38  C4   DG A   2       1.415  -3.184 -11.614  1.00  9.49           C  
ATOM     39  P    DC A   3       3.151   0.784  -6.834  1.00 12.30           P  
ATOM     40  OP1  DC A   3       3.197   2.223  -6.491  1.00 13.76           O  
ATOM     41  OP2  DC A   3       3.837  -0.195  -5.946  1.00 13.79           O  
ATOM     42  O5'  DC A   3       1.645   0.302  -6.959  1.00 11.86           O  
ATOM     43  C5'  DC A   3       0.760   1.019  -7.848  1.00 12.04           C  
ATOM     44  C4'  DC A   3      -0.465   0.180  -8.067  1.00 11.65           C  
ATOM     45  O4'  DC A   3      -0.099  -1.054  -8.697  1.00 11.31           O  
ATOM     46  C3'  DC A   3      -1.216  -0.222  -6.816  1.00 12.31           C  
ATOM     47  O3'  DC A   3      -2.221   0.773  -6.601  1.00 14.05           O  
ATOM     48  C2'  DC A   3      -1.758  -1.614  -7.142  1.00 12.35           C  
ATOM     49  C1'  DC A   3      -1.233  -1.893  -8.543  1.00 10.92           C  
ATOM     50  N1   DC A   3      -0.799  -3.278  -8.755  1.00 10.45           N  
ATOM     51  C2   DC A   3      -1.616  -4.133  -9.494  1.00 10.42           C  
ATOM     52  O2   DC A   3      -2.747  -3.720  -9.812  1.00 10.99           O  
ATOM     53  N3   DC A   3      -1.188  -5.363  -9.792  1.00 10.02           N  
ATOM     54  C4   DC A   3       0.000  -5.792  -9.350  1.00 10.07           C  
ATOM     55  N4   DC A   3       0.402  -7.003  -9.674  1.00 11.19           N  
ATOM     56  C5   DC A   3       0.825  -4.953  -8.547  1.00 10.81           C  
ATOM     57  C6   DC A   3       0.390  -3.715  -8.280  1.00 11.02           C  
ATOM     58  P    DT A   4      -3.012   0.907  -5.220  1.00 15.92           P  
ATOM     59  OP1  DT A   4      -3.567   2.291  -5.206  1.00 18.38           O  
ATOM     60  OP2  DT A   4      -2.193   0.415  -4.081  1.00 17.08           O  
ATOM     61  O5'  DT A   4      -4.205  -0.141  -5.345  1.00 14.08           O  
ATOM     62  C5'  DT A   4      -5.266   0.110  -6.292  1.00 13.75           C  
ATOM     63  C4'  DT A   4      -6.064  -1.151  -6.412  1.00 12.45           C  
ATOM     64  O4'  DT A   4      -5.249  -2.200  -6.950  1.00 12.22           O  
ATOM     65  C3'  DT A   4      -6.598  -1.727  -5.116  1.00 13.07           C  
ATOM     66  O3'  DT A   4      -7.947  -1.310  -5.000  1.00 14.49           O  
ATOM     67  C2'  DT A   4      -6.476  -3.238  -5.253  1.00 12.74           C  
ATOM     68  C1'  DT A   4      -5.912  -3.419  -6.650  1.00 11.21           C  
ATOM     69  N1   DT A   4      -4.939  -4.497  -6.806  1.00 11.00           N  
ATOM     70  C2   DT A   4      -5.247  -5.558  -7.634  1.00 10.39           C  
ATOM     71  O2   DT A   4      -6.314  -5.686  -8.192  1.00 11.32           O  
ATOM     72  N3   DT A   4      -4.260  -6.491  -7.765  1.00 10.04           N  
ATOM     73  C4   DT A   4      -3.018  -6.468  -7.167  1.00 10.54           C  
ATOM     74  O4   DT A   4      -2.233  -7.410  -7.372  1.00 10.89           O  
ATOM     75  C5   DT A   4      -2.776  -5.358  -6.269  1.00 11.04           C  
ATOM     76  C7   DT A   4      -1.484  -5.304  -5.512  1.00 12.19           C  
ATOM     77  C6   DT A   4      -3.734  -4.423  -6.134  1.00 10.78           C  
ATOM     78  P    DA A   5      -8.737  -1.329  -3.617  1.00 17.65           P  
ATOM     79  OP1  DA A   5      -9.909  -0.453  -3.800  1.00 22.18           O  
ATOM     80  OP2  DA A   5      -7.825  -1.124  -2.449  1.00 19.44           O  
ATOM     81  O5'  DA A   5      -9.241  -2.825  -3.461  1.00 14.59           O  
ATOM     82  C5'  DA A   5     -10.198  -3.374  -4.395  1.00 14.62           C  
ATOM     83  C4'  DA A   5     -10.894  -4.526  -3.715  1.00 12.20           C  
ATOM     84  O4'  DA A   5      -9.974  -5.586  -3.435  1.00 11.56           O  
ATOM     85  C3'  DA A   5     -11.540  -4.147  -2.400  1.00 11.54           C  
ATOM     86  O3'  DA A   5     -12.751  -4.889  -2.282  1.00 12.58           O  
ATOM     87  C2'  DA A   5     -10.544  -4.622  -1.365  1.00 11.42           C  
ATOM     88  C1'  DA A   5      -9.851  -5.783  -2.024  1.00 10.84           C  
ATOM     89  N9   DA A   5      -8.423  -5.906  -1.739  1.00 10.43           N  
ATOM     90  C8   DA A   5      -7.465  -4.926  -1.746  1.00 10.91           C  
ATOM     91  N7   DA A   5      -6.245  -5.386  -1.688  1.00 10.63           N  
ATOM     92  C5   DA A   5      -6.407  -6.762  -1.633  1.00 10.02           C  
ATOM     93  C6   DA A   5      -5.481  -7.823  -1.632  1.00 10.52           C  
ATOM     94  N6   DA A   5      -4.158  -7.678  -1.652  1.00 11.63           N  
ATOM     95  N1   DA A   5      -5.999  -9.075  -1.676  1.00 10.48           N  
ATOM     96  C2   DA A   5      -7.324  -9.234  -1.711  1.00 10.54           C  
ATOM     97  N3   DA A   5      -8.281  -8.311  -1.697  1.00 10.24           N  
ATOM     98  C4   DA A   5      -7.744  -7.087  -1.671  1.00  9.56           C  
ATOM     99  P    DT A   6     -14.141  -4.219  -1.929  1.00 15.70           P  
ATOM    100  OP1  DT A   6     -14.117  -2.767  -2.251  1.00 19.91           O  
ATOM    101  OP2  DT A   6     -14.574  -4.610  -0.561  1.00 21.50           O  
