USER MOD reduce.3.24.130724 H: found=0, std=0, add=205, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 205 hydrogens (0 hets) HEADER DNA 31-AUG-07 2VAI TITLE SOLUTION STRUCTURE OF A B-DNA HAIRPIN AT HIGH PRESSURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*AP*GP*GP*AP*TP*CP*CP*TP*UP*TP COMPND 3 *TP*GP*GP*AP*TP*CP*CP*T)-3'; COMPND 4 CHAIN: A; COMPND 5 SYNONYM: U2 DNA HAIRPIN SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS DNA, B-DNA HAIRPIN, PRESSURE, NMR EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR M.P.WILLIAMSON,D.J.WILTON,M.GHOSH,K.V.A.CHARY,K.AKASAKA REVDAT 2 24-FEB-09 2VAI 1 VERSN REVDAT 1 11-SEP-07 2VAI 0 JRNL AUTH M.P.WILLIAMSON,D.J.WILTON,M.GHOSH,K.V.A.CHARY, JRNL AUTH 2 K.AKASAKA JRNL TITL STRUCTURAL CHANGE IN A B-DNA HELIX WITH JRNL TITL 2 HYDROSTATIC PRESSURE JRNL REF NUCLEIC ACIDS RES. V. 36 4032 2008 JRNL REFN ISSN 0305-1048 JRNL PMID 18515837 JRNL DOI 10.1093/NAR/GKN350 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. THIS STRUCTURE IS FOR COMPARISON WITH REMARK 3 THE ACCOMPANYING LOW PRESSURE STRUCTURE PDB ENTRY 2VAH. REMARK 4 REMARK 4 2VAI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 31-AUG-07. REMARK 100 THE PDBE ID CODE IS EBI-33586. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 305.0 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 50 MM REMARK 210 PRESSURE : 2000.0 BAR REMARK 210 SAMPLE CONTENTS : 90% WATER 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 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: THE STRUCTURE WAS DETERMINED BY REFINING AN REMARK 210 EXISTING STRUCTURE WITH RESPECT TO HIGH PRESSURE PROTON REMARK 210 SHIFT RESTRAINTS 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 IN SAME ASYMMETRIC UNIT 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 H21 DG A 2 - O2 DC A 17 1.49 REMARK 500 H62 DA A 4 - O4 DT A 15 1.51 REMARK 500 O2 DC A 7 - H21 DG A 12 1.55 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 DT A 5 C5 DT A 5 C7 0.040 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 DA A 1 N7 - C8 - N9 ANGL. DEV. = 3.5 DEGREES REMARK 500 DA A 1 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG A 2 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG A 3 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DG A 3 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG A 3 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 DA A 4 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DT A 5 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES REMARK 500 DC A 6 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 DC A 7 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 DT A 8 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DU A 9 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DT A 10 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DT A 11 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG A 12 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DG A 12 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 12 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG A 13 C8 - N9 - C4 ANGL. DEV. = -3.1 DEGREES REMARK 500 DG A 13 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 13 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA A 14 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DA A 14 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DT A 15 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DC A 16 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DC A 17 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DT A 18 O4' - C1' - N1 ANGL. DEV. = 1.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1DGO RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF A URACIL CONTAINING REMARK 900 HAIRPIN DNA REMARK 900 RELATED ID: 2VAH RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF A B-DNA HAIRPIN AT REMARK 900 LOW PRESSURE. DBREF 2VAI A 1 18 PDB 2VAI 2VAI 1 18 SEQRES 1 A 18 DA DG DG DA DT DC DC DT DU DT DT DG DG SEQRES 2 A 18 DA DT DC DC DT 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 DA O5' : rot 47:sc= 1.07 USER MOD Single : A 5 DT C7 :methyl -30:sc= -1.96 (180deg=-3.09!) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.21 (180deg=-0.21) USER MOD Single : A 10 DT C7 :methyl 150:sc= -3.09! (180deg=-3.09!) USER MOD Single : A 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DT C7 :methyl -30:sc= -2.09! (180deg=-3!) USER MOD Single : A 18 DT C7 :methyl -30:sc= -3.09! (180deg=-3.8!) USER MOD Single : A 18 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -0.032 -6.966 2.198 1.00 0.00 O ATOM 2 C5' DA A 1 0.771 -8.143 2.187 1.00 0.00 C ATOM 3 C4' DA A 1 2.125 -7.887 1.522 1.00 0.00 C ATOM 4 O4' DA A 1 1.911 -7.180 0.278 1.00 0.00 O ATOM 5 C3' DA A 1 3.017 -6.996 2.367 1.00 0.00 C ATOM 6 O3' DA A 1 4.408 -7.278 2.143 1.00 0.00 O ATOM 7 C2' DA A 1 2.663 -5.618 1.913 1.00 0.00 C ATOM 8 C1' DA A 1 2.279 -5.784 0.453 1.00 0.00 C ATOM 9 N9 DA A 1 1.153 -4.895 0.141 1.00 0.00 N ATOM 10 C8 DA A 1 -0.130 -5.191 -0.179 1.00 0.00 C ATOM 11 N7 DA A 1 -0.932 -4.203 -0.379 1.00 0.00 N ATOM 12 C5 DA A 1 -0.083 -3.110 -0.166 1.00 0.00 C ATOM 13 C6 DA A 1 -0.287 -1.724 -0.219 1.00 0.00 C ATOM 14 N6 DA A 1 -1.461 -1.167 -0.517 1.00 0.00 N ATOM 15 N1 DA A 1 0.768 -0.930 0.041 1.00 0.00 N ATOM 16 C2 DA A 1 1.954 -1.461 0.336 1.00 0.00 C ATOM 17 N3 DA A 1 2.256 -2.752 0.415 1.00 0.00 N ATOM 18 C4 DA A 1 1.183 -3.526 0.149 1.00 0.00 C ATOM 0 H5' DA A 1 0.247 -8.938 1.656 1.00 0.00 H new ATOM 0 H5'' DA A 1 0.925 -8.490 3.209 1.00 0.00 H new ATOM 0 H4' DA A 1 2.601 -8.858 1.381 1.00 0.00 H new ATOM 0 H3' DA A 1 2.866 -7.143 3.437 1.00 0.00 H new ATOM 0 H2' DA A 1 1.838 -5.208 2.496 1.00 0.00 H new ATOM 0 H2'' DA A 1 3.504 -4.934 2.027 1.00 0.00 H new ATOM 0 HO5' DA A 1 -0.021 -6.554 1.309 1.00 0.00 H new ATOM 0 H1' DA A 1 3.098 -5.522 -0.218 1.00 0.00 H new ATOM 0 H8 DA A 1 -0.467 -6.214 -0.263 1.00 0.00 H new ATOM 0 H61 DA A 1 -1.552 -0.151 -0.541 1.00 0.00 H new ATOM 0 H62 DA A 1 -2.268 -1.757 -0.721 1.00 0.00 H new ATOM 0 H2 DA A 1 2.757 -0.766 0.532 1.00 0.00 H new ATOM 31 P DG A 2 5.496 -7.061 3.312 1.00 0.00 P ATOM 32 OP1 DG A 2 6.802 -7.555 2.821 1.00 0.00 O ATOM 33 OP2 DG A 2 4.930 -7.601 4.569 1.00 0.00 O ATOM 34 O5' DG A 2 5.575 -5.449 3.437 1.00 0.00 O ATOM 35 C5' DG A 2 6.229 -4.653 2.430 1.00 0.00 C ATOM 36 C4' DG A 2 6.832 -3.352 2.994 1.00 0.00 C ATOM 37 O4' DG A 2 5.957 -2.229 2.686 1.00 0.00 O ATOM 38 C3' DG A 2 6.936 -3.389 4.508 1.00 0.00 C ATOM 39 O3' DG A 2 8.028 -2.586 4.962 1.00 0.00 O ATOM 40 C2' DG A 2 5.624 -2.832 4.961 1.00 0.00 C ATOM 41 C1' DG A 2 5.261 -1.808 3.895 1.00 0.00 C ATOM 42 N9 DG A 2 3.797 -1.750 3.689 1.00 0.00 N ATOM 43 C8 DG A 2 2.920 -2.768 3.536 1.00 0.00 C ATOM 44 N7 DG A 2 1.676 -2.468 3.364 1.00 0.00 N ATOM 45 C5 DG A 2 1.707 -1.071 3.404 1.00 0.00 C ATOM 46 C6 DG A 2 0.645 -0.133 3.279 1.00 0.00 C ATOM 47 O6 DG A 2 -0.556 -0.347 3.093 1.00 0.00 O ATOM 48 N1 DG A 2 1.109 1.168 3.385 1.00 0.00 N ATOM 49 C2 DG A 2 2.422 1.538 3.585 1.00 0.00 C ATOM 50 N2 DG A 2 2.653 2.847 3.655 1.00 0.00 N ATOM 51 N3 DG A 2 3.430 0.666 3.702 1.00 0.00 N ATOM 52 C4 DG A 2 3.006 -0.618 3.604 1.00 0.00 C ATOM 0 H5' DG A 2 5.512 -4.406 1.647 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.019 -5.242 1.965 1.00 0.00 H new ATOM 0 H4' DG A 2 7.820 -3.248 2.545 1.00 0.00 H new ATOM 0 H3' DG A 2 7.126 -4.388 4.901 1.00 0.00 H new ATOM 0 H2' DG A 2 4.866 -3.612 5.038 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.707 -2.370 5.945 1.00 0.00 H new ATOM 0 H1' DG A 2 5.559 -0.801 4.188 1.00 0.00 H new ATOM 0 H8 DG A 2 3.249 -3.797 3.557 1.00 0.00 H new ATOM 0 H1 DG A 2 0.420 1.916 3.309 1.00 0.00 H new ATOM 0 H21 DG A 2 3.602 3.190 3.802 1.00 0.00 H new ATOM 0 H22 DG A 2 1.881 3.507 3.562 1.00 0.00 H new ATOM 64 P DG A 3 8.268 -2.337 6.531 1.00 0.00 P ATOM 65 OP1 DG A 3 9.690 -2.619 6.824 1.00 0.00 O ATOM 66 OP2 DG A 3 7.213 -3.044 7.291 1.00 0.00 O ATOM 67 O5' DG A 3 8.017 -0.754 6.675 1.00 0.00 O ATOM 68 C5' DG A 3 9.030 0.188 6.297 1.00 0.00 C ATOM 69 C4' DG A 3 8.613 1.628 6.593 1.00 0.00 C ATOM 70 O4' DG A 3 7.250 1.840 6.135 1.00 0.00 O ATOM 71 C3' DG A 3 8.601 1.887 8.090 1.00 0.00 C ATOM 72 O3' DG A 3 8.875 3.265 8.398 1.00 0.00 O ATOM 73 C2' DG A 3 7.218 1.517 8.478 1.00 0.00 C ATOM 74 C1' DG A 3 6.368 1.893 7.284 1.00 0.00 C ATOM 75 N9 DG A 3 5.198 0.982 7.147 1.00 0.00 N ATOM 76 C8 DG A 3 5.142 -0.376 7.119 1.00 0.00 C ATOM 77 N7 DG A 3 3.971 -0.932 7.016 1.00 0.00 N ATOM 78 C5 DG A 3 3.124 0.192 6.973 1.00 0.00 C ATOM 79 C6 DG A 3 1.695 0.289 6.856 1.00 0.00 C ATOM 80 O6 DG A 3 0.860 -0.614 6.762 1.00 0.00 O ATOM 81 N1 DG A 3 1.286 1.623 