USER MOD reduce.3.24.130724 H: found=0, std=0, add=257, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 257 hydrogens (19 hets) HEADER DNA 22-JUL-97 1AP1 TITLE THE SOLUTION NMR STRUCTURE OF AN S-STYRENE OXIDE ADDUCT AT TITLE 2 THE N2 POSITION OF GUANINE OF AN 11 BASE-PAIR TITLE 3 OLIGONUCLEOTIDE SEQUENCE CODING FOR AMINO ACIDS 11-13 OF TITLE 4 THE PRODUCT OF THE N-RAS PROTOONCOGENE, MINIMIZED AVERAGE TITLE 5 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*GP*CP*AP*GSSP*GP*TP*GP*GP*TP*G)- COMPND 3 3'); COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: HUMAN N-RAS PROTOONCOGENE; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA (5'-D(*CP*AP*CP*CP*AP*CP*CP*TP*GP*CP*C)-3'); COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES; COMPND 1 OTHER_DETAILS: HUMAN N-RAS PROTOONCOGENE SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES KEYWDS DNA DUPLEX, HUMAN N-RAS GENE, CODON 12 SEQUENCE, S-STYRENE KEYWDS 2 OXIDE, MINOR GROOVE ADDUCT, DEOXYRIBONUCLEIC ACID EXPDTA SOLUTION NMR AUTHOR F.R.SETAYESH,M.P.STONE REVDAT 3 24-FEB-09 1AP1 1 VERSN REVDAT 2 01-APR-03 1AP1 1 JRNL REVDAT 1 22-JUL-98 1AP1 0 JRNL AUTH F.R.SETAYESH,B.L.DECORTE,P.HORTON,C.M.HARRIS, JRNL AUTH 2 T.M.HARRIS,M.P.STONE JRNL TITL STYRENE OXIDE ADDUCTS IN AN OLIGODEOXYNUCLEOTIDE JRNL TITL 2 CONTAINING THE HUMAN N-RAS CODON 12: MINOR GROOVE JRNL TITL 3 STRUCTURES OF THE R(12,1)- AND JRNL TITL 4 S(12,1)-ALPHA-(N2-GUANYL) STEREOISOMERS DETERMINED JRNL TITL 5 BY 1H NUCLEAR MAGNETIC RESONANCE. JRNL REF CHEM.RES.TOXICOL. V. 11 766 1998 JRNL REFN ISSN 0893-228X JRNL PMID 9671539 JRNL DOI 10.1021/TX9800147 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 1AP1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.9 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, 2QF-COSY, TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX, X-PLOR, MARDIGRAS, REMARK 210 CORMA REMARK 210 METHOD USED : NOE-RESTRAINED MOLECULAR REMARK 210 DYNAMICS/SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : THIS STRUCTURE PROVIDED THE REMARK 210 BEST-FIT FOR THE NOE DATA REMARK 210 BASED ON THE RELAXATION MATRIX REMARK 210 ANALYSIS USING CORMA REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 DG A 1 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 2 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 DC A 3 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DA A 4 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DG A 6 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG A 6 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 6 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DT A 7 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG A 8 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG A 8 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 8 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 DG A 9 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG A 9 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 9 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 DT A 10 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DG A 11 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 11 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 DC B 12 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DA B 13 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DA B 13 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DC B 14 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA B 16 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DA B 16 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DC B 17 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DC B 18 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DT B 19 OP1 - P - OP2 ANGL. DEV. = -20.4 DEGREES REMARK 500 DT B 19 O5' - P - OP1 ANGL. DEV. = 23.8 DEGREES REMARK 500 DT B 19 O5' - P - OP2 ANGL. DEV. = -20.9 DEGREES REMARK 500 DT B 19 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DT B 19 O3' - P - O5' ANGL. DEV. = -36.5 DEGREES REMARK 500 DT B 19 O3' - P - OP2 ANGL. DEV. = 17.1 DEGREES REMARK 500 DT B 19 O3' - P - OP1 ANGL. DEV. = -30.2 DEGREES REMARK 500 DG B 20 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DG B 20 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG B 20 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES REMARK 500 DC B 21 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DC B 22 OP1 - P - OP2 ANGL. DEV. = -21.3 DEGREES REMARK 500 DC B 22 O5' - P - OP1 ANGL. DEV. = -29.5 DEGREES REMARK 500 DC B 22 O5' - P - OP2 ANGL. DEV. = 21.2 DEGREES REMARK 500 DC B 22 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC B 22 O3' - P - O5' ANGL. DEV. = -36.0 DEGREES REMARK 500 DC B 22 O3' - P - OP2 ANGL. DEV. = -22.3 DEGREES REMARK 500 DC B 22 O3' - P - OP1 ANGL. DEV. = 20.