USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 134 hydrogens (0 hets) HEADER DNA 26-JUN-96 1UQF TITLE SELF-COMPLEMENTARY DNA 5'-D(CGGCCG)2, NMR, MINIMIZED TITLE 2 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*CP*GP*GP*CP*CP*G)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: IN 10 MM SODIUM PHOSPHATE BUFFER AT 10 DEG. COMPND 6 CELSIUS, 6.7 MM DOUBLE STRANDED CONCENTRATION SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS DEOXYRIBONUCLEIC ACID, DNA EXPDTA SOLUTION NMR AUTHOR S.L.LAM,S.C.F.AU-YEUNG REVDAT 3 24-FEB-09 1UQF 1 VERSN REVDAT 2 01-APR-03 1UQF 1 JRNL REVDAT 1 27-JAN-97 1UQF 0 JRNL AUTH S.L.LAM,S.C.AU-YEUNG JRNL TITL SEQUENCE-SPECIFIC LOCAL STRUCTURAL VARIATIONS IN JRNL TITL 2 SOLUTION STRUCTURES OF D(CGXX'CG)2 AND D(CAXX'TG)2 JRNL TITL 3 SELF-COMPLEMENTARY DEOXYRIBONUCLEIC ACIDS. JRNL REF J.MOL.BIOL. V. 266 745 1997 JRNL REFN ISSN 0022-2836 JRNL PMID 9102467 JRNL DOI 10.1006/JMBI.1996.0783 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 4.0 REMARK 3 AUTHORS : PEARLMAN,CASE,CALDWELL,SEIBEL,SINGH,WEINER, REMARK 3 KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1UQF 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) : 283 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: IN 10 MM SODIUM PHOSPHATE BUFFER AT 10 DEGREES CELSIUS, REMARK 210 6.7 MM DOUBLE STRANDED CONCENTRATION 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 1 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 8.2 DEGREES REMARK 500 DC A 4 O4' - C4' - C3' ANGL. DEV. = 5.6 DEGREES REMARK 500 DC A 4 C5' - C4' - O4' ANGL. DEV. = 8.1 DEGREES REMARK 500 DC A 4 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC A 5 O4' - C4' - C3' ANGL. DEV. = 8.5 DEGREES REMARK 500 DC A 5 C5' - C4' - C3' ANGL. DEV. = 7.2 DEGREES REMARK 500 DC A 5 C5' - C4' - O4' ANGL. DEV. = 8.1 DEGREES REMARK 500 DC A 5 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 DC B 7 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DG B 8 O4' - C1' - N9 ANGL. DEV. = 8.2 DEGREES REMARK 500 DC B 10 O4' - C4' - C3' ANGL. DEV. = 5.5 DEGREES REMARK 500 DC B 10 C5' - C4' - O4' ANGL. DEV. = 8.1 DEGREES REMARK 500 DC B 10 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC B 11 O4' - C4' - C3' ANGL. DEV. = 8.5 DEGREES REMARK 500 DC B 11 C5' - C4' - C3' ANGL. DEV. = 7.3 DEGREES REMARK 500 DC B 11 C5' - C4' - O4' ANGL. DEV. = 8.0 DEGREES REMARK 500 DC B 11 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1BUF RELATED DB: PDB REMARK 900 MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 1UQA RELATED DB: PDB REMARK 900 MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 1UQB RELATED DB: PDB REMARK 900 MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 1UQC RELATED DB: PDB REMARK 900 MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 1UQD RELATED DB: PDB REMARK 900 MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 1UQE RELATED DB: PDB REMARK 900 MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 1UQG RELATED DB: PDB REMARK 900 MINIMIZED AVERAGE STRUCTURE DBREF 1UQF A 1 6 PDB 1UQF 1UQF 1 6 DBREF 1UQF B 7 12 PDB 1UQF 1UQF 7 12 SEQRES 1 A 6 DC DG DG DC DC DG SEQRES 1 B 6 DC DG DG DC DC DG 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 DC O5' : rot 180:sc= 0 USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 DC O5' : rot 180:sc= 0 USER MOD Single : B 12 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 1.587 -10.378 -5.493 1.00 0.00 O ATOM 2 C5' DC A 1 2.629 -10.883 -6.301 1.00 0.00 C ATOM 3 C4' DC A 1 3.812 -9.908 -6.397 1.00 0.00 C ATOM 4 O4' DC A 1 3.490 -8.760 -7.164 1.00 0.00 O ATOM 5 C3' DC A 1 4.358 -9.453 -5.057 1.00 0.00 C ATOM 6 O3' DC A 1 5.773 -9.482 -5.049 1.00 0.00 O ATOM 7 C2' DC A 1 3.872 -7.995 -4.943 1.00 0.00 C ATOM 8 C1' DC A 1 3.827 -7.576 -6.449 1.00 0.00 C ATOM 9 N1 DC A 1 2.805 -6.524 -6.604 1.00 0.00 N ATOM 10 C2 DC A 1 3.141 -5.175 -6.608 1.00 0.00 C ATOM 11 O2 DC A 1 4.307 -4.804 -6.493 1.00 0.00 O ATOM 12 N3 DC A 1 2.147 -4.251 -6.757 1.00 0.00 N ATOM 13 C4 DC A 1 0.869 -4.651 -6.828 1.00 0.00 C ATOM 14 N4 DC A 1 -0.073 -3.732 -6.993 1.00 0.00 N ATOM 15 C5 DC A 1 0.502 -6.035 -6.798 1.00 0.00 C ATOM 16 C6 DC A 1 1.518 -6.917 -6.685 1.00 0.00 C ATOM 0 H5' DC A 1 2.245 -11.086 -7.301 1.00 0.00 H new ATOM 0 H5'' DC A 1 2.975 -11.833 -5.893 1.00 0.00 H new ATOM 0 H4' DC A 1 4.591 -10.488 -6.892 1.00 0.00 H new ATOM 0 H3' DC A 1 4.027 -10.091 -4.237 1.00 0.00 H new ATOM 0 H2' DC A 1 2.895 -7.922 -4.466 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.557 -7.376 -4.363 1.00 0.00 H new ATOM 0 HO5' DC A 1 0.854 -11.028 -5.460 1.00 0.00 H new ATOM 0 H1' DC A 1 4.769 -7.172 -6.821 1.00 0.00 H new ATOM 0 H41 DC A 1 -1.053 -4.010 -7.050 1.00 0.00 H new ATOM 0 H42 DC A 1 0.182 -2.747 -7.063 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.528 -6.355 -6.862 1.00 0.00 H new ATOM 0 H6 DC A 1 1.292 -7.973 -6.659 1.00 0.00 H new ATOM 29 P DG A 2 6.600 -9.651 -3.685 1.00 0.00 P ATOM 30 OP1 DG A 2 7.873 -10.347 -3.975 1.00 0.00 O ATOM 31 OP2 DG A 2 5.781 -10.381 -2.693 1.00 0.00 O ATOM 32 O5' DG A 2 6.937 -8.193 -3.115 1.00 0.00 O ATOM 33 C5' DG A 2 7.931 -7.403 -3.739 1.00 0.00 C ATOM 34 C4' DG A 2 7.828 -5.909 -3.413 1.00 0.00 C ATOM 35 O4' DG A 2 6.697 -5.256 -3.983 1.00 0.00 O ATOM 36 C3' DG A 2 7.816 -5.602 -1.912 1.00 0.00 C ATOM 37 O3' DG A 2 8.563 -4.415 -1.711 1.00 0.00 O ATOM 38 C2' DG A 2 6.346 -5.328 -1.635 1.00 0.00 C ATOM 39 C1' DG A 2 5.942 -4.651 -2.940 1.00 0.00 C ATOM 40 N9 DG A 2 4.490 -4.483 -3.185 1.00 0.00 N ATOM 41 C8 DG A 2 3.454 -5.362 -3.006 1.00 0.00 C ATOM 42 N7 DG A 2 2.280 -4.881 -3.313 1.00 0.00 N ATOM 43 C5 DG A 2 2.543 -3.555 -3.654 1.00 0.00 C ATOM 44 C6 DG A 2 1.666 -2.483 -4.015 1.00 0.00 C ATOM 45 O6 DG A 2 0.449 -2.508 -4.204 1.00 0.00 O ATOM 46 N1 DG A 2 2.331 -1.273 -4.149 1.00 0.00 N ATOM 