USER MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 297 hydrogens (27 hets) HEADER DNA 29-MAR-02 1LAQ TITLE SOLUTION STRUCTURE OF THE B-DNA DUPLEX CGCGGTXTCCGCG TITLE 2 (X=PDG) CONTAINING THE 1,N2-PROPANODEOXYGUANOSINE ADDUCT TITLE 3 WITH THE DEOXYRIBOSE AT C20 OPPOSITE PDG IN THE C2' ENDO TITLE 4 CONFORMATION. COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*GP*CP*GP*GP*TP*(P)P*TP*CP*CP*GP*CP*G)- COMPND 3 3'; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: 5'-D(*CP*GP*CP*GP*GP*AP*(DNR)P*AP*CP*CP*GP*CP*G)- COMPND 8 3'; COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THIS SYNTHETIC DNA SEQUENCE WAS DERIVED SOURCE 4 FROM THE HISD3052 GENE OF SALMONELLA TYPHIMURIUM.; SOURCE 5 MOL_ID: 2; SOURCE 6 SYNTHETIC: YES; SOURCE 7 OTHER_DETAILS: THIS SYNTHETIC DNA SEQUENCE WAS DERIVED SOURCE 8 FROM THE HISD3052 GENE OF SALMONELLA TYPHIMURIUM. KEYWDS DNA, B-TYPE, NMR, PROPANODEOXYGUANOSINE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR J.P.WEISENSEEL,G.R.REDDY,L.J.MARNETT,M.P.STONE REVDAT 2 24-FEB-09 1LAQ 1 VERSN REVDAT 1 17-APR-02 1LAQ 0 JRNL AUTH J.P.WEISENSEEL,G.R.REDDY,L.J.MARNETT,M.P.STONE JRNL TITL STRUCTURE OF AN OLIGODEOXYNUCLEOTIDE CONTAINING A JRNL TITL 2 1,N(2)-PROPANODEOXYGUANOSINE ADDUCT POSITIONED IN JRNL TITL 3 A PALINDROME DERIVED FROM THE SALMONELLA JRNL TITL 4 TYPHIMURIUM HISD3052 GENE: HOOGSTEEN PAIRING AT PH JRNL TITL 5 5.2. JRNL REF CHEM.RES.TOXICOL. V. 15 127 2002 JRNL REFN ISSN 0893-228X JRNL PMID 11849038 JRNL DOI 10.1021/TX0101090 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER, A. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LAQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-APR-02. REMARK 100 THE RCSB ID CODE IS RCSB015796. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303; 278 REMARK 210 PH : 5.2; 5.2 REMARK 210 IONIC STRENGTH : 100 MM NACL; 100 MM NACL REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1.8 MM DNA STRAND, 10 MM REMARK 210 SODIUM PHOSPHATE, 100 MM NACL, REMARK 210 50 UM EDTA; 1.8 MM DNA STRAND, REMARK 210 1 MM SODIUM PHOSPHATE, 100 MM REMARK 210 NACL, 50 UM EDTA REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY, 31P-1H REMARK 210 COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : UXNMR 3.0, FELIX 97.0, 2000, REMARK 210 MARDIGRAS 3.2 REMARK 210 METHOD USED : MOLECULAR DYNAMICS USING A REMARK 210 SIMULATED ANNEALING PROTOCOL. REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL 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 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. = 2.6 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DC A 3 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DG A 4 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 4 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DG A 5 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG A 5 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 5 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DT A 6 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DT A 8 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DC A 9 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DC A 10 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DG A 11 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG A 11 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DC A 12 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG A 13 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG A 13 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 13 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES REMARK 500 DC B 14 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG B 15 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DG B 15 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG B 15 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DC B 16 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DG B 17 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG B 17 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG B 17 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DG B 18 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG B 18 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG B 18 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DA B 19 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA B 19 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA B 21 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DA B 21 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DC B 22 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DC B 23 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG B 24 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DG B 24 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG B 24 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES REMARK 500 DC B 25 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG B 26 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG B 26 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG B 26 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1LA8 RELATED DB: PDB REMARK 900 1LA8 IS THE SOLUTION STRUCTURE OF THE DNA 13-MER HAIRPIN REMARK 900 CGCGGTGTCCGCG REMARK 900 RELATED ID: 1LAE RELATED DB: PDB REMARK 900 1LAE IS THE SOLUTION STRUCTURE OF THE DNA 13-MER HAIRPIN REMARK 900 CGCGGTXTCCGCG (X=PDG) CONTAINING THE 1,N2- REMARK 900 PROPANODEOXYGUANOSINE ADDUCT AT THE SEVENTH POSITION. REMARK 900 RELATED ID: 1LAI RELATED DB: PDB REMARK 900 1LAI IS THE SOLUTION STRUCTURE OF THE B-DNA DUPLEX REMARK 900 CGCGGTGTCCGCG REMARK 900 RELATED ID: 1LAS RELATED DB: PDB REMARK 900 1LAS IS THE SOLUTION STRUCTURE OF THE B-DNA DUPLEX REMARK 900 CGCGGTXTCCGCG (X=PDG) CONTAINING THE 1,N2- REMARK 900 PROPANODEOXYGUANOSINE ADDUCT WITH THE DEOXYRIBOSE AT C20 REMARK 900 OPPOSITE PDG IN THE C3' ENDO CONFORMATION. DBREF 1LAQ A 1 13 PDB 1LAQ 1LAQ 1 13 DBREF 1LAQ B 14 26 PDB 1LAQ 1LAQ 14 26 SEQRES 1 A 13 DC DG DC DG DG DT P DT DC DC DG DC DG SEQRES 1 B 13 DC DG DC DG DG DA DNR DA DC DC DG DC DG MODRES 1LAQ P A 7 DG MODRES 1LAQ DNR B 20 DC HET P A 7 40 HET DNR B 20 31 HETNAM P 2'-DEOXY-N1,N2-PROPANO GUANOSINE MONOPHOSPHATE HETNAM DNR 2'-DEOXY-N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE FORMUL 1 P C13 H18 N5 O7 P FORMUL 2 DNR C9 H15 N3 O7 P 1+ LINK O3' DT A 6 P P A 7 1555 1555 1.62 LINK O3' P A 7 P DT A 8 1555 1555 1.61 LINK O3' DA B 19 P DNR B 20 1555 1555 1.62 LINK O3' DNR B 20 P DA B 21 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 50:sc= -2.07! USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.0707 (180deg=-0.0707) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DG O3' : rot 180:sc= 0 USER MOD Single : B 14 DC O5' : rot 180:sc= -0.915 USER MOD Single : B 26 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -6.546 -1.494 -5.092 1.00 1.32 O ATOM 2 C5' DC A 1 -6.414 -2.600 -5.990 1.00 1.39 C ATOM 3 C4' DC A 1 -5.206 -3.469 -5.643 1.00 1.28 C ATOM 4 O4' DC A 1 -3.975 -2.703 -5.726 1.00 1.19 O ATOM 5 C3' DC A 1 -5.292 -3.980 -4.217 1.00 1.20 C ATOM 6 O3' DC A 1 -4.665 -5.266 -4.088 1.00 1.18 O ATOM 7 C2' DC A 1 -4.562 -2.927 -3.440 1.00 1.06 C ATOM 8 C1' DC A 1 -3.477 -2.449 -4.386 1.00 1.04 C ATOM 9 N1 DC A 1 -3.199 -1.012 -4.192 1.00 0.98 N ATOM 10 C2 DC A 1 -1.910 -0.638 -3.834 1.00 0.86 C ATOM 11 O2 DC A 1 -1.032 -1.488 -3.691 1.00 0.82 O ATOM 12 N3 DC A 1 -1.651 0.686 -3.653 1.00 0.82 N ATOM 13 C4 DC A 1 -2.613 1.604 -3.817 1.00 0.89 C ATOM 14 N4 DC A 1 -2.323 2.893 -3.636 1.00 0.87 N ATOM 15 C5 DC A 1 -3.941 1.221 -4.186 1.00 1.02 C ATOM 16 C6 DC A 1 -4.186 -0.091 -4.362 1.00 1.05 C ATOM 0 H5' DC A 1 -6.315 -2.230 -7.011 1.00 1.39 H new ATOM 0 H5'' DC A 1 -7.320 -3.206 -5.957 1.00 1.39 H new ATOM 0 H4' DC A 1 -5.206 -4.294 -6.355 1.00 1.28 H new ATOM 0 H3' DC A 1 -6.315 -4.131 -3.871 1.00 1.20 H new ATOM 0 H2' DC A 1 -5.227 -2.112 -3.152 1.00 1.06 H new ATOM 0 H2'' DC A 1 -4.139 -3.332 -2.521 1.00 1.06 H new ATOM 0 HO5' DC A 1 -5.688 -1.025 -5.022 1.00 1.32 H new ATOM 0 H1' DC A 1 -2.537 -2.971 -4.205 1.00 1.04 H new ATOM 0 H41 DC A 1 -3.047 3.601 -3.758 1.00 0.87 H new ATOM 0 H42 DC A 1 -1.377 3.171 -3.375 1.00 0.87 H new ATOM 0 H5 DC A 1 -4.719 1.958 -4.319 1.00 1.02 H new ATOM 0 H6 DC A 1 -5.177 -0.416 -4.641 1.00 1.05 H new ATOM 29 P DG A 2 -4.394 -5.927 -2.640 1.00 1.12 P ATOM 30 OP1 DG A 2 -4.465 -7.399 -2.783 1.00 1.80 O ATOM 31 OP2 DG A 2 -5.251 -5.243 -1.645 1.00 1.64 O ATOM 32 O5' DG A 2 -2.861 -5.522 -2.349 1.00 0.98 O ATOM 33 C5' DG A 2 -1.814 -6.004 -3.198 1.00 1.00 C ATOM 34 C4' DG A 2 -0.442 -5.905 -2.532 1.00 0.90 C ATOM 35 O4' DG A 2 0.016 -4.534 -2.512 1.00 0.81 O ATOM 36 C3' DG A 2 -0.500 -6.404 -1.097 1.00 0.88 C ATOM 37 O3' DG A 2 0.608 -7.277 -0.817 1.00 0.88 O ATOM 38 C2' DG A 2 -0.436 -5.158 -0.262 1.00 0.79 C ATOM 39 C1' DG A 2 0.158 -4.084 -1.152 1.00 0.73 C ATOM 40 N9 DG A 2 -0.521 -2.796 -0.955 1.00 0.67 N ATOM 41 C8 DG A 2 -1.840 -2.534 -0.868 1.00 0.71 C ATOM 42 N7 DG A 2 -2.200 -1.302 -0.726 1.00 0.66 N ATOM 43 C5 DG A 2 -0.963 -0.647 -0.713 1.00 0.57 C ATOM 44 C6 DG A 2 -0.663 0.735 -0.586 1.00 0.51 C ATOM 45 O6 DG A 2 -1.442 1.677 -0.461 1.00 0.50 O ATOM 46 N1 DG A 2 0.706 0.965 -0.623 1.00 0.49 N ATOM 47 C2 DG A 2 1.674 -0.010 -0.764 1.00 0.53 C ATOM 48 N2 DG A 2 2.939 0.407 -0.773 1.00 0.56 N ATOM 49 N3 DG A 2 1.400 -1.312 -0.884 1.00 0.57 N ATOM 50 C4 DG A 2 0.071 -1.560 -0.852 1.00 0.59 C ATOM 0 H5' DG A 2 -1.808 -5.432 -4.126 1.00 1.00 H new ATOM 0 H5'' DG A 2 -2.013 -7.042 -3.465 1.00 1.00 H new ATOM 0 H4' DG A 2 0.245 -6.522 -3.111 1.00 0.90 H new ATOM 0 H3' DG A 2 -1.399 -6.986 -0.893 1.00 0.88 H new ATOM 0 H2' DG A 2 -1.428 -4.871 0.086 1.00 0.79 H new ATOM 0 H2'' DG A 2 0.179 -5.314 0.624 1.00 0.79 H new ATOM 0 H1' DG A 2 1.208 -3.925 -0.906 1.00 0.73 H new ATOM 0 H8 DG A 2 -2.571 -3.327 -0.915 1.00 0.71 H new ATOM 0 H1 DG A 2 1.022 1.931 -0.539 1.00 0.49 H new ATOM 0 H21 DG A 2 3.698 -0.267 -0.874 1.00 0.56 H new ATOM 0 H22 DG A 2 3.149 1.401 -0.679 1.00 0.56 H new ATOM 62 P DC A 3 0.915 -7.802 0.682 1.00 0.87 P ATOM 63 OP1 DC A 3 1.418 -9.191 0.590 1.00 1.56 O ATOM 64 OP2 DC A 3 -0.257 -7.499 1.534 1.00 1.58 O ATOM 65 O5' DC A 3 2.135 -6.853 1.151 1.00 0.76 O ATOM 66 C5' DC A 3 3.435 -6.996 0.563 1.00 0.76 C ATOM 67 C4' DC A 3 4.395 -5.892 1.013 1.00 0.67 C ATOM 68 O4' DC A 3 3.823 -4.582 0.782 1.00 0.59 O ATOM 69 C3' DC A 3 4.726 -6.003 2.488 1.00 0.69 C ATOM 70 O3' DC A 3 6.143 -5.948 2.706 1.00 0.70 O ATOM 71 C2' DC A 3 4.034 -4.842 3.130 1.00 0.63 C ATOM 72 C1' DC A 3 3.764 -3.849 2.024 1.00 0.54 C ATOM 73 N1 DC A 3 2.448 -3.186 2.196 1.00 0.51 N ATOM 74 C2 DC A 3 2.413 -1.797 2.145 1.00 0.44 C ATOM 75 O2 DC A 3 3.448 -1.154 1.973 1.00 0.42 O ATOM 76 N3 DC A 3 1.210 -1.175 2.292 1.00 0.41 N ATOM 77 C4 DC A 3 0.088 -1.880 2.481 1.00 0.49 C ATOM 78 N4 DC A 3 -1.075 -1.240 2.617 1.00 0.49 N ATOM 79 C5 DC A 3 0.117 -3.307 2.536 1.00 0.58 C ATOM 80 C6 DC A 3 1.309 -3.916 2.391 1.00 0.58 C ATOM 0 H5' DC A 3 3.345 -6.977 -0.523 1.00 0.76 H new ATOM 0 H5'' DC A 3 3.849 -7.968 0.832 1.00 0.76 H new ATOM 0 H4' DC A 3 5.304 -6.017 0.425 1.00 0.67 H new ATOM 0 H3' DC A 3 4.397 -6.954 2.908 1.00 0.69 H new ATOM 0 H2' DC A 3 3.105 -5.157 3.606 1.00 0.63 H new ATOM 0 H2'' DC A 3 4.656 -4.399 3.908 1.00 0.63 H new ATOM 0 H1' DC A 3 4.506 -3.051 2.038 1.00 0.54 H new ATOM 0 H41 DC A 3 -1.935 -1.770 2.761 1.00 0.49 H new ATOM 0 H42 DC A 3 -1.104 -0.221 2.577 1.00 0.49 H new ATOM 0 H5 DC A 3 -0.787 -3.878 2.689 1.00 0.58 H new ATOM 0 H6 DC A 3 1.366 -4.994 2.429 1.00 0.58 H new ATOM 92 P DG A 4 6.751 -5.829 4.197 1.00 0.75 P ATOM 93 OP1 DG A 4 8.189 -6.176 4.139 1.00 1.83 O ATOM 94 OP2 DG A 4 5.854 -6.555 5.124 1.00 1.12 O ATOM 95 O5' DG A 4 6.623 -4.250 4.503 1.00 0.65 O ATOM 96 C5' DG A 4 7.501 -3.319 3.863 1.00 0.64 C ATOM 97 C4' DG A 4 7.562 -1.982 4.600 1.00 0.60 C ATOM 98 O4' DG A 4 6.324 -1.240 4.454 1.00 0.57 O ATOM 99 C3' DG A 4 7.793 -2.185 6.086 1.00 0.59 C ATOM 100 O3' DG A 4 8.720 -1.208 6.589 1.00 0.59 O ATOM 101 C2' DG A 4 6.425 -2.015 6.681 1.00 0.57 C ATOM 102 C1' DG A 4 5.729 -1.039 5.755 1.00 0.54 C ATOM 103 N9 DG A 4 4.273 -1.271 5.706 1.00 0.54 N ATOM 104 C8 DG A 4 3.583 -2.435 5.732 1.00 0.57 C ATOM 105 N7 DG A 4 2.296 -2.371 5.648 1.00 0.56 N ATOM 106 C5 DG A 4 2.085 -0.992 5.556 1.00 0.53 C ATOM 107 C6 DG A 4 0.872 -0.262 5.439 1.00 0.51 C ATOM 108 O6 DG A 4 -0.277 -0.694 5.392 1.00 0.53 O ATOM 109 N1 DG A 4 1.104 1.107 5.376 1.00 0.49 N ATOM 110 C2 DG A 4 2.348 1.706 5.419 1.00 0.48 C ATOM 111 N2 DG A 4 2.366 3.037 5.349 1.00 0.47 N ATOM 112 N3 DG A 4 3.493 1.026 5.528 1.00 0.49 N ATOM 113 C4 DG A 4 3.292 -0.310 5.591 1.00 0.51 C ATOM 0 H5' DG A 4 7.167 -3.152 2.839 1.00 0.64 H new ATOM 0 H5'' DG A 4 8.502 -3.747 3.806 1.00 0.64 H new ATOM 0 H4' DG A 4 8.389 -1.427 4.158 1.00 0.60 H new ATOM 0 H3' DG A 4 8.230 -3.153 6.330 1.00 0.59 H new ATOM 0 H2' DG A 4 5.892 -2.965 6.730 1.00 0.57 H new ATOM 0 H2'' DG A 4 6.480 -1.627 7.698 1.00 0.57 H new ATOM 0 H1' DG A 4 5.855 -0.015 6.106 1.00 0.54 H new ATOM 0 H8 DG A 4 4.091 -3.384 5.820 1.00 0.57 H new ATOM 0 H1 DG A 4 0.291 