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL DBREF 1AP1 A 1 11 PDB 1AP1 1AP1 1 11 DBREF 1AP1 B 12 22 PDB 1AP1 1AP1 12 22 SEQRES 1 A 11 DG DG DC DA GSS DG DT DG DG DT DG SEQRES 1 B 11 DC DA DC DC DA DC DC DT DG DC DC MODRES 1AP1 GSS A 5 DG HET GSS A 5 50 HETNAM GSS 2'-DEOXY-N2-(S)STYRENE OXIDE GUANOSINE MONOPHOSPHATE FORMUL 1 GSS C18 H22 N5 O8 P LINK P GSS A 5 O3' DA A 4 1555 1555 1.61 LINK O3' GSS A 5 P DG A 6 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 DG O5' : rot 180:sc= 0 USER MOD Single : A 5 GSS OB : rot 180:sc=0.000983 USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.135 (180deg=-0.135) USER MOD Single : A 10 DT C7 :methyl -30:sc= -0.906 (180deg=-1.32) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD Single : B 12 DC O5' : rot 180:sc= 0 USER MOD Single : B 19 DT C7 :methyl -30:sc= -2.44 (180deg=-3.7!) USER MOD Single : B 22 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.444 -8.708 0.016 1.00 1.79 O ATOM 2 C5' DG A 1 2.708 -9.032 -0.569 1.00 1.59 C ATOM 3 C4' DG A 1 3.781 -7.987 -0.237 1.00 1.12 C ATOM 4 O4' DG A 1 3.364 -6.677 -0.686 1.00 1.26 O ATOM 5 C3' DG A 1 4.056 -7.906 1.267 1.00 1.03 C ATOM 6 O3' DG A 1 5.422 -8.256 1.565 1.00 1.21 O ATOM 7 C2' DG A 1 3.770 -6.472 1.655 1.00 1.10 C ATOM 8 C1' DG A 1 3.548 -5.707 0.364 1.00 1.07 C ATOM 9 N9 DG A 1 2.383 -4.799 0.456 1.00 0.93 N ATOM 10 C8 DG A 1 1.056 -5.071 0.371 1.00 0.94 C ATOM 11 N7 DG A 1 0.236 -4.075 0.429 1.00 0.89 N ATOM 12 C5 DG A 1 1.109 -2.994 0.572 1.00 0.78 C ATOM 13 C6 DG A 1 0.828 -1.609 0.691 1.00 0.69 C ATOM 14 O6 DG A 1 -0.265 -1.049 0.690 1.00 0.71 O ATOM 15 N1 DG A 1 1.991 -0.862 0.816 1.00 0.68 N ATOM 16 C2 DG A 1 3.272 -1.377 0.827 1.00 0.80 C ATOM 17 N2 DG A 1 4.264 -0.495 0.958 1.00 0.91 N ATOM 18 N3 DG A 1 3.545 -2.679 0.716 1.00 0.89 N ATOM 19 C4 DG A 1 2.425 -3.429 0.593 1.00 0.84 C ATOM 0 H5' DG A 1 2.598 -9.107 -1.651 1.00 1.59 H new ATOM 0 H5'' DG A 1 3.032 -10.010 -0.213 1.00 1.59 H new ATOM 0 H4' DG A 1 4.691 -8.299 -0.750 1.00 1.12 H new ATOM 0 H3' DG A 1 3.434 -8.606 1.824 1.00 1.03 H new ATOM 0 H2' DG A 1 2.890 -6.413 2.296 1.00 1.10 H new ATOM 0 H2'' DG A 1 4.603 -6.050 2.217 1.00 1.10 H new ATOM 0 HO5' DG A 1 0.788 -9.397 -0.220 1.00 1.79 H new ATOM 0 H1' DG A 1 4.411 -5.074 0.157 1.00 1.07 H new ATOM 0 H8 DG A 1 0.699 -6.084 0.259 1.00 0.94 H new ATOM 0 H1 DG A 1 1.891 0.149 0.907 1.00 0.68 H new ATOM 0 H21 DG A 1 5.232 -0.815 0.973 1.00 0.91 H new ATOM 0 H22 DG A 1 4.054 0.500 1.043 1.00 0.91 H new ATOM 32 P DG A 2 5.965 -8.250 3.091 1.00 1.66 P ATOM 33 OP1 DG A 2 7.307 -8.879 3.132 1.00 2.14 O ATOM 34 OP2 DG A 2 4.891 -8.769 3.964 1.00 2.59 O ATOM 35 O5' DG A 2 6.133 -6.678 3.393 1.00 1.41 O ATOM 36 C5' DG A 2 7.290 -5.951 2.966 1.00 1.02 C ATOM 37 C4' DG A 2 7.390 -4.629 3.708 1.00 0.92 C ATOM 38 O4' DG A 2 6.310 -3.746 3.325 1.00 0.82 O ATOM 39 C3' DG A 2 7.299 -4.870 5.207 1.00 0.88 C ATOM 40 O3' DG A 2 8.477 -4.372 5.863 1.00 0.93 O ATOM 41 C2' DG A 2 6.045 -4.153 5.651 1.00 0.77 C ATOM 42 C1' DG A 2 5.644 -3.250 4.500 1.00 0.72 C ATOM 43 N9 DG A 2 4.174 -3.213 4.315 1.00 0.63 N ATOM 44 C8 DG A 2 3.277 -4.225 4.187 1.00 0.64 C ATOM 45 N7 DG A 2 2.034 -3.907 4.026 1.00 0.58 N ATOM 46 C5 DG A 2 2.092 -2.509 4.048 1.00 0.50 C ATOM 47 C6 DG A 2 1.049 -1.549 3.920 1.00 0.43 C ATOM 48 O6 DG A 2 -0.153 -1.742 3.755 1.00 0.44 O ATOM 49 N1 DG A 2 1.539 -0.252 3.999 1.00 0.40 N ATOM 50 C2 DG A 2 2.865 0.088 4.178 1.00 0.44 C ATOM 51 N2 DG A 2 3.143 1.389 4.234 1.00 0.44 N ATOM 52 N3 DG A 2 3.849 -0.807 4.298 1.00 0.51 N ATOM 53 C4 DG A 2 3.398 -2.079 4.225 1.00 0.53 C ATOM 0 H5' DG A 2 7.237 -5.769 1.893 1.00 1.02 H new ATOM 0 H5'' DG A 2 8.187 -6.544 3.145 1.00 1.02 H new ATOM 0 H4' DG A 2 8.346 -4.171 3.453 1.00 0.92 H new ATOM 0 H3' DG A 2 7.245 -5.929 5.461 1.00 0.88 H new ATOM 0 H2' DG A 2 5.252 -4.864 5.883 1.00 0.77 H new ATOM 0 H2'' DG A 2 6.228 -3.573 6.556 1.00 0.77 H new ATOM 0 H1' DG A 2 5.941 -2.222 4.705 1.00 0.72 H new ATOM 0 H8 DG A 2 3.591 -5.258 4.219 1.00 0.64 H new ATOM 0 H1 DG A 2 0.866 0.510 3.918 1.00 0.40 H new ATOM 0 H21 DG A 2 4.106 1.700 4.365 1.00 0.44 H new ATOM 0 H22 DG A 2 2.393 2.075 4.146 1.00 0.44 H new ATOM 65 P DC A 3 8.485 -4.017 7.436 1.00 1.13 P ATOM 66 OP1 DC A 3 9.890 -3.860 7.872 1.00 1.86 O ATOM 67 OP2 DC A 3 7.598 -4.969 8.141 1.00 1.84 O ATOM 68 O5' DC A 3 7.787 -2.571 7.454 1.00 1.00 O ATOM 69 C5' DC A 3 8.363 -1.475 6.739 1.00 1.01 C ATOM 70 C4' DC A 3 7.665 -0.168 7.091 1.00 0.84 C ATOM 71 O4' DC A 3 6.302 -0.169 6.601 1.00 0.69 O ATOM 72 C3' DC A 3 7.622 0.027 8.606 1.00 0.86 C ATOM 73 O3' DC A 3 8.211 1.288 8.974 1.00 0.90 O ATOM 74 C2' DC A 3 6.160 -0.023 8.970 1.00 0.75 C ATOM 75 C1' DC A 3 5.394 0.154 7.672 1.00 0.61 C ATOM 76 N1 DC A 3 4.183 -0.703 7.628 1.00 0.54 N ATOM 77 C2 DC A 3 2.964 -0.078 7.393 1.00 0.43 C ATOM 78 O2 DC A 3 2.906 1.143 7.267 1.00 0.40 O ATOM 79 N3 DC A 3 1.846 -0.849 7.317 1.00 0.40 N ATOM 80 C4 DC A 3 1.912 -2.177 7.466 1.00 0.48 C ATOM 81 N4 DC A 3 0.796 -2.903 7.368 1.00 0.50 N ATOM 82 C5 DC A 3 3.162 -2.827 7.714 1.00 0.58 C ATOM 83 C6 DC A 3 4.267 -2.057 7.787 1.00 0.61 C ATOM 0 H5' DC A 3 8.287 -1.655 5.667 1.00 1.01 H new ATOM 0 H5'' DC A 3 9.425 -1.400 6.975 1.00 1.01 H new ATOM 0 H4' DC A 3 8.229 0.640 6.625 1.00 0.84 H new ATOM 0 H3' DC A 3 8.191 -0.738 9.135 1.00 0.86 H new ATOM 0 H2' DC A 3 5.909 -0.972 9.444 1.00 0.75 H new ATOM 0 H2'' DC A 3 5.909 0.764 9.681 1.00 0.75 H new ATOM 0 H1' DC A 3 5.038 1.180 7.580 1.00 0.61 H new ATOM 0 H41 DC A 3 0.835 -3.916 7.480 1.00 0.50 H new ATOM 0 H42 DC A 3 -0.096 -2.445 7.181 1.00 0.50 H new ATOM 0 H5 DC A 3 3.219 -3.898 7.839 1.00 0.58 H new ATOM 0 H6 DC A 3 5.227 -2.515 7.973 1.00 0.61 H new ATOM 95 P DA A 4 8.129 1.863 10.487 1.00 1.36 P ATOM 96 OP1 DA A 4 9.400 2.561 10.786 1.00 2.06 O ATOM 97 OP2 DA A 4 7.665 0.776 11.379 1.00 2.25 O ATOM 98 O5' DA A 4 6.955 2.971 10.391 1.00 1.03 O ATOM 99 C5' DA A 4 7.222 4.264 9.833 1.00 0.79 C ATOM 100 C4' DA A 4 6.053 5.238 10.019 1.00 0.72 C ATOM 101 O4' DA A 4 4.854 4.739 9.377 1.00 0.65 O ATOM 102 C3' DA A 4 5.755 5.441 11.495 1.00 0.70 C ATOM 103 O3' DA A 4 5.981 6.802 11.898 1.00 0.75 O ATOM 104 C2' DA A 4 4.310 5.054 11.683 1.00 0.65 C ATOM 105 C1' DA A 4 3.781 4.609 10.333 1.00 0.59 C ATOM 106 N9 DA A 4 3.304 3.213 10.393 1.00 0.54 N ATOM 107 C8 DA A 4 4.010 