ATOM    102  O5'  DT A   6     -15.120  -5.006  -2.889  1.00 14.77           O  
ATOM    103  C5'  DT A   6     -15.200  -4.643  -4.270  1.00 14.09           C  
ATOM    104  C4'  DT A   6     -16.165  -5.578  -4.912  1.00 12.63           C  
ATOM    105  O4'  DT A   6     -15.606  -6.896  -4.864  1.00 12.81           O  
ATOM    106  C3'  DT A   6     -17.515  -5.679  -4.209  1.00 12.29           C  
ATOM    107  O3'  DT A   6     -18.341  -4.684  -4.787  1.00 14.77           O  
ATOM    108  C2'  DT A   6     -17.926  -7.114  -4.490  1.00 12.48           C  
ATOM    109  C1'  DT A   6     -16.603  -7.877  -4.637  1.00 11.47           C  
ATOM    110  N1   DT A   6     -16.206  -8.659  -3.453  1.00 10.10           N  
ATOM    111  C2   DT A   6     -15.536  -9.851  -3.671  1.00  9.42           C  
ATOM    112  O2   DT A   6     -15.333 -10.316  -4.773  1.00 10.67           O  
ATOM    113  N3   DT A   6     -15.092 -10.470  -2.535  1.00  9.16           N  
ATOM    114  C4   DT A   6     -15.210 -10.023  -1.249  1.00  9.16           C  
ATOM    115  O4   DT A   6     -14.747 -10.686  -0.318  1.00  9.56           O  
ATOM    116  C5   DT A   6     -15.837  -8.728  -1.087  1.00 10.13           C  
ATOM    117  C7   DT A   6     -15.954  -8.143   0.293  1.00 11.87           C  
ATOM    118  C6   DT A   6     -16.309  -8.139  -2.180  1.00 10.28           C  
ATOM    119  P    DA A   7     -19.776  -4.354  -4.209  1.00 16.79           P  
ATOM    120  OP1  DA A   7     -20.155  -3.055  -4.831  1.00 22.79           O  
ATOM    121  OP2  DA A   7     -19.825  -4.490  -2.738  1.00 18.92           O  
ATOM    122  O5'  DA A   7     -20.722  -5.506  -4.722  1.00 14.21           O  
ATOM    123  C5'  DA A   7     -20.867  -5.659  -6.136  1.00 13.69           C  
ATOM    124  C4'  DA A   7     -21.579  -6.954  -6.419  1.00 11.50           C  
ATOM    125  O4'  DA A   7     -20.900  -8.075  -5.795  1.00 11.46           O  
ATOM    126  C3'  DA A   7     -23.015  -7.063  -5.943  1.00 11.65           C  
ATOM    127  O3'  DA A   7     -23.734  -7.969  -6.769  1.00 11.19           O  
ATOM    128  C2'  DA A   7     -22.895  -7.715  -4.582  1.00 11.27           C  
ATOM    129  C1'  DA A   7     -21.741  -8.677  -4.817  1.00 10.76           C  
ATOM    130  N9   DA A   7     -20.965  -8.987  -3.618  1.00  9.87           N  
ATOM    131  C8   DA A   7     -21.032  -8.436  -2.368  1.00 11.31           C  
ATOM    132  N7   DA A   7     -20.212  -8.991  -1.503  1.00 10.80           N  
ATOM    133  C5   DA A   7     -19.546  -9.960  -2.257  1.00  9.41           C  
ATOM    134  C6   DA A   7     -18.588 -10.928  -1.908  1.00  9.35           C  
ATOM    135  N6   DA A   7     -18.137 -11.120  -0.681  1.00  9.84           N  
ATOM    136  N1   DA A   7     -18.111 -11.715  -2.880  1.00  9.02           N  
ATOM    137  C2   DA A   7     -18.615 -11.594  -4.110  1.00  9.53           C  
ATOM    138  N3   DA A   7     -19.575 -10.766  -4.553  1.00  9.26           N  
ATOM    139  C4   DA A   7     -19.982  -9.967  -3.557  1.00  9.63           C  
ATOM    140  P    DA A   8     -24.382  -7.534  -8.173  1.00 10.67           P  
ATOM    141  OP1  DA A   8     -23.776  -6.257  -8.621  1.00 11.47           O  
ATOM    142  OP2  DA A   8     -25.866  -7.600  -8.049  1.00 11.06           O  
ATOM    143  O5'  DA A   8     -23.944  -8.736  -9.096  1.00 10.53           O  
ATOM    144  C5'  DA A   8     -22.517  -8.942  -9.317  1.00 10.82           C  
ATOM    145  C4'  DA A   8     -22.364  -9.907 -10.458  1.00 10.57           C  
ATOM    146  O4'  DA A   8     -22.873 -11.187 -10.062  1.00 10.46           O  
ATOM    147  C3'  DA A   8     -23.125  -9.565 -11.723  1.00 10.20           C  
ATOM    148  O3'  DA A   8     -22.283  -8.766 -12.573  1.00 10.84           O  
ATOM    149  C2'  DA A   8     -23.398 -10.916 -12.331  1.00 10.34           C  
ATOM    150  C1'  DA A   8     -23.506 -11.843 -11.142  1.00 10.07           C  
ATOM    151  N9   DA A   8     -24.871 -12.155 -10.708  1.00 10.16           N  
ATOM    152  C8   DA A   8     -25.991 -11.350 -10.688  1.00 10.93           C  
ATOM    153  N7   DA A   8     -27.042 -11.947 -10.187  1.00 11.24           N  
ATOM    154  C5   DA A   8     -26.580 -13.219  -9.845  1.00 10.33           C  
ATOM    155  C6   DA A   8     -27.208 -14.325  -9.251  1.00 10.20           C  
ATOM    156  N6   DA A   8     -28.477 -14.353  -8.867  1.00 10.93           N  
ATOM    157  N1   DA A   8     -26.452 -15.431  -9.033  1.00 10.24           N  
ATOM    158  C2   DA A   8     -25.154 -15.418  -9.380  1.00 10.02           C  
ATOM    159  N3   DA A   8     -24.467 -14.437  -9.961  1.00 10.43           N  
ATOM    160  C4   DA A   8     -25.241 -13.349 -10.152  1.00 10.31           C  
ATOM    161  P    DT A   9     -22.708  -7.280 -12.975  1.00 11.06           P  
ATOM    162  OP1  DT A   9     -21.494  -6.657 -13.543  1.00 12.81           O  
ATOM    163  OP2  DT A   9     -23.422  -6.597 -11.856  1.00 11.29           O  
ATOM    164  O5'  DT A   9     -23.801  -7.502 -14.079  1.00 11.33           O  
ATOM    165  C5'  DT A   9     -23.466  -8.248 -15.252  1.00 12.59           C  
