USER MOD reduce.3.24.130724 H: found=0, std=0, add=228, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 228 hydrogens (0 hets) HEADER DNA 01-DEC-03 1RN9 TITLE A SHORT LEXITROPSIN THAT RECOGNIZES THE DNA MINOR GROOVE AT TITLE 2 5'-ACTAGT-3': UNDERSTANDING THE ROLE OF ISOPROPYL-THIAZOLE COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3'; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SYNTHESIZED ON SOLID PHASE KEYWDS DOUBLE HELIX, DNA EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR N.G.ANTHONY,B.F.JOHNSTON,A.I.KHALAF,S.P.MACKAY, AUTHOR 2 J.A.PARKINSON,C.J.SUCKLING,R.D.WAIGH REVDAT 3 24-FEB-09 1RN9 1 VERSN REVDAT 2 05-OCT-04 1RN9 1 JRNL REVDAT 1 24-AUG-04 1RN9 0 JRNL AUTH N.G.ANTHONY,B.F.JOHNSTON,A.I.KHALAF,S.P.MACKAY, JRNL AUTH 2 J.A.PARKINSON,C.J.SUCKLING,R.D.WAIGH JRNL TITL SHORT LEXITROPSIN THAT RECOGNIZES THE DNA MINOR JRNL TITL 2 GROOVE AT 5'-ACTAGT-3': UNDERSTANDING THE ROLE OF JRNL TITL 3 ISOPROPYL-THIAZOLE. JRNL REF J.AM.CHEM.SOC. V. 126 11338 2004 JRNL REFN ISSN 0002-7863 JRNL PMID 15355117 JRNL DOI 10.1021/JA030658N REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : SYBYL 6.3 REMARK 3 AUTHORS : TRIPOS INC. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 514 NOE RESTRAINTS DEFINED FOR THE REMARK 3 DECAMER DUPLEX REMARK 4 REMARK 4 1RN9 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-DEC-03. REMARK 100 THE RCSB ID CODE IS RCSB020900. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100MM NACL REMARK 210 PRESSURE : 1ATM REMARK 210 SAMPLE CONTENTS : 2.4MM DNA DUPLEX, 90% H2O, REMARK 210 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY, 2D NOESY, DQF-COSY, REMARK 210 2D ROESY, P-H COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 600 MHZ, 400 MHZ REMARK 210 SPECTROMETER MODEL : INOVA, AVANCE, AMX REMARK 210 SPECTROMETER MANUFACTURER : VARIAN, BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : MARDIGRAS 1.0, XWINNMR 3.0, REMARK 210 VNMR 6, SPARKY 3 REMARK 210 METHOD USED : RESTRAINED MOLECULAR DYNAMICS 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 LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DC A 1 C2 DC A 1 N3 0.088 REMARK 500 DC A 1 N3 DC A 1 C4 -0.067 REMARK 500 DG A 2 C2 DG A 2 N3 -0.051 REMARK 500 DG A 2 N3 DG A 2 C4 0.091 REMARK 500 DG A 2 C4 DG A 2 C5 -0.051 REMARK 500 DG A 2 C5 DG A 2 N7 0.050 REMARK 500 DG A 2 N7 DG A 2 C8 -0.046 REMARK 500 DG A 2 C8 DG A 2 N9 -0.068 REMARK 500 DG A 2 N9 DG A 2 C4 -0.064 REMARK 500 DA A 3 C5 DA A 3 N7 -0.046 REMARK 500 DA A 3 N7 DA A 3 C8 -0.046 REMARK 500 DA A 3 C8 DA A 3 N9 -0.067 REMARK 500 DC A 4 C2 DC A 4 N3 0.087 REMARK 500 DC A 4 N3 DC A 4 C4 -0.068 REMARK 500 DA A 6 C5 DA A 6 N7 -0.045 REMARK 500 DA A 6 N7 DA A 6 C8 -0.047 REMARK 500 DA A 6 C8 DA A 6 N9 -0.068 REMARK 500 DG A 7 C2 DG A 7 N3 -0.049 REMARK 500 DG A 7 N3 DG A 7 C4 0.091 REMARK 500 DG A 7 C4 DG A 7 C5 -0.049 REMARK 500 DG A 7 C6 DG A 7 N1 -0.042 REMARK 500 DG A 7 C5 DG A 7 N7 0.050 REMARK 500 DG A 7 N7 DG A 7 C8 -0.047 REMARK 500 DG A 7 C8 DG A 7 N9 -0.071 REMARK 500 DG A 7 N9 DG A 7 C4 -0.063 REMARK 500 DC A 9 C2 DC A 9 N3 0.089 REMARK 500 DC A 9 N3 DC A 9 C4 -0.065 REMARK 500 DG A 10 C2 DG A 10 N3 -0.051 REMARK 500 DG A 10 N3 DG A 10 C4 0.091 REMARK 500 DG A 10 C4 DG A 10 C5 -0.050 REMARK 500 DG A 10 C5 DG A 10 N7 0.049 REMARK 500 DG A 10 N7 DG A 10 C8 -0.047 REMARK 500 DG A 10 C8 DG A 10 N9 -0.071 REMARK 500 DG A 10 N9 DG A 10 C4 -0.064 REMARK 500 DC B 11 C2 DC B 11 N3 0.086 REMARK 500 DC B 11 N3 DC B 11 C4 -0.067 REMARK 500 DG B 12 C2 DG B 12 N3 -0.049 REMARK 500 DG B 12 N3 DG B 12 C4 0.092 REMARK 500 DG B 12 C4 DG B 12 C5 -0.050 REMARK 500 DG B 12 C5 DG B 12 N7 0.050 REMARK 500 DG B 12 N7 DG B 12 C8 -0.046 REMARK 500 DG B 12 C8 DG B 12 N9 -0.070 REMARK 500 DG B 12 N9 DG B 12 C4 -0.061 REMARK 500 DA B 13 C5 DA B 13 N7 -0.044 REMARK 500 DA B 13 N7 DA B 13 C8 -0.045 REMARK 500 DA B 13 C8 DA B 13 N9 -0.068 REMARK 500 DC B 14 C2 DC B 14 N3 0.087 REMARK 500 DC B 14 N3 DC B 14 C4 -0.066 REMARK 500 DA B 16 C5 DA B 16 N7 -0.045 REMARK 500 DA B 16 N7 DA B 16 C8 -0.044 REMARK 500 REMARK 500 THIS ENTRY HAS 68 BOND DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DC A 1 O4' - C4' - C3' ANGL. DEV. = -2.7 DEGREES REMARK 500 DC A 1 N3 - C4 - C5 ANGL. DEV. = -4.6 DEGREES REMARK 500 DC A 1 C4 - C5 - C6 ANGL. DEV. = 3.1 DEGREES REMARK 500 DC A 1 N1 - C2 - O2 ANGL. DEV. = 5.0 DEGREES REMARK 500 DC A 1 N3 - C2 - O2 ANGL. DEV. = -6.6 DEGREES REMARK 500 DC A 1 N3 - C4 - N4 ANGL. DEV. = 4.2 DEGREES REMARK 500 DG A 2 OP1 - P - OP2 ANGL. DEV. = -12.2 DEGREES REMARK 500 DG A 2 C2 - N3 - C4 ANGL. DEV. = 9.0 DEGREES REMARK 500 DG A 2 N3 - C4 - C5 ANGL. DEV. = -9.3 DEGREES REMARK 500 DG A 2 C5 - C6 - N1 ANGL. DEV. = 5.1 DEGREES REMARK 500 DG A 2 C4 - C5 - N7 ANGL. DEV. = -9.3 DEGREES REMARK 500 DG A 2 C5 - N7 - C8 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 2 N9 - C4 - C5 ANGL. DEV. = 6.1 DEGREES REMARK 500 DG A 2 C6 - C5 - N7 ANGL. DEV. = 8.9 DEGREES REMARK 500 DG A 2 C5 - C6 - O6 ANGL. DEV. = -8.3 DEGREES REMARK 500 DA A 3 OP1 - P - OP2 ANGL. DEV. = -11.7 DEGREES REMARK 500 DA A 3 O4' - C1' - C2' ANGL. DEV. = -5.1 DEGREES REMARK 500 DA A 3 N1 - C2 - N3 ANGL. DEV. = -7.7 DEGREES REMARK 500 DA A 3 C2 - N3 - C4 ANGL. DEV. = 7.6 