USER MOD reduce.3.24.130724 H: found=0, std=0, add=244, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 244 hydrogens (25 hets) HEADER DNA 17-MAR-14 2MMR TITLE AGC FAPY MODIFIED DUPLEX MAJOR ISOMER COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA_(5'-D(*CP*TP*AP*AP*(FAG)P*CP*TP*TP*CP*A)-3'); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA_(5'-D(*TP*GP*AP*AP*GP*CP*TP*TP*AP*G)-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 AFLATOXIN B1, FAPY, FORMAMIDOPYRIMIDINE, INTERCALATION, DNA ADDUCT, KEYWDS 2 DEOXYRIBONUCLEIC ACID, HYDROGEN BOND, SEQUENCE DEPENDENCE, AGC, KEYWDS 3 MAJOR ISOMER, DNA EXPDTA SOLUTION NMR AUTHOR L.LI,M.STONE REVDAT 2 23-DEC-15 2MMR 1 JRNL REVDAT 1 25-FEB-15 2MMR 0 JRNL AUTH L.LI,K.L.BROWN,R.MA,M.P.STONE JRNL TITL DNA SEQUENCE MODULATES GEOMETRICAL ISOMERISM OF THE JRNL TITL 2 TRANS-8,9-DIHYDRO-8-(2,6-DIAMINO-4-OXO-3,4-DIHYDROPYRIMID-5- JRNL TITL 3 YL-FORMAMIDO)-9-HYDROXY AFLATOXIN B1 ADDUCT. JRNL REF CHEM.RES.TOXICOL. V. 28 225 2015 JRNL REFN ISSN 0893-228X JRNL PMID 25587868 JRNL DOI 10.1021/TX5003832 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 12 REMARK 3 AUTHORS : CASE, DARDEN, CHEATHAM, III, SIMMERLING, WANG, REMARK 3 DUKE, LUO, ... AND KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2MMR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-MAR-14. REMARK 100 THE RCSB ID CODE IS RCSB103800. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283 REMARK 210 PH : 7 REMARK 210 IONIC STRENGTH : 0.1 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.5 MM DNA (5'-D(*CP*TP*AP*AP* REMARK 210 (FAG)P*CP*TP*TP*CP*A)-3'), 0.5 MM DNA (5'-D(*TP*GP*AP*AP*GP*CP* REMARK 210 TP*TP*AP*G)-3'), 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H COSY; 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 900 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : TOPSPIN 3, SPARKY 3.115 REMARK 210 METHOD USED : DGSA-DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE WITH REMARK 210 EXPERIMENTAL NOESY SPECTRUM 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 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 DC A 1 N1 - C2 - O2 ANGL. DEV. = 4.8 DEGREES REMARK 500 DC A 1 N3 - C2 - O2 ANGL. DEV. = -7.0 DEGREES REMARK 500 DT A 2 C6 - C5 - C7 ANGL. DEV. = -3.6 DEGREES REMARK 500 DA A 3 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES REMARK 500 DA A 3 C4 - C5 - C6 ANGL. DEV. = -3.2 DEGREES REMARK 500 DA A 3 C5 - C6 - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 DA A 3 N1 - C6 - N6 ANGL. DEV. = -4.8 DEGREES REMARK 500 DA A 4 C4 - C5 - C6 ANGL. DEV. = -4.1 DEGREES REMARK 500 DA A 4 C5 - C6 - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 DA A 4 N1 - C6 - N6 ANGL. DEV. = -5.2 DEGREES REMARK 500 DC A 6 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DC A 6 N3 - C2 - O2 ANGL. DEV. = -4.6 DEGREES REMARK 500 DT A 8 N3 - C2 - O2 ANGL. DEV. = -4.4 DEGREES REMARK 500 DC A 9 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DC A 9 N3 - C4 - C5 ANGL. DEV. = 3.3 DEGREES REMARK 500 DC A 9 N3 - C2 - O2 ANGL. DEV. = -5.6 DEGREES REMARK 500 DA A 10 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DA A 10 C4 - C5 - C6 ANGL. DEV. = -3.2 DEGREES REMARK 500 DA A 10 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES REMARK 500 DA A 10 N1 - C6 - N6 ANGL. DEV. = -4.4 DEGREES REMARK 500 DT B 11 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DT B 11 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DG B 12 O4' - C1' - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DG B 12 N3 - C4 - C5 ANGL. DEV. = -3.0 DEGREES REMARK 500 DG B 12 N1 - C6 - O6 ANGL. DEV. = -4.2 DEGREES REMARK 500 DA B 13 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DA B 13 N1 - C2 - N3 ANGL. DEV. = -3.3 DEGREES REMARK 500 DA B 13 C4 - C5 - C6 ANGL. DEV. = -3.8 DEGREES REMARK 500 DA B 13 C5 - C6 - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 DA B 13 N1 - C6 - N6 ANGL. DEV. = -5.7 DEGREES REMARK 500 DA B 14 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DA B 14 C4 - C5 - C6 ANGL. DEV. = -3.8 DEGREES REMARK 500 DA B 14 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DA B 14 N1 - C6 - N6 ANGL. DEV. = -4.3 DEGREES REMARK 500 DG B 15 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DC B 16 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC B 16 N3 - C4 - C5 ANGL. DEV. = 2.4 DEGREES REMARK 500 DC B 16 N3 - C2 - O2 ANGL. DEV. = -4.9 DEGREES REMARK 500 DT B 17 O4' - C1' - N1 ANGL. DEV. = 1.8 DEGREES REMARK 500 DT B 17 C4 - C5 - C6 ANGL. DEV. = 3.7 DEGREES REMARK 500 DT B 17 C5 - C6 - N1 ANGL. DEV. = -3.8 DEGREES REMARK 500 DT B 17 N3 - C2 - O2 ANGL. DEV. = -3.8 DEGREES REMARK 500 DT B 17 C6 - C5 - C7 ANGL. DEV. = -4.7 DEGREES REMARK 500 DT B 18 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA B 19 C4 - C5 - C6 ANGL. DEV. = -3.5 DEGREES REMARK 500 DA B 19 C5 - C6 - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA B 19 N1 - C6 - N6 ANGL. DEV. = -4.9 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 4 0.05 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 19862 RELATED DB: BMRB DBREF 2MMR A 1 10 PDB 2MMR 2MMR 1 10 DBREF 2MMR B 11 20 PDB 2MMR 2MMR 11 20 SEQRES 1 A 10 DC DT DA DA FAG DC DT DT DC DA SEQRES 1 B 10 DT DG DA DA DG DC DT DT DA DG HET FAG A 5 72 HETNAM FAG [1',2'-DIDEOXY[2-AMINO-5-([9-HYDROXY-AFLATOXINB2-8-YL]- HETNAM 2 FAG FORMYL-AMINO)-6-OXO-1,6-IHYDRO-PYRIMIDIN-4-YLAMINO]- HETNAM 3 FAG RIBOFURANOSE]-5-MONOPHOSPHATE GROUP FORMUL 1 FAG C27 H28 N5 O15 P LINK O3' DA A 4 P FAG A 5 1555 1555 1.61 LINK O3' FAG A 5 P DC A 6 1555 1555 1.60 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 DC O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 5 FAG O9 : rot 180:sc= 0 USER MOD Single : A 7 DT C7 :methyl -30:sc= -2.25 (180deg=-5.68!) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.0192 (180deg=-0.0192) USER MOD Single : A 10 DA O3' : rot 180:sc= 0 USER MOD Single : B 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 11 DT O5' : rot 180:sc= 0 USER MOD Single : B 17 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 20 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 6.486 20.194 5.493 1.00 0.00 O ATOM 2 C5' DC A 1 5.561 21.192 5.988 1.00 0.00 C ATOM 3 C4' DC A 1 4.088 20.749 6.028 1.00 0.00 C ATOM 4 O4' DC A 1 3.604 20.563 4.688 1.00 0.00 O ATOM 5 C3' DC A 1 3.841 19.427 6.766 1.00 0.00 C ATOM 6 O3' DC A 1 2.635 19.524 7.488 1.00 0.00 O ATOM 7 C2' DC A 1 3.818 18.405 5.635 1.00 0.00 C ATOM 8 C1' DC A 1 3.138 19.231 4.521 1.00 0.00 C ATOM 9 N1 DC A 1 3.440 18.752 3.131 1.00 0.00 N ATOM 10 C2 DC A 1 2.379 18.352 2.290 1.00 0.00 C ATOM 11 O2 DC A 1 1.190 18.372 2.629 1.00 0.00 O ATOM 12 N3 DC A 1 2.599 17.971 1.012 1.00 0.00 N ATOM 13 C4 DC A 1 3.824 17.948 0.560 1.00 0.00 C ATOM 14 N4 DC A 1 3.960 17.651 -0.706 1.00 0.00 N ATOM 15 C5 DC A 1 4.943 18.278 1.365 1.00 0.00 C ATOM 16 C6 DC A 1 4.732 18.659 2.638 1.00 0.00 C ATOM 0 H5' DC A 1 5.641 22.081 5.363 1.00 0.00 H new ATOM 0 H5'' DC A 1 5.865 21.481 6.994 1.00 0.00 H new ATOM 0 H4' DC A 1 3.570 21.542 6.567 1.00 0.00 H new ATOM 0 H3' DC A 1 4.587 19.154 7.512 1.00 0.00 H new ATOM 0 H2' DC A 1 4.818 18.075 5.354 1.00 0.00 H new ATOM 0 H2'' DC A 1 3.249 17.512 5.895 1.00 0.00 H new ATOM 0 HO5' DC A 1 7.396 20.559 5.500 1.00 0.00 H new ATOM 0 H1' DC A 1 2.056 19.138 4.618 1.00 0.00 H new ATOM 0 H41 DC A 1 4.890 17.615 -1.124 1.00 0.00 H new ATOM 0 H42 DC A 1 3.137 17.455 -1.275 1.00 0.00 H new ATOM 0 H5 DC A 1 5.945 18.225 0.965 1.00 0.00 H new ATOM 0 H6 DC A 1 5.571 18.893 3.277 1.00 0.00 H new ATOM 29 P DT A 2 2.097 18.366 8.471 1.00 0.00 P ATOM 30 OP1 DT A 2 1.242 19.021 9.473 1.00 0.00 O ATOM 31 OP2 DT A 2 3.253 17.560 8.959 1.00 0.00 O ATOM 32 O5' DT A 2 1.162 17.428 7.556 1.00 0.00 O ATOM 33 C5' DT A 2 -0.067 17.933 7.037 1.00 0.00 C ATOM 34 C4' DT A 2 -0.843 16.883 6.236 1.00 0.00 C ATOM 35 O4' DT A 2 -0.228 16.667 4.966 1.00 0.00 O ATOM 36 C3' DT A 2 -0.932 15.511 6.934 1.00 0.00 C ATOM 37 O3' DT A 2 -2.202 14.888 6.804 1.00 0.00 O ATOM 38 C2' DT A 2 0.051 14.665 6.132 1.00 0.00 C ATOM 39 C1' DT A 2 -0.223 15.274 4.744 1.00 0.00 C ATOM 40 N1 DT A 2 0.708 14.941 3.639 1.00 0.00 N ATOM 41 C2 DT A 2 0.166 14.687 2.373 1.00 0.00 C ATOM 42 O2 DT A 2 -1.035 14.502 2.159 1.00 0.00 O ATOM 43 N3 DT A 2 1.078 14.571 1.341 1.00 0.00 N ATOM 44 C4 DT A 2 2.451 14.628 1.446 1.00 0.00 C ATOM 45 O4 DT A 2 3.130 14.446 0.440 1.00 0.00 O ATOM 46 C5 DT A 2 2.952 14.892 2.795 1.00 0.00 C ATOM 47 C7 DT A 2 4.441 15.009 3.066 1.00 0.00 C ATOM 48 C6 DT A 2 2.074 15.052 3.822 1.00 0.00 C ATOM 0 H5' DT A 2 0.138 18.793 6.399 1.00 0.00 H new ATOM 0 H5'' DT A 2 -0.687 18.288 7.861 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.849 17.290 6.138 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.741 15.614 8.002 1.00 0.00 H new ATOM 0 H2' DT A 2 1.084 14.792 6.456 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.169 13.598 6.179 1.00 0.00 H new ATOM 0 H1' DT A 2 -1.157 14.846 4.379 1.00 0.00 H new ATOM 0 H3 DT A 2 0.696 14.429 0.406 1.00 0.00 H new ATOM 0 H71 DT A 2 4.606 15.688 3.902 1.00 0.00 H new ATOM 0 H72 DT A 2 4.844 14.027 3.311 1.00 0.00 H new ATOM 0 H73 DT A 2 4.943 15.396 2.179 1.00 0.00 H new ATOM 0 H6 DT A 2 2.455 15.272 4.808 1.00 0.00 H new ATOM 61 P DA A 3 -3.497 15.341 7.649 1.00 0.00 P ATOM 62 OP1 DA A 3 -3.649 16.824 7.666 1.00 0.00 O ATOM 63 OP2 DA A 3 -3.479 14.619 8.938 1.00 0.00 O ATOM 64 O5' DA A 3 -4.651 14.730 6.706 1.00 0.00 O ATOM 65 C5' DA A 3 -4.881 13.327 6.641 1.00 0.00 C ATOM 66 C4' DA A 3 -5.412 12.932 5.251 1.00 0.00 C ATOM 67 O4' DA A 3 -4.311 12.924 4.314 1.00 0.00 O ATOM 68 C3' DA A 3 -5.971 11.495 5.258 1.00 0.00 C ATOM 69 O3' DA A 3 -6.961 11.400 4.237 1.00 0.00 O ATOM 70 C2' DA A 3 -4.698 10.689 4.951 1.00 0.00 C ATOM 71 C1' DA A 3 -4.016 11.601 3.930 1.00 0.00 C ATOM 72 N9 DA A 3 -2.535 11.409 3.841 1.00 0.00 N ATOM 73 C8 DA A 3 -1.621 11.298 4.854 1.00 0.00 C ATOM 74 N7 DA A 3 -0.375 11.241 4.447 1.00 0.00 N ATOM 75 C5 DA A 3 -0.479 11.261 3.054 1.00 0.00 C ATOM 76 C6 DA A 3 0.419 11.219 1.977 1.00 0.00 C ATOM 77 N6 DA A 3 1.733 11.127 2.104 1.00 0.00 N ATOM 78 N1 DA A 3 0.001 11.240 0.710 1.00 0.00 N ATOM 79 C2 DA A 3 -1.308 11.301 0.488 1.00 0.00 C ATOM 80 N3 DA A 3 -2.293 11.369 1.401 1.00 0.00 N ATOM 81 C4 DA A 3 -1.800 11.325 2.673 1.00 0.00 C ATOM 0 H5' DA A 3 -5.598 13.034 7.408 1.00 0.00 H new ATOM 0 H5'' DA A 3 -3.955 12.791 6.849 1.00 0.00 H new ATOM 0 H4' DA A 3 -6.191 13.645 4.980 1.00 0.00 H new ATOM 0 H3' DA A 3 -6.462 11.157 6.170 1.00 0.00 H new ATOM 0 H2' DA A 3 -4.085 10.532 5.838 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.922 9.705 4.540 1.00 0.00 H new ATOM 0 H1' DA A 3 -4.394 11.359 2.937 1.00 0.00 H new ATOM 0 H8 DA A 3 -1.901 11.261 5.896 1.00 0.00 H new ATOM 0 H61 DA A 3 2.325 11.101 1.274 1.00 0.00 H new ATOM 0 H62 DA A 3 2.154 11.082 3.032 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.617 11.295 -0.547 1.00 0.00 H new ATOM 93 P DA A 4 -7.793 