USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 171 hydrogens (0 hets) HEADER DNA 03-SEP-98 1BUB TITLE DETERMINATION OF INTERNUCLEAR ANGLES OF DNA USING TITLE 2 PARAMAGNETIC ASSISTED MAGNETIC ALIGNMENT CAVEAT 1BUB THERE ARE CHIRALITY ERRORS CONTAINED IN RESIDUES 3, CAVEAT 2 1BUB 8 & 12. COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'- COMPND 3 D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'); COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: TELOMERE; COMPND 6 SYNONYM: D15MER; COMPND 7 ENGINEERED: YES; COMPND 8 OTHER_DETAILS: D15MER (APTAMER DNA) BOUND TO TWO EUROPIUM COMPND 9 IONS SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: TELOMERE DNA KEYWDS QUDRAPLEX DNA, DUPLEX, EU BINDING DNA, TELOMERE DNA EXPDTA SOLUTION NMR AUTHOR V.M.MARATHIAS,R.D.BEGER,P.H.BOLTON REVDAT 4 24-FEB-09 1BUB 1 VERSN REVDAT 3 01-APR-03 1BUB 1 JRNL REVDAT 2 22-DEC-99 1BUB 4 HEADER COMPND REMARK JRNL REVDAT 2 2 4 ATOM SOURCE SEQRES REVDAT 1 09-SEP-98 1BUB 0 JRNL AUTH R.D.BEGER,V.M.MARATHIAS,B.F.VOLKMAN,P.H.BOLTON JRNL TITL DETERMINATION OF INTERNUCLEAR ANGLES OF DNA USING JRNL TITL 2 PARAMAGNETIC-ASSISTED MAGNETIC ALIGNMENT. JRNL REF J.MAGN.RESON. V. 135 256 1998 JRNL REFN ISSN 0022-2364 JRNL PMID 9799703 JRNL DOI 10.1006/JMRE.1998.1527 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1BUB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-SEP-99. REMARK 100 THE RCSB ID CODE IS RCSB008173. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, ROESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR REMARK 210 METHOD USED : DISTANCE GEOMETRY REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND 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 DT A 3 C5 DT A 3 C7 0.036 REMARK 500 DT A 7 C5 DT A 7 C7 0.037 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 DG A 1 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DT A 3 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DT A 3 C6 - C5 - C7 ANGL. DEV. = -3.8 DEGREES REMARK 500 DT A 4 O4' - C1' - N1 ANGL. DEV. = 5.8 DEGREES REMARK 500 DT A 4 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DG A 5 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG A 6 O4' - C1' - N9 ANGL. DEV. = 5.0 DEGREES REMARK 500 DG A 5 C3' - O3' - P ANGL. DEV. = 7.2 DEGREES REMARK 500 DT A 7 O4' - C1' - N1 ANGL. DEV. = 6.1 DEGREES REMARK 500 DG A 8 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DT A 7 C3' - O3' - P ANGL. DEV. = 8.4 DEGREES REMARK 500 DT A 9 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES REMARK 500 DG A 10 O4' - C1' - N9 ANGL. DEV. = 5.2 DEGREES REMARK 500 DT A 9 C3' - O3' - P ANGL. DEV. = 8.0 DEGREES REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DT A 12 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 DT A 12 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT A 13 O4' - C1' - N1 ANGL. DEV. = 5.6 DEGREES REMARK 500 DG A 14 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 DG A 14 C3' - O3' - P ANGL. DEV. = 8.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL DBREF 1BUB A 1 15 PDB 1BUB 1BUB 1 15 SEQRES 1 A 15 DG DG DT DT DG DG DT DG DT DG DG DT DT SEQRES 2 A 15 DG DG HET EU A 16 1 HET EU A 17 1 HETNAM EU EUROPIUM ION FORMUL 2 EU 2(EU 2+) CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot -14:sc= 1.18 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= 0 (180deg=-0.237) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -1.77! (180deg=-1.77!) USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.0149 (180deg=-0.0149) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.726 (180deg=-1.03) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -5.766 4.766 -4.272 1.00 16.00 O ATOM 2 C5' DG A 1 -6.609 4.777 -5.430 1.00 12.00 C