USER MOD reduce.3.24.130724 H: found=0, std=0, add=190, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 190 hydrogens (28 hets) HEADER DNA 28-JUL-97 1BAE TITLE STRUCTURE OF DNA (5'-D 5MCCTTTACC-3')2, NMR, 1 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*MCYP*CP*TP*TP*TP*AP*CP*C)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: I-MOTIF DIMER FORMED BY TWO D(5MCCTTTACC) COMPND 6 STRANDS SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS DEOXYRIBONUCLEIC ACID, DNA DIMER OF 5MCCTTTACC, I-MOTIF, KEYWDS 2 DIMER, NMR EXPDTA SOLUTION NMR AUTHOR S.NONIN,A.P.TUAN,J.L.LEROY REVDAT 2 24-FEB-09 1BAE 1 VERSN REVDAT 1 14-JAN-98 1BAE 0 JRNL AUTH S.NONIN,A.T.PHAN,J.L.LEROY JRNL TITL SOLUTION STRUCTURE AND BASE PAIR OPENING KINETICS JRNL TITL 2 OF THE I-MOTIF DIMER OF D(5MCCTTTACC): A JRNL TITL 3 NONCANONICAL STRUCTURE WITH POSSIBLE ROLES IN JRNL TITL 4 CHROMOSOME STABILITY. JRNL REF STRUCTURE V. 5 1231 1997 JRNL REFN ISSN 0969-2126 JRNL PMID 9331414 JRNL DOI 10.1016/S0969-2126(97)00273-6 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.NONIN,J.L.LEROY REMARK 1 TITL STRUCTURE AND CONVERSION KINETICS OF A BI-STABLE REMARK 1 TITL 2 DNA I-MOTIF: BROKEN SYMMETRY IN THE [D(5MCCTCC)]4 REMARK 1 TITL 3 TETRAMER REMARK 1 REF J.MOL.BIOL. V. 261 399 1996 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH J.L.LEROY,M.GUERON REMARK 1 TITL SOLUTION STRUCTURES OF THE I-MOTIF TETRAMERS OF REMARK 1 TITL 2 D(TCC), D(5METHYLCCT) AND D(T5METHYLCC): NOVEL NOE REMARK 1 TITL 3 CONNECTIONS BETWEEN AMINO PROTONS AND SUGAR PROTONS REMARK 1 REF STRUCTURE V. 3 101 1995 REMARK 1 REFN ISSN 0969-2126 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: NULL REMARK 4 REMARK 4 1BAE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 270 REMARK 210 PH : 4.3 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 8.5 MHZ REMARK 210 SPECTROMETER MODEL : HOME BUILT REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY RELATED TO NOE REMARK 210 VIOLATIONS 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 A 2 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DT A 3 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT A 4 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DT A 5 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA A 6 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DA A 6 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DC A 7 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES REMARK 500 DC A 8 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DC B 2 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DT B 3 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT B 4 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DT B 5 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA B 6 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DA B 6 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DC B 7 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES REMARK 500 DC B 8 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL DBREF 1BAE A 1 8 PDB 1BAE 1BAE 1 8 DBREF 1BAE B 1 8 PDB 1BAE 1BAE 1 8 SEQRES 1 A 8 MCY DC DT DT DT DA DC DC SEQRES 1 B 8 MCY DC DT DT DT DA DC DC MODRES 1BAE MCY A 1 DC 5-METHYL-2'-DEOXYCYTIDINE MODRES 1BAE MCY B 1 DC 5-METHYL-2'-DEOXYCYTIDINE HET MCY A 1 31 HET MCY B 1 31 HETNAM MCY 5-METHYL-2'-DEOXYCYTIDINE FORMUL 1 MCY 2(C10 H15 N3 O4) LINK O3' MCY A 1 P DC A 2 1555 1555 1.61 LINK O3' MCY B 1 P DC B 2 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 Set 1.1: B 4 DT C7 :methyl 150:sc= -0.533 (180deg=0) USER MOD Set 1.2: B 5 DT C7 :methyl -30:sc= -4.86! (180deg=-5.02!) USER MOD Set 2.1: A 4 DT C7 :methyl 150:sc= -0.539 (180deg=0) USER MOD Set 2.2: A 5 DT C7 :methyl -30:sc= -4.89! (180deg=-4.95!) USER MOD Single : A 1 MCY O5' : rot 180:sc= -1.36! USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.0024 (180deg=-0.0024) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 MCY O5' : rot 180:sc= -1.33! USER MOD