USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 277 hydrogens (26 hets) HEADER DNA 01-FEB-00 1EEK TITLE SOLUTION STRUCTURE OF A NONPOLAR, NON HYDROGEN BONDED BASE TITLE 2 PAIR SURROGATE IN DNA. COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*GP*CP*AP*TP*(DFT)P*GP*TP*TP*AP*CP*C)-3'; COMPND 3 CHAIN: 1; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 5'-D(*GP*GP*TP*AP*AP*CP*(MBZ)P*AP*TP*GP*CP*G)-3'; COMPND 7 CHAIN: 2; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES KEYWDS DNA, NONPOLAR, ISOSTERIC, DNA BASE ANALOGS EXPDTA SOLUTION NMR AUTHOR E.T.KOOL,T.R.KRUGH,K.M.GUCKIAN REVDAT 4 24-FEB-09 1EEK 1 VERSN REVDAT 3 14-DEC-04 1EEK 1 JRNL REMARK REVDAT 2 20-MAY-02 1EEK 3 ATOM REMARK REVDAT 1 16-FEB-00 1EEK 0 JRNL AUTH K.M.GUCKIAN,T.R.KRUGH,E.T.KOOL JRNL TITL SOLUTION STRUCTURE OF A NONPOLAR, JRNL TITL 2 NON-HYDROGEN-BONDED BASE PAIR SURROGATE IN DNA JRNL REF J.AM.CHEM.SOC. V. 122 6841 2000 JRNL REFN ISSN 0002-7863 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1EEK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-FEB-00. REMARK 100 THE RCSB ID CODE IS RCSB010497. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 15 REMARK 210 PH : 7.4 REMARK 210 IONIC STRENGTH : 100 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 3 MM DNA, PHOSPHATE BUFFER, REMARK 210 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL 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 : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DC 1 1 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DT 1 8 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES REMARK 500 DA 1 10 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC 1 12 O4' - C1' - N1 ANGL. DEV. = 5.5 DEGREES REMARK 500 DG 2 1 O5' - C5' - C4' ANGL. DEV. = 19.6 DEGREES REMARK 500 DG 2 1 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DA 2 4 O4' - C1' - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DC 2 6 O4' - C1' - N1 ANGL. DEV. = 3.2 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 1 4 0.12 SIDE_CHAIN REMARK 500 DT 1 5 0.10 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1BW7 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF AN F - A PAIR DBREF 1EEK 1 1 12 PDB 1EEK 1EEK 1 12 DBREF 1EEK 2 1 12 PDB 1EEK 1EEK 1 12 SEQRES 1 1 12 DC DG DC DA DT DFT DG DT DT DA DC DC SEQRES 1 2 12 DG DG DT DA DA DC MBZ DA DT DG DC DG HET DFT 1 6 32 HET MBZ 2 7 35 HETNAM DFT 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL- HETNAM 2 DFT BENZENE-5'MONOPHOSPHATE HETNAM MBZ 1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-BENZOIMIDAZOLE-5'- HETNAM 2 MBZ MONOPHOSPHATE FORMUL 1 DFT C12 H15 F2 O6 P FORMUL 2 MBZ C13 H17 N2 O6 P LINK O3' DT 1 5 P DFT 1 6 1555 1555 1.61 LINK O3' DFT 1 6 P DG 1 7 1555 1555 1.62 LINK O3' DC 2 6 P MBZ 2 7 1555 1555 1.60 LINK O3' MBZ 2 7 P DA 2 8 1555 1555 1.61 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : 1 1 DC O5' : rot -16:sc= 0.0561 USER MOD Single : 1 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : 1 8 DT C7 :methyl 150:sc= -0.145 (180deg=-0.145) USER MOD Single : 1 9 DT C7 :methyl 150:sc= -0.132 (180deg=-0.132) USER MOD Single : 1 12 DC O3' : rot 180:sc= 0 USER MOD Single : 2 1 DG O5' : rot 180:sc= 0 USER MOD Single : 2 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : 2 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : 2 12 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC 1 1 3.803 -9.593 0.919 1.00 0.00 O ATOM 2 C5' DC 1 1 4.838 -9.432 1.865 1.00 0.00 C ATOM 3 C4' DC 1 1 5.379 -7.990 1.944 1.00 0.00 C ATOM 4 O4' DC 1 1 4.370 -7.001 1.789 1.00 0.00 O ATOM 5 C3' DC 1 1 5.992 -7.763 3.339 1.00 0.00 C ATOM 6 O3' DC 1 1 7.287 -7.202 3.227 1.00 0.00 O ATOM 7 C2' DC 1 1 4.991 -6.818 3.997 1.00 0.00 C ATOM 8 C1' DC 1 1 4.582 -6.010 2.773 1.00 0.00 C ATOM 9 N1 DC 1 1 3.362 -5.178 2.951 1.00 0.00 N ATOM 10 C2 DC 1 1 3.300 -3.941 2.291 1.00 0.00 C ATOM 11 O2 DC 1 1 4.259 -3.503 1.658 1.00 0.00 O ATOM 12 N3 DC 1 1 2.136 -3.229 2.363 1.00 0.00 N ATOM 13 C4 DC 1 1 1.068 -3.680 3.045 1.00 0.00 C ATOM 14 N4 DC 1 1 -0.038 -2.929 3.058 1.00 0.00 N ATOM 15 C5 DC 1 1 1.106 -4.950 3.728 1.00 0.00 C ATOM 16 C6 DC 1 1 2.265 -5.656 3.645 1.00 0.00 C ATOM 0 H5' DC 1 1 5.657 -10.106 1.614 1.00 0.00 H new ATOM 0 H5'' DC 1 1 4.471 -9.728 2.848 1.00 0.00 H new ATOM 0 H4' DC 1 1 6.100 -7.890 1.133 1.00 0.00 H new ATOM 0 H3' DC 1 1 6.138 -8.674 3.920 1.00 0.00 H new ATOM 0 H2' DC 1 1 4.152 -7.345 4.453 1.00 0.00 H new ATOM 0 H2'' DC 1 1 5.442 -6.203 4.775 1.00 0.00 H new ATOM 0 HO5' DC 1 1 3.452 -8.714 0.666 1.00 0.00 H new ATOM 0 H1' DC 1 1 5.348 -5.275 2.525 1.00 0.00 H new ATOM 0 H41 DC 1 1 -0.863 -3.246 3.567 1.00 0.00 H new ATOM 0 H42 DC 1 1 -0.056 -2.040 2.559 1.00 0.00 H new ATOM 0 H5 DC 1 1 0.255 -5.322 4.279 1.00 0.00 H new ATOM 0 H6 DC 1 1 2.331 -6.616 4.134 1.00 0.00 H new ATOM 29 P DG 1 2 8.215 -6.931 4.521 1.00 0.00 P ATOM 30 OP1 DG 1 2 9.592 -7.357 4.190 1.00 0.00 O ATOM 31 OP2 DG 1 2 7.542 -7.482 5.720 1.00 0.00 O ATOM 32 O5' DG 1 2 8.178 -5.321 4.616 1.00 0.00 O ATOM 33 C5' DG 1 2 8.891 -4.519 3.690 1.00 0.00 C ATOM 34 C4' DG 1 2 8.741 -3.028 4.004 1.00 0.00 C ATOM 35 O4' DG 1 2 7.397 -2.637 3.794 1.00 0.00 O ATOM 36 C3' DG 1 2 9.108 -2.681 5.461 1.00 0.00 C ATOM 37 O3' DG 1 2 9.838 -1.461 5.466 1.00 0.00 O ATOM 38 C2' DG 1 2 7.730 -2.539 6.104 1.00 0.00 C ATOM 39 C1' DG 1 2 6.977 -1.925 4.934 1.00 0.00 C ATOM 40 N9 DG 1 2 5.519 -2.050 5.081 1.00 0.00 N ATOM 41 C8 DG 1 2 4.757 -3.163 5.328 1.00 0.00 C ATOM 42 N7 DG 1 2 3.474 -2.942 5.329 1.00 0.00 N ATOM 43 C5 DG 1 2 3.378 -1.583 5.062 1.00 0.00 C ATOM 44 C6 DG 1 2 2.230 -0.740 4.964 1.00 0.00 C ATOM 45 O6 DG 1 2 1.058 -1.081 5.045 1.00 0.00 O ATOM 46 N1 DG 1 2 2.558 0.612 4.778 1.00 0.00 N ATOM 47 C2 DG 1 2 3.862 1.094 4.707 1.00 0.00 C ATOM 48 N2 DG 1 2 4.049 2.415 4.635 1.00 0.00 N ATOM 49 N3 DG 1 2 4.938 0.292 4.773 1.00 0.00 N ATOM 50 C4 DG 1 2 4.630 -1.024 4.951 1.00 0.00 C ATOM 0 H5' DG 1 2 8.529 -4.717 2.681 1.00 0.00 H new ATOM 0 H5'' DG 1 2 9.946 -4.791 3.709 1.00 0.00 H new ATOM 0 H4' DG 1 2 9.427 -2.499 3.342 1.00 0.00 H new ATOM 0 H3' DG 1 2 9.734 -3.406 5.981 1.00 0.00 H new ATOM 0 H2' DG 1 2 7.312 -3.496 6.417 1.00 0.00 H new ATOM 0 H2'' DG 1 2 7.741 -1.893 6.982 1.00 0.00 H new ATOM 0 H1' DG 1 2 7.189 -0.858 4.870 1.00 0.00 H new ATOM 0 H8 DG 1 2 5.184 -4.139 5.506 1.00 0.00 H new ATOM 0 H1 DG 1 2 1.794 1.282 4.689 1.00 0.00 H new ATOM 0 H21 DG 1 2 4.994 2.794 4.582 1.00 0.00 H new ATOM 0 H22 DG 1 2 3.246 3.044 4.633 1.00 0.00 H new ATOM 62 P DC 1 3 10.327 -0.727 6.823 1.00 0.00 P ATOM 63 OP1 DC 1 3 11.633 -0.088 6.547 1.00 0.00 O ATOM 64 OP2 DC 1 3 10.199 -1.675 7.953 1.00 0.00 O ATOM 65 O5' DC 1 3 9.221 0.440 7.011 1.00 0.00 O ATOM 66 C5' DC 1 3 9.163 1.552 6.130 1.00 0.00 C ATOM 67 C4' DC 1 3 8.120 2.583 6.577 1.00 0.00 C ATOM 68 O4' DC 1 3 6.830 2.005 6.514 1.00 0.00 O ATOM 69 C3' DC 1 3 8.341 3.078 8.020 1.00 0.00 C ATOM 70 O3' DC 1 3 8.091 4.477 8.072 1.00 0.00 O ATOM 71 C2' DC 1 3 7.297 2.274 8.791 1.00 0.00 C ATOM 72 C1' DC 1 3 6.185 2.246 7.745 1.00 0.00 C ATOM 73 N1 DC 1 3 5.161 1.196 7.987 1.00 0.00 N ATOM 74 C2 DC 1 3 3.810 1.551 7.880 1.00 0.00 C ATOM 75 O2 DC 1 3 3.473 2.712 7.673 1.00 0.00 O ATOM 76 N3 DC 1 3 2.873 0.564 7.986 1.00 0.00 N ATOM 77 C4 DC 1 3 3.217 -0.720 8.182 1.00 0.00 C ATOM 78 N4 DC 1 3 2.251 -1.640 8.130 1.00 0.00 N ATOM 79 C5 DC 1 3 4.599 -1.113 8.283 1.00 0.00 C ATOM 80 C6 DC 1 3 5.525 -0.126 8.171 1.00 0.00 C ATOM 0 H5' DC 1 3 8.924 1.206 5.124 1.00 0.00 H new ATOM 0 H5'' DC 1 3 10.143 2.026 6.079 1.00 0.00 H new ATOM 0 H4' DC 1 3 8.219 3.435 5.904 1.00 0.00 H new ATOM 0 H3' DC 1 3 9.347 2.942 8.416 1.00 0.00 H new ATOM 0 H2' DC 1 3 7.648 1.277 9.057 1.00 0.00 H new ATOM 0 H2'' DC 1 3 6.991 2.762 9.716 1.00 0.00 H new ATOM 0 H1' DC 1 3 5.640 3.189 7.772 1.00 0.00 H new ATOM 0 H41 DC 1 3 2.476 -2.624 8.274 1.00 0.00 H new ATOM 0 H42 DC 1 3 1.288 -1.358 7.946 1.00 0.00 H new ATOM 0 H5 DC 1 3 4.885 -2.143 8.440 1.00 0.00 H new ATOM 0 H6 DC 1 3 6.573 -0.380 8.227 1.00 0.00 H new ATOM 92 P DA 1 4 8.126 5.333 9.445 1.00 0.00 P ATOM 93 OP1 DA 1 4 8.643 6.682 9.125 1.00 0.00 O ATOM 94 OP2 DA 1 4 8.788 4.526 10.495 1.00 0.00 O ATOM 95 O5' DA 1 4 6.556 5.465 9.821 1.00 0.00 O ATOM 96 C5' DA 1 4 5.687 6.296 9.067 1.00 0.00 C ATOM 97 C4' DA 1 4 4.291 6.380 9.690 1.00 0.00 C ATOM 98 O4' DA 1 4 3.628 5.135 9.599 1.00 0.00 O ATOM 99 C3' DA 1 4 4.304 6.794 11.176 1.00 0.00 C ATOM 100 O3' DA 1 4 3.508 7.960 11.321 1.00 0.00 O ATOM 101 C2' DA 1 4 3.725 5.562 11.874 1.00 0.00 C ATOM 102 C1' DA 1 4 2.859 4.977 10.770 1.00 0.00 C ATOM 103 N9 DA 1 4 2.595 3.543 10.970 1.00 0.00 N ATOM 104 C8 DA 1 4 3.496 2.511 11.025 1.00 0.00 C ATOM 105 N7 DA 1 4 2.964 1.326 10.968 1.00 0.00 N ATOM 106 C5 DA 1 4 1.604 1.592 10.903 1.00 0.00 C ATOM 107 C6 DA 1 4 0.461 0.769 10.779 1.00 0.00 C ATOM 108 N6 DA 1 4 0.534 -0.545 10.548 1.00 0.00 N ATOM 109 N1 DA 1 4 -0.761 1.346 10.853 1.00 0.00 N ATOM 110 C2 DA 1 4 -0.858 2.673 10.977 1.00 0.00 C ATOM 111 N3 DA 1 4 0.140 3.561 11.026 1.00 0.00 N ATOM 112 C4 DA 1 4 1.364 2.946 10.984 1.00 0.00 C ATOM 0 H5' DA 1 4 5.608 5.910 8.051 1.00 0.00 H new ATOM 0 H5'' DA 1 4 6.113 7.297 8.996 1.00 0.00 H new ATOM 0 H4' DA 1 4 3.770 7.151 9.122 1.00 0.00 H new ATOM 0 H3' DA 1 4 5.278 7.053 11.592 1.00 0.00 H new ATOM 0 H2' DA 1 4 4.502 4.870 12.198 1.00 0.00 H new ATOM 0 H2'' DA 1 4 3.143 5.825 12.758 1.00 0.00 H new ATOM 0 H1' DA 1 4 1.889 5.472 10.737 1.00 0.00 H new ATOM 0 H8 DA 1 4 4.561 2.670 11.109 1.00 0.00 H new ATOM 0 H61 DA 1 4 -0.320 -1.097 10.466 1.00 0.00 H new ATOM 0 H62 DA 1 4 1.444 -0.996 10.453 1.00 0.00 H new ATOM 0 H2 DA 1 4 -1.858 3.074 11.046 1.00 0.00 H new ATOM 124 P DT 1 5 3.123 8.605 12.751 1.00 0.00 P ATOM 125 OP1 DT 1 5 3.039 10.073 12.589 1.00 0.00 O ATOM 126 OP2 DT 1 5 3.995 8.026 13.800 1.00 0.00 O ATOM 127 O5' DT 1 5 1.630 8.027 12.949 1.00 0.00 O ATOM 128 C5' DT 1 5 0.590 8.349 12.037 1.00 0.00 C ATOM 129 C4' DT 1 5 -0.762 7.882 12.578 1.00 0.00 C ATOM 130 O4' DT 1 5 -0.799 6.470 12.605 1.00 0.00 O ATOM 131 C3' DT 1 5 -1.007 8.397 14.007 1.00 0.00 C ATOM 132 O3' DT 1 5 -2.290 8.991 14.068 1.00 0.00 O ATOM 133 C2' DT 1 5 -0.885 7.131 14.855 1.00 0.00 C ATOM 134 C1' DT 1 5 -1.312 6.061 13.854 1.00 0.00 C ATOM 135 N1 DT 1 5 -0.776 4.705 14.144 1.00 0.00 N ATOM 136 C2 DT 1 5 -1.658 3.622 14.033 1.00 0.00 C ATOM 137 O2 DT 1 5 -2.874 3.738 13.883 1.00 0.00 O ATOM 138 N3 DT 1 5 -1.074 2.366 14.072 1.00 0.00 N ATOM 139 C4 DT 1 5 0.286 2.092 14.154 1.00 0.00 C ATOM 140 O4 DT 1 5 0.686 0.946 14.020 1.00 0.00 O ATOM 141 C5 DT 1 5 1.133 3.255 14.346 1.00 0.00 C ATOM 142 C7 DT 1 5 2.630 3.067 14.549 1.00 0.00 C ATOM 143 C6 DT 1 5 0.587 4.501 14.318 1.00 0.00 C ATOM 0 H5' DT 1 5 0.785 7.878 11.073 1.00 0.00 H new ATOM 0 H5'' DT 1 5 0.568 9.425 11.867 1.00 0.00 H new ATOM 0 H4' DT 1 5 -1.535 8.280 11.921 1.00 0.00 H new ATOM 0 H3' DT 1 5 -0.316 9.167 14.350 1.00 0.00 H new ATOM 0 H2' DT 1 5 0.131 6.974 15.216 1.00 0.00 H new ATOM 0 H2'' DT 1 5 -1.534 7.158 15.730 1.00 0.00 H new ATOM 0 H1' DT 1 5 -2.398 5.976 13.891 1.00 0.00 H new ATOM 0 H3 DT 1 5 -1.704 1.564 14.037 1.00 0.00 H new ATOM 0 H71 DT 1 5 3.162 3.934 14.158 1.00 0.00 H new ATOM 0 H72 DT 1 5 2.842 2.960 15.613 1.00 0.00 H new ATOM 0 H73 DT 1 5 2.959 2.172 14.022 1.00 0.00 H new ATOM 0 H6 