ATOM 3 C4' DG A 1 -5.918 4.482 -6.759 1.00 12.00 C ATOM 4 O4' DG A 1 -4.604 5.066 -6.801 1.00 16.00 O ATOM 5 C3' DG A 1 -5.740 2.987 -7.056 1.00 12.00 C ATOM 6 O3' DG A 1 -6.870 2.354 -7.677 1.00 16.00 O ATOM 7 C2' DG A 1 -4.543 3.017 -7.967 1.00 12.00 C ATOM 8 C1' DG A 1 -3.715 4.226 -7.570 1.00 12.00 C ATOM 9 N9 DG A 1 -2.565 3.753 -6.757 1.00 14.00 N ATOM 10 C8 DG A 1 -1.241 3.716 -7.103 1.00 12.00 C ATOM 11 N7 DG A 1 -0.461 3.221 -6.184 1.00 14.00 N ATOM 12 C5 DG A 1 -1.327 2.905 -5.145 1.00 12.00 C ATOM 13 C6 DG A 1 -1.067 2.241 -3.915 1.00 12.00 C ATOM 14 O6 DG A 1 0.014 1.886 -3.457 1.00 16.00 O ATOM 15 N1 DG A 1 -2.228 2.008 -3.204 1.00 14.00 N ATOM 16 C2 DG A 1 -3.493 2.364 -3.617 1.00 12.00 C ATOM 17 N2 DG A 1 -4.492 2.049 -2.801 1.00 14.00 N ATOM 18 N3 DG A 1 -3.743 2.988 -4.772 1.00 14.00 N ATOM 19 C4 DG A 1 -2.617 3.226 -5.483 1.00 12.00 C ATOM 0 H5' DG A 1 -7.086 5.755 -5.499 1.00 12.00 H new ATOM 0 H5'' DG A 1 -7.403 4.045 -5.285 1.00 12.00 H new ATOM 0 H4' DG A 1 -6.583 4.915 -7.506 1.00 12.00 H new ATOM 0 H3' DG A 1 -5.625 2.393 -6.149 1.00 12.00 H new ATOM 0 H2' DG A 1 -3.960 2.101 -7.869 1.00 12.00 H new ATOM 0 H2'' DG A 1 -4.853 3.087 -9.010 1.00 12.00 H new ATOM 0 HO5' DG A 1 -4.906 4.355 -4.498 1.00 16.00 H new ATOM 0 H1' DG A 1 -3.314 4.779 -8.419 1.00 12.00 H new ATOM 0 H8 DG A 1 -0.874 4.067 -8.056 1.00 12.00 H new ATOM 0 H1 DG A 1 -2.142 1.536 -2.304 1.00 14.00 H new ATOM 0 H21 DG A 1 -5.451 2.287 -3.053 1.00 14.00 H new ATOM 0 H22 DG A 1 -4.300 1.569 -1.922 1.00 14.00 H new ATOM 31 P DG A 2 -7.067 0.743 -7.646 1.00 31.00 P ATOM 32 OP1 DG A 2 -8.112 0.357 -8.624 1.00 16.00 O ATOM 33 OP2 DG A 2 -7.188 0.320 -6.235 1.00 16.00 O ATOM 34 O5' DG A 2 -5.651 0.193 -8.184 1.00 16.00 O ATOM 35 C5' DG A 2 -5.330 0.157 -9.580 1.00 12.00 C ATOM 36 C4' DG A 2 -3.837 -0.082 -9.814 1.00 12.00 C ATOM 37 O4' DG A 2 -3.041 0.570 -8.806 1.00 16.00 O ATOM 38 C3' DG A 2 -3.469 -1.565 -9.832 1.00 12.00 C ATOM 39 O3' DG A 2 -3.174 -2.018 -11.160 1.00 16.00 O ATOM 40 C2' DG A 2 -2.258 -1.677 -8.933 1.00 12.00 C ATOM 41 C1' DG A 2 -2.092 -0.338 -8.226 1.00 12.00 C ATOM 42 N9 DG A 2 -2.257 -0.488 -6.761 1.00 14.00 N ATOM 43 C8 DG A 2 -3.399 -0.424 -5.997 1.00 12.00 C ATOM 44 N7 DG A 2 -3.190 -0.613 -4.726 1.00 14.00 N ATOM 45 C5 DG A 2 -1.819 -0.817 -4.632 1.00 12.00 C ATOM 46 C6 DG A 2 -1.012 -1.079 -3.492 1.00 12.00 C ATOM 47 O6 DG A 2 -1.358 -1.180 -2.319 1.00 16.00 O ATOM 48 N1 DG A 2 0.320 -1.226 -3.833 1.00 14.00 N ATOM 49 C2 DG A 2 0.825 -1.133 -5.113 1.00 12.00 C ATOM 50 N2 DG A 2 2.138 -1.306 -5.228 1.00 14.00 N ATOM 51 N3 DG A 2 0.070 -0.888 -6.190 1.00 14.00 N ATOM 52 C4 DG A 2 -1.239 -0.742 -5.871 1.00 12.00 C ATOM 0 H5' DG A 2 -5.625 1.098 -10.045 1.00 12.00 H new ATOM 0 H5'' DG A 2 -5.905 -0.632 -10.065 1.00 12.00 H new ATOM 0 H4' DG A 2 -3.624 0.340 -10.796 1.00 12.00 H new ATOM 0 H3' DG A 2 -4.293 -2.190 -9.488 1.00 12.00 H new ATOM 0 H2' DG A 2 -2.391 -2.480 -8.208 1.00 12.00 H new ATOM 0 H2'' DG A 2 -1.368 -1.917 -9.515 1.00 12.00 H new ATOM 0 H1' DG A 2 -1.086 0.059 -8.364 1.00 12.00 H new ATOM 0 H8 DG A 2 -4.378 -0.235 -6.413 1.00 12.00 H new ATOM 0 H1 DG A 2 0.980 -1.418 -3.080 1.00 14.00 H new ATOM 0 H21 DG A 2 2.581 -1.251 -6.145 1.00 14.00 H new ATOM 0 H22 DG A 2 2.702 -1.494 -4.399 1.00 14.00 H new ATOM 64 P DT A 3 -4.224 -2.889 -12.028 1.00 31.00 P ATOM 65 OP1 DT A 3 -3.531 -3.379 -13.240 1.00 16.00 O ATOM 66 OP2 DT A 3 -5.472 -2.104 -12.163 1.00 16.00 O ATOM 67 O5' DT A 3 -4.540 -4.159 -11.083 1.00 16.00 O ATOM 68 C5' DT A 3 -3.513 -4.889 -10.395 1.00 12.00 C ATOM 69 C4' DT A 3 -4.076 -5.858 -9.348 1.00 12.00 C ATOM 70 O4' DT A 3 -4.155 -7.180 -9.913 1.00 16.00 O ATOM 71 C3' DT A 3 -5.474 -5.492 -8.828 1.00 12.00 C ATOM 72 