USER MOD reduce.3.24.130724 H: found=0, std=0, add=227, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 227 hydrogens (11 hets) HEADER DNA 27-AUG-11 2LIB TITLE DNA SEQUENCE CONTEXT CONCEALS ALPHA ANOMERIC LESION COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*TP*CP*CP*(A3A)P*GP*GP*AP*CP*G)-3'); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*CP*GP*TP*CP*CP*TP*GP*GP*AP*C)-3'); COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES KEYWDS ALPHA ANOMERIC ADENOSINE, DNA DAMAGE, FLANKING SEQUENCE EFFECTS, KEYWDS 2 STRUCTURAL PERTURBATION, STRUCTURAL DISTORTION, MINOR GROOVE KEYWDS 3 DISTORTION, ENDONUCLEASE IV, ENZYME RECOGNITION, HELICAL AXIS KINK, KEYWDS 4 ENZYME MODULATION, DNA REPAIR, DNA PERTURBATION, DNA EXPDTA SOLUTION NMR AUTHOR C.N.JOHNSON,A.M.SPRING,R.P.CUNNINGHAM,M.W.GERMANN REVDAT 1 08-AUG-12 2LIB 0 JRNL AUTH C.N.JOHNSON,A.M.SPRING,S.DESAI,R.P.CUNNINGHAM,M.W.GERMANN JRNL TITL DNA SEQUENCE CONTEXT CONCEALS ALPHA-ANOMERIC LESIONS. JRNL REF J.MOL.BIOL. V. 416 425 2012 JRNL REFN ISSN 0022-2836 JRNL PMID 22227386 JRNL DOI 10.1016/J.JMB.2011.12.051 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER REMARK 3 AUTHORS : CASE, DARDEN, CHEATHAM, III, SIMMERLING, WANG, REMARK 3 DUKE, LUO, AND KOLLM REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: CORMA AMBER MARDIGRAS cycles with REMARK 3 restrained molecular dynamics REMARK 4 REMARK 4 2LIB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-SEP-11. REMARK 100 THE RCSB ID CODE IS RCSB102419. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 276; 298 REMARK 210 PH : 6.65; NULL REMARK 210 IONIC STRENGTH : 50; 50 REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 0.75 MM DNA (5'-D(*GP*TP*CP*CP* REMARK 210 A3A*GP*GP*AP*CP*G)-3'), 0.75 MM DNA (5'-D(*CP*GP*TP*CP*CP*TP*GP* REMARK 210 GP*AP*C)-3'), 10 MM SODIUM PHOSPHATE, 50 MM SODIUM CHLORIDE, 10 % REMARK 210 D2O, 0.2 UM DSS, 2 MM EDTA, 90% H2O/10% D2O; 0.75 MM DNA (5'-D(* REMARK 210 GP*TP*CP*CP*A3A*GP*GP*AP*CP*G)-3'), 0.75 MM DNA (5'-D(*CP*GP*TP* REMARK 210 CP*CP*TP*GP*GP*AP*C)-3'), 10 MM SODIUM PHOSPHATE, 50 MM SODIUM REMARK 210 CHLORIDE, 100 % D2O, 0.2 UM DSS, 2 MM EDTA, 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 1-1 JUMP RETURN; 1D NOE; 1-1 REMARK 210 NOESY 2D 150 MS; LOW FLIP COSY; REMARK 210 TOCYS; 2D 1H 1H NOESY 75 MS; 2D REMARK 210 1H 1H NOESY 125 MS; 2D 1H-1H REMARK 210 NOESY 250 MS; CONSTANT TIME COSY; REMARK 210 2D 1H-13C HSQC; 2D 1H-31P CORR; REMARK 210 1D 31P REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : AMBER 9.0, SPARKY 3.3, TOPSPIN, REMARK 210 CORMA, MARDGIRAS, CURVES 5.1 REMARK 210 METHOD USED : RESTRAINED MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST AMBER VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. 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, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (RES=RESIDUE NAME; REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 470 RES CSSEQI ATOMS REMARK 470 A3A A 5 O1 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 1 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DC A 3 N3 - C2 - O2 ANGL. DEV. = -4.8 DEGREES REMARK 500 DC A 4 N3 - C2 - O2 ANGL. DEV. = -4.5 DEGREES REMARK 500 DA A 8 O4' - C4' - C3' ANGL. DEV. = 5.1 DEGREES REMARK 500 DA A 8 C4 - C5 - C6 ANGL. DEV. = -3.6 DEGREES REMARK 500 DA A 8 C5 - C6 - N1 ANGL. DEV. = 4.0 DEGREES REMARK 500 DA A 8 N1 - C6 - N6 ANGL. DEV. = -5.1 DEGREES REMARK 500 DC A 9 O4' - C4' - C3' ANGL. DEV. = 3.7 DEGREES REMARK 500 DC A 9 N3 - C2 - O2 ANGL. DEV. = -4.2 DEGREES REMARK 500 DC B 11 O4' - C4' - C3' ANGL. DEV. = 3.9 DEGREES REMARK 500 DC B 11 O4' - C1' - N1 ANGL. DEV. = 5.8 DEGREES REMARK 500 DC B 11 N3 - C2 - O2 ANGL. DEV. = -4.7 DEGREES REMARK 500 DG B 12 O4' - C4' - C3' ANGL. DEV. = 3.9 DEGREES REMARK 500 DG B 12 N1 - C6 - O6 ANGL. DEV. = -3.6 DEGREES REMARK 500 DT B 13 O4' - C4' - C3' ANGL. DEV. = 4.2 DEGREES REMARK 500 DC B 14 O4' - C4' - C3' ANGL. DEV. = 3.8 DEGREES REMARK 500 DC B 14 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DC B 15 O4' - C4' - C3' ANGL. DEV. = 4.9 DEGREES REMARK 500 DC B 15 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DT B 16 O4' - C1' - C2' ANGL. DEV. = -7.0 DEGREES REMARK 500 DT B 16 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA B 19 O4' - C4' - C3' ANGL. DEV. = 4.2 DEGREES REMARK 500 DA B 19 C4 - C5 - C6 ANGL. DEV. = -3.9 DEGREES REMARK 500 DA B 19 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DA B 19 N1 - C6 - N6 ANGL. DEV. = -5.2 DEGREES REMARK 500 DC B 20 O4' - C1' - N1 ANGL. DEV. = 3.2 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 DG A 10 0.10 SIDE CHAIN REMARK 500 DC B 11 0.11 SIDE CHAIN REMARK 500 DG B 18 0.07 SIDE CHAIN REMARK 500 DC B 20 0.11 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 17887 RELATED DB: BMRB DBREF 2LIB A 1 10 PDB 2LIB 2LIB 1 10 DBREF 2LIB B 11 20 PDB 2LIB 2LIB 11 20 SEQRES 1 A 10 DG DT DC DC A3A DG DG DA DC DG SEQRES 1 B 10 DC DG DT DC DC DT DG DG DA DC MODRES 2LIB