DT 1 5 1.234 5.358 14.435 1.00 0.00 H new HETATM 156 P DFT 1 6 -2.865 9.691 15.403 1.00 0.00 P HETATM 157 OP1 DFT 1 6 -3.536 10.950 15.013 1.00 0.00 O HETATM 158 OP2 DFT 1 6 -1.813 9.703 16.446 1.00 0.00 O HETATM 159 O5' DFT 1 6 -3.984 8.617 15.823 1.00 0.00 O HETATM 160 C5' DFT 1 6 -5.127 8.402 15.014 1.00 0.00 C HETATM 161 C4' DFT 1 6 -6.007 7.323 15.621 1.00 0.00 C HETATM 162 O4' DFT 1 6 -5.330 6.063 15.615 1.00 0.00 O HETATM 163 C3' DFT 1 6 -6.381 7.630 17.075 1.00 0.00 C HETATM 164 O3' DFT 1 6 -7.775 7.323 17.228 1.00 0.00 O HETATM 165 C2' DFT 1 6 -5.434 6.721 17.854 1.00 0.00 C HETATM 166 C1' DFT 1 6 -5.308 5.523 16.929 1.00 0.00 C HETATM 167 C2 DFT 1 6 -4.093 3.293 16.916 1.00 0.00 C HETATM 168 C4 DFT 1 6 -1.696 3.132 17.316 1.00 0.00 C HETATM 169 C5 DFT 1 6 -1.620 4.528 17.515 1.00 0.00 C HETATM 170 C5M DFT 1 6 -0.302 5.187 17.901 1.00 0.00 C HETATM 171 C6 DFT 1 6 -2.796 5.302 17.381 1.00 0.00 C HETATM 172 F4 DFT 1 6 -0.595 2.386 17.408 1.00 0.00 F HETATM 173 C3 DFT 1 6 -2.931 2.517 17.026 1.00 0.00 C HETATM 174 F2 DFT 1 6 -5.239 2.694 16.585 1.00 0.00 F HETATM 175 C1 DFT 1 6 -4.051 4.681 17.159 1.00 0.00 C HETATM 0 H5'' DFT 1 6 -5.692 9.329 14.917 1.00 0.00 H new HETATM 0 H2'' DFT 1 6 -4.471 7.197 18.037 1.00 0.00 H new HETATM 0 H73 DFT 1 6 0.048 4.774 18.847 1.00 0.00 H new HETATM 0 H72 DFT 1 6 0.440 4.998 17.126 1.00 0.00 H new HETATM 0 H71 DFT 1 6 -0.450 6.262 18.007 1.00 0.00 H new HETATM 0 H6 DFT 1 6 -2.737 6.388 17.449 1.00 0.00 H new HETATM 0 H5' DFT 1 6 -4.820 8.109 14.010 1.00 0.00 H new HETATM 0 H4' DFT 1 6 -6.910 7.290 15.012 1.00 0.00 H new HETATM 0 H3' DFT 1 6 -6.272 8.660 17.414 1.00 0.00 H new HETATM 0 H3 DFT 1 6 -2.982 1.437 16.887 1.00 0.00 H new HETATM 0 H2' DFT 1 6 -5.843 6.444 18.826 1.00 0.00 H new HETATM 0 H1' DFT 1 6 -6.124 4.825 17.116 1.00 0.00 H new ATOM 188 P DG 1 7 -8.357 7.513 18.732 1.00 0.00 P ATOM 189 OP1 DG 1 7 -9.814 7.745 18.621 1.00 0.00 O ATOM 190 OP2 DG 1 7 -7.514 8.466 19.492 1.00 0.00 O ATOM 191 O5' DG 1 7 -8.130 6.029 19.324 1.00 0.00 O ATOM 192 C5' DG 1 7 -8.769 4.912 18.733 1.00 0.00 C ATOM 193 C4' DG 1 7 -8.293 3.603 19.356 1.00 0.00 C ATOM 194 O4' DG 1 7 -6.913 3.402 19.137 1.00 0.00 O ATOM 195 C3' DG 1 7 -8.533 3.523 20.876 1.00 0.00 C ATOM 196 O3' DG 1 7 -9.482 2.492 21.102 1.00 0.00 O ATOM 197 C2' DG 1 7 -7.135 3.237 21.431 1.00 0.00 C ATOM 198 C1' DG 1 7 -6.461 2.621 20.216 1.00 0.00 C ATOM 199 N9 DG 1 7 -4.993 2.682 20.302 1.00 0.00 N ATOM 200 C8 DG 1 7 -4.171 3.746 20.576 1.00 0.00 C ATOM 201 N7 DG 1 7 -2.904 3.453 20.616 1.00 0.00 N ATOM 202 C5 DG 1 7 -2.886 2.088 20.371 1.00 0.00 C ATOM 203 C6 DG 1 7 -1.791 1.176 20.368 1.00 0.00 C ATOM 204 O6 DG 1 7 -0.611 1.455 20.534 1.00 0.00 O ATOM 205 N1 DG 1 7 -2.190 -0.155 20.169 1.00 0.00 N ATOM 206 C2 DG 1 7 -3.513 -0.556 20.003 1.00 0.00 C ATOM 207 N2 DG 1 7 -3.775 -1.862 19.907 1.00 0.00 N ATOM 208 N3 DG 1 7 -4.541 0.310 20.002 1.00 0.00 N ATOM 209 C4 DG 1 7 -4.162 1.606 20.192 1.00 0.00 C ATOM 0 H5' DG 1 7 -8.568 4.901 17.662 1.00 0.00 H new ATOM 0 H5'' DG 1 7 -9.848 5.003 18.854 1.00 0.00 H new ATOM 0 H4' DG 1 7 -8.886 2.832 18.864 1.00 0.00 H new ATOM 0 H3' DG 1 7 -8.946 4.411 21.355 1.00 0.00 H new ATOM 0 H2' DG 1 7 -6.631 4.143 21.767 1.00 0.00 H new ATOM 0 H2'' DG 1 7 -7.160 2.553 22.280 1.00 0.00 H new ATOM 0 H1' DG 1 7 -6.707 1.563 20.120 1.00 0.00 H new ATOM 0 H8 DG 1 7 -4.545 4.745 20.745 1.00 0.00 H new ATOM 0 H1 DG 1 7 -1.466 -0.873 20.144 1.00 0.00 H new ATOM 0 H21 DG 1 7 -4.736 -2.182 19.785 1.00 0.00 H new ATOM 0 H22 DG 1 7 -3.014 -2.540 19.956 1.00 0.00 H new ATOM 221 P DT 1 8 -9.864 1.927 22.563 1.00 0.00 P ATOM 222 OP1 DT 1 8 -11.296 1.554 22.549 1.00 0.00 O ATOM 223 OP2 DT 1 8 -9.355 2.859 23.595 1.00 0.00 O ATOM 224 O5' DT 1 8 -8.984 0.572 22.605 1.00 0.00 O ATOM 225 C5' DT 1 8 -9.219 -0.487 21.686 1.00 0.00 C ATOM 226 C4' DT 1 8 -8.391 -1.727 22.035 1.00 0.00 C ATOM 227 O4' DT 1 8 -7.015 -1.454 21.841 1.00 0.00 O ATOM 228 C3' DT 1 8 -8.592 -2.158 23.500 1.00 0.00 C ATOM 229 O3' DT 1 8 -8.792 -3.562 23.565 1.00 0.00 O ATOM 230 C2' DT 1 8 -7.279 -1.725 24.145 1.00 0.00 C ATOM 231 C1' DT 1 8 -6.316 -1.916 22.975 1.00 0.00 C ATOM 232 N1 DT 1 8 -5.058 -1.144 23.151 1.00 0.00 N ATOM 233 C2 DT 1 8 -3.854 -1.851 23.246 1.00 0.00 C ATOM 234 O2 DT 1 8 -3.771 -3.075 23.151 1.00 0.00 O ATOM 235 N3 DT 1 8 -2.720 -1.081 23.464 1.00 0.00 N ATOM 236 C4 DT 1 8 -2.677 0.300 23.630 1.00 0.00 C ATOM 237 O4 DT 1 8 -1.609 0.860 23.859 1.00 0.00 O ATOM 238 C5 DT 1 8 -3.965 0.964 23.514 1.00 0.00 C ATOM 239 C7 DT 1 8 -4.053 2.463 23.750 1.00 0.00 C ATOM 240 C6 DT 1 8 -5.090 0.236 23.270 1.00 0.00 C ATOM 0 H5' DT 1 8 -8.973 -0.156 20.677 1.00 0.00 H new ATOM 0 H5'' DT 1 8 -10.278 -0.743 21.688 1.00 0.00 H new ATOM 0 H4' DT 1 8 -8.726 -2.533 21.382 1.00 0.00 H new ATOM 0 H3' DT 1 8 -9.461 -1.723 23.993 1.00 0.00 H new ATOM 0 H2' DT 1 8 -7.309 -0.692 24.493 1.00 0.00 H new ATOM 0 H2'' DT 1 8 -7.016 -2.343 25.004 1.00 0.00 H new ATOM 0 H1' DT 1 8 -6.015 -2.960 22.889 1.00 0.00 H new ATOM 0 H3 DT 1 8 -1.830 -1.577 23.507 1.00 0.00 H new ATOM 0 H71 DT 1 8 -4.861 2.879 23.148 1.00 0.00 H new ATOM 0 H72 DT 1 8 -4.250 2.654 24.805 1.00 0.00 H new ATOM 0 H73 DT 1 8 -3.111 2.932 23.466 1.00 0.00 H new ATOM 0 H6 DT 1 8 -6.034 0.749 23.166 1.00 0.00 H new ATOM 253 P DT 1 9 -9.107 -4.335 24.952 1.00 0.00 P ATOM 254 OP1 DT 1 9 -10.018 -5.461 24.649 1.00 0.00 O ATOM 255 OP2 DT 1 9 -9.488 -3.339 25.980 1.00 0.00 O ATOM 256 O5' DT 1 9 -7.666 -4.942 25.353 1.00 0.00 O ATOM 257 C5' DT 1 9 -7.093 -6.022 24.635 1.00 0.00 C ATOM 258 C4' DT 1 9 -5.761 -6.443 25.259 1.00 0.00 C ATOM 259 O4' DT 1 9 -4.840 -5.377 25.135 1.00 0.00 