10.052 3.948 1.00 0.00 P ATOM 94 OP1 DA A 4 -9.067 10.476 3.292 1.00 0.00 O ATOM 95 OP2 DA A 4 -7.857 9.270 5.218 1.00 0.00 O ATOM 96 O5' DA A 4 -6.916 9.216 2.861 1.00 0.00 O ATOM 97 C5' DA A 4 -6.940 9.558 1.470 1.00 0.00 C ATOM 98 C4' DA A 4 -6.265 8.487 0.583 1.00 0.00 C ATOM 99 O4' DA A 4 -4.842 8.576 0.670 1.00 0.00 O ATOM 100 C3' DA A 4 -6.649 7.046 0.982 1.00 0.00 C ATOM 101 O3' DA A 4 -6.753 6.153 -0.135 1.00 0.00 O ATOM 102 C2' DA A 4 -5.437 6.630 1.805 1.00 0.00 C ATOM 103 C1' DA A 4 -4.311 7.302 1.045 1.00 0.00 C ATOM 104 N9 DA A 4 -3.024 7.503 1.718 1.00 0.00 N ATOM 105 C8 DA A 4 -2.757 7.559 3.061 1.00 0.00 C ATOM 106 N7 DA A 4 -1.492 7.541 3.363 1.00 0.00 N ATOM 107 C5 DA A 4 -0.872 7.536 2.100 1.00 0.00 C ATOM 108 C6 DA A 4 0.463 7.500 1.629 1.00 0.00 C ATOM 109 N6 DA A 4 1.516 7.487 2.406 1.00 0.00 N ATOM 110 N1 DA A 4 0.762 7.439 0.333 1.00 0.00 N ATOM 111 C2 DA A 4 -0.240 7.439 -0.535 1.00 0.00 C ATOM 112 N3 DA A 4 -1.539 7.481 -0.261 1.00 0.00 N ATOM 113 C4 DA A 4 -1.794 7.509 1.088 1.00 0.00 C ATOM 0 H5' DA A 4 -6.436 10.514 1.326 1.00 0.00 H new ATOM 0 H5'' DA A 4 -7.973 9.691 1.150 1.00 0.00 H new ATOM 0 H4' DA A 4 -6.617 8.689 -0.429 1.00 0.00 H new ATOM 0 H3' DA A 4 -7.619 7.009 1.478 1.00 0.00 H new ATOM 0 H2' DA A 4 -5.502 6.979 2.836 1.00 0.00 H new ATOM 0 H2'' DA A 4 -5.318 5.547 1.842 1.00 0.00 H new ATOM 0 H1' DA A 4 -4.037 6.625 0.236 1.00 0.00 H new ATOM 0 H8 DA A 4 -3.535 7.614 3.809 1.00 0.00 H new ATOM 0 H61 DA A 4 2.451 7.461 1.998 1.00 0.00 H new ATOM 0 H62 DA A 4 1.402 7.503 3.419 1.00 0.00 H new ATOM 0 H2 DA A 4 0.030 7.401 -1.580 1.00 0.00 H new HETATM 125 C3A FAG A 5 2.426 3.304 0.484 1.00 0.00 C HETATM 126 C3 FAG A 5 3.398 3.240 -0.584 1.00 0.00 C HETATM 127 C2A FAG A 5 4.744 2.740 -0.098 1.00 0.00 C HETATM 128 C1 FAG A 5 4.504 2.563 1.383 1.00 0.00 C HETATM 129 O1 FAG A 5 5.393 2.162 2.141 1.00 0.00 O HETATM 130 P FAG A 5 -8.056 6.108 -1.085 1.00 0.00 P HETATM 131 O1P FAG A 5 -7.967 7.235 -2.066 1.00 0.00 O HETATM 132 O2P FAG A 5 -9.257 5.971 -0.234 1.00 0.00 O HETATM 133 O5' FAG A 5 -7.808 4.741 -1.896 1.00 0.00 O HETATM 134 C5' FAG A 5 -7.962 3.475 -1.250 1.00 0.00 C HETATM 135 C4' FAG A 5 -7.259 2.359 -2.020 1.00 0.00 C HETATM 136 O4' FAG A 5 -5.850 2.446 -1.736 1.00 0.00 O HETATM 137 C1' FAG A 5 -5.437 1.331 -0.942 1.00 0.00 C HETATM 138 N9 FAG A 5 -4.413 1.282 0.108 1.00 0.00 N HETATM 139 C4 FAG A 5 -3.108 1.021 0.089 1.00 0.00 C HETATM 140 N3 FAG A 5 -2.549 0.986 -1.119 1.00 0.00 N HETATM 141 C2 FAG A 5 -1.267 0.687 -1.121 1.00 0.00 C HETATM 142 N2 FAG A 5 -0.628 0.665 -2.240 1.00 0.00 N HETATM 143 N1 FAG A 5 -0.530 0.428 -0.040 1.00 0.00 N HETATM 144 C6 FAG A 5 -1.064 0.440 1.203 1.00 0.00 C HETATM 145 O6 FAG A 5 -0.309 0.221 2.139 1.00 0.00 O HETATM 146 C5 FAG A 5 -2.472 0.775 1.269 1.00 0.00 C HETATM 147 N7 FAG A 5 -3.000 0.784 2.532 1.00 0.00 N HETATM 148 C8 FAG A 5 -3.574 -0.465 2.758 1.00 0.00 C HETATM 149 O8 FAG A 5 -2.895 -1.480 2.903 1.00 0.00 O HETATM 150 C2' FAG A 5 -6.734 0.723 -0.387 1.00 0.00 C HETATM 151 C3' FAG A 5 -7.714 0.961 -1.526 1.00 0.00 C HETATM 152 O3' FAG A 5 -7.515 -0.098 -2.479 1.00 0.00 O HETATM 153 C8A FAG A 5 -3.340 1.944 3.348 1.00 0.00 C HETATM 154 C9 FAG A 5 -2.065 2.500 4.035 1.00 0.00 C HETATM 155 O9 FAG A 5 -2.285 2.822 5.409 1.00 0.00 O HETATM 156 C9A FAG A 5 -1.723 3.775 3.310 1.00 0.00 C HETATM 157 C9B FAG A 5 -0.808 3.752 2.168 1.00 0.00 C HETATM 158 O7 FAG A 5 -4.028 3.123 2.969 1.00 0.00 O HETATM 159 C6A FAG A 5 -3.084 4.157 2.758 1.00 0.00 C HETATM 160 O6A FAG A 5 -2.938 4.148 1.349 1.00 0.00 O HETATM 161 C5M FAG A 5 -1.633 4.021 1.102 1.00 0.00 C HETATM 162 C5B FAG A 5 -1.117 4.104 -0.175 1.00 0.00 C HETATM 163 C4B FAG A 5 0.235 3.906 -0.433 1.00 0.00 C HETATM 164 O4 FAG A 5 0.748 3.917 -1.678 1.00 0.00 O HETATM 165 CM FAG A 5 0.055 4.179 -2.885 1.00 0.00 C HETATM 166 C4A FAG A 5 1.066 3.608 0.631 1.00 0.00 C HETATM 167 CAA FAG A 5 0.545 3.532 1.918 1.00 0.00 C HETATM 168 O10 FAG A 5 1.298 3.227 2.955 1.00 0.00 O HETATM 169 C11 FAG A 5 2.560 2.865 2.866 1.00 0.00 C HETATM 170 O11 FAG A 5 3.167 2.528 3.873 1.00 0.00 O HETATM 171 CBA FAG A 5 3.150 2.904 1.580 1.00 0.00 C HETATM 0 HN22 FAG A 5 0.366 0.435 -2.255 1.00 0.00 H new HETATM 0 HN21 FAG A 5 -1.116 0.878 -3.110 1.00 0.00 H new HETATM 0 H5'2 FAG A 5 -7.558 3.531 -0.239 1.00 0.00 H new HETATM 0 H5'1 FAG A 5 -9.022 3.241 -1.157 1.00 0.00 H new HETATM 0 H2A2 FAG A 5 5.028 1.804 -0.579 1.00 0.00 H new HETATM 0 H2A1 FAG A 5 5.541 3.456 -0.298 1.00 0.00 H new HETATM 0 H2'2 FAG A 5 -6.622 -0.337 -0.161 1.00 0.00 H new HETATM 0 H2'1 FAG A 5 -7.052 1.213 0.533 1.00 0.00 H new HETATM 0 HO9 FAG A 5 -1.456 3.167 5.801 1.00 0.00 H new HETATM 0 HN9 FAG A 5 -4.774 1.490 1.039 1.00 0.00 H new HETATM 0 HM3 FAG A 5 -0.741 3.446 -3.014 1.00 0.00 H new HETATM 0 HM2 FAG A 5 -0.375 5.180 -2.848 1.00 0.00 H new HETATM 0 HM1 FAG A 5 0.748 4.113 -3.724 1.00 0.00 H new HETATM 0 H9A FAG A 5 -1.195 4.421 4.011 1.00 0.00 H new HETATM 0 H9 FAG A 5 -1.276 1.749 3.995 1.00 0.00 H new HETATM 0 H8A FAG A 5 -4.123 1.400 3.876 1.00 0.00 H new HETATM 0 H8 FAG A 5 -4.660 -0.545 2.808 1.00 0.00 H new HETATM 0 H6A FAG A 5 -3.400 5.095 3.215 1.00 0.00 H new HETATM 0 H5B FAG A 5 -1.787 4.331 -1.004 1.00 0.00 H new HETATM 0 H4' FAG A 5 -7.492 2.473 -3.079 1.00 0.00 H new HETATM 0 H32 FAG A 5 3.029 2.582 -1.371 1.00 0.00 H new HETATM 0 H31 FAG A 5 3.517 4.229 -1.026 1.00 0.00 H new HETATM 0 H3' FAG A 5 -8.779 0.952 -1.296 1.00 0.00 H