6.850 1.00 0.00 N ATOM 82 C2 DG A 3 2.115 2.724 6.938 1.00 0.00 C ATOM 83 N2 DG A 3 1.525 3.923 6.923 1.00 0.00 N ATOM 84 N3 DG A 3 3.439 2.643 7.044 1.00 0.00 N ATOM 85 C4 DG A 3 3.880 1.364 7.055 1.00 0.00 C ATOM 0 H5' DG A 3 9.243 0.084 5.233 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.953 -0.039 6.830 1.00 0.00 H new ATOM 0 H4' DG A 3 9.321 2.287 6.091 1.00 0.00 H new ATOM 0 H3' DG A 3 9.368 1.325 8.623 1.00 0.00 H new ATOM 0 H2' DG A 3 7.141 0.452 8.699 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.902 2.052 9.373 1.00 0.00 H new ATOM 0 H1' DG A 3 5.940 2.890 7.390 1.00 0.00 H new ATOM 0 H8 DG A 3 6.040 -0.973 7.180 1.00 0.00 H new ATOM 0 H1 DG A 3 0.285 1.801 6.774 1.00 0.00 H new ATOM 0 H21 DG A 3 2.090 4.770 6.985 1.00 0.00 H new ATOM 0 H22 DG A 3 0.510 3.991 6.849 1.00 0.00 H new ATOM 97 P DA A 4 8.875 3.780 9.927 1.00 0.00 P ATOM 98 OP1 DA A 4 9.890 4.847 10.053 1.00 0.00 O ATOM 99 OP2 DA A 4 8.943 2.593 10.808 1.00 0.00 O ATOM 100 O5' DA A 4 7.412 4.445 10.106 1.00 0.00 O ATOM 101 C5' DA A 4 6.936 5.445 9.201 1.00 0.00 C ATOM 102 C4' DA A 4 5.765 6.254 9.774 1.00 0.00 C ATOM 103 O4' DA A 4 4.523 5.554 9.507 1.00 0.00 O ATOM 104 C3' DA A 4 5.846 6.392 11.288 1.00 0.00 C ATOM 105 O3' DA A 4 5.251 7.619 11.723 1.00 0.00 O ATOM 106 C2' DA A 4 5.084 5.209 11.797 1.00 0.00 C ATOM 107 C1' DA A 4 4.023 4.965 10.741 1.00 0.00 C ATOM 108 N9 DA A 4 3.754 3.529 10.593 1.00 0.00 N ATOM 109 C8 DA A 4 4.610 2.472 10.565 1.00 0.00 C ATOM 110 N7 DA A 4 4.102 1.294 10.418 1.00 0.00 N ATOM 111 C5 DA A 4 2.738 1.592 10.338 1.00 0.00 C ATOM 112 C6 DA A 4 1.610 0.801 10.189 1.00 0.00 C ATOM 113 N6 DA A 4 1.685 -0.510 10.078 1.00 0.00 N ATOM 114 N1 DA A 4 0.405 1.412 10.157 1.00 0.00 N ATOM 115 C2 DA A 4 0.327 2.741 10.272 1.00 0.00 C ATOM 116 N3 DA A 4 1.338 3.591 10.420 1.00 0.00 N ATOM 117 C4 DA A 4 2.523 2.948 10.446 1.00 0.00 C ATOM 0 H5' DA A 4 6.623 4.969 8.272 1.00 0.00 H new ATOM 0 H5'' DA A 4 7.753 6.122 8.952 1.00 0.00 H new ATOM 0 H4' DA A 4 5.808 7.238 9.306 1.00 0.00 H new ATOM 0 H3' DA A 4 6.872 6.417 11.656 1.00 0.00 H new ATOM 0 H2' DA A 4 5.732 4.341 11.918 1.00 0.00 H new ATOM 0 H2'' DA A 4 4.637 5.412 12.770 1.00 0.00 H new ATOM 0 H1' DA A 4 3.073 5.421 11.020 1.00 0.00 H new ATOM 0 H8 DA A 4 5.676 2.613 10.662 1.00 0.00 H new ATOM 0 H61 DA A 4 0.834 -1.062 9.970 1.00 0.00 H new ATOM 0 H62 DA A 4 2.594 -0.973 10.101 1.00 0.00 H new ATOM 0 H2 DA A 4 -0.664 3.170 10.241 1.00 0.00 H new ATOM 129 P DT A 5 5.018 7.914 13.288 1.00 0.00 P ATOM 130 OP1 DT A 5 5.287 9.348 13.527 1.00 0.00 O ATOM 131 OP2 DT A 5 5.748 6.886 14.072 1.00 0.00 O ATOM 132 O5' DT A 5 3.434 7.653 13.468 1.00 0.00 O ATOM 133 C5' DT A 5 2.500 8.019 12.443 1.00 0.00 C ATOM 134 C4' DT A 5 1.047 8.010 12.936 1.00 0.00 C ATOM 135 O4' DT A 5 0.473 6.708 12.645 1.00 0.00 O ATOM 136 C3' DT A 5 0.951 8.194 14.449 1.00 0.00 C ATOM 137 O3' DT A 5 -0.293 8.827 14.818 1.00 0.00 O ATOM 138 C2' DT A 5 1.022 6.787 14.960 1.00 0.00 C ATOM 139 C1' DT A 5 0.344 5.959 13.874 1.00 0.00 C ATOM 140 N1 DT A 5 0.919 4.593 13.791 1.00 0.00 N ATOM 141 C2 DT A 5 0.017 3.549 13.653 1.00 0.00 C ATOM 142 O2 DT A 5 -1.189 3.738 13.550 1.00 0.00 O ATOM 143 N3 DT A 5 0.551 2.275 13.639 1.00 0.00 N ATOM 144 C4 DT A 5 1.894 1.951 13.747 1.00 0.00 C ATOM 145 C5 DT A 5 2.773 3.095 13.892 1.00 0.00 C ATOM 146 C6 DT A 5 2.270 4.357 13.905 1.00 0.00 C ATOM 147 O4 DT A 5 2.254 0.778 13.707 1.00 0.00 O ATOM 160 C7 DT A 5 4.282 2.864 14.060 1.00 0.00 C ATOM 0 H5' DT A 5 2.599 7.330 11.604 1.00 0.00 H new ATOM 0 H5'' DT A 5 2.747 9.013 12.070 1.00 0.00 H new ATOM 0 H4' DT A 5 0.527 8.828 12.438 1.00 0.00 H new ATOM 0 H3' DT A 5 1.730 8.838 14.858 1.00 0.00 H new ATOM 0 H2' DT A 5 2.054 6.471 15.115 1.00 0.00 H new ATOM 0 H2'' DT A 5 0.510 6.685 15.917 1.00 0.00 H new ATOM 0 H1' DT A 5 -0.711 5.797 14.096 1.00 0.00 H new ATOM 0 H3 DT A 5 -0.105 1.500 13.540 1.00 0.00 H new ATOM 0 H71 DT A 5 4.451 1.911 14.562 1.00 0.00 H new ATOM 0 H72 DT A 5 4.759 2.847 13.080 1.00 0.00 H new ATOM 0 H73 DT A 5 4.709 3.670 14.657 1.00 0.00 H new ATOM 0 H6 DT A 5 2.945 5.194 14.007 1.00 0.00 H new ATOM 161 P DC A 6 -0.846 8.799 16.339 1.00 0.00 P ATOM 162 OP1 DC A 6 -1.576 10.061 16.594 1.00 0.00 O ATOM 163 OP2 DC A 6 0.267 8.406 17.230 1.00 0.00 O ATOM 164 O5' DC A 6 -1.920 7.602 16.309 1.00 0.00 