USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 283 hydrogens (2 hets) HEADER DNA 14-OCT-02 1N0K TITLE NMR STRUCTURE OF DUPLEX DNA D(CCAAGGXCTTGGG), X IS A 3' TITLE 2 PHOSPHOGLYCOLATE, 5'PHOSPHATE GAPPED LESION COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*CP*AP*AP*GP*G)-3'; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 5'-D(P*CP*TP*TP*GP*GP*G)-3'; COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 0 MOLECULE: 5'-D(*CP*CP*CP*AP*AP*GP*GP*CP*CP*TP*TP*GP*G)-3'; COMPND 1 CHAIN: C; COMPND 2 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES; SOURCE 5 MOL_ID: 3; SOURCE 6 SYNTHETIC: YES KEYWDS DNA, NMR, BLEOMYCIN, PHOSPHOGLYCOLATE, EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR H.-D.JUNKER,S.T.HOEHN,R.C.BUNT,V.MARATHIUS,J.CHEN, AUTHOR 2 C.J.TURNER,J.STUBBE REVDAT 2 24-FEB-09 1N0K 1 VERSN REVDAT 1 07-JAN-03 1N0K 0 JRNL AUTH H.-D.JUNKER,S.T.HOEHN,R.C.BUNT,V.MARATHIUS,J.CHEN, JRNL AUTH 2 C.J.TURNER,J.STUBBE JRNL TITL SYNTHESIS, CHARACTERIZATION AND SOLUTION STRUCTURE JRNL TITL 2 OF TETHERED OLIGONUCLEOTIDES CONTAINING AN JRNL TITL 3 INTERNAL 3'-PHOSPHOGLYCOLATE, 5'-PHOSPHATE GAPPED JRNL TITL 4 LESION JRNL REF NUCLEIC ACIDS RES. V. 30 5497 2002 JRNL REFN ISSN 0305-1048 JRNL PMID 12490718 JRNL DOI 10.1093/NAR/GKF681 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XPLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1N0K COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-NOV-02. REMARK 100 THE RCSB ID CODE IS RCSB017368. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293.15 REMARK 210 PH : 6.9 REMARK 210 IONIC STRENGTH : 40 MM NAH2PO4 REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1.4 MM OLIGONUCLEOTIDE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : PECOSY, TOCSY, NOESY, HSQC, REMARK 210 GE-HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : CUSTOM BUILD REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XPLOR 3.851 REMARK 210 METHOD USED : CONJUGATE GRADIENT REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMUM RMSD AND NMR REMARK 210 CONSTRAINTS VIOLATION 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 N4 DC A 1 O6 DG C 26 1.38 REMARK 500 N3 DC A 1 N1 DG C 26 1.66 REMARK 500 O2 DC A 1 N2 DG C 26 1.72 REMARK 500 N4 DC A 1 C6 DG C 26 2.03 REMARK 500 REMARK 500 REMARK: NULL 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 O2 -0.057 REMARK 500 DC A 1 N1 DC A 1 C6 -0.047 REMARK 500 DC A 1 N3 DC A 1 C4 -0.067 REMARK 500 DA A 4 N9 DA A 4 C4 0.037 REMARK 500 DC B 8 P DC B 8 OP1 0.124 REMARK 500 DC B 8 P DC B 8 OP2 0.125 REMARK 500 DC B 8 P DC B 8 O5' -0.153 REMARK 500 DC B 8 O3' DC B 8 C3' -0.055 REMARK 500 DT B 9 P DT B 9 OP1 -0.121 REMARK 500 DT B 9 P DT B 9 OP2 -0.108 REMARK 500 DT B 9 C6 DT B 9 N1 0.044 REMARK 500 DC B 8 O3' DT B 9 P -0.127 REMARK 500 DT B 10 P DT B 10 O5' -0.086 REMARK 500 DT B 10 O4' DT B 10 C1' -0.073 REMARK 500 DT B 10 O3' DT B 10 C3' -0.044 REMARK 500 DT B 10 C5 DT B 10 C7 -0.038 REMARK 500 DT B 10 O3' DG B 11 P -0.090 REMARK 500 DG B 13 C4' DG B 13 C3' -0.064 REMARK 500 DG B 13 O3' DG B 13 C3' -0.077 REMARK 500 DC C 14 O5' DC C 14 C5' -0.231 REMARK 500 DC C 15 P DC C 15 O5' -0.070 REMARK 500 DC C 14 O3' DC C 15 P -0.090 REMARK 500 DC C 15 O3' DC C 16 P -0.075 REMARK 500 DC C 21 O5' DC C 21 C5' -0.167 REMARK 500 DC C 21 C2' DC C 21 C1' 0.066 REMARK 500 DT C 24 N1 DT C 24 C2 0.055 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DC A 1 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DC A 1 C6 - N1 - C2 ANGL. DEV. = -3.4 DEGREES REMARK 500 DC A 1 C4 - C5 - C6 ANGL. DEV. = 3.4 DEGREES REMARK 500 DC A 1 N3 - C2 - O2 ANGL. DEV. = -4.8 DEGREES REMARK 500 DC A 2 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DC A 2 C3' - O3' - P ANGL. DEV. = 7.3 DEGREES REMARK 500 DA A 3 C3' - O3' - P ANGL. DEV. = 10.7 DEGREES REMARK 500 DC B 8 P - O5' - C5' ANGL. DEV. = 12.7 DEGREES REMARK 500 DC B 8 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DC B 8 N1 - C2 - O2 ANGL. DEV. = 4.7 DEGREES REMARK 500 DT B 9 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES REMARK 500 DT B 9 N3 - C2 - O2 ANGL. DEV. = -4.2 DEGREES REMARK 500 DC B 8 C3' - O3' - P ANGL. DEV. = 9.6 DEGREES REMARK 500 DT B 10 P - O5' - C5' ANGL. DEV. = 15.5 DEGREES REMARK 500 DT B 10 C1' - O4' - C4' ANGL. DEV. = 4.4 DEGREES REMARK 500 DT B 10 N3 - C2 - O2 ANGL. DEV. = -4.6 DEGREES REMARK 500 DT B 10 C4 - C5 - C7 ANGL. DEV. = -4.9 DEGREES REMARK 500 DG B 11 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES REMARK 500 DG B 11 N3 - C2 - N2 ANGL. DEV. = 5.1 DEGREES REMARK 500 DG B 12 P - O5' - C5' ANGL. DEV. = 13.0 DEGREES REMARK 500 DG B 12 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES REMARK 500 DG B 12 N3 - C2 - N2 ANGL. DEV. = 5.8 DEGREES REMARK 500 DG B 13 C1' - O4' - C4' ANGL. DEV. = 6.2 DEGREES REMARK 500 DG B 13 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG B 13 C2 - N3 - C4 ANGL. DEV. = 3.4 DEGREES REMARK 500 DG B 13 N3 - C4 - C5 ANGL. DEV. = -3.3 DEGREES REMARK 500 DG B 13 N1 - C2 - N2 ANGL. DEV. = -6.2 DEGREES REMARK 500 DG B 13 N3 - C2 - N2 ANGL. DEV. = 8.5 DEGREES REMARK 500 DC C 14 N1 - C2 - O2 ANGL. DEV. = 4.6 DEGREES REMARK 500 DC C 15 C6 - N1 - C2 ANGL. DEV. = -3.5 DEGREES REMARK 500 DC C 16 C6 - N1 - C2 ANGL. DEV. = -2.7 DEGREES REMARK 500 DC C 15 C3' - O3' - P ANGL. DEV. = 7.3 DEGREES REMARK 500 DC C 16 C3' - O3' - P ANGL. DEV. = 10.0 DEGREES REMARK 500 DA C 18 N1 - C6 - N6 ANGL. DEV. = 4.1 DEGREES REMARK 500 DA C 17 C3' - O3' - P ANGL. DEV. = 9.4 DEGREES REMARK 500 DG C 19 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES REMARK 500 DG C 19 N3 - C2 - N2 ANGL. DEV. = 5.3 DEGREES REMARK 500 DA C 18 C3' - O3' - P ANGL. DEV. = 9.0 DEGREES REMARK 500 DG C 20 C1' - O4' - C4' ANGL. DEV. = 5.4 DEGREES REMARK 500 DG C 20 C3' - C2' - C1' ANGL. DEV. = 9.3 DEGREES REMARK 500 DG C 20 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG C 20 N3 - C2 - N2 ANGL. DEV. = 4.9 DEGREES REMARK 500 DG C 19 C3' - O3' - P ANGL. DEV. = 8.4 DEGREES REMARK 500 DC C 21 C3' - O3' - P ANGL. DEV. = 7.4 DEGREES REMARK 500 DT C 23 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DC C 22 C3' - O3' - P ANGL. DEV. = 7.7 DEGREES REMARK 500 DT C 24 C3' - O3' - P ANGL. DEV. = 8.6 DEGREES REMARK 500 DG C 26 C2 - N3 - C4 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG C 26 N3 - C2 - N2 ANGL. DEV. = 4.