A3A A 5 DA HET A3A A 5 32 HETNAM A3A 2'DEOXY-ALPHA-ANOMERIC-ADENOSINE-5'-PHOSPHATE FORMUL 1 A3A C10 H14 N5 O6 P CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DG O3' : rot 180:sc= 0 USER MOD Single : B 11 DC O5' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DT C7 :methyl 150:sc= -0.0136 (180deg=-0.0136) USER MOD Single : B 20 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 17.735 44.041 11.889 1.00 0.00 O ATOM 2 C5' DG A 1 18.611 44.778 12.735 1.00 0.00 C ATOM 3 C4' DG A 1 18.802 44.150 14.124 1.00 0.00 C ATOM 4 O4' DG A 1 17.625 44.229 14.912 1.00 0.00 O ATOM 5 C3' DG A 1 19.275 42.685 14.125 1.00 0.00 C ATOM 6 O3' DG A 1 20.618 42.697 14.592 1.00 0.00 O ATOM 7 C2' DG A 1 18.316 42.012 15.131 1.00 0.00 C ATOM 8 C1' DG A 1 17.691 43.183 15.869 1.00 0.00 C ATOM 9 N9 DG A 1 16.337 42.871 16.391 1.00 0.00 N ATOM 10 C8 DG A 1 15.119 43.010 15.761 1.00 0.00 C ATOM 11 N7 DG A 1 14.099 42.590 16.464 1.00 0.00 N ATOM 12 C5 DG A 1 14.690 42.148 17.659 1.00 0.00 C ATOM 13 C6 DG A 1 14.118 41.584 18.852 1.00 0.00 C ATOM 14 O6 DG A 1 12.935 41.356 19.109 1.00 0.00 O ATOM 15 N1 DG A 1 15.047 41.273 19.820 1.00 0.00 N ATOM 16 C2 DG A 1 16.373 41.506 19.694 1.00 0.00 C ATOM 17 N2 DG A 1 17.118 41.214 20.724 1.00 0.00 N ATOM 18 N3 DG A 1 16.952 42.040 18.621 1.00 0.00 N ATOM 19 C4 DG A 1 16.056 42.332 17.626 1.00 0.00 C ATOM 0 H5' DG A 1 18.222 45.789 12.854 1.00 0.00 H new ATOM 0 H5'' DG A 1 19.583 44.866 12.249 1.00 0.00 H new ATOM 0 H4' DG A 1 19.602 44.753 14.554 1.00 0.00 H new ATOM 0 H3' DG A 1 19.259 42.171 13.164 1.00 0.00 H new ATOM 0 H2' DG A 1 17.562 41.409 14.624 1.00 0.00 H new ATOM 0 H2'' DG A 1 18.850 41.349 15.811 1.00 0.00 H new ATOM 0 HO5' DG A 1 17.657 44.495 11.024 1.00 0.00 H new ATOM 0 H1' DG A 1 18.284 43.448 16.745 1.00 0.00 H new ATOM 0 H8 DG A 1 15.016 43.430 14.771 1.00 0.00 H new ATOM 0 H1 DG A 1 14.715 40.842 20.683 1.00 0.00 H new ATOM 0 H21 DG A 1 18.125 41.369 20.685 1.00 0.00 H new ATOM 0 H22 DG A 1 16.693 40.831 21.568 1.00 0.00 H new ATOM 32 P DT A 2 21.641 41.498 14.352 1.00 0.00 P ATOM 33 OP1 DT A 2 22.984 42.002 14.714 1.00 0.00 O ATOM 34 OP2 DT A 2 21.463 40.936 12.993 1.00 0.00 O ATOM 35 O5' DT A 2 21.245 40.385 15.415 1.00 0.00 O ATOM 36 C5' DT A 2 21.579 40.550 16.788 1.00 0.00 C ATOM 37 C4' DT A 2 21.041 39.450 17.706 1.00 0.00 C ATOM 38 O4' DT A 2 19.681 39.676 18.040 1.00 0.00 O ATOM 39 C3' DT A 2 21.182 38.017 17.172 1.00 0.00 C ATOM 40 O3' DT A 2 22.280 37.338 17.775 1.00 0.00 O ATOM 41 C2' DT A 2 19.829 37.394 17.512 1.00 0.00 C ATOM 42 C1' DT A 2 19.103 38.430 18.371 1.00 0.00 C ATOM 43 N1 DT A 2 17.639 38.466 18.123 1.00 0.00 N ATOM 44 C2 DT A 2 16.800 38.116 19.190 1.00 0.00 C ATOM 45 O2 DT A 2 17.197 37.812 20.311 1.00 0.00 O ATOM 46 N3 DT A 2 15.454 38.110 18.937 1.00 0.00 N ATOM 47 C4 DT A 2 14.866 38.362 17.722 1.00 0.00 C ATOM 48 O4 DT A 2 13.642 38.327 17.642 1.00 0.00 O ATOM 49 C5 DT A 2 15.791 38.665 16.632 1.00 0.00 C ATOM 50 C7 DT A 2 15.230 38.857 15.232 1.00 0.00 C ATOM 51 C6 DT A 2 17.133 38.740 16.863 1.00 0.00 C ATOM 0 H5' DT A 2 21.195 41.511 17.130 1.00 0.00 H new ATOM 0 H5'' DT A 2 22.664 40.588 16.883 1.00 0.00 H new ATOM 0 H4' DT A 2 21.679 39.518 18.587 1.00 0.00 H new ATOM 0 H3' DT A 2 21.404 37.965 16.106 1.00 0.00 H new ATOM 0 H2' DT A 2 19.263 37.169 16.608 1.00 0.00 H new ATOM 0 H2'' DT A 2 19.954 36.456 18.052 1.00 0.00 H new ATOM 0 H1' DT A 2 19.215 38.180 19.426 1.00 0.00 H new ATOM 0 H3 DT A 2 14.834 37.900 19.719 1.00 0.00 H new ATOM 0 H71 DT A 2 15.860 39.554 14.680 1.00 0.00 H new ATOM 0 H72 DT A 2 15.209 37.898 14.714 1.00 0.00 H new ATOM 0 H73 DT A 2 14.218 39.256 15.297 1.00 0.00 H new ATOM 0 H6 DT A 2 17.803 39.014 16.061 1.00 0.00 H new ATOM 64 P DC A 3 22.777 35.897 17.291 1.00 0.00 P ATOM 65 OP1 DC A 3 24.223 35.819 17.612 1.00 0.00 O ATOM 66 OP2 DC A 3 22.385 35.719 15.874 1.00 0.00 O ATOM 67 O5' DC A 3 21.977 34.842 18.194 1.00 0.00 O ATOM 68 C5' DC A 3 22.241 34.724 19.592 1.00 0.00 C ATOM 69 C4' DC A 3 21.190 33.905 20.363 1.00 0.00 C ATOM 70 O4' DC A 3 19.911 34.520 20.223 1.00 0.00 O ATOM 71 C3' DC A 3 21.082 32.418 19.977 1.00 0.00 C ATOM 72 O3' DC A 3 21.333 31.588 21.115 1.00 0.00 O ATOM 73 C2' DC A 3 19.641 32.306 19.494 1.00 0.00 C ATOM 74 C1' DC A 3 18.916 33.522 20.083 1.00 0.00 C ATOM 75 N1 DC A 3 17.839 34.036 19.186 1.00 0.00 N ATOM 76 C2 DC A 3 16.505 34.100 19.622 1.00 0.00 C ATOM 77 O2 DC A 3 16.164 33.727 20.747 1.00 0.00 O ATOM 78 N3 DC A 3 15.528 34.558 18.799 1.00 0.00 N ATOM 79 C4 DC A 3 15.862 34.932 17.581 1.00 0.00 C ATOM 80 N4 DC A 3 14.893 35.304 16.799 1.00 0.00 N ATOM 81 C5 DC A 3 17.196 34.919 17.089 1.00 0.00 C ATOM 82 C6 DC A 3 18.159 34.454 17.919 1.00 0.00 C ATOM 0 H5' DC A 3 22.298 35.722 20.026 1.00 0.00 H new ATOM 0 H5'' DC A 3 23.218 34.261 19.729 1.00 0.00 H new ATOM 0 H4' DC A 3 21.536 33.908 21.397 1.00 0.00 H new ATOM 0 H3' DC A 3 21.803 32.097 19.226 1.00 0.00 H new ATOM 0 H2' DC A 3 19.591 32.309 18.405 1.00 0.00 H new ATOM 0 