1.718 5.291 1.00 0.49 H new ATOM 0 H21 DG A 4 3.255 3.537 5.376 1.00 0.47 H new ATOM 0 H22 DG A 4 1.491 3.555 5.269 1.00 0.47 H new ATOM 125 P DG A 5 9.017 -1.054 8.167 1.00 0.60 P ATOM 126 OP1 DG A 5 10.471 -0.840 8.345 1.00 1.67 O ATOM 127 OP2 DG A 5 8.342 -2.161 8.883 1.00 1.14 O ATOM 128 O5' DG A 5 8.256 0.319 8.530 1.00 0.57 O ATOM 129 C5' DG A 5 8.749 1.576 8.049 1.00 0.60 C ATOM 130 C4' DG A 5 7.936 2.746 8.599 1.00 0.59 C ATOM 131 O4' DG A 5 6.558 2.667 8.159 1.00 0.56 O ATOM 132 C3' DG A 5 7.944 2.741 10.120 1.00 0.60 C ATOM 133 O3' DG A 5 8.206 4.056 10.639 1.00 0.64 O ATOM 134 C2' DG A 5 6.573 2.274 10.505 1.00 0.56 C ATOM 135 C1' DG A 5 5.688 2.530 9.301 1.00 0.54 C ATOM 136 N9 DG A 5 4.717 1.433 9.117 1.00 0.51 N ATOM 137 C8 DG A 5 4.902 0.095 9.200 1.00 0.51 C ATOM 138 N7 DG A 5 3.869 -0.664 9.039 1.00 0.50 N ATOM 139 C5 DG A 5 2.857 0.275 8.818 1.00 0.50 C ATOM 140 C6 DG A 5 1.470 0.081 8.573 1.00 0.51 C ATOM 141 O6 DG A 5 0.846 -0.977 8.497 1.00 0.53 O ATOM 142 N1 DG A 5 0.809 1.292 8.409 1.00 0.51 N ATOM 143 C2 DG A 5 1.403 2.538 8.468 1.00 0.52 C ATOM 144 N2 DG A 5 0.601 3.586 8.282 1.00 0.53 N ATOM 145 N3 DG A 5 2.705 2.727 8.696 1.00 0.52 N ATOM 146 C4 DG A 5 3.371 1.563 8.863 1.00 0.51 C ATOM 0 H5' DG A 5 8.714 1.588 6.960 1.00 0.60 H new ATOM 0 H5'' DG A 5 9.794 1.692 8.336 1.00 0.60 H new ATOM 0 H4' DG A 5 8.395 3.661 8.226 1.00 0.59 H new ATOM 0 H3' DG A 5 8.726 2.099 10.525 1.00 0.60 H new ATOM 0 H2' DG A 5 6.581 1.215 10.765 1.00 0.56 H new ATOM 0 H2'' DG A 5 6.208 2.814 11.379 1.00 0.56 H new ATOM 0 H1' DG A 5 5.100 3.438 9.437 1.00 0.54 H new ATOM 0 H8 DG A 5 5.879 -0.323 9.394 1.00 0.51 H new ATOM 0 H1 DG A 5 -0.195 1.258 8.231 1.00 0.51 H new ATOM 0 H21 DG A 5 0.982 4.532 8.314 1.00 0.53 H new ATOM 0 H22 DG A 5 -0.394 3.442 8.108 1.00 0.53 H new ATOM 158 P DT A 6 8.205 4.346 12.230 1.00 0.68 P ATOM 159 OP1 DT A 6 9.305 5.291 12.528 1.00 1.41 O ATOM 160 OP2 DT A 6 8.137 3.049 12.943 1.00 1.50 O ATOM 161 O5' DT A 6 6.805 5.115 12.455 1.00 0.66 O ATOM 162 C5' DT A 6 6.573 6.394 11.853 1.00 0.70 C ATOM 163 C4' DT A 6 5.081 6.698 11.712 1.00 0.68 C ATOM 164 O4' DT A 6 4.388 5.570 11.133 1.00 0.64 O ATOM 165 C3' DT A 6 4.439 7.004 13.062 1.00 0.68 C ATOM 166 O3' DT A 6 3.756 8.270 13.012 1.00 0.71 O ATOM 167 C2' DT A 6 3.480 5.871 13.314 1.00 0.65 C ATOM 168 C1' DT A 6 3.286 5.183 11.979 1.00 0.61 C ATOM 169 N1 DT A 6 3.218 3.715 12.131 1.00 0.58 N ATOM 170 C2 DT A 6 2.094 3.087 11.634 1.00 0.55 C ATOM 171 O2 DT A 6 1.163 3.712 11.127 1.00 0.56 O ATOM 172 N3 DT A 6 2.066 1.713 11.752 1.00 0.53 N ATOM 173 C4 DT A 6 3.048 0.920 12.314 1.00 0.53 C ATOM 174 O4 DT A 6 2.920 -0.304 12.344 1.00 0.52 O ATOM 175 C5 DT A 6 4.184 1.661 12.815 1.00 0.55 C ATOM 176 C7 DT A 6 5.338 0.911 13.477 1.00 0.56 C ATOM 177 C6 DT A 6 4.237 3.006 12.713 1.00 0.58 C ATOM 0 H5' DT A 6 7.043 6.423 10.870 1.00 0.70 H new ATOM 0 H5'' DT A 6 7.046 7.170 12.456 1.00 0.70 H new ATOM 0 H4' DT A 6 4.996 7.572 11.066 1.00 0.68 H new ATOM 0 H3' DT A 6 5.174 7.082 13.863 1.00 0.68 H new ATOM 0 H2' DT A 6 3.880 5.179 14.055 1.00 0.65 H new ATOM 0 H2'' DT A 6 2.532 6.242 13.703 1.00 0.65 H new ATOM 0 H1' DT A 6 2.339 5.486 11.534 1.00 0.61 H new ATOM 0 H3 DT A 6 1.240 1.236 11.389 1.00 0.53 H new ATOM 0 H71 DT A 6 6.267 1.457 13.315 1.00 0.56 H new ATOM 0 H72 DT A 6 5.150 0.825 14.547 1.00 0.56 H new ATOM 0 H73 DT A 6 5.422 -0.085 13.042 1.00 0.56 H new ATOM 0 H6 DT A 6 5.098 3.533 13.097 1.00 0.58 H new HETATM 190 P P A 7 2.596 8.652 14.068 1.00 0.70 P HETATM 191 OP1 P A 7 2.157 10.039 13.790 1.00 1.07 O HETATM 192 OP2 P A 7 3.063 8.287 15.425 1.00 1.78 O HETATM 193 O5' P A 7 1.400 7.646 13.656 1.00 0.68 O HETATM 194 C5' P A 7 0.147 8.145 13.170 1.00 0.69 C HETATM 195 C4' P A 7 -0.986 7.885 14.162 1.00 0.66 C HETATM 196 O4' P A 7 -1.303 6.471 14.238 1.00 0.64 O HETATM 197 C3' P A 7 -0.590 8.351 15.554 1.00 0.64 C HETATM 198 O3' P A 7 -1.617 9.182 16.117 1.00 0.66 O HETATM 199 C2' P A 7 -0.396 7.083 16.346 1.00 0.61 C HETATM 200 C1' P A 7 -1.138 5.998 15.593 1.00 0.60 C HETATM 201 N9 P A 7 -0.417 4.706 15.615 1.00 0.59 N HETATM 202 C8 P A 7 -0.892 3.465 15.368 1.00 0.58 C HETATM 203 N7 P A 7 -0.057 2.480 15.416 1.00 0.58 N HETATM 204 C5 P A 7 1.139 3.141 15.742 1.00 0.58 C HETATM 205 C6 P A 7 2.442 2.606 15.938 1.00 0.58 C HETATM 206 O6 P A 7 2.781 1.429 15.854 1.00 0.59 O HETATM 207 N1 P A 7 3.394 3.575 16.256 1.00 0.60 N HETATM 208 C2 P A 7 3.045 5.017 16.368 1.00 0.61 C HETATM 209 N2 P A 7 4.049 5.922 16.696 1.00 0.65 N HETATM 210 N3 P A 7 1.808 5.466 16.168 1.00 0.61 N HETATM 211 C4 P A 7 0.921 4.503 15.866 1.00 0.59 C HETATM 212 C6A P A 7 5.446 5.492 16.930 1.00 0.68 C HETATM 213 C7A P A 7 5.478 4.068 17.465 1.00 0.66 C HETATM 214 C8A P A 7 4.786 3.151 16.496 1.00 0.61 C HETATM 0 H8A2 P A 7 4.796 2.133 16.885 1.00 0.61 H new HETATM 0 H8A1 P A 7 5.332 3.137 15.553 1.00 0.61 H new HETATM 0 H7A2 P A 7 6.509 3.747 17.612 1.00 0.66 H new HETATM 0 H7A1 P A 7 4.988 4.023 18.438 1.00 0.66 H new HETATM 0 H6A2 P A 7 6.012 5.551 16.001 1.00 0.68 H new HETATM 0 H6A1 P A 7 5.927 6.165 17.640 1.00 0.68 H new HETATM 0 H5'' P A 7 0.229 9.216 12.983 1.00 0.69 H new HETATM 0 H2'' P A 7 0.662 6.839 16.438 1.00 0.61 H new HETATM 0 H8 P A 7 -1.944 3.301 15.136 1.00 0.58 H new HETATM 0 H5' P A 7 -0.088 7.672 12.216 1.00 0.69 H new HETATM 0 H4' P A 7 -1.856 8.438 13.808 1.00 0.66 H new HETATM 0 H3' P A 7 0.315 8.959 15.552 1.00 0.64 H new HETATM 0 H2' P A 7 -0.787 7.192 17.358 1.00 0.61 H new HETATM 0 H2 P A 7 3.816 6.912 16.778 1.00 0.65 H new HETATM 0 H1' P A 7 -2.100 5.808 16.068 1.00 0.60 H new ATOM 230 P DT A 8 -1.637 9.551 17.687 1.00 0.67 P ATOM 231 OP1 DT A 8 -2.447 10.777 17.865 1.00 1.63 O ATOM 232 OP2 DT A 8 -0.249 9.501 18.199 1.00 1.26 O ATOM 233 O5' DT A 8 -2.451 8.313 18.315 1.00 0.68 O ATOM 234 C5' DT A 8 -3.742 7.963 17.804 1.00 0.69 C ATOM 235 C4' DT A 8 -4.249 6.653 18.401 1.00 0.67 C ATOM 236 O4' DT A 8 -3.352 5.562 18.081 1.00 0.66 O ATOM 237 C3' DT A 8 -4.350 6.754 19.917 1.00 0.67 C ATOM 238 O3' DT A 8 -5.665 6.378 20.356 1.00 0.70 O ATOM 239 C2' DT A 8 -3.298 5.815 20.447 1.00 0.65 C ATOM 240 C1' DT A 8 -2.928 4.902 19.292 1.00 0.64 C ATOM 241 N1 DT A 8 -1.473 4.619 19.263 1.00 0.64 N ATOM 242 C2 DT A 8 -1.080 3.313 19.025 1.00 0.63 C ATOM 243 O2 DT A 8 -1.888 2.407 18.832 1.00 0.64 O ATOM 244 N3 DT A 8 0.281 3.082 19.015 1.00 0.64 N ATOM 245 C4 DT A 8 1.271 4.023 19.217 1.00 0.64 C ATOM 246 O4 DT A 8 2.457 3.698 19.179 1.00 0.65 O ATOM 247 C5 DT A 8 0.772 5.358 19.459 