O ATOM 165 C5' DC A 6 -3.151 7.755 15.598 1.00 0.00 C ATOM 166 C4' DC A 6 -4.154 6.644 15.913 1.00 0.00 C ATOM 167 O4' DC A 6 -3.562 5.352 15.597 1.00 0.00 O ATOM 168 C3' DC A 6 -4.476 6.602 17.400 1.00 0.00 C ATOM 169 O3' DC A 6 -5.816 6.135 17.627 1.00 0.00 O ATOM 170 C2' DC A 6 -3.457 5.649 17.959 1.00 0.00 C ATOM 171 C1' DC A 6 -3.238 4.654 16.831 1.00 0.00 C ATOM 172 N1 DC A 6 -1.870 4.076 16.831 1.00 0.00 N ATOM 173 C2 DC A 6 -1.783 2.693 16.737 1.00 0.00 C ATOM 174 O2 DC A 6 -2.809 2.019 16.651 1.00 0.00 O ATOM 175 N3 DC A 6 -0.549 2.112 16.742 1.00 0.00 N ATOM 176 C4 DC A 6 0.560 2.859 16.831 1.00 0.00 C ATOM 177 N4 DC A 6 1.754 2.261 16.858 1.00 0.00 N ATOM 178 C5 DC A 6 0.478 4.283 16.925 1.00 0.00 C ATOM 179 C6 DC A 6 -0.754 4.849 16.923 1.00 0.00 C ATOM 0 H5' DC A 6 -2.949 7.764 14.527 1.00 0.00 H new ATOM 0 H5'' DC A 6 -3.593 8.720 15.847 1.00 0.00 H new ATOM 0 H4' DC A 6 -5.052 6.843 15.328 1.00 0.00 H new ATOM 0 H3' DC A 6 -4.431 7.584 17.871 1.00 0.00 H new ATOM 0 H2' DC A 6 -2.533 6.162 18.226 1.00 0.00 H new ATOM 0 H2'' DC A 6 -3.821 5.158 18.861 1.00 0.00 H new ATOM 0 H1' DC A 6 -3.884 3.785 16.955 1.00 0.00 H new ATOM 0 H41 DC A 6 2.604 2.821 16.926 1.00 0.00 H new ATOM 0 H42 DC A 6 1.816 1.244 16.811 1.00 0.00 H new ATOM 0 H5 DC A 6 1.369 4.889 16.995 1.00 0.00 H new ATOM 0 H6 DC A 6 -0.850 5.922 16.995 1.00 0.00 H new ATOM 191 P DC A 7 -6.296 5.665 19.092 1.00 0.00 P ATOM 192 OP1 DC A 7 -7.698 6.101 19.281 1.00 0.00 O ATOM 193 OP2 DC A 7 -5.262 6.074 20.069 1.00 0.00 O ATOM 194 O5' DC A 7 -6.285 4.056 18.975 1.00 0.00 O ATOM 195 C5' DC A 7 -6.715 3.411 17.767 1.00 0.00 C ATOM 196 C4' DC A 7 -6.808 1.884 17.891 1.00 0.00 C ATOM 197 O4' DC A 7 -5.475 1.302 17.774 1.00 0.00 O ATOM 198 C3' DC A 7 -7.332 1.466 19.255 1.00 0.00 C ATOM 199 O3' DC A 7 -8.065 0.232 19.167 1.00 0.00 O ATOM 200 C2' DC A 7 -6.081 1.321 20.070 1.00 0.00 C ATOM 201 C1' DC A 7 -5.035 0.831 19.079 1.00 0.00 C ATOM 202 N1 DC A 7 -3.673 1.310 19.443 1.00 0.00 N ATOM 203 C2 DC A 7 -2.674 0.349 19.538 1.00 0.00 C ATOM 204 O2 DC A 7 -2.934 -0.836 19.317 1.00 0.00 O ATOM 205 N3 DC A 7 -1.412 0.746 19.881 1.00 0.00 N ATOM 206 C4 DC A 7 -1.132 2.032 20.116 1.00 0.00 C ATOM 207 N4 DC A 7 0.118 2.378 20.455 1.00 0.00 N ATOM 208 C5 DC A 7 -2.157 3.032 20.019 1.00 0.00 C ATOM 209 C6 DC A 7 -3.410 2.628 19.686 1.00 0.00 C ATOM 0 H5' DC A 7 -6.022 3.661 16.964 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.690 3.805 17.481 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.480 1.541 17.104 1.00 0.00 H new ATOM 0 H3' DC A 7 -8.033 2.178 19.690 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.788 2.270 20.520 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.219 0.611 20.885 1.00 0.00 H new ATOM 0 H1' DC A 7 -4.951 -0.256 19.080 1.00 0.00 H new ATOM 0 H41 DC A 7 0.345 3.356 20.637 1.00 0.00 H new ATOM 0 H42 DC A 7 0.842 1.664 20.531 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.939 4.073 20.205 1.00 0.00 H new ATOM 0 H6 DC A 7 -4.205 3.355 19.613 1.00 0.00 H new ATOM 221 P DT A 8 -8.644 -0.522 20.471 1.00 0.00 P ATOM 222 OP1 DT A 8 -7.719 -1.628 20.803 1.00 0.00 O ATOM 223 OP2 DT A 8 -10.081 -0.800 20.234 1.00 0.00 O ATOM 224 O5' DT A 8 -8.538 0.588 21.643 1.00 0.00 O ATOM 225 C5' DT A 8 -8.284 0.205 23.009 1.00 0.00 C ATOM 226 C4' DT A 8 -6.810 -0.173 23.228 1.00 0.00 C ATOM 227 O4' DT A 8 -5.962 0.819 22.594 1.00 0.00 O ATOM 228 C3' DT A 8 -6.425 -0.163 24.700 1.00 0.00 C ATOM 229 O3' DT A 8 -5.353 -1.091 24.958 1.00 0.00 O ATOM 230 C2' DT A 8 -5.975 1.251 24.930 1.00 0.00 C ATOM 231 C1' DT A 8 -5.365 1.672 23.603 1.00 0.00 C ATOM 232 N1 DT A 8 -5.617 3.111 23.325 1.00 0.00 N ATOM 233 C2 DT A 8 -4.570 3.991 23.513 1.00 0.00 C ATOM 234 O2 DT A 8 -3.462 3.616 23.884 1.00 0.00 O ATOM 235 N3 DT A 8 -4.841 5.319 23.258 1.00 0.00 N ATOM 236 C4 DT A 8 -6.048 5.843 22.840 1.00 0.00 C ATOM 237 C5 DT A 8 -7.084 4.853 22.671 1.00 0.00 C ATOM 238 C6 DT A 8 -6.844 3.548 22.909 1.00 0.00 C ATOM 239 O4 DT A 8 -6.171 7.050 22.639 1.00 0.00 O ATOM 252 C7 DT A 8 -8.475 5.288 22.222 1.00 0.00 C ATOM 0 H5' DT A 8 -8.920 -0.640 23.274 1.00 0.00 H new ATOM 0 H5'' DT A 8 -8.552 1.027 23.673 1.00 0.00 H new ATOM 0 H4' DT A 8 -6.680 -1.173 22.814 1.00 0.00 H new ATOM 0 H3' DT A 8 -7.242 -0.464 25.356 1.00 0.00 H new ATOM 0 H2' DT A 8 -6.811 1.894 