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 171:sc= 0.999 USER MOD Set 1.2: A 9 DG O3' : rot 70:sc= 1.2 USER MOD Single : A 2 DT C7 :methyl 150:sc= -0.0149 (180deg=-0.0149) USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.125 (180deg=-0.125) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.0603 (180deg=-0.0603) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.264) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.203 -4.764 12.876 1.00 0.00 O ATOM 2 C5' DC A 1 -8.767 -5.937 12.192 1.00 0.00 C ATOM 3 C4' DC A 1 -7.425 -5.696 11.484 1.00 0.00 C ATOM 4 O4' DC A 1 -6.404 -5.485 12.430 1.00 0.00 O ATOM 5 C3' DC A 1 -6.920 -6.850 10.607 1.00 0.00 C ATOM 6 O3' DC A 1 -7.197 -6.600 9.244 1.00 0.00 O ATOM 7 C2' DC A 1 -5.410 -6.884 10.881 1.00 0.00 C ATOM 8 C1' DC A 1 -5.194 -5.656 11.749 1.00 0.00 C ATOM 9 N1 DC A 1 -4.060 -5.831 12.672 1.00 0.00 N ATOM 10 C2 DC A 1 -2.857 -5.191 12.374 1.00 0.00 C ATOM 11 O2 DC A 1 -2.759 -4.457 11.394 1.00 0.00 O ATOM 12 N3 DC A 1 -1.763 -5.407 13.145 1.00 0.00 N ATOM 13 C4 DC A 1 -1.834 -6.291 14.124 1.00 0.00 C ATOM 14 N4 DC A 1 -0.737 -6.472 14.814 1.00 0.00 N ATOM 15 C5 DC A 1 -3.022 -7.033 14.406 1.00 0.00 C ATOM 16 C6 DC A 1 -4.126 -6.753 13.679 1.00 0.00 C ATOM 0 H5' DC A 1 -9.519 -6.237 11.462 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.666 -6.759 12.901 1.00 0.00 H new ATOM 0 H4' DC A 1 -7.630 -4.835 10.847 1.00 0.00 H new ATOM 0 H3' DC A 1 -7.401 -7.802 10.832 1.00 0.00 H new ATOM 0 H2' DC A 1 -5.113 -7.799 11.394 1.00 0.00 H new ATOM 0 H2'' DC A 1 -4.831 -6.834 9.959 1.00 0.00 H new ATOM 0 HO5' DC A 1 -10.120 -4.894 13.195 1.00 0.00 H new ATOM 0 H1' DC A 1 -4.935 -4.778 11.157 1.00 0.00 H new ATOM 0 H41 DC A 1 -0.723 -7.141 15.584 1.00 0.00 H new ATOM 0 H42 DC A 1 0.104 -5.944 14.582 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.037 -7.792 15.174 1.00 0.00 H new ATOM 0 H6 DC A 1 -5.057 -7.256 13.893 1.00 0.00 H new ATOM 29 P DT A 2 -6.890 -7.701 8.119 1.00 0.00 P ATOM 30 OP1 DT A 2 -7.610 -7.318 6.887 1.00 0.00 O ATOM 31 OP2 DT A 2 -7.241 -9.037 8.644 1.00 0.00 O ATOM 32 O5' DT A 2 -5.305 -7.608 7.876 1.00 0.00 O ATOM 33 C5' DT A 2 -4.700 -8.102 6.698 1.00 0.00 C ATOM 34 C4' DT A 2 -3.263 -7.581 6.523 1.00 0.00 C ATOM 35 O4' DT A 2 -3.291 -6.180 6.325 1.00 0.00 O ATOM 36 C3' DT A 2 -2.366 -7.885 7.727 1.00 0.00 C ATOM 37 O3' DT A 2 -1.245 -8.697 7.353 1.00 0.00 O ATOM 38 C2' DT A 2 -2.024 -6.511 8.321 1.00 0.00 C ATOM 39 C1' DT A 2 -2.341 -5.552 7.168 1.00 0.00 C ATOM 40 N1 DT A 2 -2.922 -4.273 7.641 1.00 0.00 N ATOM 41 C2 DT A 2 -2.112 -3.138 7.631 1.00 0.00 C ATOM 42 O2 DT A 2 -0.909 -3.154 7.388 1.00 0.00 O ATOM 43 N3 DT A 2 -2.703 -1.952 7.996 1.00 0.00 N ATOM 44 C4 DT A 2 -3.995 -1.810 8.456 1.00 0.00 C ATOM 45 O4 DT A 2 -4.370 -0.695 8.802 1.00 0.00 O ATOM 46 C5 DT A 2 -4.780 -3.041 8.482 1.00 0.00 C ATOM 47 C7 DT A 2 -6.228 -3.011 8.938 1.00 0.00 C ATOM 48 C6 DT