USER MOD reduce.3.24.130724 H: found=0, std=0, add=102, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 102 hydrogens (8 hets) 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: A 1 DC O5' : rot -96:sc= 1.04 USER MOD Set 1.2: A 9 DG O3' : rot -174:sc= 0.895 USER MOD Single : A 2 DT C7 :methyl 150:sc= -0.13 (180deg=-0.13) USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.066 (180deg=-0.066) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.676 (180deg=-0.676) USER MOD Single : A 8 DT C7 :methyl -30:sc=-0.00178 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.517 -4.958 12.659 1.00 0.00 O ATOM 2 C5' DC A 1 -8.873 -6.129 12.160 1.00 0.00 C ATOM 3 C4' DC A 1 -7.527 -5.805 11.490 1.00 0.00 C ATOM 4 O4' DC A 1 -6.536 -5.550 12.457 1.00 0.00 O ATOM 5 C3' DC A 1 -6.945 -6.917 10.602 1.00 0.00 C ATOM 6 O3' DC A 1 -7.185 -6.640 9.236 1.00 0.00 O ATOM 7 C2' DC A 1 -5.444 -6.903 10.921 1.00 0.00 C ATOM 8 C1' DC A 1 -5.306 -5.666 11.793 1.00 0.00 C ATOM 9 N1 DC A 1 -4.183 -5.803 12.733 1.00 0.00 N ATOM 10 C2 DC A 1 -2.975 -5.176 12.428 1.00 0.00 C ATOM 11 O2 DC A 1 -2.855 -4.474 11.426 1.00 0.00 O ATOM 12 N3 DC A 1 -1.896 -5.367 13.225 1.00 0.00 N ATOM 13 C4 DC A 1 -1.988 -6.198 14.246 1.00 0.00 C ATOM 14 N4 DC A 1 -0.916 -6.298 14.989 1.00 0.00 N ATOM 15 C5 DC A 1 -3.175 -6.936 14.526 1.00 0.00 C ATOM 16 C6 DC A 1 -4.263 -6.693 13.765 1.00 0.00 C ATOM 0 H5' DC A 1 -9.526 -6.623 11.441 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.711 -6.830 12.978 1.00 0.00 H new ATOM 0 H4' DC A 1 -7.764 -4.943 10.866 1.00 0.00 H new ATOM 0 H3' DC A 1 -7.396 -7.891 10.791 1.00 0.00 H new ATOM 0 H2' DC A 1 -5.132 -7.806 11.445 1.00 0.00 H new ATOM 0 H2'' DC A 1 -4.838 -6.833 10.018 1.00 0.00 H new ATOM 0 HO5' DC A 1 -9.315 -4.855 13.613 1.00 0.00 H new ATOM 0 H1' DC A 1 -5.085 -4.773 11.209 1.00 0.00 H new ATOM 0 H41 DC A 1 -0.912 -6.921 15.797 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.085 -5.753 14.761 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.203 -7.666 15.321 1.00 0.00 H new ATOM 0 H6 DC A 1 -5.193 -7.201 13.972 1.00 0.00 H new ATOM 29 P DT A 2 -6.847 -7.713 8.096 1.00 0.00 P ATOM 30 OP1 DT A 2 -7.525 -7.298 6.850 1.00 0.00 O ATOM 31 OP2 