ATOM    166  C4'  DT A   9     -24.558  -8.129 -16.259  1.00 12.65           C  
ATOM    167  O4'  DT A   9     -24.751  -6.748 -16.612  1.00 13.09           O  
ATOM    168  C3'  DT A   9     -24.296  -8.872 -17.565  1.00 12.66           C  
ATOM    169  O3'  DT A   9     -25.184  -9.981 -17.646  1.00 14.03           O  
ATOM    170  C2'  DT A   9     -24.553  -7.838 -18.656  1.00 13.80           C  
ATOM    171  C1'  DT A   9     -25.306  -6.750 -17.917  1.00 14.10           C  
ATOM    172  N1   DT A   9     -25.119  -5.403 -18.416  1.00 13.18           N  
ATOM    173  C2   DT A   9     -26.244  -4.674 -18.731  1.00 15.21           C  
ATOM    174  O2   DT A   9     -27.388  -5.139 -18.667  1.00 17.98           O  
ATOM    175  N3   DT A   9     -25.999  -3.394 -19.143  1.00 15.56           N  
ATOM    176  C4   DT A   9     -24.757  -2.799 -19.284  1.00 15.39           C  
ATOM    177  O4   DT A   9     -24.682  -1.637 -19.665  1.00 17.74           O  
ATOM    178  C5   DT A   9     -23.624  -3.628 -18.953  1.00 15.72           C  
ATOM    179  C7   DT A   9     -22.253  -3.052 -19.053  1.00 17.05           C  
ATOM    180  C6   DT A   9     -23.854  -4.880 -18.540  1.00 13.57           C  
ATOM    181  P    DG A  10     -24.707 -11.394 -18.206  1.00 15.57           P  
ATOM    182  OP1  DG A  10     -23.764 -11.221 -19.335  1.00 17.78           O  
ATOM    183  OP2  DG A  10     -25.971 -12.135 -18.434  1.00 19.51           O  
ATOM    184  O5'  DG A  10     -23.836 -12.039 -17.046  1.00 12.88           O  
ATOM    185  C5'  DG A  10     -24.500 -12.392 -15.842  1.00 12.43           C  
ATOM    186  C4'  DG A  10     -23.612 -13.337 -15.091  1.00 11.00           C  
ATOM    187  O4'  DG A  10     -24.098 -13.495 -13.752  1.00 11.05           O  
ATOM    188  C3'  DG A  10     -23.457 -14.721 -15.698  1.00 12.67           C  
ATOM    189  O3'  DG A  10     -22.136 -15.230 -15.426  1.00 13.17           O  
ATOM    190  C2'  DG A  10     -24.470 -15.523 -14.917  1.00 14.15           C  
ATOM    191  C1'  DG A  10     -24.559 -14.819 -13.572  1.00 11.48           C  
ATOM    192  N9   DG A  10     -25.958 -14.762 -13.133  1.00 10.26           N  
ATOM    193  C8   DG A  10     -26.852 -13.756 -13.355  1.00 11.88           C  
ATOM    194  N7   DG A  10     -28.061 -13.997 -12.910  1.00 11.88           N  
ATOM    195  C5   DG A  10     -27.956 -15.266 -12.366  1.00 10.35           C  
ATOM    196  C6   DG A  10     -28.911 -16.073 -11.701  1.00 10.71           C  
ATOM    197  O6   DG A  10     -30.112 -15.804 -11.512  1.00 11.77           O  
ATOM    198  N1   DG A  10     -28.390 -17.293 -11.300  1.00  9.92           N  
ATOM    199  C2   DG A  10     -27.089 -17.686 -11.474  1.00  9.79           C  
ATOM    200  N2   DG A  10     -26.767 -18.866 -10.967  1.00 10.39           N  
ATOM    201  N3   DG A  10     -26.181 -16.936 -12.080  1.00  9.61           N  
ATOM    202  C4   DG A  10     -26.669 -15.753 -12.507  1.00 10.06           C  
ATOM    203  P  A DC A  11     -21.579 -16.282 -16.529  0.50 17.33           P  
ATOM    204  P  B DC A  11     -21.456 -16.526 -16.058  0.50 12.18           P  
ATOM    205  OP1A DC A  11     -20.147 -16.581 -16.230  0.50 19.35           O  
ATOM    206  OP1B DC A  11     -20.002 -16.498 -15.696  0.50 12.62           O  
ATOM    207  OP2A DC A  11     -21.878 -15.887 -17.940  0.50 19.96           O  
ATOM    208  OP2B DC A  11     -21.853 -16.550 -17.496  0.50 11.75           O  
ATOM    209  O5'A DC A  11     -22.472 -17.597 -16.453  0.50 18.34           O  
ATOM    210  O5'B DC A  11     -22.238 -17.708 -15.325  0.50 12.29           O  
ATOM    211  C5'A DC A  11     -21.891 -18.684 -15.770  0.50 20.44           C  
ATOM    212  C5'B DC A  11     -22.229 -19.037 -15.821  0.50 13.49           C  
ATOM    213  C4'A DC A  11     -22.997 -19.674 -15.620  0.50 18.67           C  
ATOM    214  C4'B DC A  11     -22.468 -19.917 -14.638  0.50 11.67           C  
ATOM    215  O4'A DC A  11     -24.121 -19.030 -15.009  0.50 17.95           O  
ATOM    216  O4'B DC A  11     -23.721 -19.522 -14.021  0.50 11.61           O  
ATOM    217  C3'A DC A  11     -23.537 -20.242 -16.935  0.50 19.51           C  
ATOM    218  C3'B DC A  11     -22.650 -21.348 -15.106  0.50 12.65           C  
ATOM    219  O3'A DC A  11     -22.865 -21.454 -17.194  0.50 19.98           O  
ATOM    220  O3'B DC A  11     -22.267 -22.195 -14.046  0.50 13.48           O  
ATOM    221  C2'A DC A  11     -24.999 -20.523 -16.658  0.50 23.39           C  
ATOM    222  C2'B DC A  11     -24.153 -21.329 -15.392  0.50 11.67           C  
ATOM    223  C1'A DC A  11     -25.208 -19.884 -15.298  0.50 19.16           C  
ATOM    224  C1'B DC A  11     -24.719 -20.507 -14.275  0.50 11.54           C  
ATOM    225  N1 A DC A  11     -26.404 -19.067 -15.235  0.50 15.01           N  
ATOM    226  N1 B DC A  11     -25.994 -19.824 -14.566  0.50 10.92           N  
ATOM    227  C2 A DC A  11     -27.481 -19.596 -14.526  0.50 13.29           C  
ATOM    228  C2 B DC A  11     -27.125 -20.207 -13.854  0.50 10.32           C  
ATOM    229  O2 A DC A  11     -27.360 -20.696 -13.961  0.50 14.54           O  