O3' DT A 3 -5.446 -4.794 -7.574 1.00 16.00 O ATOM 73 C2' DT A 3 -6.176 -6.830 -8.733 1.00 12.00 C ATOM 74 C1' DT A 3 -5.457 -7.752 -9.707 1.00 12.00 C ATOM 75 N1 DT A 3 -6.213 -7.876 -10.986 1.00 14.00 N ATOM 76 C2 DT A 3 -6.773 -9.109 -11.305 1.00 12.00 C ATOM 77 O2 DT A 3 -6.673 -10.100 -10.583 1.00 16.00 O ATOM 78 N3 DT A 3 -7.466 -9.169 -12.502 1.00 14.00 N ATOM 79 C4 DT A 3 -7.648 -8.128 -13.396 1.00 14.00 C ATOM 80 O4 DT A 3 -8.287 -8.303 -14.431 1.00 16.00 O ATOM 81 C5 DT A 3 -7.032 -6.884 -12.985 1.00 12.00 C ATOM 82 C7 DT A 3 -7.144 -5.644 -13.878 1.00 12.00 C ATOM 83 C6 DT A 3 -6.353 -6.797 -11.825 1.00 12.00 C ATOM 0 H5' DT A 3 -2.838 -4.186 -9.907 1.00 12.00 H new ATOM 0 H5'' DT A 3 -2.922 -5.448 -11.121 1.00 12.00 H new ATOM 0 H4' DT A 3 -3.390 -5.803 -8.503 1.00 12.00 H new ATOM 0 H3' DT A 3 -5.987 -4.791 -9.487 1.00 12.00 H new ATOM 0 H2' DT A 3 -6.130 -7.223 -7.717 1.00 12.00 H new ATOM 0 H2'' DT A 3 -7.231 -6.736 -8.991 1.00 12.00 H new ATOM 0 H1' DT A 3 -5.376 -8.764 -9.310 1.00 12.00 H new ATOM 0 H3 DT A 3 -7.883 -10.067 -12.749 1.00 14.00 H new ATOM 0 H71 DT A 3 -7.129 -4.747 -13.259 1.00 12.00 H new ATOM 0 H72 DT A 3 -6.305 -5.619 -14.573 1.00 12.00 H new ATOM 0 H73 DT A 3 -8.078 -5.683 -14.439 1.00 12.00 H new ATOM 0 H6 DT A 3 -5.907 -5.854 -11.547 1.00 12.00 H new ATOM 96 P DT A 4 -5.980 -3.269 -7.435 1.00 31.00 P ATOM 97 OP1 DT A 4 -5.966 -2.651 -8.778 1.00 16.00 O ATOM 98 OP2 DT A 4 -5.247 -2.628 -6.322 1.00 16.00 O ATOM 99 O5' DT A 4 -7.525 -3.402 -6.982 1.00 16.00 O ATOM 100 C5' DT A 4 -8.089 -4.590 -6.409 1.00 12.00 C ATOM 101 C4' DT A 4 -7.955 -4.668 -4.880 1.00 12.00 C ATOM 102 O4' DT A 4 -6.821 -5.454 -4.471 1.00 16.00 O ATOM 103 C3' DT A 4 -7.830 -3.318 -4.181 1.00 12.00 C ATOM 104 O3' DT A 4 -9.115 -2.756 -3.905 1.00 16.00 O ATOM 105 C2' DT A 4 -7.063 -3.674 -2.923 1.00 12.00 C ATOM 106 C1' DT A 4 -6.315 -4.966 -3.212 1.00 12.00 C ATOM 107 N1 DT A 4 -4.847 -4.721 -3.201 1.00 14.00 N ATOM 108 C2 DT A 4 -4.227 -4.547 -1.965 1.00 12.00 C ATOM 109 O2 DT A 4 -4.833 -4.583 -0.895 1.00 16.00 O ATOM 110 N3 DT A 4 -2.865 -4.322 -2.000 1.00 14.00 N ATOM 111 C4 DT A 4 -2.075 -4.256 -3.134 1.00 12.00 C ATOM 112 O4 DT A 4 -0.868 -4.048 -3.036 1.00 16.00 O ATOM 113 C5 DT A 4 -2.800 -4.448 -4.370 1.00 12.00 C ATOM 114 C7 DT A 4 -2.052 -4.404 -5.704 1.00 12.00 C ATOM 115 C6 DT A 4 -4.128 -4.669 -4.368 1.00 12.00 C ATOM 0 H5' DT A 4 -7.604 -5.460 -6.851 1.00 12.00 H new ATOM 0 H5'' DT A 4 -9.145 -4.644 -6.675 1.00 12.00 H new ATOM 0 H4' DT A 4 -8.893 -5.135 -4.578 1.00 12.00 H new ATOM 0 H3' DT A 4 -7.330 -2.553 -4.775 1.00 12.00 H new ATOM 0 H2' DT A 4 -6.369 -2.877 -2.656 1.00 12.00 H new ATOM 0 H2'' DT A 4 -7.742 -3.801 -2.080 1.00 12.00 H new ATOM 0 H1' DT A 4 -6.477 -5.728 -2.450 1.00 12.00 H new ATOM 0 H3 DT A 4 -2.396 -4.192 -1.104 1.00 14.00 H new ATOM 0 H71 DT A 4 -1.194 -3.737 -5.618 1.00 12.00 H new ATOM 0 H72 DT A 4 -1.708 -5.406 -5.962 1.00 12.00 H new ATOM 0 H73 DT A 4 -2.720 -4.038 -6.484 1.00 12.00 H new ATOM 0 H6 DT A 4 -4.640 -4.809 -5.309 1.00 12.00 H new ATOM 128 P DG A 5 -9.289 -1.311 -3.216 1.00 31.00 P ATOM 129 OP1 DG A 5 -10.698 -0.891 -3.402 1.00 16.00 O ATOM 130 OP2 DG A 5 -8.187 -0.430 -3.671 1.00 16.00 O ATOM 131 O5' DG A 5 -9.055 -1.633 -1.655 1.00 16.00 O ATOM 132 C5' DG A 5 -10.128 -2.029 -0.789 1.00 12.00 C ATOM 133 C4' DG A 5 -10.142 -1.243 0.522 1.00 12.00 C ATOM 134 O4' DG A 5 -9.010 -1.602 1.333 1.00 16.00 O ATOM 135 C3' DG A 5 -10.105 0.279 0.309 1.00 12.00 C ATOM 136 O3' DG A 5 -11.076 0.985 1.110 1.00 16.00 O ATOM 137 C2' DG A 5 -8.686 0.655 0.684 1.00 12.00 C ATOM 138 C1' DG A 5 -8.216 -0.444 1.623 1.00 12.00 C ATOM 139 N9 DG A 5 -6.777 -0.759 1.582 1.00 14.00 N ATOM 140 C8 DG A 5 -5.964 -0.978 