DEGREES REMARK 500 DA A 3 N3 - C4 - C5 ANGL. DEV. = -6.4 DEGREES REMARK 500 DA A 3 C4 - C5 - C6 ANGL. DEV. = 3.9 DEGREES REMARK 500 DA A 3 C4 - C5 - N7 ANGL. DEV. = -4.8 DEGREES REMARK 500 DA A 3 C5 - N7 - C8 ANGL. DEV. = 5.4 DEGREES REMARK 500 DA A 3 N3 - C4 - N9 ANGL. DEV. = 6.3 DEGREES REMARK 500 DC A 4 OP1 - P - OP2 ANGL. DEV. = -11.3 DEGREES REMARK 500 DC A 4 O4' - C1' - C2' ANGL. DEV. = -7.2 DEGREES REMARK 500 DC A 4 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES REMARK 500 DC A 4 N3 - C4 - C5 ANGL. DEV. = -4.7 DEGREES REMARK 500 DC A 4 C4 - C5 - C6 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC A 4 N1 - C2 - O2 ANGL. DEV. = 5.4 DEGREES REMARK 500 DC A 4 N3 - C2 - O2 ANGL. DEV. = -7.3 DEGREES REMARK 500 DT A 5 OP1 - P - OP2 ANGL. DEV. = -11.4 DEGREES REMARK 500 DT A 5 N1 - C2 - N3 ANGL. DEV. = 4.8 DEGREES REMARK 500 DT A 5 C2 - N3 - C4 ANGL. DEV. = -4.5 DEGREES REMARK 500 DT A 5 C5 - C4 - O4 ANGL. DEV. = -4.4 DEGREES REMARK 500 DC A 4 C3' - O3' - P ANGL. DEV. = 7.8 DEGREES REMARK 500 DA A 6 OP1 - P - OP2 ANGL. DEV. = -12.0 DEGREES REMARK 500 DA A 6 O4' - C1' - C2' ANGL. DEV. = -4.9 DEGREES REMARK 500 DA A 6 N1 - C2 - N3 ANGL. DEV. = -7.5 DEGREES REMARK 500 DA A 6 C2 - N3 - C4 ANGL. DEV. = 7.3 DEGREES REMARK 500 DA A 6 N3 - C4 - C5 ANGL. DEV. = -6.0 DEGREES REMARK 500 DA A 6 C4 - C5 - C6 ANGL. DEV. = 3.9 DEGREES REMARK 500 DA A 6 C4 - C5 - N7 ANGL. DEV. = -4.6 DEGREES REMARK 500 DA A 6 C5 - N7 - C8 ANGL. DEV. = 5.1 DEGREES REMARK 500 DA A 6 N3 - C4 - N9 ANGL. DEV. = 5.9 DEGREES REMARK 500 DG A 7 OP1 - P - OP2 ANGL. DEV. = -13.7 DEGREES REMARK 500 DG A 7 O4' - C1' - C2' ANGL. DEV. = -5.7 DEGREES REMARK 500 DG A 7 C2 - N3 - C4 ANGL. DEV. = 8.8 DEGREES REMARK 500 DG A 7 N3 - C4 - C5 ANGL. DEV. = -9.3 DEGREES REMARK 500 DG A 7 C5 - C6 - N1 ANGL. DEV. = 5.2 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 153 ANGLE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DC A 9 0.07 SIDE_CHAIN REMARK 500 DA B 16 0.08 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1RMX RELATED DB: PDB REMARK 900 A SHORT LEXITROPSIN THAT RECOGNIZES THE DNA MINOR GROOVE AT REMARK 900 5'-ACTAGT-3': UNDERSTANDING THE ROLE OF ISOPROPYL-THIAZOLE DBREF 1RN9 A 1 10 PDB 1RN9 1RN9 1 10 DBREF 1RN9 B 11 20 PDB 1RN9 1RN9 11 20 SEQRES 1 A 10 DC DG DA DC DT DA DG DT DC DG SEQRES 1 B 10 DC DG DA DC DT DA DG DT DC DG CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 180:sc=-0.00519 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.0978 (180deg=-0.0978) USER MOD Single : A 10 DG O3' : rot 180:sc= 0 USER MOD Single : B 11 DC O5' : rot 180:sc= 0 USER MOD Single : B 15 DT C7 :methyl -30:sc= 0 (180deg=-1.04) USER MOD Single : B 18 DT C7 :methyl 150:sc= -0.2 (180deg=-0.2) USER MOD Single : B 20 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 0.507 9.203 12.880 1.00 -0.46 O ATOM 2 C5' DC A 1 1.264 9.061 14.097 1.00 0.05 C ATOM 3 C4' DC A 1 1.627 7.576 14.354 1.00 0.10 C ATOM 4 O4' DC A 1 0.432 6.787 14.432 1.00 -0.27 O ATOM 5 C3' DC A 1 2.371 6.908 13.176 1.00 0.13 C ATOM 6 O3' DC A 1 3.792 7.067 13.279 1.00 0.09 O ATOM 7 C2' DC A 1 1.916 5.427 13.238 1.00 -0.04 C ATOM 8 C1' DC A 1 0.813 5.407 14.324 1.00 0.14 C ATOM 9 N1 DC A 1 -0.360 4.636 13.926 1.00 0.02 N ATOM 10 C2 DC A 1 -0.680 3.478 14.530 1.00 0.43 C ATOM 11 O2 DC A 1 -0.012 2.964 15.411 1.00 -0.41 O ATOM 12 N3 DC A 1 -1.868 2.753 14.157 1.00 -0.68 N ATOM 13 C4 DC A 1 -2.638 3.179 13.244 1.00 0.44 C ATOM 14 N4 DC A 1 -3.740 2.573 12.930 1.00 -0.44 N ATOM 15 C5 DC A 1 -2.241 4.412 12.547 1.00 -0.20 C ATOM 16 C6 DC A 1 -1.143 5.079 12.919 1.00 0.22 C ATOM 0 H5' DC A 1 0.687 9.449 14.936 1.00 0.05 H new ATOM 0 H5'' DC A 1 2.175 9.656 14.035 1.00 0.05 H new ATOM 0 H4' DC A 1 2.234 7.601 15.259 1.00 0.10 H new ATOM 0 H3' DC A 1 2.133 7.361 12.214 1.00 0.13 H new ATOM 0 H2' DC A 1 1.532 5.089 12.276 1.00 -0.04 H new ATOM 0 H2'' DC A 1 2.744 4.768 13.500 1.00 -0.04 H new ATOM 0 HO5' DC A 1 0.288 10.148 12.739 1.00 -0.46 H new ATOM 0 H1' DC A 1 1.178 4.951 15.244 1.00 0.14 H new ATOM 0 H41 DC A 1 -4.334 2.946 12.189 1.00 -0.44 H new ATOM 0 H42 DC A 1 -4.013 1.723 13.423 1.00 -0.44 H new ATOM 0 H5 DC A 1 -2.841 4.782 11.728 1.00 -0.20 H new ATOM 0 H6 DC A 1 -0.877 5.990 12.404 1.00 0.22 H new ATOM 29 P DG A 2 4.819 6.476 12.199 1.00 -1.31 P ATOM 30 OP1 DG A 2 6.059 7.303 12.219 1.00 0.35 O ATOM 31 OP2 DG A 2 4.237 6.578 10.830 1.00 0.35 O ATOM 32 O5' DG A 2 5.189 4.954 12.519 1.00 0.10 O ATOM 33 C5' DG A 2 5.926 4.563 13.679 1.00 0.08 C ATOM 34 C4' DG A 2 6.202 3.041 13.648 1.00 0.10 C ATOM 35 O4' DG A 2 4.926 2.383 13.583 1.00 -0.27 O ATOM 36 C3' DG A 2 6.992 2.606 12.390 1.00 0.13 C ATOM 37 O3' DG A 2 7.782 1.447 12.682 1.00 0.09 O ATOM 38 C2' DG A 2 5.875 2.291 11.374 1.00 -0.04 C ATOM 39 C1' DG A 2 4.743 1.772 12.296 1.00 0.14 C ATOM 40 N9 DG A 2 3.374 2.020 11.860 1.00 0.00 N ATOM 41 C8 DG A 2 2.936 3.032 11.160 1.00 0.23 C ATOM 42 N7 DG A 2 1.697 2.922 10.964 1.00 -0.55 N ATOM 43 C5 DG A 2 1.231 1.714 11.590 1.00 0.00 C ATOM 44 C6 DG A 2 -0.014 0.968 11.769 1.00 0.33 C ATOM 45 O6 DG A 2 -1.054 1.380 11.283 1.00 -0.40 O ATOM 46 N1 DG A 2 0.063 -0.172 12.489 1.00 -0.15 N ATOM 47 C2 DG A 2 1.220 -0.618 13.036 1.00 0.57 C ATOM 48 N2 DG A 2 1.208 -1.706 13.744 