H2'' DC A 3 19.185 31.375 19.832 1.00 0.00 H new ATOM 0 H1' DC A 3 18.435 33.251 21.023 1.00 0.00 H new ATOM 0 H41 DC A 3 15.094 35.604 15.845 1.00 0.00 H new ATOM 0 H42 DC A 3 13.931 35.296 17.139 1.00 0.00 H new ATOM 0 H5 DC A 3 17.431 35.266 16.094 1.00 0.00 H new ATOM 0 H6 DC A 3 19.184 34.412 17.582 1.00 0.00 H new ATOM 94 P DC A 4 21.386 29.977 21.063 1.00 0.00 P ATOM 95 OP1 DC A 4 22.513 29.576 21.933 1.00 0.00 O ATOM 96 OP2 DC A 4 21.416 29.524 19.654 1.00 0.00 O ATOM 97 O5' DC A 4 20.005 29.457 21.702 1.00 0.00 O ATOM 98 C5' DC A 4 19.710 29.658 23.082 1.00 0.00 C ATOM 99 C4' DC A 4 18.315 29.183 23.544 1.00 0.00 C ATOM 100 O4' DC A 4 17.294 29.941 22.903 1.00 0.00 O ATOM 101 C3' DC A 4 17.996 27.693 23.350 1.00 0.00 C ATOM 102 O3' DC A 4 17.285 27.202 24.489 1.00 0.00 O ATOM 103 C2' DC A 4 17.120 27.729 22.105 1.00 0.00 C ATOM 104 C1' DC A 4 16.384 29.064 22.259 1.00 0.00 C ATOM 105 N1 DC A 4 15.948 29.669 20.976 1.00 0.00 N ATOM 106 C2 DC A 4 14.609 30.031 20.760 1.00 0.00 C ATOM 107 O2 DC A 4 13.726 29.824 21.598 1.00 0.00 O ATOM 108 N3 DC A 4 14.243 30.637 19.604 1.00 0.00 N ATOM 109 C4 DC A 4 15.180 30.896 18.713 1.00 0.00 C ATOM 110 N4 DC A 4 14.805 31.477 17.613 1.00 0.00 N ATOM 111 C5 DC A 4 16.556 30.621 18.903 1.00 0.00 C ATOM 112 C6 DC A 4 16.900 29.992 20.055 1.00 0.00 C ATOM 0 H5' DC A 4 19.803 30.721 23.304 1.00 0.00 H new ATOM 0 H5'' DC A 4 20.465 29.141 23.675 1.00 0.00 H new ATOM 0 H4' DC A 4 18.341 29.343 24.622 1.00 0.00 H new ATOM 0 H3' DC A 4 18.863 27.041 23.244 1.00 0.00 H new ATOM 0 H2' DC A 4 17.712 27.695 21.191 1.00 0.00 H new ATOM 0 H2'' DC A 4 16.430 26.886 22.070 1.00 0.00 H new ATOM 0 H1' DC A 4 15.468 28.893 22.824 1.00 0.00 H new ATOM 0 H41 DC A 4 15.493 31.698 16.893 1.00 0.00 H new ATOM 0 H42 DC A 4 13.823 31.712 17.470 1.00 0.00 H new ATOM 0 H5 DC A 4 17.296 30.898 18.167 1.00 0.00 H new ATOM 0 H6 DC A 4 17.934 29.746 20.244 1.00 0.00 H new HETATM 124 C8A A3A A 5 11.077 26.712 20.962 1.00 0.00 C HETATM 125 N9A A3A A 5 12.341 26.836 20.476 1.00 0.00 N HETATM 126 C4A A3A A 5 12.204 27.462 19.255 1.00 0.00 C HETATM 127 C5A A3A A 5 10.857 27.674 19.094 1.00 0.00 C HETATM 128 N7A A3A A 5 10.135 27.207 20.206 1.00 0.00 N HETATM 129 N3A A3A A 5 13.197 27.799 18.381 1.00 0.00 N HETATM 130 C2A A3A A 5 12.714 28.401 17.294 1.00 0.00 C HETATM 131 N1A A3A A 5 11.447 28.662 16.990 1.00 0.00 N HETATM 132 C6A A3A A 5 10.512 28.302 17.873 1.00 0.00 C HETATM 133 N6A A3A A 5 9.284 28.597 17.489 1.00 0.00 N HETATM 134 P A3A A 5 17.006 25.648 24.746 1.00 0.00 P HETATM 135 OP1 A3A A 5 16.758 25.475 26.195 1.00 0.00 O HETATM 136 OP2 A3A A 5 18.084 24.850 24.123 1.00 0.00 O HETATM 137 O6' A3A A 5 15.655 25.288 23.976 1.00 0.00 O HETATM 138 C5' A3A A 5 14.394 25.718 24.473 1.00 0.00 C HETATM 139 C4' A3A A 5 13.312 25.765 23.386 1.00 0.00 C HETATM 140 O5' A3A A 5 13.594 26.846 22.498 1.00 0.00 O HETATM 141 C3' A3A A 5 13.158 24.474 22.569 1.00 0.00 C HETATM 142 O3' A3A A 5 11.775 24.134 22.497 1.00 0.00 O HETATM 143 C2' A3A A 5 13.748 24.883 21.221 1.00 0.00 C HETATM 144 C1' A3A A 5 13.584 26.400 21.151 1.00 0.00 C HETATM 0 HN62 A3A A 5 9.126 29.051 16.589 1.00 0.00 H new HETATM 0 HN61 A3A A 5 8.493 28.371 18.092 1.00 0.00 H new HETATM 0 H5'' A3A A 5 14.074 25.046 25.269 1.00 0.00 H new HETATM 0 H2'' A3A A 5 14.797 24.597 21.148 1.00 0.00 H new HETATM 0 H8A A3A A 5 10.865 26.232 21.917 1.00 0.00 H new HETATM 0 H5' A3A A 5 14.501 26.708 24.916 1.00 0.00 H new HETATM 0 H4' A3A A 5 12.366 25.899 23.911 1.00 0.00 H new HETATM 0 H3' A3A A 5 13.649 23.590 22.976 1.00 0.00 H new HETATM 0 H2A A3A A 5 13.454 28.720 16.560 1.00 0.00 H new HETATM 0 H2' A3A A 5 13.227 24.393 20.399 1.00 0.00 H new HETATM 0 H1' A3A A 5 14.389 26.827 20.553 1.00 0.00 H new ATOM 156 P DG A 6 11.230 22.710 22.004 1.00 0.00 P ATOM 157 OP1 DG A 6 10.478 22.092 23.122 1.00 0.00 O ATOM 158 OP2 DG A 6 12.328 21.953 21.363 1.00 0.00 O ATOM 159 O5' DG A 6 10.150 23.111 20.896 1.00 0.00 O ATOM 160 C5' DG A 6 8.958 23.806 21.266 1.00 0.00 C ATOM 161 C4' DG A 6 7.926 23.932 20.138 1.00 0.00 C ATOM 162 O4' DG A 6 8.409 24.835 19.163 1.00 0.00 O ATOM 163 C3' DG A 6 7.624 22.597 19.447 1.00 0.00 C ATOM 164 O3' DG A 6 6.237 22.545 19.131 1.00 0.00 O ATOM 165 C2' DG A 6 8.498 22.678 18.200 1.00 0.00 C ATOM 166 C1' DG A 6 8.524 24.177 17.920 1.00 0.00 C ATOM 167 N9 DG A 6 9.791 24.597 17.295 1.00 0.00 N ATOM 168 C8 DG A 6 11.055 24.370 17.772 1.00 0.00 C ATOM 169 N7 DG A 6 12.008 24.860 17.029 1.00 0.00 N ATOM 170 C5 DG A 6 11.311 25.492 15.989 1.00 0.00 C ATOM 171 C6 DG A 6 11.781 26.268 14.873 1.00 0.00 C ATOM 172 O6 DG A 6 12.938 26.553 14.554 1.00 0.00 O ATOM 173 N1 DG A 6 10.765 26.751 14.077 1.00 0.00 N ATOM 174 C2 DG A 6 9.450 26.524 14.307 1.00 0.00 C ATOM 175 N2 DG A 6 8.621 27.015 13.429 1.00 0.00 N ATOM 176 N3 DG A 6 8.957 25.804 15.316 1.00 0.00 N ATOM 177 C4 DG A 6 9.948 25.326 16.137 1.00 0.00 C ATOM 0 H5' DG A 6 9.226 24.805 21.611 1.00 0.00 H new ATOM 0 H5'' DG A 6 8.497 23.290 