O ATOM 260 C3' DT 1 9 -5.889 -6.791 26.756 1.00 0.00 C ATOM 261 O3' DT 1 9 -5.241 -8.028 27.016 1.00 0.00 O ATOM 262 C2' DT 1 9 -5.191 -5.617 27.439 1.00 0.00 C ATOM 263 C1' DT 1 9 -4.170 -5.238 26.366 1.00 0.00 C ATOM 264 N1 DT 1 9 -3.669 -3.843 26.493 1.00 0.00 N ATOM 265 C2 DT 1 9 -2.287 -3.623 26.445 1.00 0.00 C ATOM 266 O2 DT 1 9 -1.454 -4.522 26.342 1.00 0.00 O ATOM 267 N3 DT 1 9 -1.886 -2.294 26.527 1.00 0.00 N ATOM 268 C4 DT 1 9 -2.716 -1.188 26.699 1.00 0.00 C ATOM 269 O4 DT 1 9 -2.240 -0.066 26.821 1.00 0.00 O ATOM 270 C5 DT 1 9 -4.135 -1.496 26.714 1.00 0.00 C ATOM 271 C7 DT 1 9 -5.142 -0.373 26.904 1.00 0.00 C ATOM 272 C6 DT 1 9 -4.555 -2.785 26.601 1.00 0.00 C ATOM 0 H5' DT 1 9 -6.937 -5.732 23.596 1.00 0.00 H new ATOM 0 H5'' DT 1 9 -7.781 -6.867 24.630 1.00 0.00 H new ATOM 0 H4' DT 1 9 -5.425 -7.336 24.731 1.00 0.00 H new ATOM 0 H3' DT 1 9 -6.913 -6.918 27.106 1.00 0.00 H new ATOM 0 H2' DT 1 9 -5.877 -4.801 27.665 1.00 0.00 H new ATOM 0 H2'' DT 1 9 -4.718 -5.905 28.378 1.00 0.00 H new ATOM 0 H1' DT 1 9 -3.294 -5.880 26.460 1.00 0.00 H new ATOM 0 H3 DT 1 9 -0.885 -2.111 26.454 1.00 0.00 H new ATOM 0 H71 DT 1 9 -6.069 -0.624 26.388 1.00 0.00 H new ATOM 0 H72 DT 1 9 -5.343 -0.240 27.967 1.00 0.00 H new ATOM 0 H73 DT 1 9 -4.737 0.552 26.493 1.00 0.00 H new ATOM 0 H6 DT 1 9 -5.615 -2.990 26.595 1.00 0.00 H new ATOM 285 P DA 1 10 -5.265 -8.732 28.472 1.00 0.00 P ATOM 286 OP1 DA 1 10 -5.051 -10.183 28.279 1.00 0.00 O ATOM 287 OP2 DA 1 10 -6.459 -8.258 29.209 1.00 0.00 O ATOM 288 O5' DA 1 10 -3.956 -8.116 29.190 1.00 0.00 O ATOM 289 C5' DA 1 10 -2.654 -8.571 28.869 1.00 0.00 C ATOM 290 C4' DA 1 10 -1.595 -7.840 29.695 1.00 0.00 C ATOM 291 O4' DA 1 10 -1.456 -6.502 29.254 1.00 0.00 O ATOM 292 C3' DA 1 10 -1.913 -7.799 31.206 1.00 0.00 C ATOM 293 O3' DA 1 10 -0.750 -8.219 31.897 1.00 0.00 O ATOM 294 C2' DA 1 10 -2.199 -6.314 31.431 1.00 0.00 C ATOM 295 C1' DA 1 10 -1.243 -5.725 30.407 1.00 0.00 C ATOM 296 N9 DA 1 10 -1.466 -4.297 30.119 1.00 0.00 N ATOM 297 C8 DA 1 10 -2.636 -3.592 29.962 1.00 0.00 C ATOM 298 N7 DA 1 10 -2.465 -2.326 29.704 1.00 0.00 N ATOM 299 C5 DA 1 10 -1.084 -2.180 29.680 1.00 0.00 C ATOM 300 C6 DA 1 10 -0.219 -1.076 29.482 1.00 0.00 C ATOM 301 N6 DA 1 10 -0.650 0.150 29.176 1.00 0.00 N ATOM 302 N1 DA 1 10 1.118 -1.281 29.554 1.00 0.00 N ATOM 303 C2 DA 1 10 1.587 -2.510 29.781 1.00 0.00 C ATOM 304 N3 DA 1 10 0.881 -3.625 29.975 1.00 0.00 N ATOM 305 C4 DA 1 10 -0.466 -3.386 29.924 1.00 0.00 C ATOM 0 H5' DA 1 10 -2.463 -8.415 27.807 1.00 0.00 H new ATOM 0 H5'' DA 1 10 -2.585 -9.643 29.051 1.00 0.00 H new ATOM 0 H4' DA 1 10 -0.676 -8.407 29.550 1.00 0.00 H new ATOM 0 H3' DA 1 10 -2.734 -8.433 31.542 1.00 0.00 H new ATOM 0 H2' DA 1 10 -3.239 -6.052 31.235 1.00 0.00 H new ATOM 0 H2'' DA 1 10 -1.976 -5.992 32.448 1.00 0.00 H new ATOM 0 H1' DA 1 10 -0.220 -5.757 30.782 1.00 0.00 H new ATOM 0 H8 DA 1 10 -3.612 -4.048 30.045 1.00 0.00 H new ATOM 0 H61 DA 1 10 0.020 0.908 29.045 1.00 0.00 H new ATOM 0 H62 DA 1 10 -1.649 0.329 29.073 1.00 0.00 H new ATOM 0 H2 DA 1 10 2.662 -2.613 29.811 1.00 0.00 H new ATOM 317 P DC 1 11 -0.673 -8.449 33.494 1.00 0.00 P ATOM 318 OP1 DC 1 11 -0.482 -9.894 33.745 1.00 0.00 O ATOM 319 OP2 DC 1 11 -1.772 -7.718 34.165 1.00 0.00 O ATOM 320 O5' DC 1 11 0.711 -7.683 33.802 1.00 0.00 O ATOM 321 C5' DC 1 11 1.937 -8.122 33.240 1.00 0.00 C ATOM 322 C4' DC 1 11 3.050 -7.106 33.500 1.00 0.00 C ATOM 323 O4' DC 1 11 2.704 -5.884 32.872 1.00 0.00 O ATOM 324 C3' DC 1 11 3.251 -6.842 35.001 1.00 0.00 C ATOM 325 O3' DC 1 11 4.642 -6.773 35.275 1.00 0.00 O ATOM 326 C2' DC 1 11 2.524 -5.513 35.194 1.00 0.00 C ATOM 327 C1' DC 1 11 2.749 -4.853 33.833 1.00 0.00 C ATOM 328 N1 DC 1 11 1.725 -3.826 33.497 1.00 0.00 N ATOM 329 C2 DC 1 11 2.152 -2.579 33.021 1.00 0.00 C ATOM 330 O2 DC 1 11 3.343 -2.337 32.847 1.00 0.00 O ATOM 331 N3 DC 1 11 1.201 -1.638 32.740 1.00 0.00 N ATOM 332 C4 DC 1 11 -0.113 -1.895 32.867 1.00 0.00 C ATOM 333 N4 DC 1 11 -0.992 -0.941 32.554 1.00 0.00 N ATOM 334 C5 DC 1 11 -0.578 -3.181 33.309 1.00 0.00 C ATOM 335 C6 DC 1 11 0.373 -4.103 33.607 1.00 0.00 C ATOM 0 H5' DC 1 11 1.818 -8.270 32.167 1.00 0.00 H new ATOM 0 H5'' DC 1 11 2.213 -9.087 33.666 1.00 0.00 H new ATOM 0 H4' DC 1 11 3.978 -7.514 33.099 1.00 0.00 H new ATOM 0 H3' DC 1 11 2.868 -7.608 35.675 1.00 0.00 H new ATOM 0 H2' DC 1 11 1.466 -5.651 35.415 1.00 0.00 H new ATOM 0 H2'' DC 1 11 2.946 -4.927 36.011 1.00 0.00 H new ATOM 0 H1' DC 1 11 3.706 -4.331 33.852 1.00 0.00 H new ATOM 0 H41 DC 1 11 -1.992 -1.119 32.645 1.00 0.00 H new ATOM 0 H42 DC 1 11 -0.664 -0.033 32.224 1.00 0.00 H new ATOM 0 H5 DC 1 11 -1.631 -3.403 33.400 1.00 0.00 H new ATOM 0 H6 DC 1 11 0.065 -5.083 33.940 1.00 0.00 H new ATOM 347 P DC 1 12 5.222 -6.532 36.763 1.00 0.00 P ATOM 348 OP1 DC 1 12 6.647 -6.929 36.780 1.00 0.00 O ATOM 349 OP2 DC 1 12 4.279 -7.113 37.745 1.00 0.00 O ATOM 350 O5' DC 1 12 5.141 -4.931 36.870 1.00 0.00 O ATOM 351 C5' DC 1 12 5.989 -4.093 36.108 1.00 0.00 C ATOM 352 C4' DC 1 12 5.647 -2.619 36.325 1.00 0.00 C ATOM 353 O4' DC 1 12 4.419 -2.361 35.670 1.00 0.00 O ATOM 354 C3' DC 1 12 5.407 -2.251 37.805 1.00 0.00 C ATOM 355 O3' DC 1 12 6.504 -1.560 38.375 1.00 0.00 O ATOM 356 C2' DC 1 12 4.178 -1.335 37.744 1.00 0.00 C ATOM 357 C1' DC 1 12 3.936 -1.176 36.244 1.00 0.00 C ATOM 358 N1 DC 1 12 2.495 -0.914 35.962 1.00 0.00 N ATOM 359 C2 DC 1 12 2.104 0.413 35.735 1.00 0.00 C ATOM 360 O2 DC 1 12 2.933 1.314 35.656 1.00 0.00 O ATOM 361 N3 DC 1 12 0.772 0.688 35.614 1.00 0.00 N ATOM 362 C4 DC 1 12 -0.163 -0.267 35.746 1.00 0.00 C ATOM 363 N4 DC 1 12 -1.442 0.071 35.559 1.00 0.00 N ATOM 364 C5 DC 1 12 0.208 -1.632 