1.00 0.65 C ATOM 248 C7 DT A 8 1.760 6.493 19.714 1.00 0.69 C ATOM 249 C6 DT A 8 -0.554 5.612 19.473 1.00 0.65 C ATOM 0 H5' DT A 8 -3.692 7.873 16.719 1.00 0.69 H new ATOM 0 H5'' DT A 8 -4.450 8.762 18.025 1.00 0.69 H new ATOM 0 H4' DT A 8 -5.234 6.462 17.974 1.00 0.67 H new ATOM 0 H3' DT A 8 -4.189 7.770 20.278 1.00 0.67 H new ATOM 0 H2' DT A 8 -2.427 6.366 20.803 1.00 0.65 H new ATOM 0 H2'' DT A 8 -3.678 5.240 21.292 1.00 0.65 H new ATOM 0 H1' DT A 8 -3.422 3.936 19.401 1.00 0.64 H new ATOM 0 H3 DT A 8 0.585 2.124 18.842 1.00 0.64 H new ATOM 0 H71 DT A 8 1.336 7.432 19.358 1.00 0.69 H new ATOM 0 H72 DT A 8 1.960 6.568 20.783 1.00 0.69 H new ATOM 0 H73 DT A 8 2.691 6.291 19.184 1.00 0.69 H new ATOM 0 H6 DT A 8 -0.897 6.620 19.654 1.00 0.65 H new ATOM 262 P DC A 9 -6.018 6.178 21.919 1.00 0.67 P ATOM 263 OP1 DC A 9 -7.343 6.787 22.175 1.00 1.38 O ATOM 264 OP2 DC A 9 -4.848 6.595 22.725 1.00 1.58 O ATOM 265 O5' DC A 9 -6.167 4.578 22.038 1.00 0.71 O ATOM 266 C5' DC A 9 -7.143 3.881 21.255 1.00 0.77 C ATOM 267 C4' DC A 9 -6.907 2.372 21.264 1.00 0.72 C ATOM 268 O4' DC A 9 -5.578 2.052 20.790 1.00 0.69 O ATOM 269 C3' DC A 9 -7.070 1.794 22.653 1.00 0.67 C ATOM 270 O3' DC A 9 -7.923 0.640 22.631 1.00 0.69 O ATOM 271 C2' DC A 9 -5.682 1.426 23.077 1.00 0.60 C ATOM 272 C1' DC A 9 -4.850 1.352 21.817 1.00 0.61 C ATOM 273 N1 DC A 9 -3.504 1.939 22.018 1.00 0.58 N ATOM 274 C2 DC A 9 -2.411 1.170 21.642 1.00 0.59 C ATOM 275 O2 DC A 9 -2.577 0.043 21.177 1.00 0.62 O ATOM 276 N3 DC A 9 -1.165 1.693 21.809 1.00 0.60 N ATOM 277 C4 DC A 9 -0.993 2.917 22.323 1.00 0.57 C ATOM 278 N4 DC A 9 0.242 3.397 22.469 1.00 0.59 N ATOM 279 C5 DC A 9 -2.114 3.713 22.713 1.00 0.56 C ATOM 280 C6 DC A 9 -3.345 3.190 22.545 1.00 0.57 C ATOM 0 H5' DC A 9 -7.114 4.247 20.229 1.00 0.77 H new ATOM 0 H5'' DC A 9 -8.139 4.095 21.642 1.00 0.77 H new ATOM 0 H4' DC A 9 -7.653 1.935 20.600 1.00 0.72 H new ATOM 0 H3' DC A 9 -7.536 2.500 23.340 1.00 0.67 H new ATOM 0 H2' DC A 9 -5.278 2.168 23.765 1.00 0.60 H new ATOM 0 H2'' DC A 9 -5.678 0.470 23.601 1.00 0.60 H new ATOM 0 H1' DC A 9 -4.685 0.313 21.531 1.00 0.61 H new ATOM 0 H41 DC A 9 0.384 4.328 22.860 1.00 0.59 H new ATOM 0 H42 DC A 9 1.045 2.833 22.190 1.00 0.59 H new ATOM 0 H5 DC A 9 -1.979 4.701 23.129 1.00 0.56 H new ATOM 0 H6 DC A 9 -4.214 3.765 22.830 1.00 0.57 H new ATOM 292 P DC A 10 -8.262 -0.172 23.984 1.00 0.68 P ATOM 293 OP1 DC A 10 -9.621 -0.743 23.852 1.00 1.63 O ATOM 294 OP2 DC A 10 -7.937 0.693 25.141 1.00 1.26 O ATOM 295 O5' DC A 10 -7.198 -1.383 23.949 1.00 0.65 O ATOM 296 C5' DC A 10 -7.375 -2.479 23.045 1.00 0.72 C ATOM 297 C4' DC A 10 -6.384 -3.612 23.315 1.00 0.70 C ATOM 298 O4' DC A 10 -5.017 -3.155 23.170 1.00 0.66 O ATOM 299 C3' DC A 10 -6.540 -4.158 24.729 1.00 0.67 C ATOM 300 O3' DC A 10 -6.524 -5.594 24.739 1.00 0.72 O ATOM 301 C2' DC A 10 -5.369 -3.606 25.484 1.00 0.60 C ATOM 302 C1' DC A 10 -4.329 -3.251 24.438 1.00 0.60 C ATOM 303 N1 DC A 10 -3.631 -1.988 24.769 1.00 0.54 N ATOM 304 C2 DC A 10 -2.246 -1.975 24.661 1.00 0.52 C ATOM 305 O2 DC A 10 -1.640 -2.994 24.330 1.00 0.55 O ATOM 306 N3 DC A 10 -1.588 -0.817 24.941 1.00 0.48 N ATOM 307 C4 DC A 10 -2.254 0.282 25.314 1.00 0.46 C ATOM 308 N4 DC A 10 -1.577 1.401 25.575 1.00 0.45 N ATOM 309 C5 DC A 10 -3.680 0.273 25.432 1.00 0.48 C ATOM 310 C6 DC A 10 -4.325 -0.876 25.152 1.00 0.52 C ATOM 0 H5' DC A 10 -7.253 -2.127 22.021 1.00 0.72 H new ATOM 0 H5'' DC A 10 -8.393 -2.860 23.132 1.00 0.72 H new ATOM 0 H4' DC A 10 -6.600 -4.393 22.586 1.00 0.70 H new ATOM 0 H3' DC A 10 -7.492 -3.867 25.173 1.00 0.67 H new ATOM 0 H2' DC A 10 -5.656 -2.728 26.063 1.00 0.60 H new ATOM 0 H2'' DC A 10 -4.979 -4.339 26.190 1.00 0.60 H new ATOM 0 H1' DC A 10 -3.556 -4.019 24.398 1.00 0.60 H new ATOM 0 H41 DC A 10 -2.076 2.244 25.860 1.00 0.45 H new ATOM 0 H42 DC A 10 -0.561 1.414 25.490 1.00 0.45 H new ATOM 0 H5 DC A 10 -4.221 1.157 25.735 1.00 0.48 H new ATOM 0 H6 DC A 10 -5.401 -0.918 25.231 1.00 0.52 H new ATOM 322 P DG A 11 -6.552 -6.419 26.129 1.00 0.73 P ATOM 323 OP1 DG A 11 -7.067 -7.778 25.849 1.00 1.56 O ATOM 324 OP2 DG A 11 -7.212 -5.580 27.155 1.00 1.42 O ATOM 325 O5' DG A 11 -4.987 -6.540 26.510 1.00 0.67 O ATOM 326 C5' DG A 11 -4.090 -7.257 25.655 1.00 0.72 C ATOM 327 C4' DG A 11 -2.792 -7.655 26.364 1.00 0.75 C ATOM 328 O4' DG A 11 -1.902 -6.521 26.475 1.00 0.65 O ATOM 329 C3' DG A 11 -3.066 -8.168 27.765 1.00 0.78 C ATOM 330 O3' DG A 11 -2.249 -9.323 28.043 1.00 0.92 O ATOM 331 C2' DG A 11 -2.717 -7.010 28.658 1.00 0.70 C ATOM 332 C1' DG A 11 -1.746 -6.154 27.862 1.00 0.61 C ATOM 333 N9 DG A 11 -2.011 -4.720 28.052 1.00 0.50 N ATOM 334 C8 DG A 11 -3.190 -4.077 28.171 1.00 0.47 C ATOM 335 N7 DG A 11 -3.165 -2.791 28.292 1.00 0.42 N ATOM 336 C5 DG A 11 -1.791 -2.531 28.252 1.00 0.38 C ATOM 337 C6 DG A 11 -1.094 -1.296 28.337 1.00 0.35 C ATOM 338 O6 DG A 11 -1.559 -0.164 28.456 1.00 0.39 O ATOM 339 N1 DG A 11 0.281 -1.480 28.257 1.00 0.35 N ATOM 340 C2 DG A 11 0.913 -2.700 28.112 1.00 0.39 C ATOM 341 N2 DG A 11 2.245 -2.675 28.061 1.00 0.43 N ATOM 342 N3 DG A 11 0.264 -3.865 28.031 1.00 0.45 N ATOM 343 C4 DG A 11 -1.077 -3.710 28.107 1.00 0.43 C ATOM 0 H5' DG A 11 -3.852 -6.642 24.787 1.00 0.72 H new ATOM 0 H5'' DG A 11 -4.586 -8.154 25.284 1.00 0.72 H new ATOM 0 H4' DG A 11 -2.332 -8.441 25.765 1.00 0.75 H new ATOM 0 H3' DG A 11 -4.097 -8.492 27.909 1.00 0.78 H new ATOM 0 H2' DG A 11 -3.607 -6.443 28.929 1.00 0.70 H new ATOM 0 H2'' DG A 11 -2.264 -7.355 29.587 1.00 0.70 H new ATOM 0 H1' DG A 11 -0.725 -6.327 28.201 1.00 0.61 H new ATOM 0 H8 DG A 11 -4.124 -4.619 28.165 1.00 0.47 H new ATOM 0 H1 DG A 11 0.870 -0.649 28.309 1.00 0.35 H new ATOM 0 H21 DG A 11 2.768 -3.544 27.955 1.00 0.43 H new ATOM 0 H22 DG A 11 2.741 -1.786 28.128 1.00 0.43 H new ATOM 355 P DC A 12 -1.936 -9.819 29.551 1.00 1.02 P ATOM 356 OP1 DC A 12 -1.860 -11.297 29.543 1.00 1.96 O ATOM 357 OP2 DC A 12 -2.871 -9.137 30.476 1.00 1.32 O ATOM 358 O5' DC A 12 -0.451 -9.240 29.817 1.00 0.99 O ATOM 359 C5' DC A 12 0.667 -9.751 29.080 1.00 1.05 C ATOM 360 C4' DC A 12 1.995 -9.130 29.524 1.00 1.04 C ATOM 361 O4' DC A 12 1.968 -7.685 29.409 1.00 0.88 O ATOM 362 C3' DC A 12 2.322 -9.467 30.971 1.00 1.13 C ATOM 363 O3' DC A 12 3.703 -9.838 31.107 1.00 1.22 O ATOM 364 C2' DC A 12 2.011 -8.212 31.740 1.00 1.03 C ATOM 365 C1' DC A 12 2.050 -7.082 30.724 1.00 0.87 C ATOM 366 N1 DC A 12 0.949 -6.112 30.940 1.00 0.76 N ATOM 367 C2 DC A 12 1.279 -4.762 30.992 1.00 0.65 C ATOM 368 O2 DC A 12 2.448 -4.402 30.860 1.00 0.63 O ATOM 