2.661 1.00 12.00 C ATOM 141 N7 DG A 5 -4.737 -1.255 2.351 1.00 14.00 N ATOM 142 C5 DG A 5 -4.721 -1.221 0.962 1.00 12.00 C ATOM 143 C6 DG A 5 -3.624 -1.342 0.073 1.00 12.00 C ATOM 144 O6 DG A 5 -2.457 -1.609 0.341 1.00 16.00 O ATOM 145 N1 DG A 5 -4.001 -1.122 -1.236 1.00 14.00 N ATOM 146 C2 DG A 5 -5.279 -0.820 -1.653 1.00 12.00 C ATOM 147 N2 DG A 5 -5.432 -0.647 -2.963 1.00 14.00 N ATOM 148 N3 DG A 5 -6.323 -0.701 -0.817 1.00 14.00 N ATOM 149 C4 DG A 5 -5.968 -0.916 0.475 1.00 12.00 C ATOM 0 H5' DG A 5 -10.040 -3.093 -0.570 1.00 12.00 H new ATOM 0 H5'' DG A 5 -11.078 -1.887 -1.304 1.00 12.00 H new ATOM 0 H4' DG A 5 -11.079 -1.501 1.016 1.00 12.00 H new ATOM 0 H3' DG A 5 -10.365 0.554 -0.713 1.00 12.00 H new ATOM 0 H2' DG A 5 -8.049 0.718 -0.198 1.00 12.00 H new ATOM 0 H2'' DG A 5 -8.653 1.630 1.171 1.00 12.00 H new ATOM 0 H1' DG A 5 -8.353 -0.085 2.643 1.00 12.00 H new ATOM 0 H8 DG A 5 -6.315 -0.925 3.681 1.00 12.00 H new ATOM 0 H1 DG A 5 -3.277 -1.188 -1.951 1.00 14.00 H new ATOM 0 H21 DG A 5 -6.351 -0.421 -3.344 1.00 14.00 H new ATOM 0 H22 DG A 5 -4.630 -0.740 -3.587 1.00 14.00 H new ATOM 161 P DG A 6 -11.286 0.869 2.719 1.00 31.00 P ATOM 162 OP1 DG A 6 -11.453 -0.561 3.069 1.00 16.00 O ATOM 163 OP2 DG A 6 -12.335 1.837 3.114 1.00 16.00 O ATOM 164 O5' DG A 6 -9.886 1.371 3.344 1.00 16.00 O ATOM 165 C5' DG A 6 -9.553 2.757 3.504 1.00 12.00 C ATOM 166 C4' DG A 6 -8.158 2.926 4.109 1.00 12.00 C ATOM 167 O4' DG A 6 -7.220 2.044 3.472 1.00 16.00 O ATOM 168 C3' DG A 6 -7.609 4.354 4.013 1.00 12.00 C ATOM 169 O3' DG A 6 -7.668 4.998 5.293 1.00 16.00 O ATOM 170 C2' DG A 6 -6.172 4.173 3.563 1.00 12.00 C ATOM 171 C1' DG A 6 -5.942 2.681 3.398 1.00 12.00 C ATOM 172 N9 DG A 6 -5.198 2.355 2.164 1.00 14.00 N ATOM 173 C8 DG A 6 -5.608 2.361 0.849 1.00 12.00 C ATOM 174 N7 DG A 6 -4.672 2.008 0.015 1.00 14.00 N ATOM 175 C5 DG A 6 -3.570 1.752 0.821 1.00 12.00 C ATOM 176 C6 DG A 6 -2.223 1.492 0.456 1.00 12.00 C ATOM 177 O6 DG A 6 -1.760 1.279 -0.658 1.00 16.00 O ATOM 178 N1 DG A 6 -1.387 1.495 1.556 1.00 14.00 N ATOM 179 C2 DG A 6 -1.786 1.718 2.852 1.00 12.00 C ATOM 180 N2 DG A 6 -0.822 1.690 3.763 1.00 14.00 N ATOM 181 N3 DG A 6 -3.050 1.961 3.207 1.00 14.00 N ATOM 182 C4 DG A 6 -3.885 1.962 2.136 1.00 12.00 C ATOM 0 H5' DG A 6 -10.291 3.239 4.145 1.00 12.00 H new ATOM 0 H5'' DG A 6 -9.596 3.258 2.537 1.00 12.00 H new ATOM 0 H4' DG A 6 -8.274 2.683 5.165 1.00 12.00 H new ATOM 0 H3' DG A 6 -8.180 4.981 3.328 1.00 12.00 H new ATOM 0 H2' DG A 6 -5.993 4.697 2.624 1.00 12.00 H new ATOM 0 H2'' DG A 6 -5.483 4.590 4.297 1.00 12.00 H new ATOM 0 H1' DG A 6 -5.301 2.307 4.196 1.00 12.00 H new ATOM 0 H8 DG A 6 -6.607 2.632 0.540 1.00 12.00 H new ATOM 0 H1 DG A 6 -0.396 1.318 1.393 1.00 14.00 H new ATOM 0 H21 DG A 6 -1.044 1.847 4.746 1.00 14.00 H new ATOM 0 H22 DG A 6 0.142 1.511 3.480 1.00 14.00 H new ATOM 194 P DT A 7 -7.259 6.545 5.557 1.00 31.00 P ATOM 195 OP1 DT A 7 -8.405 7.209 6.223 1.00 16.00 O ATOM 196 OP2 DT A 7 -6.713 7.115 4.306 1.00 16.00 O ATOM 197 O5' DT A 7 -6.052 6.462 6.632 1.00 16.00 O ATOM 198 C5' DT A 7 -5.645 5.261 7.306 1.00 12.00 C ATOM 199 C4' DT A 7 -4.134 5.242 7.554 1.00 12.00 C ATOM 200 O4' DT A 7 -3.725 3.980 8.110 1.00 16.00 O ATOM 201 C3' DT A 7 -3.340 5.472 6.264 1.00 12.00 C ATOM 202 O3' DT A 7 -2.507 6.639 6.358 1.00 16.00 O ATOM 203 C2' DT A 7 -2.582 4.180 6.031 1.00 12.00 C ATOM 204 C1' DT A 7 -2.654 3.406 7.339 1.00 12.00 C ATOM 205 N1 DT A 7 -2.779 1.944 7.111 1.00 14.00 N ATOM 206 C2 DT A 7 -1.642 1.255 6.699 1.00 12.00 C ATOM 207 O2 DT A 7 -0.550 1.796 6.524 1.00 16.00 O ATOM 208 N3 DT A 7 -1.799 -0.102 6.498 1.00 14.00 N ATOM 209 C4 DT A 7 -2.967 -0.825 6.669 1.00 12.00 C ATOM 210 O4 DT A 7 -2.981 -2.036 6.460 1.00 16.00 O ATOM 