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DA A 3 0.16 SIDE_CHAIN REMARK 500 DG A 6 0.05 SIDE_CHAIN REMARK 500 DT B 9 0.08 SIDE_CHAIN REMARK 500 DT B 10 0.07 SIDE_CHAIN REMARK 500 DG B 11 0.07 SIDE_CHAIN REMARK 500 DC C 15 0.12 SIDE_CHAIN REMARK 500 DC C 16 0.19 SIDE_CHAIN REMARK 500 DA C 17 0.06 SIDE_CHAIN REMARK 500 DG C 19 0.06 SIDE_CHAIN REMARK 500 DT C 23 0.15 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 PGA A 7 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PGA A 7 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1N0O RELATED DB: PDB REMARK 900 THIS ENTRY IS THE ENSEMBLE MODEL FOR PDB ENTRY 1N0K REMARK 900 RELATED ID: 1G5K RELATED DB: PDB REMARK 900 ENSEMBLE: 1G5K IS THE STRUCTURE OF THE OLIGONUCLEOTIDE REMARK 900 CONTAINING THE PHOSPHOGLYCOLATE LESION WITHOUT THE REMARK 900 BLEOMYCIN BOUND. REMARK 900 RELATED ID: 1GJ1 RELATED DB: PDB REMARK 900 MINIMIZED AVERAGE STRUCTURE: NMR STRUCTURE OF AN REMARK 900 OLIGONUCLEOTIDE CONTAINING A PHOSPHOGLYCOLATE LESION DBREF 1N0K A 1 6 PDB 1N0K 1N0K 1 6 DBREF 1N0K B 8 13 PDB 1N0K 1N0K 8 13 DBREF 1N0K C 14 26 PDB 1N0K 1N0K 14 26 SEQRES 1 A 6 DC DC DA DA DG DG SEQRES 1 B 6 DC DT DT DG DG DG SEQRES 1 C 13 DC DC DC DA DA DG DG DC DC DT DT DG DG HET PGA A 7 10 HETNAM PGA 2-PHOSPHOGLYCOLIC ACID FORMUL 4 PGA C2 H5 O6 P LINK O3' DG A 6 P PGA A 7 1555 1555 1.62 SITE *** AC1 1 DG A 6 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 NoAdj-H: A 1 DC H42 : A 1 DC N4 : C 26 DG O6 :(H bumps) USER MOD NoAdj-H: A 7 PGA HO2 : A 7 PGA O2 : A 7 PGA C1 :(short bond) USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl -30:sc= 0 (180deg=-2.21!) USER MOD Single : B 10 DT C7 :methyl -30:sc= -0.271 (180deg=-2.45!) USER MOD Single : B 13 DG O3' : rot 180:sc= 0 USER MOD Single : C 14 DC O5' : rot -35:sc= 0.0372 USER MOD Single : C 23 DT C7 :methyl -30:sc= 0 (180deg=-0.014) USER MOD Single : C 24 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 26 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -0.013 -7.807 -2.122 1.00 0.41 O ATOM 2 C5' DC A 1 1.094 -8.533 -2.514 1.00 0.65 C ATOM 3 C4' DC A 1 2.443 -8.003 -1.994 1.00 0.54 C ATOM 4 O4' DC A 1 2.643 -6.637 -2.443 1.00 0.64 O ATOM 5 C3' DC A 1 2.581 -7.957 -0.491 1.00 0.29 C ATOM 6 O3' DC A 1 3.903 -8.306 -0.092 1.00 0.35 O ATOM 7 C2' DC A 1 2.199 -6.530 -0.190 1.00 0.28 C ATOM 8 C1' DC A 1 2.718 -5.744 -1.358 1.00 0.54 C ATOM 9 N1 DC A 1 1.969 -4.478 -1.640 1.00 0.70 N ATOM 10 C2 DC A 1 2.496 -3.217 -1.257 1.00 0.52 C ATOM 11 O2 DC A 1 3.562 -3.120 -0.753 1.00 0.39 O ATOM 12 N3 DC A 1 1.815 -2.070 -1.487 1.00 0.65 N ATOM 13 C4 DC A 1 0.709 -2.099 -2.106 1.00 1.02 C ATOM 14 N4 DC A 1 0.102 -0.939 -2.350 1.00 1.20 N ATOM 15 C5 DC A 1 0.170 -3.336 -2.519 1.00 1.26 C ATOM 16 C6 DC A 1 0.816 -4.473 -2.282 1.00 1.07 C ATOM 0 H5' DC A 1 1.126 -8.556 -3.603 1.00 0.65 H new ATOM 0 H5'' DC A 1 0.972 -9.562 -2.177 1.00 0.65 H new ATOM 0 H4' DC A 1 3.173 -8.711 -2.387 1.00 0.54 H new ATOM 0 H3' DC A 1 1.962 -8.669 0.056 1.00 0.29 H new ATOM 0 H2' DC A 1 1.119 -6.422 -0.088 1.00 0.28 H new ATOM 0 H2'' DC A 1 2.643 -6.190 0.745 1.00 0.28 H new ATOM 0 HO5' DC A 1 -0.821 -8.214 -2.499 1.00 0.41 H new ATOM 0 H1' DC A 1 3.729 -5.392 -1.155 1.00 0.54 H new ATOM 0 H41 DC A 1 -0.789 -0.924 -2.846 1.00 1.20 H new ATOM 0 H5 DC A 1 -0.779 -3.359 -3.034 1.00 1.26 H new ATOM 0 H6 DC A 1 0.391 -5.407 -2.620 1.00 1.07 H new ATOM 29 P DC A 2 4.423 -8.319 1.408 1.00 0.28 P ATOM 30 OP1 DC A 2 5.414 -9.391 1.581 1.00 0.37 O ATOM 31 OP2 DC A 2 3.275 -8.293 2.327 1.00 0.20 O ATOM 32 O5' DC A 2 5.124 -6.926 1.530 1.00 0.31 O ATOM 33 C5' DC A 2 6.226 -6.460 0.777 1.00 0.44 C ATOM 34 C4' DC A 2 6.663 -5.019 1.117 1.00 0.29 C ATOM 35 O4' DC A 2 5.500 -4.099 1.162 1.00 0.34 O ATOM 36 C3' DC A 2 7.325 -4.859 2.491 1.00 0.24 C ATOM 37 O3' DC A 2 8.180 -3.733 2.467 1.00 0.27 O ATOM 38 C2' DC A 2 6.073 -4.616 3.405 1.00 0.22 C ATOM 39 C1' DC A 2 5.222 -3.670 2.518 1.00 0.24 C ATOM 40 N1 DC A 2 3.734 -3.649 2.778 1.00 0.22 N ATOM 41 C2 DC A 2 3.112 -2.372 2.972 1.00 0.20 C ATOM 42 O2 DC A 2 3.761 -1.318 3.004 1.00 0.19 O ATOM 43 N3 DC A 2 1.752 -2.307 3.129 1.00 0.19 N ATOM 44 C4 DC A 2 1.003 -3.419 3.127 1.00 0.20 C ATOM 45 N4 DC A 2 -0.338 -3.317 3.258 1.00 0.21 N ATOM 46 C5 DC A 2 1.609 -4.708 2.998 1.00 0.21 C ATOM 47 C6 DC A 2 2.933 -4.775 2.823 1.00 0.21 C ATOM 0 H5' DC A 2 5.975 -6.511 -0.282 1.00 0.44 H new ATOM 0 H5'' DC A 2 7.070 -7.131 0.937 1.00 0.44 H new ATOM 0 H4' DC A 2 7.375 -4.785 0.326 1.00 0.29 H new ATOM 0 H3' DC A 2 7.943 -5.696 2.817 1.00 0.24 H new ATOM 0 H2' DC A 2 5.548 -5.543 3.637 1.00 0.22 H new ATOM 0 H2'' DC A 2 6.342 -4.155 4.356 1.00 0.22 H new ATOM 0 H1' DC A 2 5.504 -2.641 2.739 1.00 0.24 H new ATOM 0 H41 DC A 2 -0.916 -4.158 3.258 1.00 0.21 H new ATOM 0 H42 DC A 2 -0.772 -2.399 3.357 1.00 0.21 H new ATOM 0 H5 DC A 2 1.011 -5.606 3.041 1.00 0.21 H new ATOM 0 H6 DC A 2 3.394 -5.745 2.713 1.00 0.21 H new ATOM 59 P DA A 3 9.040 -3.171 3.661 1.00 0.48 P ATOM 60 OP1 DA A 3 10.195 -2.500 3.108 1.00 0.70 O ATOM 61 OP2 DA A 3 9.305 -4.252 4.589 1.00 0.68 O ATOM 62 O5' DA A 3 8.118 -2.093 4.367 1.00 0.32 O ATOM 63 C5' DA A 3 7.682 -0.933 3.675 1.00 0.18 C ATOM 64 C4' DA A 3 7.184 0.202 4.594 1.00 0.19 C ATOM 65 O4' DA A 3 5.875 -0.138 5.099 1.00 0.29 O ATOM 66 C3' DA A 3 8.007 0.613 5.862 1.00 0.22 C ATOM 67 O3' DA A 3 8.216 2.012 5.831 1.00 0.33 O ATOM 68 C2' DA A 3 7.017 0.244 7.005 1.00 0.22 C ATOM 69 C1' DA A 3 5.655 0.424 6.343 1.00 0.14 C ATOM 70 N9 DA A 3 4.451 -0.249 6.914 1.00 0.25 N ATOM 71 C8 DA A 3 4.258 -1.585 7.212 1.00 0.37 C ATOM 72 N7 DA A 3 3.010 -1.977 7.224 1.00 0.36 N ATOM 73 C5 DA A 3 2.313 -0.834 6.939 1.00 0.23 C ATOM 74 C6 DA A 3 0.940 -0.635 6.775 1.00 0.16 C ATOM 75 N6 DA A 3 0.085 -1.676 6.706 1.00 0.13 N ATOM 76 N1 DA A 3 0.527 0.636 6.612 1.00 0.14 N ATOM 77 C2 DA A 3 1.423 1.618 6.506 1.00 0.16 C ATOM 78 N3 DA A 3 2.747 1.530 6.535 1.00 0.15 N ATOM 79 C4 DA A 3 3.143 0.256 6.784 1.00 0.19 C ATOM 0 H5' DA A 3 6.879 -1.211 2.992 1.00 0.18 H new ATOM 0 H5'' DA A 3 8.503 -0.557 3.065 1.00 0.18 H new ATOM 0 H4' DA A 3 7.254 1.053 3.917 1.00 0.19 H new ATOM 0 H3' DA A 3 8.985 0.141 5.956 1.00 0.22 H new ATOM 0 H2' DA A 3 7.165 -0.778 7.354 1.00 0.22 H new ATOM 0 H2'' DA A 3 7.136 0.897 7.870 1.00 0.22 H new ATOM 0 H1' DA A 3 5.390 1.477 6.433 1.00 0.14 H new ATOM 0 H8 DA A 3 5.078 -2.256 7.420 1.00 0.37 H new ATOM 0 H61 DA A 3 -0.914 -1.508 6.586 