25.206 1.00 0.00 H new ATOM 0 H2'' DT A 8 -5.247 1.310 25.739 1.00 0.00 H new ATOM 0 H1' DT A 8 -4.281 1.559 23.614 1.00 0.00 H new ATOM 0 H3 DT A 8 -4.075 5.979 23.391 1.00 0.00 H new ATOM 0 H71 DT A 8 -8.942 4.484 21.653 1.00 0.00 H new ATOM 0 H72 DT A 8 -9.085 5.515 23.096 1.00 0.00 H new ATOM 0 H73 DT A 8 -8.394 6.176 21.595 1.00 0.00 H new ATOM 0 H6 DT A 8 -7.639 2.831 22.768 1.00 0.00 H new ATOM 253 P DU A 9 -4.714 -1.248 26.434 1.00 0.00 P ATOM 254 OP1 DU A 9 -4.846 -2.659 26.848 1.00 0.00 O ATOM 255 OP2 DU A 9 -5.254 -0.181 27.297 1.00 0.00 O ATOM 256 O5' DU A 9 -3.156 -0.951 26.190 1.00 0.00 O ATOM 257 C5' DU A 9 -2.187 -1.251 27.192 1.00 0.00 C ATOM 258 C4' DU A 9 -0.758 -1.055 26.686 1.00 0.00 C ATOM 259 O4' DU A 9 -0.692 0.163 25.905 1.00 0.00 O ATOM 260 C3' DU A 9 0.218 -0.875 27.836 1.00 0.00 C ATOM 261 O3' DU A 9 1.528 -1.359 27.495 1.00 0.00 O ATOM 262 C2' DU A 9 0.220 0.610 28.062 1.00 0.00 C ATOM 263 C1' DU A 9 -0.028 1.200 26.678 1.00 0.00 C ATOM 264 N1 DU A 9 -0.857 2.443 26.717 1.00 0.00 N ATOM 265 C2 DU A 9 -1.992 2.461 27.519 1.00 0.00 C ATOM 266 O2 DU A 9 -2.331 1.501 28.206 1.00 0.00 O ATOM 267 N3 DU A 9 -2.731 3.630 27.504 1.00 0.00 N ATOM 268 C4 DU A 9 -2.451 4.767 26.774 1.00 0.00 C ATOM 269 O4 DU A 9 -3.184 5.751 26.841 1.00 0.00 O ATOM 270 C5 DU A 9 -1.259 4.668 25.967 1.00 0.00 C ATOM 271 C6 DU A 9 -0.512 3.535 25.961 1.00 0.00 C ATOM 0 H5'' DU A 9 -2.354 -0.614 28.060 1.00 0.00 H new ATOM 0 H2'' DU A 9 -0.557 0.907 28.766 1.00 0.00 H new ATOM 0 H6 DU A 9 0.383 3.491 25.341 1.00 0.00 H new ATOM 0 H5' DU A 9 -2.316 -2.281 27.523 1.00 0.00 H new ATOM 0 H5 DU A 9 -0.954 5.516 25.353 1.00 0.00 H new ATOM 0 H4' DU A 9 -0.496 -1.938 26.103 1.00 0.00 H new ATOM 0 H3' DU A 9 -0.067 -1.437 28.725 1.00 0.00 H new ATOM 0 H3 DU A 9 -3.565 3.654 28.090 1.00 0.00 H new ATOM 0 H2' DU A 9 1.170 0.949 28.475 1.00 0.00 H new ATOM 0 H1' DU A 9 0.919 1.500 26.229 1.00 0.00 H new ATOM 282 P DT A 10 1.847 -2.942 27.450 1.00 0.00 P ATOM 283 OP1 DT A 10 0.580 -3.667 27.215 1.00 0.00 O ATOM 284 OP2 DT A 10 2.676 -3.285 28.627 1.00 0.00 O ATOM 285 O5' DT A 10 2.752 -3.092 26.130 1.00 0.00 O ATOM 286 C5' DT A 10 4.137 -2.733 26.134 1.00 0.00 C ATOM 287 C4' DT A 10 4.821 -3.145 24.833 1.00 0.00 C ATOM 288 O4' DT A 10 4.154 -2.501 23.717 1.00 0.00 O ATOM 289 C3' DT A 10 6.262 -2.660 24.800 1.00 0.00 C ATOM 290 O3' DT A 10 7.100 -3.522 24.012 1.00 0.00 O ATOM 291 C2' DT A 10 6.161 -1.301 24.177 1.00 0.00 C ATOM 292 C1' DT A 10 4.990 -1.422 23.209 1.00 0.00 C ATOM 293 N1 DT A 10 4.225 -0.153 23.084 1.00 0.00 N ATOM 294 C2 DT A 10 3.690 0.404 24.234 1.00 0.00 C ATOM 295 O2 DT A 10 3.832 -0.104 25.341 1.00 0.00 O ATOM 296 N3 DT A 10 2.985 1.579 24.069 1.00 0.00 N ATOM 297 C4 DT A 10 2.766 2.242 22.879 1.00 0.00 C ATOM 298 C5 DT A 10 3.354 1.595 21.730 1.00 0.00 C ATOM 299 C6 DT A 10 4.051 0.444 21.859 1.00 0.00 C ATOM 300 O4 DT A 10 2.122 3.290 22.856 1.00 0.00 O ATOM 313 C7 DT A 10 3.177 2.223 20.348 1.00 0.00 C ATOM 0 H5' DT A 10 4.636 -3.211 26.977 1.00 0.00 H new ATOM 0 H5'' DT A 10 4.235 -1.657 26.274 1.00 0.00 H new ATOM 0 H4' DT A 10 4.779 -4.232 24.768 1.00 0.00 H new ATOM 0 H3' DT A 10 6.716 -2.648 25.791 1.00 0.00 H new ATOM 0 H2' DT A 10 5.980 -0.531 24.927 1.00 0.00 H new ATOM 0 H2'' DT A 10 7.081 -1.031 23.658 1.00 0.00 H new ATOM 0 H1' DT A 10 5.348 -1.637 22.202 1.00 0.00 H new ATOM 0 H3 DT A 10 2.587 1.998 24.909 1.00 0.00 H new ATOM 0 H71 DT A 10 4.039 1.982 19.726 1.00 0.00 H new ATOM 0 H72 DT A 10 2.273 1.830 19.883 1.00 0.00 H new ATOM 0 H73 DT A 10 3.093 3.305 20.448 1.00 0.00 H new ATOM 0 H6 DT A 10 4.480 -0.016 20.981 1.00 0.00 H new ATOM 314 P DT A 11 7.268 -5.083 24.371 1.00 0.00 P ATOM 315 OP1 DT A 11 7.313 -5.218 25.846 1.00 0.00 O ATOM 316 OP2 DT A 11 8.362 -5.630 23.542 1.00 0.00 O ATOM 317 O5' DT A 11 5.882 -5.701 23.836 1.00 0.00 O ATOM 318 C5' DT A 11 5.299 -6.847 24.459 1.00 0.00 C ATOM 319 C4' DT A 11 5.679 -8.122 23.713 1.00 0.00 C ATOM 320 O4' DT A 11 5.382 -9.274 24.537 1.00 0.00 O ATOM 321 C3' DT A 11 4.854 -8.289 22.453 1.00 0.00 C ATOM 322 O3' DT A 11 5.590 -8.967 21.430 1.00 0.00 O ATOM 323 C2' DT A 11 3.667 -9.078 22.906 1.00 0.00 C ATOM 324 C1' DT A 11 4.193 -9.941 24.031 1.00 0.00 C ATOM 325 N1 DT A 11 3.173 -10.075 25.092 1.00 0.00 N ATOM 326 C2 DT A 11 2.234 -11.071 24.962 1.00 