22.109 1.00 0.00 H new ATOM 0 H4' DG A 6 7.003 24.287 20.595 1.00 0.00 H new ATOM 0 H3' DG A 6 7.829 21.705 20.039 1.00 0.00 H new ATOM 0 H2' DG A 6 9.497 22.280 18.377 1.00 0.00 H new ATOM 0 H2'' DG A 6 8.073 22.116 17.368 1.00 0.00 H new ATOM 0 H1' DG A 6 7.712 24.424 17.237 1.00 0.00 H new ATOM 0 H8 DG A 6 11.246 23.830 18.688 1.00 0.00 H new ATOM 0 H1 DG A 6 11.019 27.314 13.265 1.00 0.00 H new ATOM 0 H21 DG A 6 7.617 26.879 13.544 1.00 0.00 H new ATOM 0 H22 DG A 6 8.977 27.535 12.627 1.00 0.00 H new ATOM 189 P DG A 7 5.560 21.255 18.479 1.00 0.00 P ATOM 190 OP1 DG A 7 4.140 21.241 18.894 1.00 0.00 O ATOM 191 OP2 DG A 7 6.399 20.067 18.756 1.00 0.00 O ATOM 192 O5' DG A 7 5.609 21.530 16.918 1.00 0.00 O ATOM 193 C5' DG A 7 4.841 22.572 16.335 1.00 0.00 C ATOM 194 C4' DG A 7 5.053 22.683 14.824 1.00 0.00 C ATOM 195 O4' DG A 7 6.344 23.194 14.538 1.00 0.00 O ATOM 196 C3' DG A 7 4.878 21.359 14.072 1.00 0.00 C ATOM 197 O3' DG A 7 4.153 21.618 12.881 1.00 0.00 O ATOM 198 C2' DG A 7 6.318 21.008 13.732 1.00 0.00 C ATOM 199 C1' DG A 7 6.892 22.392 13.512 1.00 0.00 C ATOM 200 N9 DG A 7 8.362 22.504 13.549 1.00 0.00 N ATOM 201 C8 DG A 7 9.261 21.899 14.392 1.00 0.00 C ATOM 202 N7 DG A 7 10.503 22.263 14.197 1.00 0.00 N ATOM 203 C5 DG A 7 10.415 23.159 13.118 1.00 0.00 C ATOM 204 C6 DG A 7 11.416 23.901 12.397 1.00 0.00 C ATOM 205 O6 DG A 7 12.630 23.958 12.591 1.00 0.00 O ATOM 206 N1 DG A 7 10.909 24.649 11.355 1.00 0.00 N ATOM 207 C2 DG A 7 9.588 24.736 11.065 1.00 0.00 C ATOM 208 N2 DG A 7 9.243 25.444 10.027 1.00 0.00 N ATOM 209 N3 DG A 7 8.621 24.107 11.725 1.00 0.00 N ATOM 210 C4 DG A 7 9.104 23.316 12.730 1.00 0.00 C ATOM 0 H5' DG A 7 5.104 23.519 16.806 1.00 0.00 H new ATOM 0 H5'' DG A 7 3.784 22.397 16.538 1.00 0.00 H new ATOM 0 H4' DG A 7 4.276 23.363 14.475 1.00 0.00 H new ATOM 0 H3' DG A 7 4.351 20.578 14.620 1.00 0.00 H new ATOM 0 H2' DG A 7 6.817 20.475 14.541 1.00 0.00 H new ATOM 0 H2'' DG A 7 6.394 20.381 12.843 1.00 0.00 H new ATOM 0 H1' DG A 7 6.632 22.698 12.499 1.00 0.00 H new ATOM 0 H8 DG A 7 8.969 21.186 15.149 1.00 0.00 H new ATOM 0 H1 DG A 7 11.565 25.166 10.770 1.00 0.00 H new ATOM 0 H21 DG A 7 8.259 25.534 9.775 1.00 0.00 H new ATOM 0 H22 DG A 7 9.957 25.908 9.466 1.00 0.00 H new ATOM 222 P DA A 8 3.345 20.501 12.099 1.00 0.00 P ATOM 223 OP1 DA A 8 1.919 20.673 12.443 1.00 0.00 O ATOM 224 OP2 DA A 8 3.986 19.178 12.281 1.00 0.00 O ATOM 225 O5' DA A 8 3.515 20.933 10.577 1.00 0.00 O ATOM 226 C5' DA A 8 2.991 22.179 10.118 1.00 0.00 C ATOM 227 C4' DA A 8 3.572 22.601 8.763 1.00 0.00 C ATOM 228 O4' DA A 8 4.932 22.973 8.943 1.00 0.00 O ATOM 229 C3' DA A 8 3.435 21.506 7.699 1.00 0.00 C ATOM 230 O3' DA A 8 2.963 22.085 6.487 1.00 0.00 O ATOM 231 C2' DA A 8 4.864 21.012 7.664 1.00 0.00 C ATOM 232 C1' DA A 8 5.751 22.178 8.116 1.00 0.00 C ATOM 233 N9 DA A 8 6.891 21.712 8.943 1.00 0.00 N ATOM 234 C8 DA A 8 6.873 20.889 10.047 1.00 0.00 C ATOM 235 N7 DA A 8 8.046 20.663 10.583 1.00 0.00 N ATOM 236 C5 DA A 8 8.904 21.396 9.745 1.00 0.00 C ATOM 237 C6 DA A 8 10.298 21.631 9.700 1.00 0.00 C ATOM 238 N6 DA A 8 11.166 21.155 10.563 1.00 0.00 N ATOM 239 N1 DA A 8 10.849 22.408 8.765 1.00 0.00 N ATOM 240 C2 DA A 8 10.038 22.958 7.875 1.00 0.00 C ATOM 241 N3 DA A 8 8.719 22.845 7.778 1.00 0.00 N ATOM 242 C4 DA A 8 8.211 22.040 8.755 1.00 0.00 C ATOM 0 H5' DA A 8 3.203 22.952 10.857 1.00 0.00 H new ATOM 0 H5'' DA A 8 1.907 22.105 10.037 1.00 0.00 H new ATOM 0 H4' DA A 8 3.001 23.452 8.393 1.00 0.00 H new ATOM 0 H3' DA A 8 2.723 20.701 7.882 1.00 0.00 H new ATOM 0 H2' DA A 8 4.991 20.153 8.322 1.00 0.00 H new ATOM 0 H2'' DA A 8 5.136 20.687 6.660 1.00 0.00 H new ATOM 0 H1' DA A 8 6.151 22.700 7.247 1.00 0.00 H new ATOM 0 H8 DA A 8 5.962 20.463 10.440 1.00 0.00 H new ATOM 0 H61 DA A 8 12.158 21.371 10.461 1.00 0.00 H new ATOM 0 H62 DA A 8 10.848 20.569 11.335 1.00 0.00 H new ATOM 0 H2 DA A 8 10.512 23.580 7.130 1.00 0.00 H new ATOM 254 P DC A 9 2.554 21.210 5.212 1.00 0.00 P ATOM 255 OP1 DC A 9 1.724 22.064 4.333 1.00 0.00 O ATOM 256 OP2 DC A 9 1.957 19.955 5.709 1.00 0.00 O ATOM 257 O5' DC A 9 3.933 20.890 4.464 1.00 0.00 O ATOM 258 C5' DC A 9 4.752 21.967 4.021 1.00 0.00 C ATOM 259 C4' DC A 9 6.231 21.599 3.864 1.00 0.00 C ATOM 260 O4' DC A 9 6.863 21.237 5.070 1.00 0.00 O ATOM 261 C3' DC A 9 6.573 20.573 2.771 1.00 0.00 C ATOM 262 O3' DC A 9 7.328 21.200 1.729 1.00 0.00 O ATOM 263 C2' DC A 9 7.429 19.601 3.566 1.00 0.00 C ATOM 264 C1' DC A 9 7.958 20.420 4.730 1.00 0.00 C ATOM 265 N1 DC A 9 8.318 19.634 5.921 1.00 0.00 N ATOM 266 C2 DC A 9 9.629 19.680 6.396 1.00 0.00 C ATOM 267 O2 DC A 9 10.499 20.338 5.820 1.00 0.00 O ATOM 268 N3 DC A 9 9.985 19.012 7.513 1.00 0.00 N ATOM 269 C4 DC A 9 9.051 18.340 8.153 1.00 0.00 C ATOM 270 N4 DC A 9 9.464 17.727 9.224 1.00 0.00 N ATOM 271 C5 DC A 9 7.687 18.287 7.738 1.00 0.00 C ATOM 272 C6 DC A 9 7.352 18.947 6.595 1.00 0.00 C ATOM 0 H5' DC A 9 4.666 22.791 4.729 1.00 0.00 H new ATOM 0 H5'' DC A 9 4.374 22.328 3.065 1.00 