A 2 -4.231 -4.214 8.074 1.00 0.00 C ATOM 0 H5' DT A 2 -5.298 -7.811 5.834 1.00 0.00 H new ATOM 0 H5'' DT A 2 -4.689 -9.192 6.726 1.00 0.00 H new ATOM 0 H4' DT A 2 -2.844 -8.096 5.659 1.00 0.00 H new ATOM 0 H3' DT A 2 -2.850 -8.494 8.490 1.00 0.00 H new ATOM 0 H2' DT A 2 -2.623 -6.292 9.205 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.978 -6.450 8.622 1.00 0.00 H new ATOM 0 H1' DT A 2 -1.409 -5.328 6.649 1.00 0.00 H new ATOM 0 H3 DT A 2 -2.138 -1.106 7.920 1.00 0.00 H new ATOM 0 H71 DT A 2 -6.787 -3.795 8.427 1.00 0.00 H new ATOM 0 H72 DT A 2 -6.274 -3.175 10.015 1.00 0.00 H new ATOM 0 H73 DT A 2 -6.664 -2.041 8.700 1.00 0.00 H new ATOM 0 H6 DT A 2 -4.828 -5.114 8.089 1.00 0.00 H new ATOM 61 P DT A 3 0.058 -8.181 6.532 1.00 0.00 P ATOM 62 OP1 DT A 3 -0.274 -7.067 5.629 1.00 0.00 O ATOM 63 OP2 DT A 3 0.842 -9.306 5.978 1.00 0.00 O ATOM 64 O5' DT A 3 0.983 -7.616 7.695 1.00 0.00 O ATOM 65 C5' DT A 3 1.463 -6.285 7.737 1.00 0.00 C ATOM 66 C4' DT A 3 2.404 -6.180 8.930 1.00 0.00 C ATOM 67 O4' DT A 3 1.757 -6.300 10.175 1.00 0.00 O ATOM 68 C3' DT A 3 3.519 -7.252 8.854 1.00 0.00 C ATOM 69 O3' DT A 3 4.830 -6.785 8.602 1.00 0.00 O ATOM 70 C2' DT A 3 3.458 -7.966 10.195 1.00 0.00 C ATOM 71 C1' DT A 3 2.525 -7.115 11.050 1.00 0.00 C ATOM 72 N1 DT A 3 1.581 -7.965 11.813 1.00 0.00 N ATOM 73 C2 DT A 3 1.907 -8.358 13.112 1.00 0.00 C ATOM 74 O2 DT A 3 3.002 -8.167 13.628 1.00 0.00 O ATOM 75 N3 DT A 3 0.917 -9.011 13.820 1.00 0.00 N ATOM 76 C4 DT A 3 -0.373 -9.243 13.381 1.00 0.00 C ATOM 77 O4 DT A 3 -1.181 -9.727 14.169 1.00 0.00 O ATOM 78 C5 DT A 3 -0.618 -8.854 11.992 1.00 0.00 C ATOM 79 C7 DT A 3 -1.960 -9.031 11.319 1.00 0.00 C ATOM 80 C6 DT A 3 0.368 -8.292 11.256 1.00 0.00 C ATOM 0 H5' DT A 3 0.636 -5.581 7.837 1.00 0.00 H new ATOM 0 H5'' DT A 3 1.985 -6.035 6.813 1.00 0.00 H new ATOM 0 H4' DT A 3 2.827 -5.177 8.869 1.00 0.00 H new ATOM 0 H3' DT A 3 3.327 -7.887 7.989 1.00 0.00 H new ATOM 0 H2' DT A 3 3.077 -8.981 10.085 1.00 0.00 H new ATOM 0 H2'' DT A 3 4.447 -8.044 10.647 1.00 0.00 H new ATOM 0 H1' DT A 3 3.121 -6.527 11.747 1.00 0.00 H new ATOM 0 H3 DT A 3 1.160 -9.353 14.750 1.00 0.00 H new ATOM 0 H71 DT A 3 -2.093 -8.257 10.564 1.00 0.00 H new ATOM 0 H72 DT A 3 -2.003 -10.012 10.845 1.00 0.00 H new ATOM 0 H73 DT A 3 -2.753 -8.953 12.063 1.00 0.00 H new ATOM 0 H6 DT A 3 0.198 -8.096 10.208 1.00 0.00 H new ATOM 93 P DG A 4 5.287 -6.295 7.135 1.00 0.00 P ATOM 94 OP1 DG A 4 4.353 -6.866 6.130 1.00 0.00 O ATOM 95 OP2 DG A 4 6.749 -6.507 7.007 1.00 0.00 O ATOM 96 O5' DG A 4 5.058 -4.713 7.265 1.00 0.00 O ATOM 97 C5' DG A 4 5.621 -4.037 8.374 1.00 0.00 C ATOM 98 C4' DG A 4 5.514 -2.512 8.298 1.00 0.00 C ATOM 99 O4' DG A 4 4.192 -2.099 8.623 1.00 0.00 O ATOM 100 C3' DG A 4 6.456 -1.853 9.324 1.00 0.00 C ATOM 101 O3' DG A 4 7.641 -1.271 8.801 1.00 0.00 O ATOM 102 C2' DG A 4 5.563 -0.759 9.877 1.00 0.00 C ATOM 103 C1' DG A 4 4.205 -1.430 9.869 1.00 0.00 