211 C5 DT A 7 -4.097 -0.029 7.099 1.00 12.00 C ATOM 212 C7 DT A 7 -5.454 -0.701 7.338 1.00 12.00 C ATOM 213 C6 DT A 7 -3.971 1.297 7.301 1.00 12.00 C ATOM 0 H5' DT A 7 -5.928 4.394 6.709 1.00 12.00 H new ATOM 0 H5'' DT A 7 -6.172 5.179 8.257 1.00 12.00 H new ATOM 0 H4' DT A 7 -3.925 6.052 8.253 1.00 12.00 H new ATOM 0 H3' DT A 7 -3.978 5.688 5.407 1.00 12.00 H new ATOM 0 H2' DT A 7 -3.026 3.609 5.216 1.00 12.00 H new ATOM 0 H2'' DT A 7 -1.547 4.380 5.753 1.00 12.00 H new ATOM 0 H1' DT A 7 -1.727 3.497 7.905 1.00 12.00 H new ATOM 0 H3 DT A 7 -0.975 -0.622 6.194 1.00 14.00 H new ATOM 0 H71 DT A 7 -5.998 -0.157 8.110 1.00 12.00 H new ATOM 0 H72 DT A 7 -6.032 -0.693 6.414 1.00 12.00 H new ATOM 0 H73 DT A 7 -5.298 -1.731 7.660 1.00 12.00 H new ATOM 0 H6 DT A 7 -4.832 1.864 7.621 1.00 12.00 H new ATOM 226 P DG A 8 -1.123 6.820 7.196 1.00 31.00 P ATOM 227 OP1 DG A 8 -0.513 5.494 7.451 1.00 16.00 O ATOM 228 OP2 DG A 8 -1.393 7.732 8.328 1.00 16.00 O ATOM 229 O5' DG A 8 -0.177 7.599 6.144 1.00 16.00 O ATOM 230 C5' DG A 8 -0.614 7.916 4.817 1.00 12.00 C ATOM 231 C4' DG A 8 -0.314 6.781 3.832 1.00 12.00 C ATOM 232 O4' DG A 8 -1.537 6.143 3.426 1.00 16.00 O ATOM 233 C3' DG A 8 0.423 7.235 2.566 1.00 12.00 C ATOM 234 O3' DG A 8 0.958 8.563 2.656 1.00 16.00 O ATOM 235 C2' DG A 8 -0.581 7.075 1.443 1.00 12.00 C ATOM 236 C1' DG A 8 -1.777 6.323 2.019 1.00 12.00 C ATOM 237 N9 DG A 8 -3.036 7.056 1.764 1.00 14.00 N ATOM 238 C8 DG A 8 -3.483 8.207 2.357 1.00 12.00 C ATOM 239 N7 DG A 8 -4.635 8.619 1.916 1.00 14.00 N ATOM 240 C5 DG A 8 -4.984 7.675 0.959 1.00 12.00 C ATOM 241 C6 DG A 8 -6.150 7.590 0.157 1.00 12.00 C ATOM 242 O6 DG A 8 -7.111 8.355 0.126 1.00 16.00 O ATOM 243 N1 DG A 8 -6.128 6.475 -0.660 1.00 14.00 N ATOM 244 C2 DG A 8 -5.111 5.548 -0.706 1.00 12.00 C ATOM 245 N2 DG A 8 -5.289 4.541 -1.556 1.00 14.00 N ATOM 246 N3 DG A 8 -4.006 5.620 0.049 1.00 14.00 N ATOM 247 C4 DG A 8 -4.012 6.711 0.856 1.00 12.00 C ATOM 0 H5' DG A 8 -0.122 8.829 4.481 1.00 12.00 H new ATOM 0 H5'' DG A 8 -1.685 8.116 4.825 1.00 12.00 H new ATOM 0 H4' DG A 8 0.340 6.095 4.370 1.00 12.00 H new ATOM 0 H3' DG A 8 1.313 6.629 2.396 1.00 12.00 H new ATOM 0 H2' DG A 8 -0.886 8.048 1.057 1.00 12.00 H new ATOM 0 H2'' DG A 8 -0.144 6.524 0.610 1.00 12.00 H new ATOM 0 H1' DG A 8 -1.889 5.352 1.537 1.00 12.00 H new ATOM 0 H8 DG A 8 -2.927 8.727 3.124 1.00 12.00 H new ATOM 0 H1 DG A 8 -6.927 6.328 -1.277 1.00 14.00 H new ATOM 0 H21 DG A 8 -4.577 3.816 -1.644 1.00 14.00 H new ATOM 0 H22 DG A 8 -6.138 4.494 -2.120 1.00 14.00 H new ATOM 259 P DT A 9 2.463 8.898 2.181 1.00 31.00 P ATOM 260 OP1 DT A 9 3.004 9.951 3.070 1.00 16.00 O ATOM 261 OP2 DT A 9 2.434 9.118 0.716 1.00 16.00 O ATOM 262 O5' DT A 9 3.269 7.524 2.467 1.00 16.00 O ATOM 263 C5' DT A 9 3.836 7.209 3.751 1.00 12.00 C ATOM 264 C4' DT A 9 5.147 6.408 3.663 1.00 12.00 C ATOM 265 O4' DT A 9 4.897 4.998 3.673 1.00 16.00 O ATOM 266 C3' DT A 9 5.935 6.677 2.388 1.00 12.00 C ATOM 267 O3' DT A 9 7.339 6.839 2.666 1.00 16.00 O ATOM 268 C2' DT A 9 5.572 5.506 1.482 1.00 12.00 C ATOM 269 C1' DT A 9 4.765 4.508 2.328 1.00 12.00 C ATOM 270 N1 DT A 9 3.340 4.322 1.895 1.00 14.00 N ATOM 271 C2 DT A 9 2.316 4.315 2.856 1.00 12.00 C ATOM 272 O2 DT A 9 2.492 4.441 4.067 1.00 16.00 O ATOM 273 N3 DT A 9 1.032 4.148 2.374 1.00 14.00 N ATOM 274 C4 DT A 9 0.669 3.989 1.055 1.00 14.00 C ATOM 275 O4 DT A 9 -0.513 3.869 0.744 1.00 16.00 O ATOM 276 C5 DT A 9 1.773 4.003 0.130 1.00 12.00 C ATOM 277 C7 DT A 9 1.468 3.814 -1.359 1.00 12.00 C ATOM 278 C6 DT A 9 3.042 4.164 0.560 1.00 12.00 C ATOM 0 H5' DT A 9 3.109 6.639 4.330 1.00 12.00 H new ATOM 0 H5'' DT A 9 4.021 8.135 4.295 1.00 12.00 H new ATOM 0 H4' DT A 9 5.719 6.731 4.532 1.00 12.00 H new ATOM 0 H3' DT A 