0.00 H new ATOM 0 H4' DC A 9 6.640 22.549 3.520 1.00 0.00 H new ATOM 0 H3' DC A 9 5.719 20.115 2.273 1.00 0.00 H new ATOM 0 H2' DC A 9 6.843 18.750 3.914 1.00 0.00 H new ATOM 0 H2'' DC A 9 8.242 19.202 2.960 1.00 0.00 H new ATOM 0 H1' DC A 9 8.874 20.932 4.435 1.00 0.00 H new ATOM 0 H41 DC A 9 8.809 17.181 9.784 1.00 0.00 H new ATOM 0 H42 DC A 9 10.443 17.792 9.504 1.00 0.00 H new ATOM 0 H5 DC A 9 6.948 17.744 8.309 1.00 0.00 H new ATOM 0 H6 DC A 9 6.337 18.927 6.228 1.00 0.00 H new ATOM 284 P DG A 10 7.746 20.448 0.375 1.00 0.00 P ATOM 285 OP1 DG A 10 8.206 21.464 -0.595 1.00 0.00 O ATOM 286 OP2 DG A 10 6.628 19.563 -0.017 1.00 0.00 O ATOM 287 O5' DG A 10 8.973 19.486 0.704 1.00 0.00 O ATOM 288 C5' DG A 10 10.288 19.966 0.965 1.00 0.00 C ATOM 289 C4' DG A 10 11.313 18.835 1.189 1.00 0.00 C ATOM 290 O4' DG A 10 11.381 18.469 2.561 1.00 0.00 O ATOM 291 C3' DG A 10 11.066 17.558 0.355 1.00 0.00 C ATOM 292 O3' DG A 10 12.140 17.297 -0.535 1.00 0.00 O ATOM 293 C2' DG A 10 11.028 16.438 1.407 1.00 0.00 C ATOM 294 C1' DG A 10 11.637 17.079 2.673 1.00 0.00 C ATOM 295 N9 DG A 10 11.095 16.621 3.976 1.00 0.00 N ATOM 296 C8 DG A 10 9.807 16.318 4.341 1.00 0.00 C ATOM 297 N7 DG A 10 9.693 15.770 5.521 1.00 0.00 N ATOM 298 C5 DG A 10 11.010 15.713 5.985 1.00 0.00 C ATOM 299 C6 DG A 10 11.582 15.109 7.159 1.00 0.00 C ATOM 300 O6 DG A 10 11.035 14.486 8.073 1.00 0.00 O ATOM 301 N1 DG A 10 12.957 15.198 7.199 1.00 0.00 N ATOM 302 C2 DG A 10 13.706 15.826 6.260 1.00 0.00 C ATOM 303 N2 DG A 10 15.000 15.730 6.381 1.00 0.00 N ATOM 304 N3 DG A 10 13.225 16.409 5.167 1.00 0.00 N ATOM 305 C4 DG A 10 11.865 16.292 5.070 1.00 0.00 C ATOM 0 H5' DG A 10 10.266 20.607 1.846 1.00 0.00 H new ATOM 0 H5'' DG A 10 10.615 20.584 0.129 1.00 0.00 H new ATOM 0 H4' DG A 10 12.257 19.261 0.849 1.00 0.00 H new ATOM 0 H3' DG A 10 10.163 17.645 -0.249 1.00 0.00 H new ATOM 0 H2' DG A 10 10.009 16.096 1.586 1.00 0.00 H new ATOM 0 H2'' DG A 10 11.604 15.570 1.085 1.00 0.00 H new ATOM 0 HO3' DG A 10 11.951 16.482 -1.045 1.00 0.00 H new ATOM 0 H1' DG A 10 12.688 16.792 2.696 1.00 0.00 H new ATOM 0 H8 DG A 10 8.957 16.517 3.705 1.00 0.00 H new ATOM 0 H1 DG A 10 13.441 14.764 7.985 1.00 0.00 H new ATOM 0 H21 DG A 10 15.611 16.184 5.702 1.00 0.00 H new ATOM 0 H22 DG A 10 15.402 15.201 7.155 1.00 0.00 H new TER 318 DG A 10 ATOM 319 O5' DC B 11 18.661 11.942 13.215 1.00 0.00 O ATOM 320 C5' DC B 11 19.848 11.913 12.424 1.00 0.00 C ATOM 321 C4' DC B 11 19.707 12.641 11.075 1.00 0.00 C ATOM 322 O4' DC B 11 18.590 12.071 10.378 1.00 0.00 O ATOM 323 C3' DC B 11 19.517 14.151 11.217 1.00 0.00 C ATOM 324 O3' DC B 11 20.669 14.860 10.749 1.00 0.00 O ATOM 325 C2' DC B 11 18.239 14.408 10.424 1.00 0.00 C ATOM 326 C1' DC B 11 17.796 13.093 9.798 1.00 0.00 C ATOM 327 N1 DC B 11 16.332 12.875 9.936 1.00 0.00 N ATOM 328 C2 DC B 11 15.470 13.171 8.879 1.00 0.00 C ATOM 329 O2 DC B 11 15.884 13.342 7.731 1.00 0.00 O ATOM 330 N3 DC B 11 14.137 13.314 9.086 1.00 0.00 N ATOM 331 C4 DC B 11 13.675 13.196 10.318 1.00 0.00 C ATOM 332 N4 DC B 11 12.410 13.448 10.474 1.00 0.00 N ATOM 333 C5 DC B 11 14.503 12.883 11.428 1.00 0.00 C ATOM 334 C6 DC B 11 15.824 12.705 11.175 1.00 0.00 C ATOM 0 H5' DC B 11 20.127 10.875 12.240 1.00 0.00 H new ATOM 0 H5'' DC B 11 20.662 12.367 12.989 1.00 0.00 H new ATOM 0 H4' DC B 11 20.636 12.506 10.521 1.00 0.00 H new ATOM 0 H3' DC B 11 19.417 14.505 12.243 1.00 0.00 H new ATOM 0 H2' DC B 11 17.459 14.800 11.077 1.00 0.00 H new ATOM 0 H2'' DC B 11 18.415 15.157 9.652 1.00 0.00 H new ATOM 0 HO5' DC B 11 18.816 11.462 14.055 1.00 0.00 H new ATOM 0 H1' DC B 11 17.954 13.097 8.720 1.00 0.00 H new ATOM 0 H41 DC B 11 11.986 13.376 11.399 1.00 0.00 H new ATOM 0 H42 DC B 11 11.841 13.717 9.671 1.00 0.00 H new ATOM 0 H5 DC B 11 14.101 12.791 12.426 1.00 0.00 H new ATOM 0 H6 DC B 11 16.483 12.421 11.982 1.00 0.00 H new ATOM 347 P DG B 12 20.859 16.429 10.941 1.00 0.00 P ATOM 348 OP1 DG B 12 22.309 16.707 10.842 1.00 0.00 O ATOM 349 OP2 DG B 12 20.144 16.881 12.150 1.00 0.00 O ATOM 350 O5' DG B 12 20.138 17.097 9.688 1.00 0.00 O ATOM 351 C5' DG B 12 20.517 16.816 8.343 1.00 0.00 C ATOM 352 C4' DG B 12 19.933 17.867 7.382 1.00 0.00 C ATOM 353 O4' DG B 12 18.518 17.755 7.396 1.00 0.00 O ATOM 354 C3' DG B 12 20.350 19.285 7.799 1.00 0.00 C ATOM 355 O3' DG B 12 20.784 20.061 6.685 1.00 0.00 O ATOM 356 C2' DG B 12 19.073 19.811 8.438 1.00 0.00 C ATOM 357 C1' DG B 12 17.964 18.998 7.780 1.00 0.00 C ATOM 358 N9 DG B 12 16.801 18.752 8.667 1.00 0.00 N ATOM 359 C8 DG B 12 16.759 18.205 9.930 1.00 0.00 C ATOM 360 N7 DG B 12 15.545 18.030 10.399 1.00 0.00 N ATOM 361 C5 DG B 12 14.718 18.483 9.357 1.00 0.00 C ATOM 362 C6 DG B 12 13.282 18.492 9.189 1.00 0.00 C ATOM 363 O6 DG B 12 12.390 18.091 9.938 1.00 0.00 O ATOM 364 N1 DG B 12 12.875 19.019 7.984 1.00 0.00 N ATOM 365 C2 DG B 12 13.729 19.417 7.016 1.00 0.00 C ATOM 366 N2 DG B 12 13.216 19.859 5.911 1.00 0.00 N ATOM 367 N3 DG B 12 15.050 19.411 7.104 1.00 0.00 N ATOM 368 C4 DG