369 N3 DC A 12 0.279 -3.860 31.191 1.00 0.59 N ATOM 370 C4 DC A 12 -0.991 -4.259 31.332 1.00 0.63 C ATOM 371 N4 DC A 12 -1.947 -3.350 31.523 1.00 0.62 N ATOM 372 C5 DC A 12 -1.335 -5.644 31.279 1.00 0.73 C ATOM 373 C6 DC A 12 -0.343 -6.530 31.082 1.00 0.79 C ATOM 0 H5' DC A 12 0.517 -9.558 28.018 1.00 1.05 H new ATOM 0 H5'' DC A 12 0.716 -10.833 29.204 1.00 1.05 H new ATOM 0 H4' DC A 12 2.755 -9.549 28.864 1.00 1.04 H new ATOM 0 H3' DC A 12 1.747 -10.317 31.339 1.00 1.13 H new ATOM 0 H2' DC A 12 1.032 -8.277 32.215 1.00 1.03 H new ATOM 0 H2'' DC A 12 2.740 -8.049 32.534 1.00 1.03 H new ATOM 0 H1' DC A 12 2.975 -6.515 30.829 1.00 0.87 H new ATOM 0 H41 DC A 12 -2.917 -3.645 31.631 1.00 0.62 H new ATOM 0 H42 DC A 12 -1.708 -2.359 31.561 1.00 0.62 H new ATOM 0 H5 DC A 12 -2.359 -5.969 31.393 1.00 0.73 H new ATOM 0 H6 DC A 12 -0.571 -7.585 31.036 1.00 0.79 H new ATOM 385 P DG A 13 4.390 -9.997 32.560 1.00 1.33 P ATOM 386 OP1 DG A 13 5.542 -10.917 32.428 1.00 1.45 O ATOM 387 OP2 DG A 13 3.328 -10.282 33.551 1.00 2.28 O ATOM 388 O5' DG A 13 4.957 -8.514 32.842 1.00 1.21 O ATOM 389 C5' DG A 13 6.029 -7.988 32.051 1.00 1.16 C ATOM 390 C4' DG A 13 6.733 -6.818 32.739 1.00 1.12 C ATOM 391 O4' DG A 13 5.854 -5.680 32.888 1.00 0.99 O ATOM 392 C3' DG A 13 7.205 -7.191 34.127 1.00 1.27 C ATOM 393 O3' DG A 13 8.423 -6.512 34.453 1.00 1.30 O ATOM 394 C2' DG A 13 6.088 -6.741 35.014 1.00 1.26 C ATOM 395 C1' DG A 13 5.448 -5.571 34.274 1.00 1.07 C ATOM 396 N9 DG A 13 3.970 -5.557 34.396 1.00 1.04 N ATOM 397 C8 DG A 13 3.082 -6.579 34.532 1.00 1.12 C ATOM 398 N7 DG A 13 1.827 -6.279 34.576 1.00 1.09 N ATOM 399 C5 DG A 13 1.860 -4.888 34.461 1.00 0.98 C ATOM 400 C6 DG A 13 0.792 -3.951 34.444 1.00 0.93 C ATOM 401 O6 DG A 13 -0.415 -4.170 34.512 1.00 0.97 O ATOM 402 N1 DG A 13 1.258 -2.649 34.318 1.00 0.85 N ATOM 403 C2 DG A 13 2.586 -2.286 34.216 1.00 0.81 C ATOM 404 N2 DG A 13 2.835 -0.980 34.112 1.00 0.77 N ATOM 405 N3 DG A 13 3.596 -3.161 34.227 1.00 0.86 N ATOM 406 C4 DG A 13 3.167 -4.438 34.352 1.00 0.94 C ATOM 0 H5' DG A 13 5.640 -7.660 31.087 1.00 1.16 H new ATOM 0 H5'' DG A 13 6.752 -8.778 31.851 1.00 1.16 H new ATOM 0 H4' DG A 13 7.580 -6.567 32.100 1.00 1.12 H new ATOM 0 H3' DG A 13 7.422 -8.254 34.228 1.00 1.27 H new ATOM 0 H2' DG A 13 5.369 -7.543 35.182 1.00 1.26 H new ATOM 0 H2'' DG A 13 6.459 -6.435 35.992 1.00 1.26 H new ATOM 0 HO3' DG A 13 8.708 -6.767 35.355 1.00 1.30 H new ATOM 0 H1' DG A 13 5.783 -4.631 34.713 1.00 1.07 H new ATOM 0 H8 DG A 13 3.415 -7.604 34.601 1.00 1.12 H new ATOM 0 H1 DG A 13 0.564 -1.902 34.299 1.00 0.85 H new ATOM 0 H21 DG A 13 3.797 -0.649 34.033 1.00 0.77 H new ATOM 0 H22 DG A 13 2.064 -0.312 34.111 1.00 0.77 H new TER 419 DG A 13 ATOM 420 O5' DC B 14 -3.703 3.436 37.509 1.00 1.49 O ATOM 421 C5' DC B 14 -2.828 4.139 38.396 1.00 1.56 C ATOM 422 C4' DC B 14 -1.431 4.302 37.798 1.00 1.43 C ATOM 423 O4' DC B 14 -0.836 3.011 37.496 1.00 1.32 O ATOM 424 C3' DC B 14 -1.476 5.074 36.497 1.00 1.34 C ATOM 425 O3' DC B 14 -0.299 5.882 36.337 1.00 1.32 O ATOM 426 C2' DC B 14 -1.547 3.988 35.478 1.00 1.19 C ATOM 427 C1' DC B 14 -0.727 2.868 36.059 1.00 1.16 C ATOM 428 N1 DC B 14 -1.213 1.542 35.613 1.00 1.09 N ATOM 429 C2 DC B 14 -0.288 0.672 35.049 1.00 0.96 C ATOM 430 O2 DC B 14 0.888 1.012 34.922 1.00 0.91 O ATOM 431 N3 DC B 14 -0.717 -0.555 34.647 1.00 0.92 N ATOM 432 C4 DC B 14 -1.998 -0.918 34.788 1.00 1.01 C ATOM 433 N4 DC B 14 -2.381 -2.131 34.388 1.00 0.99 N ATOM 434 C5 DC B 14 -2.956 -0.026 35.365 1.00 1.13 C ATOM 435 C6 DC B 14 -2.524 1.186 35.762 1.00 1.17 C ATOM 0 H5' DC B 14 -2.759 3.601 39.342 1.00 1.56 H new ATOM 0 H5'' DC B 14 -3.246 5.121 38.618 1.00 1.56 H new ATOM 0 H4' DC B 14 -0.842 4.837 38.543 1.00 1.43 H new ATOM 0 H3' DC B 14 -2.308 5.775 36.430 1.00 1.34 H new ATOM 0 H2' DC B 14 -2.576 3.676 35.302 1.00 1.19 H new ATOM 0 H2'' DC B 14 -1.146 4.317 34.519 1.00 1.19 H new ATOM 0 HO5' DC B 14 -4.587 3.348 37.923 1.00 1.49 H new ATOM 0 H1' DC B 14 0.309 2.925 35.726 1.00 1.16 H new ATOM 0 H41 DC B 14 -3.354 -2.418 34.491 1.00 0.99 H new ATOM 0 H42 DC B 14 -1.701 -2.772 33.979 1.00 0.99 H new ATOM 0 H5 DC B 14 -3.990 -0.315 35.478 1.00 1.13 H new ATOM 0 H6 DC B 14 -3.221 1.884 36.203 1.00 1.17 H new ATOM 448 P DG B 15 0.035 6.620 34.940 1.00 1.24 P ATOM 449 OP1 DG B 15 0.583 7.960 35.245 1.00 1.86 O ATOM 450 OP2 DG B 15 -1.139 6.491 34.047 1.00 1.76 O ATOM 451 O5' DG B 15 1.225 5.713 34.341 1.00 1.07 O ATOM 452 C5' DG B 15 2.487 5.638 35.014 1.00 1.08 C ATOM 453 C4' DG B 15 3.590 5.102 34.103 1.00 0.94 C ATOM 454 O4' DG B 15 3.388 3.697 33.828 1.00 0.82 O ATOM 455 C3' DG B 15 3.596 5.840 32.775 1.00 0.92 C ATOM 456 O3' DG B 15 4.947 6.155 32.382 1.00 0.92 O ATOM 457 C2' DG B 15 2.940 4.888 31.814 1.00 0.80 C ATOM 458 C1' DG B 15 3.073 3.508 32.433 1.00 0.72 C ATOM 459 N9 DG B 15 1.826 2.742 32.282 1.00 0.69 N ATOM 460 C8 DG B 15 0.552 3.136 32.494 1.00 0.76 C ATOM 461 N7 DG B 15 -0.384 2.267 32.311 1.00 0.74 N ATOM 462 C5 DG B 15 0.349 1.140 31.925 1.00 0.62 C ATOM 463 C6 DG B 15 -0.100 -0.161 31.580 1.00 0.57 C ATOM 464 O6 DG B 15 -1.252 -0.585 31.546 1.00 0.61 O ATOM 465 N1 DG B 15 0.961 -0.997 31.256 1.00 0.50 N ATOM 466 C2 DG B 15 2.292 -0.631 31.260 1.00 0.47 C ATOM 467 N2 DG B 15 3.166 -1.578 30.919 1.00 0.46 N ATOM 468 N3 DG B 15 2.722 0.592 31.582 1.00 0.52 N ATOM 469 C4 DG B 15 1.705 1.424 31.904 1.00 0.59 C ATOM 0 H5' DG B 15 2.394 4.994 35.888 1.00 1.08 H new ATOM 0 H5'' DG B 15 2.765 6.628 35.376 1.00 1.08 H new ATOM 0 H4' DG B 15 4.538 5.251 34.620 1.00 0.94 H new ATOM 0 H3' DG B 15 3.070 6.794 32.815 1.00 0.92 H new ATOM 0 H2' DG B 15 1.892 5.148 31.662 1.00 0.80 H new ATOM 0 H2'' DG B 15 3.423 4.925 30.837 1.00 0.80 H new ATOM 0 H1' DG B 15 3.857 2.940 31.933 1.00 0.72 H new ATOM 0 H8 DG B 15 0.324 4.144 32.806 1.00 0.76 H new ATOM 0 H1 DG B 15 0.739 -1.958 30.994 1.00 0.50 H new ATOM 0 H21 DG B 15 4.164 -1.369 30.903 1.00 0.46 H new ATOM 0 H22 DG B 15 2.836 -2.512 30.674 1.00 0.46 H new ATOM 481 P DC B 16 5.354 6.431 30.841 1.00 0.90 P ATOM 482 OP1 DC B 16 6.576 7.267 30.829 1.00 1.56 O ATOM 483 OP2 DC B 16 4.148 6.880 30.110 1.00 1.64 O ATOM 484 O5' DC B 16 5.746 4.957 30.313 1.00 0.77 O ATOM 485 C5' DC B 16 6.804 4.225 30.941 1.00 0.75 C ATOM 486 C4' DC B 16 7.064 2.879 30.263 1.00 0.64 C ATOM 487 O4' DC B 16 5.871 2.054 30.247 1.00 0.56 O ATOM 488 C3' DC B 16 7.515 3.055 28.818 1.00 0.67 C ATOM 489 O3' DC B 16 8.611 2.175 28.515 1.00 0.66 O ATOM 490 C2' DC B 16 6.298 2.718 28.003 1.00 0.62 C ATOM 491 C1' DC B 