1.00 0.13 H new ATOM 0 H62 DA A 3 0.437 -2.631 6.774 1.00 0.13 H new ATOM 0 H2 DA A 3 1.020 2.612 6.381 1.00 0.16 H new ATOM 91 P DA A 4 8.889 2.952 6.868 1.00 0.55 P ATOM 92 OP1 DA A 4 9.502 4.012 6.115 1.00 0.82 O ATOM 93 OP2 DA A 4 9.759 2.186 7.743 1.00 0.72 O ATOM 94 O5' DA A 4 7.660 3.564 7.686 1.00 0.44 O ATOM 95 C5' DA A 4 7.050 4.772 7.225 1.00 0.45 C ATOM 96 C4' DA A 4 5.775 5.248 7.935 1.00 0.28 C ATOM 97 O4' DA A 4 4.804 4.163 8.072 1.00 0.16 O ATOM 98 C3' DA A 4 5.957 5.825 9.367 1.00 0.37 C ATOM 99 O3' DA A 4 5.254 7.057 9.462 1.00 0.42 O ATOM 100 C2' DA A 4 5.271 4.730 10.259 1.00 0.35 C ATOM 101 C1' DA A 4 4.152 4.197 9.319 1.00 0.24 C ATOM 102 N9 DA A 4 3.630 2.829 9.634 1.00 0.23 N ATOM 103 C8 DA A 4 4.287 1.635 9.853 1.00 0.26 C ATOM 104 N7 DA A 4 3.505 0.599 9.998 1.00 0.28 N ATOM 105 C5 DA A 4 2.242 1.119 9.881 1.00 0.25 C ATOM 106 C6 DA A 4 0.998 0.479 9.922 1.00 0.25 C ATOM 107 N6 DA A 4 0.899 -0.865 10.031 1.00 0.24 N ATOM 108 N1 DA A 4 -0.084 1.263 9.795 1.00 0.26 N ATOM 109 C2 DA A 4 0.050 2.574 9.609 1.00 0.29 C ATOM 110 N3 DA A 4 1.173 3.275 9.504 1.00 0.28 N ATOM 111 C4 DA A 4 2.264 2.478 9.663 1.00 0.25 C ATOM 0 H5' DA A 4 6.817 4.647 6.168 1.00 0.45 H new ATOM 0 H5'' DA A 4 7.790 5.569 7.296 1.00 0.45 H new ATOM 0 H4' DA A 4 5.439 6.053 7.282 1.00 0.28 H new ATOM 0 H3' DA A 4 6.991 6.024 9.649 1.00 0.37 H new ATOM 0 H2' DA A 4 5.969 3.944 10.548 1.00 0.35 H new ATOM 0 H2'' DA A 4 4.865 5.150 11.179 1.00 0.35 H new ATOM 0 H1' DA A 4 3.267 4.828 9.395 1.00 0.24 H new ATOM 0 H8 DA A 4 5.364 1.563 9.901 1.00 0.26 H new ATOM 0 H61 DA A 4 -0.019 -1.308 10.059 1.00 0.24 H new ATOM 0 H62 DA A 4 1.743 -1.436 10.085 1.00 0.24 H new ATOM 0 H2 DA A 4 -0.868 3.138 9.534 1.00 0.29 H new ATOM 123 P DG A 5 5.251 8.013 10.705 1.00 0.58 P ATOM 124 OP1 DG A 5 4.774 9.315 10.312 1.00 0.78 O ATOM 125 OP2 DG A 5 6.549 7.954 11.324 1.00 0.83 O ATOM 126 O5' DG A 5 4.191 7.393 11.663 1.00 0.40 O ATOM 127 C5' DG A 5 3.312 8.087 12.359 1.00 0.72 C ATOM 128 C4' DG A 5 1.825 8.023 12.075 1.00 0.40 C ATOM 129 O4' DG A 5 1.463 6.679 11.629 1.00 0.27 O ATOM 130 C3' DG A 5 1.013 8.249 13.335 1.00 0.50 C ATOM 131 O3' DG A 5 -0.158 8.985 13.035 1.00 0.48 O ATOM 132 C2' DG A 5 0.665 6.785 13.760 1.00 0.58 C ATOM 133 C1' DG A 5 0.528 6.053 12.421 1.00 0.39 C ATOM 134 N9 DG A 5 0.933 4.616 12.524 1.00 0.38 N ATOM 135 C8 DG A 5 2.175 4.056 12.721 1.00 0.36 C ATOM 136 N7 DG A 5 2.152 2.764 12.939 1.00 0.36 N ATOM 137 C5 DG A 5 0.821 2.426 12.883 1.00 0.37 C ATOM 138 C6 DG A 5 0.210 1.170 13.051 1.00 0.38 C ATOM 139 O6 DG A 5 0.782 0.096 13.248 1.00 0.36 O ATOM 140 N1 DG A 5 -1.192 1.255 12.955 1.00 0.40 N ATOM 141 C2 DG A 5 -1.916 2.406 12.681 1.00 0.44 C ATOM 142 N2 DG A 5 -3.234 2.233 12.561 1.00 0.49 N ATOM 143 N3 DG A 5 -1.311 3.578 12.497 1.00 0.44 N ATOM 144 C4 DG A 5 0.039 3.541 12.620 1.00 0.40 C ATOM 0 H5' DG A 5 3.602 9.134 12.275 1.00 0.72 H new ATOM 0 H5'' DG A 5 3.444 7.803 13.403 1.00 0.72 H new ATOM 0 H4' DG A 5 1.617 8.787 11.326 1.00 0.40 H new ATOM 0 H3' DG A 5 1.529 8.816 14.109 1.00 0.50 H new ATOM 0 H2' DG A 5 1.449 6.349 14.379 1.00 0.58 H new ATOM 0 H2'' DG A 5 -0.258 6.742 14.338 1.00 0.58 H new ATOM 0 H1' DG A 5 -0.499 6.080 12.058 1.00 0.39 H new ATOM 0 H8 DG A 5 3.089 4.631 12.698 1.00 0.36 H new ATOM 0 H1 DG A 5 -1.722 0.395 13.100 1.00 0.40 H new ATOM 0 H21 DG A 5 -3.837 3.031 12.360 1.00 0.49 H new ATOM 0 H22 DG A 5 -3.638 1.303 12.671 1.00 0.49 H new ATOM 156 P DG A 6 -0.946 9.789 14.114 1.00 0.73 P ATOM 157 OP1 DG A 6 -1.889 10.638 13.440 1.00 0.90 O ATOM 158 OP2 DG A 6 0.035 10.431 14.958 1.00 0.97 O ATOM 159 O5' DG A 6 -1.729 8.670 14.927 1.00 0.62 O ATOM 160 C5' DG A 6 -2.900 8.068 14.395 1.00 0.58 C ATOM 161 C4' DG A 6 -3.440 6.878 15.162 1.00 0.35 C ATOM 162 O4' DG A 6 -2.681 5.682 14.919 1.00 0.17 O ATOM 163 C3' DG A 6 -3.475 6.992 16.686 1.00 0.39 C ATOM 164 O3' DG A 6 -4.757 7.349 17.166 1.00 0.34 O ATOM 165 C2' DG A 6 -3.105 5.580 17.139 1.00 0.54 C ATOM 166 C1' DG A 6 -2.974 4.746 15.888 1.00 0.39 C ATOM 167 N9 DG A 6 -1.909 3.691 15.912 1.00 0.44 N ATOM 168 C8 DG A 6 -0.563 3.860 15.884 1.00 0.46 C ATOM 169 N7 DG A 6 0.125 2.774 16.129 1.00 0.48 N ATOM 170 C5 DG A 6 -0.813 1.788 16.272 1.00 0.47 C ATOM 171 C6 DG A 6 -0.640 0.411 16.515 1.00 0.49 C ATOM 172 O6 DG A 6 0.419 -0.190 16.652 1.00 0.51 O ATOM 173 N1 DG A 6 -1.872 -0.264 16.585 1.00 0.50 N ATOM 174 C2 DG A 6 -3.117 0.307 16.422 1.00 0.50 C ATOM 175 N2 DG A 6 -4.132 -0.557 16.454 1.00 0.53 N ATOM 176 N3 DG A 6 -3.259 1.620 16.207 1.00 0.48 N ATOM 177 C4 DG A 6 -2.091 2.312 16.139 1.00 0.46 C ATOM 0 H5' DG A 6 -2.690 7.752 13.373 1.00 0.58 H new ATOM 0 H5'' DG A 6 -3.682 8.826 14.340 1.00 0.58 H new ATOM 0 H4' DG A 6 -4.461 6.845 14.781 1.00 0.35 H new ATOM 0 H3' DG A 6 -2.808 7.768 17.062 1.00 0.39 H new ATOM 0 H2' DG A 6 -2.171 5.586 17.700 1.00 0.54 H new ATOM 0 H2'' DG A 6 -3.871 5.172 17.798 1.00 0.54 H new ATOM 0 H1' DG A 6 -3.886 4.170 15.733 1.00 0.39 H new ATOM 0 H8 DG A 6 -0.098 4.812 15.677 1.00 0.46 H new ATOM 0 H1 DG A 6 -1.842 -1.266 16.773 1.00 0.50 H new ATOM 0 H21 DG A 6 -5.089 -0.223 16.342 1.00 0.53 H new ATOM 0 H22 DG A 6 -3.951 -1.551 16.591 1.00 0.53 H new TER 189 DG A 6 ATOM 190 OP3 DC B 8 -8.247 1.678 27.285 1.00 0.55 O ATOM 191 P DC B 8 -8.632 2.295 25.773 1.00 1.50 P ATOM 192 OP1 DC B 8 -7.893 3.717 25.625 1.00 0.00 O ATOM 193 OP2 DC B 8 -10.231 2.477 25.714 1.00 0.00 O ATOM 194 O5' DC B 8 -8.232 1.462 24.669 1.00 1.08 O ATOM 195 C5' DC B 8 -8.920 0.763 23.721 1.00 1.10 C ATOM 196 C4' DC B 8 -8.337 -0.492 23.221 1.00 0.65 C ATOM 197 O4' DC B 8 -7.027 -0.231 22.710 1.00 0.50 O ATOM 198 C3' DC B 8 -8.138 -1.559 24.227 1.00 0.60 C ATOM 199 O3' DC B 8 -8.198 -2.772 23.606 1.00 0.44 O ATOM 200 C2' DC B 8 -6.701 -1.219 24.730 1.00 0.56 C ATOM 201 C1' DC B 8 -6.015 -0.759 23.481 1.00 0.22 C ATOM 202 N1 DC B 8 -4.888 0.212 23.673 1.00 0.25 N ATOM 203 C2 DC B 8 -3.561 -0.318 23.847 1.00 0.25 C ATOM 204 O2 DC B 8 -3.308 -1.519 23.877 1.00 0.24 O ATOM 205 N3 DC B 8 -2.534 0.569 23.919 1.00 0.27 N ATOM 206 C4 DC B 8 -2.714 1.879 23.825 1.00 0.30 C ATOM 207 N4 DC B 8 -1.663 2.698 23.865 1.00 0.33 N ATOM 208 C5 DC B 8 -4.009 2.431 23.670 1.00 0.31 C ATOM 209 C6 DC B 8 -5.048 1.595 23.621 1.00 0.29 C ATOM 0 H5' DC B 8 -9.072 1.423 22.867 1.00 1.10 H new ATOM 0 H5'' DC B 8 -9.905 0.534 24.127 1.00 1.10 H new ATOM 0 H4' DC B 8 -9.063 -0.841 22.486 1.00 0.65 H new ATOM 0 H3' DC B 8 -8.873 -1.608 25.031 1.00 0.60 H new ATOM 0 H2' DC B 8 -6.713 -0.442 25.495 1.00 0.56 H new ATOM 0 H2'' DC B 8 -6.208 -2.088 25.166 1.00 0.56 H new ATOM 0 H1' DC B 8 -5.502 -1.600 23.014 1.00 0.22 H new ATOM 0 H41 DC B 8 -1.799 3.706 23.793 1.00 0.33 H new ATOM 0 H42 DC B 8 -0.723 2.316 23.968 1.00 0.33 H new ATOM 0 H5 DC B 8 -4.152 3.499 23.594 1.00 0.31 H new ATOM 0 H6 DC B 8 -6.044 2.003 23.538 1.00 0.29 H new ATOM 221 P DT B 9 -8.510 -4.102 24.175 1.00 0.76 P ATOM 222 OP1 DT B 9 -8.568 -4.989 23.141 1.00 1.03 O ATOM 223 OP2 DT B 9 -9.639 -3.950 24.948 1.00 1.15 O ATOM 224 O5' DT B 9 -7.295 -4.456 25.083 1.00 0.61 O ATOM 225 C5' DT B 9 -6.268 -5.312 24.863 1.00 0.62 C ATOM 226 C4' DT B 9 -5.175 -5.287 25.905 1.00 0.47 C ATOM 227 O4' DT B 9 -4.406 -4.053 25.850 1.00 0.29 O ATOM 228 C3' DT B 9 -5.682 -5.396 27.368 1.00 0.45 C ATOM 229 O3' DT B 9 -4.873 -6.304 28.091 1.00 0.59 O ATOM 230 C2' DT B 9 -5.453 -3.952 27.894 1.00 0.28 C ATOM 231 C1' DT B 9 -4.169 -3.520 27.158 1.00 0.28 C ATOM 232 N1 DT B 9 -3.792 -2.035 27.153 1.00 0.28 N ATOM 233 C2 DT B 9 -2.409 -1.767 27.257 1.00 0.25 C ATOM 234 O2 DT B 9 -1.497 -2.572 27.353 1.00 0.28 O ATOM 235 N3 DT B 9 -2.109 -0.428 27.378 1.00 0.26 N ATOM 236 C4 DT B 9 -2.949 0.641 27.551 1.00 0.36 C ATOM 237 O4 DT B 9 -2.474 1.743 27.640 1.00 0.38 O ATOM 238 C5 DT B 9 -4.353 0.280 27.645 1.00 0.50 C ATOM 239 C7 DT B 9 -5.299 1.336 28.147 1.00 0.76 C ATOM 240 C6 DT B 9 -4.726 -0.981 27.348 1.00 0.42 C ATOM 0 H5' DT B 9 -5.828 -5.084 23.892 1.00 0.62 H new ATOM 0 H5'' DT B 9 -6.667 -6.325 24.802 1.00 0.62 H new ATOM 0 H4' DT B 9 -4.575 -6.163 25.658 1.00 0.47 H new ATOM 0 H3' DT B 9 -6.710 -5.748 27.459 1.00 0.45 H new ATOM 0 H2' DT B 9 -6.293 -3.298 27.660 1.00 0.28 H new ATOM 0 H2'' DT B 9 -5.325 -3.931 28.976 1.00 0.28 H new ATOM 0 H1' DT B 9 -3.284 -3.893 27.674 1.00 0.28 H new ATOM 0 H3 DT B 9 -1.116 -0.198 27.332 1.00 0.26 H new ATOM 0 H71 DT B 9 -4.774 1.996 28.837 1.00 0.76 H new ATOM 0 H72 DT B 9 -5.676 1.917 27.305 1.00 0.76 H new ATOM 0 H73 DT B 9 -6.134 0.861 28.663 1.00 0.76 H new ATOM 0 H6 DT B 9 -5.779 -1.200 27.254 1.00 0.42 H new ATOM 253 P DT B 10 -5.248 -6.943 29.470 1.00 0.45 P ATOM 254 OP1 DT B 10 -6.447 -7.647 29.310 1.00 0.37 O ATOM 255 OP2 DT B 10 -5.256 -5.972 30.533 1.00 0.67 O ATOM 256 O5' DT B 10 -4.150 -7.961 29.642 1.00 0.64 O ATOM 257 C5' DT B 10 -3.108 -8.102 30.405 1.00 1.01 C ATOM 258 C4' DT B 10 -1.737 -7.769 29.977 1.00 0.58 C ATOM 259 O4' DT B 10 -1.658 -6.374 29.678 1.00 0.43 O ATOM 260 C3' DT B 10 -0.710 -7.980 31.017 1.00 0.66 C ATOM 261 O3' DT B 10 0.481 -8.414 30.483 1.00 0.55 O ATOM 262 C2' DT B 10 -0.565 -6.561 31.607 1.00 0.67 C ATOM 263 C1' DT B 10 -0.744 -5.697 30.396 1.00 0.28 C ATOM 264 N1 DT B 10 -1.235 -4.290 30.625 1.00 0.30 N ATOM 265 C2 DT B 10 -0.279 -3.307 30.804 1.00 0.20 C ATOM 266 O2 DT B 10 0.889 -3.496 30.944 1.00 0.27 O ATOM 267 N3 DT B 10 -0.732 -2.018 30.903 1.00 0.19 N ATOM 268 C4 DT B 10 -2.004 -1.578 30.841 1.00 0.31 C ATOM 269 O4 DT B 10 -2.249 -0.404 30.833 1.00 0.31 O ATOM 270 C5 DT B 10 -2.967 -2.656 30.781 1.00 0.53 C ATOM 271 C7 DT B 10 -4.351 -2.226 30.939 1.00 0.81 C ATOM 272 C6 DT B 10 -2.565 -3.926 30.606 1.00 0.50 C ATOM 0 H5' DT B 10 -3.089 -9.149 30.709 1.00 1.01 H new ATOM 0 H5'' DT B 10 -3.302 -7.513 31.301 1.00 1.01 H new ATOM 0 H4' DT B 10 -1.543 -8.425 29.129 1.00 0.58 H new ATOM 0 H3' DT B 10 -0.981 -8.745 31.745 1.00 0.66 H new ATOM 0 H2' DT B 10 -1.318 -6.357 32.368 1.00 0.67 H new ATOM 0 H2'' DT B 10 0.408 -6.411 32.074 1.00 0.67 H new ATOM 0 H1' DT B 10 0.227 -5.536 29.928 1.00 0.28 H new ATOM 0 H3 DT B 10 -0.018 -1.303 31.041 1.00 0.19 H new ATOM 0 H71 DT B 10 -4.386 -1.338 31.570 1.00 0.81 H new ATOM 0 H72 DT B 10 -4.774 -1.993 29.962 1.00 0.81 H new ATOM 0 H73 DT B 10 -4.929 -3.025 31.403 1.00 0.81 H new ATOM 0 H6 DT B 10 -3.311 -4.690 30.444 1.00 0.50 H new ATOM 285 P DG B 11 1.450 -9.320 31.219 1.00 0.77 P ATOM 286 OP1 DG B 11 2.424 -9.772 30.342 1.00 1.02 O ATOM 287 OP2 DG B 11 0.681 -10.299 31.850 1.00 1.08 O ATOM 288 O5' DG B 11 2.154 -8.436 32.277 1.00 0.67 O ATOM 289 C5' DG B 11 3.369 -7.858 32.088 1.00 0.75 C ATOM 290 C4' DG B 11 3.853 -6.953 33.185 1.00 0.64 C ATOM 291 O4' DG B 11 3.053 -5.736 33.281 1.00 0.49 O ATOM 292 C3' DG B 11 3.952 -7.548 34.602 1.00 0.62 C ATOM 293 O3' DG B 11 5.184 -7.144 35.189 1.00 0.69 O ATOM 294 C2' DG B 11 2.719 -6.891 35.241 1.00 0.48 C ATOM 295 C1' DG B 11 2.783 -5.485 34.651 1.00 0.49 C ATOM 296 N9 DG B 11 1.611 -4.581 34.788 1.00 0.52 N ATOM 297 C8 DG B 11 0.317 -4.869 35.086 1.00 0.64 C ATOM 298 N7 DG B 11 -0.506 -3.855 34.986 1.00 0.58 N ATOM 299 C5 DG B 11 0.305 -2.799 34.668 1.00 0.43 C ATOM 300 C6 DG B 11 -0.024 -1.455 34.462 1.00 0.33 C ATOM 301 O6 DG B 11 -1.148 -0.957 34.486 1.00 0.33 O ATOM 302 N1 DG B 11 1.120 -0.678 34.242 1.00 0.23 N ATOM 303 C2 DG B 11 2.418 -1.144 34.192 1.00 0.22 C ATOM 304 N2 DG B 11 3.327 -0.176 34.091 1.00 0.16 N ATOM 305 N3 DG B 11 2.692 -2.438 34.286 1.00 0.28 N ATOM 306 C4 DG B 11 1.624 -3.211 34.550 1.00 0.40 C ATOM 0 H5' DG B 11 3.335 -7.285 31.162 1.00 0.75 H new ATOM 0 H5'' DG B 11 4.106 -8.649 31.947 1.00 0.75 H new ATOM 0 H4' DG B 11 4.875 -6.756 32.861 1.00 0.64 H new ATOM 0 H3' DG B 11 3.953 -8.634 34.693 1.00 0.62 H new ATOM 0 H2' DG B 11 1.796 -7.406 34.975 1.00 0.48 H new ATOM 0 H2'' DG B 11 2.777 -6.882 36.329 1.00 0.48 H new ATOM 0 H1' DG B 11 3.524 -4.918 35.215 1.00 0.49 H new ATOM 0 H8 DG B 11 -0.007 -5.856 35.382 1.00 0.64 H new ATOM 0 H1 DG B 11 0.981 0.323 34.106 1.00 0.23 H new ATOM 0 H21 DG B 11 4.319 -0.410 34.047 1.00 0.16 H new ATOM 0 H22 DG B 11 3.031 0.800 34.058 1.00 0.16 H new ATOM 318 P DG B 12 5.647 -7.531 36.636 1.00 0.66 P ATOM 319 OP1 DG B 12 6.175 -8.848 36.609 1.00 0.55 O ATOM 320 OP2 DG B 12 4.609 -7.301 37.625 1.00 0.78 O ATOM 321 O5' DG B 12 6.808 -6.548 36.853 1.00 0.89 O ATOM 322 C5' DG B 12 7.091 -5.700 37.764 1.00 1.27 C ATOM 323 C4' DG B 12 7.081 -4.228 37.528 1.00 0.88 C ATOM 324 O4' DG B 12 5.747 -3.811 37.167 1.00 0.71 O ATOM 325 C3' DG B 12 7.412 -3.443 38.766 1.00 0.90 C ATOM 326 O3' DG B 12 8.214 -2.325 38.481 1.00 0.77 O ATOM 327 C2' DG B 12 6.005 -3.006 39.249 1.00 0.79 C ATOM 328 C1' DG B 12 5.227 -2.822 37.974 1.00 0.49 C ATOM 329 N9 DG B 12 3.747 -2.982 38.095 1.00 0.50 N ATOM 330 C8 DG B 12 3.015 -4.091 38.403 