ATOM    230  O2 B DC A  11     -27.076 -21.223 -13.131  0.50 11.23           O  
ATOM    231  N3 A DC A  11     -28.605 -18.863 -14.433  0.50 12.10           N  
ATOM    232  N3 B DC A  11     -28.253 -19.475 -14.028  0.50 10.02           N  
ATOM    233  C4 A DC A  11     -28.705 -17.677 -15.037  0.50 13.83           C  
ATOM    234  C4 B DC A  11     -28.277 -18.409 -14.848  0.50 10.00           C  
ATOM    235  N4 A DC A  11     -29.804 -16.971 -14.854  0.50 14.21           N  
ATOM    236  N4 B DC A  11     -29.360 -17.665 -14.925  0.50 10.72           N  
ATOM    237  C5 A DC A  11     -27.632 -17.149 -15.796  0.50 14.99           C  
ATOM    238  C5 B DC A  11     -27.145 -18.052 -15.616  0.50 10.46           C  
ATOM    239  C6 A DC A  11     -26.512 -17.882 -15.877  0.50 16.09           C  
ATOM    240  C6 B DC A  11     -26.038 -18.789 -15.448  0.50  9.81           C  
ATOM    241  P  A DG A  12     -23.155 -22.474 -18.429  0.50 13.28           P  
ATOM    242  P  B DG A  12     -21.500 -23.588 -14.221  0.50 16.27           P  
ATOM    243  OP1A DG A  12     -21.676 -22.670 -18.586  0.50 14.52           O  
ATOM    244  OP1B DG A  12     -20.886 -23.948 -12.901  0.50 19.03           O  
ATOM    245  OP2A DG A  12     -23.937 -21.923 -19.526  0.50 15.88           O  
ATOM    246  OP2B DG A  12     -20.606 -23.569 -15.419  0.50 16.61           O  
ATOM    247  O5'A DG A  12     -23.875 -23.692 -17.758  0.50 15.10           O  
ATOM    248  O5'B DG A  12     -22.655 -24.629 -14.352  0.50 18.21           O  
ATOM    249  C5'A DG A  12     -23.359 -24.242 -16.550  0.50 13.32           C  
ATOM    250  C5'B DG A  12     -23.223 -24.867 -15.577  0.50 16.47           C  
ATOM    251  C4'A DG A  12     -24.509 -24.990 -15.915  0.50 11.79           C  
ATOM    252  C4'B DG A  12     -24.558 -25.513 -15.290  0.50 15.49           C  
ATOM    253  O4'A DG A  12     -25.583 -24.083 -15.612  0.50 11.14           O  
ATOM    254  O4'B DG A  12     -25.557 -24.514 -14.997  0.50 14.49           O  
ATOM    255  C3'A DG A  12     -25.085 -26.084 -16.799  0.50 12.63           C  
ATOM    256  C3'B DG A  12     -25.035 -26.233 -16.527  0.50 14.71           C  
ATOM    257  O3'A DG A  12     -25.281 -27.316 -16.109  0.50 13.56           O  
ATOM    258  O3'B DG A  12     -24.621 -27.600 -16.518  0.50 15.20           O  
ATOM    259  C2'A DG A  12     -26.390 -25.493 -17.305  0.50 11.72           C  
ATOM    260  C2'B DG A  12     -26.548 -26.082 -16.475  0.50 15.13           C  
ATOM    261  C1'A DG A  12     -26.794 -24.534 -16.227  0.50 10.85           C  
ATOM    262  C1'B DG A  12     -26.795 -24.908 -15.576  0.50 14.15           C  
ATOM    263  N9 A DG A  12     -27.469 -23.361 -16.729  0.50 10.79           N  
ATOM    264  N9 B DG A  12     -27.348 -23.727 -16.201  0.50 12.21           N  
ATOM    265  C8 A DG A  12     -26.917 -22.372 -17.493  0.50 10.37           C  
ATOM    266  C8 B DG A  12     -26.636 -22.786 -16.886  0.50 12.79           C  
ATOM    267  N7 A DG A  12     -27.735 -21.372 -17.696  0.50 11.02           N  
ATOM    268  N7 B DG A  12     -27.360 -21.742 -17.200  0.50 12.93           N  
ATOM    269  C5 A DG A  12     -28.900 -21.716 -17.035  0.50 11.16           C  
ATOM    270  C5 B DG A  12     -28.617 -22.017 -16.704  0.50 12.55           C  
ATOM    271  C6 A DG A  12     -30.131 -21.029 -16.908  0.50 11.97           C  
ATOM    272  C6 B DG A  12     -29.796 -21.236 -16.752  0.50 12.24           C  
ATOM    273  O6 A DG A  12     -30.421 -19.911 -17.359  0.50 12.96           O  
ATOM    274  O6 B DG A  12     -29.955 -20.114 -17.256  0.50 14.69           O  
ATOM    275  N1 A DG A  12     -31.039 -21.739 -16.128  0.50 11.45           N  
ATOM    276  N1 B DG A  12     -30.863 -21.879 -16.140  0.50 12.28           N  
ATOM    277  C2 A DG A  12     -30.821 -22.992 -15.615  0.50 10.68           C  
ATOM    278  C2 B DG A  12     -30.802 -23.122 -15.568  0.50 11.35           C  
ATOM    279  N2 A DG A  12     -31.840 -23.588 -14.985  0.50 11.38           N  
ATOM    280  N2 B DG A  12     -31.955 -23.625 -15.111  0.50 11.10           N  
ATOM    281  N3 A DG A  12     -29.669 -23.650 -15.752  0.50 10.36           N  
ATOM    282  N3 B DG A  12     -29.689 -23.862 -15.518  0.50 11.80           N  
ATOM    283  C4 A DG A  12     -28.744 -22.941 -16.435  0.50  9.91           C  
ATOM    284  C4 B DG A  12     -28.634 -23.241 -16.097  0.50 11.76           C  
TER     285       DG A  12                                                      
HETATM  286  C01 V70 A 101     -18.077 -12.924 -16.023  0.50 11.23           C  
HETATM  287  C02 V70 A 101     -16.381 -13.131 -10.236  0.50 10.56           C  
HETATM  288  C03 V70 A 101     -16.036 -12.588 -11.516  0.50 10.57           C  
HETATM  289  C04 V70 A 101     -13.155 -13.105 -15.265  0.50 10.41           C  
HETATM  290  C05 V70 A 101     -12.724 -15.440 -13.883  0.50 11.33           C  
HETATM  291  C06 V70 A 101     -12.853 -10.212 -17.573  0.50 11.95           C  
HETATM  292  C07 V70 A 101     -15.240 -11.369 -11.641  0.50 11.30           C  
HETATM  293  C08 V70 A 101     -18.382 -11.718 -15.361  0.50 10.73           C  
HETATM  294  C09 V70 A 101     -15.224 -11.203  -9.178  0.50 10.52           C  