DT A 2 -7.222 -9.062 8.572 1.00 0.00 O ATOM 32 O5' DT A 2 -5.252 -7.621 7.904 1.00 0.00 O ATOM 33 C5' DT A 2 -4.616 -8.151 6.758 1.00 0.00 C ATOM 34 C4' DT A 2 -3.199 -7.593 6.550 1.00 0.00 C ATOM 35 O4' DT A 2 -3.261 -6.195 6.328 1.00 0.00 O ATOM 36 C3' DT A 2 -2.270 -7.860 7.739 1.00 0.00 C ATOM 37 O3' DT A 2 -1.146 -8.664 7.350 1.00 0.00 O ATOM 38 C2' DT A 2 -1.946 -6.465 8.295 1.00 0.00 C ATOM 39 C1' DT A 2 -2.300 -5.533 7.132 1.00 0.00 C ATOM 40 N1 DT A 2 -2.880 -4.252 7.606 1.00 0.00 N ATOM 41 C2 DT A 2 -2.071 -3.115 7.603 1.00 0.00 C ATOM 42 O2 DT A 2 -0.865 -3.133 7.382 1.00 0.00 O ATOM 43 N3 DT A 2 -2.666 -1.931 7.967 1.00 0.00 N ATOM 44 C4 DT A 2 -3.948 -1.796 8.460 1.00 0.00 C ATOM 45 O4 DT A 2 -4.322 -0.682 8.814 1.00 0.00 O ATOM 46 C5 DT A 2 -4.722 -3.035 8.506 1.00 0.00 C ATOM 47 C7 DT A 2 -6.153 -3.024 9.012 1.00 0.00 C ATOM 48 C6 DT A 2 -4.175 -4.202 8.075 1.00 0.00 C ATOM 0 H5' DT A 2 -5.221 -7.931 5.878 1.00 0.00 H new ATOM 0 H5'' DT A 2 -4.565 -9.236 6.846 1.00 0.00 H new ATOM 0 H4' DT A 2 -2.786 -8.109 5.683 1.00 0.00 H new ATOM 0 H3' DT A 2 -2.717 -8.463 8.529 1.00 0.00 H new ATOM 0 H2' DT A 2 -2.534 -6.240 9.185 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.896 -6.377 8.576 1.00 0.00 H new ATOM 0 H1' DT A 2 -1.391 -5.303 6.577 1.00 0.00 H new ATOM 0 H3 DT A 2 -2.113 -1.080 7.864 1.00 0.00 H new ATOM 0 H71 DT A 2 -6.721 -3.811 8.515 1.00 0.00 H new ATOM 0 H72 DT A 2 -6.160 -3.196 10.088 1.00 0.00 H new ATOM 0 H73 DT A 2 -6.608 -2.057 8.796 1.00 0.00 H new ATOM 0 H6 DT A 2 -4.765 -5.106 8.100 1.00 0.00 H new ATOM 61 P DT A 3 0.133 -8.141 6.498 1.00 0.00 P ATOM 62 OP1 DT A 3 -0.231 -7.037 5.596 1.00 0.00 O ATOM 63 OP2 DT A 3 0.932 -9.259 5.948 1.00 0.00 O ATOM 64 O5' DT A 3 1.057 -7.561 7.652 1.00 0.00 O ATOM 65 C5' DT A 3 1.535 -6.231 7.675 1.00 0.00 C ATOM 66 C4' DT A 3 2.473 -6.121 8.870 1.00 0.00 C ATOM 67 O4' DT A 3 1.816 -6.209 10.114 1.00 0.00 O ATOM 68 C3' DT A 3 3.568 -7.221 8.822 1.00 0.00 C ATOM 69 O3' DT A 3 4.905 -6.799 8.621 1.00 0.00 O ATOM 70 C2' DT A 3 3.444 -7.937 10.159 1.00 0.00 C ATOM 71 C1' DT A 3 2.580 -7.006 11.003 1.00 0.00 C ATOM 72 N1 DT A 3 1.634 -7.772 11.849 1.00 0.00 N ATOM 73 C2 DT A 3 1.921 -7.973 13.201 