USER MOD reduce.3.24.130724 H: found=0, std=0, add=205, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 205 hydrogens (0 hets) HEADER DNA 31-AUG-07 2VAH TITLE SOLUTION STRUCTURE OF A B-DNA HAIRPIN AT LOW 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 2VAH 1 VERSN REVDAT 1 11-SEP-07 2VAH 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 HIGH PRESSURE STRUCTURE PDB ENTRY 2VAI REMARK 4 REMARK 4 2VAH 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-33529. 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 : 30.0 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 LOW 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 1.57 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 0.052 REMARK 500 DT A 15 C5 DT A 15 C7 0.038 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. = 3.8 DEGREES REMARK 500 DA A 1 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG A 2 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG A 3 C5 - N7 - C8 ANGL. DEV. = -3.4 DEGREES REMARK 500 DG A 3 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DG A 3 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG A 3 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA A 4 C5 - N7 - C8 ANGL. DEV. = -3.5 DEGREES REMARK 500 DA A 4 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DT A 5 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 DC A 6 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 DC A 7 O4' - C1' - N1 ANGL. DEV. = 3.9 DEGREES REMARK 500 DT A 8 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DU A 9 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DT A 10 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DT A 11 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG A 12 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DG A 12 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG A 12 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG A 13 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DG A 13 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DG A 13 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DA A 14 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DA A 14 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DT A 15 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DC A 16 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC A 17 O4' - C1' - N1 ANGL. DEV. = 3.6 DEGREES REMARK 500 DT A 18 O4' - C1' - N1 ANGL. DEV. = 2.7 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: 2VAI RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF A B-DNA HAIRPIN AT REMARK 900 HIGH PRESSURE. DBREF 2VAH A 1 18 PDB 2VAH 2VAH 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 48:sc= 0.994 USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.584 (180deg=-2.05) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl -30:sc= -3.84! (180deg=-4.13!) USER MOD Single : A 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DT C7 :methyl -30:sc= -1.59 (180deg=-2.34!) USER MOD Single : A 18 DT C7 :methyl -30:sc= -1.46 (180deg=-3.32!) USER MOD Single : A 18 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.246 -7.196 2.028 1.00 0.00 O ATOM 2 C5' DA A 1 1.109 -8.336 1.986 1.00 0.00 C ATOM 3 C4' DA A 1 2.481 -7.989 1.404 1.00 0.00 C ATOM 4 O4' DA A 1 2.303 -7.195 0.205 1.00 0.00 O ATOM 5 C3' DA A 1 3.299 -7.139 2.354 1.00 0.00 C ATOM 6 O3' DA A 1 4.704 -7.362 2.184 1.00 0.00 O ATOM 7 C2' DA A 1 2.922 -5.741 1.981 1.00 0.00 C ATOM 8 C1' DA A 1 2.619 -5.807 0.494 1.00 0.00 C ATOM 9 N9 DA A 1 1.485 -4.923 0.162 1.00 0.00 N ATOM 10 C8 DA A 1 0.224 -5.237 -0.225 1.00 0.00 C ATOM 11 N7 DA A 1 -0.596 -4.261 -0.440 1.00 0.00 N ATOM 12 C5 DA A 1 0.211 -3.152 -0.166 1.00 0.00 C ATOM 13 C6 DA A 1 -0.029 -1.773 -0.195 1.00 0.00 C ATOM 14 N6 DA A 1 -1.200 -1.243 -0.537 1.00 0.00 N ATOM 15 N1 DA A 1 0.989 -0.958 0.134 1.00 0.00 N ATOM 16 C2 DA A 1 2.175 -1.467 0.473 1.00 0.00 C ATOM 17 N3 DA A 1 2.510 -2.751 0.535 1.00 0.00 N ATOM 18 C4 DA A 1 1.476 -3.547 0.201 1.00 0.00 C ATOM 0 H5' DA A 1 0.647 -9.120 1.385 1.00 0.00 H new ATOM 0 H5'' DA A 1 1.232 -8.736 2.992 1.00 0.00 H new ATOM 0 H4' DA A 1 2.993 -8.932 1.212 