0.00 C ATOM 327 O2 DT A 11 2.226 -11.837 24.009 1.00 0.00 O ATOM 328 N3 DT A 11 1.291 -11.152 25.971 1.00 0.00 N ATOM 329 C4 DT A 11 1.199 -10.337 27.084 1.00 0.00 C ATOM 330 C5 DT A 11 2.220 -9.320 27.138 1.00 0.00 C ATOM 331 C6 DT A 11 3.156 -9.222 26.162 1.00 0.00 C ATOM 332 O4 DT A 11 0.312 -10.514 27.922 1.00 0.00 O ATOM 345 C7 DT A 11 2.245 -8.338 28.309 1.00 0.00 C ATOM 0 H5' DT A 11 4.214 -6.742 24.480 1.00 0.00 H new ATOM 0 H5'' DT A 11 5.633 -6.913 25.494 1.00 0.00 H new ATOM 0 H4' DT A 11 6.739 -8.047 23.472 1.00 0.00 H new ATOM 0 H3' DT A 11 4.571 -7.337 22.005 1.00 0.00 H new ATOM 0 H2' DT A 11 2.864 -8.425 23.249 1.00 0.00 H new ATOM 0 H2'' DT A 11 3.261 -9.685 22.097 1.00 0.00 H new ATOM 0 H1' DT A 11 4.429 -10.948 23.686 1.00 0.00 H new ATOM 0 H3 DT A 11 0.591 -11.889 25.885 1.00 0.00 H new ATOM 0 H71 DT A 11 3.272 -8.027 28.501 1.00 0.00 H new ATOM 0 H72 DT A 11 1.641 -7.464 28.064 1.00 0.00 H new ATOM 0 H73 DT A 11 1.840 -8.821 29.198 1.00 0.00 H new ATOM 0 H6 DT A 11 3.908 -8.450 26.231 1.00 0.00 H new ATOM 346 P DG A 12 6.717 -8.195 20.571 1.00 0.00 P ATOM 347 OP1 DG A 12 7.949 -9.016 20.591 1.00 0.00 O ATOM 348 OP2 DG A 12 6.764 -6.779 21.000 1.00 0.00 O ATOM 349 O5' DG A 12 6.115 -8.251 19.075 1.00 0.00 O ATOM 350 C5' DG A 12 4.964 -7.480 18.692 1.00 0.00 C ATOM 351 C4' DG A 12 3.664 -8.092 19.220 1.00 0.00 C ATOM 352 O4' DG A 12 3.162 -7.272 20.303 1.00 0.00 O ATOM 353 C3' DG A 12 2.576 -8.102 18.157 1.00 0.00 C ATOM 354 O3' DG A 12 1.657 -9.192 18.339 1.00 0.00 O ATOM 355 C2' DG A 12 1.898 -6.780 18.349 1.00 0.00 C ATOM 356 C1' DG A 12 2.023 -6.500 19.839 1.00 0.00 C ATOM 357 N9 DG A 12 2.223 -5.057 20.070 1.00 0.00 N ATOM 358 C8 DG A 12 3.335 -4.381 20.442 1.00 0.00 C ATOM 359 N7 DG A 12 3.234 -3.096 20.598 1.00 0.00 N ATOM 360 C5 DG A 12 1.886 -2.878 20.283 1.00 0.00 C ATOM 361 C6 DG A 12 1.129 -1.671 20.245 1.00 0.00 C ATOM 362 O6 DG A 12 1.495 -0.526 20.499 1.00 0.00 O ATOM 363 N1 DG A 12 -0.190 -1.912 19.875 1.00 0.00 N ATOM 364 C2 DG A 12 -0.719 -3.154 19.575 1.00 0.00 C ATOM 365 N2 DG A 12 -2.003 -3.188 19.233 1.00 0.00 N ATOM 366 N3 DG A 12 -0.017 -4.283 19.604 1.00 0.00 N ATOM 367 C4 DG A 12 1.266 -4.080 19.960 1.00 0.00 C ATOM 0 H5' DG A 12 4.918 -7.412 17.605 1.00 0.00 H new ATOM 0 H5'' DG A 12 5.066 -6.463 19.071 1.00 0.00 H new ATOM 0 H4' DG A 12 3.890 -9.111 19.534 1.00 0.00 H new ATOM 0 H3' DG A 12 2.973 -8.240 17.151 1.00 0.00 H new ATOM 0 H2' DG A 12 2.376 -5.999 17.757 1.00 0.00 H new ATOM 0 H2'' DG A 12 0.854 -6.821 18.039 1.00 0.00 H new ATOM 0 H1' DG A 12 1.121 -6.783 20.381 1.00 0.00 H new ATOM 0 H8 DG A 12 4.273 -4.892 20.603 1.00 0.00 H new ATOM 0 H1 DG A 12 -0.817 -1.109 19.821 1.00 0.00 H new ATOM 0 H21 DG A 12 -2.446 -4.077 19.001 1.00 0.00 H new ATOM 0 H22 DG A 12 -2.546 -2.325 19.202 1.00 0.00 H new ATOM 379 P DG A 13 0.675 -9.647 17.140 1.00 0.00 P ATOM 380 OP1 DG A 13 -0.128 -10.798 17.608 1.00 0.00 O ATOM 381 OP2 DG A 13 1.473 -9.761 15.900 1.00 0.00 O ATOM 382 O5' DG A 13 -0.307 -8.378 16.999 1.00 0.00 O ATOM 383 C5' DG A 13 -1.363 -8.178 17.944 1.00 0.00 C ATOM 384 C4' DG A 13 -2.646 -7.659 17.293 1.00 0.00 C ATOM 385 O4' DG A 13 -2.727 -6.220 17.463 1.00 0.00 O ATOM 386 C3' DG A 13 -2.665 -7.903 15.796 1.00 0.00 C ATOM 387 O3' DG A 13 -4.014 -8.082 15.341 1.00 0.00 O ATOM 388 C2' DG A 13 -2.038 -6.666 15.236 1.00 0.00 C ATOM 389 C1' DG A 13 -2.441 -5.569 16.194 1.00 0.00 C ATOM 390 N9 DG A 13 -1.374 -4.547 16.321 1.00 0.00 N ATOM 391 C8 DG A 13 -0.017 -4.686 16.378 1.00 0.00 C ATOM 392 N7 DG A 13 0.696 -3.608 16.479 1.00 0.00 N ATOM 393 C5 DG A 13 -0.287 -2.615 16.495 1.00 0.00 C ATOM 394 C6 DG A 13 -0.156 -1.211 16.591 1.00 0.00 C ATOM 395 O6 DG A 13 0.871 -0.542 16.686 1.00 0.00 O ATOM 396 N1 DG A 13 -1.388 -0.581 16.575 1.00 0.00 N ATOM 397 C2 DG A 13 -2.607 -1.211 16.477 1.00 0.00 C ATOM 398 N2 DG A 13 -3.675 -0.425 16.496 1.00 0.00 N ATOM 399 N3 DG A 13 -2.751 -2.536 16.384 1.00 0.00 N ATOM 400 C4 DG A 13 -1.557 -3.179 16.398 1.00 0.00 C ATOM 0 H5' DG A 13 -1.035 -7.470 18.705 1.00 0.00 H new ATOM 0 H5'' DG A 13 -1.573 -9.119 18.453 1.00 0.00 H new ATOM 0 H4' DG A 13 -3.473 -8.186 17.769 1.00 0.00 H new ATOM 0 H3' DG A 13 -2.134 -8.804 15.488 1.00 0.00 H new ATOM 0 H2' DG A 13 -0.954 -6.763 15.177 1.00 0.00 H new ATOM 0 H2'' DG A 13 -2.395 -6.462 14.227 1.00 