16 5.480 1.789 28.880 1.00 0.52 C ATOM 492 N1 DC B 16 4.021 1.978 28.688 1.00 0.50 N ATOM 493 C2 DC B 16 3.255 0.839 28.471 1.00 0.43 C ATOM 494 O2 DC B 16 3.791 -0.266 28.408 1.00 0.39 O ATOM 495 N3 DC B 16 1.910 0.983 28.324 1.00 0.42 N ATOM 496 C4 DC B 16 1.335 2.190 28.386 1.00 0.50 C ATOM 497 N4 DC B 16 0.012 2.291 28.248 1.00 0.52 N ATOM 498 C5 DC B 16 2.117 3.366 28.604 1.00 0.59 C ATOM 499 C6 DC B 16 3.448 3.217 28.749 1.00 0.59 C ATOM 0 H5' DC B 16 6.555 4.059 31.989 1.00 0.75 H new ATOM 0 H5'' DC B 16 7.716 4.821 30.921 1.00 0.75 H new ATOM 0 H4' DC B 16 7.850 2.397 30.845 1.00 0.64 H new ATOM 0 H3' DC B 16 7.878 4.062 28.612 1.00 0.67 H new ATOM 0 H2' DC B 16 5.735 3.615 27.746 1.00 0.62 H new ATOM 0 H2'' DC B 16 6.573 2.235 27.065 1.00 0.62 H new ATOM 0 H1' DC B 16 5.676 0.751 28.613 1.00 0.52 H new ATOM 0 H41 DC B 16 -0.437 3.206 28.293 1.00 0.52 H new ATOM 0 H42 DC B 16 -0.550 1.454 28.097 1.00 0.52 H new ATOM 0 H5 DC B 16 1.656 4.342 28.651 1.00 0.59 H new ATOM 0 H6 DC B 16 4.068 4.085 28.915 1.00 0.59 H new ATOM 511 P DG B 17 9.111 1.932 26.997 1.00 0.72 P ATOM 512 OP1 DG B 17 10.579 1.743 27.019 1.00 1.46 O ATOM 513 OP2 DG B 17 8.517 2.978 26.133 1.00 1.55 O ATOM 514 O5' DG B 17 8.427 0.519 26.621 1.00 0.62 O ATOM 515 C5' DG B 17 8.739 -0.655 27.378 1.00 0.59 C ATOM 516 C4' DG B 17 8.261 -1.937 26.692 1.00 0.57 C ATOM 517 O4' DG B 17 6.813 -2.001 26.656 1.00 0.53 O ATOM 518 C3' DG B 17 8.745 -2.007 25.253 1.00 0.62 C ATOM 519 O3' DG B 17 9.104 -3.352 24.895 1.00 0.64 O ATOM 520 C2' DG B 17 7.570 -1.520 24.457 1.00 0.61 C ATOM 521 C1' DG B 17 6.352 -1.877 25.289 1.00 0.55 C ATOM 522 N9 DG B 17 5.315 -0.834 25.187 1.00 0.54 N ATOM 523 C8 DG B 17 5.454 0.511 25.185 1.00 0.57 C ATOM 524 N7 DG B 17 4.381 1.226 25.125 1.00 0.56 N ATOM 525 C5 DG B 17 3.388 0.244 25.078 1.00 0.52 C ATOM 526 C6 DG B 17 1.977 0.382 25.004 1.00 0.50 C ATOM 527 O6 DG B 17 1.311 1.415 24.975 1.00 0.50 O ATOM 528 N1 DG B 17 1.346 -0.855 24.975 1.00 0.49 N ATOM 529 C2 DG B 17 1.987 -2.077 25.013 1.00 0.51 C ATOM 530 N2 DG B 17 1.205 -3.156 24.967 1.00 0.53 N ATOM 531 N3 DG B 17 3.315 -2.216 25.085 1.00 0.52 N ATOM 532 C4 DG B 17 3.952 -1.023 25.114 1.00 0.52 C ATOM 0 H5' DG B 17 8.280 -0.581 28.364 1.00 0.59 H new ATOM 0 H5'' DG B 17 9.817 -0.709 27.532 1.00 0.59 H new ATOM 0 H4' DG B 17 8.669 -2.765 27.272 1.00 0.57 H new ATOM 0 H3' DG B 17 9.641 -1.412 25.077 1.00 0.62 H new ATOM 0 H2' DG B 17 7.629 -0.445 24.285 1.00 0.61 H new ATOM 0 H2'' DG B 17 7.532 -1.998 23.478 1.00 0.61 H new ATOM 0 H1' DG B 17 5.900 -2.804 24.936 1.00 0.55 H new ATOM 0 H8 DG B 17 6.430 0.971 25.232 1.00 0.57 H new ATOM 0 H1 DG B 17 0.327 -0.861 24.921 1.00 0.49 H new ATOM 0 H21 DG B 17 1.619 -4.088 24.992 1.00 0.53 H new ATOM 0 H22 DG B 17 0.192 -3.050 24.907 1.00 0.53 H new ATOM 544 P DG B 18 9.350 -3.773 23.356 1.00 0.69 P ATOM 545 OP1 DG B 18 10.201 -4.984 23.338 1.00 1.17 O ATOM 546 OP2 DG B 18 9.768 -2.568 22.603 1.00 1.73 O ATOM 547 O5' DG B 18 7.871 -4.186 22.865 1.00 0.66 O ATOM 548 C5' DG B 18 7.237 -5.355 23.394 1.00 0.68 C ATOM 549 C4' DG B 18 5.864 -5.601 22.772 1.00 0.68 C ATOM 550 O4' DG B 18 4.960 -4.511 23.061 1.00 0.67 O ATOM 551 C3' DG B 18 5.961 -5.746 21.257 1.00 0.68 C ATOM 552 O3' DG B 18 5.505 -7.046 20.847 1.00 0.72 O ATOM 553 C2' DG B 18 5.088 -4.652 20.691 1.00 0.65 C ATOM 554 C1' DG B 18 4.287 -4.104 21.853 1.00 0.64 C ATOM 555 N9 DG B 18 4.167 -2.636 21.783 1.00 0.62 N ATOM 556 C8 DG B 18 5.132 -1.687 21.719 1.00 0.62 C ATOM 557 N7 DG B 18 4.755 -0.452 21.689 1.00 0.60 N ATOM 558 C5 DG B 18 3.364 -0.578 21.738 1.00 0.59 C ATOM 559 C6 DG B 18 2.358 0.424 21.737 1.00 0.58 C ATOM 560 O6 DG B 18 2.497 1.645 21.697 1.00 0.58 O ATOM 561 N1 DG B 18 1.086 -0.132 21.795 1.00 0.58 N ATOM 562 C2 DG B 18 0.810 -1.484 21.848 1.00 0.59 C ATOM 563 N2 DG B 18 -0.477 -1.826 21.895 1.00 0.60 N ATOM 564 N3 DG B 18 1.750 -2.430 21.852 1.00 0.60 N ATOM 565 C4 DG B 18 2.997 -1.913 21.795 1.00 0.60 C ATOM 0 H5' DG B 18 7.131 -5.251 24.474 1.00 0.68 H new ATOM 0 H5'' DG B 18 7.874 -6.222 23.218 1.00 0.68 H new ATOM 0 H4' DG B 18 5.484 -6.525 23.207 1.00 0.68 H new ATOM 0 H3' DG B 18 6.987 -5.655 20.900 1.00 0.68 H new ATOM 0 H2' DG B 18 5.693 -3.870 20.233 1.00 0.65 H new ATOM 0 H2'' DG B 18 4.430 -5.042 19.915 1.00 0.65 H new ATOM 0 H1' DG B 18 3.270 -4.495 21.827 1.00 0.64 H new ATOM 0 H8 DG B 18 6.178 -1.954 21.694 1.00 0.62 H new ATOM 0 H1 DG B 18 0.293 0.510 21.799 1.00 0.58 H new ATOM 0 H21 DG B 18 -0.742 -2.810 21.935 1.00 0.60 H new ATOM 0 H22 DG B 18 -1.197 -1.104 21.891 1.00 0.60 H new ATOM 577 P DA B 19 5.216 -7.386 19.297 1.00 0.72 P ATOM 578 OP1 DA B 19 5.150 -8.858 19.151 1.00 1.64 O ATOM 579 OP2 DA B 19 6.157 -6.605 18.464 1.00 1.29 O ATOM 580 O5' DA B 19 3.734 -6.790 19.077 1.00 0.71 O ATOM 581 C5' DA B 19 2.602 -7.395 19.715 1.00 0.75 C ATOM 582 C4' DA B 19 1.286 -6.818 19.196 1.00 0.73 C ATOM 583 O4' DA B 19 1.191 -5.400 19.487 1.00 0.70 O ATOM 584 C3' DA B 19 1.177 -6.988 17.686 1.00 0.72 C ATOM 585 O3' DA B 19 -0.130 -7.482 17.332 1.00 0.73 O ATOM 586 C2' DA B 19 1.414 -5.609 17.135 1.00 0.69 C ATOM 587 C1' DA B 19 1.042 -4.661 18.256 1.00 0.68 C ATOM 588 N9 DA B 19 1.885 -3.453 18.253 1.00 0.66 N ATOM 589 C8 DA B 19 3.224 -3.324 18.094 1.00 0.66 C ATOM 590 N7 DA B 19 3.720 -2.133 18.160 1.00 0.65 N ATOM 591 C5 DA B 19 2.573 -1.365 18.389 1.00 0.63 C ATOM 592 C6 DA B 19 2.368 0.008 18.564 1.00 0.63 C ATOM 593 N6 DA B 19 3.355 0.902 18.552 1.00 0.63 N ATOM 594 N1 DA B 19 1.105 0.422 18.766 1.00 0.63 N ATOM 595 C2 DA B 19 0.101 -0.454 18.799 1.00 0.63 C ATOM 596 N3 DA B 19 0.182 -1.770 18.648 1.00 0.64 N ATOM 597 C4 DA B 19 1.455 -2.162 18.445 1.00 0.64 C ATOM 0 H5' DA B 19 2.667 -7.242 20.792 1.00 0.75 H new ATOM 0 H5'' DA B 19 2.620 -8.471 19.544 1.00 0.75 H new ATOM 0 H4' DA B 19 0.483 -7.359 19.696 1.00 0.73 H new ATOM 0 H3' DA B 19 1.890 -7.710 17.287 1.00 0.72 H new ATOM 0 H2' DA B 19 2.454 -5.478 16.838 1.00 0.69 H new ATOM 0 H2'' DA B 19 0.805 -5.429 16.249 1.00 0.69 H new ATOM 0 H1' DA B 19 0.018 -4.308 18.133 1.00 0.68 H new ATOM 0 H8 DA B 19 3.853 -4.184 17.919 1.00 0.66 H new ATOM 0 H61 DA B 19 3.148 1.892 18.685 1.00 0.63 H new ATOM 0 H62 DA B 19 4.318 0.597 18.410 1.00 0.63 H new ATOM 0 H2 DA B 19 -0.886 -0.049 18.967 1.00 0.63 H new HETATM 609 P DNR B 20 -0.684 -7.446 15.813 1.00 0.73 P HETATM 610 OP1 DNR B 20 -1.407 -8.711 15.556 1.00 1.53 O HETATM 611 OP2 DNR B 20 0.421 -7.036 14.917 1.00 1.44 O HETATM 612 O5' DNR B 20 -1.767 -6.248 15.855 1.00 0.70 O HETATM 613 