1.00 0.00 H new ATOM 0 H3' DA A 1 3.101 -7.368 3.401 1.00 0.00 H new ATOM 0 H2' DA A 1 2.055 -5.400 2.547 1.00 0.00 H new ATOM 0 H2'' DA A 1 3.733 -5.043 2.189 1.00 0.00 H new ATOM 0 HO5' DA A 1 0.273 -6.733 1.164 1.00 0.00 H new ATOM 0 H1' DA A 1 3.466 -5.470 -0.104 1.00 0.00 H new ATOM 0 H8 DA A 1 -0.084 -6.265 -0.349 1.00 0.00 H new ATOM 0 H61 DA A 1 -1.320 -0.230 -0.541 1.00 0.00 H new ATOM 0 H62 DA A 1 -1.978 -1.850 -0.795 1.00 0.00 H new ATOM 0 H2 DA A 1 2.948 -0.756 0.725 1.00 0.00 H new ATOM 31 P DG A 2 5.742 -6.956 3.344 1.00 0.00 P ATOM 32 OP1 DG A 2 7.105 -7.305 2.887 1.00 0.00 O ATOM 33 OP2 DG A 2 5.233 -7.494 4.625 1.00 0.00 O ATOM 34 O5' DG A 2 5.615 -5.349 3.384 1.00 0.00 O ATOM 35 C5' DG A 2 6.274 -4.537 2.402 1.00 0.00 C ATOM 36 C4' DG A 2 6.826 -3.235 2.993 1.00 0.00 C ATOM 37 O4' DG A 2 5.892 -2.157 2.735 1.00 0.00 O ATOM 38 C3' DG A 2 6.964 -3.319 4.503 1.00 0.00 C ATOM 39 O3' DG A 2 8.035 -2.482 4.964 1.00 0.00 O ATOM 40 C2' DG A 2 5.633 -2.839 4.999 1.00 0.00 C ATOM 41 C1' DG A 2 5.200 -1.809 3.966 1.00 0.00 C ATOM 42 N9 DG A 2 3.728 -1.805 3.782 1.00 0.00 N ATOM 43 C8 DG A 2 2.869 -2.846 3.644 1.00 0.00 C ATOM 44 N7 DG A 2 1.614 -2.570 3.466 1.00 0.00 N ATOM 45 C5 DG A 2 1.632 -1.167 3.492 1.00 0.00 C ATOM 46 C6 DG A 2 0.559 -0.227 3.366 1.00 0.00 C ATOM 47 O6 DG A 2 -0.639 -0.442 3.194 1.00 0.00 O ATOM 48 N1 DG A 2 1.015 1.081 3.459 1.00 0.00 N ATOM 49 C2 DG A 2 2.327 1.456 3.655 1.00 0.00 C ATOM 50 N2 DG A 2 2.567 2.766 3.710 1.00 0.00 N ATOM 51 N3 DG A 2 3.335 0.589 3.777 1.00 0.00 N ATOM 52 C4 DG A 2 2.923 -0.697 3.687 1.00 0.00 C ATOM 0 H5' DG A 2 5.573 -4.301 1.601 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.090 -5.104 1.954 1.00 0.00 H new ATOM 0 H4' DG A 2 7.800 -3.063 2.534 1.00 0.00 H new ATOM 0 H3' DG A 2 7.207 -4.320 4.860 1.00 0.00 H new ATOM 0 H2' DG A 2 4.916 -3.657 5.071 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.714 -2.398 5.992 1.00 0.00 H new ATOM 0 H1' DG A 2 5.456 -0.800 4.288 1.00 0.00 H new ATOM 0 H8 DG A 2 3.217 -3.868 3.681 1.00 0.00 H new ATOM 0 H1 DG A 2 0.323 1.825 3.375 1.00 0.00 H new ATOM 0 H21 DG A 2 3.518 3.105 3.853 1.00 0.00 H new ATOM 0 H22 DG A 2 1.799 3.430 3.609 1.00 0.00 H new ATOM 64 P DG A 3 8.243 -2.166 6.531 1.00 0.00 P ATOM 65 OP1 DG A 3 9.665 -2.405 6.861 1.00 0.00 O ATOM 66 OP2 DG A 3 7.185 -2.856 7.303 1.00 0.00 O ATOM 67 O5' DG A 3 7.970 -0.584 6.605 1.00 0.00 O ATOM 68 C5' DG A 3 8.939 0.348 6.108 1.00 0.00 C ATOM 69 C4' DG A 3 8.550 1.791 6.426 1.00 0.00 C ATOM 70 O4' DG A 3 7.171 2.015 6.039 1.00 0.00 O ATOM 71 C3' DG A 3 8.618 2.060 7.917 1.00 0.00 C ATOM 72 O3' DG A 3 8.929 3.438 8.183 1.00 0.00 O ATOM 73 C2' DG A 3 7.245 1.705 8.391 1.00 0.00 C ATOM 74 C1' DG A 3 6.339 2.062 7.228 1.00 0.00 C ATOM 75 N9 DG A 3 5.197 1.118 7.126 1.00 0.00 N ATOM 76 C8 DG A 3 5.191 -0.248 7.092 1.00 0.00 C ATOM 77 N7 DG A 3 4.043 -0.846 6.995 1.00 0.00 N ATOM 78 C5 DG A 3 3.169 0.258 6.962 1.00 0.00 C ATOM 79 C6 DG A 3 1.740 0.324 6.864 1.00 0.00 C ATOM 80 O6 DG A 3 0.930 -0.591 6.787 1.00 0.00 O ATOM 81 N1 DG A 3 1.278 1.639 6.863 1.00 0.00 N ATOM 82 C2 DG A 3 2.065 2.760 6.947 1.00 0.00 C ATOM 83 N2 DG A 3 1.429 3.930 6.939 1.00 0.00 N ATOM 84 N3 DG A 3 3.394 2.721 7.042 1.00 0.00 N ATOM 85 C4 DG A 3 3.879 1.453 7.043 1.00 0.00 C ATOM 0 H5' DG A 3 9.040 0.228 5.029 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.913 0.129 6.546 1.00 0.00 H new ATOM 0 H4' DG A 3 9.241 2.440 5.888 1.00 0.00 H new ATOM 0 H3' DG A 3 9.399 1.491 8.420 1.00 0.00 H new ATOM 0 H2' DG A 3 7.172 0.646 8.641 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.978 2.263 9.288 1.00 0.00 H new ATOM 0 H1' DG A 3 5.900 3.051 7.360 1.00 0.00 H new ATOM 0 H8 DG A 3 6.111 -0.811 7.144 1.00 0.00 H new ATOM 0 H1 DG A 3 0.270 1.780 6.794 1.00 0.00 H new ATOM 0 H21 DG A 3 1.959 4.799 6.999 1.00 0.00 H new ATOM 0 H22 DG A 3 0.411 3.957 6.873 1.00 0.00 H new ATOM 97 P DA A 4 8.913 4.017 9.687 1.00 0.00 P ATOM 98 OP1 DA A 4 9.858 5.153 9.755 1.00 0.00 O ATOM 99 OP2 DA A 4 9.058 2.880 10.622 1.00 0.00 O ATOM 100 O5' DA A 4 7.416 4.593 9.832 1.00 0.00 O ATOM 101 C5' DA A 4 6.918 5.576 8.919 1.00 0.00 C ATOM 