9 5.687 7.617 1.895 1.00 12.00 H new ATOM 0 H2' DT A 9 4.987 5.848 0.628 1.00 12.00 H new ATOM 0 H2'' DT A 9 6.471 5.034 1.084 1.00 12.00 H new ATOM 0 H1' DT A 9 5.154 3.496 2.215 1.00 12.00 H new ATOM 0 H3 DT A 9 0.279 4.142 3.062 1.00 14.00 H new ATOM 0 H71 DT A 9 2.211 4.346 -1.953 1.00 12.00 H new ATOM 0 H72 DT A 9 1.499 2.753 -1.605 1.00 12.00 H new ATOM 0 H73 DT A 9 0.477 4.209 -1.580 1.00 12.00 H new ATOM 0 H6 DT A 9 3.845 4.169 -0.162 1.00 12.00 H new ATOM 291 P DG A 10 8.379 5.719 3.210 1.00 31.00 P ATOM 292 OP1 DG A 10 9.491 6.439 3.874 1.00 16.00 O ATOM 293 OP2 DG A 10 8.678 4.804 2.085 1.00 16.00 O ATOM 294 O5' DG A 10 7.590 4.882 4.348 1.00 16.00 O ATOM 295 C5' DG A 10 7.537 3.448 4.319 1.00 12.00 C ATOM 296 C4' DG A 10 7.025 2.842 5.631 1.00 12.00 C ATOM 297 O4' DG A 10 5.584 2.847 5.617 1.00 16.00 O ATOM 298 C3' DG A 10 7.458 1.377 5.799 1.00 12.00 C ATOM 299 O3' DG A 10 7.535 1.069 7.207 1.00 16.00 O ATOM 300 C2' DG A 10 6.309 0.661 5.117 1.00 12.00 C ATOM 301 C1' DG A 10 5.100 1.500 5.489 1.00 12.00 C ATOM 302 N9 DG A 10 3.950 1.371 4.572 1.00 14.00 N ATOM 303 C8 DG A 10 2.630 1.282 4.913 1.00 12.00 C ATOM 304 N7 DG A 10 1.828 1.169 3.898 1.00 14.00 N ATOM 305 C5 DG A 10 2.671 1.185 2.798 1.00 12.00 C ATOM 306 C6 DG A 10 2.369 1.060 1.419 1.00 12.00 C ATOM 307 O6 DG A 10 1.265 0.944 0.890 1.00 16.00 O ATOM 308 N1 DG A 10 3.513 1.085 0.644 1.00 14.00 N ATOM 309 C2 DG A 10 4.797 1.214 1.131 1.00 12.00 C ATOM 310 N2 DG A 10 5.773 1.220 0.228 1.00 14.00 N ATOM 311 N3 DG A 10 5.089 1.332 2.430 1.00 14.00 N ATOM 312 C4 DG A 10 3.978 1.309 3.201 1.00 12.00 C ATOM 0 H5' DG A 10 8.532 3.057 4.109 1.00 12.00 H new ATOM 0 H5'' DG A 10 6.890 3.130 3.501 1.00 12.00 H new ATOM 0 H4' DG A 10 7.438 3.438 6.444 1.00 12.00 H new ATOM 0 H3' DG A 10 8.432 1.113 5.388 1.00 12.00 H new ATOM 0 H2' DG A 10 6.449 0.615 4.037 1.00 12.00 H new ATOM 0 H2'' DG A 10 6.209 -0.366 5.470 1.00 12.00 H new ATOM 0 H1' DG A 10 4.673 1.142 6.426 1.00 12.00 H new ATOM 0 H8 DG A 10 2.284 1.304 5.936 1.00 12.00 H new ATOM 0 H1 DG A 10 3.399 1.002 -0.366 1.00 14.00 H new ATOM 0 H21 DG A 10 6.744 1.313 0.527 1.00 14.00 H new ATOM 0 H22 DG A 10 5.551 1.132 -0.764 1.00 14.00 H new ATOM 324 P DG A 11 7.370 -0.407 7.860 1.00 31.00 P ATOM 325 OP1 DG A 11 7.678 -0.313 9.303 1.00 16.00 O ATOM 326 OP2 DG A 11 8.108 -1.370 7.019 1.00 16.00 O ATOM 327 O5' DG A 11 5.795 -0.718 7.682 1.00 16.00 O ATOM 328 C5' DG A 11 4.810 -0.353 8.656 1.00 12.00 C ATOM 329 C4' DG A 11 3.511 -1.141 8.484 1.00 12.00 C ATOM 330 O4' DG A 11 2.790 -0.730 7.311 1.00 16.00 O ATOM 331 C3' DG A 11 3.733 -2.646 8.386 1.00 12.00 C ATOM 332 O3' DG A 11 3.541 -3.267 9.661 1.00 16.00 O ATOM 333 C2' DG A 11 2.701 -3.110 7.375 1.00 12.00 C ATOM 334 C1' DG A 11 2.112 -1.858 6.732 1.00 12.00 C ATOM 335 N9 DG A 11 2.228 -1.885 5.258 1.00 14.00 N ATOM 336 C8 DG A 11 3.362 -1.954 4.482 1.00 12.00 C ATOM 337 N7 DG A 11 3.122 -1.970 3.204 1.00 14.00 N ATOM 338 C5 DG A 11 1.736 -1.906 3.117 1.00 12.00 C ATOM 339 C6 DG A 11 0.901 -1.891 1.970 1.00 12.00 C ATOM 340 O6 DG A 11 1.228 -1.934 0.790 1.00 16.00 O ATOM 341 N1 DG A 11 -0.434 -1.823 2.307 1.00 14.00 N ATOM 342 C2 DG A 11 -0.926 -1.773 3.594 1.00 12.00 C ATOM 343 N2 DG A 11 -2.250 -1.713 3.692 1.00 14.00 N ATOM 344 N3 DG A 11 -0.144 -1.786 4.682 1.00 14.00 N ATOM 345 C4 DG A 11 1.177 -1.854 4.366 1.00 12.00 C ATOM 0 H5' DG A 11 4.600 0.714 8.576 1.00 12.00 H new ATOM 0 H5'' DG A 11 5.208 -0.525 9.656 1.00 12.00 H new ATOM 0 H4' DG A 11 2.934 -0.924 9.383 1.00 12.00 H new ATOM 0 H3' DG A 11 4.746 -2.907 8.081 1.00 12.00 H new ATOM 0 H2' DG A 11 3.160 -3.751 6.622 1.00 12.00 H new ATOM 0 H2'' DG A 11 1.922 -3.697 7.861 1.00 12.00 H new ATOM 0 H1' DG A 11 1.042 -1.796 6.929 