USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 245 hydrogens (25 hets) HEADER DNA 14-MAR-14 2MMF TITLE SOLUTION STRUCTURE OF AGA MODIFIED COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA_(5'-D(*CP*TP*AP*AP*(FAG)P*AP*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*TP*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 DUPLEX, KEYWDS 2 DNA ADDUCT, SEQUENCE DEPENDENCE, DNA EXPDTA SOLUTION NMR AUTHOR L.LI,M.STONE REVDAT 2 23-DEC-15 2MMF 1 JRNL REVDAT 1 25-FEB-15 2MMF 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 2MMF 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 RCSB103788. 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*AP*TP*TP*CP*A)-3'), 0.5 MM DNA (5'-D(*TP*GP*AP*AP*TP*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 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 LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 DA A 3 C5' DA A 3 C4' 0.045 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 DC A 1 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DC A 1 N1 - C2 - O2 ANGL. DEV. = 4.0 DEGREES REMARK 500 DC A 1 N3 - C2 - O2 ANGL. DEV. = -5.4 DEGREES REMARK 500 DT A 2 N3 - C2 - O2 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT A 2 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA A 3 C4 - C5 - C6 ANGL. DEV. = -3.4 DEGREES REMARK 500 DA A 4 C5 - C6 - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DA A 4 N1 - C6 - N6 ANGL. DEV. = -4.9 DEGREES REMARK 500 DA A 6 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA A 6 C4 - C5 - C6 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA A 6 C5 - C6 - N1 ANGL. DEV. = 4.1 DEGREES REMARK 500 DA A 6 N1 - C6 - N6 ANGL. DEV. = -4.3 DEGREES REMARK 500 DT A 7 C4 - C5 - C6 ANGL. DEV. = 3.8 DEGREES REMARK 500 DT A 7 N3 - C2 - O2 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT A 7 C6 - C5 - C7 ANGL. DEV. = -4.4 DEGREES REMARK 500 DC A 9 O4' - C4' - C3' ANGL. DEV. = 3.8 DEGREES REMARK 500 DC A 9 N1 - C2 - O2 ANGL. DEV. = 4.5 DEGREES REMARK 500 DC A 9 N3 - C2 - O2 ANGL. DEV. = -5.9 DEGREES REMARK 500 DA A 10 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA A 10 C4 - C5 - C6 ANGL. DEV. = -3.1 DEGREES REMARK 500 DA A 10 C5 - C6 - N1 ANGL. DEV. = 4.1 DEGREES REMARK 500 DA A 10 N1 - C6 - N6 ANGL. DEV. = -6.6 DEGREES REMARK 500 DT B 11 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DG B 12 O4' - C1' - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 DG B 12 N1 - C6 - O6 ANGL. DEV. = -4.1 DEGREES REMARK 500 DA B 13 C4 - C5 - C6 ANGL. DEV. = -3.9 DEGREES REMARK 500 DA B 13 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DA B 13 N1 - C6 - N6 ANGL. DEV. = -5.8 DEGREES REMARK 500 DA B 14 C4 - C5 - C6 ANGL. DEV. = -3.2 DEGREES REMARK 500 DA B 14 N1 - C6 - N6 ANGL. DEV. = -4.4 DEGREES REMARK 500 DT B 15 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES REMARK 500 DT B 17 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES REMARK 500 DT B 17 C4 - C5 - C6 ANGL. DEV. = 3.9 DEGREES REMARK 500 DT B 17 C5 - C6 - N1 ANGL. DEV. = -4.0 DEGREES REMARK 500 DT B 18 O4' - C1' - N1 ANGL. DEV. = 6.8 DEGREES REMARK 500 DA B 19 C5 - C6 - N1 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA B 19 N1 - C6 - N6 ANGL. DEV. = -5.0 DEGREES REMARK 500 DG B 20 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 19853 RELATED DB: BMRB DBREF 2MMF A 1 10 PDB 2MMF 2MMF 1 10 DBREF 2MMF B 11 20 PDB 2MMF 2MMF 11 20 SEQRES 1 A 10 DC DT DA DA FAG DA DT DT DC DA SEQRES 1 B 10 DT DG DA DA DT 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 1.62 LINK P DA A 6 O3' FAG A 5 1555 1555 1.61 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= -0.0547 (180deg=-0.569) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) 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 15 DT C7 :methyl 150:sc= -0.598 (180deg=-0.598) USER MOD Single : B 17 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 18 DT C7 :methyl -30:sc= -0.288 (180deg=-1.23) USER MOD Single : B 20 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 13.986 14.615 -2.199 1.00 0.00 O ATOM 2 C5' DC A 1 14.094 15.732 -1.307 1.00 0.00 C ATOM 3 C4' DC A 1 12.920 15.846 -0.332 1.00 0.00 C ATOM 4 O4' DC A 1 11.723 16.153 -1.057 1.00 0.00 O ATOM 5 C3' DC A 1 12.676 14.560 0.452 1.00 0.00 C ATOM 6 O3' DC A 1 12.435 14.888 1.822 1.00 0.00 O ATOM 7 C2' DC A 1 11.442 13.982 -0.233 1.00 0.00 C ATOM 8 C1' DC A 1 10.713 15.246 -0.686 1.00 0.00 C ATOM 9 N1 DC A 1 9.756 15.017 -1.814 1.00 0.00 N ATOM 10 C2 DC A 1 8.426 15.440 -1.681 1.00 0.00 C ATOM 11 O2 DC A 1 7.970 15.881 -0.635 1.00 0.00 O ATOM 12 N3 DC A 1 7.557 15.335 -2.729 1.00 0.00 N ATOM 13 C4 DC A 1 8.003 14.802 -3.861 1.00 0.00 C ATOM 14 N4 DC A 1 7.144 14.769 -4.838 1.00 0.00 N ATOM 15 C5 DC A 1 9.332 14.331 -4.053 1.00 0.00 C ATOM 16 C6 DC A 1 10.195 14.495 -3.006 1.00 0.00 C ATOM 0 H5' DC A 1 14.162 16.649 -1.892 1.00 0.00 H new ATOM 0 H5'' DC A 1 15.021 15.646 -0.740 1.00 0.00 H new ATOM 0 H4' DC A 1 13.176 16.635 0.375 1.00 0.00 H new ATOM 0 H3' DC A 1 13.507 13.855 0.456 1.00 0.00 H