1.00 0.63 C ATOM 331 N7 DG B 12 1.725 -3.879 38.508 1.00 0.64 N ATOM 332 C5 DG B 12 1.564 -2.554 38.215 1.00 0.49 C ATOM 333 C6 DG B 12 0.385 -1.788 38.167 1.00 0.46 C ATOM 334 O6 DG B 12 -0.754 -2.169 38.416 1.00 0.56 O ATOM 335 N1 DG B 12 0.643 -0.470 37.806 1.00 0.34 N ATOM 336 C2 DG B 12 1.879 0.059 37.518 1.00 0.26 C ATOM 337 N2 DG B 12 1.813 1.322 37.131 1.00 0.31 N ATOM 338 N3 DG B 12 2.992 -0.669 37.608 1.00 0.28 N ATOM 339 C4 DG B 12 2.787 -1.963 37.944 1.00 0.40 C ATOM 0 H5' DG B 12 8.090 -5.950 38.122 1.00 1.27 H new ATOM 0 H5'' DG B 12 6.402 -5.887 38.587 1.00 1.27 H new ATOM 0 H4' DG B 12 7.822 -4.041 36.750 1.00 0.88 H new ATOM 0 H3' DG B 12 7.983 -4.012 39.499 1.00 0.90 H new ATOM 0 H2' DG B 12 5.550 -3.761 39.890 1.00 0.79 H new ATOM 0 H2'' DG B 12 6.050 -2.083 39.827 1.00 0.79 H new ATOM 0 H1' DG B 12 5.331 -1.802 37.605 1.00 0.49 H new ATOM 0 H8 DG B 12 3.461 -5.064 38.548 1.00 0.63 H new ATOM 0 H1 DG B 12 -0.156 0.161 37.750 1.00 0.34 H new ATOM 0 H21 DG B 12 2.666 1.826 36.889 1.00 0.31 H new ATOM 0 H22 DG B 12 0.909 1.792 37.075 1.00 0.31 H new ATOM 351 P DG B 13 9.369 -1.861 39.392 1.00 0.79 P ATOM 352 OP1 DG B 13 10.602 -2.419 38.947 1.00 0.57 O ATOM 353 OP2 DG B 13 9.042 -2.110 40.750 1.00 1.12 O ATOM 354 O5' DG B 13 9.331 -0.314 39.161 1.00 0.92 O ATOM 355 C5' DG B 13 9.693 0.277 37.937 1.00 0.87 C ATOM 356 C4' DG B 13 9.027 1.571 37.613 1.00 0.77 C ATOM 357 O4' DG B 13 7.572 1.447 37.509 1.00 0.67 O ATOM 358 C3' DG B 13 9.250 2.649 38.568 1.00 1.12 C ATOM 359 O3' DG B 13 9.558 3.800 37.950 1.00 1.37 O ATOM 360 C2' DG B 13 7.884 2.783 39.253 1.00 1.24 C ATOM 361 C1' DG B 13 6.830 2.223 38.361 1.00 0.88 C ATOM 362 N9 DG B 13 5.810 1.431 39.037 1.00 0.82 N ATOM 363 C8 DG B 13 5.885 0.176 39.503 1.00 0.97 C ATOM 364 N7 DG B 13 4.807 -0.213 40.080 1.00 1.09 N ATOM 365 C5 DG B 13 3.924 0.807 39.965 1.00 0.91 C ATOM 366 C6 DG B 13 2.592 0.892 40.367 1.00 0.93 C ATOM 367 O6 DG B 13 1.938 0.001 40.836 1.00 1.14 O ATOM 368 N1 DG B 13 2.019 2.109 40.092 1.00 0.71 N ATOM 369 C2 DG B 13 2.632 3.111 39.468 1.00 0.59 C ATOM 370 N2 DG B 13 1.801 4.117 39.307 1.00 0.51 N ATOM 371 N3 DG B 13 3.910 3.018 39.078 1.00 0.66 N ATOM 372 C4 DG B 13 4.503 1.850 39.340 1.00 0.75 C ATOM 0 H5' DG B 13 9.476 -0.431 37.137 1.00 0.87 H new ATOM 0 H5'' DG B 13 10.771 0.437 37.938 1.00 0.87 H new ATOM 0 H4' DG B 13 9.495 1.824 36.662 1.00 0.77 H new ATOM 0 H3' DG B 13 10.076 2.441 39.247 1.00 1.12 H new ATOM 0 H2' DG B 13 7.889 2.254 40.206 1.00 1.24 H new ATOM 0 H2'' DG B 13 7.674 3.830 39.470 1.00 1.24 H new ATOM 0 HO3' DG B 13 9.700 4.503 38.618 1.00 1.37 H new ATOM 0 H1' DG B 13 6.242 3.009 37.888 1.00 0.88 H new ATOM 0 H8 DG B 13 6.763 -0.444 39.403 1.00 0.97 H new ATOM 0 H1 DG B 13 1.054 2.255 40.387 1.00 0.71 H new ATOM 0 H21 DG B 13 2.116 4.969 38.843 1.00 0.51 H new ATOM 0 H22 DG B 13 0.842 4.045 39.646 1.00 0.51 H new TER 384 DG B 13 ATOM 385 O5' DC C 14 -5.707 1.218 43.618 1.00 0.85 O ATOM 386 C5' DC C 14 -6.132 1.515 42.550 1.00 0.82 C ATOM 387 C4' DC C 14 -5.628 2.837 41.968 1.00 0.69 C ATOM 388 O4' DC C 14 -4.170 2.876 42.005 1.00 0.51 O ATOM 389 C3' DC C 14 -6.009 3.052 40.504 1.00 0.75 C ATOM 390 O3' DC C 14 -6.086 4.430 40.226 1.00 0.70 O ATOM 391 C2' DC C 14 -4.794 2.471 39.753 1.00 0.65 C ATOM 392 C1' DC C 14 -3.586 2.731 40.711 1.00 0.49 C ATOM 393 N1 DC C 14 -2.599 1.607 40.812 1.00 0.54 N ATOM 394 C2 DC C 14 -1.207 1.910 40.800 1.00 0.48 C ATOM 395 O2 DC C 14 -0.757 3.039 40.587 1.00 0.39 O ATOM 396 N3 DC C 14 -0.330 0.912 41.043 1.00 0.61 N ATOM 397 C4 DC C 14 -0.731 -0.330 41.265 1.00 0.75 C ATOM 398 N4 DC C 14 0.184 -1.260 41.501 1.00 0.90 N ATOM 399 C5 DC C 14 -2.105 -0.667 41.259 1.00 0.80 C ATOM 400 C6 DC C 14 -2.981 0.305 41.061 1.00 0.71 C ATOM 0 H5' DC C 14 -7.219 1.561 42.614 1.00 0.82 H new ATOM 0 H5'' DC C 14 -5.887 0.717 41.849 1.00 0.82 H new ATOM 0 H4' DC C 14 -6.094 3.609 42.580 1.00 0.69 H new ATOM 0 H3' DC C 14 -6.966 2.603 40.238 1.00 0.75 H new ATOM 0 H2' DC C 14 -4.921 1.407 39.554 1.00 0.65 H new ATOM 0 H2'' DC C 14 -4.650 2.961 38.790 1.00 0.65 H new ATOM 0 HO5' DC C 14 -4.776 1.515 43.694 1.00 0.85 H new ATOM 0 H1' DC C 14 -3.034 3.590 40.330 1.00 0.49 H new ATOM 0 H41 DC C 14 -0.101 -2.224 41.675 1.00 0.90 H new ATOM 0 H42 DC C 14 1.173 -1.012 41.509 1.00 0.90 H new ATOM 0 H5 DC C 14 -2.429 -1.686 41.411 1.00 0.80 H new ATOM 0 H6 DC C 14 -4.035 0.070 41.096 1.00 0.71 H new ATOM 413 P DC C 15 -7.037 5.065 39.229 1.00 0.72 P ATOM 414 OP1 DC C 15 -7.140 6.488 39.534 1.00 0.71 O ATOM 415 OP2 DC C 15 -8.249 4.278 39.194 1.00 0.81 O ATOM 416 O5' DC C 15 -6.304 4.894 37.905 1.00 0.94 O ATOM 417 C5' DC C 15 -5.628 5.881 37.331 1.00 1.23 C ATOM 418 C4' DC C 15 -4.195 6.241 37.672 1.00 0.97 C ATOM 419 O4' DC C 15 -3.424 5.031 37.973 1.00 0.89 O ATOM 420 C3' DC C 15 -3.421 6.929 36.585 1.00 0.68 C ATOM 421 O3' DC C 15 -2.406 7.715 37.117 1.00 0.59 O ATOM 422 C2' DC C 15 -2.892 5.685 35.830 1.00 0.54 C ATOM 423 C1' DC C 15 -2.538 4.704 36.947 1.00 0.59 C ATOM 424 N1 DC C 15 -2.604 3.210 36.704 1.00 0.56 N ATOM 425 C2 DC C 15 -1.434 2.443 36.956 1.00 0.43 C ATOM 426 O2 DC C 15 -0.310 2.944 36.987 1.00 0.41 O ATOM 427 N3 DC C 15 -1.548 1.092 37.115 1.00 0.40 N ATOM 428 C4 DC C 15 -2.698 0.455 36.944 1.00 0.48 C ATOM 429 N4 DC C 15 -2.756 -0.873 37.102 1.00 0.46 N ATOM 430 C5 DC C 15 -3.859 1.181 36.605 1.00 0.66 C ATOM 431 C6 DC C 15 -3.780 2.511 36.527 1.00 0.70 C ATOM 0 H5' DC C 15 -6.215 6.785 37.492 1.00 1.23 H new ATOM 0 H5'' DC C 15 -5.644 5.677 36.260 1.00 1.23 H new ATOM 0 H4' DC C 15 -4.304 6.925 38.514 1.00 0.97 H new ATOM 0 H3' DC C 15 -3.980 7.628 35.963 1.00 0.68 H new ATOM 0 H2' DC C 15 -3.647 5.273 35.160 1.00 0.54 H new ATOM 0 H2'' DC C 15 -2.022 5.927 35.220 1.00 0.54 H new ATOM 0 H1' DC C 15 -1.471 4.832 37.129 1.00 0.59 H new ATOM 0 H41 DC C 15 -3.640 -1.364 36.971 1.00 0.46 H new ATOM 0 H42 DC C 15 -1.916 -1.394 37.354 1.00 0.46 H new ATOM 0 H5 DC C 15 -4.792 0.672 36.413 1.00 0.66 H new ATOM 0 H6 DC C 15 -4.681 3.067 36.315 1.00 0.70 H new ATOM 443 P DC C 16 -1.416 8.590 36.342 1.00 0.36 P ATOM 444 OP1 DC C 16 -0.981 9.634 37.204 1.00 0.67 O ATOM 445 OP2 DC C 16 -2.003 8.998 35.097 1.00 0.25 O ATOM 446 O5' DC C 16 -0.209 7.589 36.080 1.00 0.32 O ATOM 447 C5' DC C 16 0.616 7.126 37.145 1.00 0.42 C ATOM 448 C4' DC C 16 1.925 6.409 36.727 1.00 0.51 C ATOM 449 O4' DC C 16 1.634 5.118 36.090 