new HETATM 0 H1' FAG A 5 -4.816 0.831 -1.686 1.00 0.00 H new HETATM 0 H1 FAG A 5 0.461 0.216 -0.153 1.00 0.00 H new ATOM 197 P DC A 6 -8.414 -0.305 -3.791 1.00 0.00 P ATOM 198 OP1 DC A 6 -8.963 0.993 -4.262 1.00 0.00 O ATOM 199 OP2 DC A 6 -9.361 -1.413 -3.512 1.00 0.00 O ATOM 200 O5' DC A 6 -7.281 -0.832 -4.809 1.00 0.00 O ATOM 201 C5' DC A 6 -6.474 0.060 -5.536 1.00 0.00 C ATOM 202 C4' DC A 6 -5.204 -0.584 -6.107 1.00 0.00 C ATOM 203 O4' DC A 6 -4.161 -0.553 -5.124 1.00 0.00 O ATOM 204 C3' DC A 6 -5.346 -2.035 -6.605 1.00 0.00 C ATOM 205 O3' DC A 6 -4.556 -2.191 -7.789 1.00 0.00 O ATOM 206 C2' DC A 6 -4.827 -2.790 -5.396 1.00 0.00 C ATOM 207 C1' DC A 6 -3.737 -1.883 -4.851 1.00 0.00 C ATOM 208 N1 DC A 6 -3.421 -2.041 -3.397 1.00 0.00 N ATOM 209 C2 DC A 6 -2.125 -2.416 -3.027 1.00 0.00 C ATOM 210 O2 DC A 6 -1.222 -2.544 -3.841 1.00 0.00 O ATOM 211 N3 DC A 6 -1.826 -2.636 -1.732 1.00 0.00 N ATOM 212 C4 DC A 6 -2.782 -2.490 -0.829 1.00 0.00 C ATOM 213 N4 DC A 6 -2.426 -2.751 0.400 1.00 0.00 N ATOM 214 C5 DC A 6 -4.108 -2.101 -1.131 1.00 0.00 C ATOM 215 C6 DC A 6 -4.389 -1.884 -2.443 1.00 0.00 C ATOM 0 H5' DC A 6 -6.191 0.890 -4.889 1.00 0.00 H new ATOM 0 H5'' DC A 6 -7.058 0.480 -6.355 1.00 0.00 H new ATOM 0 H4' DC A 6 -4.973 0.016 -6.987 1.00 0.00 H new ATOM 0 H3' DC A 6 -6.339 -2.373 -6.901 1.00 0.00 H new ATOM 0 H2' DC A 6 -5.613 -2.959 -4.660 1.00 0.00 H new ATOM 0 H2'' DC A 6 -4.434 -3.768 -5.672 1.00 0.00 H new ATOM 0 H1' DC A 6 -2.801 -2.153 -5.341 1.00 0.00 H new ATOM 0 H41 DC A 6 -3.104 -2.663 1.157 1.00 0.00 H new ATOM 0 H42 DC A 6 -1.470 -3.043 0.603 1.00 0.00 H new ATOM 0 H5 DC A 6 -4.856 -1.983 -0.361 1.00 0.00 H new ATOM 0 H6 DC A 6 -5.385 -1.585 -2.735 1.00 0.00 H new ATOM 227 P DT A 7 -4.423 -3.576 -8.601 1.00 0.00 P ATOM 228 OP1 DT A 7 -4.400 -3.239 -10.035 1.00 0.00 O ATOM 229 OP2 DT A 7 -5.426 -4.542 -8.122 1.00 0.00 O ATOM 230 O5' DT A 7 -2.961 -4.115 -8.146 1.00 0.00 O ATOM 231 C5' DT A 7 -1.767 -3.409 -8.485 1.00 0.00 C ATOM 232 C4' DT A 7 -0.486 -4.208 -8.210 1.00 0.00 C ATOM 233 O4' DT A 7 -0.251 -4.325 -6.806 1.00 0.00 O ATOM 234 C3' DT A 7 -0.467 -5.613 -8.818 1.00 0.00 C ATOM 235 O3' DT A 7 0.800 -5.842 -9.419 1.00 0.00 O ATOM 236 C2' DT A 7 -0.761 -6.476 -7.600 1.00 0.00 C ATOM 237 C1' DT A 7 -0.156 -5.701 -6.440 1.00 0.00 C ATOM 238 N1 DT A 7 -0.820 -5.888 -5.127 1.00 0.00 N ATOM 239 C2 DT A 7 -0.030 -6.197 -4.007 1.00 0.00 C ATOM 240 O2 DT A 7 1.150 -6.507 -4.085 1.00 0.00 O ATOM 241 N3 DT A 7 -0.647 -6.207 -2.792 1.00 0.00 N ATOM 242 C4 DT A 7 -1.978 -6.015 -2.548 1.00 0.00 C ATOM 243 O4 DT A 7 -2.402 -6.104 -1.401 1.00 0.00 O ATOM 244 C5 DT A 7 -2.763 -5.726 -3.744 1.00 0.00 C ATOM 245 C7 DT A 7 -4.251 -5.453 -3.609 1.00 0.00 C ATOM 246 C6 DT A 7 -2.181 -5.657 -4.970 1.00 0.00 C ATOM 0 H5' DT A 7 -1.733 -2.477 -7.921 1.00 0.00 H new ATOM 0 H5'' DT A 7 -1.800 -3.142 -9.541 1.00 0.00 H new ATOM 0 H4' DT A 7 0.302 -3.634 -8.697 1.00 0.00 H new ATOM 0 H3' DT A 7 -1.178 -5.809 -9.621 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.833 -6.623 -7.465 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.313 -7.465 -7.695 1.00 0.00 H new ATOM 0 H1' DT A 7 0.860 -6.067 -6.291 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.053 -6.375 -1.980 1.00 0.00 H new ATOM 0 H71 DT A 7 -4.645 -6.001 -2.753 1.00 0.00 H new ATOM 0 H72 DT A 7 -4.413 -4.385 -3.462 1.00 0.00 H new ATOM 0 H73 DT A 7 -4.764 -5.777 -4.515 1.00 0.00 H new ATOM 0 H6 DT A 7 -2.784 -5.419 -5.834 1.00 0.00 H new ATOM 259 P DT A 8 1.241 -7.211 -10.144 1.00 0.00 P ATOM 260 OP1 DT A 8 2.269 -6.840 -11.144 1.00 0.00 O ATOM 261 OP2 DT A 8 0.016 -7.932 -10.587 1.00 0.00 O ATOM 262 O5' DT A 8 1.964 -8.030 -8.960 1.00 0.00 O ATOM 263 C5' DT A 8 3.191 -7.585 -8.385 1.00 0.00 C ATOM 264 C4' DT A 8 3.726 -8.458 -7.242 1.00 0.00 C ATOM 265 O4' DT A 8 2.871 -8.381 -6.115 1.00 0.00 O ATOM 266 C3' DT A 8 3.912 -9.939 -7.608 1.00 0.00 C ATOM 267 O3' DT A 8 5.212 -10.313 -7.186 1.00 0.00 O ATOM 268 C2' DT A 8 2.792 -10.614 -6.811 1.00 0.00 C ATOM 269 C1' DT A 8 2.643 -9.665 -5.597 1.00 0.00 C ATOM 270 N1 DT A 8 1.335 -9.684 -4.899 1.00 0.00 N ATOM 271 C2 DT A 8 1.355 -9.774 -3.502 1.00 0.00 C ATOM 272 O2 DT A 8 2.372 -9.925 -2.823 1.00 0.00 O ATOM 273 N3 DT A 8 0.148 -9.723 -2.849 1.00 0.00 N ATOM 274 C4 DT A 8 -1.075 -9.570 -3.438 1.00 0.00 C ATOM 275 O4 DT A 8 -2.085 -9.538 -2.729 1.00 0.00 O ATOM 276 C5 DT A 8 -1.045 -9.455 -4.912 1.00 0.00 C ATOM 277 C7 DT A 8 -2.344 -9.315 -5.703 1.00 0.00 C ATOM 278 C6 DT A 8 0.142 -9.499 -5.576 1.00 0.00 C ATOM 0 H5' DT A 8 3.053 -6.570 -8.013 1.00 0.00 H new ATOM 0 H5'' DT A 8 3.946 -7.537 -9.170 1.00 0.00 H new ATOM 0 H4' DT A 8 4.713 -8.054 -7.019 1.00 0.00 H new ATOM 0 H3' DT A 8 3.847 -10.198 -8.665 1.00 0.00 H new ATOM 0 H2' DT A 8 1.869 -10.688 -7.387 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.060 -11.626 -6.507 1.00 0.00 H new ATOM 0 H1' DT A 8 3.345 -9.990 -4.829 1.00 0.00 H new ATOM 0 H3 DT A 8 0.166 -9.807 -1.833 1.00 0.00 H new ATOM 0 H71 DT A 8 -2.158 -8.738 -6.609 1.00 0.00 H new ATOM 0 H72 DT A 8 -2.714 -10.304 -5.972 1.00 0.00 H new ATOM 0 H73 DT A 8 -3.088 -8.803 -5.093 1.00 0.00 H new ATOM 0 H6 DT A 8 0.153 -9.388 -6.650 1.00 0.00 H new ATOM 291 P DC A 9 5.845 -11.791 -7.412 1.00 0.00 P ATOM 292 OP1 DC A 9 7.311 -11.658 -7.656 1.00 0.00 O ATOM 293 OP2 DC A 9 5.014 -12.537 -8.387 1.00 0.00 O ATOM 294 O5' DC A 9 5.643 -12.487 -5.968 1.00 0.00 O ATOM 295 C5' DC A 9 6.402 -12.078 -4.834 1.00 0.00 C