HETATM  295  C10 V70 A 101     -13.437 -11.927 -16.017  0.50 10.19           C  
HETATM  296  C11 V70 A 101     -18.981 -13.512 -16.889  0.50 12.39           C  
HETATM  297  C12 V70 A 101     -16.495 -14.617 -16.296  0.50 14.08           C  
HETATM  298  C13 V70 A 101     -12.496 -11.385 -16.895  0.50 10.91           C  
HETATM  299  C14 V70 A 101     -14.833 -10.678 -10.428  0.50 11.05           C  
HETATM  300  C15 V70 A 101     -14.087  -9.657 -17.366  0.50 11.71           C  
HETATM  301  C16 V70 A 101     -15.961 -12.483  -9.093  0.50 10.22           C  
HETATM  302  C17 V70 A 101     -19.624 -11.090 -15.616  0.50 11.05           C  
HETATM  303  C18 V70 A 101     -17.097 -14.320 -10.185  0.50 11.26           C  
HETATM  304  C19 V70 A 101     -14.997 -10.270 -16.483  0.50 11.41           C  
HETATM  305  C20 V70 A 101     -13.899 -14.721 -13.814  0.50 11.10           C  
HETATM  306  C21 V70 A 101     -17.350 -15.264 -17.204  0.50 14.29           C  
HETATM  307  C22 V70 A 101     -17.713 -10.020 -13.925  0.50 11.24           C  
HETATM  308  C23 V70 A 101     -11.913 -13.756 -15.439  0.50 10.71           C  
HETATM  309  C24 V70 A 101     -11.735 -14.937 -14.706  0.50 11.03           C  
HETATM  310  C25 V70 A 101     -18.577 -14.718 -17.498  0.50 14.10           C  
HETATM  311  C26 V70 A 101     -14.125  -9.479 -10.450  0.50 10.64           C  
HETATM  312  C27 V70 A 101     -11.222 -12.039 -17.020  0.50 11.39           C  
HETATM  313  C28 V70 A 101     -10.976 -13.178 -16.352  0.50 11.17           C  
HETATM  314  C29 V70 A 101     -20.529 -11.744 -16.508  0.50 11.59           C  
HETATM  315  C30 V70 A 101     -16.295 -13.043  -7.866  0.50 10.91           C  
HETATM  316  C31 V70 A 101     -20.247 -12.896 -17.121  0.50 12.10           C  
HETATM  317  C32 V70 A 101     -13.806  -8.823  -9.315  0.50 11.85           C  
HETATM  318  C33 V70 A 101     -19.877  -9.903 -14.954  0.50 11.76           C  
HETATM  319  C34 V70 A 101     -18.953  -9.360 -14.113  0.50 12.02           C  
HETATM  320  C35 V70 A 101     -17.401 -14.851  -8.932  0.50 12.38           C  
HETATM  321  C36 V70 A 101     -14.877 -10.506  -8.008  0.50 11.75           C  
HETATM  322  C37 V70 A 101     -17.005 -14.219  -7.774  0.50 12.32           C  
HETATM  323  C38 V70 A 101     -14.179  -9.339  -8.126  0.50 11.93           C  
HETATM  324  N01 V70 A 101     -14.689 -11.395 -15.830  0.50 10.17           N  
HETATM  325  N02 V70 A 101     -15.010 -11.168 -12.928  0.50 11.65           N  
HETATM  326  N03 V70 A 101     -16.854 -13.464 -15.760  0.50 11.76           N  
HETATM  327  N04 V70 A 101     -16.465 -13.177 -12.598  0.50 10.79           N  
HETATM  328  N05 V70 A 101     -17.442 -11.202 -14.545  0.50 11.01           N  
HETATM  329  N06 V70 A 101     -14.130 -13.585 -14.461  0.50 11.00           N  
HETATM  330 RU01 V70 A 101     -15.796 -12.413 -14.348  0.50  9.84          RU  
HETATM  331  C11 V7F A 102     -10.418 -10.904  -1.939  1.00  9.94           C  
HETATM  332  C12 V7F A 102      -8.576 -12.177  -3.545  1.00 10.29           C  
HETATM  333  C13 V7F A 102      -5.555  -8.585  -5.227  1.00 10.09           C  
HETATM  334  C14 V7F A 102     -10.643 -10.596 -10.130  1.00  9.35           C  
HETATM  335  C15 V7F A 102      -7.135  -6.870  -4.809  1.00 10.60           C  
HETATM  336  C16 V7F A 102     -11.956 -12.721 -10.022  1.00  9.55           C  
HETATM  337  C17 V7F A 102     -11.960  -8.855  -3.178  1.00  9.68           C  
HETATM  338  C18 V7F A 102     -12.220 -13.982  -7.977  1.00  9.98           C  
HETATM  339  C19 V7F A 102      -8.171  -7.738  -5.173  1.00 10.25           C  
HETATM  340  C20 V7F A 102      -7.264 -12.650  -7.038  1.00 10.17           C  
HETATM  341  C21 V7F A 102      -8.741 -12.574  -2.236  1.00 10.97           C  
HETATM  342  C22 V7F A 102     -11.581  -8.484  -5.861  1.00  9.95           C  
HETATM  343  C23 V7F A 102      -5.059 -11.186  -6.176  1.00  9.93           C  
HETATM  344  C24 V7F A 102      -4.886 -12.466  -6.718  1.00 11.02           C  
HETATM  345  C25 V7F A 102      -9.647 -11.962  -1.430  1.00 10.71           C  
HETATM  346  C26 V7F A 102     -10.148  -9.483 -10.856  1.00  9.94           C  
HETATM  347  C29 V7F A 102     -12.069  -9.156  -1.756  1.00 10.22           C  
HETATM  348  C30 V7F A 102     -12.760 -13.675 -10.639  1.00 10.75           C  
HETATM  349  C31 V7F A 102     -11.370 -10.135  -1.224  1.00 10.24           C  
HETATM  350  C32 V7F A 102     -10.397  -9.386 -12.191  1.00 10.86           C  
HETATM  351  C33 V7F A 102     -12.726  -7.913  -3.845  1.00 10.35           C  
HETATM  352  C34 V7F A 102     -12.530  -7.710  -5.153  1.00 10.59           C  
HETATM  353  C35 V7F A 102     -13.001 -14.924  -8.602  1.00 10.59           C  
HETATM  354  C36 V7F A 102     -11.582 -11.472 -12.153  1.00 10.57           C  
HETATM  355  C37 V7F A 102     -13.261 -14.756  -9.929  1.00 10.48           C  
HETATM  356  C38 V7F A 102     -11.101 -10.374 -12.859  1.00 11.07           C  
HETATM  357  C01 V7F A 102     -10.230 -10.584  -3.282  1.00  9.76           C  
HETATM  358  C02 V7F A 102     -11.699 -12.879  -8.672  1.00  9.18           C  