102 C4' DA A 4 5.751 6.371 9.508 1.00 0.00 C ATOM 103 O4' DA A 4 4.521 5.628 9.321 1.00 0.00 O ATOM 104 C3' DA A 4 5.906 6.560 11.007 1.00 0.00 C ATOM 105 O3' DA A 4 5.286 7.785 11.433 1.00 0.00 O ATOM 106 C2' DA A 4 5.217 5.354 11.581 1.00 0.00 C ATOM 107 C1' DA A 4 4.099 5.064 10.590 1.00 0.00 C ATOM 108 N9 DA A 4 3.823 3.612 10.468 1.00 0.00 N ATOM 109 C8 DA A 4 4.670 2.540 10.452 1.00 0.00 C ATOM 110 N7 DA A 4 4.145 1.362 10.324 1.00 0.00 N ATOM 111 C5 DA A 4 2.781 1.698 10.249 1.00 0.00 C ATOM 112 C6 DA A 4 1.597 0.941 10.122 1.00 0.00 C ATOM 113 N6 DA A 4 1.592 -0.365 10.022 1.00 0.00 N ATOM 114 N1 DA A 4 0.414 1.593 10.089 1.00 0.00 N ATOM 115 C2 DA A 4 0.384 2.912 10.181 1.00 0.00 C ATOM 116 N3 DA A 4 1.423 3.727 10.309 1.00 0.00 N ATOM 117 C4 DA A 4 2.597 3.055 10.337 1.00 0.00 C ATOM 0 H5' DA A 4 6.595 5.086 8.000 1.00 0.00 H new ATOM 0 H5'' DA A 4 7.723 6.260 8.650 1.00 0.00 H new ATOM 0 H4' DA A 4 5.734 7.338 9.004 1.00 0.00 H new ATOM 0 H3' DA A 4 6.944 6.638 11.330 1.00 0.00 H new ATOM 0 H2' DA A 4 5.900 4.509 11.671 1.00 0.00 H new ATOM 0 H2'' DA A 4 4.825 5.555 12.578 1.00 0.00 H new ATOM 0 H1' DA A 4 3.164 5.509 10.930 1.00 0.00 H new ATOM 0 H8 DA A 4 5.738 2.670 10.543 1.00 0.00 H new ATOM 0 H61 DA A 4 0.708 -0.866 9.932 1.00 0.00 H new ATOM 0 H62 DA A 4 2.472 -0.881 10.034 1.00 0.00 H new ATOM 0 H2 DA A 4 -0.591 3.375 10.148 1.00 0.00 H new ATOM 129 P DT A 5 4.964 8.068 12.986 1.00 0.00 P ATOM 130 OP1 DT A 5 5.059 9.526 13.222 1.00 0.00 O ATOM 131 OP2 DT A 5 5.768 7.133 13.806 1.00 0.00 O ATOM 132 O5' DT A 5 3.419 7.635 13.111 1.00 0.00 O ATOM 133 C5' DT A 5 2.461 8.055 12.132 1.00 0.00 C ATOM 134 C4' DT A 5 1.027 7.997 12.664 1.00 0.00 C ATOM 135 O4' DT A 5 0.512 6.650 12.496 1.00 0.00 O ATOM 136 C3' DT A 5 0.983 8.282 14.161 1.00 0.00 C ATOM 137 O3' DT A 5 -0.266 8.888 14.541 1.00 0.00 O ATOM 138 C2' DT A 5 1.142 6.923 14.771 1.00 0.00 C ATOM 139 C1' DT A 5 0.448 5.996 13.789 1.00 0.00 C ATOM 140 N1 DT A 5 1.058 4.640 13.774 1.00 0.00 N ATOM 141 C2 DT A 5 0.195 3.567 13.674 1.00 0.00 C ATOM 142 O2 DT A 5 -1.020 3.707 13.569 1.00 0.00 O ATOM 143 N3 DT A 5 0.779 2.316 13.686 1.00 0.00 N ATOM 144 C4 DT A 5 2.137 2.038 13.792 1.00 0.00 C ATOM 145 C5 DT A 5 2.976 3.221 13.895 1.00 0.00 C ATOM 146 C6 DT A 5 2.417 4.458 13.873 1.00 0.00 C ATOM 147 O4 DT A 5 2.535 0.875 13.796 1.00 0.00 O ATOM 160 C7 DT A 5 4.506 3.074 14.078 1.00 0.00 C ATOM 0 H5' DT A 5 2.545 7.422 11.249 1.00 0.00 H new ATOM 0 H5'' DT A 5 2.689 9.073 11.817 1.00 0.00 H new ATOM 0 H4' DT A 5 0.444 8.738 12.117 1.00 0.00 H new ATOM 0 H3' DT A 5 1.749 8.986 14.486 1.00 0.00 H new ATOM 0 H2' DT A 5 2.193 6.661 14.893 1.00 0.00 H new ATOM 0 H2'' DT A 5 0.684 6.873 15.759 1.00 0.00 H new ATOM 0 H1' DT A 5 -0.589 5.826 14.079 1.00 0.00 H new ATOM 0 H3 DT A 5 0.151 1.516 13.609 1.00 0.00 H new ATOM 0 H71 DT A 5 4.721 2.153 14.619 1.00 0.00 H new ATOM 0 H72 DT A 5 4.988 3.042 13.101 1.00 0.00 H new ATOM 0 H73 DT A 5 4.888 3.924 14.643 1.00 0.00 H new ATOM 0 H6 DT A 5 3.059 5.324 13.935 1.00 0.00 H new ATOM 161 P DC A 6 -0.719 8.987 16.089 1.00 0.00 P ATOM 162 OP1 DC A 6 -1.418 10.277 16.287 1.00 0.00 O ATOM 163 OP2 DC A 6 0.439 8.640 16.943 1.00 0.00 O ATOM 164 O5' DC A 6 -1.805 7.807 16.219 1.00 0.00 O ATOM 165 C5' DC A 6 -2.861 7.696 15.263 1.00 0.00 C ATOM 166 C4' DC A 6 -3.907 6.653 15.661 1.00 0.00 C ATOM 167 O4' DC A 6 -3.369 5.323 15.435 1.00 0.00 O ATOM 168 C3' DC A 6 -4.229 6.731 17.146 1.00 0.00 C ATOM 169 O3' DC A 6 -5.590 6.328 17.392 1.00 0.00 O ATOM 170 C2' DC A 6 -3.237 5.786 17.765 1.00 0.00 C ATOM 171 C1' DC A 6 -3.058 4.706 16.712 1.00 0.00 C ATOM 172 N1 DC A 6 -1.696 4.112 16.741 1.00 0.00 N ATOM 173 C2 DC A 6 -1.618 2.727 16.670 1.00 0.00 C ATOM 174 O2 DC A 6 -2.644 2.056 16.567 1.00 0.00 O ATOM 175 N3 DC A 6 -0.388 2.141 16.711 1.00 0.00 N ATOM 176 C4 DC A 6 0.722 2.880 16.815 1.00 0.00 C ATOM 177 N4 DC A 6 1.909 2.273 16.866 1.00 0.00 N ATOM 178 C5 DC A 6 0.650 4.308 16.885 1.00 0.00 C ATOM 179 C6 DC A 6 -0.572 4.881 16.847 1.00 0.00 C ATOM 0 H5' DC A 6 -2.441 7.432 14.292 1.00 0.00 H new ATOM 0 H5'' DC A 6 -3.345 8.666 15.148 1.00 0.00 H new ATOM 0 H4' DC