47 C2 DG A 2 3.690 -1.119 -4.037 1.00 0.00 C ATOM 48 N2 DG A 2 4.205 0.096 -4.172 1.00 0.00 N ATOM 49 N3 DG A 2 4.525 -2.120 -3.766 1.00 0.00 N ATOM 50 C4 DG A 2 3.891 -3.304 -3.562 1.00 0.00 C ATOM 0 H5' DG A 2 7.862 -7.535 -4.819 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.913 -7.765 -3.435 1.00 0.00 H new ATOM 0 H4' DG A 2 8.738 -5.517 -3.868 1.00 0.00 H new ATOM 0 H3' DG A 2 8.231 -6.388 -1.281 1.00 0.00 H new ATOM 0 H2' DG A 2 5.781 -6.242 -1.449 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.200 -4.682 -0.770 1.00 0.00 H new ATOM 0 H1' DG A 2 6.199 -3.594 -2.881 1.00 0.00 H new ATOM 0 H8 DG A 2 3.597 -6.369 -2.641 1.00 0.00 H new ATOM 0 H1 DG A 2 1.772 -0.442 -4.344 1.00 0.00 H new ATOM 0 H21 DG A 2 5.212 0.235 -4.093 1.00 0.00 H new ATOM 0 H22 DG A 2 3.594 0.892 -4.355 1.00 0.00 H new ATOM 62 P DG A 3 9.173 -4.000 -0.291 1.00 0.00 P ATOM 63 OP1 DG A 3 10.648 -4.107 -0.315 1.00 0.00 O ATOM 64 OP2 DG A 3 8.560 -4.809 0.784 1.00 0.00 O ATOM 65 O5' DG A 3 8.746 -2.472 -0.097 1.00 0.00 O ATOM 66 C5' DG A 3 9.383 -1.438 -0.826 1.00 0.00 C ATOM 67 C4' DG A 3 8.737 -0.086 -0.505 1.00 0.00 C ATOM 68 O4' DG A 3 7.402 -0.099 -0.976 1.00 0.00 O ATOM 69 C3' DG A 3 8.715 0.240 0.978 1.00 0.00 C ATOM 70 O3' DG A 3 9.055 1.603 1.162 1.00 0.00 O ATOM 71 C2' DG A 3 7.291 -0.094 1.347 1.00 0.00 C ATOM 72 C1' DG A 3 6.535 0.249 0.083 1.00 0.00 C ATOM 73 N9 DG A 3 5.270 -0.523 -0.147 1.00 0.00 N ATOM 74 C8 DG A 3 4.997 -1.891 -0.123 1.00 0.00 C ATOM 75 N7 DG A 3 3.764 -2.183 -0.434 1.00 0.00 N ATOM 76 C5 DG A 3 3.182 -0.956 -0.723 1.00 0.00 C ATOM 77 C6 DG A 3 1.844 -0.633 -1.098 1.00 0.00 C ATOM 78 O6 DG A 3 0.907 -1.405 -1.274 1.00 0.00 O ATOM 79 N1 DG A 3 1.641 0.728 -1.264 1.00 0.00 N ATOM 80 C2 DG A 3 2.623 1.676 -1.108 1.00 0.00 C ATOM 81 N2 DG A 3 2.283 2.959 -1.153 1.00 0.00 N ATOM 82 N3 DG A 3 3.879 1.384 -0.759 1.00 0.00 N ATOM 83 C4 DG A 3 4.100 0.054 -0.587 1.00 0.00 C ATOM 0 H5' DG A 3 9.310 -1.639 -1.895 1.00 0.00 H new ATOM 0 H5'' DG A 3 10.444 -1.410 -0.579 1.00 0.00 H new ATOM 0 H4' DG A 3 9.341 0.677 -0.995 1.00 0.00 H new ATOM 0 H3' DG A 3 9.427 -0.303 1.600 1.00 0.00 H new ATOM 0 H2' DG A 3 7.177 -1.144 1.615 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.945 0.492 2.198 1.00 0.00 H new ATOM 0 H1' DG A 3 6.248 1.298 0.155 1.00 0.00 H new ATOM 0 H8 DG A 3 5.736 -2.637 0.129 1.00 0.00 H new ATOM 0 H1 DG A 3 0.705 1.045 -1.517 1.00 0.00 H new ATOM 0 H21 DG A 3 2.996 3.680 -1.040 1.00 0.00 H new ATOM 0 H22 DG A 3 1.309 3.224 -1.301 1.00 0.00 H new ATOM 95 P DC A 4 9.101 2.289 2.605 1.00 0.00 P ATOM 96 OP1 DC A 4 10.192 3.287 2.646 1.00 0.00 O ATOM 97 OP2 DC A 4 9.237 1.257 3.655 1.00 0.00 O ATOM 98 O5' DC A 4 7.702 3.041 2.771 1.00 0.00 O ATOM 99 C5' DC A 4 7.397 4.126 1.921 1.00 0.00 C ATOM 100 C4' DC A 4 5.958 4.610 2.088 1.00 0.00 C ATOM 101 O4' DC A 4 4.940 3.907 1.405 1.00 0.00 O ATOM 102 C3' DC A 4 5.536 