1.00 0.00 C ATOM 74 O2 DT A 3 2.938 -7.541 13.752 1.00 0.00 O ATOM 75 N3 DT A 3 0.967 -8.656 13.933 1.00 0.00 N ATOM 76 C4 DT A 3 -0.300 -8.997 13.490 1.00 0.00 C ATOM 77 O4 DT A 3 -1.084 -9.495 14.289 1.00 0.00 O ATOM 78 C5 DT A 3 -0.554 -8.685 12.084 1.00 0.00 C ATOM 79 C7 DT A 3 -1.925 -8.843 11.452 1.00 0.00 C ATOM 80 C6 DT A 3 0.425 -8.154 11.315 1.00 0.00 C ATOM 0 H5' DT A 3 0.709 -5.525 7.765 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.059 -5.992 6.749 1.00 0.00 H new ATOM 0 H4' DT A 3 2.917 -5.128 8.791 1.00 0.00 H new ATOM 0 H3' DT A 3 3.387 -7.836 7.941 1.00 0.00 H new ATOM 0 H2' DT A 3 2.980 -8.917 10.045 1.00 0.00 H new ATOM 0 H2'' DT A 3 4.420 -8.098 10.616 1.00 0.00 H new ATOM 0 H1' DT A 3 3.225 -6.409 11.647 1.00 0.00 H new ATOM 0 H3 DT A 3 1.218 -8.933 14.882 1.00 0.00 H new ATOM 0 H71 DT A 3 -2.043 -8.113 10.651 1.00 0.00 H new ATOM 0 H72 DT A 3 -2.024 -9.849 11.044 1.00 0.00 H new ATOM 0 H73 DT A 3 -2.694 -8.680 12.207 1.00 0.00 H new ATOM 0 H6 DT A 3 0.253 -8.027 10.256 1.00 0.00 H new ATOM 93 P DG A 4 5.428 -6.309 7.175 1.00 0.00 P ATOM 94 OP1 DG A 4 4.540 -6.886 6.133 1.00 0.00 O ATOM 95 OP2 DG A 4 6.900 -6.486 7.106 1.00 0.00 O ATOM 96 O5' DG A 4 5.181 -4.734 7.301 1.00 0.00 O ATOM 97 C5' DG A 4 5.710 -4.057 8.425 1.00 0.00 C ATOM 98 C4' DG A 4 5.518 -2.545 8.359 1.00 0.00 C ATOM 99 O4' DG A 4 4.168 -2.229 8.670 1.00 0.00 O ATOM 100 C3' DG A 4 6.412 -1.837 9.396 1.00 0.00 C ATOM 101 O3' DG A 4 7.515 -1.124 8.866 1.00 0.00 O ATOM 102 C2' DG A 4 5.441 -0.820 9.947 1.00 0.00 C ATOM 103 C1' DG A 4 4.123 -1.551 9.909 1.00 0.00 C ATOM 104 N9 DG A 4 3.868 -2.487 11.032 1.00 0.00 N ATOM 105 C8 DG A 4 4.640 -2.922 12.097 1.00 0.00 C ATOM 106 N7 DG A 4 4.003 -3.716 12.926 1.00 0.00 N ATOM 107 C5 DG A 4 2.696 -3.722 12.425 1.00 0.00 C ATOM 108 C6 DG A 4 1.488 -4.299 12.940 1.00 0.00 C ATOM 109 O6 DG A 4 1.350 -4.983 13.955 1.00 0.00 O ATOM 110 N1 DG A 4 0.380 -4.026 12.167 1.00 0.00 N ATOM 111 C2 DG A 4 0.420 -3.308 11.011 1.00 0.00 C ATOM 112 N2 DG A 4 -0.677 -3.213 10.310 1.00 0.00 N ATOM 113 N3 DG A 4 1.515 -2.752 10.511 1.00 0.00 N ATOM 114 C4 DG A 4 2.620 -2.988 11.269 1.00 0.00 C ATOM 0 H5' DG A 4 6.774 -4.279 8.507 1.00 0.00 H new ATOM 0 