ATOM 296 C4' DC A 9 6.129 -12.890 -3.556 1.00 0.00 C ATOM 297 O4' DC A 9 4.832 -12.559 -3.078 1.00 0.00 O ATOM 298 C3' DC A 9 6.224 -14.436 -3.739 1.00 0.00 C ATOM 299 O3' DC A 9 6.993 -15.021 -2.690 1.00 0.00 O ATOM 300 C2' DC A 9 4.753 -14.829 -3.722 1.00 0.00 C ATOM 301 C1' DC A 9 4.133 -13.775 -2.786 1.00 0.00 C ATOM 302 N1 DC A 9 2.670 -13.579 -2.930 1.00 0.00 N ATOM 303 C2 DC A 9 1.830 -13.588 -1.805 1.00 0.00 C ATOM 304 O2 DC A 9 2.258 -13.763 -0.670 1.00 0.00 O ATOM 305 N3 DC A 9 0.501 -13.366 -1.916 1.00 0.00 N ATOM 306 C4 DC A 9 0.032 -13.110 -3.136 1.00 0.00 C ATOM 307 N4 DC A 9 -1.256 -12.886 -3.178 1.00 0.00 N ATOM 308 C5 DC A 9 0.824 -13.007 -4.313 1.00 0.00 C ATOM 309 C6 DC A 9 2.152 -13.274 -4.165 1.00 0.00 C ATOM 0 H5' DC A 9 6.193 -11.027 -4.633 1.00 0.00 H new ATOM 0 H5'' DC A 9 7.462 -12.152 -5.077 1.00 0.00 H new ATOM 0 H4' DC A 9 6.912 -12.622 -2.846 1.00 0.00 H new ATOM 0 H3' DC A 9 6.734 -14.773 -4.642 1.00 0.00 H new ATOM 0 H2' DC A 9 4.313 -14.795 -4.719 1.00 0.00 H new ATOM 0 H2'' DC A 9 4.608 -15.841 -3.344 1.00 0.00 H new ATOM 0 H1' DC A 9 4.242 -14.111 -1.755 1.00 0.00 H new ATOM 0 H41 DC A 9 -1.709 -12.680 -4.068 1.00 0.00 H new ATOM 0 H42 DC A 9 -1.807 -12.917 -2.320 1.00 0.00 H new ATOM 0 H5 DC A 9 0.398 -12.733 -5.267 1.00 0.00 H new ATOM 0 H6 DC A 9 2.803 -13.246 -5.026 1.00 0.00 H new ATOM 321 P DA A 10 7.362 -16.596 -2.666 1.00 0.00 P ATOM 322 OP1 DA A 10 8.597 -16.772 -1.865 1.00 0.00 O ATOM 323 OP2 DA A 10 7.317 -17.130 -4.048 1.00 0.00 O ATOM 324 O5' DA A 10 6.153 -17.266 -1.859 1.00 0.00 O ATOM 325 C5' DA A 10 5.957 -16.971 -0.473 1.00 0.00 C ATOM 326 C4' DA A 10 4.716 -17.612 0.139 1.00 0.00 C ATOM 327 O4' DA A 10 3.544 -16.899 -0.257 1.00 0.00 O ATOM 328 C3' DA A 10 4.544 -19.097 -0.235 1.00 0.00 C ATOM 329 O3' DA A 10 4.330 -19.908 0.917 1.00 0.00 O ATOM 330 C2' DA A 10 3.289 -19.050 -1.083 1.00 0.00 C ATOM 331 C1' DA A 10 2.542 -17.893 -0.430 1.00 0.00 C ATOM 332 N9 DA A 10 1.406 -17.369 -1.230 1.00 0.00 N ATOM 333 C8 DA A 10 1.354 -17.070 -2.584 1.00 0.00 C ATOM 334 N7 DA A 10 0.194 -16.618 -3.000 1.00 0.00 N ATOM 335 C5 DA A 10 -0.584 -16.676 -1.833 1.00 0.00 C ATOM 336 C6 DA A 10 -1.941 -16.387 -1.525 1.00 0.00 C ATOM 337 N6 DA A 10 -2.834 -15.922 -2.406 1.00 0.00 N ATOM 338 N1 DA A 10 -2.433 -16.611 -0.322 1.00 0.00 N ATOM 339 C2 DA A 10 -1.622 -17.104 0.609 1.00 0.00 C ATOM 340 N3 DA A 10 -0.327 -17.402 0.487 1.00 0.00 N ATOM 341 C4 DA A 10 0.139 -17.150 -0.763 1.00 0.00 C ATOM 0 H5' DA A 10 5.891 -15.890 -0.350 1.00 0.00 H new ATOM 0 H5'' DA A 10 6.834 -17.302 0.084 1.00 0.00 H new ATOM 0 H4' DA A 10 4.855 -17.560 1.219 1.00 0.00 H new ATOM 0 H3' DA A 10 5.416 -19.525 -0.729 1.00 0.00 H new ATOM 0 H2' DA A 10 3.508 -18.859 -2.134 1.00 0.00 H new ATOM 0 H2'' DA A 10 2.726 -19.982 -1.039 1.00 0.00 H new ATOM 0 HO3' DA A 10 4.223 -20.843 0.644 1.00 0.00 H new ATOM 0 H1' DA A 10 2.070 -18.215 0.498 1.00 0.00 H new ATOM 0 H8 DA A 10 2.200 -17.199 -3.243 1.00 0.00 H new ATOM 0 H61 DA A 10 -3.793 -15.737 -2.111 1.00 0.00 H new ATOM 0 H62 DA A 10 -2.556 -15.752 -3.373 1.00 0.00 H new ATOM 0 H2 DA A 10 -2.063 -17.285 1.578 1.00 0.00 H new TER 354 DA A 10 ATOM 355 O5' DT B 11 -11.364 -18.747 3.064 1.00 0.00 O ATOM 356 C5' DT B 11 -10.825 -17.581 3.705 1.00 0.00 C ATOM 357 C4' DT B 11 -9.426 -17.842 4.293 1.00 0.00 C ATOM 358 O4' DT B 11 -8.477 -17.980 3.242 1.00 0.00 O ATOM 359 C3' DT B 11 -8.965 -16.693 5.181 1.00 0.00 C ATOM 360 O3' DT B 11 -8.283 -17.232 6.312 1.00 0.00 O ATOM 361 C2' DT B 11 -8.114 -15.866 4.218 1.00 0.00 C ATOM 362 C1' DT B 11 -7.476 -16.974 3.372 1.00 0.00 C ATOM 363 N1 DT B 11 -7.018 -16.517 2.031 1.00 0.00 N ATOM 364 C2 DT B 11 -5.678 -16.746 1.659 1.00 0.00 C ATOM 365 O2 DT B 11 -4.863 -17.306 2.395 1.00 0.00 O ATOM 366 N3 DT B 11 -5.254 -16.255 0.450 1.00 0.00 N ATOM 367 C4 DT B 11 -6.047 -15.594 -0.457 1.00 0.00 C ATOM 368 O4 DT B 11 -5.536 -15.245 -1.512 1.00 0.00 O ATOM 369 C5 DT B 11 -7.430 -15.407 -0.038 1.00 0.00 C ATOM 370 C7 DT B 11 -8.408 -14.698 -0.962 1.00 0.00 C ATOM 371 C6 DT B 11 -7.872 -15.881 1.156 1.00 0.00 C ATOM 0 H5' DT B 11 -11.498 -17.260 4.500 1.00 0.00 H new ATOM 0 H5'' DT B 11 -10.769 -16.764 2.985 1.00 0.00 H new ATOM 0 H4' DT B 11 -9.493 -18.754 4.886 1.00 0.00 H new ATOM 0 H3' DT B 11 -9.740 -16.068 5.625 1.00 0.00 H new ATOM 0 H2' DT B 11 -8.715 -15.183 3.618 1.00 0.00 H new ATOM 0 H2'' DT B 11 -7.370 -15.263 4.738 1.00 0.00 H new ATOM 0 HO5' DT B 11 -12.253 -18.542 2.705 1.00 0.00 H new ATOM 0 H1' DT B 11 -6.572 -17.335 3.863 1.00 0.00 H new ATOM 0 H3 DT B 11 -4.273 -16.391 0.205 1.00 0.00 H new ATOM 0 H71 DT B 11 -9.413 -15.084 -0.793 1.00 0.00 H new ATOM 0 H72 DT B 11 -8.391 -13.628 -0.757 1.00 0.00 H new ATOM 0 H73 DT B 11 -8.122 -14.874 -1.999 1.00 0.00 H new ATOM 0 H6 DT B 11 -8.911 -15.757 1.424 1.00 0.00 H new ATOM 385 P DG B 12 -7.828 -16.342 7.577 1.00 0.00 P ATOM 386 OP1 DG B 12 -7.784 -17.217 8.766 1.00 0.00 O ATOM 387 OP2 DG B 12 -8.693 -15.141 7.645 1.00 0.00 O ATOM 388 O5' DG B 12 -6.359 -15.841 7.178 1.00 0.00 O ATOM 389 C5' DG B 12 -5.249 -16.752 7.227 1.00 0.00 C ATOM 390 C4' DG B 12 -3.916 -16.169 6.769 1.00 0.00 C ATOM 391 O4' DG B 12 -3.895 -15.959 5.367 1.00 0.00 O ATOM 392 C3' DG B 12 -3.523 -14.840 7.482 1.00 0.00 C ATOM 393 O3' DG B 12 -2.213 -14.983 8.039 1.00 0.00 O ATOM 394 C2' DG B 12 -3.585 -13.852 6.312 1.00 0.00 C ATOM 395 C1' DG B 12 -3.154 -14.746 5.148 1.00 0.00 C ATOM 396 N9 DG B 12 -3.400 -14.170 3.794 1.00 0.00 