C5' DNR B 20 -2.936 -6.352 16.678 1.00 0.69 C HETATM 614 C4' DNR B 20 -3.852 -5.142 16.542 1.00 0.68 C HETATM 615 O4' DNR B 20 -3.125 -3.913 16.795 1.00 0.66 O HETATM 616 C1' DNR B 20 -3.181 -3.066 15.625 1.00 0.65 C HETATM 617 N1 DNR B 20 -1.853 -2.469 15.339 1.00 0.63 N HETATM 618 C6 DNR B 20 -0.754 -3.262 15.217 1.00 0.64 C HETATM 619 C2 DNR B 20 -1.760 -1.079 15.249 1.00 0.61 C HETATM 620 O2 DNR B 20 -2.767 -0.382 15.363 1.00 0.61 O HETATM 621 N3 DNR B 20 -0.527 -0.524 15.041 1.00 0.60 N HETATM 622 C4 DNR B 20 0.561 -1.305 14.927 1.00 0.61 C HETATM 623 N4 DNR B 20 1.753 -0.747 14.733 1.00 0.60 N HETATM 624 C5 DNR B 20 0.463 -2.728 15.014 1.00 0.63 C HETATM 625 C2' DNR B 20 -3.671 -3.939 14.490 1.00 0.69 C HETATM 626 C3' DNR B 20 -4.447 -5.040 15.147 1.00 0.70 C HETATM 627 O3' DNR B 20 -5.846 -4.728 15.206 1.00 0.71 O HETATM 0 H5'' DNR B 20 -3.487 -7.253 16.409 1.00 0.69 H new HETATM 0 H2'' DNR B 20 -4.297 -3.373 13.800 1.00 0.69 H new HETATM 0 HN3 DNR B 20 -0.433 0.489 14.972 1.00 0.60 H new HETATM 0 H6 DNR B 20 -0.862 -4.345 15.285 1.00 0.64 H new HETATM 0 H5' DNR B 20 -2.635 -6.461 17.720 1.00 0.69 H new HETATM 0 H5 DNR B 20 1.346 -3.360 14.919 1.00 0.63 H new HETATM 0 H42 DNR B 20 2.583 -1.334 14.646 1.00 0.60 H new HETATM 0 H41 DNR B 20 1.837 0.268 14.672 1.00 0.60 H new HETATM 0 H4' DNR B 20 -4.648 -5.277 17.274 1.00 0.68 H new HETATM 0 H3' DNR B 20 -4.377 -5.978 14.596 1.00 0.70 H new HETATM 0 H2' DNR B 20 -2.837 -4.336 13.911 1.00 0.69 H new HETATM 0 H1' DNR B 20 -3.857 -2.224 15.773 1.00 0.65 H new ATOM 640 P DA B 21 -6.737 -4.644 13.863 1.00 0.74 P ATOM 641 OP1 DA B 21 -8.146 -4.915 14.226 1.00 1.23 O ATOM 642 OP2 DA B 21 -6.077 -5.454 12.814 1.00 1.74 O ATOM 643 O5' DA B 21 -6.612 -3.091 13.451 1.00 0.63 O ATOM 644 C5' DA B 21 -7.155 -2.070 14.295 1.00 0.62 C ATOM 645 C4' DA B 21 -7.208 -0.720 13.596 1.00 0.57 C ATOM 646 O4' DA B 21 -5.877 -0.171 13.465 1.00 0.54 O ATOM 647 C3' DA B 21 -7.776 -0.875 12.202 1.00 0.56 C ATOM 648 O3' DA B 21 -8.607 0.255 11.868 1.00 0.57 O ATOM 649 C2' DA B 21 -6.554 -0.970 11.340 1.00 0.52 C ATOM 650 C1' DA B 21 -5.484 -0.198 12.078 1.00 0.52 C ATOM 651 N9 DA B 21 -4.156 -0.820 11.912 1.00 0.51 N ATOM 652 C8 DA B 21 -3.815 -2.128 11.826 1.00 0.52 C ATOM 653 N7 DA B 21 -2.563 -2.415 11.707 1.00 0.51 N ATOM 654 C5 DA B 21 -1.985 -1.144 11.710 1.00 0.50 C ATOM 655 C6 DA B 21 -0.662 -0.707 11.615 1.00 0.51 C ATOM 656 N6 DA B 21 0.377 -1.539 11.508 1.00 0.51 N ATOM 657 N1 DA B 21 -0.448 0.618 11.648 1.00 0.54 N ATOM 658 C2 DA B 21 -1.469 1.468 11.770 1.00 0.56 C ATOM 659 N3 DA B 21 -2.757 1.164 11.870 1.00 0.54 N ATOM 660 C4 DA B 21 -2.948 -0.168 11.833 1.00 0.51 C ATOM 0 H5' DA B 21 -6.550 -1.987 15.198 1.00 0.62 H new ATOM 0 H5'' DA B 21 -8.159 -2.355 14.609 1.00 0.62 H new ATOM 0 H4' DA B 21 -7.836 -0.059 14.194 1.00 0.57 H new ATOM 0 H3' DA B 21 -8.424 -1.743 12.081 1.00 0.56 H new ATOM 0 H2' DA B 21 -6.258 -2.008 11.191 1.00 0.52 H new ATOM 0 H2'' DA B 21 -6.735 -0.545 10.353 1.00 0.52 H new ATOM 0 H1' DA B 21 -5.395 0.812 11.678 1.00 0.52 H new ATOM 0 H8 DA B 21 -4.566 -2.904 11.856 1.00 0.52 H new ATOM 0 H61 DA B 21 1.324 -1.166 11.442 1.00 0.51 H new ATOM 0 H62 DA B 21 0.223 -2.547 11.493 1.00 0.51 H new ATOM 0 H2 DA B 21 -1.220 2.519 11.790 1.00 0.56 H new ATOM 672 P DC B 22 -8.767 0.800 10.355 1.00 0.58 P ATOM 673 OP1 DC B 22 -10.049 1.532 10.261 1.00 1.46 O ATOM 674 OP2 DC B 22 -8.484 -0.312 9.420 1.00 1.36 O ATOM 675 O5' DC B 22 -7.566 1.870 10.246 1.00 0.59 O ATOM 676 C5' DC B 22 -7.541 3.013 11.109 1.00 0.63 C ATOM 677 C4' DC B 22 -6.645 4.125 10.566 1.00 0.62 C ATOM 678 O4' DC B 22 -5.256 3.717 10.516 1.00 0.60 O ATOM 679 C3' DC B 22 -7.040 4.513 9.153 1.00 0.59 C ATOM 680 O3' DC B 22 -6.865 5.927 8.945 1.00 0.61 O ATOM 681 C2' DC B 22 -6.107 3.710 8.295 1.00 0.55 C ATOM 682 C1' DC B 22 -4.855 3.566 9.133 1.00 0.56 C ATOM 683 N1 DC B 22 -4.164 2.277 8.901 1.00 0.53 N ATOM 684 C2 DC B 22 -2.793 2.324 8.683 1.00 0.52 C ATOM 685 O2 DC B 22 -2.207 3.405 8.666 1.00 0.53 O ATOM 686 N3 DC B 22 -2.129 1.153 8.483 1.00 0.51 N ATOM 687 C4 DC B 22 -2.778 -0.017 8.494 1.00 0.51 C ATOM 688 N4 DC B 22 -2.092 -1.146 8.305 1.00 0.52 N ATOM 689 C5 DC B 22 -4.192 -0.071 8.715 1.00 0.52 C ATOM 690 C6 DC B 22 -4.842 1.093 8.913 1.00 0.53 C ATOM 0 H5' DC B 22 -7.188 2.714 12.096 1.00 0.63 H new ATOM 0 H5'' DC B 22 -8.555 3.394 11.235 1.00 0.63 H new ATOM 0 H4' DC B 22 -6.770 4.967 11.247 1.00 0.62 H new ATOM 0 H3' DC B 22 -8.088 4.313 8.929 1.00 0.59 H new ATOM 0 H2' DC B 22 -6.533 2.738 8.047 1.00 0.55 H new ATOM 0 H2'' DC B 22 -5.898 4.217 7.353 1.00 0.55 H new ATOM 0 H1' DC B 22 -4.129 4.330 8.854 1.00 0.56 H new ATOM 0 H41 DC B 22 -2.576 -2.044 8.311 1.00 0.52 H new ATOM 0 H42 DC B 22 -1.084 -1.111 8.154 1.00 0.52 H new ATOM 0 H5 DC B 22 -4.720 -1.013 8.723 1.00 0.52 H new ATOM 0 H6 DC B 22 -5.909 1.088 9.083 1.00 0.53 H new ATOM 702 P DC B 23 -6.933 6.583 7.469 1.00 0.60 P ATOM 703 OP1 DC B 23 -7.597 7.901 7.580 1.00 1.21 O ATOM 704 OP2 DC B 23 -7.463 5.570 6.528 1.00 1.60 O ATOM 705 O5' DC B 23 -5.377 6.831 7.116 1.00 0.57 O ATOM 706 C5' DC B 23 -4.635 7.860 7.782 1.00 0.60 C ATOM 707 C4' DC B 23 -3.229 8.027 7.201 1.00 0.57 C ATOM 708 O4' DC B 23 -2.484 6.779 7.261 1.00 0.53 O ATOM 709 C3' DC B 23 -3.275 8.447 5.738 1.00 0.56 C ATOM 710 O3' DC B 23 -2.274 9.443 5.462 1.00 0.57 O ATOM 711 C2' DC B 23 -3.009 7.175 4.989 1.00 0.52 C ATOM 712 C1' DC B 23 -2.124 6.368 5.919 1.00 0.50 C ATOM 713 N1 DC B 23 -2.309 4.907 5.734 1.00 0.48 N ATOM 714 C2 DC B 23 -1.169 4.131 5.558 1.00 0.47 C ATOM 715 O2 DC B 23 -0.056 4.655 5.540 1.00 0.48 O ATOM 716 N3 DC B 23 -1.320 2.787 5.404 1.00 0.47 N ATOM 717 C4 DC B 23 -2.534 2.223 5.420 1.00 0.47 C ATOM 718 N4 DC B 23 -2.644 0.903 5.269 1.00 0.47 N ATOM 719 C5 DC B 23 -3.710 3.015 5.599 1.00 0.48 C ATOM 720 C6 DC B 23 -3.553 4.344 5.751 1.00 0.48 C ATOM 0 H5' DC B 23 -4.562 7.624 8.844 1.00 0.60 H new ATOM 0 H5'' DC B 23 -5.174 8.804 7.702 1.00 0.60 H new ATOM 0 H4' DC B 23 -2.743 8.796 7.802 1.00 0.57 H new ATOM 0 H3' DC B 23 -4.225 8.901 5.455 1.00 0.56 H new ATOM 0 H2' DC B 23 -3.935 6.646 4.763 1.00 0.52 H new ATOM 0 H2'' DC B 23 -2.513 7.370 4.038 1.00 0.52 H new ATOM 0 H1' DC B 23 -1.070 6.554 5.712 1.00 0.50 H new ATOM 0 H41 DC B 23 -3.564 0.463 5.280 1.00 0.47 H new ATOM 0 H42 DC B 23 -1.808 0.333 5.143 1.00 0.47 H new ATOM 0 H5 DC B 23 -4.691 2.563 5.612 1.00 0.48 H new ATOM 0 H6 DC B 23 -4.421 4.972 5.888 1.00 0.48 H new ATOM 732 P DG B 24 -1.887 9.858 3.949 1.00 0.55 P ATOM 