Single : B 3 DT C7 :methyl 150:sc=-0.000696 (180deg=-0.000696) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 MCY A 1 1.371 -2.857 -2.167 1.00 0.00 N HETATM 2 C2 MCY A 1 1.406 -2.042 -1.057 1.00 0.00 C HETATM 3 N3 MCY A 1 1.370 -0.700 -1.261 1.00 0.00 N HETATM 4 C4 MCY A 1 1.305 -0.178 -2.499 1.00 0.00 C HETATM 5 C5 MCY A 1 1.275 -0.990 -3.580 1.00 0.00 C HETATM 6 C6 MCY A 1 1.310 -2.321 -3.412 1.00 0.00 C HETATM 7 O2 MCY A 1 1.472 -2.524 0.072 1.00 0.00 O HETATM 8 N4 MCY A 1 1.260 1.146 -2.651 1.00 0.00 N HETATM 9 C1' MCY A 1 1.359 -4.320 -1.953 1.00 0.00 C HETATM 10 C2' MCY A 1 -0.037 -4.873 -2.178 1.00 0.00 C HETATM 11 C3' MCY A 1 0.047 -5.804 -3.359 1.00 0.00 C HETATM 12 C4' MCY A 1 1.531 -5.972 -3.650 1.00 0.00 C HETATM 13 O4' MCY A 1 2.254 -4.994 -2.868 1.00 0.00 O HETATM 14 O3' MCY A 1 -0.574 -7.063 -3.069 1.00 0.00 O HETATM 15 C5' MCY A 1 1.815 -5.791 -5.140 1.00 0.00 C HETATM 16 O5' MCY A 1 1.540 -4.455 -5.569 1.00 0.00 O HETATM 17 C5A MCY A 1 1.197 -0.397 -4.985 1.00 0.00 C HETATM 0 HO5' MCY A 1 1.734 -4.372 -6.526 1.00 0.00 H new HETATM 0 HN42 MCY A 1 1.211 1.551 -3.586 1.00 0.00 H new HETATM 0 HN41 MCY A 1 1.275 1.754 -1.832 1.00 0.00 H new HETATM 0 H5A3 MCY A 1 0.288 0.197 -5.079 1.00 0.00 H new HETATM 0 H5A2 MCY A 1 2.065 0.239 -5.160 1.00 0.00 H new HETATM 0 H5A1 MCY A 1 1.183 -1.202 -5.720 1.00 0.00 H new HETATM 0 H5'' MCY A 1 2.858 -6.032 -5.344 1.00 0.00 H new HETATM 0 H2'' MCY A 1 -0.390 -5.403 -1.293 1.00 0.00 H new HETATM 0 H6 MCY A 1 1.289 -2.977 -4.283 1.00 0.00 H new HETATM 0 H5' MCY A 1 1.208 -6.491 -5.714 1.00 0.00 H new HETATM 0 H4' MCY A 1 1.853 -6.978 -3.380 1.00 0.00 H new HETATM 0 H3' MCY A 1 -0.481 -5.401 -4.223 1.00 0.00 H new HETATM 0 H2' MCY A 1 -0.745 -4.067 -2.371 1.00 0.00 H new HETATM 0 H1' MCY A 1 1.683 -4.497 -0.927 1.00 0.00 H new ATOM 32 P DC A 2 -2.179 -7.210 -3.105 1.00 0.00 P ATOM 33 OP1 DC A 2 -2.528 -8.579 -2.668 1.00 0.00 O ATOM 34 OP2 DC A 2 -2.662 -6.705 -4.411 1.00 0.00 O ATOM 35 O5' DC A 2 -2.651 -6.179 -1.961 1.00 0.00 O ATOM 36 C5' DC A 2 -4.041 -5.960 -1.696 1.00 0.00 C ATOM 37 C4' DC A 2 -4.297 -5.765 -0.204 1.00 0.00 C ATOM 38 O4' DC A 2 -3.638 -4.574 0.278 1.00 0.00 O ATOM 39 C3' DC A 2 -5.785 -5.633 0.089 1.00 0.00 C ATOM 40 O3' DC A 2 -6.298 -6.829 0.692 1.00 0.00 O ATOM 41 C2' DC A 2 -5.914 -4.451 1.013 1.00 0.00 C ATOM 42 C1' DC A 2 -4.572 -3.735 0.992 1.00 0.00 C ATOM 43 N1 DC A 2 -4.701 -2.422 0.330 1.00 0.00 N ATOM 44 C2 DC A 2 -4.528 -1.286 1.106 1.00 0.00 C ATOM 45 O2 DC A 2 -4.269 -1.387 2.304 1.00 0.00 O ATOM 46 N3 DC A 2 -4.660 -0.073 0.507 1.00 0.00 N ATOM 47 C4 DC A 2 -4.949 0.027 -0.796 1.00 0.00 C ATOM 48 N4 DC A 2 -5.063 1.237 -1.344 1.00 0.00 N ATOM 49 C5 DC A 2 -5.130 -1.143 -1.599 1.00 0.00 C ATOM 50 C6 DC A 2 -4.995 -2.337 -1.000 1.00 0.00 C ATOM 0 H5' DC A 2 -4.621 -6.809 -2.059 1.00 0.00 H new ATOM 0 H5'' DC A 2 -4.384 -5.082 -2.244 1.00 0.00 H new ATOM 0 H4' DC A 2 -3.900 -6.645 0.303 1.00 0.00 H new ATOM 0 H3' DC A 2 -6.364 -5.486 -0.823 1.00 0.00 H new ATOM 0 H2' DC A 2 -6.713 -3.787 0.683 1.00 0.00 H new ATOM 0 H2'' DC A 2 -6.165 -4.774 2.023 1.00 0.00 H new ATOM 0 H1' DC A 2 -4.219 -3.558 2.008 1.00 0.00 H new ATOM 0 H41 DC A 2 -5.283 1.329 -2.336 1.00 0.00 H new ATOM 0 H42 DC A 2 -4.930 2.071 -0.771 1.00 0.00 H new ATOM 0 H5 DC A 2 -5.367 -1.068 -2.650 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.121 -3.241 -1.578 1.00 0.00 H new ATOM 62 P DT A 3 -7.813 -6.912 1.247 1.00 0.00 P ATOM 63 OP1 DT A 3 -7.783 -6.667 2.706 1.00 0.00 O ATOM 64 OP2 DT A 3 -8.427 -8.153 0.722 1.00 0.00 O ATOM 65 O5' DT A 3 -8.535 -5.653 0.540 1.00 0.00 O ATOM 66 C5' DT A 3 -9.819 -5.800 -0.075 1.00 0.00 C ATOM 67 C4' DT A 3 -10.598 -4.485 -0.093 1.00 0.00 C ATOM 68 O4' DT A 3 -9.764 -3.399 -0.558 1.00 0.00 O ATOM 69 C3' DT A 3 -11.800 -4.591 -1.027 1.00 0.00 C ATOM 70 O3' DT A 3 -12.998 -4.138 -0.375 1.00 0.00 O ATOM 71 C2' DT A 3 -11.464 -3.718 -2.211 1.00 0.00 C ATOM 72 C1' DT A 3 -10.301 -2.841 -1.778 1.00 0.00 C ATOM 73 N1 DT A 3 -9.265 -2.774 -2.830 1.00 0.00 N ATOM 74 C2 DT A 3 -9.177 -1.605 -3.568 1.00 0.00 C ATOM 75 O2 DT A 3 -9.926 -0.648 -3.375 1.00 0.00 O ATOM 76 N3 DT A 3 -8.194 -1.573 -4.539 1.00 0.00 N ATOM 77 C4 DT A 3 -7.306 -2.592 -4.832 1.00 0.00 C ATOM 78 O4 DT A 3 -6.468 -2.454 -5.723 1.00 0.00 O ATOM 79 C5 DT A 3 -7.472 -3.772 -4.013 1.00 0.00 C ATOM 80 C7 DT A 3 -6.556 -4.973 -4.228 1.00 0.00 C ATOM 81 C6 DT A 3 -8.424 -3.828 -3.059 1.00 0.00 C ATOM 0 H5' DT A 3 -10.394 -6.555 0.462 1.00 0.00 H new ATOM 0 H5'' DT A 3 -9.693 -6.161 -1.096 1.00 0.00 H new ATOM 0 H4' DT A 3 -10.928 -4.287 0.927 1.00 0.00 H new ATOM 0 H3' DT A 3 -11.989 -5.621 -1.328 1.00 0.00 H new ATOM 0 H2' DT A 3 -11.193 -4.323 -3.076 1.00 0.00 H new ATOM 0 H2'' DT A 3 -12.321 -3.111 -2.502 1.00 0.00 H new ATOM 0 H1' DT A 3 -10.643 -1.820 -1.608 1.00 0.00 H new ATOM 0 H3 DT A 3 -8.116 -0.719 -5.091 1.00 0.00 H new ATOM 0 H71 DT A 3 -6.427 -5.505 -3.286 1.00 0.00 H new ATOM 0 H72 DT A 3 -7.000 -5.642 -4.965 1.00 0.00 H new ATOM 0 H73 DT A 3 -5.585 -4.631 -4.587 1.00 0.00 H new ATOM 0 H6 DT A 3 -8.524 -4.724 -2.464 1.00 0.00 H new ATOM 94 P DT A 4 -13.856 -5.130 0.571 1.00 0.00 P ATOM 95 OP1 DT A 4 -12.924 -5.801 1.506 1.00 0.00 O ATOM 96 OP2 DT A 4 -14.738 -5.943 -0.297 1.00 0.00 O ATOM 97 O5' DT A 4 -14.778 -4.109 1.424 1.00 0.00 O ATOM 98 C5' DT A 4 -16.214 -4.195 1.395 1.00 0.00 C ATOM 99 C4' DT A 4 -16.838 -3.059 0.577 1.00 0.00 C ATOM 100 O4' DT A 4 -17.083 -1.894 1.404 1.00 0.00 O ATOM 101 C3' DT A 4 -15.897 -2.626 -0.525 1.00 0.00 C ATOM 102 O3' DT A 4 -16.639 -2.207 -1.684 1.00 0.00 O ATOM 103 C2' DT A 4 -15.143 -1.490 0.097 1.00 0.00 C ATOM 104 C1' DT A 4 -16.088 -0.882 1.115 1.00 0.00 C ATOM 105 N1 DT A 4 -15.385 -0.482 2.350 1.00 0.00 N ATOM 106 C2 DT A 4 -15.733 0.727 2.928 1.00 0.00 C ATOM 107 O2 DT A 4 -16.564 1.481 2.427 1.00 0.00 O ATOM 108 N3 DT A 4 -15.085 1.041 4.108 1.00 0.00 N ATOM 109 C4 DT A 4 -14.136 0.263 4.749 1.00 0.00 C ATOM 110 O4 DT A 4 -13.625 0.641 5.801 1.00 0.00 O ATOM 111 C5 DT A 4 -13.838 -0.978 4.069 1.00 0.00 C ATOM 112 C7 DT A 4 -12.814 -1.939 4.669 1.00 0.00 C ATOM 113 C6 DT A 4 -14.456 -1.303 2.916 1.00 0.00 C ATOM 0 H5' DT A 4 -16.600 -4.163 2.414 1.00 0.00 H new ATOM 0 H5'' DT A 4 -16.512 -5.154 0.971 1.00 0.00 H new ATOM 0 H4' DT A 4 -17.774 -3.439 0.168 1.00 0.00 H new ATOM 0 H3' DT A 4 -15.237 -3.419 -0.876 1.00 0.00 H new ATOM 0 H2' DT A 4 -14.227 -1.841 0.573 1.00 0.00 H new ATOM 0 H2'' DT A 4 -14.851 -0.756 -0.654 1.00 0.00 H new ATOM 0 H1' DT A 4 -16.540 0.026 0.715 1.00 0.00 H new ATOM 0 H3 DT A 4 -15.329 1.929 4.547 1.00 0.00 H new ATOM 0 H71 DT A 4 -13.072 -2.962 4.396 1.00 0.00 H new ATOM 0 H72 DT A 4 -11.822 -1.700 4.285 1.00 0.00 H new ATOM 0 H73 DT A 4 -12.816 -1.842 5.755 1.00 0.00 H new ATOM 0 H6 DT A 4 -14.209 -2.235 2.430 1.00 0.00 H new ATOM 126 P DT A 5 -15.970 -1.286 -2.827 1.00 0.00 P ATOM 127 OP1 DT A 5 -16.900 -1.230 -3.977 1.00 0.00 O ATOM 128 OP2 DT A 5 -14.573 -1.736 -3.028 1.00 0.00 O ATOM 129 O5' DT A 5 -15.942 0.169 -2.131 1.00 0.00 O ATOM 130 C5' DT A 5 -14.788 1.007 -2.243 1.00 0.00 C ATOM 131 C4' DT A 5 -14.969 2.331 -1.507 1.00 0.00 C ATOM 132 O4' DT A 5 -14.986 2.139 -0.075 1.00 0.00 O ATOM 133 C3' DT A 5 -13.820 3.270 -1.841 1.00 0.00 C ATOM 134 O3' DT A 5 -14.247 4.371 -2.657 1.00 0.00 O ATOM 135 C2' DT A 5 -13.281 3.755 -0.520 1.00 0.00 C ATOM 136 C1' DT A 5 -14.105 3.091 0.564 1.00 0.00 C ATOM 137 N1 DT A 5 -13.229 2.430 1.553 1.00 0.00 N ATOM 138 C2 DT A 5 -13.003 3.080 2.755 1.00 0.00 C ATOM 139 O2 DT A 5 -13.518 4.164 3.022 1.00 0.00 O ATOM 140 N3 DT A 5 -12.163 2.435 3.642 1.00 0.00 N ATOM 141 C4 DT A 5 -11.539 1.218 3.436 1.00 0.00 C ATOM 142 O4 DT A 5 -10.807 0.734 4.299 1.00 0.00 O ATOM 143 C5 DT A 5 -11.836 0.615 2.155 1.00 0.00 C ATOM 144 C7 DT A 5 -11.221 -0.735 1.797 1.00 0.00 C ATOM 145 C6 DT A 5 -12.653 1.226 1.274 1.00 0.00 C ATOM 0 H5' DT A 5 -14.583 1.203 -3.296 1.00 