B 12 15.488 18.929 8.304 1.00 0.00 C ATOM 0 H5' DG B 12 20.166 15.823 8.061 1.00 0.00 H new ATOM 0 H5'' DG B 12 21.604 16.805 8.261 1.00 0.00 H new ATOM 0 H4' DG B 12 20.317 17.688 6.378 1.00 0.00 H new ATOM 0 H3' DG B 12 21.207 19.320 8.472 1.00 0.00 H new ATOM 0 H2' DG B 12 19.082 19.671 9.519 1.00 0.00 H new ATOM 0 H2'' DG B 12 18.947 20.878 8.256 1.00 0.00 H new ATOM 0 H1' DG B 12 17.589 19.570 6.932 1.00 0.00 H new ATOM 0 H8 DG B 12 17.647 17.943 10.486 1.00 0.00 H new ATOM 0 H1 DG B 12 11.874 19.114 7.813 1.00 0.00 H new ATOM 0 H21 DG B 12 13.825 20.170 5.154 1.00 0.00 H new ATOM 0 H22 DG B 12 12.203 19.896 5.798 1.00 0.00 H new ATOM 380 P DT B 13 21.372 21.542 6.844 1.00 0.00 P ATOM 381 OP1 DT B 13 22.409 21.722 5.807 1.00 0.00 O ATOM 382 OP2 DT B 13 21.732 21.775 8.264 1.00 0.00 O ATOM 383 O5' DT B 13 20.153 22.514 6.465 1.00 0.00 O ATOM 384 C5' DT B 13 19.734 22.621 5.103 1.00 0.00 C ATOM 385 C4' DT B 13 18.386 23.321 4.888 1.00 0.00 C ATOM 386 O4' DT B 13 17.339 22.562 5.476 1.00 0.00 O ATOM 387 C3' DT B 13 18.304 24.786 5.349 1.00 0.00 C ATOM 388 O3' DT B 13 18.225 25.719 4.265 1.00 0.00 O ATOM 389 C2' DT B 13 17.039 24.766 6.196 1.00 0.00 C ATOM 390 C1' DT B 13 16.327 23.445 5.905 1.00 0.00 C ATOM 391 N1 DT B 13 15.693 22.908 7.137 1.00 0.00 N ATOM 392 C2 DT B 13 14.297 22.799 7.206 1.00 0.00 C ATOM 393 O2 DT B 13 13.541 23.046 6.264 1.00 0.00 O ATOM 394 N3 DT B 13 13.770 22.401 8.416 1.00 0.00 N ATOM 395 C4 DT B 13 14.499 22.106 9.549 1.00 0.00 C ATOM 396 O4 DT B 13 13.920 21.719 10.561 1.00 0.00 O ATOM 397 C5 DT B 13 15.939 22.287 9.423 1.00 0.00 C ATOM 398 C7 DT B 13 16.810 22.109 10.652 1.00 0.00 C ATOM 399 C6 DT B 13 16.486 22.659 8.236 1.00 0.00 C ATOM 0 H5' DT B 13 19.677 21.619 4.677 1.00 0.00 H new ATOM 0 H5'' DT B 13 20.499 23.161 4.545 1.00 0.00 H new ATOM 0 H4' DT B 13 18.274 23.369 3.805 1.00 0.00 H new ATOM 0 H3' DT B 13 19.193 25.122 5.883 1.00 0.00 H new ATOM 0 H2' DT B 13 17.283 24.847 7.255 1.00 0.00 H new ATOM 0 H2'' DT B 13 16.397 25.612 5.951 1.00 0.00 H new ATOM 0 H1' DT B 13 15.540 23.573 5.162 1.00 0.00 H new ATOM 0 H3 DT B 13 12.755 22.318 8.479 1.00 0.00 H new ATOM 0 H71 DT B 13 17.795 21.751 10.351 1.00 0.00 H new ATOM 0 H72 DT B 13 16.913 23.064 11.167 1.00 0.00 H new ATOM 0 H73 DT B 13 16.349 21.383 11.322 1.00 0.00 H new ATOM 0 H6 DT B 13 17.558 22.761 8.153 1.00 0.00 H new ATOM 412 P DC B 14 18.245 27.321 4.472 1.00 0.00 P ATOM 413 OP1 DC B 14 18.631 27.956 3.188 1.00 0.00 O ATOM 414 OP2 DC B 14 19.038 27.625 5.691 1.00 0.00 O ATOM 415 O5' DC B 14 16.716 27.717 4.731 1.00 0.00 O ATOM 416 C5' DC B 14 15.754 27.538 3.690 1.00 0.00 C ATOM 417 C4' DC B 14 14.301 27.665 4.162 1.00 0.00 C ATOM 418 O4' DC B 14 14.042 26.669 5.140 1.00 0.00 O ATOM 419 C3' DC B 14 13.918 29.049 4.715 1.00 0.00 C ATOM 420 O3' DC B 14 13.007 29.711 3.837 1.00 0.00 O ATOM 421 C2' DC B 14 13.292 28.704 6.064 1.00 0.00 C ATOM 422 C1' DC B 14 13.173 27.180 6.128 1.00 0.00 C ATOM 423 N1 DC B 14 13.542 26.650 7.460 1.00 0.00 N ATOM 424 C2 DC B 14 12.605 26.124 8.359 1.00 0.00 C ATOM 425 O2 DC B 14 11.393 26.162 8.130 1.00 0.00 O ATOM 426 N3 DC B 14 13.020 25.586 9.533 1.00 0.00 N ATOM 427 C4 DC B 14 14.313 25.587 9.807 1.00 0.00 C ATOM 428 N4 DC B 14 14.679 25.092 10.950 1.00 0.00 N ATOM 429 C5 DC B 14 15.293 26.141 8.945 1.00 0.00 C ATOM 430 C6 DC B 14 14.853 26.686 7.790 1.00 0.00 C ATOM 0 H5' DC B 14 15.896 26.555 3.242 1.00 0.00 H new ATOM 0 H5'' DC B 14 15.938 28.274 2.908 1.00 0.00 H new ATOM 0 H4' DC B 14 13.682 27.527 3.275 1.00 0.00 H new ATOM 0 H3' DC B 14 14.754 29.742 4.810 1.00 0.00 H new ATOM 0 H2' DC B 14 13.909 29.077 6.882 1.00 0.00 H new ATOM 0 H2'' DC B 14 12.313 29.171 6.165 1.00 0.00 H new ATOM 0 H1' DC B 14 12.140 26.878 5.955 1.00 0.00 H new ATOM 0 H41 DC B 14 15.667 25.072 11.204 1.00 0.00 H new ATOM 0 H42 DC B 14 13.979 24.723 11.594 1.00 0.00 H new ATOM 0 H5 DC B 14 16.342 26.128 9.200 1.00 0.00 H new ATOM 0 H6 DC B 14 15.558 27.157 7.121 1.00 0.00 H new ATOM 442 P DC B 15 12.521 31.231 4.017 1.00 0.00 P ATOM 443 OP1 DC B 15 11.730 31.580 2.821 1.00 0.00 O ATOM 444 OP2 DC B 15 13.674 32.084 4.376 1.00 0.00 O ATOM 445 O5' DC B 15 11.524 31.207 5.256 1.00 0.00 O ATOM 446 C5' DC B 15 10.239 30.590 5.158 1.00 0.00 C ATOM 447 C4' DC B 15 9.543 30.540 6.521 1.00 0.00 C ATOM 448 O4' DC B 15 10.140 29.578 7.384 1.00 0.00 O ATOM 449 C3' DC B 15 9.470 31.903 7.195 1.00 0.00 C ATOM 450 O3' DC B 15 8.141 32.400 7.153 1.00 0.00 O ATOM 451 C2' DC B 15 9.878 31.486 8.635 1.00 0.00 C ATOM 452 C1' DC B 15 9.844 29.959 8.711 1.00 0.00 C ATOM 453 N1 DC B 15 10.879 29.429 9.657 1.00 0.00 N ATOM 454 C2 DC B 15 10.509 28.776 10.842 1.00 0.00 C ATOM 455 O2 DC B 15 9.325 28.618 11.146 1.00 0.00 O ATOM 456 N3 DC B 15 11.456 28.288 11.690 1.00 0.00 N ATOM 457 C4 DC B 15 12.729 28.414 11.359 1.00 0.00 C ATOM 458 N4 DC B 15 13.630 27.891 12.143 1.00 0.00 N ATOM 459 C5 DC B 15 13.162 29.039 10.165 1.00 0.00 C ATOM 460 C6 DC B 15 12.211 29.563 9.358 1.00 0.00 