A 6 -4.800 6.847 15.067 1.00 0.00 H new ATOM 0 H3' DC A 6 -4.152 7.737 17.559 1.00 0.00 H new ATOM 0 H2' DC A 6 -2.295 6.286 17.989 1.00 0.00 H new ATOM 0 H2'' DC A 6 -3.610 5.373 18.702 1.00 0.00 H new ATOM 0 H1' DC A 6 -3.725 3.865 16.902 1.00 0.00 H new ATOM 0 H41 DC A 6 2.762 2.827 16.945 1.00 0.00 H new ATOM 0 H42 DC A 6 1.963 1.255 16.826 1.00 0.00 H new ATOM 0 H5 DC A 6 1.544 4.908 16.966 1.00 0.00 H new ATOM 0 H6 DC A 6 -0.662 5.956 16.901 1.00 0.00 H new ATOM 191 P DC A 7 -6.086 5.825 18.844 1.00 0.00 P ATOM 192 OP1 DC A 7 -7.489 6.258 19.033 1.00 0.00 O ATOM 193 OP2 DC A 7 -5.060 6.195 19.844 1.00 0.00 O ATOM 194 O5' DC A 7 -6.077 4.223 18.683 1.00 0.00 O ATOM 195 C5' DC A 7 -6.566 3.614 17.482 1.00 0.00 C ATOM 196 C4' DC A 7 -6.743 2.099 17.618 1.00 0.00 C ATOM 197 O4' DC A 7 -5.444 1.449 17.568 1.00 0.00 O ATOM 198 C3' DC A 7 -7.341 1.737 18.966 1.00 0.00 C ATOM 199 O3' DC A 7 -8.130 0.540 18.871 1.00 0.00 O ATOM 200 C2' DC A 7 -6.136 1.543 19.838 1.00 0.00 C ATOM 201 C1' DC A 7 -5.087 0.983 18.898 1.00 0.00 C ATOM 202 N1 DC A 7 -3.715 1.398 19.288 1.00 0.00 N ATOM 203 C2 DC A 7 -2.756 0.395 19.412 1.00 0.00 C ATOM 204 O2 DC A 7 -3.055 -0.780 19.198 1.00 0.00 O ATOM 205 N3 DC A 7 -1.490 0.747 19.775 1.00 0.00 N ATOM 206 C4 DC A 7 -1.172 2.027 20.007 1.00 0.00 C ATOM 207 N4 DC A 7 0.075 2.333 20.363 1.00 0.00 N ATOM 208 C5 DC A 7 -2.152 3.065 19.883 1.00 0.00 C ATOM 209 C6 DC A 7 -3.405 2.708 19.522 1.00 0.00 C ATOM 0 H5' DC A 7 -5.875 3.823 16.666 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.521 4.065 17.214 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.396 1.777 16.807 1.00 0.00 H new ATOM 0 H3' DC A 7 -8.020 2.495 19.356 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.811 2.483 20.284 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.344 0.856 20.658 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.071 -0.106 18.934 1.00 0.00 H new ATOM 0 H41 DC A 7 0.330 3.304 20.543 1.00 0.00 H new ATOM 0 H42 DC A 7 0.774 1.596 20.456 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.898 4.098 20.072 1.00 0.00 H new ATOM 0 H6 DC A 7 -4.168 3.465 19.418 1.00 0.00 H new ATOM 221 P DT A 8 -8.713 -0.196 20.182 1.00 0.00 P ATOM 222 OP1 DT A 8 -7.854 -1.365 20.470 1.00 0.00 O ATOM 223 OP2 DT A 8 -10.169 -0.382 19.994 1.00 0.00 O ATOM 224 O5' DT A 8 -8.493 0.895 21.353 1.00 0.00 O ATOM 225 C5' DT A 8 -8.307 0.490 22.720 1.00 0.00 C ATOM 226 C4' DT A 8 -6.870 0.025 22.988 1.00 0.00 C ATOM 227 O4' DT A 8 -5.940 0.968 22.398 1.00 0.00 O ATOM 228 C3' DT A 8 -6.546 -0.003 24.471 1.00 0.00 C ATOM 229 O3' DT A 8 -5.567 -1.015 24.761 1.00 0.00 O ATOM 230 C2' DT A 8 -6.015 1.377 24.739 1.00 0.00 C ATOM 231 C1' DT A 8 -5.336 1.780 23.440 1.00 0.00 C ATOM 232 N1 DT A 8 -5.515 3.229 23.163 1.00 0.00 N ATOM 233 C2 DT A 8 -4.403 4.045 23.256 1.00 0.00 C ATOM 234 O2 DT A 8 -3.293 3.609 23.553 1.00 0.00 O ATOM 235 N3 DT A 8 -4.607 5.386 22.997 1.00 0.00 N ATOM 236 C4 DT A 8 -5.807 5.978 22.655 1.00 0.00 C ATOM 237 C5 DT A 8 -6.915 5.053 22.579 1.00 0.00 C ATOM 238 C6 DT A 8 -6.742 3.739 22.829 1.00 0.00 C ATOM 239 O4 DT A 8 -5.870 7.187 22.445 1.00 0.00 O ATOM 252 C7 DT A 8 -8.303 5.570 22.210 1.00 0.00 C ATOM 0 H5' DT A 8 -9.000 -0.317 22.957 1.00 0.00 H new ATOM 0 H5'' DT A 8 -8.549 1.322 23.381 1.00 0.00 H new ATOM 0 H4' DT A 8 -6.782 -0.976 22.565 1.00 0.00 H new ATOM 0 H3' DT A 8 -7.405 -0.247 25.096 1.00 0.00 H new ATOM 0 H2' DT A 8 -6.817 2.068 24.999 1.00 0.00 H new ATOM 0 H2'' DT A 8 -5.312 1.377 25.572 1.00 0.00 H new ATOM 0 H1' DT A 8 -4.260 1.615 23.494 1.00 0.00 H new ATOM 0 H3 DT A 8 -3.794 5.998 23.065 1.00 0.00 H new ATOM 0 H71 DT A 8 -8.858 4.787 21.693 1.00 0.00 H new ATOM 0 H72 DT A 8 -8.838 5.856 23.116 1.00 0.00 H new ATOM 0 H73 DT A 8 -8.206 6.437 21.557 1.00 0.00 H new ATOM 0 H6 DT A 8 -7.590 3.074 22.764 1.00 0.00 H new ATOM 253 P DU A 9 -4.932 -1.182 26.234 1.00 0.00 P ATOM 254 OP1 DU A 9 -5.103 -2.590 26.656 1.00 0.00 O ATOM 255 OP2 DU A 9 -5.438 -0.088 27.093 1.00 0.00 O ATOM 256 O5' DU A 9 -3.367 -0.929 25.966 1.00 0.00 O ATOM 257 C5' DU A 9 -2.406 -1.106 27.012 1.00 0.00 C ATOM 258 C4' DU A 9 -0.980 -0.921 