1.00 -0.42 N ATOM 49 N3 DG A 2 2.313 0.012 12.873 1.00 -0.67 N ATOM 50 C4 DG A 2 2.353 1.240 12.120 1.00 0.29 C ATOM 0 H5' DG A 2 5.366 4.820 14.578 1.00 0.08 H new ATOM 0 H5'' DG A 2 6.868 5.110 13.722 1.00 0.08 H new ATOM 0 H4' DG A 2 6.787 2.783 14.531 1.00 0.10 H new ATOM 0 H3' DG A 2 7.692 3.356 12.023 1.00 0.13 H new ATOM 0 H2' DG A 2 5.572 3.175 10.813 1.00 -0.04 H new ATOM 0 H2'' DG A 2 6.185 1.542 10.646 1.00 -0.04 H new ATOM 0 H1' DG A 2 4.838 0.686 12.294 1.00 0.14 H new ATOM 0 H8 DG A 2 3.548 3.846 10.801 1.00 0.23 H new ATOM 0 H1 DG A 2 -0.786 -0.721 12.627 1.00 -0.15 H new ATOM 0 H21 DG A 2 2.072 -2.053 14.161 1.00 -0.42 H new ATOM 0 H22 DG A 2 0.335 -2.214 13.883 1.00 -0.42 H new ATOM 62 P DA A 3 8.643 0.676 11.572 1.00 -1.31 P ATOM 63 OP1 DA A 3 9.876 0.109 12.191 1.00 0.35 O ATOM 64 OP2 DA A 3 9.061 1.592 10.472 1.00 0.35 O ATOM 65 O5' DA A 3 7.743 -0.503 10.980 1.00 0.10 O ATOM 66 C5' DA A 3 7.333 -1.575 11.833 1.00 0.08 C ATOM 67 C4' DA A 3 6.457 -2.544 11.016 1.00 0.10 C ATOM 68 O4' DA A 3 5.270 -1.846 10.625 1.00 -0.27 O ATOM 69 C3' DA A 3 7.104 -2.999 9.682 1.00 0.13 C ATOM 70 O3' DA A 3 7.488 -4.378 9.782 1.00 0.09 O ATOM 71 C2' DA A 3 5.990 -2.728 8.637 1.00 -0.04 C ATOM 72 C1' DA A 3 4.721 -2.519 9.492 1.00 0.14 C ATOM 73 N9 DA A 3 3.776 -1.610 8.874 1.00 -0.01 N ATOM 74 C8 DA A 3 3.982 -0.341 8.646 1.00 0.30 C ATOM 75 N7 DA A 3 2.973 0.199 8.106 1.00 -0.56 N ATOM 76 C5 DA A 3 2.001 -0.716 7.965 1.00 0.12 C ATOM 77 C6 DA A 3 0.713 -0.662 7.443 1.00 0.38 C ATOM 78 N6 DA A 3 0.238 0.450 6.848 1.00 -0.44 N ATOM 79 N1 DA A 3 -0.029 -1.784 7.557 1.00 -0.50 N ATOM 80 C2 DA A 3 0.468 -2.917 8.111 1.00 0.27 C ATOM 81 N3 DA A 3 1.765 -3.013 8.485 1.00 -0.49 N ATOM 82 C4 DA A 3 2.514 -1.896 8.472 1.00 0.29 C ATOM 0 H5' DA A 3 6.775 -1.188 12.686 1.00 0.08 H new ATOM 0 H5'' DA A 3 8.204 -2.096 12.231 1.00 0.08 H new ATOM 0 H4' DA A 3 6.292 -3.413 11.653 1.00 0.10 H new ATOM 0 H3' DA A 3 8.022 -2.478 9.411 1.00 0.13 H new ATOM 0 H2' DA A 3 6.214 -1.849 8.033 1.00 -0.04 H new ATOM 0 H2'' DA A 3 5.875 -3.566 7.949 1.00 -0.04 H new ATOM 0 H1' DA A 3 4.185 -3.451 9.672 1.00 0.14 H new ATOM 0 H8 DA A 3 4.896 0.181 8.887 1.00 0.30 H new ATOM 0 H61 DA A 3 -0.711 0.462 6.474 1.00 -0.44 H new ATOM 0 H62 DA A 3 0.827 1.279 6.772 1.00 -0.44 H new ATOM 0 H2 DA A 3 -0.187 -3.763 8.257 1.00 0.27 H new ATOM 94 P DC A 4 7.958 -5.305 8.563 1.00 -1.31 P ATOM 95 OP1 DC A 4 8.694 -6.491 9.086 1.00 0.35 O ATOM 96 OP2 DC A 4 8.865 -4.560 7.644 1.00 0.35 O ATOM 97 O5' DC A 4 6.638 -5.766 7.788 1.00 0.10 O ATOM 98 C5' DC A 4 5.569 -6.366 8.527 1.00 0.08 C ATOM 99 C4' DC A 4 4.282 -6.422 7.676 1.00 0.10 C ATOM 100 O4' DC A 4 3.747 -5.111 7.416 1.00 -0.27 O ATOM 101 C3' DC A 4 4.471 -7.038 6.267 1.00 0.13 C ATOM 102 O3' DC A 4 3.907 -8.358 6.252 1.00 0.09 O ATOM 103 C2' DC A 4 3.706 -6.046 5.357 1.00 -0.04 C ATOM 104 C1' DC A 4 2.819 -5.238 6.327 1.00 0.14 C ATOM 105 N1 DC A 4 2.404 -3.946 5.783 1.00 0.02 N ATOM 106 C2 DC A 4 1.149 -3.746 5.336 1.00 0.43 C ATOM 107 O2 DC A 4 0.270 -4.592 5.351 1.00 -0.41 O ATOM 108 N3 DC A 4 0.746 -2.471 4.801 1.00 -0.68 N ATOM 109 C4 DC A 4 1.559 -1.502 4.722 1.00 0.44 C ATOM 110 N4 DC A 4 1.211 -0.346 4.253 1.00 -0.44 N ATOM 111 C5 DC A 4 2.930 -1.734 5.205 1.00 -0.20 C ATOM 112 C6 DC A 4 3.283 -2.924 5.704 1.00 0.22 C ATOM 0 H5' DC A 4 5.385 -5.796 9.437 1.00 0.08 H new ATOM 0 H5'' DC A 4 5.852 -7.373 8.834 1.00 0.08 H new ATOM 0 H4' DC A 4 3.623 -7.042 8.284 1.00 0.10 H new ATOM 0 H3' DC A 4 5.506 -7.160 5.948 1.00 0.13 H new ATOM 0 H2' DC A 4 4.392 -5.397 4.812 1.00 -0.04 H new ATOM 0 H2'' DC A 4 3.106 -6.571 4.614 1.00 -0.04 H new ATOM 0 H1' DC A 4 1.862 -5.696 6.575 1.00 0.14 H new ATOM 0 H41 DC A 4 1.893 0.411 4.205 1.00 -0.44 H new ATOM 0 H42 DC A 4 0.255 -0.193 3.932 1.00 -0.44 H new ATOM 0 H5 DC A 4 3.657 -0.937 5.156 1.00 -0.20 H new ATOM 0 H6 DC A 4 4.295 -3.071 6.052 1.00 0.22 H new ATOM 124 P DT A 5 3.645 -9.292 4.977 1.00 -1.31 P ATOM 125 OP1 DT A 5 3.754 -10.722 5.382 1.00 0.35 O ATOM 126 OP2 DT A 5 4.651 -9.033 3.906 1.00 0.35 O ATOM 127 O5' DT A 5 2.171 -8.997 4.429 1.00 0.10 O ATOM 128 C5' DT A 5 1.025 -9.278 5.239 1.00 0.08 C ATOM 129 C4' DT A 5 -0.216 -8.649 4.570 1.00 0.10 C ATOM 130 O4' DT A 5 0.127 -7.278 4.328 1.00 -0.27 O ATOM 131 C3' DT A 5 -0.548 -9.244 3.177 1.00 0.13 C ATOM 132 O3' DT A 5 -1.902 -9.722 3.145 1.00 0.09 O ATOM 133 C2' DT A 5 -0.364 -8.050 2.214 1.00 -0.04 C ATOM 134 C1' DT A 5 -0.550 -6.836 3.150 1.00 0.14 C ATOM 135 N1 DT A 5 0.090 -5.598 2.700 1.00 -0.04 N ATOM 136 C2 DT A 5 -0.652 -4.484 2.522 1.00 0.43 C ATOM 137 O2 DT A 5 -1.867 -4.512 2.630 1.00 -0.41 O ATOM 138 N3 DT A 5 -0.044 -3.334 2.207 1.00 -0.25 N ATOM 139 C4 DT A 5 1.274 -3.248 1.992 1.00 0.32 C ATOM 140 O4 DT A 5 1.806 -2.192 1.688 1.00 -0.39 O ATOM 141 C5 DT A 5 2.073 -4.477 2.120 1.00 -0.15 C ATOM 142 C7 DT A 5 3.559 -4.483 1.843 1.00 -0.07 C ATOM 143 C6 DT A 5 1.426 -5.588 2.487 1.00 0.10 C ATOM 0 H5' DT A 5 1.161 -8.872 6.241 1.00 0.08 H new ATOM 0 H5'' DT A 5 0.892 -10.355 5.346 1.00 0.08 H new ATOM 0 H4' DT A 5 -1.071 -8.819 5.224 1.00 0.10 H new ATOM 0 H3' DT A 5 0.082 -10.095 2.916 1.00 0.13 H new ATOM 0 H2' DT A 5 0.620 -8.054 1.745 1.00 -0.04 H new ATOM 0 H2'' DT A 5 -1.100 -8.059 1.410 1.00 -0.04 H new ATOM 0 H1' DT A 5 -1.606 -6.580 3.241 1.00 0.14 H new ATOM 0 H3 DT A 5 -0.609 -2.488 2.128 1.00 -0.25 H new ATOM 0 H71 DT A 5 4.041 -5.242 2.460 1.00 -0.07 H new ATOM 0 H72 DT A 5 3.732 -4.707 0.790 1.00 -0.07 H new ATOM 0 H73 DT A 5 3.977 -3.504 2.079 1.00 -0.07 H new ATOM 0 H6 DT A 5 1.985 -6.503 2.617 1.00 0.10 H new ATOM 156 P DA A 6 -2.602 -10.307 1.827 1.00 -1.31 P ATOM 157 OP1 DA A 6 -3.644 -11.298 2.219 1.00 0.35 O ATOM 158 OP2 DA A 6 -1.603 -11.015 0.975 1.00 0.35 O ATOM 159 O5' DA A 6 -3.269 -9.118 0.987 1.00 0.10 O ATOM 160 C5' DA A 6 -4.353 -8.360 1.534 1.00 0.08 C ATOM 161 C4' DA A 6 -4.865 -7.285 0.545 1.00 0.10 C ATOM 162 O4' DA A 6 -3.985 -6.159 0.610 1.00 -0.27 O ATOM 163 C3' DA A 6 -4.869 -7.703 -0.951 1.00 0.13 C ATOM 164 O3' DA A 6 -6.199 -7.777 -1.489 1.00 0.09 O ATOM 165 C2' DA A 6 -4.016 -6.612 -1.640 1.00 -0.04 C ATOM 166 C1' DA A 6 -4.045 -5.446 -0.629 1.00 0.14 C ATOM 167 N9 DA A 6 -2.822 -4.669 -0.654 1.00 -0.01 N ATOM 168 C8 DA A 6 -1.661 -5.092 -0.233 1.00 0.30 C ATOM 169 N7 DA A 6 -0.773 -4.197 -0.329 1.00 -0.56 N ATOM 170 C5 DA A 6 -1.330 -3.081 -0.826 1.00 0.12 C ATOM 171 C6 DA A 6 -0.825 -1.818 -1.116 1.00 0.38 C ATOM 172 N6 DA A 6 0.485 -1.524 -0.984 1.00 -0.44 N ATOM 173 N1 DA A 6 -1.726 -0.897 -1.530 1.00 -0.50 N ATOM 174 C2 DA A 6 -3.040 -1.196 -1.692 1.00 0.27 C ATOM 175 N3 DA A 6 -3.514 -2.448 -1.507 1.00 -0.49 N ATOM 176 C4 DA A 6 -2.667 -3.378 -1.032 1.00 0.29 C ATOM 0 H5' DA A 6 -4.030 -7.879 2.457 1.00 0.08 H new ATOM 0 H5'' DA A 6 -5.171 -9.032 1.794 1.00 0.08 H new ATOM 0 H4' DA A 6 -5.894 -7.092 0.849 1.00 0.10 H new ATOM 0 H3' DA A 6 -4.466 -8.704 -1.106 1.00 0.13 H new ATOM 0 H2' DA A 6 -2.999 -6.956 -1.828 1.00 -0.04 H new ATOM 0 H2'' DA A 6 -4.437 -6.320 -2.602 1.00 -0.04 H new ATOM 0 H1' DA A 6 -4.887 -4.778 -0.809 1.00 0.14 H new ATOM 0 H8 DA A 6 -1.481 -6.085 0.151 1.00 0.30 H new ATOM 0 H61 DA A 6 0.822 -0.587 -1.205 1.00 -0.44 H new ATOM 0 H62 DA A 6 1.138 -2.239 -0.663 1.00 -0.44 H new ATOM 0 H2 DA A 6 -3.726 -0.412 -1.977 1.00 0.27 H new ATOM 188 P DG A 7 -7.413 -6.734 -1.579 1.00 -1.31 P ATOM 189 OP1 DG A 7 -7.923 -6.334 -0.237 1.00 0.35 O ATOM 190 OP2 DG A 7 -8.545 -7.430 -2.255 1.00 0.35 O ATOM 191 O5' DG A 7 -7.044 -5.404 -2.390 1.00 0.10 O ATOM 192 C5' DG A 7 -6.996 -5.352 -3.818 1.00 0.08 C ATOM 193 C4' DG A 7 -6.758 -3.890 -4.257 1.00 0.10 C ATOM 194 O4' DG A 7 -5.480 -3.467 -3.752 1.00 -0.27 O ATOM 195 C3' DG A 7 -6.671 -3.749 -5.797 1.00 0.13 C ATOM 196 O3' DG A 7 -7.532 -2.684 -6.222 1.00 0.09 O ATOM 197 C2' DG A 7 -5.187 -3.398 -6.017 1.00 -0.04 C ATOM 198 C1' DG A 7 -4.834 -2.633 -4.726 1.00 0.14 C ATOM 199 N9 DG A 7 -3.404 -2.639 -4.463 1.00 0.00 N ATOM 200 C8 DG A 7 -2.734 -3.685 -4.071 1.00 0.23 C ATOM 201 N7 DG A 7 -1.522 -3.390 -3.909 1.00 -0.55 N ATOM 202 C5 DG A 7 -1.339 -1.996 -4.213 1.00 0.00 C ATOM 203 C6 DG A 7 -0.264 -1.004 -4.253 1.00 0.33 C ATOM 204 O6 DG A 7 0.888 -1.312 -3.997 1.00 -0.40 O ATOM 205 N1 DG A 7 -0.609 0.250 -4.611 1.00 -0.15 N ATOM 206 C2 DG A 7 -1.879 0.598 -4.925 1.00 0.57 C ATOM 207 N2 DG A 7 -2.122 1.831 -5.252 1.00 -0.42 N ATOM 208 N3 DG A 7 -2.824 -0.256 -4.912 1.00 -0.67 N ATOM 209 C4 DG A 7 -2.574 -1.626 -4.541 1.00 0.29 C ATOM 0 H5' DG A 7 -7.929 -5.725 -4.240 1.00 0.08 H new ATOM 0 H5'' DG A 7 -6.198 -5.993 -4.192 1.00 0.08 H new ATOM 0 H4' DG A 7 -7.592 -3.299 -3.879 1.00 0.10 H new ATOM 0 H3' DG A 7 -6.979 -4.633 -6.355 1.00 0.13 H new ATOM 0 H2' DG A 7 -4.573 -4.290 -6.142 1.00 -0.04 H new ATOM 0 H2'' DG A 7 -5.042 -2.784 -6.906 1.00 -0.04 H new ATOM 0 H1' DG A 7 -5.130 -1.584 -4.747 1.00 0.14 H new ATOM 0 H8 DG A 7 -3.158 -4.665 -3.908 1.00 0.23 H new ATOM 0 H1 DG A 7 0.117 0.966 -4.647 1.00 -0.15 H new ATOM 0 H21 DG A 7 -3.071 2.117 -5.493 1.00 -0.42 H new ATOM 0 H22 DG A 7 -1.364 2.513 -5.268 1.00 -0.42 H new ATOM 221 P DT A 8 -7.600 -2.069 -7.699 1.00 -1.31 P ATOM 222 OP1 DT A 8 -9.009 -1.696 -8.010 1.00 0.35 O ATOM 223 OP2 DT A 8 -7.153 -3.057 -8.722 1.00 0.35 O ATOM 224 O5' DT A 8 -6.671 -0.767 -7.749 1.00 0.10 O ATOM 225 C5' DT A 8 -6.936 0.316 -6.851 1.00 0.08 C ATOM 226 C4' DT A 8 -5.966 1.481 -7.138 1.00 0.10 C ATOM 227 O4' DT A 8 -4.617 1.041 -6.931 1.00 -0.27 O ATOM 228 C3' DT A 8 -6.036 1.929 -8.618 1.00 0.13 C ATOM 229 O3' DT A 8 -6.110 3.360 -8.603 1.00 0.09 O ATOM 230 C2' DT A 8 -4.706 1.415 -9.214 1.00 -0.04 C ATOM 231 C1' DT A 8 -3.782 1.536 -7.988 1.00 0.14 C ATOM 232 N1 DT A 8 -2.568 0.715 -7.992 1.00 -0.04 N ATOM 233 C2 DT A 8 -1.359 1.311 -8.100 1.00 0.43 C ATOM 234 O2 DT A 8 -1.254 2.514 -8.271 1.00 -0.41 O ATOM 235 N3 DT A 8 -0.254 0.556 -8.013 1.00 -0.25 N ATOM 236 C4 DT A 8 -0.289 -0.769 -7.848 1.00 0.32 C ATOM 237 O4 DT A 8 0.731 -1.435 -7.785 1.00 -0.39 O ATOM 238 C5 DT A 8 -1.601 -1.416 -7.751 1.00 -0.15 C ATOM 239 C7 DT A 8 -1.669 -2.914 -7.560 1.00 -0.07 C ATOM 240 C6 DT A 8 -2.681 -0.628 -7.833 1.00 0.10 C ATOM 0 H5' DT A 8 -6.823 -0.018 -5.820 1.00 0.08 H new ATOM 0 H5'' DT A 8 -7.967 0.652 -6.966 1.00 0.08 H new ATOM 0 H4' DT A 8 -6.249 2.299 -6.475 1.00 0.10 H new ATOM 0 H3' DT A 8 -6.883 1.556 -9.194 1.00 0.13 H new ATOM 0 H2' DT A 8 -4.783 0.389 -9.575 1.00 -0.04 H new ATOM 0 H2'' DT A 8 -4.365 2.023 -10.052 1.00 -0.04 H new