C ATOM 0 H5' DC B 15 10.347 29.579 4.765 1.00 0.00 H new ATOM 0 H5'' DC B 15 9.620 31.143 4.451 1.00 0.00 H new ATOM 0 H4' DC B 15 8.518 30.227 6.324 1.00 0.00 H new ATOM 0 H3' DC B 15 10.078 32.693 6.754 1.00 0.00 H new ATOM 0 H2' DC B 15 10.875 31.857 8.871 1.00 0.00 H new ATOM 0 H2'' DC B 15 9.195 31.919 9.365 1.00 0.00 H new ATOM 0 H1' DC B 15 8.894 29.573 9.080 1.00 0.00 H new ATOM 0 H41 DC B 15 14.619 27.974 11.910 1.00 0.00 H new ATOM 0 H42 DC B 15 13.345 27.398 12.990 1.00 0.00 H new ATOM 0 H5 DC B 15 14.210 29.095 9.909 1.00 0.00 H new ATOM 0 H6 DC B 15 12.505 30.095 8.465 1.00 0.00 H new ATOM 472 P DT B 16 7.758 33.830 7.752 1.00 0.00 P ATOM 473 OP1 DT B 16 6.558 34.327 7.045 1.00 0.00 O ATOM 474 OP2 DT B 16 8.975 34.676 7.762 1.00 0.00 O ATOM 475 O5' DT B 16 7.334 33.484 9.267 1.00 0.00 O ATOM 476 C5' DT B 16 6.333 32.492 9.500 1.00 0.00 C ATOM 477 C4' DT B 16 6.278 31.872 10.906 1.00 0.00 C ATOM 478 O4' DT B 16 7.512 31.306 11.330 1.00 0.00 O ATOM 479 C3' DT B 16 5.782 32.782 12.042 1.00 0.00 C ATOM 480 O3' DT B 16 4.679 32.240 12.786 1.00 0.00 O ATOM 481 C2' DT B 16 7.034 32.797 12.924 1.00 0.00 C ATOM 482 C1' DT B 16 7.569 31.391 12.751 1.00 0.00 C ATOM 483 N1 DT B 16 8.972 31.236 13.194 1.00 0.00 N ATOM 484 C2 DT B 16 9.314 30.440 14.293 1.00 0.00 C ATOM 485 O2 DT B 16 8.492 29.851 14.995 1.00 0.00 O ATOM 486 N3 DT B 16 10.660 30.335 14.576 1.00 0.00 N ATOM 487 C4 DT B 16 11.678 30.941 13.869 1.00 0.00 C ATOM 488 O4 DT B 16 12.839 30.731 14.217 1.00 0.00 O ATOM 489 C5 DT B 16 11.244 31.764 12.735 1.00 0.00 C ATOM 490 C7 DT B 16 12.259 32.457 11.843 1.00 0.00 C ATOM 491 C6 DT B 16 9.921 31.891 12.455 1.00 0.00 C ATOM 0 H5' DT B 16 6.480 31.687 8.780 1.00 0.00 H new ATOM 0 H5'' DT B 16 5.360 32.936 9.287 1.00 0.00 H new ATOM 0 H4' DT B 16 5.526 31.099 10.747 1.00 0.00 H new ATOM 0 H3' DT B 16 5.409 33.743 11.686 1.00 0.00 H new ATOM 0 H2' DT B 16 7.753 33.548 12.597 1.00 0.00 H new ATOM 0 H2'' DT B 16 6.795 33.016 13.965 1.00 0.00 H new ATOM 0 H1' DT B 16 7.024 30.641 13.324 1.00 0.00 H new ATOM 0 H3 DT B 16 10.925 29.760 15.376 1.00 0.00 H new ATOM 0 H71 DT B 16 11.855 32.549 10.835 1.00 0.00 H new ATOM 0 H72 DT B 16 12.474 33.449 12.240 1.00 0.00 H new ATOM 0 H73 DT B 16 13.177 31.871 11.813 1.00 0.00 H new ATOM 0 H6 DT B 16 9.611 32.521 11.634 1.00 0.00 H new ATOM 504 P DG B 17 3.959 33.071 13.980 1.00 0.00 P ATOM 505 OP1 DG B 17 2.507 32.794 13.900 1.00 0.00 O ATOM 506 OP2 DG B 17 4.386 34.483 13.866 1.00 0.00 O ATOM 507 O5' DG B 17 4.495 32.537 15.411 1.00 0.00 O ATOM 508 C5' DG B 17 3.947 31.380 16.056 1.00 0.00 C ATOM 509 C4' DG B 17 4.327 31.222 17.552 1.00 0.00 C ATOM 510 O4' DG B 17 5.697 30.871 17.688 1.00 0.00 O ATOM 511 C3' DG B 17 4.029 32.456 18.424 1.00 0.00 C ATOM 512 O3' DG B 17 3.479 32.066 19.683 1.00 0.00 O ATOM 513 C2' DG B 17 5.434 33.016 18.603 1.00 0.00 C ATOM 514 C1' DG B 17 6.318 31.760 18.599 1.00 0.00 C ATOM 515 N9 DG B 17 7.668 32.069 18.087 1.00 0.00 N ATOM 516 C8 DG B 17 7.919 32.713 16.914 1.00 0.00 C ATOM 517 N7 DG B 17 9.169 32.776 16.563 1.00 0.00 N ATOM 518 C5 DG B 17 9.810 32.147 17.635 1.00 0.00 C ATOM 519 C6 DG B 17 11.204 31.912 17.863 1.00 0.00 C ATOM 520 O6 DG B 17 12.158 32.209 17.149 1.00 0.00 O ATOM 521 N1 DG B 17 11.466 31.296 19.064 1.00 0.00 N ATOM 522 C2 DG B 17 10.511 30.940 19.951 1.00 0.00 C ATOM 523 N2 DG B 17 10.934 30.326 21.020 1.00 0.00 N ATOM 524 N3 DG B 17 9.200 31.150 19.805 1.00 0.00 N ATOM 525 C4 DG B 17 8.907 31.749 18.604 1.00 0.00 C ATOM 0 H5' DG B 17 4.277 30.492 15.517 1.00 0.00 H new ATOM 0 H5'' DG B 17 2.861 31.417 15.975 1.00 0.00 H new ATOM 0 H4' DG B 17 3.685 30.422 17.921 1.00 0.00 H new ATOM 0 H3' DG B 17 3.308 33.153 17.997 1.00 0.00 H new ATOM 0 H2' DG B 17 5.701 33.698 17.796 1.00 0.00 H new ATOM 0 H2'' DG B 17 5.530 33.572 19.535 1.00 0.00 H new ATOM 0 H1' DG B 17 6.420 31.353 19.605 1.00 0.00 H new ATOM 0 H8 DG B 17 7.131 33.144 16.314 1.00 0.00 H new ATOM 0 H1 DG B 17 12.438 31.096 19.299 1.00 0.00 H new ATOM 0 H21 DG B 17 10.269 30.028 21.734 1.00 0.00 H new ATOM 0 H22 DG B 17 11.930 30.144 21.143 1.00 0.00 H new ATOM 537 P DG B 18 2.865 33.131 20.720 1.00 0.00 P ATOM 538 OP1 DG B 18 2.049 32.372 21.694 1.00 0.00 O ATOM 539 OP2 DG B 18 2.223 34.219 19.957 1.00 0.00 O ATOM 540 O5' DG B 18 4.132 33.747 21.504 1.00 0.00 O ATOM 541 C5' DG B 18 4.874 32.938 22.411 1.00 0.00 C ATOM 542 C4' DG B 18 6.238 33.473 22.877 1.00 0.00 C ATOM 543 O4' DG B 18 7.231 33.390 21.857 1.00 0.00 O ATOM 544 C3' DG B 18 6.279 34.898 23.451 1.00 0.00 C ATOM 545 O3' DG B 18 6.971 34.892 24.697 1.00 0.00 O ATOM 546 C2' DG B 18 7.126 35.606 22.399 1.00 0.00 C ATOM 547 C1' DG B 18 8.111 34.494 22.018 1.00 0.00 C ATOM 548 N9 DG B 18 8.846 34.731 20.763 1.00 0.00 N ATOM 549 C8 DG B 18 8.323 35.210 19.595 1.00 0.00 C ATOM 550 N7 DG B 18 9.208 35.442 18.664 1.00 0.00 N ATOM 551 C5 DG B 18 10.412 35.045 19.262 1.00 0.00 C ATOM 552 C6 DG B 18 11.751 35.050 18.748 1.00 0.00 C ATOM 553 O6 DG B 18 12.139 35.484 