H5'' DG A 4 5.234 -4.438 9.328 1.00 0.00 H new ATOM 0 H4' DG A 4 5.780 -2.213 7.355 1.00 0.00 H new ATOM 0 H3' DG A 4 6.858 -2.558 10.081 1.00 0.00 H new ATOM 0 H2' DG A 4 5.705 -0.518 10.960 1.00 0.00 H new ATOM 0 H2'' DG A 4 5.418 0.085 9.340 1.00 0.00 H new ATOM 0 H1' DG A 4 3.297 -0.847 10.016 1.00 0.00 H new ATOM 0 H8 DG A 4 5.672 -2.634 12.233 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.523 -4.383 12.479 1.00 0.00 H new ATOM 0 H21 DG A 4 -0.681 -2.682 9.439 1.00 0.00 H new ATOM 0 H22 DG A 4 -1.530 -3.669 10.633 1.00 0.00 H new HETATM 126 O5' 3DR A 5 9.235 -1.881 10.522 1.00 0.00 O HETATM 127 P 3DR A 5 8.996 -1.728 8.928 1.00 0.00 P HETATM 128 OP1 3DR A 5 9.900 -0.674 8.412 1.00 0.00 O HETATM 129 OP2 3DR A 5 8.960 -3.075 8.301 1.00 0.00 O HETATM 130 C2' 3DR A 5 7.727 0.988 13.959 1.00 0.00 C HETATM 131 C5' 3DR A 5 9.523 -0.787 11.398 1.00 0.00 C HETATM 132 C4' 3DR A 5 8.301 0.047 11.820 1.00 0.00 C HETATM 133 O4' 3DR A 5 7.421 -0.802 12.557 1.00 0.00 O HETATM 134 C1' 3DR A 5 7.580 -0.523 13.929 1.00 0.00 C HETATM 135 C3' 3DR A 5 8.684 1.198 12.794 1.00 0.00 C HETATM 136 O3' 3DR A 5 8.590 2.579 12.429 1.00 0.00 O HETATM 0 H5'' 3DR A 5 10.005 -1.176 12.295 1.00 0.00 H new HETATM 0 H4'1 3DR A 5 7.858 0.461 10.914 1.00 0.00 H new HETATM 0 H2'' 3DR A 5 6.776 1.500 13.811 1.00 0.00 H new HETATM 0 H1'2 3DR A 5 8.457 -1.021 14.343 1.00 0.00 H new HETATM 0 H1'1 3DR A 5 6.720 -0.856 14.510 1.00 0.00 H new HETATM 0 H5' 3DR A 5 10.242 -0.129 10.909 1.00 0.00 H new HETATM 0 H3' 3DR A 5 9.761 1.098 12.927 1.00 0.00 H new HETATM 0 H2' 3DR A 5 8.138 1.346 14.903 1.00 0.00 H new ATOM 145 P DC A 6 7.818 3.181 11.152 1.00 0.00 P ATOM 146 OP1 DC A 6 8.541 2.744 9.934 1.00 0.00 O ATOM 147 OP2 DC A 6 7.550 4.623 11.393 1.00 0.00 O ATOM 148 O5' DC A 6 6.377 2.501 11.127 1.00 0.00 O ATOM 149 C5' DC A 6 5.531 2.708 10.009 1.00 0.00 C ATOM 150 C4' DC A 6 4.066 2.571 10.416 1.00 0.00 C ATOM 151 O4' DC A 6 3.749 1.312 10.977 1.00 0.00 O ATOM 152 C3' DC A 6 3.700 3.635 11.445 1.00 0.00 C ATOM 153 O3' DC A 6 2.767 4.538 10.877 1.00 0.00 O ATOM 154 C2' DC A 6 3.150 2.840 12.621 1.00 0.00 C ATOM 155 C1' DC A 6 2.767 1.517 11.962 1.00 0.00 C ATOM 156 N1 DC A 6 2.755 0.390 12.926 1.00 