ATOM 0 H1' DT A 8 -3.414 2.560 -7.923 1.00 0.14 H new ATOM 0 H3 DT A 8 0.655 1.015 -8.076 1.00 -0.25 H new ATOM 0 H71 DT A 8 -2.568 -3.169 -7.000 1.00 -0.07 H new ATOM 0 H72 DT A 8 -1.697 -3.404 -8.533 1.00 -0.07 H new ATOM 0 H73 DT A 8 -0.791 -3.251 -7.009 1.00 -0.07 H new ATOM 0 H6 DT A 8 -3.664 -1.071 -7.771 1.00 0.10 H new ATOM 253 P DC A 9 -6.181 4.316 -9.879 1.00 -1.31 P ATOM 254 OP1 DC A 9 -7.195 5.382 -9.637 1.00 0.35 O ATOM 255 OP2 DC A 9 -6.597 3.555 -11.092 1.00 0.35 O ATOM 256 O5' DC A 9 -4.747 4.972 -10.125 1.00 0.10 O ATOM 257 C5' DC A 9 -4.212 6.058 -9.361 1.00 0.08 C ATOM 258 C4' DC A 9 -2.906 6.497 -10.058 1.00 0.10 C ATOM 259 O4' DC A 9 -1.993 5.400 -10.000 1.00 -0.27 O ATOM 260 C3' DC A 9 -3.117 6.767 -11.569 1.00 0.13 C ATOM 261 O3' DC A 9 -3.084 8.182 -11.807 1.00 0.09 O ATOM 262 C2' DC A 9 -1.978 5.974 -12.259 1.00 -0.04 C ATOM 263 C1' DC A 9 -1.080 5.472 -11.103 1.00 0.14 C ATOM 264 N1 DC A 9 -0.578 4.104 -11.233 1.00 0.02 N ATOM 265 C2 DC A 9 0.732 3.828 -11.391 1.00 0.43 C ATOM 266 O2 DC A 9 1.591 4.678 -11.558 1.00 -0.41 O ATOM 267 N3 DC A 9 1.213 2.469 -11.347 1.00 -0.68 N ATOM 268 C4 DC A 9 0.413 1.497 -11.176 1.00 0.44 C ATOM 269 N4 DC A 9 0.817 0.271 -11.054 1.00 -0.44 N ATOM 270 C5 DC A 9 -1.023 1.802 -11.102 1.00 -0.20 C ATOM 271 C6 DC A 9 -1.443 3.071 -11.126 1.00 0.22 C ATOM 0 H5' DC A 9 -4.016 5.748 -8.334 1.00 0.08 H new ATOM 0 H5'' DC A 9 -4.922 6.884 -9.315 1.00 0.08 H new ATOM 0 H4' DC A 9 -2.553 7.401 -9.561 1.00 0.10 H new ATOM 0 H3' DC A 9 -4.081 6.444 -11.962 1.00 0.13 H new ATOM 0 H2' DC A 9 -2.373 5.142 -12.841 1.00 -0.04 H new ATOM 0 H2'' DC A 9 -1.418 6.607 -12.947 1.00 -0.04 H new ATOM 0 H1' DC A 9 -0.212 6.128 -11.037 1.00 0.14 H new ATOM 0 H41 DC A 9 0.139 -0.478 -10.918 1.00 -0.44 H new ATOM 0 H42 DC A 9 1.813 0.056 -11.094 1.00 -0.44 H new ATOM 0 H5 DC A 9 -1.741 0.999 -11.028 1.00 -0.20 H new ATOM 0 H6 DC A 9 -2.501 3.276 -11.058 1.00 0.22 H new ATOM 283 P DG A 10 -3.393 8.920 -13.194 1.00 -1.31 P ATOM 284 OP1 DG A 10 -3.649 10.359 -12.899 1.00 0.35 O ATOM 285 OP2 DG A 10 -4.624 8.357 -13.820 1.00 0.35 O ATOM 286 O5' DG A 10 -2.159 8.762 -14.201 1.00 0.10 O ATOM 287 C5' DG A 10 -1.422 9.866 -14.735 1.00 0.08 C ATOM 288 C4' DG A 10 -0.216 9.323 -15.532 1.00 0.10 C ATOM 289 O4' DG A 10 0.410 8.280 -14.772 1.00 -0.27 O ATOM 290 C3' DG A 10 -0.605 8.634 -16.858 1.00 0.09 C ATOM 291 O3' DG A 10 -0.810 9.587 -17.913 1.00 -0.46 O ATOM 292 C2' DG A 10 0.642 7.755 -17.093 1.00 -0.04 C ATOM 293 C1' DG A 10 1.113 7.398 -15.660 1.00 0.14 C ATOM 294 N9 DG A 10 0.696 6.052 -15.307 1.00 0.00 N ATOM 295 C8 DG A 10 -0.536 5.644 -15.187 1.00 0.23 C ATOM 296 N7 DG A 10 -0.563 4.427 -14.870 1.00 -0.55 N ATOM 297 C5 DG A 10 0.788 3.947 -14.771 1.00 0.00 C ATOM 298 C6 DG A 10 1.494 2.703 -14.483 1.00 0.33 C ATOM 299 O6 DG A 10 0.867 1.686 -14.236 1.00 -0.40 O ATOM 300 N1 DG A 10 2.842 2.759 -14.526 1.00 -0.15 N ATOM 301 C2 DG A 10 3.532 3.892 -14.809 1.00 0.57 C ATOM 302 N2 DG A 10 4.830 3.854 -14.830 1.00 -0.42 N ATOM 303 N3 DG A 10 2.929 4.984 -15.057 1.00 -0.67 N ATOM 304 C4 DG A 10 1.489 5.040 -15.053 1.00 0.29 C ATOM 0 H5' DG A 10 -1.080 10.516 -13.930 1.00 0.08 H new ATOM 0 H5'' DG A 10 -2.061 10.468 -15.381 1.00 0.08 H new ATOM 0 H4' DG A 10 0.414 10.190 -15.730 1.00 0.10 H new ATOM 0 H3' DG A 10 -1.544 8.081 -16.829 1.00 0.09 H new ATOM 0 H2' DG A 10 0.400 6.862 -17.669 1.00 -0.04 H new ATOM 0 H2'' DG A 10 1.413 8.292 -17.646 1.00 -0.04 H new ATOM 0 HO3' DG A 10 -1.053 9.116 -18.737 1.00 -0.46 H new ATOM 0 H1' DG A 10 2.198 7.480 -15.597 1.00 0.14 H new ATOM 0 H8 DG A 10 -1.409 6.262 -15.338 1.00 0.23 H new ATOM 0 H1 DG A 10 3.368 1.906 -14.336 1.00 -0.15 H new ATOM 0 H21 DG A 10 5.362 4.698 -15.041 1.00 -0.42 H new ATOM 0 H22 DG A 10 5.318 2.980 -14.635 1.00 -0.42 H new TER 317 DG A 10 ATOM 318 O5' DC B 11 10.283 -3.885 -17.488 1.00 -0.46 O ATOM 319 C5' DC B 11 8.893 -3.545 -17.633 1.00 0.05 C ATOM 320 C4' DC B 11 8.630 -2.221 -16.877 1.00 0.10 C ATOM 321 O4' DC B 11 7.224 -1.940 -16.795 1.00 -0.27 O ATOM 322 C3' DC B 11 9.012 -2.265 -15.381 1.00 0.13 C ATOM 323 O3' DC B 11 10.401 -2.006 -15.131 1.00 0.09 O ATOM 324 C2' DC B 11 8.096 -1.185 -14.752 1.00 -0.04 C ATOM 325 C1' DC B 11 7.063 -0.865 -15.859 1.00 0.14 C ATOM 326 N1 DC B 11 5.710 -0.836 -15.320 1.00 0.02 N ATOM 327 C2 DC B 11 5.042 0.322 -15.195 1.00 0.43 C ATOM 328 O2 DC B 11 5.494 1.410 -15.508 1.00 -0.41 O ATOM 329 N3 DC B 11 3.709 0.351 -14.653 1.00 -0.68 N ATOM 330 C4 DC B 11 3.131 -0.708 -14.263 1.00 0.44 C ATOM 331 N4 DC B 11 1.918 -0.702 -13.809 1.00 -0.44 N ATOM 332 C5 DC B 11 3.897 -1.962 -14.353 1.00 -0.20 C ATOM 333 C6 DC B 11 5.128 -1.971 -14.877 1.00 0.22 C ATOM 0 H5' DC B 11 8.265 -4.341 -17.233 1.00 0.05 H new ATOM 0 H5'' DC B 11 8.638 -3.437 -18.687 1.00 0.05 H new ATOM 0 H4' DC B 11 9.220 -1.498 -17.441 1.00 0.10 H new ATOM 0 H3' DC B 11 8.870 -3.258 -14.955 1.00 0.13 H new ATOM 0 H2' DC B 11 7.609 -1.553 -13.849 1.00 -0.04 H new ATOM 0 H2'' DC B 11 8.663 -0.298 -14.469 1.00 -0.04 H new ATOM 0 HO5' DC B 11 10.466 -4.724 -17.961 1.00 -0.46 H new ATOM 0 H1' DC B 11 7.219 0.114 -16.312 1.00 0.14 H new ATOM 0 H41 DC B 11 1.483 -1.573 -13.504 1.00 -0.44 H new ATOM 0 H42 DC B 11 1.397 0.174 -13.757 