36.027 1.00 0.00 C ATOM 365 C6 DC 1 12 1.538 -1.904 36.110 1.00 0.00 C ATOM 0 H5' DC 1 12 5.894 -4.340 35.051 1.00 0.00 H new ATOM 0 H5'' DC 1 12 7.028 -4.273 36.385 1.00 0.00 H new ATOM 0 H4' DC 1 12 6.493 -2.043 35.950 1.00 0.00 H new ATOM 0 H3' DC 1 12 5.272 -3.136 38.428 1.00 0.00 H new ATOM 0 H2' DC 1 12 3.319 -1.780 38.246 1.00 0.00 H new ATOM 0 H2'' DC 1 12 4.367 -0.375 38.226 1.00 0.00 H new ATOM 0 HO3' DC 1 12 6.306 -1.347 39.311 1.00 0.00 H new ATOM 0 H1' DC 1 12 4.451 -0.316 35.817 1.00 0.00 H new ATOM 0 H41 DC 1 12 -2.174 -0.633 35.652 1.00 0.00 H new ATOM 0 H42 DC 1 12 -1.686 1.033 35.323 1.00 0.00 H new ATOM 0 H5 DC 1 12 -0.536 -2.403 36.165 1.00 0.00 H new ATOM 0 H6 DC 1 12 1.856 -2.919 36.296 1.00 0.00 H new TER 378 DC 1 12 ATOM 379 O5' DG 2 1 -2.478 12.332 33.541 1.00 0.00 O ATOM 380 C5' DG 2 1 -1.842 11.078 33.511 1.00 0.00 C ATOM 381 C4' DG 2 1 -0.415 10.661 33.940 1.00 0.00 C ATOM 382 O4' DG 2 1 -0.547 9.425 34.622 1.00 0.00 O ATOM 383 C3' DG 2 1 0.509 10.393 32.725 1.00 0.00 C ATOM 384 O3' DG 2 1 1.858 10.644 33.082 1.00 0.00 O ATOM 385 C2' DG 2 1 0.229 8.929 32.434 1.00 0.00 C ATOM 386 C1' DG 2 1 0.087 8.428 33.862 1.00 0.00 C ATOM 387 N9 DG 2 1 -0.668 7.163 33.914 1.00 0.00 N ATOM 388 C8 DG 2 1 -1.977 6.894 33.595 1.00 0.00 C ATOM 389 N7 DG 2 1 -2.308 5.638 33.725 1.00 0.00 N ATOM 390 C5 DG 2 1 -1.136 5.031 34.165 1.00 0.00 C ATOM 391 C6 DG 2 1 -0.852 3.663 34.474 1.00 0.00 C ATOM 392 O6 DG 2 1 -1.619 2.709 34.396 1.00 0.00 O ATOM 393 N1 DG 2 1 0.473 3.464 34.897 1.00 0.00 N ATOM 394 C2 DG 2 1 1.426 4.476 34.982 1.00 0.00 C ATOM 395 N2 DG 2 1 2.682 4.146 35.295 1.00 0.00 N ATOM 396 N3 DG 2 1 1.155 5.756 34.682 1.00 0.00 N ATOM 397 C4 DG 2 1 -0.134 5.966 34.288 1.00 0.00 C ATOM 0 H5' DG 2 1 -1.915 10.762 32.470 1.00 0.00 H new ATOM 0 H5'' DG 2 1 -2.499 10.427 34.088 1.00 0.00 H new ATOM 0 H4' DG 2 1 0.018 11.462 34.539 1.00 0.00 H new ATOM 0 H3' DG 2 1 0.333 11.026 31.855 1.00 0.00 H new ATOM 0 H2' DG 2 1 -0.676 8.782 31.844 1.00 0.00 H new ATOM 0 H2'' DG 2 1 1.043 8.443 31.896 1.00 0.00 H new ATOM 0 HO5' DG 2 1 -3.390 12.245 33.192 1.00 0.00 H new ATOM 0 H1' DG 2 1 1.075 8.222 34.274 1.00 0.00 H new ATOM 0 H8 DG 2 1 -2.670 7.654 33.266 1.00 0.00 H new ATOM 0 H1 DG 2 1 0.755 2.519 35.158 1.00 0.00 H new ATOM 0 H21 DG 2 1 3.398 4.870 35.363 1.00 0.00 H new ATOM 0 H22 DG 2 1 2.925 3.170 35.466 1.00 0.00 H new ATOM 410 P DG 2 2 3.056 10.610 31.997 1.00 0.00 P ATOM 411 OP1 DG 2 2 4.041 11.648 32.372 1.00 0.00 O ATOM 412 OP2 DG 2 2 2.475 10.608 30.635 1.00 0.00 O ATOM 413 O5' DG 2 2 3.708 9.161 32.266 1.00 0.00 O ATOM 414 C5' DG 2 2 4.471 8.902 33.431 1.00 0.00 C ATOM 415 C4' DG 2 2 5.166 7.543 33.336 1.00 0.00 C ATOM 416 O4' DG 2 2 4.206 6.510 33.436 1.00 0.00 O ATOM 417 C3' DG 2 2 5.913 7.361 31.999 1.00 0.00 C ATOM 418 O3' DG 2 2 7.185 6.786 32.255 1.00 0.00 O ATOM 419 C2' DG 2 2 4.985 6.413 31.239 1.00 0.00 C ATOM 420 C1' DG 2 2 4.468 5.586 32.406 1.00 0.00 C ATOM 421 N9 DG 2 2 3.230 4.867 32.067 1.00 0.00 N ATOM 422 C8 DG 2 2 2.023 5.359 31.641 1.00 0.00 C ATOM 423 N7 DG 2 2 1.093 4.458 31.508 1.00 0.00 N ATOM 424 C5 DG 2 2 1.731 3.281 31.872 1.00 0.00 C ATOM 425 C6 DG 2 2 1.229 1.947 31.947 1.00 0.00 C ATOM 426 O6 DG 2 2 0.088 1.580 31.694 1.00 0.00 O ATOM 427 N1 DG 2 2 2.203 1.020 32.346 1.00 0.00 N ATOM 428 C2 DG 2 2 3.523 1.351 32.639 1.00 0.00 C ATOM 429 N2 DG 2 2 4.382 0.361 32.898 1.00 0.00 N ATOM 430 N3 DG 2 2 3.984 2.613 32.590 1.00 0.00 N ATOM 431 C4 DG 2 2 3.046 3.522 32.200 1.00 0.00 C ATOM 0 H5' DG 2 2 3.823 8.923 34.307 1.00 0.00 H new ATOM 0 H5'' DG 2 2 5.215 9.687 33.565 1.00 0.00 H new ATOM 0 H4' DG 2 2 5.887 7.499 34.152 1.00 0.00 H new ATOM 0 H3' DG 2 2 6.110 8.278 31.443 1.00 0.00 H new ATOM 0 H2' DG 2 2 4.189 6.938 30.712 1.00 0.00 H new ATOM 0 H2'' DG 2 2 5.514 5.811 30.500 1.00 0.00 H new ATOM 0 H1' DG 2 2 5.200 4.829 32.689 1.00 0.00 H new ATOM 0 H8 DG 2 2 1.858 6.406 31.433 1.00 0.00 H new ATOM 0 H1 DG 2 2 1.927 0.041 32.427 1.00 0.00 H new ATOM 0 H21 DG 2 2 5.355 0.574 33.116 1.00 0.00 H new ATOM 0 H22 DG 2 2 4.064 -0.608 32.878 1.00 0.00 H new ATOM 443 P DT 2 3 8.243 6.442 31.082 1.00 0.00 P ATOM 444 OP1 DT 2 3 9.605 6.617 31.634 1.00 0.00 O ATOM 445 OP2 DT 2 3 7.849 7.171 29.855 1.00 0.00 O ATOM 446 O5' DT 2 3 7.993 4.864 30.834 1.00 0.00 O ATOM 447 C5' DT 2 3 8.402 3.894 31.786 1.00 0.00 C ATOM 448 C4' DT 2 3 8.147 2.473 31.275 1.00 0.00 C ATOM 449 O4' DT 2 3 6.755 2.253 31.161 1.00 0.00 O ATOM 450 C3' DT 2 3 8.781 2.201 29.895 1.00 0.00 C ATOM 451 O3' DT 2 3 9.525 0.993 29.954 1.00 0.00 O ATOM 452 C2' DT 2 3 7.560 2.097 28.978 1.00 0.00 C ATOM 453 C1' DT 2 3 6.533 1.545 29.963 1.00 0.00 C ATOM 454 N1 DT 2 3 5.126 1.738 29.523 1.00 0.00 N ATOM 455 C2 DT 2 3 4.257 0.640 29.576 1.00 0.00 C ATOM 456 O2 DT 2 3 4.598 -0.489 29.926 1.00 0.00 O ATOM 457 N3 DT 2 3 2.941 0.896 29.212 1.00 0.00 N ATOM 458 C4 DT 2 3 2.427 2.112 28.769 1.00 0.00 C ATOM 459 O4 DT 2 3 1.256 2.198 28.416 1.00 0.00 O ATOM 460 C5 DT 2 3 3.379 3.209 28.779 1.00 0.00 C ATOM 461 C7 DT 2 3 2.930 4.598 28.358 1.00 0.00 C ATOM 462 C6 DT 2 3 4.668 2.992 29.154 1.00 0.00 C ATOM 0 H5' DT 2 3 7.864 4.049 32.721 1.00 0.00 H new ATOM 0 H5'' DT 2 3 9.462 4.020 32.004 1.00 0.00 H new ATOM 0 H4' DT 2 3 8.607 1.800 31.999 1.00 0.00 H new ATOM 0 H3' DT 2 3 9.482 2.961 29.550 1.00 0.00 H new ATOM 0 H2' DT 2 3 7.265 3.062 28.566 1.00 0.00 H new ATOM 0 H2'' DT 2 3 7.729 1.428 28.134 1.00 0.00 H new ATOM 0 H1' DT 2 3 6.659 0.467 30.062 1.00 0.00 H new ATOM 0 H3 DT 2 3 2.287 0.116 29.276 1.00 0.00 H new ATOM 0 H71 DT 2 3 3.516 5.347 28.891 1.00 0.00 H new ATOM 0 H72 DT 2 3 3.077 4.718 27.285 1.00 0.00 H new