N ATOM 397 C8 DG B 12 -4.563 -13.692 3.245 1.00 0.00 C ATOM 398 N7 DG B 12 -4.451 -13.289 2.004 1.00 0.00 N ATOM 399 C5 DG B 12 -3.092 -13.501 1.694 1.00 0.00 C ATOM 400 C6 DG B 12 -2.317 -13.295 0.502 1.00 0.00 C ATOM 401 O6 DG B 12 -2.657 -12.861 -0.586 1.00 0.00 O ATOM 402 N1 DG B 12 -0.982 -13.633 0.623 1.00 0.00 N ATOM 403 C2 DG B 12 -0.447 -14.126 1.754 1.00 0.00 C ATOM 404 N2 DG B 12 0.830 -14.372 1.774 1.00 0.00 N ATOM 405 N3 DG B 12 -1.133 -14.359 2.859 1.00 0.00 N ATOM 406 C4 DG B 12 -2.452 -14.032 2.793 1.00 0.00 C ATOM 0 H5' DG B 12 -5.482 -17.618 6.608 1.00 0.00 H new ATOM 0 H5'' DG B 12 -5.139 -17.112 8.250 1.00 0.00 H new ATOM 0 H4' DG B 12 -3.178 -16.921 7.050 1.00 0.00 H new ATOM 0 H3' DG B 12 -4.150 -14.530 8.318 1.00 0.00 H new ATOM 0 H2' DG B 12 -4.586 -13.444 6.170 1.00 0.00 H new ATOM 0 H2'' DG B 12 -2.913 -13.005 6.452 1.00 0.00 H new ATOM 0 H1' DG B 12 -2.073 -14.889 5.142 1.00 0.00 H new ATOM 0 H8 DG B 12 -5.494 -13.651 3.791 1.00 0.00 H new ATOM 0 H1 DG B 12 -0.373 -13.502 -0.185 1.00 0.00 H new ATOM 0 H21 DG B 12 1.264 -14.746 2.618 1.00 0.00 H new ATOM 0 H22 DG B 12 1.397 -14.191 0.946 1.00 0.00 H new ATOM 418 P DA B 13 -1.449 -13.772 8.777 1.00 0.00 P ATOM 419 OP1 DA B 13 -0.715 -14.335 9.929 1.00 0.00 O ATOM 420 OP2 DA B 13 -2.416 -12.668 8.999 1.00 0.00 O ATOM 421 O5' DA B 13 -0.375 -13.290 7.661 1.00 0.00 O ATOM 422 C5' DA B 13 0.661 -14.180 7.205 1.00 0.00 C ATOM 423 C4' DA B 13 1.723 -13.549 6.294 1.00 0.00 C ATOM 424 O4' DA B 13 1.179 -13.170 5.021 1.00 0.00 O ATOM 425 C3' DA B 13 2.367 -12.302 6.936 1.00 0.00 C ATOM 426 O3' DA B 13 3.792 -12.408 6.810 1.00 0.00 O ATOM 427 C2' DA B 13 1.725 -11.168 6.123 1.00 0.00 C ATOM 428 C1' DA B 13 1.515 -11.819 4.736 1.00 0.00 C ATOM 429 N9 DA B 13 0.447 -11.179 3.923 1.00 0.00 N ATOM 430 C8 DA B 13 -0.826 -10.822 4.284 1.00 0.00 C ATOM 431 N7 DA B 13 -1.581 -10.400 3.303 1.00 0.00 N ATOM 432 C5 DA B 13 -0.729 -10.470 2.200 1.00 0.00 C ATOM 433 C6 DA B 13 -0.829 -10.197 0.821 1.00 0.00 C ATOM 434 N6 DA B 13 -1.917 -9.772 0.206 1.00 0.00 N ATOM 435 N1 DA B 13 0.194 -10.369 -0.003 1.00 0.00 N ATOM 436 C2 DA B 13 1.337 -10.838 0.481 1.00 0.00 C ATOM 437 N3 DA B 13 1.579 -11.149 1.748 1.00 0.00 N ATOM 438 C4 DA B 13 0.504 -10.945 2.568 1.00 0.00 C ATOM 0 H5' DA B 13 0.195 -15.008 6.671 1.00 0.00 H new ATOM 0 H5'' DA B 13 1.161 -14.604 8.076 1.00 0.00 H new ATOM 0 H4' DA B 13 2.483 -14.317 6.151 1.00 0.00 H new ATOM 0 H3' DA B 13 2.204 -12.154 8.003 1.00 0.00 H new ATOM 0 H2' DA B 13 0.783 -10.838 6.562 1.00 0.00 H new ATOM 0 H2'' DA B 13 2.373 -10.294 6.066 1.00 0.00 H new ATOM 0 H1' DA B 13 2.415 -11.710 4.131 1.00 0.00 H new ATOM 0 H8 DA B 13 -1.179 -10.884 5.303 1.00 0.00 H new ATOM 0 H61 DA B 13 -1.900 -9.599 -0.799 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.775 -9.617 0.736 1.00 0.00 H new ATOM 0 H2 DA B 13 2.145 -10.980 -0.221 1.00 0.00 H new ATOM 450 P DA B 14 4.820 -11.257 7.304 1.00 0.00 P ATOM 451 OP1 DA B 14 6.044 -11.972 7.776 1.00 0.00 O ATOM 452 OP2 DA B 14 4.131 -10.330 8.234 1.00 0.00 O ATOM 453 O5' DA B 14 5.173 -10.478 5.946 1.00 0.00 O ATOM 454 C5' DA B 14 5.905 -11.135 4.922 1.00 0.00 C ATOM 455 C4' DA B 14 6.011 -10.311 3.625 1.00 0.00 C ATOM 456 O4' DA B 14 4.735 -10.105 3.052 1.00 0.00 O ATOM 457 C3' DA B 14 6.654 -8.925 3.837 1.00 0.00 C ATOM 458 O3' DA B 14 7.766 -8.864 2.950 1.00 0.00 O ATOM 459 C2' DA B 14 5.502 -7.969 3.546 1.00 0.00 C ATOM 460 C1' DA B 14 4.659 -8.780 2.560 1.00 0.00 C ATOM 461 N9 DA B 14 3.276 -8.310 2.489 1.00 0.00 N ATOM 462 C8 DA B 14 2.394 -8.110 3.517 1.00 0.00 C ATOM 463 N7 DA B 14 1.235 -7.616 3.158 1.00 0.00 N ATOM 464 C5 DA B 14 1.387 -7.471 1.767 1.00 0.00 C ATOM 465 C6 DA B 14 0.558 -7.043 0.701 1.00 0.00 C ATOM 466 N6 DA B 14 -0.678 -6.616 0.845 1.00 0.00 N ATOM 467 N1 DA B 14 1.004 -7.013 -0.547 1.00 0.00 N ATOM 468 C2 DA B 14 2.249 -7.425 -0.797 1.00 0.00 C ATOM 469 N3 DA B 14 3.143 -7.848 0.086 1.00 0.00 N ATOM 470 C4 DA B 14 2.633 -7.864 1.356 1.00 0.00 C ATOM 0 H5' DA B 14 5.429 -12.090 4.700 1.00 0.00 H new ATOM 0 H5'' DA B 14 6.908 -11.356 5.287 1.00 0.00 H new ATOM 0 H4' DA B 14 6.649 -10.897 2.964 1.00 0.00 H new ATOM 0 H3' DA B 14 7.059 -8.688 4.821 1.00 0.00 H new ATOM 0 H2' DA B 14 4.944 -7.715 4.448 1.00 0.00 H new ATOM 0 H2'' DA B 14 5.849 -7.032 3.112 1.00 0.00 H new ATOM 0 H1' DA B 14 5.028 -8.688 1.539 1.00 0.00 H new ATOM 0 H8 DA B 14 2.635 -8.342 4.544 1.00 0.00 H new ATOM 0 H61 DA B 14 -1.215 -6.323 0.029 1.00 0.00 H new ATOM 0 H62 DA B 14 -1.099 -6.578 1.773 1.00 0.00 H new ATOM 0 H2 DA B 14 2.562 -7.412 -1.831 1.00 0.00 H new ATOM 482 P DG B 15 8.683 -7.571 2.770 1.00 0.00 P ATOM 483 OP1 DG B 15 10.057 -8.007 2.427 1.00 0.00 O ATOM 484 OP2 DG B 15 8.484 -6.696 3.954 1.00 0.00 O ATOM 485 O5' DG B 15 8.047 -6.833 1.491 1.00 0.00 O ATOM 486 C5' DG B 15 8.134 -7.397 0.185 1.00 0.00 C ATOM 487 C4' DG B 15 7.541 -6.495 -0.894 1.00 0.00 C ATOM 488 O4' DG B 15 6.155 -6.339 -0.730 1.00 0.00 O ATOM 489 C3' DG B 15 8.184 -5.094 -0.955 1.00 0.00 C ATOM 490 O3' DG B 15 8.579 -4.813 -2.308 1.00 0.00 O ATOM 491 C2' DG B 15 7.045 -4.187 -0.462 1.00 0.00 C ATOM 492 C1' DG B 15 5.818 -4.979 -0.895 1.00 0.00 C ATOM 493 N9 DG B 15 4.618 -4.624 -0.113 1.00 0.00 N ATOM 494 C8 DG B 15 4.415 -4.697 1.246 1.00 0.00 C ATOM 495 N7 DG B 15 3.213 -4.348 1.629 1.00 0.00 N ATOM 496 C5 DG B 15 2.561 -4.051 0.419 1.00 0.00 C ATOM 497 C6 DG B 15 1.211 -3.635 0.145 1.00 0.00 C ATOM 498 O6 DG B 15 0.280 -3.455 0.958 