0.00 H new ATOM 0 H5'' DT A 5 -13.920 0.484 -1.841 1.00 0.00 H new ATOM 0 H4' DT A 5 -15.921 2.754 -1.826 1.00 0.00 H new ATOM 0 H3' DT A 5 -13.056 2.752 -2.421 1.00 0.00 H new ATOM 0 H2' DT A 5 -12.227 3.498 -0.416 1.00 0.00 H new ATOM 0 H2'' DT A 5 -13.353 4.840 -0.449 1.00 0.00 H new ATOM 0 H1' DT A 5 -14.691 3.833 1.106 1.00 0.00 H new ATOM 0 H3 DT A 5 -11.986 2.900 4.533 1.00 0.00 H new ATOM 0 H71 DT A 5 -10.256 -0.838 2.293 1.00 0.00 H new ATOM 0 H72 DT A 5 -11.884 -1.535 2.125 1.00 0.00 H new ATOM 0 H73 DT A 5 -11.083 -0.797 0.718 1.00 0.00 H new ATOM 0 H6 DT A 5 -12.856 0.751 0.326 1.00 0.00 H new ATOM 158 P DA A 6 -13.197 5.512 -3.122 1.00 0.00 P ATOM 159 OP1 DA A 6 -12.536 6.059 -1.914 1.00 0.00 O ATOM 160 OP2 DA A 6 -13.894 6.428 -4.052 1.00 0.00 O ATOM 161 O5' DA A 6 -12.098 4.683 -3.968 1.00 0.00 O ATOM 162 C5' DA A 6 -11.063 3.934 -3.315 1.00 0.00 C ATOM 163 C4' DA A 6 -9.898 4.818 -2.878 1.00 0.00 C ATOM 164 O4' DA A 6 -9.681 4.680 -1.458 1.00 0.00 O ATOM 165 C3' DA A 6 -8.608 4.436 -3.599 1.00 0.00 C ATOM 166 O3' DA A 6 -8.108 5.535 -4.373 1.00 0.00 O ATOM 167 C2' DA A 6 -7.632 4.049 -2.517 1.00 0.00 C ATOM 168 C1' DA A 6 -8.392 4.089 -1.200 1.00 0.00 C ATOM 169 N9 DA A 6 -8.538 2.732 -0.654 1.00 0.00 N ATOM 170 C8 DA A 6 -9.110 1.648 -1.214 1.00 0.00 C ATOM 171 N7 DA A 6 -9.063 0.536 -0.559 1.00 0.00 N ATOM 172 C5 DA A 6 -8.372 0.923 0.596 1.00 0.00 C ATOM 173 C6 DA A 6 -7.969 0.225 1.741 1.00 0.00 C ATOM 174 N6 DA A 6 -8.186 -1.080 1.917 1.00 0.00 N ATOM 175 N1 DA A 6 -7.312 0.919 2.688 1.00 0.00 N ATOM 176 C2 DA A 6 -7.064 2.220 2.521 1.00 0.00 C ATOM 177 N3 DA A 6 -7.396 2.975 1.480 1.00 0.00 N ATOM 178 C4 DA A 6 -8.052 2.260 0.546 1.00 0.00 C ATOM 0 H5' DA A 6 -10.696 3.160 -3.990 1.00 0.00 H new ATOM 0 H5'' DA A 6 -11.478 3.427 -2.444 1.00 0.00 H new ATOM 0 H4' DA A 6 -10.156 5.847 -3.129 1.00 0.00 H new ATOM 0 H3' DA A 6 -8.771 3.617 -4.300 1.00 0.00 H new ATOM 0 H2' DA A 6 -7.228 3.053 -2.700 1.00 0.00 H new ATOM 0 H2'' DA A 6 -6.787 4.737 -2.496 1.00 0.00 H new ATOM 0 H1' DA A 6 -7.850 4.680 -0.462 1.00 0.00 H new ATOM 0 H8 DA A 6 -9.592 1.707 -2.179 1.00 0.00 H new ATOM 0 H61 DA A 6 -7.871 -1.539 2.772 1.00 0.00 H new ATOM 0 H62 DA A 6 -8.667 -1.619 1.197 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.534 2.714 3.322 1.00 0.00 H new ATOM 190 P DC A 7 -6.762 5.381 -5.251 1.00 0.00 P ATOM 191 OP1 DC A 7 -6.681 6.531 -6.177 1.00 0.00 O ATOM 192 OP2 DC A 7 -6.708 4.000 -5.784 1.00 0.00 O ATOM 193 O5' DC A 7 -5.602 5.545 -4.144 1.00 0.00 O ATOM 194 C5' DC A 7 -4.398 4.773 -4.214 1.00 0.00 C ATOM 195 C4' DC A 7 -3.350 5.293 -3.231 1.00 0.00 C ATOM 196 O4' DC A 7 -3.316 4.482 -2.037 1.00 0.00 O ATOM 197 C3' DC A 7 -1.959 5.296 -3.849 1.00 0.00 C ATOM 198 O3' DC A 7 -1.464 6.631 -3.997 1.00 0.00 O ATOM 199 C2' DC A 7 -1.089 4.502 -2.910 1.00 0.00 C ATOM 200 C1' DC A 7 -2.013 3.887 -1.874 1.00 0.00 C ATOM 201 N1 DC A 7 -2.089 2.434 -2.081 1.00 0.00 N ATOM 202 C2 DC A 7 -1.709 1.602 -1.040 1.00 0.00 C ATOM 203 O2 DC A 7 -1.363 2.076 0.039 1.00 0.00 O ATOM 204 N3 DC A 7 -1.741 0.258 -1.252 1.00 0.00 N ATOM 205 C4 DC A 7 -2.127 -0.244 -2.431 1.00 0.00 C ATOM 206 N4 DC A 7 -2.142 -1.566 -2.601 1.00 0.00 N ATOM 207 C5 DC A 7 -2.521 0.618 -3.505 1.00 0.00 C ATOM 208 C6 DC A 7 -2.489 1.943 -3.282 1.00 0.00 C ATOM 0 H5' DC A 7 -3.999 4.808 -5.228 1.00 0.00 H new ATOM 0 H5'' DC A 7 -4.619 3.728 -3.995 1.00 0.00 H new ATOM 0 H4' DC A 7 -3.635 6.314 -2.979 1.00 0.00 H new ATOM 0 H3' DC A 7 -1.969 4.861 -4.848 1.00 0.00 H new ATOM 0 H2' DC A 7 -0.543 3.728 -3.449 1.00 0.00 H new ATOM 0 H2'' DC A 7 -0.347 5.143 -2.435 1.00 0.00 H new ATOM 0 H1' DC A 7 -1.640 4.071 -0.867 1.00 0.00 H new ATOM 0 H41 DC A 7 -2.434 -1.962 -3.494 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.861 -2.182 -1.838 1.00 0.00 H new ATOM 0 H5 DC A 7 -2.832 0.218 -4.459 1.00 0.00 H new ATOM 0 H6 DC A 7 -2.785 2.624 -4.066 1.00 0.00 H new ATOM 220 P DC A 8 -0.309 6.967 -5.068 1.00 