ATOM 0 H73 DT 2 3 1.874 4.727 28.596 1.00 0.00 H new ATOM 0 H6 DT 2 3 5.357 3.824 29.164 1.00 0.00 H new ATOM 475 P DA 2 4 10.323 0.398 28.680 1.00 0.00 P ATOM 476 OP1 DA 2 4 11.458 -0.405 29.187 1.00 0.00 O ATOM 477 OP2 DA 2 4 10.569 1.494 27.717 1.00 0.00 O ATOM 478 O5' DA 2 4 9.234 -0.606 28.036 1.00 0.00 O ATOM 479 C5' DA 2 4 8.944 -1.860 28.630 1.00 0.00 C ATOM 480 C4' DA 2 4 7.912 -2.635 27.809 1.00 0.00 C ATOM 481 O4' DA 2 4 6.628 -2.048 27.934 1.00 0.00 O ATOM 482 C3' DA 2 4 8.245 -2.696 26.300 1.00 0.00 C ATOM 483 O3' DA 2 4 8.184 -4.053 25.895 1.00 0.00 O ATOM 484 C2' DA 2 4 7.150 -1.826 25.708 1.00 0.00 C ATOM 485 C1' DA 2 4 6.028 -2.171 26.668 1.00 0.00 C ATOM 486 N9 DA 2 4 4.888 -1.264 26.508 1.00 0.00 N ATOM 487 C8 DA 2 4 4.886 0.066 26.191 1.00 0.00 C ATOM 488 N7 DA 2 4 3.696 0.597 26.119 1.00 0.00 N ATOM 489 C5 DA 2 4 2.849 -0.477 26.375 1.00 0.00 C ATOM 490 C6 DA 2 4 1.441 -0.627 26.433 1.00 0.00 C ATOM 491 N6 DA 2 4 0.585 0.394 26.342 1.00 0.00 N ATOM 492 N1 DA 2 4 0.931 -1.867 26.620 1.00 0.00 N ATOM 493 C2 DA 2 4 1.754 -2.906 26.780 1.00 0.00 C ATOM 494 N3 DA 2 4 3.086 -2.889 26.791 1.00 0.00 N ATOM 495 C4 DA 2 4 3.576 -1.630 26.574 1.00 0.00 C ATOM 0 H5' DA 2 4 8.568 -1.708 29.642 1.00 0.00 H new ATOM 0 H5'' DA 2 4 9.859 -2.446 28.715 1.00 0.00 H new ATOM 0 H4' DA 2 4 7.930 -3.648 28.212 1.00 0.00 H new ATOM 0 H3' DA 2 4 9.233 -2.348 25.997 1.00 0.00 H new ATOM 0 H2' DA 2 4 7.402 -0.766 25.719 1.00 0.00 H new ATOM 0 H2'' DA 2 4 6.916 -2.087 24.676 1.00 0.00 H new ATOM 0 H1' DA 2 4 5.614 -3.165 26.500 1.00 0.00 H new ATOM 0 H8 DA 2 4 5.791 0.629 26.015 1.00 0.00 H new ATOM 0 H61 DA 2 4 -0.419 0.223 26.391 1.00 0.00 H new ATOM 0 H62 DA 2 4 0.936 1.345 26.224 1.00 0.00 H new ATOM 0 H2 DA 2 4 1.287 -3.870 26.916 1.00 0.00 H new ATOM 507 P DA 2 5 8.433 -4.567 24.386 1.00 0.00 P ATOM 508 OP1 DA 2 5 9.518 -5.572 24.418 1.00 0.00 O ATOM 509 OP2 DA 2 5 8.525 -3.409 23.469 1.00 0.00 O ATOM 510 O5' DA 2 5 7.036 -5.328 24.117 1.00 0.00 O ATOM 511 C5' DA 2 5 6.649 -6.454 24.889 1.00 0.00 C ATOM 512 C4' DA 2 5 5.290 -7.002 24.443 1.00 0.00 C ATOM 513 O4' DA 2 5 4.289 -6.031 24.682 1.00 0.00 O ATOM 514 C3' DA 2 5 5.274 -7.342 22.945 1.00 0.00 C ATOM 515 O3' DA 2 5 4.509 -8.525 22.740 1.00 0.00 O ATOM 516 C2' DA 2 5 4.619 -6.112 22.345 1.00 0.00 C ATOM 517 C1' DA 2 5 3.651 -5.736 23.459 1.00 0.00 C ATOM 518 N9 DA 2 5 3.325 -4.304 23.420 1.00 0.00 N ATOM 519 C8 DA 2 5 4.174 -3.228 23.384 1.00 0.00 C ATOM 520 N7 DA 2 5 3.569 -2.072 23.361 1.00 0.00 N ATOM 521 C5 DA 2 5 2.221 -2.412 23.404 1.00 0.00 C ATOM 522 C6 DA 2 5 1.020 -1.659 23.420 1.00 0.00 C ATOM 523 N6 DA 2 5 0.989 -0.324 23.377 1.00 0.00 N ATOM 524 N1 DA 2 5 -0.157 -2.324 23.492 1.00 0.00 N ATOM 525 C2 DA 2 5 -0.164 -3.659 23.535 1.00 0.00 C ATOM 526 N3 DA 2 5 0.890 -4.476 23.518 1.00 0.00 N ATOM 527 C4 DA 2 5 2.066 -3.779 23.450 1.00 0.00 C ATOM 0 H5' DA 2 5 6.602 -6.176 25.942 1.00 0.00 H new ATOM 0 H5'' DA 2 5 7.404 -7.235 24.799 1.00 0.00 H new ATOM 0 H4' DA 2 5 5.103 -7.912 25.013 1.00 0.00 H new ATOM 0 H3' DA 2 5 6.249 -7.546 22.502 1.00 0.00 H new ATOM 0 H2' DA 2 5 5.338 -5.320 22.137 1.00 0.00 H new ATOM 0 H2'' DA 2 5 4.107 -6.331 21.408 1.00 0.00 H new ATOM 0 H1' DA 2 5 2.721 -6.293 23.342 1.00 0.00 H new ATOM 0 H8 DA 2 5 5.249 -3.328 23.375 1.00 0.00 H new ATOM 0 H61 DA 2 5 0.095 0.166 23.391 1.00 0.00 H new ATOM 0 H62 DA 2 5 1.860 0.205 23.330 1.00 0.00 H new ATOM 0 H2 DA 2 5 -1.134 -4.131 23.590 1.00 0.00 H new ATOM 539 P DC 2 6 4.253 -9.167 21.275 1.00 0.00 P ATOM 540 OP1 DC 2 6 3.838 -10.575 21.457 1.00 0.00 O ATOM 541 OP2 DC 2 6 5.414 -8.849 20.414 1.00 0.00 O ATOM 542 O5' DC 2 6 2.981 -8.337 20.724 1.00 0.00 O ATOM 543 C5' DC 2 6 1.679 -8.522 21.249 1.00 0.00 C ATOM 544 C4' DC 2 6 0.668 -7.657 20.495 1.00 0.00 C ATOM 545 O4' DC 2 6 0.787 -6.291 20.848 1.00 0.00 O ATOM 546 C3' DC 2 6 0.813 -7.730 18.960 1.00 0.00 C ATOM 547 O3' DC 2 6 -0.427 -8.041 18.370 1.00 0.00 O ATOM 548 C2' DC 2 6 1.079 -6.287 18.571 1.00 0.00 C ATOM 549 C1' DC 2 6 0.376 -5.564 19.712 1.00 0.00 C ATOM 550 N1 DC 2 6 0.750 -4.132 19.818 1.00 0.00 N ATOM 551 C2 DC 2 6 -0.264 -3.186 20.012 1.00 0.00 C ATOM 552 O2 DC 2 6 -1.446 -3.513 19.994 1.00 0.00 O ATOM 553 N3 DC 2 6 0.102 -1.886 20.225 1.00 0.00 N ATOM 554 C4 DC 2 6 1.395 -1.509 20.248 1.00 0.00 C ATOM 555 N4 DC 2 6 1.692 -0.220 20.417 1.00 0.00 N ATOM 556 C5 DC 2 6 2.450 -2.464 20.045 1.00 0.00 C ATOM 557 C6 DC 2 6 2.075 -3.746 19.828 1.00 0.00 C ATOM 0 H5' DC 2 6 1.668 -8.265 22.308 1.00 0.00 H new ATOM 0 H5'' DC 2 6 1.396 -9.572 21.173 1.00 0.00 H new ATOM 0 H4' DC 2 6 -0.301 -8.063 20.786 1.00 0.00 H new ATOM 0 H3' DC 2 6 1.564 -8.460 18.660 1.00 0.00 H new ATOM 0 H2' DC 2 6 2.144 -6.058 18.527 1.00 0.00 H new ATOM 0 H2'' DC 2 6 0.659 -6.035 17.598 1.00 0.00 H new ATOM 0 H1' DC 2 6 -0.705 -5.537 19.575 1.00 0.00 H new ATOM 0 H41 DC 2 6 2.667 0.080 20.437 1.00 0.00 H new ATOM 0 H42 DC 2 6 0.945 0.465 20.527 1.00 0.00 H new ATOM 0 H5 DC 2 6 3.490 -2.173 20.065 1.00 0.00 H new ATOM 0 H6 DC 2 6 2.838 -4.491 19.657 1.00 0.00 H new HETATM 569 P MBZ 2 7 -0.767 -9.472 17.749 1.00 0.00 P HETATM 570 OP1 MBZ 2 7 -0.866 -10.468 18.839 1.00 0.00 O HETATM 571 OP2 MBZ 2 7 0.116 -9.706 16.585 1.00 0.00 O HETATM 572 O5' MBZ 2 7 -2.239 -9.082 17.236 1.00 0.00 O HETATM 573 O3' MBZ 2 7 -6.205 -8.123 16.047 1.00 0.00 O HETATM 574 C1' MBZ 2 7 -3.952 -6.136 16.291 1.00 0.00 C HETATM 575 C2' MBZ 2 7 -3.986 -7.333 15.343 1.00 0.00 C HETATM 576 C3' MBZ 2 7 -4.809 -8.329 16.159 1.00 0.00 C HETATM 577 C4' MBZ 2 7 -4.394 -7.993 17.598 1.00 0.00 C HETATM 578 C5' MBZ 2 7 -3.319 -8.941 18.143 1.00 0.00 C HETATM 579 O4' MBZ 2 7 -3.908 -6.661 17.603 1.00 0.00 O HETATM 580 C5M MBZ 2 7 0.706 -1.928 16.311 1.00 0.00 C HETATM 581 C6 MBZ 2 7 -0.823 -2.273 16.313 1.00 0.00 C HETATM 582 C7 MBZ 2 7 -1.261 -3.623 16.174 1.00 0.00 C HETATM 583 N7 MBZ 2 7 -0.555 -4.801 15.996 1.00 0.00 N HETATM 584 C8 MBZ 2 7 -1.454 -5.736 15.942 1.00 0.00 C HETATM 585 N1 MBZ 2 7 -2.746 -5.299 16.093 1.00 0.00 N HETATM 586 C9 MBZ 2 7 -2.604 -3.930 16.228 1.00 0.00 C HETATM 587 C10 MBZ 2 7 -3.599 -2.931 16.405 1.00 0.00 C HETATM 588 C11 MBZ 2 7 -3.195 -1.587 16.509 1.00 0.00 C HETATM 589 C12 MBZ 2 7 -1.821 -1.260 16.447 1.00 0.00 C HETATM 0 H5'' MBZ 2 7 -3.760 -9.918 18.339 1.00 0.00 H new HETATM 0 H2'' MBZ 2 7 -4.458 -7.091 14.390 1.00 0.00 H new HETATM 0 H8 MBZ 2 7 -1.202 -6.785 15.789 1.00 0.00 H new HETATM 0 H73 MBZ 2 7 1.197 -2.444 17.136 1.00 0.00 H new HETATM 0 H72 MBZ 2 7 1.150 -2.247 15.368 1.00 0.00 H new HETATM 0 H71 MBZ 2 7 0.836 -0.852 16.428 1.00 0.00 H new HETATM 0 H5' MBZ 2 7 -2.948 -8.562 19.095 1.00 0.00 H new HETATM 0 H4' MBZ 2 7 -5.262 -8.108 18.247 1.00 0.00 H new HETATM 0 H3' MBZ 2 7 -4.630 -9.353 15.832 1.00 0.00 H new HETATM 0 H2' MBZ 2 7 -2.988 -7.709 15.118 1.00 0.00 H new HETATM 0 H12 MBZ 2 7 -1.517 -0.215 16.503 1.00 0.00 H new HETATM 0 H11 MBZ 2 7 -3.939 -0.801 16.637 1.00 0.00 H new HETATM 0 H10 MBZ 2 7 -4.654 -3.200 16.459 1.00 0.00 H new HETATM 0 H1' MBZ 2 7 -4.825 -5.510 16.107 1.00 0.00 H new ATOM 604 P DA 2 8 -7.005 -8.276 14.655 1.00 0.00 P ATOM 605 OP1 DA 2 8 -8.341 -8.834 14.956 1.00 0.00 O ATOM 606 OP2 DA 2 8 -6.131 -8.943 13.663 1.00 0.00 O ATOM 607 O5' DA 2 8 -7.175 -6.726 14.235 1.00 0.00 O ATOM 608 C5' DA 2 8 -8.004 -5.854 14.986 1.00 0.00 C ATOM 609 C4' DA 2 8 -8.063 -4.459 14.360 1.00 0.00 C ATOM 610 O4' DA 2 8 -6.807 -3.819 14.478 1.00 0.00 O ATOM 611 C3' DA 2 8 -8.431 -4.501 12.865 1.00 0.00 C ATOM 612 O3' DA 2 8 -9.464 -3.558 12.628 1.00 0.00 O ATOM 613 C2' DA 2 8 -7.107 -4.130 12.196 1.00 0.00 C ATOM 614 C1' DA 2 8 -6.507 -3.203 13.246 1.00 0.00 C ATOM 615 N9 DA 2 8 -5.043 -3.078 13.120 1.00 0.00 N ATOM 616 C8 DA 2 8 -4.103 -4.073 13.000 1.00 0.00 C ATOM 617 N7 DA 2 8 -2.872 -3.651 12.962 1.00 0.00 N ATOM 618 C5 DA 2 8 -3.001 -2.277 13.096 1.00 0.00 C ATOM 619 C6 DA 2 8 -2.062 -1.222 13.159 1.00 0.00 C ATOM 620 N6 DA 2 8 -0.743 -1.402 13.088 1.00 0.00 N ATOM 621 N1 DA 2 8 -2.514 0.035 13.337 1.00 0.00 N ATOM 622 C2 DA 2 8 -3.821 0.257 13.456 1.00 0.00 C ATOM 623 N3 DA 2 8 -4.811 -0.642 13.400 1.00 0.00 N ATOM 624 C4 DA 2 8 -4.327 -1.912 13.209 1.00 0.00 C ATOM 0 H5' DA 2 8 -7.627 -5.781 16.006 1.00 0.00 H new ATOM 0 H5'' DA 2 8 -9.010 -6.269 15.047 1.00 0.00 H new ATOM 0 H4' DA 2 8 -8.837 -3.911 14.898 1.00 0.00 H new ATOM 0 H3' DA 2 8 -8.814 -5.451 12.493 1.00 0.00 H new ATOM 0 H2' DA 2 8 -6.480 -5.002 12.008 1.00 0.00 H new ATOM 0 H2'' DA 2 8 -7.253 -3.630 11.239 1.00 0.00 H new ATOM 0 H1' DA 2 8 -6.912 -2.196 13.142 1.00 0.00 H new ATOM 0 H8 DA 2 8 -4.364 -5.119 12.942 1.00 0.00 H new ATOM 0 H61 DA 2 8 -0.115 -0.600 13.139 1.00 0.00 H new ATOM 0 H62 DA 2 8 -0.362 -2.342 12.982 1.00 0.00 H new ATOM 0 H2 DA 2 8 -4.117 1.283 13.617 1.00 0.00 H new ATOM 636 P DT 2 9 -10.073 -3.262 11.161 1.00 0.00 P ATOM 637 OP1 DT 2 9 -11.534 -3.073 11.301 1.00 0.00 O ATOM 638 OP2 DT 2 9 -9.546 -4.259 10.202 1.00 0.00 O ATOM 639 O5' DT 2 9 -9.401 -1.831 10.837 1.00 0.00 O ATOM 640 C5' DT 2 9 -9.723 -0.683 11.606 1.00 0.00 C ATOM 641 C4' DT 2 9 -8.940 0.540 11.127 1.00 0.00 C ATOM 642 O4' DT 2 9 -7.555 0.305 11.307 1.00 0.00 O ATOM 643 C3' DT 2 9 -9.184 0.851 9.638 1.00 0.00 C ATOM 644 O3' DT 2 9 -9.415 2.244 9.482 1.00 0.00 O ATOM 645 C2' DT 2 9 -7.874 0.399 8.998 1.00 0.00 C ATOM 646 C1' DT 2 9 -6.895 0.712 10.131 1.00 0.00 C ATOM 647 N1 DT 2 9 -5.589 0.009 10.022 1.00 0.00 N ATOM 648 C2 DT 2 9 -4.425 0.748 10.260 1.00 0.00 C ATOM 649 O2 DT 2 9 -4.427 1.953 10.502 1.00 0.00 O ATOM 650 N3 DT 2 9 -3.233 0.033 10.219 1.00 0.00 N ATOM 651 C4 DT 2 9 -3.096 -1.328 9.952 1.00 0.00 C ATOM 652 O4 DT 2 9 -1.984 -1.843 9.914 1.00 0.00 O ATOM 653 C5 DT 2 9 -4.352 -2.032 9.747 1.00 0.00 C ATOM 654 C7 DT 2 9 -4.336 -3.524 9.451 1.00 0.00 C ATOM 655 C6 DT 2 9 -5.531 -1.355 9.795 1.00 0.00 C ATOM 0 H5' DT 2 9 -9.501 -0.872 12.656 1.00 0.00 H new ATOM 0 H5'' DT 2 9 -10.792 -0.484 11.537 1.00 0.00 H new ATOM 0 H4' DT 2 9 -9.283 1.392 11.714 1.00 0.00 H new ATOM 0 H3' DT 2 9 -10.051 0.361 9.194 1.00 0.00 H new ATOM 0 H2' DT 2 9 -7.883 -0.659 8.737 1.00 0.00 H new ATOM 0 H2'' DT 2 9 -7.645 0.951 8.086 1.00 0.00 H new ATOM 0 H1' DT 2 9 -6.642 1.772 10.108 1.00 0.00 H new ATOM 0 H3 DT 2 9 -2.376 0.555 10.402 1.00 0.00 H new ATOM 0 H71 DT 2 9 -5.247 -3.981 9.837 1.00 0.00 H new ATOM 0 H72 DT 2 9 -4.280 -3.681 8.374 1.00 0.00 H new ATOM 0 H73 DT 2 9 -3.470 -3.981 9.929 1.00 0.00 H new ATOM 0 H6 DT 2 9 -6.452 -1.900 9.651 1.00 0.00 H new ATOM 668 P DG 2 10 -9.636 2.941 8.039 1.00 0.00 P ATOM 669 OP1 DG 2 10 -10.531 4.104 8.225 1.00 0.00 O ATOM 670 OP2 DG 2 10 -9.985 1.895 7.050 1.00 0.00 O ATOM 671 O5' DG 2 10 -8.152 3.486 7.699 1.00 0.00 O ATOM 672 C5' DG 2 10 -7.605 4.603 8.381 1.00 0.00 C ATOM 673 C4' DG 2 10 -6.214 4.960 7.854 1.00 0.00 C ATOM 674 O4' DG 2 10 -5.276 3.963 8.203 1.00 0.00 O ATOM 675 C3' DG 2 10 -6.155 5.132 6.322 1.00 0.00 C ATOM 676 O3' DG 2 10 -5.708 6.451 6.029 1.00 0.00 O ATOM 677 C2' DG 2 10 -5.175 4.047 5.897 1.00 0.00 C ATOM 678 C1' DG 2 10 -4.335 3.917 7.157 1.00 0.00 C ATOM 679 N9 DG 2 10 -3.624 2.633 7.194 1.00 0.00 N ATOM 680 C8 DG 2 10 -4.114 1.376 6.965 1.00 0.00 C ATOM 681 N7 DG 2 10 -3.228 0.428 7.074 1.00 0.00 N ATOM 682 C5 DG 2 10 -2.057 1.113 7.377 1.00 0.00 C ATOM 683 C6 DG 2 10 -0.721 0.631 7.535 1.00 0.00 C ATOM 