4.969 3.508 1.00 0.00 C ATOM 103 O3' DC A 4 5.150 6.328 3.633 1.00 0.00 O ATOM 104 C2' DC A 4 4.428 3.973 3.678 1.00 0.00 C ATOM 105 C1' DC A 4 3.843 3.804 2.286 1.00 0.00 C ATOM 106 N1 DC A 4 3.219 2.474 2.185 1.00 0.00 N ATOM 107 C2 DC A 4 1.843 2.349 2.021 1.00 0.00 C ATOM 108 O2 DC A 4 1.116 3.328 1.872 1.00 0.00 O ATOM 109 N3 DC A 4 1.287 1.106 2.025 1.00 0.00 N ATOM 110 C4 DC A 4 2.058 0.032 2.224 1.00 0.00 C ATOM 111 N4 DC A 4 1.509 -1.171 2.128 1.00 0.00 N ATOM 112 C5 DC A 4 3.470 0.146 2.415 1.00 0.00 C ATOM 113 C6 DC A 4 4.010 1.380 2.359 1.00 0.00 C ATOM 0 H5' DC A 4 7.560 3.829 0.885 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.081 4.949 2.128 1.00 0.00 H new ATOM 0 H4' DC A 4 6.047 5.547 1.539 1.00 0.00 H new ATOM 0 H3' DC A 4 6.308 4.908 4.275 1.00 0.00 H new ATOM 0 H2' DC A 4 4.803 3.026 4.067 1.00 0.00 H new ATOM 0 H2'' DC A 4 3.677 4.332 4.382 1.00 0.00 H new ATOM 0 H1' DC A 4 3.079 4.547 2.055 1.00 0.00 H new ATOM 0 H41 DC A 4 2.078 -2.005 2.276 1.00 0.00 H new ATOM 0 H42 DC A 4 0.518 -1.263 1.906 1.00 0.00 H new ATOM 0 H5 DC A 4 4.082 -0.725 2.598 1.00 0.00 H new ATOM 0 H6 DC A 4 5.079 1.502 2.453 1.00 0.00 H new ATOM 125 P DC A 5 4.847 6.997 5.060 1.00 0.00 P ATOM 126 OP1 DC A 5 5.028 8.462 4.960 1.00 0.00 O ATOM 127 OP2 DC A 5 5.721 6.392 6.088 1.00 0.00 O ATOM 128 O5' DC A 5 3.319 6.692 5.416 1.00 0.00 O ATOM 129 C5' DC A 5 2.283 7.361 4.725 1.00 0.00 C ATOM 130 C4' DC A 5 0.990 6.558 4.824 1.00 0.00 C ATOM 131 O4' DC A 5 0.916 5.342 4.121 1.00 0.00 O ATOM 132 C3' DC A 5 0.051 6.657 6.002 1.00 0.00 C ATOM 133 O3' DC A 5 -1.130 7.434 5.844 1.00 0.00 O ATOM 134 C2' DC A 5 -0.243 5.200 6.164 1.00 0.00 C ATOM 135 C1' DC A 5 -0.121 4.632 4.749 1.00 0.00 C ATOM 136 N1 DC A 5 0.148 3.199 4.856 1.00 0.00 N ATOM 137 C2 DC A 5 -0.797 2.242 4.530 1.00 0.00 C ATOM 138 O2 DC A 5 -1.912 2.560 4.128 1.00 0.00 O ATOM 139 N3 DC A 5 -0.472 0.929 4.692 1.00 0.00 N ATOM 140 C4 DC A 5 0.702 0.597 5.243 1.00 0.00 C ATOM 141 N4 DC A 5 1.017 -0.693 5.293 1.00 0.00 N ATOM 142 C5 DC A 5 1.603 1.588 5.766 1.00 0.00 C ATOM 143 C6 DC A 5 1.254 2.878 5.546 1.00 0.00 C ATOM 0 H5' DC A 5 2.559 7.495 3.679 1.00 0.00 H new ATOM 0 H5'' DC A 5 2.137 8.356 5.146 1.00 0.00 H new ATOM 0 H4' DC A 5 0.504 7.323 4.219 1.00 0.00 H new ATOM 0 H3' DC A 5 0.488 7.190 6.847 1.00 0.00 H new ATOM 0 H2' DC A 5 0.462 4.725 6.846 1.00 0.00 H new ATOM 0 H2'' DC A 5 -1.240 5.038 6.573 1.00 0.00 H new ATOM 0 H1' DC A 5 -1.028 4.743 4.155 1.00 0.00 H new ATOM 0 H41 DC A 5 1.903 -0.986 5.705 1.00 0.00 H new ATOM 0 H42 DC A 5 0.373 -1.390 4.919 1.00 0.00 H new ATOM 0 H5 DC A 5 2.502 1.320 6.301 1.00 0.00 H new ATOM 0 H6 DC A 5 1.880 3.667 5.935 1.00 0.00 H new ATOM 155 P DG A 6 -1.939 7.999 7.103 1.00 0.00 P ATOM 156 OP1 DG A 6 -2.718 9.205 6.749 1.00 0.00 O ATOM 157 OP2 DG A 6 -1.055 8.181 8.274 1.00 0.00 O ATOM 158 O5' DG A 6 -2.890 6.721 7.288 1.00 0.00 O ATOM 