new ATOM 0 H2' DC A 1 11.705 13.339 -1.073 1.00 0.00 H new ATOM 0 H2'' DC A 1 10.838 13.384 0.450 1.00 0.00 H new ATOM 0 HO5' DC A 1 14.763 14.597 -2.796 1.00 0.00 H new ATOM 0 H1' DC A 1 10.089 15.623 0.124 1.00 0.00 H new ATOM 0 H41 DC A 1 7.412 14.374 -5.740 1.00 0.00 H new ATOM 0 H42 DC A 1 6.203 15.138 -4.702 1.00 0.00 H new ATOM 0 H5 DC A 1 9.643 13.868 -4.978 1.00 0.00 H new ATOM 0 H6 DC A 1 11.231 14.212 -3.117 1.00 0.00 H new ATOM 29 P DT A 2 12.200 13.759 2.965 1.00 0.00 P ATOM 30 OP1 DT A 2 12.647 14.342 4.244 1.00 0.00 O ATOM 31 OP2 DT A 2 12.757 12.465 2.505 1.00 0.00 O ATOM 32 O5' DT A 2 10.598 13.637 3.017 1.00 0.00 O ATOM 33 C5' DT A 2 9.813 14.760 3.414 1.00 0.00 C ATOM 34 C4' DT A 2 8.307 14.476 3.540 1.00 0.00 C ATOM 35 O4' DT A 2 7.722 14.370 2.255 1.00 0.00 O ATOM 36 C3' DT A 2 7.948 13.198 4.332 1.00 0.00 C ATOM 37 O3' DT A 2 6.849 13.552 5.158 1.00 0.00 O ATOM 38 C2' DT A 2 7.579 12.222 3.218 1.00 0.00 C ATOM 39 C1' DT A 2 6.912 13.197 2.241 1.00 0.00 C ATOM 40 N1 DT A 2 6.787 12.718 0.835 1.00 0.00 N ATOM 41 C2 DT A 2 5.576 12.960 0.192 1.00 0.00 C ATOM 42 O2 DT A 2 4.569 13.435 0.731 1.00 0.00 O ATOM 43 N3 DT A 2 5.534 12.682 -1.150 1.00 0.00 N ATOM 44 C4 DT A 2 6.557 12.140 -1.899 1.00 0.00 C ATOM 45 O4 DT A 2 6.361 11.916 -3.095 1.00 0.00 O ATOM 46 C5 DT A 2 7.771 11.853 -1.151 1.00 0.00 C ATOM 47 C7 DT A 2 9.001 11.302 -1.862 1.00 0.00 C ATOM 48 C6 DT A 2 7.848 12.150 0.174 1.00 0.00 C ATOM 0 H5' DT A 2 9.959 15.562 2.691 1.00 0.00 H new ATOM 0 H5'' DT A 2 10.182 15.124 4.373 1.00 0.00 H new ATOM 0 H4' DT A 2 7.913 15.322 4.103 1.00 0.00 H new ATOM 0 H3' DT A 2 8.715 12.771 4.978 1.00 0.00 H new ATOM 0 H2' DT A 2 8.450 11.728 2.788 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.902 11.437 3.555 1.00 0.00 H new ATOM 0 H1' DT A 2 5.884 13.347 2.572 1.00 0.00 H new ATOM 0 H3 DT A 2 4.665 12.896 -1.640 1.00 0.00 H new ATOM 0 H71 DT A 2 9.900 11.634 -1.343 1.00 0.00 H new ATOM 0 H72 DT A 2 8.964 10.213 -1.862 1.00 0.00 H new ATOM 0 H73 DT A 2 9.020 11.665 -2.890 1.00 0.00 H new ATOM 0 H6 DT A 2 8.758 11.936 0.715 1.00 0.00 H new ATOM 61 P DA A 3 6.278 12.643 6.357 1.00 0.00 P ATOM 62 OP1 DA A 3 6.293 13.484 7.575 1.00 0.00 O ATOM 63 OP2 DA A 3 6.994 11.339 6.380 1.00 0.00 O ATOM 64 O5' DA A 3 4.759 12.353 5.915 1.00 0.00 O ATOM 65 C5' DA A 3 3.810 13.395 5.842 1.00 0.00 C ATOM 66 C4' DA A 3 2.426 12.968 5.270 1.00 0.00 C ATOM 67 O4' DA A 3 2.594 12.539 3.918 1.00 0.00 O ATOM 68 C3' DA A 3 1.756 11.821 6.050 1.00 0.00 C ATOM 69 O3' DA A 3 0.336 12.011 6.030 1.00 0.00 O ATOM 70 C2' DA A 3 2.197 10.594 5.246 1.00 0.00 C ATOM 71 C1' DA A 3 2.243 11.176 3.822 1.00 0.00 C ATOM 72 N9 DA A 3 3.188 10.489 2.916 1.00 0.00 N ATOM 73 C8 DA A 3 4.429 9.954 3.199 1.00 0.00 C ATOM 74 N7 DA A 3 5.117 9.549 2.158 1.00 0.00 N ATOM 75 C5 DA A 3 4.244 9.858 1.103 1.00 0.00 C ATOM 76 C6 DA A 3 4.298 9.720 -0.305 1.00 0.00 C ATOM 77 N6 DA A 3 5.332 9.241 -0.964 1.00 0.00 N ATOM 78 N1 DA A 3 3.271 10.127 -1.065 1.00 0.00 N ATOM 79 C2 DA A 3 2.213 10.678 -0.472 1.00 0.00 C ATOM 80 N3 DA A 3 2.010 10.849 0.824 1.00 0.00 N ATOM 81 C4 DA A 3 3.080 10.412 1.554 1.00 0.00 C ATOM 0 H5' DA A 3 4.214 14.195 5.222 1.00 0.00 H new ATOM 0 H5'' DA A 3 3.665 13.808 6.840 1.00 0.00 H new ATOM 0 H4' DA A 3 1.779 13.841 5.353 1.00 0.00 H new ATOM 0 H3' DA A 3 2.026 11.744 7.103 1.00 0.00 H new ATOM 0 H2' DA A 3 3.167 10.217 5.569 1.00 0.00 H new ATOM 0 H2'' DA A 3 1.490 9.769 5.332 1.00 0.00 H new ATOM 0 H1' DA A 3 1.255 11.034 3.384 1.00 0.00 H new ATOM 0 H8 DA A 3 4.807 9.874 4.208 1.00 0.00 H new ATOM 0 H61 DA A 3 5.300 9.170 -1.981 1.00 0.00 H new ATOM 0 H62 DA A 3 6.165 8.941 -0.458 1.00 0.00 H new ATOM 0 H2 DA A 3 1.428 11.026 -1.127 1.00 0.00 H new ATOM 93 P DA A 4 -0.677 11.017 6.806 1.00 0.00 P ATOM 94 OP1 DA A 4 -1.868 11.800 7.248 1.00 0.00 O ATOM 95 OP2 DA A 4 0.088 10.280 7.841 1.00 0.00 O ATOM 96 O5' DA A 4 -1.139 9.988 5.653 1.00 0.00 O ATOM 97 C5' DA A 4 -2.060 10.373 4.634 1.00 0.00 C ATOM 98 C4' DA A 4 -2.599 9.209 3.780 1.00 0.00 C ATOM 99 O4' DA A 4 -1.609 8.777 2.859 1.00 0.00 O ATOM 100 C3' DA A 4 -3.055 7.989 4.582 1.00 0.00 C ATOM 101 O3' DA A 4 -4.123 7.260 3.984 1.00 0.00 O ATOM 102 C2' DA A 4 -1.809 7.124 4.535 1.00 0.00 C ATOM 103 C1' DA A 4 -1.276 7.418 3.127 1.00 0.00 C ATOM 104 N9 DA A 4 0.179 7.243 2.928 1.00 0.00 N ATOM 105 C8 DA A 4 1.195 7.187 3.840 1.00 0.00 C ATOM 106 N7 DA A 4 2.379 6.932 3.333 1.00 0.00 N ATOM 107 C5 DA A 4 2.110 6.862 1.953 1.00 0.00 C ATOM 108 C6 DA A 4 2.895 6.613 0.801 1.00 0.00 C ATOM 109 N6 DA A 4 4.204 6.374 0.796 1.00 0.00 N ATOM 110 N1 DA A 4 2.339 6.566 -0.406 1.00 0.00 N ATOM 111 C2 DA A 4 1.028 6.777 -0.494 1.00 0.00 C ATOM 112 N3 DA A 4 0.174 7.032 0.488 1.00 0.00 N ATOM 113 C4 DA A 4 0.785 7.062 1.711 1.00 0.00 C ATOM 0 H5' DA A 4 -1.573 11.093 3.976 1.00 0.00 H new ATOM 0 H5'' DA A 4 -2.902 10.885 5.099 1.00 0.00 H new ATOM 0 H4' DA A 4 -3.476 9.615 3.277 1.00 0.00 H new ATOM 0 H3' DA A 4 -3.428 8.276 5.565 1.00 0.00 H new ATOM 0 H2' DA A 4 -1.092 7.398 