1.00 0.44 O ATOM 450 C3' DC C 16 2.825 7.119 35.729 1.00 0.53 C ATOM 451 O3' DC C 16 4.167 6.695 35.902 1.00 0.75 O ATOM 452 C2' DC C 16 2.231 6.602 34.400 1.00 0.36 C ATOM 453 C1' DC C 16 2.039 5.102 34.729 1.00 0.28 C ATOM 454 N1 DC C 16 1.076 4.244 33.980 1.00 0.17 N ATOM 455 C2 DC C 16 1.434 2.860 33.861 1.00 0.16 C ATOM 456 O2 DC C 16 2.611 2.489 33.833 1.00 0.21 O ATOM 457 N3 DC C 16 0.437 1.932 33.730 1.00 0.15 N ATOM 458 C4 DC C 16 -0.830 2.285 33.550 1.00 0.22 C ATOM 459 N4 DC C 16 -1.772 1.325 33.414 1.00 0.25 N ATOM 460 C5 DC C 16 -1.179 3.667 33.472 1.00 0.36 C ATOM 461 C6 DC C 16 -0.232 4.589 33.719 1.00 0.30 C ATOM 0 H5' DC C 16 0.031 6.442 37.761 1.00 0.42 H new ATOM 0 H5'' DC C 16 0.876 7.978 37.773 1.00 0.42 H new ATOM 0 H4' DC C 16 2.449 6.350 37.681 1.00 0.51 H new ATOM 0 H3' DC C 16 2.855 8.206 35.810 1.00 0.53 H new ATOM 0 H2' DC C 16 1.291 7.093 34.149 1.00 0.36 H new ATOM 0 H2'' DC C 16 2.906 6.757 33.558 1.00 0.36 H new ATOM 0 H1' DC C 16 2.979 4.630 34.445 1.00 0.28 H new ATOM 0 H41 DC C 16 -2.749 1.585 33.275 1.00 0.25 H new ATOM 0 H42 DC C 16 -1.506 0.341 33.450 1.00 0.25 H new ATOM 0 H5 DC C 16 -2.185 3.967 33.219 1.00 0.36 H new ATOM 0 H6 DC C 16 -0.506 5.634 33.713 1.00 0.30 H new ATOM 473 P DA C 17 5.410 6.988 35.042 1.00 0.97 P ATOM 474 OP1 DA C 17 6.564 6.930 35.848 1.00 1.35 O ATOM 475 OP2 DA C 17 5.180 8.217 34.370 1.00 1.11 O ATOM 476 O5' DA C 17 5.512 5.813 33.999 1.00 0.70 O ATOM 477 C5' DA C 17 5.787 4.495 34.365 1.00 0.55 C ATOM 478 C4' DA C 17 6.343 3.544 33.269 1.00 0.42 C ATOM 479 O4' DA C 17 5.236 2.788 32.656 1.00 0.27 O ATOM 480 C3' DA C 17 7.132 4.113 32.066 1.00 0.46 C ATOM 481 O3' DA C 17 8.055 3.132 31.593 1.00 0.45 O ATOM 482 C2' DA C 17 5.968 4.305 31.050 1.00 0.40 C ATOM 483 C1' DA C 17 5.173 2.991 31.243 1.00 0.23 C ATOM 484 N9 DA C 17 3.726 2.961 30.873 1.00 0.18 N ATOM 485 C8 DA C 17 2.796 3.960 30.671 1.00 0.19 C ATOM 486 N7 DA C 17 1.560 3.533 30.597 1.00 0.20 N ATOM 487 C5 DA C 17 1.668 2.169 30.670 1.00 0.18 C ATOM 488 C6 DA C 17 0.688 1.167 30.592 1.00 0.18 C ATOM 489 N6 DA C 17 -0.617 1.469 30.434 1.00 0.18 N ATOM 490 N1 DA C 17 1.121 -0.109 30.668 1.00 0.19 N ATOM 491 C2 DA C 17 2.418 -0.360 30.807 1.00 0.22 C ATOM 492 N3 DA C 17 3.402 0.498 30.909 1.00 0.21 N ATOM 493 C4 DA C 17 2.969 1.775 30.833 1.00 0.18 C ATOM 0 H5' DA C 17 4.869 4.056 34.756 1.00 0.55 H new ATOM 0 H5'' DA C 17 6.504 4.517 35.186 1.00 0.55 H new ATOM 0 H4' DA C 17 7.066 2.980 33.858 1.00 0.42 H new ATOM 0 H3' DA C 17 7.720 5.009 32.264 1.00 0.46 H new ATOM 0 H2' DA C 17 5.367 5.186 31.276 1.00 0.40 H new ATOM 0 H2'' DA C 17 6.330 4.420 30.028 1.00 0.40 H new ATOM 0 H1' DA C 17 5.616 2.250 30.578 1.00 0.23 H new ATOM 0 H8 DA C 17 3.064 5.002 30.582 1.00 0.19 H new ATOM 0 H61 DA C 17 -1.310 0.723 30.380 1.00 0.18 H new ATOM 0 H62 DA C 17 -0.911 2.444 30.368 1.00 0.18 H new ATOM 0 H2 DA C 17 2.696 -1.403 30.840 1.00 0.22 H new ATOM 505 P DA C 18 8.992 3.185 30.362 1.00 0.58 P ATOM 506 OP1 DA C 18 10.295 2.694 30.766 1.00 0.77 O ATOM 507 OP2 DA C 18 8.945 4.520 29.798 1.00 0.76 O ATOM 508 O5' DA C 18 8.384 2.175 29.323 1.00 0.41 O ATOM 509 C5' DA C 18 8.651 0.806 29.461 1.00 0.40 C ATOM 510 C4' DA C 18 7.933 -0.151 28.523 1.00 0.26 C ATOM 511 O4' DA C 18 6.507 -0.026 28.689 1.00 0.28 O ATOM 512 C3' DA C 18 8.208 -0.005 27.013 1.00 0.29 C ATOM 513 O3' DA C 18 8.478 -1.266 26.431 1.00 0.35 O ATOM 514 C2' DA C 18 6.890 0.563 26.506 1.00 0.27 C ATOM 515 C1' DA C 18 5.879 -0.044 27.447 1.00 0.22 C ATOM 516 N9 DA C 18 4.614 0.728 27.550 1.00 0.22 N ATOM 517 C8 DA C 18 4.485 2.070 27.702 1.00 0.24 C ATOM 518 N7 DA C 18 3.264 2.512 27.594 1.00 0.23 N ATOM 519 C5 DA C 18 2.523 1.374 27.400 1.00 0.21 C ATOM 520 C6 DA C 18 1.142 1.201 27.243 1.00 0.22 C ATOM 521 N6 DA C 18 0.317 2.261 27.253 1.00 0.23 N ATOM 522 N1 DA C 18 0.701 -0.064 27.101 1.00 0.22 N ATOM 523 C2 DA C 18 1.569 -1.073 27.112 1.00 0.21 C ATOM 524 N3 DA C 18 2.888 -1.021 27.243 1.00 0.20 N ATOM 525 C4 DA C 18 3.311 0.254 27.382 1.00 0.20 C ATOM 0 H5' DA C 18 8.409 0.518 30.484 1.00 0.40 H new ATOM 0 H5'' DA C 18 9.724 0.659 29.334 1.00 0.40 H new ATOM 0 H4' DA C 18 8.338 -1.119 28.818 1.00 0.26 H new ATOM 0 H3' DA C 18 9.072 0.615 26.775 1.00 0.29 H new ATOM 0 H2' DA C 18 6.877 1.652 26.546 1.00 0.27 H new ATOM 0 H2'' DA C 18 6.699 0.280 25.471 1.00 0.27 H new ATOM 0 H1' DA C 18 5.594 -1.033 27.089 1.00 0.22 H new ATOM 0 H8 DA C 18 5.326 2.719 27.897 1.00 0.24 H new ATOM 0 H61 DA C 18 -0.688 2.127 27.138 1.00 0.23 H new ATOM 0 H62 DA C 18 0.695 3.200 27.376 1.00 0.23 H new ATOM 0 H2 DA C 18 1.145 -2.060 27.000 1.00 0.21 H new ATOM 537 P DG C 19 8.835 -1.605 24.930 1.00 0.35 P ATOM 538 OP1 DG C 19 10.110 -2.321 24.904 1.00 0.37 O ATOM 539 OP2 DG C 19 8.727 -0.401 24.092 1.00 0.37 O ATOM 540 O5' DG C 19 7.665 -2.578 24.529 1.00 0.38 O ATOM 541 C5' DG C 19 7.584 -3.889 25.046 1.00 0.54 C ATOM 542 C4' DG C 19 6.292 -4.648 24.743 1.00 0.36 C ATOM 543 O4' DG C 19 5.151 -3.819 25.123 1.00 0.28 O ATOM 544 C3' DG C 19 6.090 -4.999 23.260 1.00 0.40 C ATOM 545 O3' DG C 19 5.395 -6.229 23.157 1.00 0.38 O ATOM 546 C2' DG C 19 5.195 -3.810 22.801 1.00 0.35 C ATOM 547 C1' DG C 19 4.291 -3.607 24.043 1.00 0.20 C ATOM 548 N9 DG C 19 3.680 -2.249 24.132 1.00 0.22 N ATOM 549 C8 DG C 19 4.259 -0.997 24.166 1.00 0.28 C ATOM 550 N7 DG C 19 3.412 -0.010 23.996 1.00 0.29 N ATOM 551 C5 DG C 19 2.185 -0.621 23.921 1.00 0.25 C ATOM 552 C6 DG C 19 0.914 -0.036 23.798 1.00 0.26 C ATOM 553 O6 DG C 19 0.665 1.164 23.690 1.00 0.28 O ATOM 554 N1 DG C 19 -0.104 -1.003 23.817 1.00 0.25 N ATOM 555 C2 DG C 19 0.084 -2.376 23.917 1.00 0.23 C ATOM 556 N2 DG C 19 -1.061 -3.071 23.915 1.00 0.26 N ATOM 557 N3 DG C 19 1.298 -2.904 24.001 1.00 0.21 N ATOM 558 C4 DG C 19 2.306 -2.000 24.004 1.00 0.22 C ATOM 0 H5' DG C 19 7.709 -3.840 26.128 1.00 0.54 H new ATOM 0 H5'' DG C 19 8.422 -4.466 24.654 1.00 0.54 H new ATOM 0 H4' DG C 19 6.367 -5.578 25.306 1.00 0.36 H new ATOM 0 H3' DG C 19 7.003 -5.120 22.676 1.00 0.40 H new ATOM 0 H2' DG C 19 5.781 -2.920 22.570 1.00 0.35 H new ATOM 0 H2'' DG C 19 4.618 -4.052 21.908 1.00 0.35 H new ATOM 0 H1' DG C 19 3.438 -4.285 24.009 1.00 0.20 H new ATOM 0 H8 DG C 19 5.317 -0.843 24.319 1.00 0.28 H new ATOM 0 H1 DG C 19 -1.065 -0.668 23.752 1.00 0.25 H new ATOM 0 H21 DG C 19 -1.040 -4.088 23.984 1.00 0.26 H new ATOM 0 H22 DG C 19 -1.954 -2.583 23.844 