159 C5' DG A 6 -3.999 6.515 6.428 1.00 0.00 C ATOM 160 C4' DG A 6 -5.120 5.699 7.079 1.00 0.00 C ATOM 161 O4' DG A 6 -4.761 4.346 6.885 1.00 0.00 O ATOM 162 C3' DG A 6 -5.441 5.936 8.546 1.00 0.00 C ATOM 163 O3' DG A 6 -6.813 5.718 8.811 1.00 0.00 O ATOM 164 C2' DG A 6 -4.622 4.823 9.152 1.00 0.00 C ATOM 165 C1' DG A 6 -4.714 3.700 8.128 1.00 0.00 C ATOM 166 N9 DG A 6 -3.571 2.729 8.099 1.00 0.00 N ATOM 167 C8 DG A 6 -2.195 2.924 8.168 1.00 0.00 C ATOM 168 N7 DG A 6 -1.490 1.856 7.932 1.00 0.00 N ATOM 169 C5 DG A 6 -2.439 0.877 7.682 1.00 0.00 C ATOM 170 C6 DG A 6 -2.264 -0.500 7.363 1.00 0.00 C ATOM 171 O6 DG A 6 -1.210 -1.121 7.266 1.00 0.00 O ATOM 172 N1 DG A 6 -3.463 -1.163 7.164 1.00 0.00 N ATOM 173 C2 DG A 6 -4.697 -0.564 7.247 1.00 0.00 C ATOM 174 N2 DG A 6 -5.768 -1.307 6.990 1.00 0.00 N ATOM 175 N3 DG A 6 -4.874 0.724 7.564 1.00 0.00 N ATOM 176 C4 DG A 6 -3.707 1.395 7.771 1.00 0.00 C ATOM 0 H5' DG A 6 -3.662 6.004 5.526 1.00 0.00 H new ATOM 0 H5'' DG A 6 -4.395 7.482 6.117 1.00 0.00 H new ATOM 0 H4' DG A 6 -6.044 6.020 6.599 1.00 0.00 H new ATOM 0 H3' DG A 6 -5.233 6.943 8.907 1.00 0.00 H new ATOM 0 H2' DG A 6 -3.589 5.131 9.316 1.00 0.00 H new ATOM 0 H2'' DG A 6 -5.020 4.515 10.119 1.00 0.00 H new ATOM 0 HO3' DG A 6 -6.992 5.876 9.762 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.582 3.093 8.385 1.00 0.00 H new ATOM 0 H8 DG A 6 -1.750 3.881 8.398 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.428 -2.158 6.942 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.699 -0.894 7.042 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.659 -2.290 6.740 1.00 0.00 H new TER 188 DG A 6 ATOM 189 O5' DC B 7 -3.598 -9.877 5.227 1.00 0.00 O ATOM 190 C5' DC B 7 -4.722 -10.265 5.988 1.00 0.00 C ATOM 191 C4' DC B 7 -5.731 -9.116 6.118 1.00 0.00 C ATOM 192 O4' DC B 7 -5.203 -8.075 6.921 1.00 0.00 O ATOM 193 C3' DC B 7 -6.173 -8.529 4.791 1.00 0.00 C ATOM 194 O3' DC B 7 -7.566 -8.279 4.787 1.00 0.00 O ATOM 195 C2' DC B 7 -5.412 -7.190 4.721 1.00 0.00 C ATOM 196 C1' DC B 7 -5.296 -6.831 6.238 1.00 0.00 C ATOM 197 N1 DC B 7 -4.083 -6.013 6.424 1.00 0.00 N ATOM 198 C2 DC B 7 -4.140 -4.626 6.469 1.00 0.00 C ATOM 199 O2 DC B 7 -5.207 -4.025 6.367 1.00 0.00 O ATOM 200 N3 DC B 7 -2.981 -3.925 6.642 1.00 0.00 N ATOM 201 C4 DC B 7 -1.810 -4.576 6.699 1.00 0.00 C ATOM 202 N4 DC B 7 -0.703 -3.871 6.888 1.00 0.00 N ATOM 203 C5 DC B 7 -1.729 -6.004 6.628 1.00 0.00 C ATOM 204 C6 DC B 7 -2.901 -6.661 6.491 1.00 0.00 C ATOM 0 H5' DC B 7 -4.400 -10.583 6.980 1.00 0.00 H new ATOM 0 H5'' DC B 7 -5.203 -11.123 5.518 1.00 0.00 H new ATOM 0 H4' DC B 7 -6.610 -9.560 6.585 1.00 0.00 H new ATOM 0 H3' DC B 7 -5.971 -9.196 3.953 1.00 0.00 H new ATOM 0 H2' DC B 7 -4.436 -7.295 4.247 1.00 0.00 H new ATOM 0 H2'' DC B 7 -5.960 -6.433 4.159 1.00 0.00 H new ATOM 0 HO5' DC B 7 -2.972 -10.628 5.162 1.00 0.00 H new ATOM 0 H1' DC B 7 -6.143 -6.259 6.617 1.00 