2.069 10.554 1.00 0.54 C ATOM 108 N7 DA A 4 3.355 0.956 10.554 1.00 0.50 N ATOM 109 C5 DA A 4 2.043 1.403 10.375 1.00 0.46 C ATOM 110 C6 DA A 4 0.820 0.733 10.282 1.00 0.42 C ATOM 111 N6 DA A 4 0.707 -0.594 10.364 1.00 0.41 N ATOM 112 N1 DA A 4 -0.283 1.481 10.107 1.00 0.41 N ATOM 113 C2 DA A 4 -0.193 2.810 10.027 1.00 0.44 C ATOM 114 N3 DA A 4 0.912 3.546 10.101 1.00 0.47 N ATOM 115 C4 DA A 4 2.003 2.775 10.277 1.00 0.48 C ATOM 0 H5' DA A 4 7.438 4.159 8.770 1.00 0.79 H new ATOM 0 H5'' DA A 4 8.115 4.680 10.300 1.00 0.79 H new ATOM 0 H4' DA A 4 6.345 6.184 9.564 1.00 0.72 H new ATOM 0 H3' DA A 4 6.416 4.833 12.113 1.00 0.70 H new ATOM 0 H2' DA A 4 4.220 4.251 12.414 1.00 0.65 H new ATOM 0 H2'' DA A 4 3.733 5.897 12.063 1.00 0.65 H new ATOM 0 H1' DA A 4 2.934 5.228 10.038 1.00 0.59 H new ATOM 0 H8 DA A 4 5.083 2.087 10.678 1.00 0.54 H new ATOM 0 H61 DA A 4 -0.211 -1.033 10.290 1.00 0.41 H new ATOM 0 H62 DA A 4 1.538 -1.169 10.501 1.00 0.41 H new ATOM 0 H2 DA A 4 -1.120 3.347 9.887 1.00 0.44 H new HETATM 127 P GSS A 5 5.901 7.190 13.458 1.00 0.79 P HETATM 128 OP1 GSS A 5 6.373 8.579 13.632 1.00 1.40 O HETATM 129 OP2 GSS A 5 6.517 6.088 14.230 1.00 1.63 O HETATM 130 O5' GSS A 5 4.320 7.194 13.712 1.00 0.76 O HETATM 131 C5' GSS A 5 3.533 8.220 13.103 1.00 0.82 C HETATM 132 C4' GSS A 5 2.074 8.136 13.518 1.00 0.80 C HETATM 133 O4' GSS A 5 1.482 6.900 13.061 1.00 0.69 O HETATM 134 C3' GSS A 5 1.948 8.192 15.034 1.00 0.83 C HETATM 135 O3' GSS A 5 1.098 9.291 15.418 1.00 0.94 O HETATM 136 C2' GSS A 5 1.375 6.850 15.439 1.00 0.76 C HETATM 137 C1' GSS A 5 0.865 6.205 14.165 1.00 0.66 C HETATM 138 N9 GSS A 5 1.170 4.757 14.112 1.00 0.57 N HETATM 139 C8 GSS A 5 2.369 4.120 14.105 1.00 0.58 C HETATM 140 N7 GSS A 5 2.365 2.836 13.952 1.00 0.51 N HETATM 141 C5 GSS A 5 0.999 2.563 13.849 1.00 0.46 C HETATM 142 C6 GSS A 5 0.329 1.322 13.665 1.00 0.40 C HETATM 143 O6 GSS A 5 0.817 0.200 13.543 1.00 0.40 O HETATM 144 N1 GSS A 5 -1.049 1.488 13.618 1.00 0.38 N HETATM 145 C2 GSS A 5 -1.711 2.693 13.735 1.00 0.41 C HETATM 146 N2 GSS A 5 -3.048 2.631 13.717 1.00 0.40 N HETATM 147 N3 GSS A 5 -1.088 3.867 13.903 1.00 0.47 N HETATM 148 C4 GSS A 5 0.258 3.733 13.952 1.00 0.49 C HETATM 149 CA GSS A 5 -3.868 3.862 13.926 1.00 0.44 C HETATM 150 CB GSS A 5 -5.343 3.474 14.056 1.00 0.47 C HETATM 151 OB GSS A 5 -5.638 2.431 13.135 1.00 0.49 O HETATM 152 CJ GSS A 5 -3.694 4.801 12.754 1.00 0.45 C HETATM 153 CO GSS A 5 -3.369 4.294 11.492 1.00 0.45 C HETATM 154 CO' GSS A 5 -3.855 6.179 12.933 1.00 0.50 C HETATM 155 CM GSS A 5 -3.205 5.162 10.408 1.00 0.50 C HETATM 156 CM' GSS A 5 -3.691 7.049 11.849 1.00 0.54 C HETATM 157 CP GSS A 5 -3.366 6.540 10.586 1.00 0.55 C HETATM 0 H5'' GSS A 5 3.933 9.196 13.378 1.00 0.82 H new HETATM 0 H2'' GSS A 5 2.136 6.229 15.912 1.00 0.76 H new HETATM 0 HP GSS A 5 -3.238 7.217 9.742 1.00 0.55 H new HETATM 0 HO' GSS A 5 -4.108 6.575 13.916 1.00 0.50 H new HETATM 0 HO GSS A 5 -3.243 3.220 11.353 1.00 0.45 H new HETATM 0 HM' GSS A 5 -3.816 8.123 11.988 1.00 0.54 H new HETATM 0 HM GSS A 5 -2.952 4.765 9.425 1.00 0.50 H new HETATM 0 HB2 GSS A 5 -5.557 3.147 15.074 1.00 0.47 H new HETATM 0 HB1 GSS A 5 -5.977 4.339 13.859 1.00 0.47 H new HETATM 0 HB GSS A 5 -6.582 2.179 13.217 1.00 0.49 H new HETATM 0 HA GSS A 5 -3.539 4.363 14.837 1.00 0.44 H new HETATM 0 H8 GSS A 5 3.302 4.671 14.224 1.00 0.58 H new HETATM 0 H5' GSS A 5 3.607 8.139 12.019 1.00 0.82 H new HETATM 0 H4' GSS A 5 1.555 8.982 13.068 1.00 0.80 H new HETATM 0 H3' GSS A 5 2.902 8.365 15.532 1.00 0.83 H new HETATM 0 H2' GSS A 5 0.569 6.973 16.162 1.00 0.76 H new HETATM 0 H2 GSS A 5 -3.511 1.736 13.559 1.00 0.40 H new HETATM 0 H1' GSS A 5 -0.221 6.284 14.121 1.00 0.66 H new HETATM 0 H1 GSS A 5 -1.618 0.652 13.486 1.00 0.38 H new ATOM 177 P DG A 6 0.317 9.308 16.830 1.00 0.92 P ATOM 178 OP1 DG A 6 -0.338 10.625 16.991 1.00 1.27 O ATOM 179 OP2 DG A 6 1.228 8.806 17.876 1.00 2.02 O ATOM 180 O5' DG A 6 -0.823 8.207 16.594 1.00 0.74 O ATOM 181 C5' DG A 6 -2.008 8.547 15.880 1.00 0.70 C ATOM 182 C4' DG A 6 -3.168 7.676 16.319 1.00 0.59 C ATOM 183 O4' DG A 6 -2.939 6.300 15.942 1.00 0.55 O ATOM 184 C3' DG A 6 -3.319 7.734 17.832 1.00 0.59 C ATOM 185 O3' DG A 6 -4.655 8.101 18.192 1.00 0.64 O ATOM 186 C2' DG A 6 -2.981 6.351 18.323 1.00 0.55 C ATOM 187 C1' DG A 6 -3.008 5.450 17.104 1.00 0.53 C ATOM 188 N9 DG A 6 -1.890 4.488 17.128 1.00 0.51 N ATOM 189 C8 DG A 6 -0.559 4.700 17.283 1.00 0.56 C ATOM 190 N7 DG A 6 0.217 3.668 17.267 1.00 0.52 N ATOM 191 C5 DG A 6 -0.697 2.628 17.078 1.00 0.45 C ATOM 192 C6 DG A 6 -0.475 1.230 16.974 1.00 0.42 C ATOM 193 O6 DG A 6 0.591 0.620 17.019 1.00 0.42 O ATOM 194 N1 DG A 6 -1.665 0.539 16.791 1.00 0.42 N ATOM 195 C2 DG A 6 -2.918 1.115 16.717 1.00 0.44 C ATOM 196 N2 DG A 6 -3.944 0.282 16.546 1.00 0.50 N ATOM 197 N3 DG A 6 -3.135 2.429 16.813 1.00 0.43 N ATOM 198 C4 DG A 6 -1.989 3.124 16.993 1.00 0.45 C ATOM 0 H5' DG A 6 -1.841 8.426 14.810 1.00 0.70 H new ATOM 0 H5'' DG A 6 -2.251 9.596 16.048 1.00 0.70 H new ATOM 0 H4' DG A 6 -4.070 8.047 15.833 1.00 0.59 H new ATOM 0 H3' DG A 6 -2.666 8.484 18.278 1.00 0.59 H new ATOM 0 H2' DG A 6 -1.999 6.335 18.797 1.00 0.55 H new ATOM 0 H2'' DG A 6 -3.701 6.017 19.070 1.00 0.55 H new ATOM 0 H1' DG A 6 -3.924 4.859 17.088 1.00 0.53 H new ATOM 0 H8 DG A 6 -0.163 5.696 17.415 1.00 0.56 H new ATOM 0 H1 DG A 6 -1.609 -0.476 16.704 1.00 0.42 H new ATOM 0 H21 DG A 6 -4.894 0.649 16.484 1.00 0.50 H new ATOM 0 H22 DG A 6 -3.779 -0.722 16.477 1.00 0.50 H new ATOM 210 P DT A 7 -5.119 8.115 19.735 1.00 0.70 P ATOM 