26.496 1.00 0.00 C ATOM 259 O4' DU A 9 -0.922 0.277 25.684 1.00 0.00 O ATOM 260 C3' DU A 9 0.001 -0.706 27.637 1.00 0.00 C ATOM 261 O3' DU A 9 1.312 -1.189 27.299 1.00 0.00 O ATOM 262 C2' DU A 9 0.001 0.784 27.822 1.00 0.00 C ATOM 263 C1' DU A 9 -0.250 1.333 26.424 1.00 0.00 C ATOM 264 N1 DU A 9 -1.064 2.579 26.439 1.00 0.00 N ATOM 265 C2 DU A 9 -2.231 2.600 27.192 1.00 0.00 C ATOM 266 O2 DU A 9 -2.610 1.636 27.852 1.00 0.00 O ATOM 267 N3 DU A 9 -2.954 3.778 27.159 1.00 0.00 N ATOM 268 C4 DU A 9 -2.626 4.922 26.456 1.00 0.00 C ATOM 269 O4 DU A 9 -3.348 5.915 26.504 1.00 0.00 O ATOM 270 C5 DU A 9 -1.400 4.816 25.702 1.00 0.00 C ATOM 271 C6 DU A 9 -0.670 3.673 25.714 1.00 0.00 C ATOM 0 H5'' DU A 9 -2.601 -0.391 27.812 1.00 0.00 H new ATOM 0 H2'' DU A 9 -0.776 1.099 28.519 1.00 0.00 H new ATOM 0 H6 DU A 9 0.251 3.623 25.134 1.00 0.00 H new ATOM 0 H5' DU A 9 -2.513 -2.102 27.442 1.00 0.00 H new ATOM 0 H5 DU A 9 -1.056 5.667 25.114 1.00 0.00 H new ATOM 0 H4' DU A 9 -0.717 -1.819 25.937 1.00 0.00 H new ATOM 0 H3' DU A 9 -0.279 -1.246 28.542 1.00 0.00 H new ATOM 0 H3 DU A 9 -3.814 3.806 27.707 1.00 0.00 H new ATOM 0 H2' DU A 9 0.951 1.136 28.223 1.00 0.00 H new ATOM 0 H1' DU A 9 0.694 1.612 25.955 1.00 0.00 H new ATOM 282 P DT A 10 1.661 -2.765 27.341 1.00 0.00 P ATOM 283 OP1 DT A 10 0.408 -3.531 27.165 1.00 0.00 O ATOM 284 OP2 DT A 10 2.513 -3.021 28.524 1.00 0.00 O ATOM 285 O5' DT A 10 2.556 -2.967 26.019 1.00 0.00 O ATOM 286 C5' DT A 10 3.956 -2.664 26.020 1.00 0.00 C ATOM 287 C4' DT A 10 4.620 -3.089 24.712 1.00 0.00 C ATOM 288 O4' DT A 10 3.959 -2.428 23.602 1.00 0.00 O ATOM 289 C3' DT A 10 6.073 -2.641 24.668 1.00 0.00 C ATOM 290 O3' DT A 10 6.884 -3.526 23.878 1.00 0.00 O ATOM 291 C2' DT A 10 6.000 -1.279 24.045 1.00 0.00 C ATOM 292 C1' DT A 10 4.816 -1.370 23.091 1.00 0.00 C ATOM 293 N1 DT A 10 4.085 -0.080 22.981 1.00 0.00 N ATOM 294 C2 DT A 10 3.596 0.500 24.141 1.00 0.00 C ATOM 295 O2 DT A 10 3.749 -0.007 25.248 1.00 0.00 O ATOM 296 N3 DT A 10 2.925 1.697 23.985 1.00 0.00 N ATOM 297 C4 DT A 10 2.701 2.360 22.794 1.00 0.00 C ATOM 298 C5 DT A 10 3.244 1.686 21.637 1.00 0.00 C ATOM 299 C6 DT A 10 3.904 0.515 21.759 1.00 0.00 C ATOM 300 O4 DT A 10 2.086 3.424 22.776 1.00 0.00 O ATOM 313 C7 DT A 10 3.063 2.308 20.255 1.00 0.00 C ATOM 0 H5' DT A 10 4.439 -3.170 26.856 1.00 0.00 H new ATOM 0 H5'' DT A 10 4.098 -1.594 26.171 1.00 0.00 H new ATOM 0 H4' DT A 10 4.551 -4.175 24.646 1.00 0.00 H new ATOM 0 H3' DT A 10 6.536 -2.639 25.655 1.00 0.00 H new ATOM 0 H2' DT A 10 5.848 -0.504 24.797 1.00 0.00 H new ATOM 0 H2'' DT A 10 6.920 -1.033 23.516 1.00 0.00 H new ATOM 0 H1' DT A 10 5.156 -1.594 22.080 1.00 0.00 H new ATOM 0 H3 DT A 10 2.559 2.134 24.831 1.00 0.00 H new ATOM 0 H71 DT A 10 2.135 2.880 20.232 1.00 0.00 H new ATOM 0 H72 DT A 10 3.903 2.969 20.041 1.00 0.00 H new ATOM 0 H73 DT A 10 3.021 1.519 19.504 1.00 0.00 H new ATOM 0 H6 DT A 10 4.298 0.036 20.875 1.00 0.00 H new ATOM 314 P DT A 11 7.059 -5.080 24.276 1.00 0.00 P ATOM 315 OP1 DT A 11 7.148 -5.175 25.752 1.00 0.00 O ATOM 316 OP2 DT A 11 8.129 -5.653 23.431 1.00 0.00 O ATOM 317 O5' DT A 11 5.659 -5.716 23.802 1.00 0.00 O ATOM 318 C5' DT A 11 5.101 -6.846 24.475 1.00 0.00 C ATOM 319 C4' DT A 11 5.457 -8.144 23.760 1.00 0.00 C ATOM 320 O4' DT A 11 5.173 -9.266 24.631 1.00 0.00 O ATOM 321 C3' DT A 11 4.604 -8.345 22.523 1.00 0.00 C ATOM 322 O3' DT A 11 5.309 -9.079 21.515 1.00 0.00 O ATOM 323 C2' DT A 11 3.417 -9.103 23.033 1.00 0.00 C ATOM 324 C1' DT A 11 3.965 -9.938 24.175 1.00 0.00 C ATOM 325 N1 DT A 11 2.973 -10.052 25.269 1.00 0.00 N ATOM 326 C2 DT A 11 2.013 -11.039 25.166 1.00 0.00 C ATOM 327 O2 DT A 11 1.966 -11.807 24.211 1.00 0.00 O ATOM 328 N3 DT A 11 1.101 -11.111 26.203 1.00 0.00 N ATOM 329 C4 DT A 11 1.063 -10.297 27.319 1.00 0.00 C ATOM 330 C5 DT A 11 2.103 -9.293 27.344 1.00 0.00 C ATOM 331 C6 DT A 11 3.006 -9.203 26.342 1.00 0.00 C ATOM 332 O4 DT A 11 0.202 -10.458 28.183 1.00 0.00 O ATOM 345 C7 DT A 11 2.182 -8.320 28.519 1.00 0.00 C ATOM 0 H5' DT A 11 4.017 -6.742 24.528 1.00 0.00 H new ATOM 0 H5'' DT A 11 5.469 -6.880 25.501 1.00 0.00 H new ATOM 0 H4' DT A 11 6.511 -8.085 23.490 