0.00 H new ATOM 0 H41 DC B 7 0.200 -4.343 6.935 1.00 0.00 H new ATOM 0 H42 DC B 7 -0.755 -2.857 6.986 1.00 0.00 H new ATOM 0 H5 DC B 7 -0.785 -6.526 6.681 1.00 0.00 H new ATOM 0 H6 DC B 7 -2.892 -7.739 6.433 1.00 0.00 H new ATOM 217 P DG B 8 -8.406 -8.242 3.421 1.00 0.00 P ATOM 218 OP1 DG B 8 -9.792 -8.679 3.695 1.00 0.00 O ATOM 219 OP2 DG B 8 -7.745 -9.092 2.407 1.00 0.00 O ATOM 220 O5' DG B 8 -8.445 -6.730 2.894 1.00 0.00 O ATOM 221 C5' DG B 8 -9.263 -5.777 3.545 1.00 0.00 C ATOM 222 C4' DG B 8 -8.864 -4.324 3.262 1.00 0.00 C ATOM 223 O4' DG B 8 -7.627 -3.926 3.848 1.00 0.00 O ATOM 224 C3' DG B 8 -8.786 -3.981 1.771 1.00 0.00 C ATOM 225 O3' DG B 8 -9.282 -2.664 1.607 1.00 0.00 O ATOM 226 C2' DG B 8 -7.290 -3.997 1.498 1.00 0.00 C ATOM 227 C1' DG B 8 -6.764 -3.453 2.821 1.00 0.00 C ATOM 228 N9 DG B 8 -5.308 -3.584 3.067 1.00 0.00 N ATOM 229 C8 DG B 8 -4.468 -4.646 2.859 1.00 0.00 C ATOM 230 N7 DG B 8 -3.222 -4.418 3.177 1.00 0.00 N ATOM 231 C5 DG B 8 -3.217 -3.077 3.560 1.00 0.00 C ATOM 232 C6 DG B 8 -2.145 -2.213 3.951 1.00 0.00 C ATOM 233 O6 DG B 8 -0.958 -2.486 4.135 1.00 0.00 O ATOM 234 N1 DG B 8 -2.556 -0.900 4.121 1.00 0.00 N ATOM 235 C2 DG B 8 -3.856 -0.475 4.017 1.00 0.00 C ATOM 236 N2 DG B 8 -4.119 0.814 4.190 1.00 0.00 N ATOM 237 N3 DG B 8 -4.873 -1.280 3.718 1.00 0.00 N ATOM 238 C4 DG B 8 -4.487 -2.561 3.477 1.00 0.00 C ATOM 0 H5' DG B 8 -9.224 -5.952 4.620 1.00 0.00 H new ATOM 0 H5'' DG B 8 -10.297 -5.927 3.235 1.00 0.00 H new ATOM 0 H4' DG B 8 -9.680 -3.773 3.730 1.00 0.00 H new ATOM 0 H3' DG B 8 -9.347 -4.650 1.118 1.00 0.00 H new ATOM 0 H2' DG B 8 -6.918 -4.999 1.284 1.00 0.00 H new ATOM 0 H2'' DG B 8 -7.016 -3.367 0.652 1.00 0.00 H new ATOM 0 H1' DG B 8 -6.806 -2.364 2.793 1.00 0.00 H new ATOM 0 H8 DG B 8 -4.808 -5.592 2.465 1.00 0.00 H new ATOM 0 H1 DG B 8 -1.844 -0.203 4.338 1.00 0.00 H new ATOM 0 H21 DG B 8 -5.078 1.153 4.117 1.00 0.00 H new ATOM 0 H22 DG B 8 -3.362 1.466 4.396 1.00 0.00 H new ATOM 250 P DG B 9 -9.793 -2.093 0.202 1.00 0.00 P ATOM 251 OP1 DG B 9 -11.259 -1.904 0.228 1.00 0.00 O ATOM 252 OP2 DG B 9 -9.350 -2.978 -0.898 1.00 0.00 O ATOM 253 O5' DG B 9 -9.068 -0.677 0.052 1.00 0.00 O ATOM 254 C5' DG B 9 -9.488 0.441 0.813 1.00 0.00 C ATOM 255 C4' DG B 9 -8.584 1.646 0.529 1.00 0.00 C ATOM 256 O4' DG B 9 -7.280 1.354 0.996 1.00 0.00 O ATOM 257 C3' DG B 9 -8.492 2.005 -0.943 1.00 0.00 C ATOM 258 O3' DG B 9 -8.552 3.412 -1.086 1.00 0.00 O ATOM 259 C2' DG B 9 -7.163 1.404 -1.326 1.00 0.00 C ATOM 260 C1' DG B 9 -6.357 1.551 -0.054 1.00 0.00 C ATOM 261 N9 DG B 9 -5.273 0.536 0.149 1.00 0.00 N ATOM 262 C8 DG B 9 -5.278 -0.858 0.084 1.00 0.00 C ATOM 263 N7 DG B 9 -4.129 -1.399 0.383 1.00 0.00 N ATOM 264 C5 DG B 9 -3.315 -0.321 0.707 1.00 0.00 C ATOM 265 C6 DG B 9 -1.941 -0.283 1.088 1.00 0.00 C ATOM 266 O6 DG B 9 -1.177 -1.232 1.239 1.00 0.00 O ATOM 267 N1 DG B 9 -1.471 1.004 1.294 1.00 0.00 N ATOM 268 C2 DG B 