0.00 P ATOM 221 OP1 DC A 8 -0.870 7.891 -6.079 1.00 0.00 O ATOM 222 OP2 DC A 8 0.313 5.694 -5.499 1.00 0.00 O ATOM 223 O5' DC A 8 0.762 7.781 -4.180 1.00 0.00 O ATOM 224 C5' DC A 8 2.157 7.463 -4.240 1.00 0.00 C ATOM 225 C4' DC A 8 2.756 7.320 -2.842 1.00 0.00 C ATOM 226 O4' DC A 8 2.473 6.012 -2.297 1.00 0.00 O ATOM 227 C3' DC A 8 4.268 7.506 -2.877 1.00 0.00 C ATOM 228 O3' DC A 8 4.654 8.684 -2.164 1.00 0.00 O ATOM 229 C2' DC A 8 4.855 6.275 -2.238 1.00 0.00 C ATOM 230 C1' DC A 8 3.696 5.350 -1.906 1.00 0.00 C ATOM 231 N1 DC A 8 3.838 4.056 -2.607 1.00 0.00 N ATOM 232 C2 DC A 8 4.039 2.919 -1.836 1.00 0.00 C ATOM 233 O2 DC A 8 4.109 3.002 -0.610 1.00 0.00 O ATOM 234 N3 DC A 8 4.166 1.723 -2.474 1.00 0.00 N ATOM 235 C4 DC A 8 4.103 1.642 -3.809 1.00 0.00 C ATOM 236 N4 DC A 8 4.234 0.453 -4.395 1.00 0.00 N ATOM 237 C5 DC A 8 3.900 2.810 -4.608 1.00 0.00 C ATOM 238 C6 DC A 8 3.773 3.989 -3.970 1.00 0.00 C ATOM 0 H5' DC A 8 2.687 8.243 -4.786 1.00 0.00 H new ATOM 0 H5'' DC A 8 2.297 6.535 -4.794 1.00 0.00 H new ATOM 0 H4' DC A 8 2.305 8.090 -2.216 1.00 0.00 H new ATOM 0 H3' DC A 8 4.627 7.631 -3.899 1.00 0.00 H new ATOM 0 H2' DC A 8 5.556 5.787 -2.915 1.00 0.00 H new ATOM 0 H2'' DC A 8 5.410 6.536 -1.337 1.00 0.00 H new ATOM 0 HO3' DC A 8 5.628 8.782 -2.198 1.00 0.00 H new ATOM 0 H1' DC A 8 3.683 5.137 -0.837 1.00 0.00 H new ATOM 0 H41 DC A 8 4.188 0.377 -5.411 1.00 0.00 H new ATOM 0 H42 DC A 8 4.380 -0.382 -3.828 1.00 0.00 H new ATOM 0 H5 DC A 8 3.850 2.749 -5.685 1.00 0.00 H new ATOM 0 H6 DC A 8 3.618 4.892 -4.542 1.00 0.00 H new TER 251 DC A 8 HETATM 252 N1 MCY B 1 -1.370 -2.857 2.172 1.00 0.00 N HETATM 253 C2 MCY B 1 -1.405 -2.042 1.062 1.00 0.00 C HETATM 254 N3 MCY B 1 -1.369 -0.699 1.266 1.00 0.00 N HETATM 255 C4 MCY B 1 -1.305 -0.178 2.504 1.00 0.00 C HETATM 256 C5 MCY B 1 -1.275 -0.990 3.583 1.00 0.00 C HETATM 257 C6 MCY B 1 -1.310 -2.321 3.417 1.00 0.00 C HETATM 258 O2 MCY B 1 -1.470 -2.524 -0.068 1.00 0.00 O HETATM 259 N4 MCY B 1 -1.260 1.146 2.657 1.00 0.00 N HETATM 260 C1' MCY B 1 -1.357 -4.320 1.958 1.00 0.00 C HETATM 261 C2' MCY B 1 0.040 -4.872 2.183 1.00 0.00 C HETATM 262 C3' MCY B 1 -0.044 -5.804 3.364 1.00 0.00 C HETATM 263 C4' MCY B 1 -1.528 -5.972 3.655 1.00 0.00 C HETATM 264 O4' MCY B 1 -2.251 -4.994 2.872 1.00 0.00 O HETATM 265 O3' MCY B 1 0.577 -7.062 3.074 1.00 0.00 O HETATM 266 C5' MCY B 1 -1.812 -5.792 5.143 1.00 0.00 C HETATM 267 O5' MCY B 1 -1.538 -4.456 5.575 1.00 0.00 O HETATM 268 C5A MCY B 1 -1.199 -0.398 4.989 1.00 0.00 C HETATM 0 HO5' MCY B 1 -1.732 -4.375 6.532 1.00 0.00 H new HETATM 0 HN42 MCY B 1 -1.211 1.550 3.592 1.00 0.00 H new HETATM 0 HN41 MCY B 1 -1.274 1.755 1.839 1.00 0.00 H new HETATM 0 H5A3 MCY B 1 -0.291 0.197 5.085 1.00 0.00 H new HETATM 0 H5A2 MCY B 1 -2.068 0.236 5.164 1.00 0.00 H new HETATM 0 H5A1 MCY B 1 -1.184 -1.204 5.723 1.00 0.00 H new HETATM 0 H5'' MCY B 1 -2.855 -6.034 5.346 1.00 0.00 H new HETATM 0 H2'' MCY B 1 0.394 -5.401 1.298 1.00 0.00 H new HETATM 0 H6 MCY B 1 -1.290 -2.976 4.288 1.00 0.00 H new HETATM 0 H5' MCY B 1 -1.205 -6.492 5.717 1.00 0.00 H new HETATM 0 H4' MCY B 1 -1.850 -6.978 3.385 1.00 0.00 H new HETATM 0 H3' MCY B 1 0.484 -5.402 4.228 1.00 0.00 H new HETATM 0 H2' MCY B 1 0.748 -4.066 2.377 1.00 0.00 H new HETATM 0 H1' MCY B 1 -1.681 -4.497 0.932 1.00 0.00 H new ATOM 283 P DC B 2 2.183 -7.208 3.111 1.00 0.00 P ATOM 284 OP1 DC B 2 2.534 -8.579 2.676 1.00 0.00 O ATOM 285 OP2 DC B 2 2.666 -6.701 4.415 1.00 0.00 O ATOM 286 O5' DC B 2 2.653 -6.179 1.964 1.00 0.00 O ATOM 287 C5' DC B 2 4.043 -5.959 1.700 1.00 0.00 C ATOM 288 C4' DC B 2 4.299 -5.764 0.207 1.00 0.00 C ATOM 289 O4' DC B 2 3.641 -4.573 -0.274 1.00 0.00 O ATOM 290 C3' DC B 2 5.787 -5.632 -0.086 1.00 0.00 C ATOM 291 O3' DC B 2 6.300 -6.828 -0.689 1.00 0.00 O ATOM 292 C2' DC B 2 5.916 -4.450 -1.012 1.00 0.00 C ATOM 293 C1' DC B 2 4.574 -3.734 -0.988 1.00 0.00 C ATOM 294 N1 DC B 2 4.703 -2.420 -0.327 1.00 0.00 N ATOM 295 C2 DC B 2 4.529 -1.285 -1.102 1.00 0.00 C ATOM 296 O2 DC B 2 4.270 -1.386 -2.300 1.00 0.00 O ATOM 297 N3 DC B 2 4.659 -0.071 -0.503 1.00 0.00 N ATOM 298 C4 DC B 2 4.949 0.028 0.800 1.00 0.00 C ATOM 299 N4 DC B 2 5.063 1.238 1.348 1.00 0.00 N ATOM 300 C5 DC B 2 5.133 -1.142 1.602 1.00 0.00 C ATOM 301 C6 DC B 2 4.998 -2.336 1.003 1.00 0.00 C ATOM 0 H5' DC B 2 4.623 -6.807 2.063 1.00 0.00 H new ATOM 0 H5'' DC B 2 4.385 -5.081 2.248 1.00 0.00 H new ATOM 0 H4' DC B 2 3.902 -6.644 -0.300 1.00 0.00 H new ATOM 0 H3' DC B 2 6.365 -5.484 0.826 1.00 0.00 H new ATOM 0 H2' DC B 2 6.716 -3.786 -0.684 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.165 -4.774 -2.023 1.00 0.00 H new ATOM 0 H1' DC B 2 4.220 -3.557 -2.003 1.00 0.00 H new ATOM 0 H41 DC B 2 5.284 1.330 2.340 1.00 0.00 H new ATOM 0 H42 DC B 2 4.930 2.072 0.776 1.00 0.00 H new ATOM 0 H5 DC B 2 5.372 -1.068 2.653 1.00 0.00 H new ATOM 0 H6 DC B 2 5.124 -3.240 1.580 1.00 0.00 H new ATOM 313 P DT B 3 7.815 -6.911 -1.245 1.00 0.00 P ATOM 314 OP1 DT B 3 7.784 -6.666 -2.704 1.00 0.00 O ATOM 315 OP2 DT B 3 8.428 -8.152 -0.722 1.00 0.00 O ATOM 316 O5' DT B 3 8.537 -5.652 -0.539 1.00 0.00 O ATOM 317 C5' DT B 3 9.822 -5.799 0.075 1.00 0.00 C ATOM 318 C4' DT B 3 10.600 -4.484 0.092 1.00 0.00 C ATOM 319 O4' DT B 3 9.766 -3.398 0.558 1.00 0.00 O ATOM 320 C3' DT B 3 11.802 -4.590 1.025 1.00 0.00 C ATOM 321 O3' DT B 3 13.000 -4.137 0.370 1.00 0.00 O ATOM 322 C2' DT B 3 11.468 -3.716 2.208 1.00 0.00 C ATOM 323 C1' DT B 3 10.304 -2.840 1.777 1.00 0.00 C ATOM 324 N1 DT B 3 9.269 -2.772 2.830 1.00 0.00 N ATOM 325 C2 DT B 3 9.182 -1.603 3.567 1.00 0.00 C ATOM 326 O2 DT B 3 9.930 -0.646 3.374 1.00 0.00 O ATOM 327 N3 DT B 3 8.200 -1.571 4.539 1.00 0.00 N ATOM 328 C4 DT B 3 7.312 -2.590 4.834 1.00 0.00 C ATOM 329 O4 DT B 3 6.475 -2.452 5.724 1.00 0.00 O ATOM 330 C5 DT B 3 7.478 -3.771 4.014 1.00 0.00 C ATOM 331 C7 DT B 3 6.561 -4.971 4.230 1.00 0.00 C ATOM 332 C6 DT B 3 8.429 -3.826 3.058 1.00 0.00 C ATOM 0 H5' DT B 3 10.397 -6.554 -0.462 1.00 0.00 H new ATOM 0 H5'' DT B 3 9.697 -6.160 1.096 1.00 0.00 H new ATOM 0 H4' DT B 3 10.929 -4.286 -0.928 1.00 0.00 H new ATOM 0 H3' DT B 3 11.991 -5.620 1.327 1.00 0.00 H new ATOM 0 H2' DT B 3 11.199 -4.321 3.074 1.00 0.00 H new ATOM 0 H2'' DT B 3 12.326 -3.108 2.497 1.00 0.00 H new ATOM 0 H1' DT B 3 10.645 -1.819 1.607 1.00 0.00 H new ATOM 0 H3 DT B 3 8.123 -0.716 5.090 1.00 0.00 H new ATOM 0 H71 DT B 3 6.431 -5.504 3.288 1.00 0.00 H new ATOM 0 H72 DT B 3 7.005 -5.640 4.967 1.00 0.00 H new ATOM 0 H73 DT B 3 5.591 -4.628 4.589 1.00 0.00 H new ATOM 0 H6 DT B 3 8.528 -4.721 2.461 1.00 0.00 H new ATOM 345 P DT B 4 13.858 -5.129 -0.574 1.00 0.00 P ATOM 346 OP1 DT B 4 12.925 -5.801 -1.506 1.00 0.00 O ATOM 347 OP2 DT B 4 14.741 -5.939 0.294 1.00 0.00 O ATOM 348 O5' DT B 4 14.778 -4.109 -1.428 1.00 0.00 O ATOM 349 C5' DT B 4 16.215 -4.193 -1.401 1.00 0.00 C ATOM 350 C4' DT B 4 16.839 -3.057 -0.585 1.00 0.00 C ATOM 351 O4' DT B 4 17.082 -1.892 -1.413 1.00 0.00 O ATOM 352 C3' DT B 4 15.899 -2.624 0.517 1.00 0.00 C ATOM 353 O3' DT B 4 16.642 -2.202 1.675 1.00 0.00 O ATOM 354 C2' DT B 4 15.143 -1.489 -0.103 1.00 0.00 C ATOM 355 C1' DT B 4 16.087 -0.881 -1.123 1.00 0.00 C ATOM 356 N1 DT B 4 15.382 -0.482 -2.358 1.00 0.00 N ATOM 357 C2 DT B 4 15.727 0.727 -2.937 1.00 0.00 C ATOM 358 O2 DT B 4 16.558 1.483 -2.436 1.00 0.00 O ATOM 359 N3 DT B 4 15.079 1.040 -4.117 1.00 0.00 N ATOM 360 C4 DT B 4 14.130 0.261 -4.756 1.00 0.00 C ATOM 361 O4 DT B 4 13.616 0.638 -5.808 1.00 0.00 O ATOM 362 C5 DT B 4 13.833 -0.980 -4.075 1.00 0.00 C ATOM 363 C7 DT B 4 12.809 -1.941 -4.672 1.00 0.00 C ATOM 364 C6 DT B 4 14.452 -1.303 -2.922 1.00 0.00 C ATOM 0 H5' DT B 4 16.600 -4.161 -2.420 1.00 0.00 H new ATOM 0 H5'' DT B 4 16.515 -5.151 -0.977 1.00 0.00 H new ATOM 0 H4' DT B 4 17.776 -3.436 -0.177 1.00 0.00 H new ATOM 0 H3' DT B 4 15.241 -3.419 0.868 1.00 0.00 H new ATOM 0 H2' DT B 4 14.227 -1.841 -0.577 1.00 0.00 H new ATOM 0 H2'' DT B 4 14.852 -0.755 