211 OP1 DT A 7 -6.292 9.003 19.856 1.00 1.62 O ATOM 212 OP2 DT A 7 -3.932 8.367 20.579 1.00 1.33 O ATOM 213 O5' DT A 7 -5.587 6.590 19.986 1.00 0.76 O ATOM 214 C5' DT A 7 -6.735 6.044 19.322 1.00 0.89 C ATOM 215 C4' DT A 7 -6.948 4.576 19.700 1.00 0.83 C ATOM 216 O4' DT A 7 -5.836 3.761 19.264 1.00 0.74 O ATOM 217 C3' DT A 7 -7.092 4.408 21.212 1.00 0.79 C ATOM 218 O3' DT A 7 -8.401 3.910 21.536 1.00 0.88 O ATOM 219 C2' DT A 7 -6.013 3.428 21.617 1.00 0.68 C ATOM 220 C1' DT A 7 -5.427 2.876 20.327 1.00 0.65 C ATOM 221 N1 DT A 7 -3.949 2.776 20.394 1.00 0.58 N ATOM 222 C2 DT A 7 -3.373 1.561 20.065 1.00 0.58 C ATOM 223 O2 DT A 7 -4.041 0.583 19.736 1.00 0.64 O ATOM 224 N3 DT A 7 -1.994 1.509 20.124 1.00 0.56 N ATOM 225 C4 DT A 7 -1.151 2.544 20.477 1.00 0.54 C ATOM 226 O4 DT A 7 0.068 2.381 20.485 1.00 0.57 O ATOM 227 C5 DT A 7 -1.837 3.773 20.807 1.00 0.54 C ATOM 228 C7 DT A 7 -1.027 4.998 21.219 1.00 0.58 C ATOM 229 C6 DT A 7 -3.183 3.853 20.758 1.00 0.56 C ATOM 0 H5' DT A 7 -6.609 6.130 18.243 1.00 0.89 H new ATOM 0 H5'' DT A 7 -7.620 6.622 19.586 1.00 0.89 H new ATOM 0 H4' DT A 7 -7.864 4.255 19.204 1.00 0.83 H new ATOM 0 H3' DT A 7 -6.982 5.354 21.743 1.00 0.79 H new ATOM 0 H2' DT A 7 -5.245 3.921 22.213 1.00 0.68 H new ATOM 0 H2'' DT A 7 -6.426 2.627 22.230 1.00 0.68 H new ATOM 0 H1' DT A 7 -5.792 1.864 20.153 1.00 0.65 H new ATOM 0 H3 DT A 7 -1.556 0.620 19.883 1.00 0.56 H new ATOM 0 H71 DT A 7 -1.559 5.902 20.923 1.00 0.58 H new ATOM 0 H72 DT A 7 -0.888 4.996 22.300 1.00 0.58 H new ATOM 0 H73 DT A 7 -0.054 4.973 20.728 1.00 0.58 H new ATOM 0 H6 DT A 7 -3.667 4.785 21.011 1.00 0.56 H new ATOM 242 P DG A 8 -8.851 3.638 23.064 1.00 1.04 P ATOM 243 OP1 DG A 8 -10.331 3.667 23.126 1.00 1.93 O ATOM 244 OP2 DG A 8 -8.065 4.524 23.949 1.00 1.63 O ATOM 245 O5' DG A 8 -8.368 2.121 23.315 1.00 0.96 O ATOM 246 C5' DG A 8 -9.087 1.018 22.755 1.00 0.98 C ATOM 247 C4' DG A 8 -8.543 -0.312 23.265 1.00 0.93 C ATOM 248 O4' DG A 8 -7.153 -0.468 22.901 1.00 0.86 O ATOM 249 C3' DG A 8 -8.647 -0.393 24.782 1.00 0.86 C ATOM 250 O3' DG A 8 -9.339 -1.597 25.159 1.00 0.95 O ATOM 251 C2' DG A 8 -7.221 -0.380 25.278 1.00 0.75 C ATOM 252 C1' DG A 8 -6.359 -0.719 24.078 1.00 0.75 C ATOM 253 N9 DG A 8 -5.111 0.073 24.055 1.00 0.65 N ATOM 254 C8 DG A 8 -4.923 1.414 24.163 1.00 0.62 C ATOM 255 N7 DG A 8 -3.714 1.858 24.063 1.00 0.56 N ATOM 256 C5 DG A 8 -2.992 0.678 23.863 1.00 0.54 C ATOM 257 C6 DG A 8 -1.596 0.483 23.678 1.00 0.52 C ATOM 258 O6 DG A 8 -0.705 1.328 23.639 1.00 0.53 O ATOM 259 N1 DG A 8 -1.287 -0.860 23.514 1.00 0.55 N ATOM 260 C2 DG A 8 -2.201 -1.895 23.526 1.00 0.58 C ATOM 261 N2 DG A 8 -1.710 -3.123 23.362 1.00 0.63 N ATOM 262 N3 DG A 8 -3.514 -1.720 23.697 1.00 0.61 N ATOM 263 C4 DG A 8 -3.840 -0.418 23.859 1.00 0.59 C ATOM 0 H5' DG A 8 -9.017 1.049 21.668 1.00 0.98 H new ATOM 0 H5'' DG A 8 -10.144 1.103 23.009 1.00 0.98 H new ATOM 0 H4' DG A 8 -9.139 -1.102 22.809 1.00 0.93 H new ATOM 0 H3' DG A 8 -9.213 0.432 25.214 1.00 0.86 H new ATOM 0 H2' DG A 8 -6.958 0.597 25.684 1.00 0.75 H new ATOM 0 H2'' DG A 8 -7.079 -1.107 26.078 1.00 0.75 H new ATOM 0 H1' DG A 8 -6.051 -1.764 24.123 1.00 0.75 H new ATOM 0 H8 DG A 8 -5.754 2.084 24.326 1.00 0.62 H new ATOM 0 H1 DG A 8 -0.306 -1.102 23.373 1.00 0.55 H new ATOM 0 H21 DG A 8 -2.337 -3.927 23.362 1.00 0.63 H new ATOM 0 H22 DG A 8 -0.707 -3.259 23.237 1.00 0.63 H new ATOM 275 P DG A 9 -9.180 -2.255 26.625 1.00 0.95 P ATOM 276 OP1 DG A 9 -10.211 -3.303 26.778 1.00 1.84 O ATOM 277 OP2 DG A 9 -9.091 -1.165 27.622 1.00 1.48 O ATOM 278 O5' DG A 9 -7.737 -2.967 26.533 1.00 0.91 O ATOM 279 C5' DG A 9 -7.547 -4.175 25.787 1.00 1.03 C ATOM 280 C4' DG A 9 -6.369 -4.966 26.341 1.00 0.96 C ATOM 281 O4' DG A 9 -5.118 -4.314 26.020 1.00 0.83 O ATOM 282 C3' DG A 9 -6.468 -5.073 27.859 1.00 0.93 C ATOM 283 O3' DG A 9 -6.340 -6.449 28.267 1.00 1.06 O ATOM 284 C2' DG A 9 -5.347 -4.210 28.386 1.00 0.75 C ATOM 285 C1' DG A 9 -4.387 -4.021 27.228 1.00 0.68 C ATOM 286 N9 DG A 9 -3.832 -2.652 27.191 1.00 0.55 N ATOM 287 C8 DG A 9 -4.459 -1.451 27.279 1.00 0.55 C ATOM 288 N7 DG A 9 -3.733 -0.388 27.178 1.00 0.48 N ATOM 289 C5 DG A 9 -2.457 -0.930 27.002 1.00 0.42 C ATOM 290 C6 DG A 9 -1.206 -0.278 26.828 1.00 0.40 C ATOM 291 O6 DG A 9 -0.973 0.927 26.782 1.00 0.45 O ATOM 292 N1 DG A 9 -0.170 -1.192 26.688 1.00 0.41 N ATOM 293 C2 DG A 9 -0.312 -2.565 26.712 1.00 0.43 C ATOM 294 N2 DG A 9 0.806 -3.278 26.580 1.00 0.49 N ATOM 295 N3 DG A 9 -1.484 -3.185 26.871 1.00 0.47 N ATOM 296 C4 DG A 9 -2.509 -2.315 27.011 1.00 0.46 C ATOM 0 H5' DG A 9 -7.372 -3.937 24.738 1.00 1.03 H new ATOM 0 H5'' DG A 9 -8.452 -4.781 25.829 1.00 1.03 H new ATOM 0 H4' DG A 9 -6.398 -5.958 25.889 1.00 0.96 H new ATOM 0 H3' DG A 9 -7.429 -4.737 28.248 1.00 0.93 H new ATOM 0 H2' DG A 9 -5.726 -3.251 28.740 1.00 0.75 H new ATOM 0 H2'' DG A 9 -4.851 -4.688 29.231 1.00 0.75 H new ATOM 0 H1' DG A 9 -3.533 -4.689 27.338 1.00 0.68 H new ATOM 0 H8 DG A 9 -5.527 -1.387 27.428 1.00 0.55 H new ATOM 0 H1 DG A 9 0.770 -0.819 26.557 1.00 0.41 H new ATOM 0 H21 DG A 9 0.765 -4.297 26.590 1.00 0.49 H new ATOM 0 H22 DG A 9 1.703 -2.805 26.469 1.00 0.49 H new ATOM 308 P DT A 10 -5.815 -6.868 29.738 1.00 0.81 P ATOM 309 OP1 DT A 10 -6.106 -8.302 29.949 1.00 1.35 O ATOM 310 OP2 DT A 10 -6.302 -5.874 30.715 1.00 1.73 O ATOM 311 O5' DT A 10 -4.223 -6.690 29.600 1.00 0.80 O ATOM 312 C5' DT A 10 -3.458 -7.545 28.745 1.00 0.89 C ATOM 313 C4' DT A 10 -1.981 -7.484 29.108 1.00 0.90 C ATOM 314 O4' DT A 10 -1.428 -6.198 28.755 1.00 0.76 O ATOM 315 C3' DT A 10 -1.794 -7.689 30.607 1.00 0.95 C ATOM 316 O3' DT A 10 -0.931 -8.810 30.862 1.00 1.10 O ATOM 317 C2' DT A 10 -1.196 -6.402 31.118 1.00 0.83 C ATOM 318 C1' DT A 10 -0.778 -5.606 29.897 1.00 0.70 C ATOM 319 N1 DT A 10 -1.141 -4.176 30.040 1.00 0.56 N ATOM 320 C2 DT A 10 -0.147 -3.243 29.811 1.00 0.51 C ATOM 321 O2 DT A 10 1.001 -3.563 29.512 1.00 0.60 O ATOM 322 N3 DT A 10 -0.519 -1.920 29.947 1.00 0.46 N ATOM 323 C4 DT A 10 -1.774 -1.453 30.287 1.00 0.51 C ATOM 324 O4 DT A 10 -1.986 -0.246 30.376 1.00 0.58 O ATOM 325 C5 DT A 10 -2.749 -2.498 30.511 1.00 0.58 C ATOM 326 C7 DT A 10 -4.172 -2.123 30.915 1.00 0.74 C ATOM 327 C6 DT A 10 -2.414 -3.798 30.383 1.00 0.58 C ATOM 0 H5' DT A 10 -3.595 -7.246 27.706 1.00 0.89 H new ATOM 0 H5'' DT A 10 -3.817 -8.570 28.832 1.00 0.89 H new ATOM 0 H4' DT A 10 -1.469 -8.273 28.557 1.00 0.90 H new ATOM 0 H3' DT A 10 -2.735 -7.913 31.110 1.00 0.95 H new ATOM 0 H2' DT A 10 -1.921 -5.847 31.713 1.00 0.83 H new ATOM 0 H2'' DT A 10 -0.340 -6.601 31.763 1.00 0.83 H new ATOM 0 H1' DT A 10 0.305 -5.638 29.775 1.00 0.70 H new ATOM 0 H3 DT A 10 0.203 -1.219 29.780 1.00 0.46 H new ATOM 0 H71 DT A 10 -4.156 -1.192 31.481 1.00 0.74 H new ATOM 0 H72 DT A 10 -4.782 -1.994 30.021 1.00 0.74 H new ATOM 0 H73 DT A 10 -4.596 -2.915 31.532 1.00 0.74 H new ATOM 0 H6 DT A 10 -3.163 -4.557 30.554 1.00 0.58 H new ATOM 340 P DG A 11 -0.257 -9.049 32.313 1.00 1.48 P ATOM 341 OP1 DG A 11 0.130 -10.471 32.418 1.00 1.60 O ATOM 342 OP2 DG A 11 -1.132 -8.455 33.344 1.00 2.50 O ATOM 343 O5' DG A 11 1.085 -8.161 32.229 1.00 1.48 O ATOM 344 C5' DG A 11 2.143 -8.516 31.332 1.00 1.66 C ATOM 345 C4' DG A 11 3.409 -7.709 31.615 1.00 1.68 C ATOM 346 O4' DG A 11 3.220 -6.322 31.257 1.00 1.37 O ATOM 347 C3' DG A 11 3.774 -7.775 33.094 1.00 1.86 C ATOM 348 O3' DG A 11 5.057 -8.384 33.281 1.00 2.17 O ATOM 349 C2' DG A 11 3.782 -6.348 33.585 1.00 1.69 C ATOM 350 C1' DG A 11 3.541 -5.462 32.371 1.00 1.37 C ATOM 351 N9 DG A 11 2.451 -4.493 32.614 1.00 1.13 N ATOM 352 C8 DG A 11 1.151 -4.708 32.939 1.00 1.08 C ATOM 353 N7 DG A 11 0.390 -3.675 33.081 1.00 1.02 N ATOM 354 C5 DG A 11 1.279 -2.628 32.822 1.00 0.95 C ATOM 355 C6 DG A 11 1.056 -1.227 32.820 1.00 0.95 C ATOM 356 O6 DG A 11 0.011 -0.621 33.043 1.00 1.07 O ATOM 357 N1 DG A 11 2.214 -0.527 32.512 1.00 0.93 N ATOM 358 C2 DG A 11 3.441 -1.098 32.237 1.00 0.99 C ATOM 359 N2 DG A 11 4.437 -0.257 31.957 1.00 1.07 N ATOM 360 N3 DG A 11 3.659 -2.416 32.237 1.00 1.07 N ATOM 361 C4 DG A 11 2.543 -3.120 32.536 1.00 1.02 C ATOM 0 H5' DG A 11 1.823 -8.345 30.304 1.00 1.66 H new ATOM 0 H5'' DG A 11 2.360 -9.580 31.426 1.00 1.66 H new ATOM 0 H4' DG A 11 4.211 -8.142 31.017 1.00 1.68 H new ATOM 0 H3' DG A 11 3.060 -8.383 33.649 1.00 1.86 H new ATOM 0 H2' DG A 11 3.007 -6.194 34.336 1.00 1.69 H new ATOM 0 H2'' DG A 11 4.735 -6.107 34.056 1.00 1.69 H new ATOM 0 HO3' DG A 11 5.269 -8.413 34.237 1.00 2.17 H new ATOM 0 H1' DG A 11 4.437 -4.878 32.158 1.00 1.37 H new ATOM 0 H8 DG A 11 0.767 -5.708 33.074 1.00 1.08 H new ATOM 0 H1 DG A 11 2.154 0.491 32.487 1.00 0.93 H new ATOM 0 H21 DG A 11 5.367 -0.620 31.746 1.00 1.07 H new ATOM 0 H22 DG A 11 4.269 0.749 31.954 1.00 1.07 H new TER 374 DG A 11 ATOM 375 O5' DC B 12 2.273 7.542 34.844 1.00 1.68 O ATOM 376 C5' DC B 12 3.657 7.644 35.171 1.00 1.53 C ATOM 377 C4' DC B 12 4.516 6.842 34.200 1.00 1.41 C ATOM 378 O4' DC B 12 4.117 5.452 34.197 1.00 1.37 O ATOM 379 C3' DC B 12 4.383 7.379 32.780 1.00 1.25 C ATOM 380 O3' DC B 12 5.687 7.714 32.264 1.00 1.37 O ATOM 381 C2' DC B 12 3.714 6.272 31.993 1.00 1.09 C ATOM 382 C1' DC B 12 3.780 5.028 32.861 1.00 1.14 C ATOM 383 N1 DC B 12 2.501 4.270 32.855 1.00 1.05 N ATOM 384 C2 DC B 12 2.572 2.910 32.591 1.00 0.98 C ATOM 385 O2 DC B 12 3.648 2.390 32.302 1.00 1.01 O ATOM 386 N3 DC B 12 1.429 2.177 32.650 1.00 0.97 N ATOM 387 C4 DC B 12 0.257 2.745 32.954 1.00 1.07 C ATOM 388 N4 DC B 12 -0.835 1.982 33.037 1.00 1.17 N ATOM 389 C5 DC B 12 0.168 4.147 33.218 1.00 1.14 C ATOM 390 C6 DC B 12 1.306 4.870 33.158 1.00 1.10 C ATOM 0 H5' DC B 12 3.820 7.284 36.187 1.00 1.53 H new ATOM 0 H5'' DC B 12 3.962 8.690 35.151 1.00 1.53 H new ATOM 0 H4' DC B 12 5.550 6.934 34.531 1.00 1.41 H new ATOM 0 H3' DC B 12 3.792 8.293 32.722 1.00 1.25 H new ATOM 0 H2' DC B 12 2.680 6.530 31.762 1.00 1.09 H new ATOM 0 H2'' DC B 12 4.222 6.110 31.042 1.00 1.09 H new ATOM 0 HO5' DC B 12 1.746 8.065 35.484 1.00 1.68 H new ATOM 0 H1' DC B 12 4.535 4.348 32.466 1.00 1.14 H new ATOM 0 H41 DC B 12 -1.735 2.403 33.268 1.00 1.17 H new ATOM 0 H42 DC B 12 -0.770 0.978 32.869 1.00 1.17 H new ATOM 0 H5 DC B 12 -0.777 4.612 33.457 1.00 1.14 H new ATOM 0 H6 DC B 12 1.275 5.932 33.351 1.00 1.10 H new ATOM 403 P DA B 13 6.072 7.567 30.701 1.00 1.29 P ATOM 404 OP1 DA B 13 7.429 8.121 30.502 1.00 1.94 O ATOM 405 OP2 DA B 13 4.947 8.080 29.890 1.00 1.96 O ATOM 406 O5' DA B 13 6.140 5.969 30.506 1.00 1.07 O ATOM 407 C5' DA B 13 7.217 5.197 31.046 1.00 1.09 C ATOM 408 C4' DA B 13 7.433 3.931 30.225 1.00 0.98 C ATOM 409 O4' DA B 13 6.324 3.019 30.392 1.00 0.88 O ATOM 410 C3' DA B 13 7.548 4.268 28.742 1.00 0.95 C ATOM 411 O3' DA B 13 8.743 3.680 28.194 1.00 0.99 O ATOM 412 C2' DA B 13 6.294 3.710 28.110 1.00 0.85 C ATOM 413 C1' DA B 13 5.712 2.735 29.115 1.00 0.80 C ATOM 414 N9 DA B 13 4.241 2.851 29.201 1.00 0.75 N ATOM 415 C8 DA B 13 3.454 3.955 29.267 1.00 0.81 C ATOM 416 N7 DA B 13 2.180 3.772 29.385 1.00 0.77 N ATOM 417 C5 DA B 13 2.097 2.376 29.398 1.00 0.67 C ATOM 418 C6 DA B 13 1.018 1.493 29.502 1.00 0.61 C ATOM 419 N6 DA B 13 -0.247 1.897 29.628 1.00 0.64 N ATOM 420 