HETATM  359  C03 V7F A 102     -10.848 -11.886  -8.004  1.00  8.89           C  
HETATM  360  C04 V7F A 102      -6.377 -10.713  -6.093  1.00  9.41           C  
HETATM  361  C05 V7F A 102      -5.971 -13.197  -7.161  1.00 10.45           C  
HETATM  362  C06 V7F A 102      -5.855  -7.276  -4.822  1.00 10.89           C  
HETATM  363  C07 V7F A 102     -10.315 -10.751  -8.733  1.00  9.43           C  
HETATM  364  C08 V7F A 102     -11.015  -9.587  -3.928  1.00  8.99           C  
HETATM  365  C09 V7F A 102     -11.399 -11.600 -10.770  1.00 10.09           C  
HETATM  366  C10 V7F A 102      -6.622  -9.413  -5.621  1.00  9.46           C  
HETATM  367  C27 V7F A 102      -4.217  -9.139  -5.302  1.00 10.46           C  
HETATM  368  C28 V7F A 102      -3.975 -10.355  -5.752  1.00 10.35           C  
HETATM  369  N01 V7F A 102      -7.943  -8.992  -5.565  1.00  9.44           N  
HETATM  370  N02 V7F A 102      -9.583  -9.956  -8.025  1.00  9.35           N  
HETATM  371  N03 V7F A 102      -9.303 -11.208  -4.055  1.00  9.22           N  
HETATM  372  N04 V7F A 102     -10.506 -11.944  -6.771  1.00  9.43           N  
HETATM  373  N05 V7F A 102     -10.826  -9.405  -5.262  1.00  9.62           N  
HETATM  374  N06 V7F A 102      -7.494 -11.418  -6.507  1.00  9.61           N  
HETATM  375 RU01 V7F A 102      -9.277 -10.499  -6.052  1.00  9.27          RU  
HETATM  376  K     K A 103     -21.328 -10.240   3.521  1.00 17.47           K  
HETATM  377  K     K A 104     -26.854  -9.886 -13.857  1.00 14.57           K  
HETATM  378 LI    LI A 105     -27.930  -7.058 -11.408  1.00 12.06          LI  
HETATM  379  O   HOH A 201      -7.306  -2.038  -0.332  0.58 18.67           O  
HETATM  380  O   HOH A 202     -24.308 -17.405 -18.004  1.00 26.58           O  
HETATM  381  O   HOH A 203     -27.015 -20.176 -19.692  1.00 30.63           O  
HETATM  382  O   HOH A 204      -2.082  -2.099  -3.623  1.00 28.26           O  
HETATM  383  O   HOH A 205     -16.958  -4.408   0.506  1.00 28.21           O  
HETATM  384  O   HOH A 206     -21.124 -24.334 -20.542  1.00 27.97           O  
HETATM  385  O   HOH A 207     -30.700 -13.334 -10.623  1.00 21.75           O  
HETATM  386  O   HOH A 208       2.216  -8.101 -12.444  1.00 12.42           O  
HETATM  387  O   HOH A 209     -22.208  -5.229  -1.670  1.00 45.48           O  
HETATM  388  O   HOH A 210     -28.090  -7.868  -9.616  1.00 11.50           O  
HETATM  389  O   HOH A 211       0.063  -8.396  -6.250  1.00 18.31           O  
HETATM  390  O   HOH A 212     -29.237 -10.403  -9.593  1.00 15.04           O  
HETATM  391  O   HOH A 213     -26.851  -8.221  -5.548  1.00 21.99           O  
HETATM  392  O   HOH A 214       2.407  -0.633  -3.624  1.00 25.97           O  
HETATM  393  O   HOH A 215       0.321   1.280  -3.322  1.00 23.75           O  
HETATM  394  O   HOH A 216       4.736   0.000 -13.548  0.50 18.03           O  
HETATM  395  O   HOH A 217     -21.313  -9.920 -19.696  1.00 30.91           O  
HETATM  396  O   HOH A 218     -29.485 -11.588 -12.769  1.00 19.15           O  
HETATM  397  O   HOH A 219     -26.444 -14.858 -17.969  1.00 26.55           O  
HETATM  398  O   HOH A 220      -4.083  -3.775  -2.502  1.00 20.70           O  
HETATM  399  O   HOH A 221      -4.608 -11.509  -2.037  1.00 14.22           O  
HETATM  400  O   HOH A 222     -23.476 -17.770 -11.782  1.00 14.65           O  
HETATM  401  O   HOH A 223     -18.830  -6.240  -0.712  1.00 26.15           O  
HETATM  402  O   HOH A 224     -26.190  -7.273 -12.107  1.00 12.57           O  
HETATM  403  O   HOH A 225       8.727  -0.569  -7.556  1.00 23.38           O  
HETATM  404  O   HOH A 226      -2.179  -5.513  -1.652  1.00 18.28           O  
HETATM  405  O   HOH A 227       4.299  -3.112  -5.947  1.00 21.73           O  
HETATM  406  O   HOH A 228      -2.281  -9.934  -1.988  1.00 13.44           O  
HETATM  407  O   HOH A 229      11.724  -4.736 -12.419  1.00 73.08           O  
HETATM  408  O   HOH A 230     -19.054  -9.345   1.574  1.00 22.75           O  
HETATM  409  O   HOH A 231       1.056  -9.024 -16.119  1.00 27.63           O  
HETATM  410  O   HOH A 232     -19.538  -5.849 -15.850  1.00 25.34           O  
HETATM  411  O   HOH A 233     -16.719 -16.238 -13.239  1.00 20.06           O  
HETATM  412  O   HOH A 234     -13.928  -1.822   0.777  1.00 65.57           O  
HETATM  413  O   HOH A 235     -32.834 -19.774 -19.395  1.00 23.42           O  
HETATM  414  O   HOH A 236     -28.177 -10.886 -16.477  1.00 27.36           O  
HETATM  415  O   HOH A 237     -20.949  -5.667 -10.022  1.00 20.15           O  
HETATM  416  O   HOH A 238      -8.480   2.108  -5.150  1.00 28.44           O  
HETATM  417  O   HOH A 239     -23.659  -3.379  -7.081  1.00 16.03           O  
HETATM  418  O   HOH A 240      -4.829  -1.399  -1.056  1.00 35.11           O  
HETATM  419  O   HOH A 241       9.940  -0.363 -15.142  1.00 34.12           O  
HETATM  420  O   HOH A 242     -20.361 -26.946 -15.450  1.00 26.69           O  
HETATM  421  O   HOH A 243     -25.319  -5.719 -21.851  1.00 22.77           O  
HETATM  422  O   HOH A 244       5.092  -4.742  -8.120  1.00 13.26           O  