1.00 -0.44 H new ATOM 0 H5 DC B 11 3.462 -2.882 -13.993 1.00 -0.20 H new ATOM 0 H6 DC B 11 5.667 -2.904 -14.947 1.00 0.22 H new ATOM 346 P DG B 12 11.018 -1.884 -13.653 1.00 -1.31 P ATOM 347 OP1 DG B 12 12.469 -2.220 -13.724 1.00 0.35 O ATOM 348 OP2 DG B 12 10.366 -2.873 -12.747 1.00 0.35 O ATOM 349 O5' DG B 12 10.829 -0.408 -13.062 1.00 0.10 O ATOM 350 C5' DG B 12 11.537 0.732 -13.561 1.00 0.08 C ATOM 351 C4' DG B 12 10.977 2.027 -12.922 1.00 0.10 C ATOM 352 O4' DG B 12 9.542 1.921 -13.009 1.00 -0.27 O ATOM 353 C3' DG B 12 11.320 2.180 -11.418 1.00 0.13 C ATOM 354 O3' DG B 12 11.428 3.574 -11.096 1.00 0.09 O ATOM 355 C2' DG B 12 10.090 1.553 -10.737 1.00 -0.04 C ATOM 356 C1' DG B 12 8.958 1.988 -11.697 1.00 0.14 C ATOM 357 N9 DG B 12 7.768 1.146 -11.652 1.00 0.00 N ATOM 358 C8 DG B 12 7.753 -0.157 -11.598 1.00 0.23 C ATOM 359 N7 DG B 12 6.568 -0.581 -11.562 1.00 -0.55 N ATOM 360 C5 DG B 12 5.671 0.543 -11.584 1.00 0.00 C ATOM 361 C6 DG B 12 4.234 0.813 -11.543 1.00 0.33 C ATOM 362 O6 DG B 12 3.439 -0.107 -11.443 1.00 -0.40 O ATOM 363 N1 DG B 12 3.851 2.108 -11.600 1.00 -0.15 N ATOM 364 C2 DG B 12 4.745 3.124 -11.688 1.00 0.57 C ATOM 365 N2 DG B 12 4.306 4.343 -11.753 1.00 -0.42 N ATOM 366 N3 DG B 12 6.000 2.905 -11.705 1.00 -0.67 N ATOM 367 C4 DG B 12 6.522 1.562 -11.650 1.00 0.29 C ATOM 0 H5' DG B 12 11.443 0.782 -14.646 1.00 0.08 H new ATOM 0 H5'' DG B 12 12.600 0.637 -13.337 1.00 0.08 H new ATOM 0 H4' DG B 12 11.411 2.879 -13.445 1.00 0.10 H new ATOM 0 H3' DG B 12 12.260 1.717 -11.116 1.00 0.13 H new ATOM 0 H2' DG B 12 10.170 0.469 -10.661 1.00 -0.04 H new ATOM 0 H2'' DG B 12 9.941 1.933 -9.726 1.00 -0.04 H new ATOM 0 H1' DG B 12 8.605 2.979 -11.411 1.00 0.14 H new ATOM 0 H8 DG B 12 8.633 -0.784 -11.586 1.00 0.23 H new ATOM 0 H1 DG B 12 2.855 2.329 -11.576 1.00 -0.15 H new ATOM 0 H21 DG B 12 4.964 5.119 -11.820 1.00 -0.42 H new ATOM 0 H22 DG B 12 3.303 4.525 -11.738 1.00 -0.42 H new ATOM 379 P DA B 13 11.522 4.185 -9.619 1.00 -1.31 P ATOM 380 OP1 DA B 13 12.472 5.334 -9.605 1.00 0.35 O ATOM 381 OP2 DA B 13 12.016 3.176 -8.638 1.00 0.35 O ATOM 382 O5' DA B 13 10.057 4.683 -9.216 1.00 0.10 O ATOM 383 C5' DA B 13 9.468 5.772 -9.935 1.00 0.08 C ATOM 384 C4' DA B 13 8.018 5.982 -9.455 1.00 0.10 C ATOM 385 O4' DA B 13 7.291 4.779 -9.720 1.00 -0.27 O ATOM 386 C3' DA B 13 7.886 6.194 -7.924 1.00 0.13 C ATOM 387 O3' DA B 13 7.472 7.541 -7.658 1.00 0.09 O ATOM 388 C2' DA B 13 6.829 5.144 -7.504 1.00 -0.04 C ATOM 389 C1' DA B 13 6.171 4.741 -8.836 1.00 0.14 C ATOM 390 N9 DA B 13 5.688 3.381 -8.765 1.00 -0.01 N ATOM 391 C8 DA B 13 6.422 2.302 -8.798 1.00 0.30 C ATOM 392 N7 DA B 13 5.706 1.260 -8.728 1.00 -0.56 N ATOM 393 C5 DA B 13 4.411 1.611 -8.654 1.00 0.12 C ATOM 394 C6 DA B 13 3.227 0.892 -8.565 1.00 0.38 C ATOM 395 N6 DA B 13 3.199 -0.457 -8.567 1.00 -0.44 N ATOM 396 N1 DA B 13 2.095 1.625 -8.470 1.00 -0.50 N ATOM 397 C2 DA B 13 2.096 2.980 -8.522 1.00 0.27 C ATOM 398 N3 DA B 13 3.246 3.682 -8.598 1.00 -0.49 N ATOM 399 C4 DA B 13 4.398 2.995 -8.673 1.00 0.29 C ATOM 0 H5' DA B 13 9.481 5.565 -11.005 1.00 0.08 H new ATOM 0 H5'' DA B 13 10.049 6.681 -9.779 1.00 0.08 H new ATOM 0 H4' DA B 13 7.652 6.869 -9.972 1.00 0.10 H new ATOM 0 H3' DA B 13 8.815 6.064 -7.369 1.00 0.13 H new ATOM 0 H2' DA B 13 7.288 4.289 -7.009 1.00 -0.04 H new ATOM 0 H2'' DA B 13 6.102 5.563 -6.808 1.00 -0.04 H new ATOM 0 H1' DA B 13 5.327 5.369 -9.120 1.00 0.14 H new ATOM 0 H8 DA B 13 7.499 2.299 -8.875 1.00 0.30 H new ATOM 0 H61 DA B 13 2.308 -0.949 -8.500 1.00 -0.44 H new ATOM 0 H62 DA B 13 4.069 -0.985 -8.636 1.00 -0.44 H new ATOM 0 H2 DA B 13 1.155 3.509 -8.502 1.00 0.27 H new ATOM 411 P DC B 14 7.056 8.110 -6.220 1.00 -1.31 P ATOM 412 OP1 DC B 14 7.155 9.597 -6.232 1.00 0.35 O ATOM 413 OP2 DC B 14 7.974 7.597 -5.163 1.00 0.35 O ATOM 414 O5' DC B 14 5.551 7.666 -5.909 1.00 0.10 O ATOM 415 C5' DC B 14 4.519 7.972 -6.853 1.00 0.08 C ATOM 416 C4' DC B 14 3.167 7.363 -6.414 1.00 0.10 C ATOM 417 O4' DC B 14 3.150 5.935 -6.581 1.00 -0.27 O ATOM 418 C3' DC B 14 2.836 7.581 -4.915 1.00 0.13 C ATOM 419 O3' DC B 14 1.617 8.333 -4.853 1.00 0.09 O ATOM 420 C2' DC B 14 2.652 6.137 -4.390 1.00 -0.04 C ATOM 421 C1' DC B 14 2.199 5.381 -5.655 1.00 0.14 C ATOM 422 N1 DC B 14 2.335 3.927 -5.588 1.00 0.02 N ATOM 423 C2 DC B 14 1.271 3.120 -5.395 1.00 0.43 C ATOM 424 O2 DC B 14 0.130 3.512 -5.218 1.00 -0.41 O ATOM 425 N3 DC B 14 1.417 1.687 -5.390 1.00 -0.68 N ATOM 426 C4 DC B 14 2.548 1.141 -5.573 1.00 0.44 C ATOM 427 N4 DC B 14 2.697 -0.144 -5.638 1.00 -0.44 N ATOM 428 C5 DC B 14 3.710 2.031 -5.717 1.00 -0.20 C ATOM 429 C6 DC B 14 3.552 3.359 -5.722 1.00 0.22 C ATOM 0 H5' DC B 14 4.794 7.587 -7.835 1.00 0.08 H new ATOM 0 H5'' DC B 14 4.420 9.053 -6.951 1.00 0.08 H new ATOM 0 H4' DC B 14 2.442 7.875 -7.047 1.00 0.10 H new ATOM 0 H3' DC B 14 3.584 8.124 -4.337 1.00 0.13 H new ATOM 0 H2' DC B 14 3.579 5.731 -3.984 1.00 -0.04 H new ATOM 0 H2'' DC B 14 1.906 6.085 -3.597 1.00 -0.04 H new ATOM 0 H1' DC B 14 1.139 5.501 -5.880 1.00 0.14 H new ATOM 0 H41 DC B 14 3.624 -0.543 -5.786 1.00 -0.44 H new ATOM 0 H42 DC B 14 1.887 -0.757 -5.541 1.00 -0.44 H new ATOM 0 H5 DC B 14 4.699 1.609 -5.820 1.00 -0.20 H new ATOM 0 H6 DC B 14 4.419 3.992 -5.836 1.00 0.22 H new ATOM 