9 -2.243 2.133 1.168 1.00 0.00 C ATOM 269 N2 DG B 9 -1.653 3.321 1.249 1.00 0.00 N ATOM 270 N3 DG B 9 -3.531 2.108 0.814 1.00 0.00 N ATOM 271 C4 DG B 9 -4.012 0.855 0.603 1.00 0.00 C ATOM 0 H5' DG B 9 -9.459 0.198 1.875 1.00 0.00 H new ATOM 0 H5'' DG B 9 -10.522 0.688 0.570 1.00 0.00 H new ATOM 0 H4' DG B 9 -9.027 2.500 1.042 1.00 0.00 H new ATOM 0 H3' DG B 9 -9.296 1.634 -1.578 1.00 0.00 H new ATOM 0 H2' DG B 9 -7.261 0.361 -1.626 1.00 0.00 H new ATOM 0 H2'' DG B 9 -6.704 1.934 -2.161 1.00 0.00 H new ATOM 0 H1' DG B 9 -5.865 2.523 -0.095 1.00 0.00 H new ATOM 0 H8 DG B 9 -6.150 -1.434 -0.188 1.00 0.00 H new ATOM 0 H1 DG B 9 -0.492 1.120 1.555 1.00 0.00 H new ATOM 0 H21 DG B 9 -2.207 4.173 1.158 1.00 0.00 H new ATOM 0 H22 DG B 9 -0.646 3.381 1.402 1.00 0.00 H new ATOM 283 P DC B 10 -8.456 4.135 -2.509 1.00 0.00 P ATOM 284 OP1 DC B 10 -9.326 5.332 -2.518 1.00 0.00 O ATOM 285 OP2 DC B 10 -8.792 3.182 -3.589 1.00 0.00 O ATOM 286 O5' DC B 10 -6.935 4.597 -2.657 1.00 0.00 O ATOM 287 C5' DC B 10 -6.422 5.576 -1.778 1.00 0.00 C ATOM 288 C4' DC B 10 -4.915 5.768 -1.935 1.00 0.00 C ATOM 289 O4' DC B 10 -4.059 4.856 -1.275 1.00 0.00 O ATOM 290 C3' DC B 10 -4.425 6.075 -3.345 1.00 0.00 C ATOM 291 O3' DC B 10 -3.775 7.333 -3.433 1.00 0.00 O ATOM 292 C2' DC B 10 -3.538 4.883 -3.547 1.00 0.00 C ATOM 293 C1' DC B 10 -3.003 4.561 -2.162 1.00 0.00 C ATOM 294 N1 DC B 10 -2.657 3.131 -2.100 1.00 0.00 N ATOM 295 C2 DC B 10 -1.335 2.729 -1.942 1.00 0.00 C ATOM 296 O2 DC B 10 -0.428 3.538 -1.767 1.00 0.00 O ATOM 297 N3 DC B 10 -1.038 1.400 -1.984 1.00 0.00 N ATOM 298 C4 DC B 10 -2.007 0.508 -2.212 1.00 0.00 C ATOM 299 N4 DC B 10 -1.710 -0.783 -2.153 1.00 0.00 N ATOM 300 C5 DC B 10 -3.367 0.908 -2.396 1.00 0.00 C ATOM 301 C6 DC B 10 -3.650 2.222 -2.304 1.00 0.00 C ATOM 0 H5' DC B 10 -6.644 5.289 -0.750 1.00 0.00 H new ATOM 0 H5'' DC B 10 -6.927 6.524 -1.960 1.00 0.00 H new ATOM 0 H4' DC B 10 -4.818 6.689 -1.360 1.00 0.00 H new ATOM 0 H3' DC B 10 -5.191 6.190 -4.112 1.00 0.00 H new ATOM 0 H2' DC B 10 -4.093 4.042 -3.962 1.00 0.00 H new ATOM 0 H2'' DC B 10 -2.729 5.105 -4.242 1.00 0.00 H new ATOM 0 H1' DC B 10 -2.107 5.130 -1.913 1.00 0.00 H new ATOM 0 H41 DC B 10 -2.434 -1.481 -2.324 1.00 0.00 H new ATOM 0 H42 DC B 10 -0.758 -1.078 -1.937 1.00 0.00 H new ATOM 0 H5 DC B 10 -4.140 0.183 -2.601 1.00 0.00 H new ATOM 0 H6 DC B 10 -4.673 2.557 -2.393 1.00 0.00 H new ATOM 313 P DC B 11 -3.340 7.968 -4.841 1.00 0.00 P ATOM 314 OP1 DC B 11 -3.224 9.436 -4.698 1.00 0.00 O ATOM 315 OP2 DC B 11 -4.314 7.580 -5.883 1.00 0.00 O ATOM 316 O5' DC B 11 -1.902 7.374 -5.209 1.00 0.00 O ATOM 317 C5' DC B 11 -0.756 7.801 -4.502 1.00 0.00 C ATOM 318 C4' DC B 11 0.350 6.759 -4.628 1.00 0.00 C ATOM 319 O4' DC B 11 0.176 5.534 -3.960 1.00 0.00 O ATOM 320 C3' DC B 11 1.295 6.702 -5.804 1.00 0.00 C ATOM 321 O3' DC B 11 2.607 7.221 -5.626 1.00 0.00 O ATOM 322 C2' DC B 11 1.291 5.220 -6.008 