1.00 12.00 H new ATOM 0 H8 DG A 11 4.359 -1.991 4.896 1.00 12.00 H new ATOM 0 H1 DG A 11 -1.111 -1.809 1.544 1.00 14.00 H new ATOM 0 H21 DG A 11 -2.692 -1.673 4.610 1.00 14.00 H new ATOM 0 H22 DG A 11 -2.824 -1.707 2.849 1.00 14.00 H new ATOM 357 P DT A 12 4.083 -4.752 9.982 1.00 31.00 P ATOM 358 OP1 DT A 12 3.126 -5.724 9.404 1.00 16.00 O ATOM 359 OP2 DT A 12 4.423 -4.820 11.420 1.00 16.00 O ATOM 360 O5' DT A 12 5.460 -4.814 9.145 1.00 16.00 O ATOM 361 C5' DT A 12 5.791 -5.922 8.303 1.00 12.00 C ATOM 362 C4' DT A 12 7.246 -5.870 7.839 1.00 12.00 C ATOM 363 O4' DT A 12 8.158 -5.895 8.951 1.00 16.00 O ATOM 364 C3' DT A 12 7.555 -4.627 7.008 1.00 12.00 C ATOM 365 O3' DT A 12 7.497 -4.907 5.605 1.00 16.00 O ATOM 366 C2' DT A 12 8.951 -4.247 7.449 1.00 12.00 C ATOM 367 C1' DT A 12 9.163 -4.872 8.818 1.00 12.00 C ATOM 368 N1 DT A 12 9.064 -3.835 9.883 1.00 14.00 N ATOM 369 C2 DT A 12 10.219 -3.159 10.261 1.00 12.00 C ATOM 370 O2 DT A 12 11.321 -3.380 9.761 1.00 16.00 O ATOM 371 N3 DT A 12 10.064 -2.204 11.251 1.00 14.00 N ATOM 372 C4 DT A 12 8.881 -1.867 11.887 1.00 12.00 C ATOM 373 O4 DT A 12 8.866 -0.996 12.753 1.00 16.00 O ATOM 374 C5 DT A 12 7.733 -2.622 11.430 1.00 12.00 C ATOM 375 C7 DT A 12 6.355 -2.364 12.044 1.00 12.00 C ATOM 376 C6 DT A 12 7.860 -3.555 10.469 1.00 12.00 C ATOM 0 H5' DT A 12 5.133 -5.927 7.434 1.00 12.00 H new ATOM 0 H5'' DT A 12 5.615 -6.853 8.842 1.00 12.00 H new ATOM 0 H4' DT A 12 7.381 -6.757 7.220 1.00 12.00 H new ATOM 0 H3' DT A 12 6.834 -3.823 7.161 1.00 12.00 H new ATOM 0 H2' DT A 12 9.693 -4.611 6.739 1.00 12.00 H new ATOM 0 H2'' DT A 12 9.060 -3.164 7.497 1.00 12.00 H new ATOM 0 H1' DT A 12 10.156 -5.308 8.921 1.00 12.00 H new ATOM 0 H3 DT A 12 10.902 -1.700 11.540 1.00 14.00 H new ATOM 0 H71 DT A 12 5.582 -2.568 11.303 1.00 12.00 H new ATOM 0 H72 DT A 12 6.212 -3.017 12.905 1.00 12.00 H new ATOM 0 H73 DT A 12 6.287 -1.324 12.362 1.00 12.00 H new ATOM 0 H6 DT A 12 6.984 -4.100 10.150 1.00 12.00 H new ATOM 389 P DT A 13 6.262 -4.404 4.696 1.00 31.00 P ATOM 390 OP1 DT A 13 6.354 -2.933 4.563 1.00 16.00 O ATOM 391 OP2 DT A 13 5.019 -5.017 5.221 1.00 16.00 O ATOM 392 O5' DT A 13 6.587 -5.058 3.260 1.00 16.00 O ATOM 393 C5' DT A 13 6.205 -6.393 2.886 1.00 12.00 C ATOM 394 C4' DT A 13 5.898 -6.546 1.386 1.00 12.00 C ATOM 395 O4' DT A 13 4.543 -6.957 1.144 1.00 16.00 O ATOM 396 C3' DT A 13 6.128 -5.282 0.563 1.00 12.00 C ATOM 397 O3' DT A 13 7.438 -5.267 -0.004 1.00 16.00 O ATOM 398 C2' DT A 13 5.063 -5.318 -0.504 1.00 12.00 C ATOM 399 C1' DT A 13 4.036 -6.354 -0.066 1.00 12.00 C ATOM 400 N1 DT A 13 2.674 -5.761 0.078 1.00 14.00 N ATOM 401 C2 DT A 13 2.049 -5.255 -1.063 1.00 12.00 C ATOM 402 O2 DT A 13 2.564 -5.263 -2.181 1.00 16.00 O ATOM 403 N3 DT A 13 0.786 -4.725 -0.876 1.00 14.00 N ATOM 404 C4 DT A 13 0.096 -4.651 0.319 1.00 12.00 C ATOM 405 O4 DT A 13 -1.027 -4.152 0.356 1.00 16.00 O ATOM 406 C5 DT A 13 0.815 -5.197 1.448 1.00 12.00 C ATOM 407 C7 DT A 13 0.163 -5.183 2.834 1.00 12.00 C ATOM 408 C6 DT A 13 2.050 -5.720 1.299 1.00 12.00 C ATOM 0 H5' DT A 13 5.326 -6.685 3.460 1.00 12.00 H new ATOM 0 H5'' DT A 13 7.006 -7.081 3.157 1.00 12.00 H new ATOM 0 H4' DT A 13 6.605 -7.312 1.068 1.00 12.00 H new ATOM 0 H3' DT A 13 6.063 -4.379 1.170 1.00 12.00 H new ATOM 0 H2' DT A 13 4.599 -4.339 -0.620 1.00 12.00 H new ATOM 0 H2'' DT A 13 5.492 -5.584 -1.470 1.00 12.00 H new ATOM 0 H1' DT A 13 3.904 -7.127 -0.823 1.00 12.00 H new ATOM 0 H3 DT A 13 0.317 -4.352 -1.701 1.00 14.00 H new ATOM 0 H71 DT A 13 -0.508 -4.328 2.912 1.00 12.00 H new ATOM 0 H72 DT A 13 -0.403 -6.103 2.979 1.00 12.00 H new ATOM 0 H73 DT A 13 0.936 -5.108 3.599 1.00 12.00 H new ATOM 0 H6 DT A 13 2.561 -6.117 2.164 1.00 12.00 H new ATOM 421 P DG A 14 8.663 -4.657 