N1 DA B 13 1.292 0.177 29.480 1.00 0.54 N ATOM 421 C2 DA B 13 2.550 -0.249 29.362 1.00 0.53 C ATOM 422 N3 DA B 13 3.643 0.497 29.259 1.00 0.59 N ATOM 423 C4 DA B 13 3.345 1.810 29.284 1.00 0.66 C ATOM 0 H5' DA B 13 6.999 4.933 32.081 1.00 1.09 H new ATOM 0 H5'' DA B 13 8.130 5.792 31.054 1.00 1.09 H new ATOM 0 H4' DA B 13 8.354 3.466 30.577 1.00 0.98 H new ATOM 0 H3' DA B 13 7.629 5.339 28.556 1.00 0.95 H new ATOM 0 H2' DA B 13 5.585 4.506 27.884 1.00 0.85 H new ATOM 0 H2'' DA B 13 6.522 3.209 27.169 1.00 0.85 H new ATOM 0 H1' DA B 13 5.921 1.712 28.803 1.00 0.80 H new ATOM 0 H8 DA B 13 3.876 4.948 29.223 1.00 0.81 H new ATOM 0 H61 DA B 13 -0.997 1.210 29.700 1.00 0.64 H new ATOM 0 H62 DA B 13 -0.464 2.893 29.652 1.00 0.64 H new ATOM 0 H2 DA B 13 2.696 -1.319 29.349 1.00 0.53 H new ATOM 435 P DC B 14 8.886 3.316 26.625 1.00 0.91 P ATOM 436 OP1 DC B 14 10.320 3.126 26.321 1.00 1.75 O ATOM 437 OP2 DC B 14 8.095 4.289 25.840 1.00 1.55 O ATOM 438 O5' DC B 14 8.154 1.883 26.532 1.00 0.79 O ATOM 439 C5' DC B 14 8.676 0.752 27.239 1.00 0.83 C ATOM 440 C4' DC B 14 8.001 -0.542 26.794 1.00 0.74 C ATOM 441 O4' DC B 14 6.608 -0.566 27.187 1.00 0.66 O ATOM 442 C3' DC B 14 8.075 -0.693 25.281 1.00 0.71 C ATOM 443 O3' DC B 14 8.826 -1.874 24.937 1.00 0.73 O ATOM 444 C2' DC B 14 6.634 -0.768 24.808 1.00 0.64 C ATOM 445 C1' DC B 14 5.768 -0.870 26.054 1.00 0.60 C ATOM 446 N1 DC B 14 4.603 0.052 26.008 1.00 0.59 N ATOM 447 C2 DC B 14 3.336 -0.502 26.165 1.00 0.54 C ATOM 448 O2 DC B 14 3.198 -1.719 26.269 1.00 0.50 O ATOM 449 N3 DC B 14 2.262 0.336 26.195 1.00 0.55 N ATOM 450 C4 DC B 14 2.414 1.660 26.074 1.00 0.62 C ATOM 451 N4 DC B 14 1.337 2.450 26.124 1.00 0.65 N ATOM 452 C5 DC B 14 3.712 2.237 25.905 1.00 0.67 C ATOM 453 C6 DC B 14 4.773 1.403 25.876 1.00 0.65 C ATOM 0 H5' DC B 14 8.529 0.891 28.310 1.00 0.83 H new ATOM 0 H5'' DC B 14 9.751 0.680 27.071 1.00 0.83 H new ATOM 0 H4' DC B 14 8.530 -1.364 27.277 1.00 0.74 H new ATOM 0 H3' DC B 14 8.590 0.139 24.801 1.00 0.71 H new ATOM 0 H2' DC B 14 6.372 0.115 24.226 1.00 0.64 H new ATOM 0 H2'' DC B 14 6.484 -1.632 24.161 1.00 0.64 H new ATOM 0 H1' DC B 14 5.356 -1.876 26.127 1.00 0.60 H new ATOM 0 H41 DC B 14 1.441 3.461 26.033 1.00 0.65 H new ATOM 0 H42 DC B 14 0.411 2.042 26.253 1.00 0.65 H new ATOM 0 H5 DC B 14 3.839 3.305 25.804 1.00 0.67 H new ATOM 0 H6 DC B 14 5.766 1.806 25.747 1.00 0.65 H new ATOM 465 P DC B 15 8.609 -2.642 23.532 1.00 0.89 P ATOM 466 OP1 DC B 15 9.543 -3.787 23.466 1.00 1.75 O ATOM 467 OP2 DC B 15 8.600 -1.643 22.441 1.00 1.72 O ATOM 468 O5' DC B 15 7.125 -3.229 23.704 1.00 0.77 O ATOM 469 C5' DC B 15 6.914 -4.395 24.497 1.00 0.82 C ATOM 470 C4' DC B 15 5.625 -5.108 24.116 1.00 0.73 C ATOM 471 O4' DC B 15 4.476 -4.306 24.441 1.00 0.70 O ATOM 472 C3' DC B 15 5.597 -5.432 22.635 1.00 0.68 C ATOM 473 O3' DC B 15 5.623 -6.883 22.491 1.00 0.73 O ATOM 474 C2' DC B 15 4.335 -4.775 22.101 1.00 0.60 C ATOM 475 C1' DC B 15 3.610 -4.174 23.303 1.00 0.62 C ATOM 476 N1 DC B 15 3.245 -2.742 23.117 1.00 0.59 N ATOM 477 C2 DC B 15 1.907 -2.403 23.275 1.00 0.60 C ATOM 478 O2 DC B 15 1.070 -3.275 23.489 1.00 0.63 O ATOM 479 N3 DC B 15 1.554 -1.091 23.194 1.00 0.60 N ATOM 480 C4 DC B 15 2.465 -0.139 22.965 1.00 0.60 C ATOM 481 N4 DC B 15 2.070 1.136 22.891 1.00 0.63 N ATOM 482 C5 DC B 15 3.846 -0.472 22.795 1.00 0.61 C ATOM 483 C6 DC B 15 4.193 -1.779 22.876 1.00 0.60 C ATOM 0 H5' DC B 15 6.879 -4.117 25.550 1.00 0.82 H new ATOM 0 H5'' DC B 15 7.756 -5.076 24.375 1.00 0.82 H new ATOM 0 H4' DC B 15 5.591 -6.036 24.687 1.00 0.73 H new ATOM 0 H3' DC B 15 6.450 -5.057 22.069 1.00 0.68 H new ATOM 0 H2' DC B 15 4.580 -4.003 21.371 1.00 0.60 H new ATOM 0 H2'' DC B 15 3.704 -5.505 21.594 1.00 0.60 H new ATOM 0 H1' DC B 15 2.671 -4.711 23.438 1.00 0.62 H new ATOM 0 H41 DC B 15 2.754 1.872 22.717 1.00 0.63 H new ATOM 0 H42 DC B 15 1.085 1.372 23.009 1.00 0.63 H new ATOM 0 H5 DC B 15 4.586 0.292 22.609 1.00 0.61 H new ATOM 0 H6 DC B 15 5.226 -2.066 22.750 1.00 0.60 H new ATOM 495 P DA B 16 4.812 -7.713 21.357 1.00 1.09 P ATOM 496 OP1 DA B 16 4.858 -9.162 21.728 1.00 2.03 O ATOM 497 OP2 DA B 16 5.301 -7.259 20.034 1.00 1.91 O ATOM 498 O5' DA B 16 3.287 -7.207 21.522 1.00 0.90 O ATOM 499 C5' DA B 16 2.247 -8.120 21.908 1.00 0.75 C ATOM 500 C4' DA B 16 0.912 -7.814 21.218 1.00 0.65 C ATOM 501 O4' DA B 16 0.577 -6.418 21.356 1.00 0.62 O ATOM 502 C3' DA B 16 0.942 -8.147 19.725 1.00 0.62 C ATOM 503 O3' DA B 16 -0.116 -9.077 19.409 1.00 0.62 O ATOM 504 C2' DA B 16 0.748 -6.829 19.018 1.00 0.56 C ATOM 505 C1' DA B 16 0.257 -5.857 20.070 1.00 0.56 C ATOM 506 N9 DA B 16 0.879 -4.533 19.908 1.00 0.56 N ATOM 507 C8 DA B 16 2.173 -4.200 19.679 1.00 0.57 C ATOM 508 N7 DA B 16 2.461 -2.944 19.618 1.00 0.57 N ATOM 509 C5 DA B 16 1.209 -2.360 19.830 1.00 0.56 C ATOM 510 C6 DA B 16 0.783 -1.032 19.892 1.00 0.58 C ATOM 511 N6 DA B 16 1.609 0.002 19.748 1.00 0.60 N ATOM 512 N1 DA B 16 -0.523 -0.811 20.116 1.00 0.59 N ATOM 513 C2 DA B 16 -1.366 -1.835 20.270 1.00 0.58 C ATOM 514 N3 DA B 16 -1.071 -3.127 20.229 1.00 0.56 N ATOM 515 C4 DA B 16 0.243 -3.321 20.005 1.00 0.55 C ATOM 0 H5' DA B 16 2.112 -8.076 22.989 1.00 0.75 H new ATOM 0 H5'' DA B 16 2.553 -9.138 21.666 1.00 0.75 H new ATOM 0 H4' DA B 16 0.165 -8.439 21.707 1.00 0.65 H new ATOM 0 H3' DA B 16 1.875 -8.621 19.420 1.00 0.62 H new ATOM 0 H2' DA B 16 1.682 -6.484 18.574 1.00 0.56 H new ATOM 0 H2'' DA B 16 0.025 -6.924 18.208 1.00 0.56 H new ATOM 0 H1' DA B 16 -0.819 -5.710 19.971 1.00 0.56 H new ATOM 0 H8 DA B 16 2.933 -4.957 19.553 1.00 0.57 H new ATOM 0 