5.309 1.00 0.00 H new ATOM 0 H2'' DA A 4 -2.039 6.068 4.673 1.00 0.00 H new ATOM 0 H1' DA A 4 -1.731 6.691 2.455 1.00 0.00 H new ATOM 0 H8 DA A 4 1.036 7.341 4.897 1.00 0.00 H new ATOM 0 H61 DA A 4 4.688 6.205 -0.086 1.00 0.00 H new ATOM 0 H62 DA A 4 4.723 6.360 1.674 1.00 0.00 H new ATOM 0 H2 DA A 4 0.608 6.735 -1.488 1.00 0.00 H new HETATM 125 C3A FAG A 5 1.797 2.993 -1.510 1.00 0.00 C HETATM 126 C3 FAG A 5 1.668 2.973 -2.954 1.00 0.00 C HETATM 127 C2A FAG A 5 2.932 2.514 -3.619 1.00 0.00 C HETATM 128 C1 FAG A 5 3.873 2.315 -2.465 1.00 0.00 C HETATM 129 O1 FAG A 5 5.030 1.950 -2.610 1.00 0.00 O HETATM 130 P FAG A 5 -5.665 7.694 4.186 1.00 0.00 P HETATM 131 O1P FAG A 5 -5.978 8.740 3.183 1.00 0.00 O HETATM 132 O2P FAG A 5 -5.888 7.961 5.619 1.00 0.00 O HETATM 133 O5' FAG A 5 -6.408 6.333 3.763 1.00 0.00 O HETATM 134 C5' FAG A 5 -6.499 5.223 4.651 1.00 0.00 C HETATM 135 C4' FAG A 5 -6.612 3.888 3.883 1.00 0.00 C HETATM 136 O4' FAG A 5 -5.414 3.633 3.145 1.00 0.00 O HETATM 137 C1' FAG A 5 -4.909 2.360 3.471 1.00 0.00 C HETATM 138 N9 FAG A 5 -3.531 1.867 3.373 1.00 0.00 N HETATM 139 C4 FAG A 5 -2.790 1.357 2.391 1.00 0.00 C HETATM 140 N3 FAG A 5 -3.358 1.481 1.193 1.00 0.00 N HETATM 141 C2 FAG A 5 -2.606 1.084 0.183 1.00 0.00 C HETATM 142 N2 FAG A 5 -3.118 1.095 -1.015 1.00 0.00 N HETATM 143 N1 FAG A 5 -1.384 0.573 0.315 1.00 0.00 N HETATM 144 C6 FAG A 5 -0.789 0.402 1.513 1.00 0.00 C HETATM 145 O6 FAG A 5 0.343 -0.091 1.536 1.00 0.00 O HETATM 146 C5 FAG A 5 -1.566 0.829 2.651 1.00 0.00 C HETATM 147 N7 FAG A 5 -0.980 0.684 3.871 1.00 0.00 N HETATM 148 C8 FAG A 5 -1.431 -0.518 4.423 1.00 0.00 C HETATM 149 O8 FAG A 5 -1.228 -1.625 3.900 1.00 0.00 O HETATM 150 C2' FAG A 5 -5.392 2.105 4.887 1.00 0.00 C HETATM 151 C3' FAG A 5 -6.786 2.743 4.880 1.00 0.00 C HETATM 152 O3' FAG A 5 -7.677 1.676 4.544 1.00 0.00 O HETATM 153 C8A FAG A 5 -0.326 1.721 4.682 1.00 0.00 C HETATM 154 C9 FAG A 5 1.096 2.002 4.155 1.00 0.00 C HETATM 155 O9 FAG A 5 2.044 2.072 5.194 1.00 0.00 O HETATM 156 C9A FAG A 5 1.049 3.373 3.468 1.00 0.00 C HETATM 157 C9B FAG A 5 0.849 3.449 2.017 1.00 0.00 C HETATM 158 O7 FAG A 5 -0.772 3.027 4.996 1.00 0.00 O HETATM 159 C6A FAG A 5 -0.190 3.953 4.112 1.00 0.00 C HETATM 160 O6A FAG A 5 -1.144 3.985 3.069 1.00 0.00 O HETATM 161 C5M FAG A 5 -0.460 3.830 1.920 1.00 0.00 C HETATM 162 C5B FAG A 5 -1.059 3.912 0.670 1.00 0.00 C HETATM 163 C4B FAG A 5 -0.340 3.661 -0.498 1.00 0.00 C HETATM 164 O4 FAG A 5 -0.997 3.712 -1.660 1.00 0.00 O HETATM 165 CM FAG A 5 -1.360 4.880 -2.393 1.00 0.00 C HETATM 166 C4A FAG A 5 1.012 3.295 -0.396 1.00 0.00 C HETATM 167 CAA FAG A 5 1.593 3.197 0.851 1.00 0.00 C HETATM 168 O10 FAG A 5 2.852 2.847 0.987 1.00 0.00 O HETATM 169 C11 FAG A 5 3.654 2.541 -0.003 1.00 0.00 C HETATM 170 O11 FAG A 5 4.810 2.193 0.243 1.00 0.00 O HETATM 171 CBA FAG A 5 3.107 2.620 -1.309 1.00 0.00 C HETATM 0 HN22 FAG A 5 -2.558 0.793 -1.812 1.00 0.00 H new HETATM 0 HN21 FAG A 5 -4.079 1.406 -1.156 1.00 0.00 H new HETATM 0 H5'2 FAG A 5 -5.620 5.199 5.296 1.00 0.00 H new HETATM 0 H5'1 FAG A 5 -7.367 5.345 5.299 1.00 0.00 H new HETATM 0 H2A2 FAG A 5 2.780 1.591 -4.179 1.00 0.00 H new HETATM 0 H2A1 FAG A 5 3.309 3.256 -4.323 1.00 0.00 H new HETATM 0 H2'2 FAG A 5 -5.434 1.040 5.116 1.00 0.00 H new HETATM 0 H2'1 FAG A 5 -4.738 2.565 5.628 1.00 0.00 H new HETATM 0 HO9 FAG A 5 2.931 2.250 4.816 1.00 0.00 H new HETATM 0 HN9 FAG A 5 -3.026 1.929 4.257 1.00 0.00 H new HETATM 0 HM3 FAG A 5 -2.008 5.507 -1.781 1.00 0.00 H new HETATM 0 HM2 FAG A 5 -0.461 5.437 -2.658 1.00 0.00 H new HETATM 0 HM1 FAG A 5 -1.888 4.590 -3.301 1.00 0.00 H new HETATM 0 H9A FAG A 5 2.020 3.854 3.589 1.00 0.00 H new HETATM 0 H9 FAG A 5 1.392 1.195 3.485 1.00 0.00 H new HETATM 0 H8A FAG A 5 -0.547 1.175 5.599 1.00 0.00 H new HETATM 0 H8 FAG A 5 -1.988 -0.481 5.359 1.00 0.00 H new HETATM 0 H6A FAG A 5 0.058 4.893 4.605 1.00 0.00 H new HETATM 0 H5B FAG A 5 -2.114 4.178 0.600 1.00 0.00 H new HETATM 0 H4' FAG A 5 -7.464 3.955 3.206 1.00 0.00 H new HETATM 0 H32 FAG A 5 0.848 2.313 -3.237 1.00 0.00 H new HETATM 0 H31 FAG A 5 1.411 3.971 -3.310 1.00 0.00 H new HETATM 0 H3' FAG A 5 -7.200 3.170 5.793 1.00 0.00 H new HETATM 0 H1' FAG A 5 -5.269 1.811 2.601 1.00 0.00 H new HETATM 0 H1 FAG A 5 -0.876 0.299 -0.526 1.00 0.00 H new ATOM 197 P DA A 6 -9.241 1.926 4.234 1.00 0.00 P ATOM 198 OP1 DA A 6 -9.591 3.331 4.538 1.00 0.00 O ATOM 199 OP2 DA A 6 -10.021 0.821 4.848 1.00 0.00 O ATOM 200 O5' DA A 6 -9.270 1.713 2.639 1.00 0.00 O ATOM 201 C5' DA A 6 -9.264 0.402 2.095 1.00 0.00 C ATOM 202 C4' DA A 6 -8.923 0.448 0.599 1.00 0.00 C ATOM 203 O4' DA A 6 -7.514 0.444 0.426 1.00 0.00 O ATOM 204 C3' DA A 6 -9.473 -0.804 -0.102 1.00 0.00 C ATOM 205 O3' DA A 6 -9.816 -0.503 -1.452 1.00 0.00 O ATOM 206 C2' DA A 6 -8.280 -1.755 -0.049 1.00 0.00 C ATOM 207 C1' DA A 6 -7.104 -0.793 -0.144 1.00 0.00 C ATOM 208 N9 DA A 6 -5.886 -1.312 0.541 1.00 0.00 N ATOM 209 C8 DA A 6 -5.611 -1.338 1.892 1.00 0.00 C ATOM 210 N7 DA A 6 -4.439 -1.792 2.208 1.00 0.00 N ATOM 211 C5 DA A 6 -3.876 -2.090 0.965 1.00 0.00 C ATOM 212 C6 DA A 6 -2.627 -2.583 0.522 1.00 0.00 C ATOM 213 N6 DA A 6 -1.625 -2.866 1.321 1.00 0.00 N ATOM 214 N1 DA A 6 -2.369 -2.783 -0.775 1.00 0.00 N ATOM 215 C2 DA A 6 -3.333 -2.498 -1.643 1.00 0.00 C ATOM 216 N3 DA A 6 -4.538 -1.981 -1.391 1.00 0.00 N ATOM 217 C4 DA A 6 -4.750 -1.821 -0.061 1.00 0.00 C ATOM 0 H5' DA A 6 -10.239 -0.063 2.239 1.00 0.00 H new ATOM 0 H5'' DA A 6 -8.536 -0.215 2.622 1.00 0.00 H new ATOM 0 H4' DA A 6 -9.363 1.351 0.176 1.00 0.00 H new ATOM 0 H3' DA A 6 -10.375 -1.209 0.356 1.00 0.00 H new ATOM 0 H2' DA A 6 -8.260 -2.334 0.875 1.00 0.00 H new ATOM 0 H2'' DA A 6 -8.291 -2.469 -0.872 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.828 -0.668 -1.191 1.00 0.00 H new ATOM 0 H8 DA A 6 -6.321 -1.004 2.634 1.00 0.00 H new ATOM 0 H61 DA A 6 -0.749 -3.219 0.935 1.00 0.00 H new ATOM 0 H62 DA A 6 -1.722 -2.733 2.328 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.116 -2.710 -2.679 1.00 0.00 H new ATOM 229 P DT A 7 -10.855 -1.400 -2.293 1.00 0.00 P ATOM 230 OP1 DT A 7 -11.258 -0.607 -3.476 1.00 0.00 O ATOM 231 OP2 DT A 7 -11.930 -1.894 -1.396 1.00 0.00 O ATOM 232 O5' DT A 7 -9.963 -2.625 -2.847 1.00 0.00 O ATOM 233 C5' DT A 7 -9.045 -2.444 -3.917 1.00 0.00 C ATOM 234 C4' DT A 7 -8.145 -3.640 -4.166 1.00 0.00 C ATOM 235 O4' DT A 7 -7.150 -3.734 -3.159 1.00 0.00 O ATOM 236 C3' DT A 7 -8.873 -4.995 -4.232 1.00 0.00 C ATOM 237 O3' DT A 7 -8.620 -5.539 -5.523 1.00 0.00 O ATOM 238 C2' DT A 7 -8.248 -5.778 -3.068 1.00 0.00 C ATOM 239 C1' DT A 7 -6.875 -5.115 -2.908 1.00 0.00 C ATOM 240 N1 DT A 7 -6.229 -5.255 -1.564 1.00 0.00 N ATOM 241 C2 DT A 7 -4.864 -5.600 -1.538 1.00 0.00 C ATOM 242 O2 DT A 7 -4.185 -5.837 -2.544 1.00 0.00 O ATOM 243 N3 DT A 7 -4.261 -5.660 -0.311 1.00 0.00 N ATOM 244 C4 DT A 7 -4.853 -5.439 0.903 1.00 0.00 C ATOM 245 O4 DT A 7 -4.177 -5.527 1.932 1.00 0.00 O ATOM 246 C5 DT A 7 -6.277 -5.097 0.808 1.00 0.00 C ATOM 247 C7 DT A 7 -7.077 -4.829 2.083 1.00 0.00 C ATOM 248 C6 DT A 7 -6.919 -5.021 -0.391 1.00 0.00 C ATOM 0 H5' DT A 7 -8.425 -1.573 -3.707 1.00 0.00 H new ATOM 0 H5'' DT A 7 -9.603 -2.226 -4.828 1.00 0.00 H new ATOM 0 H4' DT A 7 -7.713 -3.453 -5.149 1.00 0.00 H new ATOM 0 H3' DT A 7 -9.957 -4.983 -4.123 1.00 0.00 H new ATOM 0 H2' DT A 7 -8.845 -5.696 -2.159 1.00 0.00 H new ATOM 0 H2'' DT A 7 -8.160 -6.840 -3.297 1.00 0.00 H new ATOM 0 H1' DT A 7 -6.161 -5.593 -3.579 1.00 0.00 H new ATOM 0 H3 DT A 7 -3.268 -5.893 -0.300 1.00 0.00 H new ATOM 0 H71 DT A 7 -6.660 -5.413 2.903 1.00 0.00 H new ATOM 0 H72 DT A 7 -7.024 -3.769 2.329 1.00 0.00 H new ATOM 0 H73 DT A 7 -8.117 -5.114 1.926 1.00 0.00 H new ATOM 0 H6 DT A 7 -7.971 -4.777 -0.424 1.00 0.00 H new ATOM 261 P DT A 8 -9.019 -7.030 -6.017 1.00 0.00 P ATOM 262 OP1 DT A 8 -9.330 -6.981 -7.469 1.00 0.00 O ATOM 263 OP2 DT A 8 -10.034 -7.600 -5.092 1.00 0.00 O ATOM 264 O5' DT A 8 -7.617 -7.748 -5.815 1.00 0.00 O ATOM 265 C5' DT A 8 -6.469 -7.291 -6.546 1.00 0.00 C ATOM 266 C4' DT A 8 -5.205 -8.093 -6.251 1.00 0.00 C ATOM 267 O4' DT A 8 -4.815 -7.909 -4.907 1.00 0.00 O ATOM 268 C3' DT A 8 -5.373 -9.605 -6.515 1.00 0.00 C ATOM 269 O3' DT A 8 -4.229 -10.075 -7.262 1.00 0.00 O ATOM 270 C2' DT A 8 -5.449 -10.163 -5.085 1.00 0.00 C ATOM 271 C1' DT A 8 -4.536 -9.184 -4.361 1.00 0.00 C ATOM 272 N1 DT A 8 -4.762 -9.104 -2.879 1.00 0.00 N ATOM 273 C2 DT A 8 -3.650 -9.310 -2.047 1.00 0.00 C ATOM 274 O2 DT A 8 -2.530 -9.579 -2.455 1.00 0.00 O ATOM 275 N3 DT A 8 -3.868 -9.227 -0.692 1.00 0.00 N ATOM 276 C4 DT A 8 -5.068 -9.013 -0.075 1.00 0.00 C ATOM 277 O4 DT A 8 -5.097 -9.021 1.150 1.00 0.00 O ATOM 278 C5 DT A 8 -6.189 -8.794 -0.980 1.00 0.00 C ATOM 279 C7 DT A 8 -7.585 -8.540 -0.426 1.00 0.00 C ATOM 280 C6 DT A 8 -6.003 -8.847 -2.335 1.00 0.00 C ATOM 0 H5' DT A 8 -6.289 -6.243 -6.308 1.00 0.00 H new ATOM 0 H5'' DT A 8 -6.683 -7.343 -7.614 1.00 0.00 H new ATOM 0 H4' DT A 8 -4.440 -7.719 -6.931 1.00 0.00 H new ATOM 0 H3' DT A 8 -6.238 -9.901 -7.109 1.00 0.00 H new ATOM 0 H2' DT A 8 -6.465 -10.154 -4.689 1.00 0.00 H new ATOM 0 H2'' DT A 8 -5.091 -11.190 -5.021 1.00 0.00 H new ATOM 0 H1' DT A 8 -3.509 -9.521 -4.497 1.00 0.00 H new ATOM 0 H3 DT A 8 -3.053 -9.336 -0.088 1.00 0.00 H new ATOM 0 H71 DT A 8 -8.141 -7.906 -1.117 1.00 0.00 H new ATOM 0 H72 DT A 8 -8.107 -9.489 -0.305 1.00 0.00 H new ATOM 0 H73 DT A 8 -7.508 -8.042 0.541 1.00 0.00 H new ATOM 0 H6 DT A 8 -6.845 -8.684 -2.991 1.00 0.00 H new ATOM 293 P DC A 9 -4.068 -11.570 -7.792 1.00 0.00 P ATOM 294 OP1 DC A 9 -3.397 -11.502 -9.111 1.00 0.00 O ATOM 295 OP2 DC A 9 -5.354 -12.284 -7.679 1.00 0.00 O ATOM 296 O5' DC A 9 -3.026 -12.209 -6.731 1.00 0.00 O ATOM 297 C5' DC A 9 -1.651 -11.806 -6.715 1.00 0.00 C ATOM 298 C4' DC A 9 -0.773 -12.590 -5.710 1.00 0.00 C ATOM 299 O4' DC A 9 -1.121 -12.244 -4.381 1.00 0.00 O ATOM 300 C3' DC A 9 -0.903 -14.122 -5.904 1.00 0.00 C ATOM 301 O3' DC A 9 0.392 -14.735 -5.820 1.00 0.00 O ATOM 302 C2' DC A 9 -1.810 -14.446 -4.719 1.00 0.00 C ATOM 303 C1' DC A 9 -1.353 -13.452 -3.660 1.00 0.00 C ATOM 304 N1 DC A 9 -2.374 -13.205 -2.619 1.00 0.00 N ATOM 305 C2 DC A 9 -2.025 -13.345 -1.261 1.00 0.00 C ATOM 306 O2 DC A 9 -0.906 -13.695 -0.880 1.00 0.00 O ATOM 307 N3 DC A 9 -2.920 -13.057 -0.289 1.00 0.00 N ATOM 308 C4 DC A 9 -4.130 -12.664 -0.633 1.00 0.00 C ATOM 309 N4 DC A 9 -4.954 -12.383 0.334 1.00 0.00 N ATOM 310 C5 DC A 9 -4.543 -12.472 -1.982 1.00 0.00 C ATOM 311 C6 DC A 9 -3.635 -12.770 -2.949 1.00 0.00 C ATOM 0 H5' DC A 9 -1.598 -10.744 -6.476 1.00 0.00 H new ATOM 0 H5'' DC A 9 -1.236 -11.928 -7.716 1.00 0.00 H new ATOM 0 H4' DC A 9 0.265 -12.315 -5.899 1.00 0.00 H new ATOM 0 H3' DC A 9 -1.294 -14.470 -6.860 1.00 0.00 H new ATOM 0 H2' DC A 9 -2.863 -14.315 -4.968 1.00 0.00 H new ATOM 0 H2'' DC A 9 -1.687 -15.477 -4.386 1.00 0.00 H new ATOM 0 H1' DC A 9 -0.478 -13.834 -3.134 1.00 0.00 H new ATOM 0 H41 DC A 9 -5.903 -12.074 0.122 1.00 0.00 H new ATOM 0 H42 DC A 9 -4.651 -12.472 1.304 1.00 0.00 H new ATOM 0 H5 DC A 9 -5.530 -12.107 -2.225 1.00 0.00 H new ATOM 0 H6 DC A 9 -3.908 -12.664 -3.989 1.00 0.00 H new ATOM 323 P DA A 10 0.626 -16.286 -6.129 1.00 0.00 P ATOM 324 OP1 DA A 10 2.005 -16.446 -6.642 1.00 0.00 O ATOM 325 OP2 DA A 10 -0.514 -16.811 -6.930 1.00 0.00 O ATOM 326 O5' DA A 10 0.562 -16.928 -4.654 1.00 0.00 O ATOM 327 C5' DA A 10 1.599 -16.712 -3.705 1.00 0.00 C ATOM 328 C4' DA A 10 1.327 -17.306 -2.317 1.00 0.00 C ATOM 329 O4' DA A 10 0.229 -16.636 -1.693 1.00 0.00 O ATOM 330 C3' DA A 10 0.969 -18.815 -2.352 1.00 0.00 C ATOM 331 O3' DA A 10 1.813 -19.553 -1.468 1.00 0.00 O ATOM 332 C2' DA A 10 -0.459 -18.839 -1.840 1.00 0.00 C ATOM 333 C1' DA A 10 -0.479 -17.605 -0.938 1.00 0.00 C ATOM 334 N9 DA A 10 -1.848 -17.123 -0.582 1.00 0.00 N ATOM 335 C8 DA A 10 -2.906 -16.807 -1.402 1.00 0.00 C ATOM 336 N7 DA A 10 -3.979 -16.379 -0.765 1.00 0.00 N ATOM 337 C5 DA A 10 -3.556 -16.387 0.567 1.00 0.00 C ATOM 338 C6 DA A 10 -4.160 -16.017 1.795 1.00 0.00 C ATOM 339 N6 DA A 10 -5.412 -15.583 1.954 1.00 0.00 N ATOM 340 N1 DA A 10 -3.528 -16.163 2.963 1.00 0.00 N ATOM 341 C2 DA A 10 -2.294 -16.695 2.936 1.00 0.00 C ATOM 342 N3 DA A 10 -1.605 -17.066 1.869 1.00 0.00 N ATOM 343 C4 DA A 10 -2.286 -16.862 0.698 1.00 0.00 C ATOM 0 H5' DA A 10 1.761 -15.639 -3.601 1.00 0.00 H new ATOM 0 H5'' DA A 10 2.524 -17.138 -4.093 1.00 0.00 H new ATOM 0 H4' DA A 10 2.256 -17.174 -1.762 1.00 0.00 H new ATOM 0 H3' DA A 10 1.089 -19.259 -3.340 1.00 0.00 H new ATOM 0 H2' DA A 10 -1.186 -18.768 -2.649 1.00 0.00 H new ATOM 0 H2'' DA A 10 -0.682 -19.753 -1.290 1.00 0.00 H new ATOM 0 HO3' DA A 10 1.572 -20.502 -1.502 1.00 0.00 H new ATOM 0 H1' DA A 10 -0.036 -17.823 0.033 1.00 0.00 H new ATOM 0 H8 DA A 10 -2.862 -16.901 -2.477 1.00 0.00 H new ATOM 0 H61 DA A 10 -5.754 -15.341 2.884 1.00 0.00 H new ATOM 0 H62 DA A 10 -6.027 -15.493 1.145 1.00 0.00 H new ATOM 0 H2 DA A 10 -1.811 -16.835 3.892 1.00 0.00 H new TER 356 DA A 10 ATOM 357 O5' DT B 11 -6.928 -18.005 11.828 1.00 0.00 O ATOM 358 C5' DT B 11 -5.914 -16.992 11.902 1.00 0.00 C ATOM 359 C4' DT B 11 -4.596 -17.438 11.238 1.00 0.00 C ATOM 360 O4' DT B 11 -4.815 -17.483 9.825 1.00 0.00 O ATOM 361 C3' DT B 11 -3.469 -16.449 11.508 1.00 0.00 C ATOM 362 O3' DT B 11 -2.266 -17.194 11.587 1.00 0.00 O ATOM 363 C2' DT B 11 -3.540 -15.552 10.269 1.00 0.00 C ATOM 364 C1' DT B 11 -3.948 -16.565 9.188 1.00 0.00 C ATOM 365 N1 DT B 11 -4.608 -15.976 7.986 1.00 0.00 N ATOM 366 C2 DT B 11 -4.039 -16.225 6.726 1.00 0.00 C ATOM 367 O2 DT B 11 -3.006 -16.861 6.542 1.00 0.00 O ATOM 368 N3 DT B 11 -4.714 -15.697 5.625 1.00 0.00 N ATOM 369 C4 DT B 11 -5.896 -15.000 5.642 1.00 0.00 C ATOM 370 O4 DT B 11 -6.438 -14.683 4.576 1.00 0.00 O ATOM 371 C5 DT B 11 -6.397 -14.720 6.999 1.00 0.00 C ATOM 372 C7 DT B 11 -7.695 -13.931 7.167 1.00 0.00 C ATOM 373 C6 DT B 11 -5.763 -15.219 8.099 1.00 0.00 C ATOM 0 H5' DT B 11 -5.727 -16.743 12.947 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.274 -16.084 11.418 1.00 0.00 H new ATOM 0 H4' DT B 11 -4.309 -18.408 11.644 1.00 0.00 H new ATOM 0 H3' DT B 11 -3.531 -15.867 12.428 1.00 0.00 H new ATOM 0 H2' DT B 11 -4.273 -14.753 10.381 1.00 0.00 H new ATOM 0 H2'' DT B 11 -2.583 -15.078 10.049 1.00 0.00 H new ATOM 0 HO5' DT B 11 -7.745 -17.682 12.262 1.00 0.00 H new ATOM 0 H1' DT B 11 -3.045 -17.028 8.790 1.00 0.00 H new ATOM 0 H3 DT B 11 -4.284 -15.844 4.712 1.00 0.00 H new ATOM 0 H71 DT B 11 -8.196 -14.245 8.083 1.00 0.00 H new ATOM 0 H72 DT B 11 -7.469 -12.866 7.224 1.00 0.00 H new ATOM 0 H73 DT B 11 -8.348 -14.118 6.314 1.00 0.00 H new ATOM 0 H6 DT B 11 -6.170 -15.020 9.079 1.00 0.00 H new ATOM 387 P DG B 12 -0.851 -16.554 11.989 1.00 0.00 P ATOM 388 OP1 DG B 12 -0.039 -17.614 12.639 1.00 0.00 O ATOM 389 OP2 DG B 12 -1.075 -15.269 12.698 1.00 0.00 O ATOM 390 O5' DG B 12 -0.195 -16.262 10.559 1.00 0.00 O ATOM 391 C5' DG B 12 0.511 -15.083 10.276 1.00 0.00 C ATOM 392 C4' DG B 12 1.189 -15.162 8.901 1.00 0.00 C ATOM 393 O4' DG B 12 0.186 -15.247 7.888 1.00 0.00 O ATOM 394 C3' DG B 12 2.001 -13.880 8.620 1.00 0.00 C ATOM 395 O3' DG B 12 3.157 -14.193 7.864 1.00 0.00 O ATOM 396 C2' DG B 12 0.966 -13.048 7.870 1.00 0.00 C ATOM 397 C1' DG B 12 0.374 -14.148 6.992 1.00 0.00 C ATOM 398 N9 DG B 12 -0.877 -13.721 6.327 1.00 0.00 N ATOM 399 C8 DG B 12 -2.044 -13.283 6.894 1.00 0.00 C ATOM 400 N7 DG B 12 -2.975 -12.941 6.054 1.00 0.00 N ATOM 401 C5 DG B 12 -2.361 -13.164 4.810 1.00 0.00 C ATOM 402 C6 DG B 12 -2.829 -12.988 3.456 1.00 0.00 C ATOM 403 O6 DG B 12 -3.919 -12.613 3.050 1.00 0.00 O ATOM 404 N1 DG B 12 -1.892 -13.269 2.487 1.00 0.00 N ATOM 405 C2 DG B 12 -0.626 -13.728 2.773 1.00 0.00 C ATOM 406 N2 DG B 12 0.170 -13.962 1.772 1.00 0.00 N ATOM 407 N3 DG B 12 -0.167 -13.948 3.998 1.00 0.00 N ATOM 408 C4 DG B 12 -1.073 -13.630 4.977 1.00 0.00 C ATOM 0 H5' DG B 12 1.263 -14.912 11.046 1.00 0.00 H new ATOM 0 H5'' DG B 12 -0.170 -14.233 10.301 1.00 0.00 H new ATOM 0 H4' DG B 12 1.844 -16.034 8.896 1.00 0.00 H new ATOM 0 H3' DG B 12 2.401 -13.358 9.489 1.00 0.00 H new ATOM 0 H2' DG B 12 0.229 -12.594 8.533 1.00 0.00 H new ATOM 0 H2'' DG B 12 1.413 -12.240 7.290 1.00 0.00 H new ATOM 0 H1' DG B 12 1.026 -14.414 6.160 1.00 0.00 H new ATOM 0 H8 DG B 12 -2.181 -13.226 7.964 1.00 0.00 H new ATOM 0 H1 DG B 12 -2.148 -13.130 1.510 1.00 0.00 H new ATOM 0 H21 DG B 12 1.116 -14.303 1.942 1.00 0.00 H new ATOM 0 H22 DG B 12 -0.152 -13.805 0.817 1.00 0.00 H new ATOM 420 P DA B 13 4.283 -13.111 7.422 1.00 0.00 P ATOM 421 OP1 DA B 13 5.594 -13.809 7.462 1.00 0.00 O ATOM 422 OP2 DA B 13 4.113 -11.863 8.210 1.00 0.00 O ATOM 423 O5' DA B 13 3.912 -12.815 5.870 1.00 0.00 O ATOM 424 C5' DA B 13 4.033 -13.829 4.875 1.00 0.00 C ATOM 425 C4' DA B 13 4.149 -13.345 3.427 1.00 0.00 C ATOM 426 O4' DA B 13 2.901 -12.904 2.933 1.00 0.00 O ATOM 427 C3' DA B 13 5.161 -12.212 3.160 1.00 0.00 C ATOM 428 O3' DA B 13 5.802 -12.384 1.899 1.00 0.00 O ATOM 429 C2' DA B 13 4.228 -11.011 3.228 1.00 0.00 C ATOM 430 C1' DA B 13 2.952 -11.531 2.591 1.00 0.00 C ATOM 431 N9 DA B 13 1.697 -10.893 3.027 1.00 0.00 N ATOM 432 C8 DA B 13 1.315 -10.477 4.285 1.00 0.00 C ATOM 433 N7 DA B 13 0.083 -10.018 4.360 1.00 0.00 N ATOM 434 C5 DA B 13 -0.356 -10.103 3.041 1.00 0.00 C ATOM 435 C6 DA B 13 -1.581 -9.824 2.362 1.00 0.00 C ATOM 436 N6 DA B 13 -2.699 -9.388 2.922 1.00 0.00 N ATOM 437 N1 DA B 13 -1.693 -9.986 1.047 1.00 0.00 N ATOM 438 C2 DA B 13 -0.657 -10.488 0.386 1.00 0.00 C ATOM 439 N3 DA B 13 0.529 -10.837 0.881 1.00 0.00 N ATOM 440 C4 DA B 13 0.613 -10.616 2.215 1.00 0.00 C ATOM 0 H5' DA B 13 3.166 -14.486 4.948 1.00 0.00 H new ATOM 0 H5'' DA B 13 4.911 -14.432 5.106 1.00 0.00 H new ATOM 0 H4' DA B 13 4.517 -14.233 2.913 1.00 0.00 H new ATOM 0 H3' DA B 13 6.004 -12.144 3.847 1.00 0.00 H new ATOM 0 H2' DA B 13 4.063 -10.686 4.255 1.00 0.00 H new ATOM 0 H2'' DA B 13 4.631 -10.156 2.685 1.00 0.00 H new ATOM 0 H1' DA B 13 3.004 -11.314 1.524 1.00 0.00 H new ATOM 0 H8 DA B 13 1.973 -10.524 5.140 1.00 0.00 H new ATOM 0 H61 DA B 13 -3.525 -9.218 2.348 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.735 -9.222 3.928 1.00 0.00 H new ATOM 0 H2 DA B 13 -0.792 -10.630 -0.676 1.00 0.00 H new ATOM 452 P DA B 14 6.863 -11.347 1.247 1.00 0.00 P ATOM 453 OP1 DA B 14 7.852 -12.143 0.466 1.00 0.00 O ATOM 454 OP2 DA B 14 7.345 -10.384 2.269 1.00 0.00 O ATOM 455 O5' DA B 14 5.930 -10.573 0.173 1.00 0.00 O ATOM 456 C5' DA B 14 5.359 -11.253 -0.939 1.00 0.00 C ATOM 457 C4' DA B 14 4.491 -10.322 -1.788 1.00 0.00 C ATOM 458 O4' DA B 14 3.292 -9.948 -1.094 1.00 0.00 O ATOM 459 C3' DA B 14 5.212 -9.011 -2.200 1.00 0.00 C ATOM 460 O3' DA B 14 4.894 -8.609 -3.528 1.00 0.00 O ATOM 461 C2' DA B 14 4.562 -7.990 -1.268 1.00 0.00 C ATOM 462 C1' DA B 14 3.130 -8.555 -1.270 1.00 0.00 C ATOM 463 N9 DA B 14 2.274 -8.051 -0.173 1.00 0.00 N ATOM 464 C8 DA B 14 2.575 -7.894 1.158 1.00 0.00 C ATOM 465 N7 DA B 14 1.602 -7.395 1.880 1.00 0.00 N ATOM 466 C5 DA B 14 0.598 -7.182 0.927 1.00 0.00 C ATOM 467 C6 DA B 14 -0.724 -6.632 0.963 1.00 0.00 C ATOM 468 N6 DA B 14 -1.358 -6.241 2.053 1.00 0.00 N ATOM 469 N1 DA B 14 -1.466 -6.573 -0.156 1.00 0.00 N ATOM 470 C2 DA B 14 -0.922 -6.982 -1.298 1.00 0.00 C ATOM 471 N3 DA B 14 0.301 -7.462 -1.494 1.00 0.00 N ATOM 472 C4 DA B 14 1.016 -7.544 -0.334 1.00 0.00 C ATOM 0 H5' DA B 14 4.756 -12.089 -0.584 1.00 0.00 H new ATOM 0 H5'' DA B 14 6.154 -11.673 -1.556 1.00 0.00 H new ATOM 0 H4' DA B 14 4.263 -10.898 -2.685 1.00 0.00 H new ATOM 0 H3' DA B 14 6.296 -9.114 -2.144 1.00 0.00 H new ATOM 0 H2' DA B 14 5.011 -7.979 -0.275 1.00 0.00 H new ATOM 0 H2'' DA B 14 4.615 -6.972 -1.653 1.00 0.00 H new ATOM 0 H1' DA B 14 2.633 -8.259 -2.194 1.00 0.00 H new ATOM 0 H8 DA B 14 3.535 -8.160 1.575 1.00 0.00 H new ATOM 0 H61 DA B 14 -2.302 -5.860 1.985 1.00 0.00 H new ATOM 0 H62 DA B 14 -0.904 -6.320 2.963 1.00 0.00 H new ATOM 0 H2 DA B 14 -1.551 -6.916 -2.173 1.00 0.00 H new ATOM 484 P DT B 15 5.620 -9.189 -4.814 1.00 0.00 P ATOM 485 OP1 DT B 15 5.230 -10.610 -4.985 1.00 0.00 O ATOM 486 OP2 DT B 15 7.044 -8.812 -4.746 1.00 0.00 O ATOM 487 O5' DT B 15 4.907 -8.336 -5.955 1.00 0.00 O ATOM 488 C5' DT B 15 5.044 -6.921 -6.064 1.00 0.00 C ATOM 489 C4' DT B 15 3.660 -6.258 -6.279 1.00 0.00 C ATOM 490 O4' DT B 15 2.907 -6.267 -5.056 1.00 0.00 O ATOM 491 C3' DT B 15 3.846 -4.770 -6.688 1.00 0.00 C ATOM 492 O3' DT B 15 3.088 -4.460 -7.853 1.00 0.00 O ATOM 493 C2' DT B 15 3.357 -4.020 -5.477 1.00 0.00 C ATOM 494 C1' DT B 15 2.325 -4.986 -4.905 1.00 0.00 C ATOM 495 N1 DT B 15 1.945 -4.665 -3.490 1.00 0.00 N ATOM 496 C2 DT B 15 0.627 -4.236 -3.216 1.00 0.00 C ATOM 497 O2 DT B 15 -0.246 -4.128 -4.070 1.00 0.00 O ATOM 498 N3 DT B 15 0.337 -3.925 -1.910 1.00 0.00 N ATOM 499 C4 DT B 15 1.211 -4.019 -0.856 1.00 0.00 C ATOM 500 O4 DT B 15 0.806 -3.779 0.279 1.00 0.00 O ATOM 501 C5 DT B 15 2.563 -4.445 -1.208 1.00 0.00 C ATOM 502 C7 DT B 15 3.618 -4.571 -0.126 1.00 0.00 C ATOM 503 C6 DT B 15 2.883 -4.754 -2.486 1.00 0.00 C ATOM 0 H5' DT B 15 5.704 -6.676 -6.896 1.00 0.00 H new ATOM 0 H5'' DT B 15 5.508 -6.524 -5.161 1.00 0.00 H new ATOM 0 H4' DT B 15 3.138 -6.817 -7.056 1.00 0.00 H new ATOM 0 H3' DT B 15 4.873 -4.516 -6.950 1.00 0.00 H new ATOM 0 H2' DT B 15 4.161 -3.816 -4.770 1.00 0.00 H new ATOM 0 H2'' DT B 15 2.915 -3.060 -5.742 1.00 0.00 H new ATOM 0 H1' DT B 15 1.373 -4.920 -5.432 1.00 0.00 H new ATOM 0 H3 DT B 15 -0.607 -3.597 -1.706 1.00 0.00 H new ATOM 0 H71 DT B 15 4.331 -5.348 -0.402 1.00 0.00 H new ATOM 0 H72 DT B 15 4.141 -3.621 -0.015 1.00 0.00 H new ATOM 0 H73 DT B 15 3.141 -4.835 0.818 1.00 0.00 H new ATOM 0 H6 DT B 15 3.887 -5.075 -2.721 1.00 0.00 H new ATOM 516 P DC B 16 3.205 -3.053 -8.646 1.00 0.00 P ATOM 517 OP1 DC B 16 2.885 -3.383 -10.058 1.00 0.00 O ATOM 518 OP2 DC B 16 4.500 -2.391 -8.345 1.00 0.00 O ATOM 519 O5' DC B 16 2.021 -2.146 -8.054 1.00 0.00 O ATOM 520 C5' DC B 16 0.648 -2.423 -8.346 1.00 0.00 C ATOM 521 C4' DC B 16 -0.313 -1.439 -7.665 1.00 0.00 C ATOM 522 O4' DC B 16 -0.279 -1.619 -6.258 1.00 0.00 O ATOM 523 C3' DC B 16 -0.015 0.048 -7.966 1.00 0.00 C ATOM 524 O3' DC B 16 -1.193 0.738 -8.355 1.00 0.00 O ATOM 525 C2' DC B 16 0.465 0.572 -6.618 1.00 0.00 C ATOM 526 C1' DC B 16 -0.269 -0.353 -5.637 1.00 0.00 C ATOM 527 N1 DC B 16 0.387 -0.482 -4.306 1.00 0.00 N ATOM 528 C2 DC B 16 -0.319 -0.193 -3.127 1.00 0.00 C ATOM 529 O2 DC B 16 -1.493 0.172 -3.170 1.00 0.00 O ATOM 530 N3 DC B 16 0.291 -0.267 -1.918 1.00 0.00 N ATOM 531 C4 DC B 16 1.540 -0.650 -1.869 1.00 0.00 C ATOM 532 N4 DC B 16 2.083 -0.755 -0.678 1.00 0.00 N ATOM 533 C5 DC B 16 2.299 -0.965 -3.017 1.00 0.00 C ATOM 534 C6 DC B 16 1.710 -0.861 -4.224 1.00 0.00 C ATOM 0 H5' DC B 16 0.410 -3.437 -8.025 1.00 0.00 H new ATOM 0 H5'' DC B 16 0.496 -2.386 -9.425 1.00 0.00 H new ATOM 0 H4' DC B 16 -1.296 -1.665 -8.077 1.00 0.00 H new ATOM 0 H3' DC B 16 0.699 0.181 -8.779 1.00 0.00 H new ATOM 0 H2' DC B 16 1.548 0.500 -6.514 1.00 0.00 H new ATOM 0 H2'' DC B 16 0.199 1.619 -6.469 1.00 0.00 H new ATOM 0 H1' DC B 16 -1.257 0.061 -5.436 1.00 0.00 H new ATOM 0 H41 DC B 16 3.055 -1.050 -0.585 1.00 0.00 H new ATOM 0 H42 DC B 16 1.533 -0.541 0.154 1.00 0.00 H new ATOM 0 H5 DC B 16 3.328 -1.282 -2.930 1.00 0.00 H new ATOM 0 H6 DC B 16 2.271 -1.073 -5.122 1.00 0.00 H new ATOM 546 P DT B 17 -1.187 2.012 -9.343 1.00 0.00 P ATOM 547 OP1 DT B 17 -2.606 2.371 -9.614 1.00 0.00 O ATOM 548 OP2 DT B 17 -0.328 1.676 -10.502 1.00 0.00 O ATOM 549 O5' DT B 17 -0.513 3.218 -8.496 1.00 0.00 O ATOM 550 C5' DT B 17 0.702 3.842 -8.920 1.00 0.00 C ATOM 551 C4' DT B 17 0.975 5.166 -8.188 1.00 0.00 C ATOM 552 O4' DT B 17 1.544 4.967 -6.877 1.00 0.00 O ATOM 553 C3' DT B 17 1.947 6.046 -8.979 1.00 0.00 C ATOM 554 O3' DT B 17 1.375 7.319 -9.241 1.00 0.00 O ATOM 555 C2' DT B 17 3.068 6.271 -7.968 1.00 0.00 C ATOM 556 C1' DT B 17 2.335 6.122 -6.638 1.00 0.00 C ATOM 557 N1 DT B 17 3.207 5.989 -5.427 1.00 0.00 N ATOM 558 C2 DT B 17 2.666 6.457 -4.228 1.00 0.00 C ATOM 559 O2 DT B 17 1.556 6.962 -4.124 1.00 0.00 O ATOM 560 N3 DT B 17 3.431 6.300 -3.101 1.00 0.00 N ATOM 561 C4 DT B 17 4.719 5.765 -3.051 1.00 0.00 C ATOM 562 O4 DT B 17 5.306 5.723 -1.965 1.00 0.00 O ATOM 563 C5 DT B 17 5.222 5.320 -4.341 1.00 0.00 C ATOM 564 C7 DT B 17 6.624 4.724 -4.412 1.00 0.00 C ATOM 565 C6 DT B 17 4.470 5.408 -5.479 1.00 0.00 C ATOM 0 H5' DT B 17 0.655 4.028 -9.993 1.00 0.00 H new ATOM 0 H5'' DT B 17 1.535 3.159 -8.751 1.00 0.00 H new ATOM 0 H4' DT B 17 0.003 5.650 -8.092 1.00 0.00 H new ATOM 0 H3' DT B 17 2.237 5.598 -9.929 1.00 0.00 H new ATOM 0 H2' DT B 17 3.868 5.538 -8.077 1.00 0.00 H new ATOM 0 H2'' DT B 17 3.522 7.256 -8.075 1.00 0.00 H new ATOM 0 H1' DT B 17 1.772 7.019 -6.380 1.00 0.00 H new ATOM 0 H3 DT B 17 3.021 6.602 -2.217 1.00 0.00 H new ATOM 0 H71 DT B 17 6.668 3.994 -5.220 1.00 0.00 H new ATOM 0 H72 DT B 17 7.348 5.517 -4.600 1.00 0.00 H new ATOM 0 H73 DT B 17 6.860 4.234 -3.467 1.00 0.00 H new ATOM 0 H6 DT B 17 4.854 5.028 -6.414 1.00 0.00 H new ATOM 578 P DT B 18 0.441 7.641 -10.527 1.00 0.00 P ATOM 579 OP1 DT B 18 -0.568 6.568 -10.696 1.00 0.00 O ATOM 580 OP2 DT B 18 1.335 7.999 -11.653 1.00 0.00 O ATOM 581 O5' DT B 18 -0.342 8.975 -10.089 1.00 0.00 O ATOM 582 C5' DT B 18 -1.362 8.971 -9.117 1.00 0.00 C ATOM 583 C4' DT B 18 -1.089 9.981 -7.979 1.00 