0.648 1.00 0.00 H new ATOM 0 H1' DT B 4 16.539 0.027 -0.724 1.00 0.00 H new ATOM 0 H3 DT B 4 15.323 1.927 -4.558 1.00 0.00 H new ATOM 0 H71 DT B 4 13.067 -2.964 -4.399 1.00 0.00 H new ATOM 0 H72 DT B 4 11.818 -1.702 -4.287 1.00 0.00 H new ATOM 0 H73 DT B 4 12.809 -1.845 -5.758 1.00 0.00 H new ATOM 0 H6 DT B 4 14.205 -2.234 -2.434 1.00 0.00 H new ATOM 377 P DT B 5 15.974 -1.281 2.819 1.00 0.00 P ATOM 378 OP1 DT B 5 16.905 -1.224 3.968 1.00 0.00 O ATOM 379 OP2 DT B 5 14.578 -1.732 3.023 1.00 0.00 O ATOM 380 O5' DT B 5 15.944 0.173 2.122 1.00 0.00 O ATOM 381 C5' DT B 5 14.790 1.010 2.236 1.00 0.00 C ATOM 382 C4' DT B 5 14.968 2.334 1.498 1.00 0.00 C ATOM 383 O4' DT B 5 14.984 2.141 0.066 1.00 0.00 O ATOM 384 C3' DT B 5 13.820 3.273 1.833 1.00 0.00 C ATOM 385 O3' DT B 5 14.247 4.375 2.647 1.00 0.00 O ATOM 386 C2' DT B 5 13.278 3.756 0.512 1.00 0.00 C ATOM 387 C1' DT B 5 14.101 3.091 -0.573 1.00 0.00 C ATOM 388 N1 DT B 5 13.224 2.430 -1.559 1.00 0.00 N ATOM 389 C2 DT B 5 12.997 3.078 -2.761 1.00 0.00 C ATOM 390 O2 DT B 5 13.511 4.164 -3.030 1.00 0.00 O ATOM 391 N3 DT B 5 12.155 2.432 -3.647 1.00 0.00 N ATOM 392 C4 DT B 5 11.533 1.214 -3.439 1.00 0.00 C ATOM 393 O4 DT B 5 10.802 0.729 -4.302 1.00 0.00 O ATOM 394 C5 DT B 5 11.831 0.613 -2.158 1.00 0.00 C ATOM 395 C7 DT B 5 11.219 -0.738 -1.798 1.00 0.00 C ATOM 396 C6 DT B 5 12.650 1.225 -1.279 1.00 0.00 C ATOM 0 H5' DT B 5 14.587 1.206 3.289 1.00 0.00 H new ATOM 0 H5'' DT B 5 13.922 0.486 1.836 1.00 0.00 H new ATOM 0 H4' DT B 5 15.920 2.758 1.816 1.00 0.00 H new ATOM 0 H3' DT B 5 13.058 2.755 2.415 1.00 0.00 H new ATOM 0 H2' DT B 5 12.224 3.498 0.410 1.00 0.00 H new ATOM 0 H2'' DT B 5 13.349 4.841 0.439 1.00 0.00 H new ATOM 0 H1' DT B 5 14.687 3.832 -1.118 1.00 0.00 H new ATOM 0 H3 DT B 5 11.976 2.897 -4.537 1.00 0.00 H new ATOM 0 H71 DT B 5 10.254 -0.844 -2.293 1.00 0.00 H new ATOM 0 H72 DT B 5 11.884 -1.537 -2.125 1.00 0.00 H new ATOM 0 H73 DT B 5 11.081 -0.799 -0.718 1.00 0.00 H new ATOM 0 H6 DT B 5 12.856 0.750 -0.331 1.00 0.00 H new ATOM 409 P DA B 6 13.197 5.515 3.113 1.00 0.00 P ATOM 410 OP1 DA B 6 12.533 6.061 1.908 1.00 0.00 O ATOM 411 OP2 DA B 6 13.894 6.432 4.041 1.00 0.00 O ATOM 412 O5' DA B 6 12.100 4.686 3.961 1.00 0.00 O ATOM 413 C5' DA B 6 11.063 3.935 3.311 1.00 0.00 C ATOM 414 C4' DA B 6 9.899 4.819 2.875 1.00 0.00 C ATOM 415 O4' DA B 6 9.682 4.681 1.453 1.00 0.00 O ATOM 416 C3' DA B 6 8.610 4.437 3.596 1.00 0.00 C ATOM 417 O3' DA B 6 8.108 5.537 4.369 1.00 0.00 O ATOM 418 C2' DA B 6 7.634 4.048 2.514 1.00 0.00 C ATOM 419 C1' DA B 6 8.393 4.089 1.198 1.00 0.00 C ATOM 420 N9 DA B 6 8.538 2.731 0.651 1.00 0.00 N ATOM 421 C8 DA B 6 9.110 1.648 1.212 1.00 0.00 C ATOM 422 N7 DA B 6 9.063 0.535 0.557 1.00 0.00 N ATOM 423 C5 DA B 6 8.372 0.922 -0.598 1.00 0.00 C ATOM 424 C6 DA B 6 7.968 0.223 -1.741 1.00 0.00 C ATOM 425 N6 DA B 6 8.186 -1.082 -1.918 1.00 0.00 N ATOM 426 N1 DA B 6 7.311 0.916 -2.689 1.00 0.00 N ATOM 427 C2 DA B 6 7.062 2.217 -2.523 1.00 0.00 C ATOM 428 N3 DA B 6 7.394 2.973 -1.481 1.00 0.00 N ATOM 429 C4 DA B 6 8.052 2.260 -0.548 1.00 0.00 C ATOM 0 H5' DA B 6 10.697 3.163 3.988 1.00 0.00 H new ATOM 0 H5'' DA B 6 11.476 3.426 2.440 1.00 0.00 H new ATOM 0 H4' DA B 6 10.157 5.848 3.126 1.00 0.00 H new ATOM 0 H3' DA B 6 8.774 3.619 4.298 1.00 0.00 H new ATOM 0 H2' DA B 6 7.232 3.051 2.697 1.00 0.00 H new ATOM 0 H2'' DA B 6 6.787 4.734 2.493 1.00 0.00 H new ATOM 0 H1' DA B 6 7.851 4.681 0.461 1.00 0.00 H new ATOM 0 H8 DA B 6 9.592 1.708 2.177 1.00 0.00 H new ATOM 0 H61 DA B 6 7.869 -1.541 -2.772 1.00 0.00 H new ATOM 0 H62 DA B 6 8.669 -1.620 -1.199 1.00 0.00 H new ATOM 0 H2 DA B 6 6.532 2.710 -3.324 1.00 0.00 H new ATOM 441 P DC B 7 6.764 5.383 5.248 1.00 0.00 P ATOM 442 OP1 DC B 7 6.682 6.536 6.174 1.00 0.00 O ATOM 443 OP2 DC B 7 6.712 4.003 5.783 1.00 0.00 O ATOM 444 O5' DC B 7 5.602 5.545 4.142 1.00 0.00 O ATOM 445 C5' DC B 7 4.397 4.775 4.218 1.00 0.00 C ATOM 446 C4' DC B 7 3.349 5.294 3.235 1.00 