H61 DA B 16 1.248 0.954 19.802 1.00 0.60 H new ATOM 0 H62 DA B 16 2.603 -0.158 19.584 1.00 0.60 H new ATOM 0 H2 DA B 16 -2.401 -1.583 20.447 1.00 0.58 H new ATOM 527 P DC B 17 -0.701 -9.264 17.908 1.00 0.83 P ATOM 528 OP1 DC B 17 -1.418 -10.558 17.855 1.00 1.39 O ATOM 529 OP2 DC B 17 0.383 -8.990 16.941 1.00 1.90 O ATOM 530 O5' DC B 17 -1.796 -8.079 17.785 1.00 0.65 O ATOM 531 C5' DC B 17 -3.012 -8.118 18.544 1.00 0.65 C ATOM 532 C4' DC B 17 -3.973 -6.990 18.151 1.00 0.56 C ATOM 533 O4' DC B 17 -3.356 -5.705 18.387 1.00 0.54 O ATOM 534 C3' DC B 17 -4.367 -7.060 16.671 1.00 0.53 C ATOM 535 O3' DC B 17 -5.804 -7.057 16.520 1.00 0.57 O ATOM 536 C2' DC B 17 -3.764 -5.832 16.041 1.00 0.48 C ATOM 537 C1' DC B 17 -3.387 -4.911 17.186 1.00 0.49 C ATOM 538 N1 DC B 17 -2.083 -4.255 16.948 1.00 0.45 N ATOM 539 C2 DC B 17 -2.038 -2.874 17.057 1.00 0.47 C ATOM 540 O2 DC B 17 -3.061 -2.239 17.304 1.00 0.51 O ATOM 541 N3 DC B 17 -0.846 -2.249 16.872 1.00 0.45 N ATOM 542 C4 DC B 17 0.261 -2.944 16.589 1.00 0.44 C ATOM 543 N4 DC B 17 1.415 -2.296 16.438 1.00 0.45 N ATOM 544 C5 DC B 17 0.223 -4.370 16.468 1.00 0.44 C ATOM 545 C6 DC B 17 -0.963 -4.982 16.655 1.00 0.45 C ATOM 0 H5' DC B 17 -2.779 -8.041 19.606 1.00 0.65 H new ATOM 0 H5'' DC B 17 -3.502 -9.080 18.394 1.00 0.65 H new ATOM 0 H4' DC B 17 -4.867 -7.111 18.763 1.00 0.56 H new ATOM 0 H3' DC B 17 -4.009 -7.976 16.201 1.00 0.53 H new ATOM 0 H2' DC B 17 -2.889 -6.090 15.445 1.00 0.48 H new ATOM 0 H2'' DC B 17 -4.475 -5.349 15.371 1.00 0.48 H new ATOM 0 H1' DC B 17 -4.121 -4.110 17.278 1.00 0.49 H new ATOM 0 H41 DC B 17 2.267 -2.814 16.222 1.00 0.45 H new ATOM 0 H42 DC B 17 1.447 -1.281 16.538 1.00 0.45 H new ATOM 0 H5 DC B 17 1.113 -4.935 16.235 1.00 0.44 H new ATOM 0 H6 DC B 17 -1.029 -6.057 16.573 1.00 0.45 H new ATOM 557 P DC B 18 -6.505 -6.950 15.058 1.00 1.06 P ATOM 558 OP1 DC B 18 -7.926 -7.351 15.190 1.00 1.54 O ATOM 559 OP2 DC B 18 -5.641 -7.644 14.082 1.00 2.19 O ATOM 560 O5' DC B 18 -6.450 -5.369 14.729 1.00 0.81 O ATOM 561 C5' DC B 18 -7.515 -4.490 15.115 1.00 0.74 C ATOM 562 C4' DC B 18 -7.567 -3.235 14.233 1.00 0.65 C ATOM 563 O4' DC B 18 -6.363 -2.442 14.398 1.00 0.59 O ATOM 564 C3' DC B 18 -7.674 -3.616 12.758 1.00 0.61 C ATOM 565 O3' DC B 18 -8.716 -2.881 12.083 1.00 0.66 O ATOM 566 C2' DC B 18 -6.342 -3.264 12.171 1.00 0.52 C ATOM 567 C1' DC B 18 -5.746 -2.234 13.111 1.00 0.51 C ATOM 568 N1 DC B 18 -4.268 -2.353 13.186 1.00 0.44 N ATOM 569 C2 DC B 18 -3.524 -1.179 13.098 1.00 0.43 C ATOM 570 O2 DC B 18 -4.087 -0.086 13.027 1.00 0.47 O ATOM 571 N3 DC B 18 -2.169 -1.274 13.102 1.00 0.41 N ATOM 572 C4 DC B 18 -1.560 -2.465 13.189 1.00 0.39 C ATOM 573 N4 DC B 18 -0.231 -2.521 13.104 1.00 0.41 N ATOM 574 C5 DC B 18 -2.318 -3.673 13.293 1.00 0.39 C ATOM 575 C6 DC B 18 -3.661 -3.573 13.290 1.00 0.41 C ATOM 0 H5' DC B 18 -7.385 -4.197 16.157 1.00 0.74 H new ATOM 0 H5'' DC B 18 -8.465 -5.020 15.049 1.00 0.74 H new ATOM 0 H4' DC B 18 -8.442 -2.661 14.539 1.00 0.65 H new ATOM 0 H3' DC B 18 -7.926 -4.671 12.646 1.00 0.61 H new ATOM 0 H2' DC B 18 -5.702 -4.143 12.095 1.00 0.52 H new ATOM 0 H2'' DC B 18 -6.451 -2.861 11.164 1.00 0.52 H new ATOM 0 H1' DC B 18 -5.941 -1.224 12.750 1.00 0.51 H new ATOM 0 H41 DC B 18 0.247 -3.420 13.168 1.00 0.41 H new ATOM 0 H42 DC B 18 0.308 -1.665 12.975 1.00 0.41 H new ATOM 0 H5 DC B 18 -1.830 -4.633 13.371 1.00 0.39 H new ATOM 0 H6 DC B 18 -4.264 -4.465 13.371 1.00 0.41 H new ATOM 587 P DT B 19 -9.101 -3.260 10.555 1.00 0.68 P ATOM 588 OP1 DT B 19 -10.057 -4.024 11.394 1.00 1.60 O ATOM 589 OP2 DT B 19 -10.065 -2.568 9.667 1.00 1.31 O ATOM 590 O5' DT B 19 -8.389 -1.797 10.676 1.00 0.64 O ATOM 591 C5' DT B 19 -9.206 -0.607 10.769 1.00 0.72 C ATOM 592 C4' DT B 19 -8.610 0.626 10.077 1.00 0.71 C ATOM 593 O4' DT B 19 -7.279 0.889 10.555 1.00 0.61 O ATOM 594 C3' DT B 19 -8.545 0.465 8.560 1.00 0.72 C ATOM 595 O3' DT B 19 -9.473 1.337 7.880 1.00 0.88 O ATOM 596 C2' DT B 19 -7.132 0.793 8.168 1.00 0.60 C ATOM 597 C1' DT B 19 -6.397 1.149 9.445 1.00 0.54 C ATOM 598 N1 DT B 19 -5.164 0.358 9.565 1.00 0.44 N ATOM 599 C2 DT B 19 -3.972 1.047 9.613 1.00 0.38 C ATOM 600 O2 DT B 19 -3.920 2.272 9.552 1.00 0.40 O ATOM 601 N3 DT B 19 -2.835 0.276 9.712 1.00 0.34 N ATOM 602 C4 DT B 19 -2.786 -1.104 9.762 1.00 0.33 C ATOM 603 O4 DT B 19 -1.711 -1.688 9.848 1.00 0.34 O ATOM 604 C5 DT B 19 -4.082 -1.741 9.703 1.00 0.38 C ATOM 605 C7 DT B 19 -4.169 -3.264 9.712 1.00 0.41 C ATOM 606 C6 DT B 19 -5.208 -1.010 9.611 1.00 0.43 C ATOM 0 H5' DT B 19 -9.370 -0.375 11.821 1.00 0.72 H new ATOM 0 H5'' DT B 19 -10.183 -0.817 10.333 1.00 0.72 H new ATOM 0 H4' DT B 19 -9.273 1.457 10.318 1.00 0.71 H new ATOM 0 H3' DT B 19 -8.824 -0.549 8.274 1.00 0.72 H new ATOM 0 H2' DT B 19 -6.660 -0.056 7.674 1.00 0.60 H new ATOM 0 H2'' DT B 19 -7.109 1.624 7.464 1.00 0.60 H new ATOM 0 H1' DT B 19 -6.112 2.201 9.435 1.00 0.54 H new ATOM 0 H3 DT B 19 -1.944 0.771 9.752 1.00 0.34 H new ATOM 0 H71 DT B 19 -3.277 -3.682 9.246 1.00 0.41 H new ATOM 0 H72 DT B 19 -4.241 -3.618 10.740 1.00 0.41 H new ATOM 0 H73 DT B 19 -5.051 -3.581 9.156 1.00 0.41 H new ATOM 0 H6 DT B 19 -6.164 -1.511 9.573 1.00 0.43 H new ATOM 619 P DG B 20 -9.444 2.962 8.000 1.00 0.63 P ATOM 620 OP1 DG B 20 -9.687 3.325 9.411 1.00 1.61 O ATOM 621 OP2 DG B 20 -10.349 3.496 6.957 1.00 1.51 O ATOM 622 O5' DG B 20 -7.926 3.405 7.607 1.00 0.55 O ATOM 623 C5' DG B 20 -7.463 4.742 7.922 1.00 0.58 C ATOM 624 C4' DG B 20 -6.203 5.171 7.139 1.00 0.54 C ATOM 625 O4' DG B 20 -5.102 4.283 7.416 1.00 0.48 O ATOM 626 C3' DG B 20 -6.408 5.206 5.616 