0.00 H new ATOM 0 H1' DG A 13 -3.318 -5.031 15.834 1.00 0.00 H new ATOM 0 H8 DG A 13 0.447 -5.661 16.340 1.00 0.00 H new ATOM 0 H1 DG A 13 -1.393 0.437 16.642 1.00 0.00 H new ATOM 0 H21 DG A 13 -4.608 -0.831 16.427 1.00 0.00 H new ATOM 0 H22 DG A 13 -3.563 0.585 16.580 1.00 0.00 H new ATOM 412 P DA A 14 -4.396 -8.074 13.777 1.00 0.00 P ATOM 413 OP1 DA A 14 -5.602 -8.913 13.606 1.00 0.00 O ATOM 414 OP2 DA A 14 -3.178 -8.358 12.988 1.00 0.00 O ATOM 415 O5' DA A 14 -4.811 -6.538 13.525 1.00 0.00 O ATOM 416 C5' DA A 14 -5.804 -5.923 14.348 1.00 0.00 C ATOM 417 C4' DA A 14 -6.466 -4.724 13.674 1.00 0.00 C ATOM 418 O4' DA A 14 -5.662 -3.540 13.915 1.00 0.00 O ATOM 419 C3' DA A 14 -6.540 -4.885 12.167 1.00 0.00 C ATOM 420 O3' DA A 14 -7.684 -4.197 11.646 1.00 0.00 O ATOM 421 C2' DA A 14 -5.257 -4.279 11.686 1.00 0.00 C ATOM 422 C1' DA A 14 -4.959 -3.179 12.697 1.00 0.00 C ATOM 423 N9 DA A 14 -3.513 -3.038 12.918 1.00 0.00 N ATOM 424 C8 DA A 14 -2.550 -3.984 13.006 1.00 0.00 C ATOM 425 N7 DA A 14 -1.334 -3.588 13.182 1.00 0.00 N ATOM 426 C5 DA A 14 -1.494 -2.199 13.221 1.00 0.00 C ATOM 427 C6 DA A 14 -0.588 -1.147 13.378 1.00 0.00 C ATOM 428 N6 DA A 14 0.712 -1.343 13.565 1.00 0.00 N ATOM 429 N1 DA A 14 -1.078 0.109 13.368 1.00 0.00 N ATOM 430 C2 DA A 14 -2.391 0.313 13.208 1.00 0.00 C ATOM 431 N3 DA A 14 -3.336 -0.611 13.047 1.00 0.00 N ATOM 432 C4 DA A 14 -2.817 -1.856 13.062 1.00 0.00 C ATOM 0 H5' DA A 14 -5.347 -5.602 15.284 1.00 0.00 H new ATOM 0 H5'' DA A 14 -6.567 -6.659 14.602 1.00 0.00 H new ATOM 0 H4' DA A 14 -7.471 -4.643 14.087 1.00 0.00 H new ATOM 0 H3' DA A 14 -6.652 -5.920 11.845 1.00 0.00 H new ATOM 0 H2' DA A 14 -4.456 -5.017 11.654 1.00 0.00 H new ATOM 0 H2'' DA A 14 -5.360 -3.876 10.678 1.00 0.00 H new ATOM 0 H1' DA A 14 -5.297 -2.208 12.335 1.00 0.00 H new ATOM 0 H8 DA A 14 -2.790 -5.034 12.932 1.00 0.00 H new ATOM 0 H61 DA A 14 1.337 -0.545 13.675 1.00 0.00 H new ATOM 0 H62 DA A 14 1.085 -2.292 13.599 1.00 0.00 H new ATOM 0 H2 DA A 14 -2.721 1.341 13.210 1.00 0.00 H new ATOM 444 P DT A 15 -7.810 -3.835 10.087 1.00 0.00 P ATOM 445 OP1 DT A 15 -9.247 -3.852 9.735 1.00 0.00 O ATOM 446 OP2 DT A 15 -6.852 -4.672 9.331 1.00 0.00 O ATOM 447 O5' DT A 15 -7.291 -2.313 10.051 1.00 0.00 O ATOM 448 C5' DT A 15 -7.741 -1.374 11.030 1.00 0.00 C ATOM 449 C4' DT A 15 -7.585 0.070 10.561 1.00 0.00 C ATOM 450 O4' DT A 15 -6.231 0.513 10.836 1.00 0.00 O ATOM 451 C3' DT A 15 -7.780 0.190 9.058 1.00 0.00 C ATOM 452 O3' DT A 15 -8.295 1.487 8.712 1.00 0.00 O ATOM 453 C2' DT A 15 -6.393 -0.020 8.521 1.00 0.00 C ATOM 454 C1' DT A 15 -5.489 0.577 9.594 1.00 0.00 C ATOM 455 N1 DT A 15 -4.181 -0.109 9.692 1.00 0.00 N ATOM 456 C2 DT A 15 -3.078 0.709 9.858 1.00 0.00 C ATOM 457 O2 DT A 15 -3.179 1.927 9.948 1.00 0.00 O ATOM 458 N3 DT A 15 -1.853 0.080 9.915 1.00 0.00 N ATOM 459 C4 DT A 15 -1.636 -1.283 9.829 1.00 0.00 C ATOM 460 C5 DT A 15 -2.841 -2.066 9.656 1.00 0.00 C ATOM 461 C6 DT A 15 -4.053 -1.472 9.593 1.00 0.00 C ATOM 462 O4 DT A 15 -0.500 -1.740 9.916 1.00 0.00 O ATOM 475 C7 DT A 15 -2.733 -3.586 9.534 1.00 0.00 C ATOM 0 H5' DT A 15 -7.179 -1.517 11.953 1.00 0.00 H new ATOM 0 H5'' DT A 15 -8.788 -1.567 11.262 1.00 0.00 H new ATOM 0 H4' DT A 15 -8.332 0.667 11.084 1.00 0.00 H new ATOM 0 H3' DT A 15 -8.501 -0.520 8.652 1.00 0.00 H new ATOM 0 H2' DT A 15 -6.182 -1.078 8.364 1.00 0.00 H new ATOM 0 H2'' DT A 15 -6.257 0.478 7.561 1.00 0.00 H new ATOM 0 H1' DT A 15 -5.235 1.607 9.342 1.00 0.00 H new ATOM 0 H3 DT A 15 -1.032 0.674 10.031 1.00 0.00 H new ATOM 0 H71 DT A 15 -1.778 -3.847 9.077 1.00 0.00 H new ATOM 0 H72 DT A 15 -2.797 -4.036 10.525 1.00 0.00 H new ATOM 0 H73 DT A 15 -3.547 -3.960 8.913 1.00 0.00 H new ATOM 0 H6 DT A 15 -4.936 -2.080 9.463 1.00 0.00 H new ATOM 476 P DC A 16 -8.443 1.950 7.177 1.00 0.00 P ATOM 477 OP1 DC A 16 -9.657 2.774 7.057 1.00 0.00 O ATOM 478 OP2 DC A 16 -8.265 0.775 6.304 1.00 0.00 O ATOM 479 O5' DC A 16 -7.181 2.908 6.998 1.00 0.00 O ATOM 480 C5' DC A 16 -6.831 3.861 7.976 1.00 0.00 C ATOM 481 C4' DC A 16 -5.806 4.873 7.480 1.00 0.00 C ATOM 482 O4' DC A 16 -4.476 4.350 7.706 1.00 0.00 O ATOM 483 C3' DC A 16 -5.922 5.093 5.983 1.00 0.00 C ATOM 484 O3' DC A 16 -5.522 6.424 5.632 1.00 0.00 O ATOM 485 C2' DC A 16 -4.994 4.069 5.403 1.00 0.00 C ATOM 486 C1' DC A 16 -3.897 3.936 6.443 1.00 0.00 C ATOM 487 