0.00 N ATOM 157 C2 DC A 6 1.542 -0.252 13.197 1.00 0.00 C ATOM 158 O2 DC A 6 0.518 0.027 12.579 1.00 0.00 O ATOM 159 N3 DC A 6 1.474 -1.198 14.168 1.00 0.00 N ATOM 160 C4 DC A 6 2.560 -1.471 14.871 1.00 0.00 C ATOM 161 N4 DC A 6 2.443 -2.365 15.820 1.00 0.00 N ATOM 162 C5 DC A 6 3.815 -0.842 14.638 1.00 0.00 C ATOM 163 C6 DC A 6 3.886 0.065 13.635 1.00 0.00 C ATOM 0 H5' DC A 6 5.767 1.985 9.228 1.00 0.00 H new ATOM 0 H5'' DC A 6 5.707 3.699 9.590 1.00 0.00 H new ATOM 0 H4' DC A 6 3.498 2.689 9.493 1.00 0.00 H new ATOM 0 H3' DC A 6 4.533 4.258 11.769 1.00 0.00 H new ATOM 0 H2' DC A 6 3.895 2.704 13.405 1.00 0.00 H new ATOM 0 H2'' DC A 6 2.291 3.331 13.079 1.00 0.00 H new ATOM 0 H1' DC A 6 1.757 1.559 11.553 1.00 0.00 H new ATOM 0 H41 DC A 6 3.251 -2.611 16.391 1.00 0.00 H new ATOM 0 H42 DC A 6 1.543 -2.815 15.988 1.00 0.00 H new ATOM 0 H5 DC A 6 4.680 -1.080 15.240 1.00 0.00 H new ATOM 0 H6 DC A 6 4.829 0.532 13.393 1.00 0.00 H new ATOM 175 P DT A 7 2.494 5.969 11.540 1.00 0.00 P ATOM 176 OP1 DT A 7 1.893 6.823 10.488 1.00 0.00 O ATOM 177 OP2 DT A 7 3.759 6.383 12.202 1.00 0.00 O ATOM 178 O5' DT A 7 1.363 5.570 12.622 1.00 0.00 O ATOM 179 C5' DT A 7 0.124 6.261 12.746 1.00 0.00 C ATOM 180 C4' DT A 7 -1.011 5.353 13.254 1.00 0.00 C ATOM 181 O4' DT A 7 -1.546 4.596 12.193 1.00 0.00 O ATOM 182 C3' DT A 7 -0.636 4.404 14.402 1.00 0.00 C ATOM 183 O3' DT A 7 -1.410 4.610 15.592 1.00 0.00 O ATOM 184 C2' DT A 7 -0.752 3.025 13.749 1.00 0.00 C ATOM 185 C1' DT A 7 -1.758 3.266 12.626 1.00 0.00 C ATOM 186 N1 DT A 7 -1.514 2.408 11.454 1.00 0.00 N ATOM 187 C2 DT A 7 -2.467 1.460 11.085 1.00 0.00 C ATOM 188 O2 DT A 7 -3.428 1.145 11.782 1.00 0.00 O ATOM 189 N3 DT A 7 -2.279 0.846 9.869 1.00 0.00 N ATOM 190 C4 DT A 7 -1.234 1.081 8.996 1.00 0.00 C ATOM 191 O4 DT A 7 -1.198 0.449 7.944 1.00 0.00 O ATOM 192 C5 DT A 7 -0.291 2.105 9.445 1.00 0.00 C ATOM 193 C7 DT A 7 0.824 2.623 8.573 1.00 0.00 C ATOM 194 C6 DT A 7 -0.451 2.707 10.644 1.00 0.00 C ATOM 0 H5' DT A 7 -0.154 6.677 11.778 1.00 0.00 H new ATOM 0 H5'' DT A 7 0.247 7.100 13.430 1.00 0.00 H new ATOM 0 H4' DT A 7 -1.747 6.045 13.664 1.00 0.00 H new ATOM 0 H3' DT A 7 0.364 4.567 14.803 1.00 0.00 H new ATOM 0 H2' DT A 7 0.207 