1.00 0.00 H new ATOM 0 H3' DT A 11 4.326 -7.407 22.043 1.00 0.00 H new ATOM 0 H2' DT A 11 2.632 -8.429 23.375 1.00 0.00 H new ATOM 0 H2'' DT A 11 2.982 -9.730 22.255 1.00 0.00 H new ATOM 0 H1' DT A 11 4.184 -10.955 23.850 1.00 0.00 H new ATOM 0 H3 DT A 11 0.386 -11.836 26.138 1.00 0.00 H new ATOM 0 H71 DT A 11 3.219 -8.025 28.678 1.00 0.00 H new ATOM 0 H72 DT A 11 1.583 -7.436 28.300 1.00 0.00 H new ATOM 0 H73 DT A 11 1.800 -8.804 29.418 1.00 0.00 H new ATOM 0 H6 DT A 11 3.772 -8.443 26.389 1.00 0.00 H new ATOM 346 P DG A 12 6.489 -8.384 20.663 1.00 0.00 P ATOM 347 OP1 DG A 12 7.701 -9.226 20.782 1.00 0.00 O ATOM 348 OP2 DG A 12 6.548 -6.946 21.012 1.00 0.00 O ATOM 349 O5' DG A 12 5.947 -8.512 19.150 1.00 0.00 O ATOM 350 C5' DG A 12 4.835 -7.734 18.691 1.00 0.00 C ATOM 351 C4' DG A 12 3.505 -8.288 19.207 1.00 0.00 C ATOM 352 O4' DG A 12 3.022 -7.440 20.275 1.00 0.00 O ATOM 353 C3' DG A 12 2.435 -8.264 18.129 1.00 0.00 C ATOM 354 O3' DG A 12 1.467 -9.307 18.318 1.00 0.00 O ATOM 355 C2' DG A 12 1.809 -6.913 18.293 1.00 0.00 C ATOM 356 C1' DG A 12 1.924 -6.628 19.783 1.00 0.00 C ATOM 357 N9 DG A 12 2.165 -5.193 20.019 1.00 0.00 N ATOM 358 C8 DG A 12 3.301 -4.544 20.386 1.00 0.00 C ATOM 359 N7 DG A 12 3.237 -3.256 20.525 1.00 0.00 N ATOM 360 C5 DG A 12 1.895 -3.006 20.211 1.00 0.00 C ATOM 361 C6 DG A 12 1.167 -1.781 20.158 1.00 0.00 C ATOM 362 O6 DG A 12 1.562 -0.643 20.391 1.00 0.00 O ATOM 363 N1 DG A 12 -0.161 -1.987 19.795 1.00 0.00 N ATOM 364 C2 DG A 12 -0.725 -3.211 19.513 1.00 0.00 C ATOM 365 N2 DG A 12 -2.016 -3.211 19.184 1.00 0.00 N ATOM 366 N3 DG A 12 -0.054 -4.360 19.552 1.00 0.00 N ATOM 367 C4 DG A 12 1.239 -4.190 19.904 1.00 0.00 C ATOM 0 H5' DG A 12 4.825 -7.721 17.601 1.00 0.00 H new ATOM 0 H5'' DG A 12 4.952 -6.702 19.021 1.00 0.00 H new ATOM 0 H4' DG A 12 3.685 -9.312 19.535 1.00 0.00 H new ATOM 0 H3' DG A 12 2.842 -8.431 17.132 1.00 0.00 H new ATOM 0 H2' DG A 12 2.328 -6.159 17.702 1.00 0.00 H new ATOM 0 H2'' DG A 12 0.769 -6.913 17.966 1.00 0.00 H new ATOM 0 H1' DG A 12 1.001 -6.876 20.308 1.00 0.00 H new ATOM 0 H8 DG A 12 4.223 -5.081 20.556 1.00 0.00 H new ATOM 0 H1 DG A 12 -0.764 -1.167 19.733 1.00 0.00 H new ATOM 0 H21 DG A 12 -2.486 -4.089 18.965 1.00 0.00 H new ATOM 0 H22 DG A 12 -2.534 -2.333 19.151 1.00 0.00 H new ATOM 379 P DG A 13 0.441 -9.705 17.137 1.00 0.00 P ATOM 380 OP1 DG A 13 -0.407 -10.818 17.617 1.00 0.00 O ATOM 381 OP2 DG A 13 1.211 -9.853 15.883 1.00 0.00 O ATOM 382 O5' DG A 13 -0.481 -8.391 17.013 1.00 0.00 O ATOM 383 C5' DG A 13 -1.515 -8.135 17.972 1.00 0.00 C ATOM 384 C4' DG A 13 -2.796 -7.609 17.320 1.00 0.00 C ATOM 385 O4' DG A 13 -2.842 -6.166 17.441 1.00 0.00 O ATOM 386 C3' DG A 13 -2.834 -7.906 15.833 1.00 0.00 C ATOM 387 O3' DG A 13 -4.190 -8.062 15.383 1.00 0.00 O ATOM 388 C2' DG A 13 -2.174 -6.705 15.225 1.00 0.00 C ATOM 389 C1' DG A 13 -2.547 -5.564 16.152 1.00 0.00 C ATOM 390 N9 DG A 13 -1.453 -4.570 16.264 1.00 0.00 N ATOM 391 C8 DG A 13 -0.109 -4.762 16.329 1.00 0.00 C ATOM 392 N7 DG A 13 0.643 -3.718 16.432 1.00 0.00 N ATOM 393 C5 DG A 13 -0.305 -2.693 16.439 1.00 0.00 C ATOM 394 C6 DG A 13 -0.128 -1.284 16.529 1.00 0.00 C ATOM 395 O6 DG A 13 0.918 -0.645 16.624 1.00 0.00 O ATOM 396 N1 DG A 13 -1.347 -0.615 16.501 1.00 0.00 N ATOM 397 C2 DG A 13 -2.583 -1.208 16.399 1.00 0.00 C ATOM 398 N2 DG A 13 -3.630 -0.387 16.398 1.00 0.00 N ATOM 399 N3 DG A 13 -2.765 -2.527 16.311 1.00 0.00 N ATOM 400 C4 DG A 13 -1.591 -3.207 16.337 1.00 0.00 C ATOM 0 H5' DG A 13 -1.158 -7.409 18.703 1.00 0.00 H new ATOM 0 H5'' DG A 13 -1.738 -9.053 18.516 1.00 0.00 H new ATOM 0 H4' DG A 13 -3.630 -8.097 17.824 1.00 0.00 H new ATOM 0 H3' DG A 13 -2.334 -8.835 15.559 1.00 0.00 H new ATOM 0 H2' DG A 13 -1.093 -6.832 15.166 1.00 0.00 H new ATOM 0 H2'' DG A 13 -2.530 -6.526 14.210 1.00 0.00 H new ATOM 0 H1' DG A 13 -3.407 -5.018 15.765 1.00 0.00 H new ATOM 0 H8 DG A 13 0.315 -5.755 16.296 1.00 0.00 H new ATOM 0 H1 DG A 13 -1.322 0.403 16.561 1.00 0.00 H new ATOM 0 H21 DG A 13 -4.575 -0.765 16.325 1.00 0.00 H new ATOM 0 H22 DG A 13 -3.488 0.620 16.470 1.00 0.00 H new ATOM 412 P DA A 14 -4.569 -8.073 13.818 1.00 0.00 P ATOM 413 OP1 