1.00 0.26 H new ATOM 570 P DG C 20 4.927 -6.972 21.854 1.00 0.42 P ATOM 571 OP1 DG C 20 5.151 -8.398 22.061 1.00 0.43 O ATOM 572 OP2 DG C 20 5.537 -6.374 20.671 1.00 0.57 O ATOM 573 O5' DG C 20 3.375 -6.678 21.841 1.00 0.41 O ATOM 574 C5' DG C 20 2.451 -7.210 21.078 1.00 0.75 C ATOM 575 C4' DG C 20 1.001 -7.297 21.480 1.00 0.50 C ATOM 576 O4' DG C 20 0.609 -6.086 22.156 1.00 0.30 O ATOM 577 C3' DG C 20 0.056 -7.428 20.328 1.00 0.81 C ATOM 578 O3' DG C 20 -0.576 -8.673 20.229 1.00 0.63 O ATOM 579 C2' DG C 20 -0.921 -6.352 20.590 1.00 1.14 C ATOM 580 C1' DG C 20 -0.428 -5.401 21.590 1.00 0.71 C ATOM 581 N9 DG C 20 0.047 -4.107 21.027 1.00 0.64 N ATOM 582 C8 DG C 20 1.317 -3.771 20.702 1.00 0.62 C ATOM 583 N7 DG C 20 1.479 -2.536 20.327 1.00 0.59 N ATOM 584 C5 DG C 20 0.225 -1.986 20.424 1.00 0.55 C ATOM 585 C6 DG C 20 -0.196 -0.675 20.175 1.00 0.51 C ATOM 586 O6 DG C 20 0.509 0.270 19.869 1.00 0.49 O ATOM 587 N1 DG C 20 -1.576 -0.527 20.343 1.00 0.51 N ATOM 588 C2 DG C 20 -2.446 -1.521 20.721 1.00 0.59 C ATOM 589 N2 DG C 20 -3.718 -1.131 20.744 1.00 0.63 N ATOM 590 N3 DG C 20 -2.021 -2.759 20.998 1.00 0.64 N ATOM 591 C4 DG C 20 -0.695 -2.940 20.828 1.00 0.60 C ATOM 0 H5' DG C 20 2.774 -8.229 20.866 1.00 0.75 H new ATOM 0 H5'' DG C 20 2.478 -6.665 20.135 1.00 0.75 H new ATOM 0 H4' DG C 20 0.937 -8.188 22.104 1.00 0.50 H new ATOM 0 H3' DG C 20 0.579 -7.348 19.375 1.00 0.81 H new ATOM 0 H2' DG C 20 -1.137 -5.824 19.662 1.00 1.14 H new ATOM 0 H2'' DG C 20 -1.859 -6.788 20.934 1.00 1.14 H new ATOM 0 H1' DG C 20 -1.218 -5.101 22.278 1.00 0.71 H new ATOM 0 H8 DG C 20 2.134 -4.475 20.750 1.00 0.62 H new ATOM 0 H1 DG C 20 -1.971 0.398 20.170 1.00 0.51 H new ATOM 0 H21 DG C 20 -4.449 -1.790 21.011 1.00 0.63 H new ATOM 0 H22 DG C 20 -3.962 -0.173 20.495 1.00 0.63 H new ATOM 603 P DC C 21 -0.884 -9.380 18.861 1.00 0.63 P ATOM 604 OP1 DC C 21 -0.788 -10.797 19.058 1.00 0.47 O ATOM 605 OP2 DC C 21 -0.047 -8.825 17.787 1.00 0.74 O ATOM 606 O5' DC C 21 -2.377 -8.994 18.619 1.00 0.84 O ATOM 607 C5' DC C 21 -3.014 -9.074 17.545 1.00 1.03 C ATOM 608 C4' DC C 21 -4.337 -8.290 17.338 1.00 0.88 C ATOM 609 O4' DC C 21 -4.167 -6.914 17.794 1.00 0.76 O ATOM 610 C3' DC C 21 -4.716 -8.149 15.864 1.00 0.87 C ATOM 611 O3' DC C 21 -6.111 -7.899 15.704 1.00 0.82 O ATOM 612 C2' DC C 21 -3.783 -6.970 15.458 1.00 0.73 C ATOM 613 C1' DC C 21 -3.994 -6.017 16.707 1.00 0.67 C ATOM 614 N1 DC C 21 -2.753 -5.210 16.986 1.00 0.64 N ATOM 615 C2 DC C 21 -2.824 -3.785 16.990 1.00 0.58 C ATOM 616 O2 DC C 21 -3.886 -3.181 16.897 1.00 0.54 O ATOM 617 N3 DC C 21 -1.669 -3.064 17.094 1.00 0.56 N ATOM 618 C4 DC C 21 -0.483 -3.669 17.243 1.00 0.60 C ATOM 619 N4 DC C 21 0.643 -2.947 17.321 1.00 0.59 N ATOM 620 C5 DC C 21 -0.389 -5.090 17.298 1.00 0.66 C ATOM 621 C6 DC C 21 -1.508 -5.802 17.152 1.00 0.66 C ATOM 0 H5' DC C 21 -3.240 -10.128 17.386 1.00 1.03 H new ATOM 0 H5'' DC C 21 -2.335 -8.770 16.748 1.00 1.03 H new ATOM 0 H4' DC C 21 -5.097 -8.848 17.885 1.00 0.88 H new ATOM 0 H3' DC C 21 -4.578 -9.033 15.242 1.00 0.87 H new ATOM 0 H2' DC C 21 -2.745 -7.280 15.340 1.00 0.73 H new ATOM 0 H2'' DC C 21 -4.084 -6.503 14.520 1.00 0.73 H new ATOM 0 H1' DC C 21 -4.822 -5.326 16.546 1.00 0.67 H new ATOM 0 H41 DC C 21 1.542 -3.415 17.434 1.00 0.59 H new ATOM 0 H42 DC C 21 0.601 -1.929 17.267 1.00 0.59 H new ATOM 0 H5 DC C 21 0.562 -5.577 17.454 1.00 0.66 H new ATOM 0 H6 DC C 21 -1.443 -6.880 17.163 1.00 0.66 H new ATOM 633 P DC C 22 -6.843 -7.384 14.405 1.00 0.88 P ATOM 634 OP1 DC C 22 -8.269 -7.709 14.521 1.00 0.91 O ATOM 635 OP2 DC C 22 -6.124 -7.852 13.218 1.00 1.07 O ATOM 636 O5' DC C 22 -6.637 -5.815 14.482 1.00 0.72 O ATOM 637 C5' DC C 22 -7.232 -5.012 15.501 1.00 0.65 C ATOM 638 C4' DC C 22 -7.564 -3.561 15.081 1.00 0.53 C ATOM 639 O4' DC C 22 -6.343 -2.737 15.124 1.00 0.39 O ATOM 640 C3' DC C 22 -8.143 -3.342 13.668 1.00 0.66 C ATOM 641 O3' DC C 22 -9.032 -2.237 13.657 1.00 0.67 O ATOM 642 C2' DC C 22 -6.834 -3.048 12.834 1.00 0.63 C ATOM 643 C1' DC C 22 -5.972 -2.234 13.838 1.00 0.46 C ATOM 644 N1 DC C 22 -4.479 -2.425 13.635 1.00 0.43 N ATOM 645 C2 DC C 22 -3.690 -1.254 13.406 1.00 0.39 C ATOM 646 O2 DC C 22 -4.186 -0.128 13.328 1.00 0.37 O ATOM 647 N3 DC C 22 -2.334 -1.376 13.310 1.00 0.36 N ATOM 648 C4 DC C 22 -1.724 -2.552 13.430 1.00 0.39 C ATOM 649 N4 DC C 22 -0.385 -2.592 13.364 1.00 0.38 N ATOM 650 C5 DC C 22 -2.478 -3.749 13.632 1.00 0.43 C ATOM 651 C6 DC C 22 -3.820 -3.658 13.731 1.00 0.44 C ATOM 0 H5' DC C 22 -6.558 -4.981 16.357 1.00 0.65 H new ATOM 0 H5'' DC C 22 -8.150 -5.496 15.835 1.00 0.65 H new ATOM 0 H4' DC C 22 -8.340 -3.286 15.796 1.00 0.53 H new ATOM 0 H3' DC C 22 -8.728 -4.177 13.282 1.00 0.66 H new ATOM 0 H2' DC C 22 -6.336 -3.966 12.523 1.00 0.63 H new ATOM 0 H2'' DC C 22 -7.048 -2.479 11.929 1.00 0.63 H new ATOM 0 H1' DC C 22 -6.152 -1.167 13.711 1.00 0.46 H new ATOM 0 H41 DC C 22 0.104 -3.483 13.454 1.00 0.38 H new ATOM 0 H42 DC C 22 0.145 -1.732 13.224 1.00 0.38 H new ATOM 0 H5 DC C 22 -1.984 -4.706 13.704 1.00 0.43 H new ATOM 0 H6 DC C 22 -4.400 -4.556 13.888 1.00 0.44 H new ATOM 663 P DT C 23 -9.852 -1.680 12.432 1.00 0.87 P ATOM 664 OP1 DT C 23 -11.013 -1.003 12.957 1.00 1.00 O ATOM 665 OP2 DT C 23 -10.101 -2.749 11.490 1.00 1.08 O ATOM 666 O5' DT C 23 -8.898 -0.596 11.765 1.00 0.75 O ATOM 667 C5' DT C 23 -8.568 0.555 12.523 1.00 0.68 C ATOM 668 C4' DT C 23 -7.694 1.567 11.825 1.00 0.49 C ATOM 669 O4' DT C 23 -6.410 0.980 11.554 1.00 0.24 O ATOM 670 C3' DT C 23 -8.186 2.138 10.479 1.00 0.67 C ATOM 671 O3' DT C 23 -8.178 3.559 10.527 1.00 0.71 O ATOM 672 C2' DT C 23 -7.105 1.599 9.476 1.00 0.64 C ATOM 673 C1' DT C 23 -5.873 1.381 10.334 1.00 0.36 C ATOM 674 N1 DT C 23 -4.865 0.384 9.830 1.00 0.39 N ATOM 675 C2 DT C 23 -3.558 0.913 9.663 1.00 0.35 C ATOM 676 O2 DT C 23 -3.259 2.100 9.546 1.00 0.35 O ATOM 677 N3 DT C 23 -2.561 -0.031 9.644 1.00 0.33 N ATOM 678 C4 DT C 23 -2.662 -1.401 9.654 1.00 0.36 C ATOM 679 O4 DT C 23 -1.618 -2.061 9.672 1.00 0.35 O ATOM 680 C5 DT C 23 -4.034 -1.906 9.623 1.00 0.43 C ATOM 681 C7 DT C 23 -4.174 -3.396 9.420 1.00 0.54 C ATOM 682 C6 DT C 23 -5.062 -1.015 9.759 1.00 0.43 C ATOM 0 H5' DT C 23 -8.065 0.235 13.435 1.00 0.68 H new ATOM 0 H5'' DT C 23 -9.493 1.047 12.825 1.00 0.68 H new ATOM 0 H4' DT C 23 -7.688 2.400 12.528 1.00 0.49 H new ATOM 0 H3' DT C 23 -9.203 1.851 10.211 1.00 0.67 H new ATOM 0 H2' DT C 23 -7.429 