2.677 13.365 1.00 0.00 H new ATOM 0 H2'' DT A 7 -1.105 2.272 14.454 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.760 3.061 13.003 1.00 0.00 H new ATOM 0 H3 DT A 7 -2.974 0.155 9.586 1.00 0.00 H new ATOM 0 H71 DT A 7 1.041 3.658 8.836 1.00 0.00 H new ATOM 0 H72 DT A 7 1.716 2.016 8.724 1.00 0.00 H new ATOM 0 H73 DT A 7 0.522 2.570 7.527 1.00 0.00 H new ATOM 0 H6 DT A 7 0.274 3.438 10.970 1.00 0.00 H new ATOM 207 P DT A 8 -2.958 4.174 15.813 1.00 0.00 P ATOM 208 OP1 DT A 8 -3.743 4.365 14.583 1.00 0.00 O ATOM 209 OP2 DT A 8 -3.495 4.756 17.064 1.00 0.00 O ATOM 210 O5' DT A 8 -2.839 2.607 16.112 1.00 0.00 O ATOM 211 C5' DT A 8 -3.702 1.633 15.543 1.00 0.00 C ATOM 212 C4' DT A 8 -3.768 0.431 16.498 1.00 0.00 C ATOM 213 O4' DT A 8 -2.529 -0.258 16.462 1.00 0.00 O ATOM 214 C3' DT A 8 -4.027 0.875 17.950 1.00 0.00 C ATOM 215 O3' DT A 8 -5.144 0.239 18.544 1.00 0.00 O ATOM 216 C2' DT A 8 -2.743 0.536 18.690 1.00 0.00 C ATOM 217 C1' DT A 8 -2.027 -0.449 17.770 1.00 0.00 C ATOM 218 N1 DT A 8 -0.555 -0.228 17.780 1.00 0.00 N ATOM 219 C2 DT A 8 0.224 -1.074 18.575 1.00 0.00 C ATOM 220 O2 DT A 8 -0.234 -1.954 19.294 1.00 0.00 O ATOM 221 N3 DT A 8 1.585 -0.864 18.555 1.00 0.00 N ATOM 222 C4 DT A 8 2.244 0.104 17.827 1.00 0.00 C ATOM 223 O4 DT A 8 3.471 0.123 17.855 1.00 0.00 O ATOM 224 C5 DT A 8 1.368 1.004 17.077 1.00 0.00 C ATOM 225 C7 DT A 8 1.968 2.157 16.292 1.00 0.00 C ATOM 226 C6 DT A 8 0.019 0.818 17.079 1.00 0.00 C ATOM 0 H5' DT A 8 -3.332 1.322 14.566 1.00 0.00 H new ATOM 0 H5'' DT A 8 -4.697 2.051 15.389 1.00 0.00 H new ATOM 0 H4' DT A 8 -4.588 -0.210 16.174 1.00 0.00 H new ATOM 0 H3' DT A 8 -4.274 1.936 17.990 1.00 0.00 H new ATOM 0 H2' DT A 8 -2.139 1.426 18.867 1.00 0.00 H new ATOM 0 H2'' DT A 8 -2.950 0.092 19.664 1.00 0.00 H new ATOM 0 H1' DT A 8 -2.207 -1.467 18.116 1.00 0.00 H new ATOM 0 H3 DT A 8 2.158 -1.481 19.131 1.00 0.00 H new ATOM 0 H71 DT A 8 2.884 2.491 16.779 1.00 0.00 H new ATOM 0 H72 DT A 8 2.196 1.827 15.278 1.00 0.00 H new ATOM 0 H73 DT A 8 1.256 2.981 16.254 1.00 0.00 H new ATOM 0 H6 DT A 8 -0.612 1.497 16.525 1.00 0.00 H new ATOM 239 P DG A 9 -6.653 0.704 18.200 1.00 0.00 P ATOM 240 OP1 DG A 9 -6.587 2.095 17.675 1.00 0.00 O ATOM 241 OP2 