DA A 14 -5.733 -8.967 13.634 1.00 0.00 O ATOM 414 OP2 DA A 14 -3.334 -8.299 13.034 1.00 0.00 O ATOM 415 O5' DA A 14 -5.053 -6.559 13.566 1.00 0.00 O ATOM 416 C5' DA A 14 -5.950 -5.924 14.483 1.00 0.00 C ATOM 417 C4' DA A 14 -6.597 -4.673 13.888 1.00 0.00 C ATOM 418 O4' DA A 14 -5.723 -3.535 14.093 1.00 0.00 O ATOM 419 C3' DA A 14 -6.775 -4.802 12.386 1.00 0.00 C ATOM 420 O3' DA A 14 -7.917 -4.052 11.942 1.00 0.00 O ATOM 421 C2' DA A 14 -5.492 -4.249 11.835 1.00 0.00 C ATOM 422 C1' DA A 14 -5.095 -3.173 12.835 1.00 0.00 C ATOM 423 N9 DA A 14 -3.627 -3.058 12.981 1.00 0.00 N ATOM 424 C8 DA A 14 -2.671 -4.022 13.017 1.00 0.00 C ATOM 425 N7 DA A 14 -1.440 -3.638 13.157 1.00 0.00 N ATOM 426 C5 DA A 14 -1.586 -2.248 13.226 1.00 0.00 C ATOM 427 C6 DA A 14 -0.667 -1.194 13.365 1.00 0.00 C ATOM 428 N6 DA A 14 0.645 -1.380 13.493 1.00 0.00 N ATOM 429 N1 DA A 14 -1.160 0.060 13.387 1.00 0.00 N ATOM 430 C2 DA A 14 -2.473 0.273 13.277 1.00 0.00 C ATOM 431 N3 DA A 14 -3.425 -0.644 13.139 1.00 0.00 N ATOM 432 C4 DA A 14 -2.913 -1.891 13.119 1.00 0.00 C ATOM 0 H5' DA A 14 -5.409 -5.654 15.390 1.00 0.00 H new ATOM 0 H5'' DA A 14 -6.728 -6.629 14.774 1.00 0.00 H new ATOM 0 H4' DA A 14 -7.564 -4.547 14.376 1.00 0.00 H new ATOM 0 H3' DA A 14 -6.960 -5.825 12.057 1.00 0.00 H new ATOM 0 H2' DA A 14 -4.727 -5.021 11.755 1.00 0.00 H new ATOM 0 H2'' DA A 14 -5.632 -3.834 10.837 1.00 0.00 H new ATOM 0 H1' DA A 14 -5.428 -2.193 12.492 1.00 0.00 H new ATOM 0 H8 DA A 14 -2.926 -5.068 12.932 1.00 0.00 H new ATOM 0 H61 DA A 14 1.267 -0.577 13.591 1.00 0.00 H new ATOM 0 H62 DA A 14 1.028 -2.325 13.493 1.00 0.00 H new ATOM 0 H2 DA A 14 -2.797 1.303 13.303 1.00 0.00 H new ATOM 444 P DT A 15 -8.137 -3.702 10.386 1.00 0.00 P ATOM 445 OP1 DT A 15 -9.593 -3.629 10.130 1.00 0.00 O ATOM 446 OP2 DT A 15 -7.289 -4.607 9.578 1.00 0.00 O ATOM 447 O5' DT A 15 -7.529 -2.216 10.274 1.00 0.00 O ATOM 448 C5' DT A 15 -7.836 -1.231 11.267 1.00 0.00 C ATOM 449 C4' DT A 15 -7.657 0.193 10.745 1.00 0.00 C ATOM 450 O4' DT A 15 -6.275 0.598 10.927 1.00 0.00 O ATOM 451 C3' DT A 15 -7.930 0.267 9.253 1.00 0.00 C ATOM 452 O3' DT A 15 -8.441 1.563 8.893 1.00 0.00 O ATOM 453 C2' DT A 15 -6.580 0.002 8.647 1.00 0.00 C ATOM 454 C1' DT A 15 -5.603 0.609 9.642 1.00 0.00 C ATOM 455 N1 DT A 15 -4.304 -0.114 9.684 1.00 0.00 N ATOM 456 C2 DT A 15 -3.161 0.661 9.794 1.00 0.00 C ATOM 457 O2 DT A 15 -3.204 1.886 9.867 1.00 0.00 O ATOM 458 N3 DT A 15 -1.960 -0.023 9.819 1.00 0.00 N ATOM 459 C4 DT A 15 -1.799 -1.395 9.743 1.00 0.00 C ATOM 460 C5 DT A 15 -3.044 -2.129 9.628 1.00 0.00 C ATOM 461 C6 DT A 15 -4.231 -1.482 9.606 1.00 0.00 C ATOM 462 O4 DT A 15 -0.675 -1.893 9.776 1.00 0.00 O ATOM 475 C7 DT A 15 -3.016 -3.658 9.513 1.00 0.00 C ATOM 0 H5' DT A 15 -7.194 -1.381 12.135 1.00 0.00 H new ATOM 0 H5'' DT A 15 -8.864 -1.366 11.604 1.00 0.00 H new ATOM 0 H4' DT A 15 -8.350 0.833 11.290 1.00 0.00 H new ATOM 0 H3' DT A 15 -8.685 -0.439 8.909 1.00 0.00 H new ATOM 0 H2' DT A 15 -6.404 -1.066 8.516 1.00 0.00 H new ATOM 0 H2'' DT A 15 -6.486 0.463 7.664 1.00 0.00 H new ATOM 0 H1' DT A 15 -5.339 1.624 9.346 1.00 0.00 H new ATOM 0 H3 DT A 15 -1.112 0.537 9.901 1.00 0.00 H new ATOM 0 H71 DT A 15 -2.096 -3.969 9.017 1.00 0.00 H new ATOM 0 H72 DT A 15 -3.058 -4.099 10.509 1.00 0.00 H new ATOM 0 H73 DT A 15 -3.874 -3.995 8.931 1.00 0.00 H new ATOM 0 H6 DT A 15 -5.143 -2.055 9.525 1.00 0.00 H new ATOM 476 P DC A 16 -8.502 2.052 7.358 1.00 0.00 P ATOM 477 OP1 DC A 16 -9.673 2.943 7.197 1.00 0.00 O ATOM 478 OP2 DC A 16 -8.348 0.870 6.480 1.00 0.00 O ATOM 479 O5' DC A 16 -7.174 2.948 7.229 1.00 0.00 O ATOM 480 C5' DC A 16 -6.860 3.928 8.225 1.00 0.00 C ATOM 481 C4' DC A 16 -5.836 4.943 7.724 1.00 0.00 C ATOM 482 O4' DC A 16 -4.500 4.401 7.880 1.00 0.00 O ATOM 483 C3' DC A 16 -6.006 5.211 6.243 1.00 0.00 C ATOM 484 O3' DC A 16 -5.599 6.546 5.918 1.00 0.00 O ATOM 485 C2' DC A 16 -5.117 4.192 5.594 1.00 0.00 C ATOM 486 C1' DC A 16 -3.975 4.015 6.581 1.00 0.00 C ATOM 487 N1 DC A 16 -3.453 2.626 6.596 1.00 0.00 N ATOM 488 C2 DC A 16 -2.072 2.467 6.666 1.00 0.00 C ATOM 489 O2 DC A 16 -1.336 3.452 6.709 1.00 0.00 O ATOM 490 N3 DC A 16 -1.562 1.202 