N1 DC A 16 -3.352 2.566 6.517 1.00 0.00 N ATOM 488 C2 DC A 16 -1.974 2.440 6.603 1.00 0.00 C ATOM 489 O2 DC A 16 -1.258 3.441 6.618 1.00 0.00 O ATOM 490 N3 DC A 16 -1.440 1.190 6.660 1.00 0.00 N ATOM 491 C4 DC A 16 -2.220 0.105 6.629 1.00 0.00 C ATOM 492 N4 DC A 16 -1.660 -1.115 6.702 1.00 0.00 N ATOM 493 C5 DC A 16 -3.647 0.234 6.538 1.00 0.00 C ATOM 494 C6 DC A 16 -4.162 1.478 6.489 1.00 0.00 C ATOM 0 H5' DC A 16 -6.432 3.347 8.850 1.00 0.00 H new ATOM 0 H5'' DC A 16 -7.728 4.389 8.299 1.00 0.00 H new ATOM 0 H4' DC A 16 -5.986 5.806 8.014 1.00 0.00 H new ATOM 0 H3' DC A 16 -6.942 4.988 5.612 1.00 0.00 H new ATOM 0 H2' DC A 16 -5.502 3.119 5.235 1.00 0.00 H new ATOM 0 H2'' DC A 16 -4.595 4.391 4.441 1.00 0.00 H new ATOM 0 H1' DC A 16 -3.046 4.563 6.176 1.00 0.00 H new ATOM 0 H41 DC A 16 -2.248 -1.948 6.679 1.00 0.00 H new ATOM 0 H42 DC A 16 -0.647 -1.207 6.780 1.00 0.00 H new ATOM 0 H5 DC A 16 -4.286 -0.636 6.510 1.00 0.00 H new ATOM 0 H6 DC A 16 -5.232 1.611 6.427 1.00 0.00 H new ATOM 506 P DC A 17 -5.523 6.914 4.099 1.00 0.00 P ATOM 507 OP1 DC A 17 -6.220 8.218 4.034 1.00 0.00 O ATOM 508 OP2 DC A 17 -5.986 5.788 3.255 1.00 0.00 O ATOM 509 O5' DC A 17 -3.957 7.159 3.798 1.00 0.00 O ATOM 510 C5' DC A 17 -3.368 8.463 3.907 1.00 0.00 C ATOM 511 C4' DC A 17 -1.840 8.399 3.953 1.00 0.00 C ATOM 512 O4' DC A 17 -1.421 7.069 4.365 1.00 0.00 O ATOM 513 C3' DC A 17 -1.246 8.620 2.570 1.00 0.00 C ATOM 514 O3' DC A 17 0.052 9.225 2.662 1.00 0.00 O ATOM 515 C2' DC A 17 -1.176 7.238 2.003 1.00 0.00 C ATOM 516 C1' DC A 17 -0.899 6.355 3.217 1.00 0.00 C ATOM 517 N1 DC A 17 -1.507 5.016 3.070 1.00 0.00 N ATOM 518 C2 DC A 17 -0.653 3.935 3.187 1.00 0.00 C ATOM 519 O2 DC A 17 0.537 4.117 3.420 1.00 0.00 O ATOM 520 N3 DC A 17 -1.162 2.680 3.044 1.00 0.00 N ATOM 521 C4 DC A 17 -2.467 2.496 2.797 1.00 0.00 C ATOM 522 N4 DC A 17 -2.942 1.253 2.676 1.00 0.00 N ATOM 523 C5 DC A 17 -3.359 3.617 2.677 1.00 0.00 C ATOM 524 C6 DC A 17 -2.836 4.853 2.821 1.00 0.00 C ATOM 0 H5' DC A 17 -3.738 8.954 4.807 1.00 0.00 H new ATOM 0 H5'' DC A 17 -3.680 9.074 3.060 1.00 0.00 H new ATOM 0 H4' DC A 17 -1.501 9.169 4.647 1.00 0.00 H new ATOM 0 H3' DC A 17 -1.832 9.297 1.949 1.00 0.00 H new ATOM 0 H2' DC A 17 -2.109 6.960 1.512 1.00 0.00 H new ATOM 0 H2'' DC A 17 -0.385 7.152 1.258 1.00 0.00 H new ATOM 0 H1' DC A 17 0.169 6.170 3.332 1.00 0.00 H new ATOM 0 H41 DC A 17 -3.933 1.102 2.488 1.00 0.00 H new ATOM 0 H42 DC A 17 -2.313 0.455 2.772 1.00 0.00 H new ATOM 0 H5 DC A 17 -4.411 3.475 2.479 1.00 0.00 H new ATOM 0 H6 DC A 17 -3.476 5.719 2.738 1.00 0.00 H new ATOM 536 P DT A 18 0.958 9.498 1.351 1.00 0.00 P ATOM 537 OP1 DT A 18 1.208 10.949 1.242 1.00 0.00 O ATOM 538 OP2 DT A 18 0.374 8.764 0.211 1.00 0.00 O ATOM 539 O5' DT A 18 2.339 8.780 1.743 1.00 0.00 O ATOM 540 C5' DT A 18 2.332 7.485 2.307 1.00 0.00 C ATOM 541 C4' DT A 18 3.626 6.707 2.057 1.00 0.00 C ATOM 542 O4' DT A 18 3.316 5.296 2.061 1.00 0.00 O ATOM 543 C3' DT A 18 4.234 7.013 0.693 1.00 0.00 C ATOM 544 O3' DT A 18 5.661 6.829 0.707 1.00 0.00 O ATOM 545 C2' DT A 18 3.574 6.014 -0.205 1.00 0.00 C ATOM 546 C1' DT A 18 3.334 4.799 0.704 1.00 0.00 C ATOM 547 N1 DT A 18 2.066 4.098 0.401 1.00 0.00 N ATOM 548 C2 DT A 18 2.102 2.714 0.403 1.00 0.00 C ATOM 549 O2 DT A 18 3.131 2.080 0.641 1.00 0.00 O ATOM 550 N3 DT A 18 0.911 2.073 0.130 1.00 0.00 N ATOM 551 C4 DT A 18 -0.304 2.680 -0.142 1.00 0.00 C ATOM 552 C5 DT A 18 -0.256 4.130 -0.123 1.00 0.00 C ATOM 553 C6 DT A 18 0.902 4.785 0.142 1.00 0.00 C ATOM 554 O4 DT A 18 -1.299 2.000 -0.371 1.00 0.00 O ATOM 568 C7 DT A 18 -1.531 4.920 -0.397 1.00 0.00 C ATOM 0 H5' DT A 18 1.493 6.922 1.897 1.00 0.00 H new ATOM 0 H5'' DT A 18 2.167 7.565 3.381 1.00 0.00 H new ATOM 0 H4' DT A 18 4.333 6.993 2.836 1.00 0.00 H new ATOM 0 H3' DT A 18 4.077 8.044 0.378 1.00 0.00 H new ATOM 0 H2' DT A 18 2.639 6.399 -0.612 1.00 0.00 H new ATOM 0 H2'' DT A 18 4.209 5.759 -1.053 1.00 0.00 H new ATOM 0 HO3' DT A 18 6.025 7.030 -0.180 1.00 0.00 H new ATOM 0 H1' DT A 18 4.125 4.066 0.546 1.00 0.00 H new ATOM 0 H3 DT A 18 0.927 1.053 0.128 1.00 0.00 H new ATOM 0 H71 DT A 18 -2.175 4.350 -1.067 1.00 0.00 H new ATOM 0 H72 DT A 18 -2.055 5.103 0.541 1.00 0.00 H new ATOM 0 H73 DT A 18 -1.276 5.872 -0.862 1.00 0.00 H new ATOM 0 H6 DT A 18 0.911 5.865 0.150 1.00 0.00 H new TER 569 DT A 18 END