DG A 9 -7.514 0.396 19.358 1.00 0.00 O ATOM 242 O5' DG A 9 -7.061 -0.273 16.989 1.00 0.00 O ATOM 243 C5' DG A 9 -7.213 -1.668 17.194 1.00 0.00 C ATOM 244 C4' DG A 9 -7.693 -2.328 15.887 1.00 0.00 C ATOM 245 O4' DG A 9 -6.639 -2.380 14.945 1.00 0.00 O ATOM 246 C3' DG A 9 -8.191 -3.779 16.042 1.00 0.00 C ATOM 247 O3' DG A 9 -9.348 -4.035 15.251 1.00 0.00 O ATOM 248 C2' DG A 9 -7.066 -4.656 15.497 1.00 0.00 C ATOM 249 C1' DG A 9 -6.026 -3.655 14.970 1.00 0.00 C ATOM 250 N9 DG A 9 -4.729 -3.625 15.695 1.00 0.00 N ATOM 251 C8 DG A 9 -4.330 -4.278 16.839 1.00 0.00 C ATOM 252 N7 DG A 9 -3.049 -4.228 17.068 1.00 0.00 N ATOM 253 C5 DG A 9 -2.552 -3.462 16.013 1.00 0.00 C ATOM 254 C6 DG A 9 -1.212 -3.069 15.675 1.00 0.00 C ATOM 255 O6 DG A 9 -0.154 -3.335 16.238 1.00 0.00 O ATOM 256 N1 DG A 9 -1.144 -2.278 14.545 1.00 0.00 N ATOM 257 C2 DG A 9 -2.232 -1.891 13.822 1.00 0.00 C ATOM 258 N2 DG A 9 -2.019 -1.006 12.880 1.00 0.00 N ATOM 259 N3 DG A 9 -3.481 -2.281 14.071 1.00 0.00 N ATOM 260 C4 DG A 9 -3.580 -3.061 15.189 1.00 0.00 C ATOM 0 H5' DG A 9 -7.931 -1.853 17.993 1.00 0.00 H new ATOM 0 H5'' DG A 9 -6.266 -2.106 17.509 1.00 0.00 H new ATOM 0 H4' DG A 9 -8.527 -1.704 15.566 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.446 -3.972 17.084 1.00 0.00 H new ATOM 0 H2' DG A 9 -6.646 -5.293 16.275 1.00 0.00 H new ATOM 0 H2'' DG A 9 -7.423 -5.314 14.704 1.00 0.00 H new ATOM 0 HO3' DG A 9 -9.687 -4.933 15.448 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.735 -3.986 13.973 1.00 0.00 H new ATOM 0 H8 DG A 9 -5.022 -4.789 17.492 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.225 -1.965 14.233 1.00 0.00 H new ATOM 0 H21 DG A 9 -2.794 -0.677 12.305 1.00 0.00 H new ATOM 0 H22 DG A 9 -1.078 -0.646 12.722 1.00 0.00 H new TER 273 DG A 9 HETATM 274 NA NA A 101 8.566 -5.020 7.299 1.00 0.00 NA HETATM 275 NA NA A 102 5.996 6.075 12.116 1.00 0.00 NA HETATM 276 NA NA A 103 2.855 -8.176 5.423 1.00 0.00 NA HETATM 277 NA NA A 104 -5.615 4.029 17.200 1.00 0.00 NA HETATM 278 NA NA A 105 9.587 1.505 8.451 1.00 0.00 NA HETATM 279 NA NA A 106 3.523 -5.477 14.649 1.00 0.00 NA HETATM 280 NA NA A 107 -8.762 -9.234 6.853 1.00 0.00 NA HETATM 281 NA NA A 108 0.853 7.723 8.802 1.00 0.00 NA