6.680 1.00 0.00 N ATOM 491 C4 DC A 16 -2.371 0.134 6.625 1.00 0.00 C ATOM 492 N4 DC A 16 -1.844 -1.094 6.639 1.00 0.00 N ATOM 493 C5 DC A 16 -3.793 0.292 6.551 1.00 0.00 C ATOM 494 C6 DC A 16 -4.289 1.546 6.542 1.00 0.00 C ATOM 0 H5' DC A 16 -6.473 3.430 9.114 1.00 0.00 H new ATOM 0 H5'' DC A 16 -7.771 4.448 8.522 1.00 0.00 H new ATOM 0 H4' DC A 16 -5.983 5.857 8.299 1.00 0.00 H new ATOM 0 H3' DC A 16 -7.041 5.132 5.910 1.00 0.00 H new ATOM 0 H2' DC A 16 -5.645 3.254 5.422 1.00 0.00 H new ATOM 0 H2'' DC A 16 -4.757 4.537 4.625 1.00 0.00 H new ATOM 0 H1' DC A 16 -3.124 4.634 6.296 1.00 0.00 H new ATOM 0 H41 DC A 16 -2.453 -1.911 6.597 1.00 0.00 H new ATOM 0 H42 DC A 16 -0.832 -1.214 6.691 1.00 0.00 H new ATOM 0 H5 DC A 16 -4.447 -0.566 6.504 1.00 0.00 H new ATOM 0 H6 DC A 16 -5.357 1.698 6.492 1.00 0.00 H new ATOM 506 P DC A 17 -5.693 7.094 4.410 1.00 0.00 P ATOM 507 OP1 DC A 17 -6.271 8.456 4.452 1.00 0.00 O ATOM 508 OP2 DC A 17 -6.324 6.049 3.574 1.00 0.00 O ATOM 509 O5' DC A 17 -4.143 7.210 3.984 1.00 0.00 O ATOM 510 C5' DC A 17 -3.529 8.490 3.793 1.00 0.00 C ATOM 511 C4' DC A 17 -2.006 8.431 3.936 1.00 0.00 C ATOM 512 O4' DC A 17 -1.611 7.118 4.412 1.00 0.00 O ATOM 513 C3' DC A 17 -1.321 8.613 2.593 1.00 0.00 C ATOM 514 O3' DC A 17 -0.029 9.225 2.753 1.00 0.00 O ATOM 515 C2' DC A 17 -1.207 7.214 2.071 1.00 0.00 C ATOM 516 C1' DC A 17 -1.024 6.369 3.318 1.00 0.00 C ATOM 517 N1 DC A 17 -1.648 5.036 3.164 1.00 0.00 N ATOM 518 C2 DC A 17 -0.809 3.936 3.261 1.00 0.00 C ATOM 519 O2 DC A 17 0.390 4.096 3.472 1.00 0.00 O ATOM 520 N3 DC A 17 -1.344 2.691 3.117 1.00 0.00 N ATOM 521 C4 DC A 17 -2.656 2.533 2.885 1.00 0.00 C ATOM 522 N4 DC A 17 -3.155 1.304 2.743 1.00 0.00 N ATOM 523 C5 DC A 17 -3.528 3.667 2.787 1.00 0.00 C ATOM 524 C6 DC A 17 -2.986 4.894 2.931 1.00 0.00 C ATOM 0 H5' DC A 17 -3.933 9.196 4.519 1.00 0.00 H new ATOM 0 H5'' DC A 17 -3.784 8.869 2.803 1.00 0.00 H new ATOM 0 H4' DC A 17 -1.717 9.224 4.626 1.00 0.00 H new ATOM 0 H3' DC A 17 -1.868 9.270 1.917 1.00 0.00 H new ATOM 0 H2' DC A 17 -2.099 6.921 1.518 1.00 0.00 H new ATOM 0 H2'' DC A 17 -0.362 7.110 1.391 1.00 0.00 H new ATOM 0 H1' DC A 17 0.032 6.177 3.509 1.00 0.00 H new ATOM 0 H41 DC A 17 -4.151 1.175 2.566 1.00 0.00 H new ATOM 0 H42 DC A 17 -2.540 0.493 2.811 1.00 0.00 H new ATOM 0 H5 DC A 17 -4.585 3.543 2.604 1.00 0.00 H new ATOM 0 H6 DC A 17 -3.614 5.770 2.862 1.00 0.00 H new ATOM 536 P DT A 18 0.933 9.510 1.488 1.00 0.00 P ATOM 537 OP1 DT A 18 1.245 10.956 1.457 1.00 0.00 O ATOM 538 OP2 DT A 18 0.348 8.856 0.297 1.00 0.00 O ATOM 539 O5' DT A 18 2.281 8.716 1.880 1.00 0.00 O ATOM 540 C5' DT A 18 2.213 7.457 2.555 1.00 0.00 C ATOM 541 C4' DT A 18 3.501 6.644 2.407 1.00 0.00 C ATOM 542 O4' DT A 18 3.166 5.234 2.404 1.00 0.00 O ATOM 543 C3' DT A 18 4.193 6.915 1.081 1.00 0.00 C ATOM 544 O3' DT A 18 5.615 6.743 1.189 1.00 0.00 O ATOM 545 C2' DT A 18 3.589 5.903 0.157 1.00 0.00 C ATOM 546 C1' DT A 18 3.282 4.713 1.053 1.00 0.00 C ATOM 547 N1 DT A 18 2.036 4.015 0.642 1.00 0.00 N ATOM 548 C2 DT A 18 2.071 2.632 0.605 1.00 0.00 C ATOM 549 O2 DT A 18 3.081 1.993 0.889 1.00 0.00 O ATOM 550 N3 DT A 18 0.901 2.001 0.233 1.00 0.00 N ATOM 551 C4 DT A 18 -0.288 2.618 -0.104 1.00 0.00 C ATOM 552 C5 DT A 18 -0.241 4.061 -0.040 1.00 0.00 C ATOM 553 C6 DT A 18 0.892 4.706 0.323 1.00 0.00 C ATOM 554 O4 DT A 18 -1.269 1.950 -0.423 1.00 0.00 O ATOM 568 C7 DT A 18 -1.489 4.865 -0.387 1.00 0.00 C ATOM 0 H5' DT A 18 1.376 6.881 2.160 1.00 0.00 H new ATOM 0 H5'' DT A 18 2.013 7.626 3.613 1.00 0.00 H new ATOM 0 H4' DT A 18 4.156 6.923 3.232 1.00 0.00 H new ATOM 0 H3' DT A 18 4.055 7.939 0.733 1.00 0.00 H new ATOM 0 H2' DT A 18 2.686 6.287 -0.318 1.00 0.00 H new ATOM 0 H2'' DT A 18 4.279 5.632 -0.642 1.00 0.00 H new ATOM 0 HO3' DT A 18 6.033 6.922 0.321 1.00 0.00 H new ATOM 0 H1' DT A 18 4.076 3.969 0.982 1.00 0.00 H new ATOM 0 H3 DT A 18 0.916 0.982 0.204 1.00 0.00 H new ATOM 0 H71 DT A 18 -2.082 4.318 -1.121 1.00 0.00 H new ATOM 0 H72 DT A 18 -2.082 5.023 0.514 1.00 0.00 H new ATOM 0 H73 DT A 18 -1.197 5.829 -0.803 1.00 0.00 H new ATOM 0 H6 DT A 18 0.897 5.785 0.363 1.00 0.00 H new TER 569 DT A 18 END