1.00 0.00 O ATOM 499 N1 DG B 15 0.939 -3.457 -1.195 1.00 0.00 N ATOM 500 C2 DG B 15 1.872 -3.629 -2.170 1.00 0.00 C ATOM 501 N2 DG B 15 1.521 -3.305 -3.383 1.00 0.00 N ATOM 502 N3 DG B 15 3.126 -4.029 -1.963 1.00 0.00 N ATOM 503 C4 DG B 15 3.408 -4.244 -0.643 1.00 0.00 C ATOM 0 H5' DG B 15 7.616 -8.356 0.174 1.00 0.00 H new ATOM 0 H5'' DG B 15 9.180 -7.596 -0.050 1.00 0.00 H new ATOM 0 H4' DG B 15 7.758 -7.007 -1.831 1.00 0.00 H new ATOM 0 H3' DG B 15 9.088 -4.968 -0.360 1.00 0.00 H new ATOM 0 H2' DG B 15 7.077 -4.038 0.617 1.00 0.00 H new ATOM 0 H2'' DG B 15 7.079 -3.199 -0.922 1.00 0.00 H new ATOM 0 H1' DG B 15 5.561 -4.753 -1.930 1.00 0.00 H new ATOM 0 H8 DG B 15 5.182 -5.015 1.937 1.00 0.00 H new ATOM 0 H1 DG B 15 -0.005 -3.184 -1.468 1.00 0.00 H new ATOM 0 H21 DG B 15 2.182 -3.414 -4.152 1.00 0.00 H new ATOM 0 H22 DG B 15 0.585 -2.942 -3.563 1.00 0.00 H new ATOM 515 P DC B 16 9.386 -3.465 -2.701 1.00 0.00 P ATOM 516 OP1 DC B 16 10.179 -3.786 -3.913 1.00 0.00 O ATOM 517 OP2 DC B 16 10.094 -2.950 -1.501 1.00 0.00 O ATOM 518 O5' DC B 16 8.213 -2.449 -3.117 1.00 0.00 O ATOM 519 C5' DC B 16 7.407 -2.692 -4.256 1.00 0.00 C ATOM 520 C4' DC B 16 6.227 -1.702 -4.373 1.00 0.00 C ATOM 521 O4' DC B 16 5.322 -1.849 -3.297 1.00 0.00 O ATOM 522 C3' DC B 16 6.653 -0.201 -4.392 1.00 0.00 C ATOM 523 O3' DC B 16 6.181 0.456 -5.563 1.00 0.00 O ATOM 524 C2' DC B 16 5.960 0.373 -3.139 1.00 0.00 C ATOM 525 C1' DC B 16 4.791 -0.578 -2.982 1.00 0.00 C ATOM 526 N1 DC B 16 4.205 -0.580 -1.612 1.00 0.00 N ATOM 527 C2 DC B 16 2.862 -0.228 -1.430 1.00 0.00 C ATOM 528 O2 DC B 16 2.142 0.121 -2.365 1.00 0.00 O ATOM 529 N3 DC B 16 2.292 -0.278 -0.198 1.00 0.00 N ATOM 530 C4 DC B 16 3.037 -0.655 0.807 1.00 0.00 C ATOM 531 N4 DC B 16 2.433 -0.676 1.973 1.00 0.00 N ATOM 532 C5 DC B 16 4.417 -0.983 0.704 1.00 0.00 C ATOM 533 C6 DC B 16 4.963 -0.949 -0.532 1.00 0.00 C ATOM 0 H5' DC B 16 7.019 -3.710 -4.211 1.00 0.00 H new ATOM 0 H5'' DC B 16 8.023 -2.625 -5.153 1.00 0.00 H new ATOM 0 H4' DC B 16 5.767 -1.954 -5.329 1.00 0.00 H new ATOM 0 H3' DC B 16 7.735 -0.069 -4.394 1.00 0.00 H new ATOM 0 H2' DC B 16 6.615 0.366 -2.268 1.00 0.00 H new ATOM 0 H2'' DC B 16 5.635 1.403 -3.285 1.00 0.00 H new ATOM 0 H1' DC B 16 3.967 -0.279 -3.630 1.00 0.00 H new ATOM 0 H41 DC B 16 2.946 -0.959 2.808 1.00 0.00 H new ATOM 0 H42 DC B 16 1.451 -0.409 2.044 1.00 0.00 H new ATOM 0 H5 DC B 16 5.002 -1.247 1.573 1.00 0.00 H new ATOM 0 H6 DC B 16 6.001 -1.214 -0.669 1.00 0.00 H new ATOM 545 P DT B 17 6.979 1.682 -6.244 1.00 0.00 P ATOM 546 OP1 DT B 17 6.221 2.051 -7.472 1.00 0.00 O ATOM 547 OP2 DT B 17 8.418 1.312 -6.368 1.00 0.00 O ATOM 548 O5' DT B 17 6.854 2.889 -5.155 1.00 0.00 O ATOM 549 C5' DT B 17 6.942 4.255 -5.503 1.00 0.00 C ATOM 550 C4' DT B 17 5.586 4.828 -5.981 1.00 0.00 C ATOM 551 O4' DT B 17 4.680 4.925 -4.877 1.00 0.00 O ATOM 552 C3' DT B 17 5.735 6.228 -6.567 1.00 0.00 C ATOM 553 O3' DT B 17 4.730 6.484 -7.538 1.00 0.00 O ATOM 554 C2' DT B 17 5.600 7.079 -5.295 1.00 0.00 C ATOM 555 C1' DT B 17 4.503 6.291 -4.552 1.00 0.00 C ATOM 556 N1 DT B 17 4.471 6.464 -3.087 1.00 0.00 N ATOM 557 C2 DT B 17 3.250 6.828 -2.499 1.00 0.00 C ATOM 558 O2 DT B 17 2.195 6.994 -3.122 1.00 0.00 O ATOM 559 N3 DT B 17 3.239 6.995 -1.131 1.00 0.00 N ATOM 560 C4 DT B 17 4.307 6.847 -0.290 1.00 0.00 C ATOM 561 O4 DT B 17 4.117 6.987 0.903 1.00 0.00 O ATOM 562 C5 DT B 17 5.550 6.464 -0.963 1.00 0.00 C ATOM 563 C7 DT B 17 6.817 6.227 -0.150 1.00 0.00 C ATOM 564 C6 DT B 17 5.603 6.264 -2.313 1.00 0.00 C ATOM 0 H5' DT B 17 7.685 4.380 -6.291 1.00 0.00 H new ATOM 0 H5'' DT B 17 7.292 4.825 -4.642 1.00 0.00 H new ATOM 0 H4' DT B 17 5.211 4.150 -6.747 1.00 0.00 H new ATOM 0 H3' DT B 17 6.659 6.418 -7.114 1.00 0.00 H new ATOM 0 H2' DT B 17 6.530 7.131 -4.729 1.00 0.00 H new ATOM 0 H2'' DT B 17 5.301 8.105 -5.511 1.00 0.00 H new ATOM 0 H1' DT B 17 3.543 6.688 -4.883 1.00 0.00 H new ATOM 0 H3 DT B 17 2.349 7.254 -0.705 1.00 0.00 H new ATOM 0 H71 DT B 17 7.439 5.486 -0.653 1.00 0.00 H new ATOM 0 H72 DT B 17 7.370 7.162 -0.057 1.00 0.00 H new ATOM 0 H73 DT B 17 6.550 5.864 0.842 1.00 0.00 H new ATOM 0 H6 DT B 17 6.526 5.950 -2.777 1.00 0.00 H new ATOM 577 P DT B 18 4.686 7.838 -8.425 1.00 0.00 P ATOM 578 OP1 DT B 18 4.299 7.456 -9.813 1.00 0.00 O ATOM 579 OP2 DT B 18 5.936 8.611 -8.200 1.00 0.00 O ATOM 580 O5' DT B 18 3.464 8.646 -7.739 1.00 0.00 O ATOM 581 C5' DT B 18 2.112 8.203 -7.858 1.00 0.00 C ATOM 582 C4' DT B 18 1.129 9.157 -7.159 1.00 0.00 C ATOM 583 O4' DT B 18 1.272 9.051 -5.736 1.00 0.00 O ATOM 584 C3' DT B 18 1.372 10.646 -7.561 1.00 0.00 C ATOM 585 O3' DT B 18 0.153 11.356 -7.692 1.00 0.00 O ATOM 586 C2' DT B 18 2.030 11.207 -6.302 1.00 0.00 C ATOM 587 C1' DT B 18 1.291 10.378 -5.235 1.00 0.00 C ATOM 588 N1 DT B 18 1.917 10.437 -3.884 1.00 0.00 N ATOM 589 C2 DT B 18 1.113 10.858 -2.803 1.00 0.00 C ATOM 590 O2 DT B 18 -0.077 11.102 -2.903 1.00 0.00 O ATOM 591 N3 DT B 18 1.749 11.061 -1.606 1.00 0.00 N ATOM 592 C4 DT B 18 3.069 10.768 -1.337 1.00 0.00 C ATOM 593 O4 DT B 18 3.508 10.959 -0.207 1.00 0.00 O ATOM 594 C5 DT B 18 3.845 10.291 -2.499 1.00 0.00 C ATOM 595 C7 DT B 18 5.297 9.931 -2.320 1.00 0.00 C ATOM 596 C6 DT B 18 3.247 10.155 -3.705 1.00 0.00 C ATOM 0 H5' DT B 18 2.018 7.206 -7.427 1.00 0.00 H new ATOM 0 H5'' DT B 18 1.849 8.121 -8.913 1.00 0.00 H new ATOM 0 H4' DT B 18 0.127 8.866 -7.473 1.00 0.00 H new ATOM 0 H3' DT B 18 1.925 10.727 -8.497 1.00 0.00 H new ATOM 0 H2' DT B 18 3.108 11.045 -6.285 