HETATM  423  O   HOH A 245     -28.764 -14.665 -17.248  1.00 81.17           O  
HETATM  424  O   HOH A 246      -9.244  -2.781  -7.912  1.00 13.22           O  
HETATM  425  O   HOH A 247     -30.000 -12.887 -15.789  1.00 28.32           O  
HETATM  426  O   HOH A 248     -22.637 -20.298 -10.524  1.00 18.85           O  
HETATM  427  O   HOH A 249     -16.217  -5.576   2.672  1.00 23.94           O  
HETATM  428  O   HOH A 250     -22.565 -17.464  -8.705  1.00 14.07           O  
HETATM  429  O   HOH A 251      -0.147  -9.968 -13.784  1.00 19.98           O  
HETATM  430  O   HOH A 252     -13.503  -5.389  -7.767  1.00 16.68           O  
HETATM  431  O   HOH A 253     -10.805  -5.467  -7.279  1.00 19.17           O  
HETATM  432  O   HOH A 254      -0.795  -8.316  -3.605  1.00 23.42           O  
HETATM  433  O   HOH A 255     -24.362  -3.844  -4.270  1.00 18.47           O  
HETATM  434  O   HOH A 256     -20.887  -7.565 -17.874  1.00 15.08           O  
HETATM  435  O   HOH A 257     -17.859  -8.309 -17.540  1.00 42.29           O  
HETATM  436  O   HOH A 258       1.169  -3.250  -4.637  1.00 26.20           O  
HETATM  437  O   HOH A 259     -26.104  -6.188  -3.643  1.00 29.09           O  
HETATM  438  O   HOH A 260     -17.363 -10.655 -19.356  1.00 81.65           O  
HETATM  439  O   HOH A 261       2.204  -6.779  -5.536  1.00 23.86           O  
HETATM  440  O   HOH A 262     -16.163  -6.917 -15.494  1.00 30.79           O  
HETATM  441  O   HOH A 263     -20.432 -18.236 -10.965  1.00 26.38           O  
HETATM  442  O   HOH A 264     -16.499  -6.708 -11.856  1.00 18.18           O  
HETATM  443  O   HOH A 265     -32.064 -21.008 -22.074  1.00 25.86           O  
HETATM  444  O   HOH A 266     -17.947  -7.339   2.777  1.00 65.50           O  
HETATM  445  O   HOH A 267      -6.915 -15.395  -1.026  1.00 28.83           O  
HETATM  446  O   HOH A 268      -1.123 -13.184  -6.883  1.00 17.59           O  
HETATM  447  O   HOH A 269     -14.872 -18.074  -8.626  1.00 23.49           O  
HETATM  448  O   HOH A 270     -12.447  -4.155 -13.778  1.00 30.22           O  
CONECT  286  293  296  326                                                      
CONECT  287  288  301  303                                                      
CONECT  288  287  292  327                                                      
CONECT  289  295  308  329                                                      
CONECT  290  305  309                                                           
CONECT  291  298  300                                                           
CONECT  292  288  299  325                                                      
CONECT  293  286  302  328                                                      
CONECT  294  299  301  321                                                      
CONECT  295  289  298  324                                                      
CONECT  296  286  310  316                                                      
CONECT  297  306  326                                                           
CONECT  298  291  295  312                                                      
CONECT  299  292  294  311                                                      
CONECT  300  291  304                                                           
CONECT  301  287  294  315                                                      
CONECT  302  293  314  318                                                      
CONECT  303  287  320                                                           
CONECT  304  300  324                                                           
CONECT  305  290  329                                                           
CONECT  306  297  310                                                           
CONECT  307  319  328                                                           
CONECT  308  289  309  313                                                      
CONECT  309  290  308                                                           
CONECT  310  296  306                                                           
CONECT  311  299  317                                                           
CONECT  312  298  313                                                           
CONECT  313  308  312                                                           
CONECT  314  302  316                                                           
CONECT  315  301  322                                                           
CONECT  316  296  314                                                           
CONECT  317  311  323                                                           
CONECT  318  302  319                                                           
CONECT  319  307  318                                                           
CONECT  320  303  322                                                           
CONECT  321  294  323                                                           
CONECT  322  315  320                                                           
CONECT  323  317  321                                                           