0.00 C ATOM 447 O4' DC B 7 3.315 4.482 2.041 1.00 0.00 O ATOM 448 C3' DC B 7 1.956 5.296 3.853 1.00 0.00 C ATOM 449 O3' DC B 7 1.462 6.631 4.001 1.00 0.00 O ATOM 450 C2' DC B 7 1.087 4.502 2.914 1.00 0.00 C ATOM 451 C1' DC B 7 2.012 3.887 1.877 1.00 0.00 C ATOM 452 N1 DC B 7 2.089 2.435 2.084 1.00 0.00 N ATOM 453 C2 DC B 7 1.709 1.601 1.044 1.00 0.00 C ATOM 454 O2 DC B 7 1.364 2.075 -0.036 1.00 0.00 O ATOM 455 N3 DC B 7 1.741 0.258 1.255 1.00 0.00 N ATOM 456 C4 DC B 7 2.127 -0.245 2.434 1.00 0.00 C ATOM 457 N4 DC B 7 2.144 -1.566 2.603 1.00 0.00 N ATOM 458 C5 DC B 7 2.522 0.618 3.508 1.00 0.00 C ATOM 459 C6 DC B 7 2.490 1.943 3.285 1.00 0.00 C ATOM 0 H5' DC B 7 4.000 4.815 5.232 1.00 0.00 H new ATOM 0 H5'' DC B 7 4.616 3.729 4.002 1.00 0.00 H new ATOM 0 H4' DC B 7 3.634 6.315 2.983 1.00 0.00 H new ATOM 0 H3' DC B 7 1.965 4.860 4.852 1.00 0.00 H new ATOM 0 H2' DC B 7 0.541 3.728 3.453 1.00 0.00 H new ATOM 0 H2'' DC B 7 0.345 5.143 2.439 1.00 0.00 H new ATOM 0 H1' DC B 7 1.638 4.071 0.870 1.00 0.00 H new ATOM 0 H41 DC B 7 2.436 -1.962 3.496 1.00 0.00 H new ATOM 0 H42 DC B 7 1.865 -2.181 1.839 1.00 0.00 H new ATOM 0 H5 DC B 7 2.834 0.218 4.462 1.00 0.00 H new ATOM 0 H6 DC B 7 2.786 2.624 4.069 1.00 0.00 H new ATOM 471 P DC B 8 0.307 6.966 5.074 1.00 0.00 P ATOM 472 OP1 DC B 8 0.868 7.891 6.084 1.00 0.00 O ATOM 473 OP2 DC B 8 -0.314 5.692 5.505 1.00 0.00 O ATOM 474 O5' DC B 8 -0.765 7.778 4.187 1.00 0.00 O ATOM 475 C5' DC B 8 -2.160 7.461 4.246 1.00 0.00 C ATOM 476 C4' DC B 8 -2.761 7.318 2.849 1.00 0.00 C ATOM 477 O4' DC B 8 -2.478 6.011 2.302 1.00 0.00 O ATOM 478 C3' DC B 8 -4.272 7.505 2.884 1.00 0.00 C ATOM 479 O3' DC B 8 -4.658 8.683 2.172 1.00 0.00 O ATOM 480 C2' DC B 8 -4.859 6.273 2.245 1.00 0.00 C ATOM 481 C1' DC B 8 -3.700 5.348 1.911 1.00 0.00 C ATOM 482 N1 DC B 8 -3.842 4.054 2.614 1.00 0.00 N ATOM 483 C2 DC B 8 -4.041 2.917 1.840 1.00 0.00 C ATOM 484 O2 DC B 8 -4.112 3.001 0.615 1.00 0.00 O ATOM 485 N3 DC B 8 -4.168 1.722 2.478 1.00 0.00 N ATOM 486 C4 DC B 8 -4.107 1.640 3.813 1.00 0.00 C ATOM 487 N4 DC B 8 -4.236 0.449 4.399 1.00 0.00 N ATOM 488 C5 DC B 8 -3.904 2.807 4.612 1.00 0.00 C ATOM 489 C6 DC B 8 -3.778 3.986 3.977 1.00 0.00 C ATOM 0 H5' DC B 8 -2.689 8.242 4.793 1.00 0.00 H new ATOM 0 H5'' DC B 8 -2.300 6.533 4.800 1.00 0.00 H new ATOM 0 H4' DC B 8 -2.310 8.088 2.223 1.00 0.00 H new ATOM 0 H3' DC B 8 -4.631 7.631 3.905 1.00 0.00 H new ATOM 0 H2' DC B 8 -5.559 5.784 2.922 1.00 0.00 H new ATOM 0 H2'' DC B 8 -5.416 6.534 1.345 1.00 0.00 H new ATOM 0 HO3' DC B 8 -5.632 8.782 2.207 1.00 0.00 H new ATOM 0 H1' DC B 8 -3.686 5.134 0.842 1.00 0.00 H new ATOM 0 H41 DC B 8 -4.191 0.373 5.415 1.00 0.00 H new ATOM 0 H42 DC B 8 -4.379 -0.386 3.831 1.00 0.00 H new ATOM 0 H5 DC B 8 -3.853 2.745 5.689 1.00 0.00 H new ATOM 0 H6 DC B 8 -3.625 4.888 4.551 1.00 0.00 H new TER 502 DC B 8 CONECT 1 2 6 9 CONECT 2 1 3 7 CONECT 3 2 4 CONECT 4 3 5 8 CONECT 5 4 6 17 CONECT 6 1 5 18 CONECT 7 2 CONECT 8 4 19 20 CONECT 9 1 10 13 21 CONECT 10 9 11 22 23 CONECT 11 10 12 14 24 CONECT 12 11 13 15 25 CONECT 13 9 12 CONECT 14 11 32 CONECT 15 12 16 26 27 CONECT 16 15 28 CONECT 17 5 29 30 31 CONECT 18 6 CONECT 19 8 CONECT 20 8 CONECT 21 9 CONECT 22 10 CONECT 23 10 CONECT 24 11 CONECT 25 12 CONECT 26 15 CONECT 27 15 CONECT 28 16 CONECT 29 17 CONECT 30 17 CONECT 31 17 CONECT 32 14 CONECT 252 253 257 260 CONECT 253 252 254 258 CONECT 254 253 255 CONECT 255 254 256 259 CONECT 256 255 257 268 CONECT 257 252 256 269 CONECT 258 253 CONECT 259 255 270 271 CONECT 260 252 261 264 272 CONECT 261 260 262 273 274 CONECT 262 261 263 265 275 CONECT 263 262 264 266 276 CONECT 264 260 263 CONECT 265 262 283 CONECT 266 263 267 277 278 CONECT 267 266 279 CONECT 268 256 280 281 282 CONECT 269 257 CONECT 270 259 CONECT 271 259 CONECT 272 260 CONECT 273 261 CONECT 274 261 CONECT 275 262 CONECT 276 263 CONECT 277 266 CONECT 278 266 CONECT 279 267 CONECT 280 268 CONECT 281 268 CONECT 282 268 CONECT 283 265 END