1.00 0.00 H new ATOM 0 H2'' DT B 18 1.867 12.279 -6.187 1.00 0.00 H new ATOM 0 H1' DT B 18 0.291 10.781 -5.078 1.00 0.00 H new ATOM 0 H3 DT B 18 1.198 11.464 -0.848 1.00 0.00 H new ATOM 0 H71 DT B 18 5.568 9.150 -3.030 1.00 0.00 H new ATOM 0 H72 DT B 18 5.915 10.812 -2.496 1.00 0.00 H new ATOM 0 H73 DT B 18 5.460 9.570 -1.304 1.00 0.00 H new ATOM 0 H6 DT B 18 3.832 9.816 -4.547 1.00 0.00 H new ATOM 609 P DA B 19 -0.700 11.417 -9.055 1.00 0.00 P ATOM 610 OP1 DA B 19 -0.951 10.051 -9.552 1.00 0.00 O ATOM 611 OP2 DA B 19 -0.062 12.415 -9.939 1.00 0.00 O ATOM 612 O5' DA B 19 -2.103 12.033 -8.511 1.00 0.00 O ATOM 613 C5' DA B 19 -3.062 11.205 -7.863 1.00 0.00 C ATOM 614 C4' DA B 19 -3.936 11.947 -6.832 1.00 0.00 C ATOM 615 O4' DA B 19 -3.171 12.225 -5.655 1.00 0.00 O ATOM 616 C3' DA B 19 -4.502 13.287 -7.348 1.00 0.00 C ATOM 617 O3' DA B 19 -5.803 13.437 -6.790 1.00 0.00 O ATOM 618 C2' DA B 19 -3.477 14.287 -6.815 1.00 0.00 C ATOM 619 C1' DA B 19 -3.077 13.630 -5.479 1.00 0.00 C ATOM 620 N9 DA B 19 -1.699 13.948 -5.039 1.00 0.00 N ATOM 621 C8 DA B 19 -0.556 14.083 -5.807 1.00 0.00 C ATOM 622 N7 DA B 19 0.538 14.271 -5.122 1.00 0.00 N ATOM 623 C5 DA B 19 0.082 14.239 -3.794 1.00 0.00 C ATOM 624 C6 DA B 19 0.699 14.314 -2.526 1.00 0.00 C ATOM 625 N6 DA B 19 1.989 14.456 -2.327 1.00 0.00 N ATOM 626 N1 DA B 19 -0.015 14.280 -1.403 1.00 0.00 N ATOM 627 C2 DA B 19 -1.324 14.125 -1.506 1.00 0.00 C ATOM 628 N3 DA B 19 -2.061 14.004 -2.601 1.00 0.00 N ATOM 629 C4 DA B 19 -1.278 14.072 -3.731 1.00 0.00 C ATOM 0 H5' DA B 19 -2.542 10.388 -7.363 1.00 0.00 H new ATOM 0 H5'' DA B 19 -3.709 10.757 -8.617 1.00 0.00 H new ATOM 0 H4' DA B 19 -4.775 11.283 -6.626 1.00 0.00 H new ATOM 0 H3' DA B 19 -4.626 13.396 -8.425 1.00 0.00 H new ATOM 0 H2' DA B 19 -2.627 14.401 -7.487 1.00 0.00 H new ATOM 0 H2'' DA B 19 -3.906 15.279 -6.673 1.00 0.00 H new ATOM 0 H1' DA B 19 -3.747 14.017 -4.711 1.00 0.00 H new ATOM 0 H8 DA B 19 -0.569 14.036 -6.886 1.00 0.00 H new ATOM 0 H61 DA B 19 2.356 14.502 -1.377 1.00 0.00 H new ATOM 0 H62 DA B 19 2.624 14.520 -3.123 1.00 0.00 H new ATOM 0 H2 DA B 19 -1.866 14.093 -0.572 1.00 0.00 H new ATOM 641 P DG B 20 -6.730 14.740 -7.007 1.00 0.00 P ATOM 642 OP1 DG B 20 -8.148 14.303 -6.920 1.00 0.00 O ATOM 643 OP2 DG B 20 -6.275 15.472 -8.220 1.00 0.00 O ATOM 644 O5' DG B 20 -6.446 15.636 -5.694 1.00 0.00 O ATOM 645 C5' DG B 20 -6.867 15.220 -4.411 1.00 0.00 C ATOM 646 C4' DG B 20 -6.349 16.135 -3.298 1.00 0.00 C ATOM 647 O4' DG B 20 -4.948 16.025 -3.162 1.00 0.00 O ATOM 648 C3' DG B 20 -6.692 17.623 -3.493 1.00 0.00 C ATOM 649 O3' DG B 20 -7.400 18.186 -2.390 1.00 0.00 O ATOM 650 C2' DG B 20 -5.307 18.260 -3.606 1.00 0.00 C ATOM 651 C1' DG B 20 -4.477 17.293 -2.774 1.00 0.00 C ATOM 652 N9 DG B 20 -3.013 17.382 -3.023 1.00 0.00 N ATOM 653 C8 DG B 20 -2.339 17.407 -4.224 1.00 0.00 C ATOM 654 N7 DG B 20 -1.041 17.460 -4.087 1.00 0.00 N ATOM 655 C5 DG B 20 -0.842 17.546 -2.699 1.00 0.00 C ATOM 656 C6 DG B 20 0.365 17.648 -1.906 1.00 0.00 C ATOM 657 O6 DG B 20 1.538 17.714 -2.277 1.00 0.00 O ATOM 658 N1 DG B 20 0.132 17.711 -0.540 1.00 0.00 N ATOM 659 C2 DG B 20 -1.100 17.674 0.012 1.00 0.00 C ATOM 660 N2 DG B 20 -1.216 17.814 1.302 1.00 0.00 N ATOM 661 N3 DG B 20 -2.239 17.565 -0.672 1.00 0.00 N ATOM 662 C4 DG B 20 -2.050 17.497 -2.036 1.00 0.00 C ATOM 0 H5' DG B 20 -6.521 14.202 -4.231 1.00 0.00 H new ATOM 0 H5'' DG B 20 -7.956 15.196 -4.380 1.00 0.00 H new ATOM 0 H4' DG B 20 -6.861 15.790 -2.400 1.00 0.00 H new ATOM 0 H3' DG B 20 -7.347 17.784 -4.349 1.00 0.00 H new ATOM 0 H2' DG B 20 -4.962 18.318 -4.638 1.00 0.00 H new ATOM 0 H2'' DG B 20 -5.285 19.274 -3.205 1.00 0.00 H new ATOM 0 HO3' DG B 20 -7.588 19.131 -2.570 1.00 0.00 H new ATOM 0 H1' DG B 20 -4.589 17.514 -1.712 1.00 0.00 H new ATOM 0 H8 DG B 20 -2.834 17.385 -5.183 1.00 0.00 H new ATOM 0 H1 DG B 20 0.936 17.790 0.082 1.00 0.00 H new ATOM 0 H21 DG B 20 -2.138 17.789 1.737 1.00 0.00 H new ATOM 0 H22 DG B 20 -0.384 17.949 1.877 1.00 0.00 H new TER 675 DG B 20 CONECT 101 130 CONECT 125 126 166 171 CONECT 126 125 127 172 173 CONECT 127 126 128 174 175 CONECT 128 127 129 171 CONECT 129 128 CONECT 130 101 131 132 133 CONECT 131 130 CONECT 132 130 CONECT 133 130 134 CONECT 134 133 135 176 177 CONECT 135 134 136 151 178 CONECT 136 135 137 CONECT 137 136 138 150 179 CONECT 138 137 139 180 CONECT 139 138 140 146 CONECT 140 139 141 CONECT 141 140 142 143 CONECT 142 141 181 182 CONECT 143 141 144 183 CONECT 144 143 145 146 CONECT 145 144 CONECT 146 139 144 147 CONECT 147 146 148 153 CONECT 148 147 149 184 CONECT 149 148 CONECT 150 137 151 185 186 CONECT 151 135 150 152 187 CONECT 152 151 197 CONECT 153 147 154 158 188 CONECT 154 153 155 156 189 CONECT 155 154 190 CONECT 156 154 157 159 191 CONECT 157 156 161 167 CONECT 158 153 159 CONECT 159 156 158 160 192 CONECT 160 159 161 CONECT 161 157 160 162 CONECT 162 161 163 193 CONECT 163 162 164 166 CONECT 164 163 165 CONECT 165 164 194 195 196 CONECT 166 125 163 167 CONECT 167 157 166 168 CONECT 168 167 169 CONECT 169 168 170 171 CONECT 170 169 CONECT 171 125 128 169 CONECT 172 126 CONECT 173 126 CONECT 174 127 CONECT 175 127 CONECT 176 134 CONECT 177 134 CONECT 178 135 CONECT 179 137 CONECT 180 138 CONECT 181 142 CONECT 182 142 CONECT 183 143 CONECT 184 148 CONECT 185 150 CONECT 186 150 CONECT 187 151 CONECT 188 153 CONECT 189 154 CONECT 190 155 CONECT 191 156 CONECT 192 159 CONECT 193 162 CONECT 194 165 CONECT 195 165 CONECT 196 165 CONECT 197 152 END