684 O6 DG 2 10 -0.357 -0.539 7.536 1.00 0.00 O ATOM 685 N1 DG 2 10 0.219 1.665 7.678 1.00 0.00 N ATOM 686 C2 DG 2 10 -0.108 3.019 7.704 1.00 0.00 C ATOM 687 N2 DG 2 10 0.881 3.912 7.798 1.00 0.00 N ATOM 688 N3 DG 2 10 -1.371 3.464 7.590 1.00 0.00 N ATOM 689 C4 DG 2 10 -2.289 2.470 7.420 1.00 0.00 C ATOM 0 H5' DG 2 10 -7.546 4.385 9.447 1.00 0.00 H new ATOM 0 H5'' DG 2 10 -8.269 5.460 8.267 1.00 0.00 H new ATOM 0 H4' DG 2 10 -5.975 5.917 8.318 1.00 0.00 H new ATOM 0 H3' DG 2 10 -7.105 5.026 5.797 1.00 0.00 H new ATOM 0 H2' DG 2 10 -5.677 3.115 5.636 1.00 0.00 H new ATOM 0 H2'' DG 2 10 -4.581 4.342 5.032 1.00 0.00 H new ATOM 0 H1' DG 2 10 -3.576 4.696 7.220 1.00 0.00 H new ATOM 0 H8 DG 2 10 -5.147 1.186 6.715 1.00 0.00 H new ATOM 0 H1 DG 2 10 1.202 1.409 7.768 1.00 0.00 H new ATOM 0 H21 DG 2 10 0.667 4.909 7.819 1.00 0.00 H new ATOM 0 H22 DG 2 10 1.850 3.597 7.849 1.00 0.00 H new ATOM 701 P DC 2 11 -5.373 6.982 4.536 1.00 0.00 P ATOM 702 OP1 DC 2 11 -5.802 8.396 4.449 1.00 0.00 O ATOM 703 OP2 DC 2 11 -5.878 6.001 3.549 1.00 0.00 O ATOM 704 O5' DC 2 11 -3.754 6.945 4.514 1.00 0.00 O ATOM 705 C5' DC 2 11 -2.985 7.784 5.362 1.00 0.00 C ATOM 706 C4' DC 2 11 -1.479 7.625 5.126 1.00 0.00 C ATOM 707 O4' DC 2 11 -1.092 6.302 5.445 1.00 0.00 O ATOM 708 C3' DC 2 11 -1.065 7.908 3.670 1.00 0.00 C ATOM 709 O3' DC 2 11 0.147 8.648 3.665 1.00 0.00 O ATOM 710 C2' DC 2 11 -0.894 6.504 3.098 1.00 0.00 C ATOM 711 C1' DC 2 11 -0.403 5.759 4.339 1.00 0.00 C ATOM 712 N1 DC 2 11 -0.652 4.303 4.266 1.00 0.00 N ATOM 713 C2 DC 2 11 0.403 3.401 4.436 1.00 0.00 C ATOM 714 O2 DC 2 11 1.551 3.796 4.604 1.00 0.00 O ATOM 715 N3 DC 2 11 0.110 2.066 4.428 1.00 0.00 N ATOM 716 C4 DC 2 11 -1.150 1.617 4.273 1.00 0.00 C ATOM 717 N4 DC 2 11 -1.377 0.312 4.429 1.00 0.00 N ATOM 718 C5 DC 2 11 -2.251 2.533 4.115 1.00 0.00 C ATOM 719 C6 DC 2 11 -1.940 3.853 4.127 1.00 0.00 C ATOM 0 H5' DC 2 11 -3.214 7.553 6.402 1.00 0.00 H new ATOM 0 H5'' DC 2 11 -3.269 8.823 5.196 1.00 0.00 H new ATOM 0 H4' DC 2 11 -0.982 8.356 5.765 1.00 0.00 H new ATOM 0 H3' DC 2 11 -1.774 8.501 3.093 1.00 0.00 H new ATOM 0 H2' DC 2 11 -1.828 6.097 2.712 1.00 0.00 H new ATOM 0 H2'' DC 2 11 -0.172 6.473 2.282 1.00 0.00 H new ATOM 0 H1' DC 2 11 0.676 5.883 4.425 1.00 0.00 H new ATOM 0 H41 DC 2 11 -2.321 -0.058 4.318 1.00 0.00 H new ATOM 0 H42 DC 2 11 -0.607 -0.316 4.659 1.00 0.00 H new ATOM 0 H5 DC 2 11 -3.267 2.188 3.994 1.00 0.00 H new ATOM 0 H6 DC 2 11 -2.736 4.576 4.023 1.00 0.00 H new ATOM 731 P DG 2 12 0.882 9.112 2.301 1.00 0.00 P ATOM 732 OP1 DG 2 12 1.658 10.338 2.591 1.00 0.00 O ATOM 733 OP2 DG 2 12 -0.109 9.112 1.201 1.00 0.00 O ATOM 734 O5' DG 2 12 1.919 7.903 2.043 1.00 0.00 O ATOM 735 C5' DG 2 12 3.063 7.728 2.859 1.00 0.00 C ATOM 736 C4' DG 2 12 3.907 6.552 2.366 1.00 0.00 C ATOM 737 O4' DG 2 12 3.224 5.335 2.569 1.00 0.00 O ATOM 738 C3' DG 2 12 4.257 6.630 0.868 1.00 0.00 C ATOM 739 O3' DG 2 12 5.659 6.466 0.736 1.00 0.00 O ATOM 740 C2' DG 2 12 3.509 5.447 0.253 1.00 0.00 C ATOM 741 C1' DG 2 12 3.490 4.513 1.455 1.00 0.00 C ATOM 742 N9 DG 2 12 2.415 3.517 1.352 1.00 0.00 N ATOM 743 C8 DG 2 12 1.068 3.728 1.231 1.00 0.00 C ATOM 744 N7 DG 2 12 0.352 2.640 1.276 1.00 0.00 N ATOM 745 C5 DG 2 12 1.300 1.632 1.423 1.00 0.00 C ATOM 746 C6 DG 2 12 1.139 0.214 1.536 1.00 0.00 C ATOM 747 O6 DG 2 12 0.087 -0.416 1.562 1.00 0.00 O ATOM 748 N1 DG 2 12 2.363 -0.467 1.618 1.00 0.00 N ATOM 749 C2 DG 2 12 3.609 0.154 1.606 1.00 0.00 C ATOM 750 N2 DG 2 12 4.696 -0.618 1.718 1.00 0.00 N ATOM 751 N3 DG 2 12 3.754 1.490 1.525 1.00 0.00 N ATOM 752 C4 DG 2 12 2.571 2.164 1.436 1.00 0.00 C ATOM 0 H5' DG 2 12 2.756 7.554 3.890 1.00 0.00 H new ATOM 0 H5'' DG 2 12 3.662 8.639 2.854 1.00 0.00 H new ATOM 0 H4' DG 2 12 4.830 6.601 2.944 1.00 0.00 H new ATOM 0 H3' DG 2 12 3.984 7.571 0.390 1.00 0.00 H new ATOM 0 H2' DG 2 12 2.508 5.714 -0.086 1.00 0.00 H new ATOM 0 H2'' DG 2 12 4.032 5.019 -0.602 1.00 0.00 H new ATOM 0 HO3' DG 2 12 5.906 6.510 -0.211 1.00 0.00 H new ATOM 0 H1' DG 2 12 4.434 3.974 1.527 1.00 0.00 H new ATOM 0 H8 DG 2 12 0.636 4.710 1.109 1.00 0.00 H new ATOM 0 H1 DG 2 12 2.338 -1.484 1.691 1.00 0.00 H new ATOM 0 H21 DG 2 12 5.624 -0.195 1.713 1.00 0.00 H new ATOM 0 H22 DG 2 12 4.596 -1.629 1.809 1.00 0.00 H new TER 765 DG 2 12 CONECT 132 156 CONECT 156 132 157 158 159 CONECT 157 156 CONECT 158 156 CONECT 159 156 160 CONECT 160 159 161 176 177 CONECT 161 160 162 163 178 CONECT 162 161 166 CONECT 163 161 164 165 179 CONECT 164 163 188 CONECT 165 163 166 180 181 CONECT 166 162 165 175 182 CONECT 167 173 174 175 CONECT 168 169 172 173 CONECT 169 168 170 171 CONECT 170 169 183 184 185 CONECT 171 169 175 186 CONECT 172 168 CONECT 173 167 168 187 CONECT 174 167 CONECT 175 166 167 171 CONECT 176 160 CONECT 177 160 CONECT 178 161 CONECT 179 163 CONECT 180 165 CONECT 181 165 CONECT 182 166 CONECT 183 170 CONECT 184 170 CONECT 185 170 CONECT 186 171 CONECT 187 173 CONECT 188 164 CONECT 547 569 CONECT 569 547 570 571 572 CONECT 570 569 CONECT 571 569 CONECT 572 569 578 CONECT 573 576 604 CONECT 574 575 579 585 590 CONECT 575 574 576 591 592 CONECT 576 573 575 577 593 CONECT 577 576 578 579 594 CONECT 578 572 577 595 596 CONECT 579 574 577 CONECT 580 581 597 598 599 CONECT 581 580 582 589 CONECT 582 581 583 586 CONECT 583 582 584 CONECT 584 583 585 600 CONECT 585 574 584 586 CONECT 586 582 585 587 CONECT 587 586 588 601 CONECT 588 587 589 602 CONECT 589 581 588 603 CONECT 590 574 CONECT 591 575 CONECT 592 575 CONECT 593 576 CONECT 594 577 CONECT 595 578 CONECT 596 578 CONECT 597 580 CONECT 598 580 CONECT 599 580 CONECT 600 584 CONECT 601 587 CONECT 602 588 CONECT 603 589 CONECT 604 573 END