1.00 0.00 C ATOM 323 C1' DC B 11 1.053 4.648 -4.610 1.00 0.00 C ATOM 324 N1 DC B 11 0.502 3.302 -4.757 1.00 0.00 N ATOM 325 C2 DC B 11 1.236 2.167 -4.461 1.00 0.00 C ATOM 326 O2 DC B 11 2.390 2.243 -4.053 1.00 0.00 O ATOM 327 N3 DC B 11 0.656 0.950 -4.660 1.00 0.00 N ATOM 328 C4 DC B 11 -0.559 0.875 -5.218 1.00 0.00 C ATOM 329 N4 DC B 11 -1.125 -0.324 -5.305 1.00 0.00 N ATOM 330 C5 DC B 11 -1.242 2.042 -5.711 1.00 0.00 C ATOM 331 C6 DC B 11 -0.643 3.229 -5.454 1.00 0.00 C ATOM 0 H5' DC B 11 -1.003 7.957 -3.452 1.00 0.00 H new ATOM 0 H5'' DC B 11 -0.412 8.758 -4.894 1.00 0.00 H new ATOM 0 H4' DC B 11 0.979 7.395 -4.005 1.00 0.00 H new ATOM 0 H3' DC B 11 0.978 7.336 -6.632 1.00 0.00 H new ATOM 0 H2' DC B 11 0.507 4.916 -6.701 1.00 0.00 H new ATOM 0 H2'' DC B 11 2.237 4.873 -6.424 1.00 0.00 H new ATOM 0 H1' DC B 11 1.962 4.558 -4.016 1.00 0.00 H new ATOM 0 H41 DC B 11 -2.050 -0.422 -5.724 1.00 0.00 H new ATOM 0 H42 DC B 11 -0.635 -1.146 -4.953 1.00 0.00 H new ATOM 0 H5 DC B 11 -2.174 1.975 -6.252 1.00 0.00 H new ATOM 0 H6 DC B 11 -1.097 4.139 -5.818 1.00 0.00 H new ATOM 343 P DG B 12 3.517 7.648 -6.870 1.00 0.00 P ATOM 344 OP1 DG B 12 4.521 8.663 -6.482 1.00 0.00 O ATOM 345 OP2 DG B 12 2.692 8.038 -8.033 1.00 0.00 O ATOM 346 O5' DG B 12 4.194 6.212 -7.094 1.00 0.00 O ATOM 347 C5' DG B 12 5.235 5.761 -6.241 1.00 0.00 C ATOM 348 C4' DG B 12 6.173 4.757 -6.916 1.00 0.00 C ATOM 349 O4' DG B 12 5.552 3.498 -6.761 1.00 0.00 O ATOM 350 C3' DG B 12 6.542 4.966 -8.376 1.00 0.00 C ATOM 351 O3' DG B 12 7.838 4.471 -8.651 1.00 0.00 O ATOM 352 C2' DG B 12 5.517 4.060 -9.013 1.00 0.00 C ATOM 353 C1' DG B 12 5.380 2.912 -8.023 1.00 0.00 C ATOM 354 N9 DG B 12 4.066 2.189 -8.020 1.00 0.00 N ATOM 355 C8 DG B 12 2.757 2.658 -8.081 1.00 0.00 C ATOM 356 N7 DG B 12 1.852 1.747 -7.875 1.00 0.00 N ATOM 357 C5 DG B 12 2.583 0.591 -7.655 1.00 0.00 C ATOM 358 C6 DG B 12 2.135 -0.731 -7.376 1.00 0.00 C ATOM 359 O6 DG B 12 0.977 -1.131 -7.295 1.00 0.00 O ATOM 360 N1 DG B 12 3.175 -1.628 -7.200 1.00 0.00 N ATOM 361 C2 DG B 12 4.504 -1.287 -7.268 1.00 0.00 C ATOM 362 N2 DG B 12 5.403 -2.237 -7.036 1.00 0.00 N ATOM 363 N3 DG B 12 4.938 -0.051 -7.548 1.00 0.00 N ATOM 364 C4 DG B 12 3.930 0.846 -7.732 1.00 0.00 C ATOM 0 H5' DG B 12 4.797 5.301 -5.355 1.00 0.00 H new ATOM 0 H5'' DG B 12 5.815 6.619 -5.901 1.00 0.00 H new ATOM 0 H4' DG B 12 7.140 4.874 -6.427 1.00 0.00 H new ATOM 0 H3' DG B 12 6.547 6.005 -8.704 1.00 0.00 H new ATOM 0 H2' DG B 12 4.568 4.574 -9.163 1.00 0.00 H new ATOM 0 H2'' DG B 12 5.847 3.708 -9.990 1.00 0.00 H new ATOM 0 HO3' DG B 12 8.050 4.616 -9.597 1.00 0.00 H new ATOM 0 H1' DG B 12 6.111 2.152 -8.300 1.00 0.00 H new ATOM 0 H8 DG B 12 2.513 3.691 -8.282 1.00 0.00 H new ATOM 0 H1 DG B 12 2.940 -2.602 -7.008 1.00 0.00 H new ATOM 0 H21 DG B 12 6.398 -2.018 -7.078 1.00 0.00 H new ATOM 0 H22 DG B 12 5.098 -3.185 -6.816 1.00 0.00 H new TER 376 DG B 12 END