441 P DT B 15 0.669 8.647 -3.603 1.00 -1.31 P ATOM 442 OP1 DT B 15 0.158 10.041 -3.740 1.00 0.35 O ATOM 443 OP2 DT B 15 1.422 8.564 -2.318 1.00 0.35 O ATOM 444 O5' DT B 15 -0.561 7.622 -3.612 1.00 0.10 O ATOM 445 C5' DT B 15 -1.389 7.538 -4.779 1.00 0.08 C ATOM 446 C4' DT B 15 -2.507 6.487 -4.594 1.00 0.10 C ATOM 447 O4' DT B 15 -1.854 5.233 -4.356 1.00 -0.27 O ATOM 448 C3' DT B 15 -3.400 6.751 -3.354 1.00 0.13 C ATOM 449 O3' DT B 15 -4.766 6.476 -3.701 1.00 0.09 O ATOM 450 C2' DT B 15 -2.892 5.720 -2.329 1.00 -0.04 C ATOM 451 C1' DT B 15 -2.493 4.562 -3.265 1.00 0.14 C ATOM 452 N1 DT B 15 -1.523 3.667 -2.641 1.00 -0.04 N ATOM 453 C2 DT B 15 -1.888 2.412 -2.309 1.00 0.43 C ATOM 454 O2 DT B 15 -3.015 1.999 -2.522 1.00 -0.41 O ATOM 455 N3 DT B 15 -0.989 1.609 -1.730 1.00 -0.25 N ATOM 456 C4 DT B 15 0.252 2.009 -1.432 1.00 0.32 C ATOM 457 O4 DT B 15 1.045 1.263 -0.879 1.00 -0.39 O ATOM 458 C5 DT B 15 0.644 3.379 -1.786 1.00 -0.15 C ATOM 459 C7 DT B 15 2.023 3.911 -1.473 1.00 -0.07 C ATOM 460 C6 DT B 15 -0.279 4.135 -2.388 1.00 0.10 C ATOM 0 H5' DT B 15 -0.779 7.276 -5.643 1.00 0.08 H new ATOM 0 H5'' DT B 15 -1.832 8.512 -4.985 1.00 0.08 H new ATOM 0 H4' DT B 15 -3.139 6.513 -5.481 1.00 0.10 H new ATOM 0 H3' DT B 15 -3.355 7.774 -2.981 1.00 0.13 H new ATOM 0 H2' DT B 15 -2.048 6.094 -1.749 1.00 -0.04 H new ATOM 0 H2'' DT B 15 -3.664 5.429 -1.617 1.00 -0.04 H new ATOM 0 H1' DT B 15 -3.352 3.950 -3.540 1.00 0.14 H new ATOM 0 H3 DT B 15 -1.261 0.652 -1.506 1.00 -0.25 H new ATOM 0 H71 DT B 15 2.406 3.423 -0.577 1.00 -0.07 H new ATOM 0 H72 DT B 15 2.690 3.707 -2.311 1.00 -0.07 H new ATOM 0 H73 DT B 15 1.969 4.987 -1.306 1.00 -0.07 H new ATOM 0 H6 DT B 15 -0.026 5.144 -2.680 1.00 0.10 H new ATOM 473 P DA B 16 -6.001 6.518 -2.682 1.00 -1.31 P ATOM 474 OP1 DA B 16 -7.246 6.835 -3.439 1.00 0.35 O ATOM 475 OP2 DA B 16 -5.800 7.594 -1.671 1.00 0.35 O ATOM 476 O5' DA B 16 -6.161 5.112 -1.932 1.00 0.10 O ATOM 477 C5' DA B 16 -6.711 3.970 -2.594 1.00 0.08 C ATOM 478 C4' DA B 16 -6.779 2.776 -1.618 1.00 0.10 C ATOM 479 O4' DA B 16 -5.451 2.356 -1.283 1.00 -0.27 O ATOM 480 C3' DA B 16 -7.439 3.118 -0.257 1.00 0.13 C ATOM 481 O3' DA B 16 -8.599 2.286 -0.107 1.00 0.09 O ATOM 482 C2' DA B 16 -6.331 2.767 0.763 1.00 -0.04 C ATOM 483 C1' DA B 16 -5.481 1.729 0.004 1.00 0.14 C ATOM 484 N9 DA B 16 -4.102 1.626 0.446 1.00 -0.01 N ATOM 485 C8 DA B 16 -3.208 2.576 0.387 1.00 0.30 C ATOM 486 N7 DA B 16 -2.062 2.159 0.731 1.00 -0.56 N ATOM 487 C5 DA B 16 -2.139 0.851 1.025 1.00 0.12 C ATOM 488 C6 DA B 16 -1.192 -0.110 1.376 1.00 0.38 C ATOM 489 N6 DA B 16 0.134 0.142 1.386 1.00 -0.44 N ATOM 490 N1 DA B 16 -1.673 -1.337 1.675 1.00 -0.50 N ATOM 491 C2 DA B 16 -2.978 -1.662 1.499 1.00 0.27 C ATOM 492 N3 DA B 16 -3.893 -0.746 1.112 1.00 -0.49 N ATOM 493 C4 DA B 16 -3.470 0.506 0.871 1.00 0.29 C ATOM 0 H5' DA B 16 -6.099 3.710 -3.458 1.00 0.08 H new ATOM 0 H5'' DA B 16 -7.708 4.202 -2.968 1.00 0.08 H new ATOM 0 H4' DA B 16 -7.368 2.019 -2.136 1.00 0.10 H new ATOM 0 H3' DA B 16 -7.774 4.149 -0.143 1.00 0.13 H new ATOM 0 H2' DA B 16 -5.745 3.643 1.041 1.00 -0.04 H new ATOM 0 H2'' DA B 16 -6.745 2.355 1.683 1.00 -0.04 H new ATOM 0 H1' DA B 16 -5.887 0.722 0.103 1.00 0.14 H new ATOM 0 H8 DA B 16 -3.419 3.591 0.083 1.00 0.30 H new ATOM 0 H61 DA B 16 0.791 -0.592 1.650 1.00 -0.44 H new ATOM 0 H62 DA B 16 0.479 1.067 1.130 1.00 -0.44 H new ATOM 0 H2 DA B 16 -3.294 -2.680 1.673 1.00 0.27 H new ATOM 505 P DG B 17 -9.440 1.954 1.214 1.00 -1.31 P ATOM 506 OP1 DG B 17 -10.890 1.871 0.878 1.00 0.35 O ATOM 507 OP2 DG B 17 -9.271 3.012 2.252 1.00 0.35 O ATOM 508 O5' DG B 17 -8.926 0.542 1.763 1.00 0.10 O ATOM 509 C5' DG B 17 -9.068 -0.639 0.964 1.00 0.08 C ATOM 510 C4' DG B 17 -8.463 -1.854 1.705 1.00 0.10 C ATOM 511 O4' DG B 17 -7.075 -1.563 1.952 1.00 -0.27 O ATOM 512 C3' DG B 17 -9.109 -2.061 3.097 1.00 0.13 C ATOM 513 O3' DG B 17 -9.302 -3.465 3.324 1.00 0.09 O ATOM 514 C2' DG B 17 -8.040 -1.482 4.042 1.00 -0.04 C ATOM 515 C1' DG B 17 -6.739 -1.882 3.313 1.00 0.14 C ATOM 516 N9 DG B 17 -5.570 -1.087 3.657 1.00 0.00 N ATOM 517 C8 DG B 17 -5.495 0.204 3.531 1.00 0.23 C ATOM 518 N7 DG B 17 -4.346 0.614 3.841 1.00 -0.55 N ATOM 519 C5 DG B 17 -3.542 -0.517 4.218 1.00 0.00 C ATOM 520 C6 DG B 17 -2.173 -0.810 4.640 1.00 0.33 C ATOM 521 O6 DG B 17 -1.348 0.084 4.741 1.00 -0.40 O ATOM 522 N1 DG B 17 -1.876 -2.099 4.904 1.00 -0.15 N ATOM 523 C2 DG B 17 -2.794 -3.092 4.800 1.00 0.57 C ATOM 524 N2 DG B 17 -2.446 -4.302 5.116 1.00 -0.42 N ATOM 525 N3 DG B 17 -3.984 -2.857 4.410 1.00 -0.67 N ATOM 526 C4 DG B 17 -4.408 -1.518 4.088 1.00 0.29 C ATOM 0 H5' DG B 17 -8.568 -0.502 0.005 1.00 0.08 H new ATOM 0 H5'' DG B 17 -10.122 -0.820 0.751 1.00 0.08 H new ATOM 0 H4' DG B 17 -8.625 -2.740 1.091 1.00 0.10 H new ATOM 0 H3' DG B 17 -10.085 -1.593 3.224 1.00 0.13 H new ATOM 0 H2' DG B 17 -8.133 -0.402 4.154 1.00 -0.04 H new ATOM 0 H2'' DG B 17 -8.099 -1.912 5.042 1.00 -0.04 H new ATOM 0 H1' DG B 17 -6.466 -2.910 3.551 1.00 0.14 H new ATOM 0 H8 DG B 17 -6.307 0.838 3.205 1.00 0.23 H new ATOM 0 H1 DG B 17 -0.927 -2.336 5.192 1.00 -0.15 H new ATOM 0 H21 DG B 17 -3.122 -5.062 5.044 1.00 -0.42 H new ATOM 0 H22 DG B 17 -1.496 -4.492 5.436 1.00 -0.42 H new ATOM 538 P DT B 18 -9.765 -4.111 4.713 1.00 -1.31 P ATOM 539 OP1 DT B 18 -10.496 -5.384 4.454 1.00 0.35 O ATOM 540 OP2 DT B 18 -10.685 -3.192 5.444 1.00 0.35 O ATOM 541 O5' DT B 18 -8.462 -4.397 5.596 1.00 0.10 O ATOM 542 C5' DT B 18 -7.534 -5.411 5.199 1.00 0.08 C ATOM 543 C4' DT B 18 -6.326 -5.399 6.158 1.00 0.10 C ATOM 544 O4' DT B 18 -5.737 -4.098 6.152 1.00 -0.27 O ATOM 545 C3' DT B 18 -6.710 -5.635 7.640 1.00 0.13 C ATOM 546 O3' DT B 18 -6.225 -6.926 8.038 1.00 0.09 O ATOM 547 C2' DT B 18 -6.029 -4.467 8.397 1.00 -0.04 C ATOM 548 C1' DT B 18 -5.009 -3.925 7.372 1.00 0.14 C ATOM 549 N1 DT B 18 -4.668 -2.504 7.486 1.00 -0.04 N ATOM 550 C2 DT B 18 -3.429 -2.138 7.889 1.00 0.43 C ATOM 551 O2 DT B 18 -2.611 -2.977 8.226 1.00 -0.41 O ATOM 552 N3 DT B 18 -3.098 -0.836 7.924 1.00 -0.25 N ATOM 553 C4 DT B 18 -3.974 0.122 7.587 1.00 0.32 C ATOM 554 O4 DT B 18 -3.690 1.305 7.646 1.00 -0.39 O ATOM 555 C5 DT B 18 -5.321 -0.277 7.150 1.00 -0.15 C ATOM 556 C7 DT B 18 -6.328 0.768 6.723 1.00 -0.07 C ATOM 557 C6 DT B 18 -5.599 -1.585 7.139 1.00 0.10 C ATOM 0 H5' DT B 18 -7.202 -5.236 4.176 1.00 0.08 H new ATOM 0 H5'' DT B 18 -8.016 -6.388 5.215 1.00 0.08 H new ATOM 0 H4' DT B 18 -5.670 -6.195 5.807 1.00 0.10 H new ATOM 0 H3' DT B 18 -7.782 -5.642 7.840 1.00 0.13 H new ATOM 0 H2' DT B 18 -6.749 -3.703 8.690 1.00 -0.04 H new ATOM 0 H2'' DT B 18 -5.540 -4.810 9.309 1.00 -0.04 H new ATOM 0 H1' DT B 18 -4.052 -4.434 7.485 1.00 0.14 H new ATOM 0 H3 DT B 18 -2.157 -0.570 8.214 1.00 -0.25 H new ATOM 0 H71 DT B 18 -6.999 0.343 5.977 1.00 -0.07 H new ATOM 0 H72 DT B 18 -6.906 1.092 7.589 1.00 -0.07 H new ATOM 0 H73 DT B 18 -5.805 1.623 6.295 1.00 -0.07 H new ATOM 0 H6 DT B 18 -6.585 -1.914 6.848 1.00 0.10 H new ATOM 570 P DC B 19 -6.496 -7.657 9.437 1.00 -1.31 P ATOM 571 OP1 DC B 19 -6.471 -9.129 9.200 1.00 0.35 O ATOM 572 OP2 DC B 19 -7.858 -7.311 9.935 1.00 0.35 O ATOM 573 O5' DC B 19 -5.410 -7.260 10.545 1.00 0.10 O ATOM 574 C5' DC B 19 -4.228 -8.037 10.775 1.00 0.08 C ATOM 575 C4' DC B 19 -3.366 -7.370 11.872 1.00 0.10 C ATOM 576 O4' DC B 19 -3.105 -6.018 11.482 1.00 -0.27 O ATOM 577 C3' DC B 19 -4.082 -7.227 13.237 1.00 0.13 C ATOM 578 O3' DC B 19 -3.713 -8.279 14.145 1.00 0.09 O ATOM 579 C2' DC B 19 -3.635 -5.830 13.734 1.00 -0.04 C ATOM 580 C1' DC B 19 -2.691 -5.285 12.642 1.00 0.14 C ATOM 581 N1 DC B 19 -2.889 -3.867 12.363 1.00 0.02 N ATOM 582 C2 DC B 19 -1.989 -2.940 12.733 1.00 0.43 C ATOM 583 O2 DC B 19 -0.991 -3.187 13.390 1.00 -0.41 O ATOM 584 N3 DC B 19 -2.151 -1.560 12.350 1.00 -0.68 N ATOM 585 C4 DC B 19 -3.158 -1.180 11.677 1.00 0.44 C ATOM 586 N4 DC B 19 -3.303 0.045 11.282 1.00 -0.44 N ATOM 587 C5 DC B 19 -4.173 -2.189 11.341 1.00 -0.20 C ATOM 588 C6 DC B 19 -3.993 -3.465 11.699 1.00 0.22 C ATOM 0 H5' DC B 19 -3.654 -8.124 9.852 1.00 0.08 H new ATOM 0 H5'' DC B 19 -4.500 -9.048 11.078 1.00 0.08 H new ATOM 0 H4' DC B 19 -2.487 -8.006 11.977 1.00 0.10 H new ATOM 0 H3' DC B 19 -5.166 -7.311 13.161 1.00 0.13 H new ATOM 0 H2' DC B 19 -4.492 -5.172 13.876 1.00 -0.04 H new ATOM 0 H2'' DC B 19 -3.124 -5.900 14.694 1.00 -0.04 H new ATOM 0 H1' DC B 19 -1.647 -5.393 12.937 1.00 0.14 H new ATOM 0 H41 DC B 19 -4.126 0.313 10.743 1.00 -0.44 H new ATOM 0 H42 DC B 19 -2.594 0.742 11.510 1.00 -0.44 H new ATOM 0 H5 DC B 19 -5.065 -1.900 10.805 1.00 -0.20 H new ATOM 0 H6 DC B 19 -4.751 -4.193 11.450 1.00 0.22 H new ATOM 600 P DG B 20 -4.198 -8.403 15.671 1.00 -1.31 P ATOM 601 OP1 DG B 20 -4.043 -9.818 16.114 1.00 0.35 O ATOM 602 OP2 DG B 20 -5.642 -8.049 15.778 1.00 0.35 O ATOM 603 O5' DG B 20 -3.337 -7.442 16.623 1.00 0.10 O ATOM 604 C5' DG B 20 -1.971 -7.731 16.946 1.00 0.08 C ATOM 605 C4' DG B 20 -1.284 -6.489 17.562 1.00 0.10 C ATOM 606 O4' DG B 20 -1.560 -5.408 16.655 1.00 -0.27 O ATOM 607 C3' DG B 20 -1.848 -6.058 18.947 1.00 0.09 C ATOM 608 O3' DG B 20 -0.808 -5.562 19.811 1.00 -0.46 O ATOM 609 C2' DG B 20 -2.731 -4.850 18.588 1.00 -0.04 C ATOM 610 C1' DG B 20 -1.947 -4.250 17.400 1.00 0.14 C ATOM 611 N9 DG B 20 -2.742 -3.396 16.530 1.00 0.00 N ATOM 612 C8 DG B 20 -3.921 -3.677 16.050 1.00 0.23 C ATOM 613 N7 DG B 20 -4.334 -2.731 15.328 1.00 -0.55 N ATOM 614 C5 DG B 20 -3.347 -1.684 15.325 1.00 0.00 C ATOM 615 C6 DG B 20 -3.150 -0.344 14.770 1.00 0.33 C ATOM 616 O6 DG B 20 -4.018 0.181 14.090 1.00 -0.40 O ATOM 617 N1 DG B 20 -1.985 0.271 15.072 1.00 -0.15 N ATOM 618 C2 DG B 20 -1.036 -0.298 15.857 1.00 0.57 C ATOM 619 N2 DG B 20 0.054 0.358 16.112 1.00 -0.42 N ATOM 620 N3 DG B 20 -1.197 -1.458 16.352 1.00 -0.67 N ATOM 621 C4 DG B 20 -2.399 -2.208 16.096 1.00 0.29 C ATOM 0 H5' DG B 20 -1.437 -8.041 16.048 1.00 0.08 H new ATOM 0 H5'' DG B 20 -1.926 -8.564 17.647 1.00 0.08 H new ATOM 0 H4' DG B 20 -0.231 -6.728 17.709 1.00 0.10 H new ATOM 0 H3' DG B 20 -2.344 -6.885 19.455 1.00 0.09 H new ATOM 0 H2' DG B 20 -3.741 -5.147 18.307 1.00 -0.04 H new ATOM 0 H2'' DG B 20 -2.825 -4.148 19.416 1.00 -0.04 H new ATOM 0 HO3' DG B 20 -1.196 -5.298 20.672 1.00 -0.46 H new ATOM 0 H1' DG B 20 -1.136 -3.617 17.762 1.00 0.14 H new ATOM 0 H8 DG B 20 -4.465 -4.590 16.244 1.00 0.23 H new ATOM 0 H1 DG B 20 -1.812 1.202 14.694 1.00 -0.15 H new ATOM 0 H21 DG B 20 0.775 -0.060 16.701 1.00 -0.42 H new ATOM 0 H22 DG B 20 0.190 1.291 15.724 1.00 -0.42 H new TER 634 DG B 20 END