17.665 1.00 0.00 O ATOM 554 N1 DG B 18 12.675 34.488 19.603 1.00 0.00 N ATOM 555 C2 DG B 18 12.364 33.987 20.822 1.00 0.00 C ATOM 556 N2 DG B 18 13.348 33.447 21.491 1.00 0.00 N ATOM 557 N3 DG B 18 11.140 33.994 21.366 1.00 0.00 N ATOM 558 C4 DG B 18 10.196 34.545 20.529 1.00 0.00 C ATOM 0 H5' DG B 18 5.034 31.967 21.943 1.00 0.00 H new ATOM 0 H5'' DG B 18 4.258 32.769 23.294 1.00 0.00 H new ATOM 0 H4' DG B 18 6.450 32.801 23.709 1.00 0.00 H new ATOM 0 H3' DG B 18 5.303 35.348 23.633 1.00 0.00 H new ATOM 0 H2' DG B 18 6.532 35.940 21.548 1.00 0.00 H new ATOM 0 H2'' DG B 18 7.631 36.485 22.800 1.00 0.00 H new ATOM 0 H1' DG B 18 8.901 34.381 22.760 1.00 0.00 H new ATOM 0 H8 DG B 18 7.266 35.382 19.454 1.00 0.00 H new ATOM 0 H1 DG B 18 13.648 34.447 19.300 1.00 0.00 H new ATOM 0 H21 DG B 18 13.179 33.051 22.416 1.00 0.00 H new ATOM 0 H22 DG B 18 14.285 33.421 21.088 1.00 0.00 H new ATOM 570 P DA B 19 6.727 36.003 25.822 1.00 0.00 P ATOM 571 OP1 DA B 19 5.835 35.383 26.828 1.00 0.00 O ATOM 572 OP2 DA B 19 6.313 37.278 25.190 1.00 0.00 O ATOM 573 O5' DA B 19 8.182 36.217 26.474 1.00 0.00 O ATOM 574 C5' DA B 19 8.767 35.223 27.322 1.00 0.00 C ATOM 575 C4' DA B 19 10.307 35.197 27.294 1.00 0.00 C ATOM 576 O4' DA B 19 10.734 34.996 25.955 1.00 0.00 O ATOM 577 C3' DA B 19 10.939 36.473 27.865 1.00 0.00 C ATOM 578 O3' DA B 19 11.891 36.189 28.888 1.00 0.00 O ATOM 579 C2' DA B 19 11.596 37.097 26.644 1.00 0.00 C ATOM 580 C1' DA B 19 11.687 35.979 25.615 1.00 0.00 C ATOM 581 N9 DA B 19 11.389 36.499 24.268 1.00 0.00 N ATOM 582 C8 DA B 19 10.227 37.065 23.813 1.00 0.00 C ATOM 583 N7 DA B 19 10.278 37.502 22.578 1.00 0.00 N ATOM 584 C5 DA B 19 11.617 37.240 22.226 1.00 0.00 C ATOM 585 C6 DA B 19 12.427 37.482 21.093 1.00 0.00 C ATOM 586 N6 DA B 19 12.012 37.998 19.954 1.00 0.00 N ATOM 587 N1 DA B 19 13.723 37.174 21.094 1.00 0.00 N ATOM 588 C2 DA B 19 14.242 36.620 22.182 1.00 0.00 C ATOM 589 N3 DA B 19 13.614 36.302 23.310 1.00 0.00 N ATOM 590 C4 DA B 19 12.297 36.648 23.257 1.00 0.00 C ATOM 0 H5' DA B 19 8.393 34.243 27.026 1.00 0.00 H new ATOM 0 H5'' DA B 19 8.436 35.395 28.346 1.00 0.00 H new ATOM 0 H4' DA B 19 10.639 34.379 27.933 1.00 0.00 H new ATOM 0 H3' DA B 19 10.213 37.128 28.348 1.00 0.00 H new ATOM 0 H2' DA B 19 11.007 37.932 26.265 1.00 0.00 H new ATOM 0 H2'' DA B 19 12.584 37.488 26.887 1.00 0.00 H new ATOM 0 H1' DA B 19 12.693 35.560 25.611 1.00 0.00 H new ATOM 0 H8 DA B 19 9.340 37.145 24.423 1.00 0.00 H new ATOM 0 H61 DA B 19 12.670 38.137 19.187 1.00 0.00 H new ATOM 0 H62 DA B 19 11.032 38.258 19.839 1.00 0.00 H new ATOM 0 H2 DA B 19 15.299 36.402 22.147 1.00 0.00 H new ATOM 602 P DC B 20 12.469 37.333 29.849 1.00 0.00 P ATOM 603 OP1 DC B 20 13.189 36.637 30.943 1.00 0.00 O ATOM 604 OP2 DC B 20 11.347 38.239 30.181 1.00 0.00 O ATOM 605 O5' DC B 20 13.515 38.202 28.996 1.00 0.00 O ATOM 606 C5' DC B 20 14.844 37.758 28.747 1.00 0.00 C ATOM 607 C4' DC B 20 15.608 38.576 27.690 1.00 0.00 C ATOM 608 O4' DC B 20 15.091 38.319 26.385 1.00 0.00 O ATOM 609 C3' DC B 20 15.625 40.104 27.917 1.00 0.00 C ATOM 610 O3' DC B 20 16.943 40.610 28.112 1.00 0.00 O ATOM 611 C2' DC B 20 15.152 40.644 26.560 1.00 0.00 C ATOM 612 C1' DC B 20 15.323 39.464 25.585 1.00 0.00 C ATOM 613 N1 DC B 20 14.311 39.592 24.513 1.00 0.00 N ATOM 614 C2 DC B 20 14.719 39.902 23.210 1.00 0.00 C ATOM 615 O2 DC B 20 15.892 39.778 22.851 1.00 0.00 O ATOM 616 N3 DC B 20 13.828 40.392 22.316 1.00 0.00 N ATOM 617 C4 DC B 20 12.587 40.600 22.707 1.00 0.00 C ATOM 618 N4 DC B 20 11.801 41.098 21.799 1.00 0.00 N ATOM 619 C5 DC B 20 12.122 40.303 24.019 1.00 0.00 C ATOM 620 C6 DC B 20 13.007 39.763 24.883 1.00 0.00 C ATOM 0 H5' DC B 20 14.811 36.717 28.427 1.00 0.00 H new ATOM 0 H5'' DC B 20 15.403 37.786 29.682 1.00 0.00 H new ATOM 0 H4' DC B 20 16.640 38.238 27.789 1.00 0.00 H new ATOM 0 H3' DC B 20 15.034 40.380 28.790 1.00 0.00 H new ATOM 0 H2' DC B 20 14.114 40.972 26.605 1.00 0.00 H new ATOM 0 H2'' DC B 20 15.745 41.504 26.248 1.00 0.00 H new ATOM 0 HO3' DC B 20 16.904 41.579 28.250 1.00 0.00 H new ATOM 0 H1' DC B 20 16.299 39.419 25.103 1.00 0.00 H new ATOM 0 H41 DC B 20 10.824 41.289 22.020 1.00 0.00 H new ATOM 0 H42 DC B 20 12.162 41.297 20.866 1.00 0.00 H new ATOM 0 H5 DC B 20 11.102 40.502 24.311 1.00 0.00 H new ATOM 0 H6 DC B 20 12.684 39.465 25.869 1.00 0.00 H new TER 633 DC B 20 CONECT 124 125 128 145 CONECT 125 124 126 144 CONECT 126 125 127 129 CONECT 127 126 128 132 CONECT 128 124 127 CONECT 129 126 130 CONECT 130 129 131 146 CONECT 131 130 132 CONECT 132 127 131 133 CONECT 133 132 147 148 CONECT 134 135 136 137 CONECT 135 134 CONECT 136 134 CONECT 137 134 138 CONECT 138 137 139 149 150 CONECT 139 138 140 141 151 CONECT 140 139 144 CONECT 141 139 142 143 152 CONECT 142 141 CONECT 143 141 144 153 154 CONECT 144 125 140 143 155 CONECT 145 124 CONECT 146 130 CONECT 147 133 CONECT 148 133 CONECT 149 138 CONECT 150 138 CONECT 151 139 CONECT 152 141 CONECT 153 143 CONECT 154 143 CONECT 155 144 END