0.00 C ATOM 584 O4' DT B 18 -0.117 9.483 -7.035 1.00 0.00 O ATOM 585 C3' DT B 18 -0.591 11.374 -8.446 1.00 0.00 C ATOM 586 O3' DT B 18 -1.236 12.455 -7.744 1.00 0.00 O ATOM 587 C2' DT B 18 0.862 11.348 -8.004 1.00 0.00 C ATOM 588 C1' DT B 18 0.711 10.574 -6.681 1.00 0.00 C ATOM 589 N1 DT B 18 1.999 10.204 -6.013 1.00 0.00 N ATOM 590 C2 DT B 18 2.023 10.303 -4.616 1.00 0.00 C ATOM 591 O2 DT B 18 1.079 10.696 -3.945 1.00 0.00 O ATOM 592 N3 DT B 18 3.179 9.928 -3.986 1.00 0.00 N ATOM 593 C4 DT B 18 4.290 9.408 -4.604 1.00 0.00 C ATOM 594 O4 DT B 18 5.213 9.008 -3.896 1.00 0.00 O ATOM 595 C5 DT B 18 4.233 9.359 -6.065 1.00 0.00 C ATOM 596 C7 DT B 18 5.426 8.851 -6.862 1.00 0.00 C ATOM 597 C6 DT B 18 3.102 9.765 -6.718 1.00 0.00 C ATOM 0 H5' DT B 18 -1.457 7.970 -8.697 1.00 0.00 H new ATOM 0 H5'' DT B 18 -2.314 9.209 -9.591 1.00 0.00 H new ATOM 0 H4' DT B 18 -2.070 10.101 -7.519 1.00 0.00 H new ATOM 0 H3' DT B 18 -0.776 11.536 -9.508 1.00 0.00 H new ATOM 0 H2' DT B 18 1.508 10.836 -8.717 1.00 0.00 H new ATOM 0 H2'' DT B 18 1.274 12.347 -7.860 1.00 0.00 H new ATOM 0 H1' DT B 18 0.269 11.186 -5.895 1.00 0.00 H new ATOM 0 H3 DT B 18 3.219 10.044 -2.973 1.00 0.00 H new ATOM 0 H71 DT B 18 6.346 9.069 -6.319 1.00 0.00 H new ATOM 0 H72 DT B 18 5.336 7.774 -7.006 1.00 0.00 H new ATOM 0 H73 DT B 18 5.452 9.346 -7.833 1.00 0.00 H new ATOM 0 H6 DT B 18 3.071 9.742 -7.797 1.00 0.00 H new ATOM 610 P DA B 19 -2.507 13.215 -8.341 1.00 0.00 P ATOM 611 OP1 DA B 19 -3.622 12.261 -8.576 1.00 0.00 O ATOM 612 OP2 DA B 19 -2.085 14.080 -9.445 1.00 0.00 O ATOM 613 O5' DA B 19 -2.890 14.147 -7.082 1.00 0.00 O ATOM 614 C5' DA B 19 -3.738 13.690 -6.038 1.00 0.00 C ATOM 615 C4' DA B 19 -3.595 14.448 -4.712 1.00 0.00 C ATOM 616 O4' DA B 19 -2.377 14.084 -4.060 1.00 0.00 O ATOM 617 C3' DA B 19 -3.639 15.980 -4.813 1.00 0.00 C ATOM 618 O3' DA B 19 -4.319 16.468 -3.662 1.00 0.00 O ATOM 619 C2' DA B 19 -2.147 16.319 -4.858 1.00 0.00 C ATOM 620 C1' DA B 19 -1.489 15.196 -4.023 1.00 0.00 C ATOM 621 N9 DA B 19 -0.174 14.763 -4.542 1.00 0.00 N ATOM 622 C8 DA B 19 0.273 14.646 -5.842 1.00 0.00 C ATOM 623 N7 DA B 19 1.511 14.196 -5.942 1.00 0.00 N ATOM 624 C5 DA B 19 1.884 14.015 -4.611 1.00 0.00 C ATOM 625 C6 DA B 19 3.061 13.560 -3.967 1.00 0.00 C ATOM 626 N6 DA B 19 4.159 13.134 -4.592 1.00 0.00 N ATOM 627 N1 DA B 19 3.139 13.478 -2.628 1.00 0.00 N ATOM 628 C2 DA B 19 2.085 13.871 -1.931 1.00 0.00 C ATOM 629 N3 DA B 19 0.923 14.341 -2.386 1.00 0.00 N ATOM 630 C4 DA B 19 0.881 14.372 -3.753 1.00 0.00 C ATOM 0 H5' DA B 19 -3.534 12.634 -5.860 1.00 0.00 H new ATOM 0 H5'' DA B 19 -4.773 13.763 -6.372 1.00 0.00 H new ATOM 0 H4' DA B 19 -4.474 14.149 -4.142 1.00 0.00 H new ATOM 0 H3' DA B 19 -4.167 16.415 -5.662 1.00 0.00 H new ATOM 0 H2' DA B 19 -1.770 16.331 -5.881 1.00 0.00 H new ATOM 0 H2'' DA B 19 -1.947 17.303 -4.433 1.00 0.00 H new ATOM 0 H1' DA B 19 -1.314 15.578 -3.017 1.00 0.00 H new ATOM 0 H8 DA B 19 -0.333 14.899 -6.699 1.00 0.00 H new ATOM 0 H61 DA B 19 4.965 12.822 -4.051 1.00 0.00 H new ATOM 0 H62 DA B 19 4.192 13.120 -5.611 1.00 0.00 H new ATOM 0 H2 DA B 19 2.178 13.802 -0.857 1.00 0.00 H new ATOM 642 P DG B 20 -4.454 18.019 -3.276 1.00 0.00 P ATOM 643 OP1 DG B 20 -5.716 18.168 -2.504 1.00 0.00 O ATOM 644 OP2 DG B 20 -4.244 18.856 -4.474 1.00 0.00 O ATOM 645 O5' DG B 20 -3.213 18.233 -2.261 1.00 0.00 O ATOM 646 C5' DG B 20 -3.206 17.666 -0.946 1.00 0.00 C ATOM 647 C4' DG B 20 -1.933 17.976 -0.147 1.00 0.00 C ATOM 648 O4' DG B 20 -0.819 17.335 -0.766 1.00 0.00 O ATOM 649 C3' DG B 20 -1.615 19.473 -0.050 1.00 0.00 C ATOM 650 O3' DG B 20 -1.263 19.855 1.291 1.00 0.00 O ATOM 651 C2' DG B 20 -0.401 19.638 -0.981 1.00 0.00 C ATOM 652 C1' DG B 20 0.249 18.263 -0.864 1.00 0.00 C ATOM 653 N9 DG B 20 1.144 17.939 -1.993 1.00 0.00 N ATOM 654 C8 DG B 20 0.905 18.130 -3.342 1.00 0.00 C ATOM 655 N7 DG B 20 1.867 17.721 -4.115 1.00 0.00 N ATOM 656 C5 DG B 20 2.845 17.271 -3.218 1.00 0.00 C ATOM 657 C6 DG B 20 4.173 16.751 -3.436 1.00 0.00 C ATOM 658 O6 DG B 20 4.751 16.536 -4.511 1.00 0.00 O ATOM 659 N1 DG B 20 4.867 16.454 -2.277 1.00 0.00 N ATOM 660 C2 DG B 20 4.362 16.680 -1.035 1.00 0.00 C ATOM 661 N2 DG B 20 5.158 16.404 -0.028 1.00 0.00 N ATOM 662 N3 DG B 20 3.136 17.143 -0.776 1.00 0.00 N ATOM 663 C4 DG B 20 2.429 17.429 -1.911 1.00 0.00 C ATOM 0 H5' DG B 20 -3.320 16.585 -1.026 1.00 0.00 H new ATOM 0 H5'' DG B 20 -4.070 18.038 -0.395 1.00 0.00 H new ATOM 0 H4' DG B 20 -2.113 17.608 0.863 1.00 0.00 H new ATOM 0 H3' DG B 20 -2.467 20.095 -0.323 1.00 0.00 H new ATOM 0 H2' DG B 20 -0.696 19.868 -2.005 1.00 0.00 H new ATOM 0 H2'' DG B 20 0.264 20.437 -0.653 1.00 0.00 H new ATOM 0 HO3' DG B 20 -1.065 20.814 1.317 1.00 0.00 H new ATOM 0 H1' DG B 20 0.898 18.232 0.011 1.00 0.00 H new ATOM 0 H8 DG B 20 -0.001 18.580 -3.720 1.00 0.00 H new ATOM 0 H1 DG B 20 5.799 16.047 -2.358 1.00 0.00 H new ATOM 0 H21 DG B 20 4.839 16.551 0.930 1.00 0.00 H new ATOM 0 H22 DG B 20 6.095 16.042 -0.203 1.00 0.00 H new TER 676 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