CONECT  324  295  304  330                                                      
CONECT  325  292  330                                                           
CONECT  326  286  297  330                                                      
CONECT  327  288  330                                                           
CONECT  328  293  307  330                                                      
CONECT  329  289  305  330                                                      
CONECT  330  324  325  326  327                                                 
CONECT  330  328  329                                                           
CONECT  331  345  349  357                                                      
CONECT  332  341  371                                                           
CONECT  333  362  366  367                                                      
CONECT  334  346  363  365                                                      
CONECT  335  339  362                                                           
CONECT  336  348  358  365                                                      
CONECT  337  347  351  364                                                      
CONECT  338  353  358                                                           
CONECT  339  335  369                                                           
CONECT  340  361  374                                                           
CONECT  341  332  345                                                           
CONECT  342  352  373                                                           
CONECT  343  344  360  368                                                      
CONECT  344  343  361                                                           
CONECT  345  331  341                                                           
CONECT  346  334  350                                                           
CONECT  347  337  349                                                           
CONECT  348  336  355                                                           
CONECT  349  331  347                                                           
CONECT  350  346  356                                                           
CONECT  351  337  352                                                           
CONECT  352  342  351                                                           
CONECT  353  338  355                                                           
CONECT  354  356  365                                                           
CONECT  355  348  353                                                           
CONECT  356  350  354                                                           
CONECT  357  331  364  371                                                      
CONECT  358  336  338  359                                                      
CONECT  359  358  363  372                                                      
CONECT  360  343  366  374                                                      
CONECT  361  340  344                                                           
CONECT  362  333  335                                                           
CONECT  363  334  359  370                                                      
CONECT  364  337  357  373                                                      
CONECT  365  334  336  354                                                      
CONECT  366  333  360  369                                                      
CONECT  367  333  368                                                           
CONECT  368  343  367                                                           
CONECT  369  339  366  375                                                      
CONECT  370  363  375                                                           
CONECT  371  332  357  375                                                      
CONECT  372  359  375                                                           
CONECT  373  342  364  375                                                      
CONECT  374  340  360  375                                                      
CONECT  375  369  370  371  372                                                 
CONECT  375  373  374                                                           
CONECT  376  408                                                                
CONECT  377  396  402  414                                                      
CONECT  378  388  402                                                           
CONECT  388  378                                                                
CONECT  396  377                                                                
CONECT  402  377  378                                                           
CONECT  408  376                                                                
CONECT  414  377                                                                
MASTER      366    0    5    0    0    0    0    6  406    1  100    1          
END                                                                             