733 OP1 DG B 24 -1.494 11.285 3.949 1.00 1.07 O ATOM 734 OP2 DG B 24 -2.963 9.391 3.045 1.00 1.69 O ATOM 735 O5' DG B 24 -0.569 8.971 3.666 1.00 0.45 O ATOM 736 C5' DG B 24 0.649 9.234 4.374 1.00 0.47 C ATOM 737 C4' DG B 24 1.882 8.832 3.565 1.00 0.49 C ATOM 738 O4' DG B 24 2.087 7.403 3.623 1.00 0.48 O ATOM 739 C3' DG B 24 1.720 9.226 2.108 1.00 0.49 C ATOM 740 O3' DG B 24 2.921 9.838 1.604 1.00 0.63 O ATOM 741 C2' DG B 24 1.432 7.937 1.398 1.00 0.44 C ATOM 742 C1' DG B 24 1.898 6.825 2.317 1.00 0.43 C ATOM 743 N9 DG B 24 0.914 5.735 2.369 1.00 0.34 N ATOM 744 C8 DG B 24 -0.425 5.806 2.499 1.00 0.31 C ATOM 745 N7 DG B 24 -1.085 4.696 2.543 1.00 0.30 N ATOM 746 C5 DG B 24 -0.058 3.754 2.427 1.00 0.30 C ATOM 747 C6 DG B 24 -0.120 2.335 2.409 1.00 0.32 C ATOM 748 O6 DG B 24 -1.110 1.614 2.498 1.00 0.36 O ATOM 749 N1 DG B 24 1.142 1.771 2.275 1.00 0.33 N ATOM 750 C2 DG B 24 2.324 2.479 2.172 1.00 0.36 C ATOM 751 N2 DG B 24 3.438 1.757 2.047 1.00 0.41 N ATOM 752 N3 DG B 24 2.391 3.813 2.189 1.00 0.37 N ATOM 753 C4 DG B 24 1.172 4.385 2.319 1.00 0.33 C ATOM 0 H5' DG B 24 0.643 8.691 5.319 1.00 0.47 H new ATOM 0 H5'' DG B 24 0.705 10.295 4.616 1.00 0.47 H new ATOM 0 H4' DG B 24 2.738 9.350 3.998 1.00 0.49 H new ATOM 0 H3' DG B 24 0.927 9.960 1.964 1.00 0.49 H new ATOM 0 H2' DG B 24 0.368 7.842 1.183 1.00 0.44 H new ATOM 0 H2'' DG B 24 1.955 7.895 0.443 1.00 0.44 H new ATOM 0 H1' DG B 24 2.828 6.393 1.948 1.00 0.43 H new ATOM 0 H8 DG B 24 -0.930 6.759 2.564 1.00 0.31 H new ATOM 0 H1 DG B 24 1.201 0.753 2.251 1.00 0.33 H new ATOM 0 H21 DG B 24 4.342 2.223 1.967 1.00 0.41 H new ATOM 0 H22 DG B 24 3.386 0.738 2.032 1.00 0.41 H new ATOM 765 P DC B 25 3.123 10.127 0.025 1.00 0.75 P ATOM 766 OP1 DC B 25 3.973 11.330 -0.118 1.00 1.28 O ATOM 767 OP2 DC B 25 1.797 10.082 -0.632 1.00 1.70 O ATOM 768 O5' DC B 25 3.974 8.846 -0.471 1.00 0.81 O ATOM 769 C5' DC B 25 5.352 8.707 -0.105 1.00 0.90 C ATOM 770 C4' DC B 25 5.975 7.419 -0.654 1.00 0.92 C ATOM 771 O4' DC B 25 5.203 6.259 -0.271 1.00 0.80 O ATOM 772 C3' DC B 25 6.058 7.430 -2.171 1.00 1.00 C ATOM 773 O3' DC B 25 7.337 6.948 -2.616 1.00 1.11 O ATOM 774 C2' DC B 25 4.945 6.538 -2.626 1.00 0.91 C ATOM 775 C1' DC B 25 4.661 5.625 -1.453 1.00 0.79 C ATOM 776 N1 DC B 25 3.211 5.343 -1.302 1.00 0.68 N ATOM 777 C2 DC B 25 2.834 4.024 -1.085 1.00 0.61 C ATOM 778 O2 DC B 25 3.683 3.136 -1.026 1.00 0.64 O ATOM 779 N3 DC B 25 1.509 3.746 -0.939 1.00 0.53 N ATOM 780 C4 DC B 25 0.589 4.717 -1.002 1.00 0.52 C ATOM 781 N4 DC B 25 -0.700 4.409 -0.854 1.00 0.49 N ATOM 782 C5 DC B 25 0.971 6.076 -1.225 1.00 0.59 C ATOM 783 C6 DC B 25 2.283 6.344 -1.368 1.00 0.66 C ATOM 0 H5' DC B 25 5.439 8.715 0.981 1.00 0.90 H new ATOM 0 H5'' DC B 25 5.912 9.565 -0.476 1.00 0.90 H new ATOM 0 H4' DC B 25 6.978 7.368 -0.229 1.00 0.92 H new ATOM 0 H3' DC B 25 5.960 8.434 -2.583 1.00 1.00 H new ATOM 0 H2' DC B 25 4.062 7.117 -2.897 1.00 0.91 H new ATOM 0 H2'' DC B 25 5.234 5.967 -3.508 1.00 0.91 H new ATOM 0 H1' DC B 25 5.132 4.656 -1.616 1.00 0.79 H new ATOM 0 H41 DC B 25 -1.408 5.142 -0.900 1.00 0.49 H new ATOM 0 H42 DC B 25 -0.978 3.441 -0.694 1.00 0.49 H new ATOM 0 H5 DC B 25 0.232 6.862 -1.277 1.00 0.59 H new ATOM 0 H6 DC B 25 2.605 7.361 -1.537 1.00 0.66 H new ATOM 795 P DG B 26 7.606 6.573 -4.164 1.00 1.21 P ATOM 796 OP1 DG B 26 9.039 6.806 -4.452 1.00 1.22 O ATOM 797 OP2 DG B 26 6.572 7.232 -4.993 1.00 2.24 O ATOM 798 O5' DG B 26 7.338 4.983 -4.193 1.00 1.17 O ATOM 799 C5' DG B 26 8.221 4.089 -3.506 1.00 1.20 C ATOM 800 C4' DG B 26 8.142 2.662 -4.051 1.00 1.22 C ATOM 801 O4' DG B 26 6.846 2.068 -3.813 1.00 1.10 O ATOM 802 C3' DG B 26 8.375 2.620 -5.546 1.00 1.35 C ATOM 803 O3' DG B 26 9.053 1.417 -5.924 1.00 1.44 O ATOM 804 C2' DG B 26 6.995 2.660 -6.122 1.00 1.30 C ATOM 805 C1' DG B 26 6.104 2.031 -5.057 1.00 1.14 C ATOM 806 N9 DG B 26 4.804 2.731 -4.922 1.00 1.05 N ATOM 807 C8 DG B 26 4.491 4.044 -5.076 1.00 1.08 C ATOM 808 N7 DG B 26 3.268 4.397 -4.862 1.00 1.00 N ATOM 809 C5 DG B 26 2.673 3.178 -4.525 1.00 0.92 C ATOM 810 C6 DG B 26 1.326 2.889 -4.178 1.00 0.84 C ATOM 811 O6 DG B 26 0.379 3.667 -4.084 1.00 0.85 O ATOM 812 N1 DG B 26 1.146 1.537 -3.917 1.00 0.80 N ATOM 813 C2 DG B 26 2.137 0.576 -3.977 1.00 0.81 C ATOM 814 N2 DG B 26 1.766 -0.674 -3.698 1.00 0.77 N ATOM 815 N3 DG B 26 3.406 0.841 -4.299 1.00 0.88 N ATOM 816 C4 DG B 26 3.606 2.153 -4.561 1.00 0.94 C ATOM 0 H5' DG B 26 7.975 4.084 -2.444 1.00 1.20 H new ATOM 0 H5'' DG B 26 9.244 4.453 -3.595 1.00 1.20 H new ATOM 0 H4' DG B 26 8.919 2.106 -3.526 1.00 1.22 H new ATOM 0 H3' DG B 26 9.003 3.438 -5.899 1.00 1.35 H new ATOM 0 H2' DG B 26 6.688 3.683 -6.340 1.00 1.30 H new ATOM 0 H2'' DG B 26 6.942 2.105 -7.059 1.00 1.30 H new ATOM 0 HO3' DG B 26 9.191 1.411 -6.894 1.00 1.44 H new ATOM 0 H1' DG B 26 5.857 1.008 -5.339 1.00 1.14 H new ATOM 0 H8 DG B 26 5.239 4.767 -5.367 1.00 1.08 H new ATOM 0 H1 DG B 26 0.208 1.229 -3.661 1.00 0.80 H new ATOM 0 H21 DG B 26 2.452 -1.428 -3.726 1.00 0.77 H new ATOM 0 H22 DG B 26 0.796 -0.876 -3.457 1.00 0.77 H new TER 829 DG B 26 CONECT 166 190 CONECT 190 166 191 192 193 CONECT 191 190 CONECT 192 190 CONECT 193 190 194 CONECT 194 193 195 215 216 CONECT 195 194 196 197 217 CONECT 196 195 200 CONECT 197 195 198 199 218 CONECT 198 197 230 CONECT 199 197 200 219 220 CONECT 200 196 199 201 221 CONECT 201 200 202 211 CONECT 202 201 203 222 CONECT 203 202 204 CONECT 204 203 205 211 CONECT 205 204 206 207 CONECT 206 205 CONECT 207 205 208 214 CONECT 208 207 209 210 CONECT 209 208 212 223 CONECT 210 208 211 CONECT 211 201 204 210 CONECT 212 209 213 224 225 CONECT 213 212 214 226 227 CONECT 214 207 213 228 229 CONECT 215 194 CONECT 216 194 CONECT 217 195 CONECT 218 197 CONECT 219 199 CONECT 220 199 CONECT 221 200 CONECT 222 202 CONECT 223 209 CONECT 224 212 CONECT 225 212 CONECT 226 213 CONECT 227 213 CONECT 228 214 CONECT 229 214 CONECT 230 198 CONECT 585 609 CONECT 609 585 610 611 612 CONECT 610 609 CONECT 611 609 CONECT 612 609 613 CONECT 613 612 614 628 629 CONECT 614 613 615 626 630 CONECT 615 614 616 CONECT 616 615 617 625 631 CONECT 617 616 618 619 CONECT 618 617 624 632 CONECT 619 617 620 621 CONECT 620 619 CONECT 621 619 622 633 CONECT 622 621 623 624 CONECT 623 622 634 635 CONECT 624 618 622 636 CONECT 625 616 626 637 638 CONECT 626 614 625 627 639 CONECT 627 626 640 CONECT 628 613 CONECT 629 613 CONECT 630 614 CONECT 631 616 CONECT 632 618 CONECT 633 621 CONECT 634 623 CONECT 635 623 CONECT 636 624 CONECT 637 625 CONECT 638 625 CONECT 639 626 CONECT 640 627 END