0.672 9.002 1.00 0.64 H new ATOM 0 H2'' DT C 23 -6.912 2.315 8.677 1.00 0.64 H new ATOM 0 H1' DT C 23 -5.276 2.293 10.361 1.00 0.36 H new ATOM 0 H3 DT C 23 -1.610 0.337 9.619 1.00 0.33 H new ATOM 0 H71 DT C 23 -3.337 -3.763 8.826 1.00 0.54 H new ATOM 0 H72 DT C 23 -4.179 -3.896 10.388 1.00 0.54 H new ATOM 0 H73 DT C 23 -5.108 -3.606 8.899 1.00 0.54 H new ATOM 0 H6 DT C 23 -6.071 -1.397 9.815 1.00 0.43 H new ATOM 695 P DT C 24 -8.687 4.506 9.381 1.00 0.91 P ATOM 696 OP1 DT C 24 -9.142 5.733 9.977 1.00 1.10 O ATOM 697 OP2 DT C 24 -9.646 3.807 8.561 1.00 1.13 O ATOM 698 O5' DT C 24 -7.389 4.805 8.538 1.00 0.77 O ATOM 699 C5' DT C 24 -6.541 5.891 8.831 1.00 0.83 C ATOM 700 C4' DT C 24 -5.337 6.037 7.915 1.00 0.61 C ATOM 701 O4' DT C 24 -4.541 4.818 7.826 1.00 0.37 O ATOM 702 C3' DT C 24 -5.712 6.366 6.460 1.00 0.63 C ATOM 703 O3' DT C 24 -4.738 7.229 5.921 1.00 0.66 O ATOM 704 C2' DT C 24 -5.691 4.961 5.822 1.00 0.44 C ATOM 705 C1' DT C 24 -4.382 4.426 6.451 1.00 0.36 C ATOM 706 N1 DT C 24 -4.006 2.947 6.393 1.00 0.34 N ATOM 707 C2 DT C 24 -2.613 2.682 6.586 1.00 0.25 C ATOM 708 O2 DT C 24 -1.734 3.518 6.754 1.00 0.21 O ATOM 709 N3 DT C 24 -2.261 1.340 6.564 1.00 0.24 N ATOM 710 C4 DT C 24 -3.071 0.239 6.369 1.00 0.30 C ATOM 711 O4 DT C 24 -2.566 -0.892 6.407 1.00 0.28 O ATOM 712 C5 DT C 24 -4.477 0.553 6.144 1.00 0.41 C ATOM 713 C7 DT C 24 -5.395 -0.618 5.879 1.00 0.53 C ATOM 714 C6 DT C 24 -4.878 1.854 6.155 1.00 0.43 C ATOM 0 H5' DT C 24 -6.187 5.788 9.857 1.00 0.83 H new ATOM 0 H5'' DT C 24 -7.125 6.810 8.786 1.00 0.83 H new ATOM 0 H4' DT C 24 -4.780 6.853 8.375 1.00 0.61 H new ATOM 0 H3' DT C 24 -6.662 6.878 6.310 1.00 0.63 H new ATOM 0 H2' DT C 24 -6.562 4.364 6.092 1.00 0.44 H new ATOM 0 H2'' DT C 24 -5.652 4.994 4.733 1.00 0.44 H new ATOM 0 H1' DT C 24 -3.561 4.831 5.860 1.00 0.36 H new ATOM 0 H3 DT C 24 -1.272 1.140 6.712 1.00 0.24 H new ATOM 0 H71 DT C 24 -6.396 -0.386 6.243 1.00 0.53 H new ATOM 0 H72 DT C 24 -5.435 -0.813 4.807 1.00 0.53 H new ATOM 0 H73 DT C 24 -5.017 -1.501 6.395 1.00 0.53 H new ATOM 0 H6 DT C 24 -5.921 2.066 5.972 1.00 0.43 H new ATOM 727 P DG C 25 -4.740 7.945 4.527 1.00 0.68 P ATOM 728 OP1 DG C 25 -4.127 9.245 4.664 1.00 0.83 O ATOM 729 OP2 DG C 25 -6.068 7.929 3.988 1.00 0.84 O ATOM 730 O5' DG C 25 -3.858 7.039 3.646 1.00 0.60 O ATOM 731 C5' DG C 25 -2.963 7.477 2.808 1.00 1.13 C ATOM 732 C4' DG C 25 -1.483 7.424 3.089 1.00 0.80 C ATOM 733 O4' DG C 25 -1.191 6.215 3.794 1.00 0.48 O ATOM 734 C3' DG C 25 -0.658 7.357 1.852 1.00 0.91 C ATOM 735 O3' DG C 25 0.593 7.994 2.045 1.00 0.81 O ATOM 736 C2' DG C 25 -0.611 5.843 1.653 1.00 0.80 C ATOM 737 C1' DG C 25 -0.447 5.356 3.039 1.00 0.43 C ATOM 738 N9 DG C 25 -0.937 3.979 3.263 1.00 0.35 N ATOM 739 C8 DG C 25 -2.222 3.545 3.314 1.00 0.35 C ATOM 740 N7 DG C 25 -2.359 2.239 3.392 1.00 0.29 N ATOM 741 C5 DG C 25 -1.063 1.769 3.383 1.00 0.27 C ATOM 742 C6 DG C 25 -0.580 0.445 3.424 1.00 0.22 C ATOM 743 O6 DG C 25 -1.250 -0.590 3.474 1.00 0.18 O ATOM 744 N1 DG C 25 0.827 0.409 3.332 1.00 0.24 N ATOM 745 C2 DG C 25 1.664 1.510 3.228 1.00 0.30 C ATOM 746 N2 DG C 25 2.954 1.223 3.059 1.00 0.32 N ATOM 747 N3 DG C 25 1.187 2.750 3.254 1.00 0.32 N ATOM 748 C4 DG C 25 -0.160 2.828 3.309 1.00 0.31 C ATOM 0 H5' DG C 25 -3.205 8.522 2.615 1.00 1.13 H new ATOM 0 H5'' DG C 25 -3.121 6.936 1.875 1.00 1.13 H new ATOM 0 H4' DG C 25 -1.246 8.331 3.645 1.00 0.80 H new ATOM 0 H3' DG C 25 -1.036 7.879 0.973 1.00 0.91 H new ATOM 0 H2' DG C 25 -1.523 5.463 1.192 1.00 0.80 H new ATOM 0 H2'' DG C 25 0.218 5.541 1.014 1.00 0.80 H new ATOM 0 H1' DG C 25 0.614 5.326 3.289 1.00 0.43 H new ATOM 0 H8 DG C 25 -3.066 4.219 3.292 1.00 0.35 H new ATOM 0 H1 DG C 25 1.269 -0.510 3.343 1.00 0.24 H new ATOM 0 H21 DG C 25 3.637 1.976 2.973 1.00 0.32 H new ATOM 0 H22 DG C 25 3.259 0.251 3.015 1.00 0.32 H new ATOM 760 P DG C 26 1.776 8.004 1.041 1.00 0.98 P ATOM 761 OP1 DG C 26 2.678 9.091 1.417 1.00 1.05 O ATOM 762 OP2 DG C 26 1.281 7.997 -0.318 1.00 1.25 O ATOM 763 O5' DG C 26 2.477 6.610 1.292 1.00 0.85 O ATOM 764 C5' DG C 26 3.235 6.347 2.473 1.00 0.75 C ATOM 765 C4' DG C 26 4.431 5.417 2.247 1.00 0.83 C ATOM 766 O4' DG C 26 4.003 4.065 1.874 1.00 0.72 O ATOM 767 C3' DG C 26 5.373 5.865 1.146 1.00 1.07 C ATOM 768 O3' DG C 26 6.705 5.488 1.390 1.00 1.18 O ATOM 769 C2' DG C 26 4.883 5.032 -0.093 1.00 1.11 C ATOM 770 C1' DG C 26 4.275 3.755 0.512 1.00 0.87 C ATOM 771 N9 DG C 26 3.031 3.228 -0.106 1.00 0.79 N ATOM 772 C8 DG C 26 1.925 3.866 -0.544 1.00 0.87 C ATOM 773 N7 DG C 26 1.040 3.081 -1.092 1.00 0.89 N ATOM 774 C5 DG C 26 1.558 1.822 -0.973 1.00 0.77 C ATOM 775 C6 DG C 26 1.028 0.579 -1.363 1.00 0.74 C ATOM 776 O6 DG C 26 -0.008 0.376 -1.962 1.00 0.87 O ATOM 777 N1 DG C 26 1.864 -0.479 -1.009 1.00 0.61 N ATOM 778 C2 DG C 26 3.072 -0.358 -0.392 1.00 0.60 C ATOM 779 N2 DG C 26 3.662 -1.514 -0.148 1.00 0.60 N ATOM 780 N3 DG C 26 3.580 0.828 -0.082 1.00 0.67 N ATOM 781 C4 DG C 26 2.788 1.876 -0.368 1.00 0.72 C ATOM 0 H5' DG C 26 2.579 5.904 3.223 1.00 0.75 H new ATOM 0 H5'' DG C 26 3.594 7.292 2.881 1.00 0.75 H new ATOM 0 H4' DG C 26 4.950 5.439 3.205 1.00 0.83 H new ATOM 0 H3' DG C 26 5.358 6.949 1.036 1.00 1.07 H new ATOM 0 H2' DG C 26 4.146 5.585 -0.675 1.00 1.11 H new ATOM 0 H2'' DG C 26 5.709 4.798 -0.765 1.00 1.11 H new ATOM 0 HO3' DG C 26 7.273 5.797 0.653 1.00 1.18 H new ATOM 0 H1' DG C 26 5.001 2.960 0.342 1.00 0.87 H new ATOM 0 H8 DG C 26 1.786 4.933 -0.449 1.00 0.87 H new ATOM 0 H1 DG C 26 1.544 -1.422 -1.231 1.00 0.61 H new ATOM 0 H21 DG C 26 4.572 -1.535 0.312 1.00 0.60 H new ATOM 0 H22 DG C 26 3.207 -2.386 -0.419 1.00 0.60 H new TER 793 DG C 26 HETATM 794 P PGA A 7 -5.087 8.253 18.470 1.00 0.24 P HETATM 795 O1P PGA A 7 -6.505 8.888 18.123 1.00 0.25 O HETATM 796 O2P PGA A 7 -5.145 7.405 19.677 1.00 0.26 O HETATM 797 O3P PGA A 7 -4.078 9.335 18.477 1.00 0.24 O HETATM 798 C2 PGA A 7 -7.772 8.244 18.349 1.00 0.24 C HETATM 799 C1 PGA A 7 -8.957 9.171 18.675 1.00 0.26 C HETATM 800 O1 PGA A 7 -9.790 9.401 17.779 1.00 0.27 O HETATM 801 O2 PGA A 7 -9.085 9.596 19.828 1.00 0.31 O HETATM 0 H22 PGA A 7 -8.025 7.664 17.461 1.00 0.24 H new HETATM 0 H21 PGA A 7 -7.655 7.536 19.170 1.00 0.24 H new CONECT 164 794 CONECT 794 164 795 796 797 CONECT 795 794 798 CONECT 796 794 CONECT 797 794 CONECT 798 795 799 802 803 CONECT 799 798 800 801 CONECT 800 799 CONECT 801 799 CONECT 802 798 CONECT 803 798 END