1.00 0.54 C ATOM 627 O3' DG B 20 -6.136 6.536 5.118 1.00 0.58 O ATOM 628 C2' DG B 20 -5.427 4.201 5.068 1.00 0.49 C ATOM 629 C1' DG B 20 -4.439 3.946 6.186 1.00 0.45 C ATOM 630 N9 DG B 20 -4.000 2.548 6.197 1.00 0.42 N ATOM 631 C8 DG B 20 -4.714 1.414 6.004 1.00 0.47 C ATOM 632 N7 DG B 20 -4.084 0.292 6.087 1.00 0.45 N ATOM 633 C5 DG B 20 -2.783 0.719 6.368 1.00 0.37 C ATOM 634 C6 DG B 20 -1.605 -0.040 6.576 1.00 0.34 C ATOM 635 O6 DG B 20 -1.471 -1.260 6.562 1.00 0.37 O ATOM 636 N1 DG B 20 -0.512 0.777 6.829 1.00 0.32 N ATOM 637 C2 DG B 20 -0.543 2.157 6.878 1.00 0.32 C ATOM 638 N2 DG B 20 0.615 2.768 7.126 1.00 0.37 N ATOM 639 N3 DG B 20 -1.648 2.878 6.685 1.00 0.34 N ATOM 640 C4 DG B 20 -2.726 2.100 6.436 1.00 0.35 C ATOM 0 H5' DG B 20 -7.252 4.800 8.990 1.00 0.58 H new ATOM 0 H5'' DG B 20 -8.265 5.451 7.716 1.00 0.58 H new ATOM 0 H4' DG B 20 -5.987 6.184 7.478 1.00 0.54 H new ATOM 0 H3' DG B 20 -7.429 4.964 5.319 1.00 0.54 H new ATOM 0 H2' DG B 20 -5.932 3.281 4.773 1.00 0.49 H new ATOM 0 H2'' DG B 20 -4.924 4.587 4.181 1.00 0.49 H new ATOM 0 H1' DG B 20 -3.543 4.552 6.049 1.00 0.45 H new ATOM 0 H8 DG B 20 -5.772 1.448 5.789 1.00 0.47 H new ATOM 0 H1 DG B 20 0.386 0.322 6.992 1.00 0.32 H new ATOM 0 H21 DG B 20 0.654 3.786 7.174 1.00 0.37 H new ATOM 0 H22 DG B 20 1.462 2.218 7.268 1.00 0.37 H new ATOM 652 P DC B 21 -5.637 6.839 3.601 1.00 0.57 P ATOM 653 OP1 DC B 21 -5.973 8.246 3.291 1.00 1.64 O ATOM 654 OP2 DC B 21 -6.147 5.775 2.713 1.00 1.16 O ATOM 655 O5' DC B 21 -4.013 6.700 3.679 1.00 0.53 O ATOM 656 C5' DC B 21 -3.229 7.531 4.566 1.00 0.51 C ATOM 657 C4' DC B 21 -1.706 7.321 4.413 1.00 0.45 C ATOM 658 O4' DC B 21 -1.310 5.994 4.827 1.00 0.43 O ATOM 659 C3' DC B 21 -1.252 7.511 2.969 1.00 0.48 C ATOM 660 O3' DC B 21 -0.154 8.455 2.875 1.00 0.56 O ATOM 661 C2' DC B 21 -0.796 6.164 2.510 1.00 0.45 C ATOM 662 C1' DC B 21 -0.599 5.332 3.758 1.00 0.41 C ATOM 663 N1 DC B 21 -1.100 3.959 3.566 1.00 0.37 N ATOM 664 C2 DC B 21 -0.192 2.922 3.709 1.00 0.36 C ATOM 665 O2 DC B 21 0.989 3.158 3.955 1.00 0.37 O ATOM 666 N3 DC B 21 -0.641 1.648 3.559 1.00 0.36 N ATOM 667 C4 DC B 21 -1.926 1.398 3.281 1.00 0.41 C ATOM 668 N4 DC B 21 -2.329 0.134 3.152 1.00 0.47 N ATOM 669 C5 DC B 21 -2.869 2.463 3.129 1.00 0.44 C ATOM 670 C6 DC B 21 -2.415 3.723 3.279 1.00 0.41 C ATOM 0 H5' DC B 21 -3.516 7.322 5.597 1.00 0.51 H new ATOM 0 H5'' DC B 21 -3.465 8.578 4.375 1.00 0.51 H new ATOM 0 H4' DC B 21 -1.235 8.069 5.051 1.00 0.45 H new ATOM 0 H3' DC B 21 -2.063 7.909 2.359 1.00 0.48 H new ATOM 0 H2' DC B 21 -1.535 5.707 1.851 1.00 0.45 H new ATOM 0 H2'' DC B 21 0.132 6.240 1.944 1.00 0.45 H new ATOM 0 H1' DC B 21 0.462 5.247 3.995 1.00 0.41 H new ATOM 0 H41 DC B 21 -3.306 -0.071 2.940 1.00 0.47 H new ATOM 0 H42 DC B 21 -1.661 -0.628 3.265 1.00 0.47 H new ATOM 0 H5 DC B 21 -3.906 2.265 2.902 1.00 0.44 H new ATOM 0 H6 DC B 21 -3.097 4.554 3.171 1.00 0.41 H new ATOM 682 P DC B 22 0.278 9.152 1.450 1.00 0.66 P ATOM 683 OP1 DC B 22 0.630 8.551 0.135 1.00 1.60 O ATOM 684 OP2 DC B 22 -1.192 9.238 1.259 1.00 1.32 O ATOM 685 O5' DC B 22 1.245 7.917 1.837 1.00 0.63 O ATOM 686 C5' DC B 22 2.557 8.183 2.374 1.00 0.98 C ATOM 687 C4' DC B 22 3.564 7.053 2.126 1.00 0.88 C ATOM 688 O4' DC B 22 2.991 5.764 2.423 1.00 0.69 O ATOM 689 C3' DC B 22 4.044 7.030 0.677 1.00 0.94 C ATOM 690 O3' DC B 22 5.421 7.423 0.589 1.00 1.04 O ATOM 691 C2' DC B 22 3.868 5.610 0.208 1.00 0.81 C ATOM 692 C1' DC B 22 3.374 4.815 1.403 1.00 0.66 C ATOM 693 N1 DC B 22 2.228 3.965 1.029 1.00 0.58 N ATOM 694 C2 DC B 22 2.362 2.587 1.147 1.00 0.57 C ATOM 695 O2 DC B 22 3.441 2.091 1.464 1.00 0.62 O ATOM 696 N3 DC B 22 1.276 1.811 0.868 1.00 0.55 N ATOM 697 C4 DC B 22 0.114 2.364 0.487 1.00 0.55 C ATOM 698 N4 DC B 22 -0.939 1.587 0.229 1.00 0.59 N ATOM 699 C5 DC B 22 -0.017 3.777 0.360 1.00 0.55 C ATOM 700 C6 DC B 22 1.057 4.532 0.634 1.00 0.57 C ATOM 0 H5' DC B 22 2.473 8.354 3.447 1.00 0.98 H new ATOM 0 H5'' DC B 22 2.941 9.103 1.934 1.00 0.98 H new ATOM 0 H4' DC B 22 4.407 7.250 2.789 1.00 0.88 H new ATOM 0 H3' DC B 22 3.479 7.729 0.061 1.00 0.94 H new ATOM 0 H2' DC B 22 3.153 5.559 -0.613 1.00 0.81 H new ATOM 0 H2'' DC B 22 4.809 5.206 -0.164 1.00 0.81 H new ATOM 0 HO3' DC B 22 5.709 7.400 -0.348 1.00 1.04 H new ATOM 0 H1' DC B 22 4.159 4.153 1.770 1.00 0.66 H new ATOM 0 H41 DC B 22 -1.823 2.006 -0.061 1.00 0.59 H new ATOM 0 H42 DC B 22 -0.860 0.574 0.321 1.00 0.59 H new ATOM 0 H5 DC B 22 -0.950 4.225 0.053 1.00 0.55 H new ATOM 0 H6 DC B 22 0.991 5.606 0.540 1.00 0.57 H new TER 713 DC B 22 CONECT 103 127 CONECT 127 103 128 129 130 CONECT 128 127 CONECT 129 127 CONECT 130 127 131 CONECT 131 130 132 158 159 CONECT 132 131 133 134 160 CONECT 133 132 137 CONECT 134 132 135 136 161 CONECT 135 134 177 CONECT 136 134 137 162 163 CONECT 137 133 136 138 164 CONECT 138 137 139 148 CONECT 139 138 140 165 CONECT 140 139 141 CONECT 141 140 142 148 CONECT 142 141 143 144 CONECT 143 142 CONECT 144 142 145 166 CONECT 145 144 146 147 CONECT 146 145 149 167 CONECT 147 145 148 CONECT 148 138 141 147 CONECT 149 146 150 152 168 CONECT 150 149 151 169 170 CONECT 151 150 171 CONECT 152 149 153 154 CONECT 153 152 155 172 CONECT 154 152 156 173 CONECT 155 153 157 174 CONECT 156 154 157 175 CONECT 157 155 156 176 CONECT 158 131 CONECT 159 131 CONECT 160 132 CONECT 161 134 CONECT 162 136 CONECT 163 136 CONECT 164 137 CONECT 165 139 CONECT 166 144 CONECT 167 146 CONECT 168 149 CONECT 169 150 CONECT 170 150 CONECT 171 151 CONECT 172 153 CONECT 173 154 CONECT 174 155 CONECT 175 156 CONECT 176 157 CONECT 177 135 END