0.841 1.00 31.00 P ATOM 422 OP1 DG A 14 9.041 -5.649 1.876 1.00 16.00 O ATOM 423 OP2 DG A 14 8.277 -3.286 1.237 1.00 16.00 O ATOM 424 O5' DG A 14 9.883 -4.559 -0.209 1.00 16.00 O ATOM 425 C5' DG A 14 9.734 -4.858 -1.604 1.00 12.00 C ATOM 426 C4' DG A 14 9.791 -3.613 -2.506 1.00 12.00 C ATOM 427 O4' DG A 14 8.550 -3.475 -3.221 1.00 16.00 O ATOM 428 C3' DG A 14 10.052 -2.283 -1.765 1.00 12.00 C ATOM 429 O3' DG A 14 11.149 -1.506 -2.279 1.00 16.00 O ATOM 430 C2' DG A 14 8.760 -1.518 -1.907 1.00 12.00 C ATOM 431 C1' DG A 14 8.053 -2.134 -3.099 1.00 12.00 C ATOM 432 N9 DG A 14 6.578 -2.079 -3.062 1.00 14.00 N ATOM 433 C8 DG A 14 5.733 -2.031 -4.137 1.00 12.00 C ATOM 434 N7 DG A 14 4.475 -1.985 -3.823 1.00 14.00 N ATOM 435 C5 DG A 14 4.473 -2.005 -2.434 1.00 12.00 C ATOM 436 C6 DG A 14 3.391 -1.878 -1.535 1.00 12.00 C ATOM 437 O6 DG A 14 2.192 -1.813 -1.796 1.00 16.00 O ATOM 438 N1 DG A 14 3.824 -1.829 -0.220 1.00 14.00 N ATOM 439 C2 DG A 14 5.139 -1.894 0.184 1.00 12.00 C ATOM 440 N2 DG A 14 5.361 -1.835 1.494 1.00 14.00 N ATOM 441 N3 DG A 14 6.166 -2.012 -0.664 1.00 14.00 N ATOM 442 C4 DG A 14 5.758 -2.062 -1.955 1.00 12.00 C ATOM 0 H5' DG A 14 8.782 -5.367 -1.759 1.00 12.00 H new ATOM 0 H5'' DG A 14 10.519 -5.552 -1.905 1.00 12.00 H new ATOM 0 H4' DG A 14 10.640 -3.785 -3.167 1.00 12.00 H new ATOM 0 H3' DG A 14 10.343 -2.489 -0.735 1.00 12.00 H new ATOM 0 H2' DG A 14 8.154 -1.601 -1.005 1.00 12.00 H new ATOM 0 H2'' DG A 14 8.948 -0.456 -2.068 1.00 12.00 H new ATOM 0 H1' DG A 14 8.280 -1.537 -3.982 1.00 12.00 H new ATOM 0 H8 DG A 14 6.083 -2.031 -5.159 1.00 12.00 H new ATOM 0 H1 DG A 14 3.113 -1.738 0.506 1.00 14.00 H new ATOM 0 H21 DG A 14 6.315 -1.879 1.852 1.00 14.00 H new ATOM 0 H22 DG A 14 4.577 -1.746 2.141 1.00 14.00 H new ATOM 454 P DG A 15 11.556 -1.269 -3.830 1.00 31.00 P ATOM 455 OP1 DG A 15 11.860 -2.586 -4.435 1.00 16.00 O ATOM 456 OP2 DG A 15 12.582 -0.201 -3.864 1.00 16.00 O ATOM 457 O5' DG A 15 10.226 -0.681 -4.543 1.00 16.00 O ATOM 458 C5' DG A 15 9.997 -0.891 -5.947 1.00 12.00 C ATOM 459 C4' DG A 15 9.299 0.284 -6.638 1.00 12.00 C ATOM 460 O4' DG A 15 7.879 0.239 -6.391 1.00 16.00 O ATOM 461 C3' DG A 15 9.817 1.671 -6.254 1.00 12.00 C ATOM 462 O3' DG A 15 10.479 2.247 -7.385 1.00 16.00 O ATOM 463 C2' DG A 15 8.581 2.450 -5.821 1.00 12.00 C ATOM 464 C1' DG A 15 7.382 1.519 -6.002 1.00 12.00 C ATOM 465 N9 DG A 15 6.537 1.387 -4.796 1.00 14.00 N ATOM 466 C8 DG A 15 6.913 1.219 -3.483 1.00 12.00 C ATOM 467 N7 DG A 15 5.911 1.136 -2.656 1.00 14.00 N ATOM 468 C5 DG A 15 4.786 1.258 -3.466 1.00 12.00 C ATOM 469 C6 DG A 15 3.414 1.333 -3.115 1.00 12.00 C ATOM 470 O6 DG A 15 2.905 1.210 -2.007 1.00 16.00 O ATOM 471 N1 DG A 15 2.617 1.566 -4.220 1.00 14.00 N ATOM 472 C2 DG A 15 3.076 1.708 -5.512 1.00 12.00 C ATOM 473 N2 DG A 15 2.150 1.921 -6.438 1.00 14.00 N ATOM 474 N3 DG A 15 4.367 1.638 -5.851 1.00 14.00 N ATOM 475 C4 DG A 15 5.159 1.411 -4.777 1.00 12.00 C ATOM 0 H5' DG A 15 9.393 -1.789 -6.078 1.00 12.00 H new ATOM 0 H5'' DG A 15 10.952 -1.075 -6.439 1.00 12.00 H new ATOM 0 H4' DG A 15 9.529 0.153 -7.695 1.00 12.00 H new ATOM 0 H3' DG A 15 10.550 1.664 -5.447 1.00 12.00 H new ATOM 0 H2' DG A 15 8.669 2.768 -4.782 1.00 12.00 H new ATOM 0 H2'' DG A 15 8.463 3.352 -6.421 1.00 12.00 H new ATOM 0 HO3' DG A 15 10.813 3.138 -7.150 1.00 16.00 H new ATOM 0 H1' DG A 15 6.735 1.954 -6.764 1.00 12.00 H new ATOM 0 H8 DG A 15 7.944 1.161 -3.168 1.00 12.00 H new ATOM 0 H1 DG A 15 1.611 1.638 -4.068 1.00 14.00 H new ATOM 0 H21 DG A 15 2.422 2.035 -7.414 1.00 14.00 H new ATOM 0 H22 DG A 15 1.166 1.971 -6.173 1.00 14.00 H new TER 487 DG A 15 HETATM 488 EU EU A 16 12.205 -2.422 3.811 1.00 0.00 EU HETATM 489 EU EU A 17 -12.145 2.676 -6.376 1.00 0.00 EU END