C ATOM 104 N9 DG A 4 3.957 -2.381 10.988 1.00 0.00 N ATOM 105 C8 DG A 4 4.752 -2.824 12.026 1.00 0.00 C ATOM 106 N7 DG A 4 4.139 -3.619 12.862 1.00 0.00 N ATOM 107 C5 DG A 4 2.826 -3.669 12.386 1.00 0.00 C ATOM 108 C6 DG A 4 1.634 -4.301 12.892 1.00 0.00 C ATOM 109 O6 DG A 4 1.474 -5.015 13.881 1.00 0.00 O ATOM 110 N1 DG A 4 0.516 -4.038 12.124 1.00 0.00 N ATOM 111 C2 DG A 4 0.538 -3.310 10.972 1.00 0.00 C ATOM 112 N2 DG A 4 -0.558 -3.247 10.267 1.00 0.00 N ATOM 113 N3 DG A 4 1.612 -2.712 10.481 1.00 0.00 N ATOM 114 C4 DG A 4 2.722 -2.919 11.236 1.00 0.00 C ATOM 0 H5' DG A 4 6.672 -4.313 8.458 1.00 0.00 H new ATOM 0 H5'' DG A 4 5.128 -4.380 9.283 1.00 0.00 H new ATOM 0 H4' DG A 4 5.780 -2.213 7.284 1.00 0.00 H new ATOM 0 H3' DG A 4 6.840 -2.592 10.027 1.00 0.00 H new ATOM 0 H2' DG A 4 5.863 -0.455 10.880 1.00 0.00 H new ATOM 0 H2'' DG A 4 5.580 0.136 9.255 1.00 0.00 H new ATOM 0 H1' DG A 4 3.412 -0.695 10.006 1.00 0.00 H new ATOM 0 H8 DG A 4 5.788 -2.539 12.137 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.380 -4.411 12.438 1.00 0.00 H new ATOM 0 H21 DG A 4 -0.576 -2.711 9.400 1.00 0.00 H new ATOM 0 H22 DG A 4 -1.397 -3.734 10.583 1.00 0.00 H new HETATM 126 O5' 3DR A 5 9.212 -2.176 10.555 1.00 0.00 O HETATM 127 P 3DR A 5 9.052 -2.030 8.953 1.00 0.00 P HETATM 128 OP1 3DR A 5 10.055 -1.071 8.443 1.00 0.00 O HETATM 129 OP2 3DR A 5 8.919 -3.374 8.343 1.00 0.00 O HETATM 130 C2' 3DR A 5 8.032 0.957 13.908 1.00 0.00 C HETATM 131 C5' 3DR A 5 9.589 -1.106 11.424 1.00 0.00 C HETATM 132 C4' 3DR A 5 8.452 -0.147 11.806 1.00 0.00 C HETATM 133 O4' 3DR A 5 7.503 -0.853 12.600 1.00 0.00 O HETATM 134 C1' 3DR A 5 7.728 -0.529 13.953 1.00 0.00 C HETATM 135 C3' 3DR A 5 8.959 1.020 12.698 1.00 0.00 C HETATM 136 O3' 3DR A 5 8.977 2.368 12.221 1.00 0.00 O HETATM 0 H5'' 3DR A 5 10.008 -1.530 12.337 1.00 0.00 H new HETATM 0 H4'1 3DR A 5 8.031 0.241 10.878 1.00 0.00 H new HETATM 0 H2'' 3DR A 5 7.134 1.559 13.773 1.00 0.00 H new HETATM 0 H1'2 3DR A 5 8.559 -1.098 14.370 1.00 0.00 H new HETATM 0 H1'1 3DR A 5 6.854 -0.743 14.569 1.00 0.00 H new HETATM 0 H5' 3DR A 5 10.382 -0.532 10.945 1.00 0.00 H new HETATM 0 H3' 3DR A 5 10.027 0.846 12.831 1.00 0.00 H new HETATM 0 H2' 3DR A 5 8.517 1.308 14.819 1.00 0.00 H new ATOM 145 P DC A 6 8.182 2.927 10.931 1.00 0.00 P ATOM 146 OP1 DC A 6 8.629 2.185 9.733 1.00 0.00 O ATOM 147 OP2 DC A 6 8.388 4.388 11.014 1.00 0.00 O ATOM 148 O5' DC A 6 6.628 2.646 11.178 1.00 0.00 O ATOM 149 C5' DC A 6 5.710 2.871 10.122 1.00 0.00 C ATOM 150 C4' DC A 6 4.250 2.712 10.548 1.00 0.00 C ATOM 151 O4' DC A 6 3.966 1.451 11.127 1.00 0.00 O ATOM 152 C3' DC A 6 3.793 3.792 11.531 1.00 0.00 C ATOM 153 O3' DC A 6 2.817 4.570 10.859 1.00 0.00 O ATOM 154 C2' DC A 6 3.233 2.980 12.699 1.00 0.00 C ATOM 155 C1' DC A 6 2.914 1.633 12.050 1.00 0.00 C ATOM 156 N1 DC A 6 2.872 0.507 13.024 1.00 0.00 N ATOM 157 C2 DC A 6 1.644 -0.121 13.295 1.00 0.00 C ATOM 158 O2 DC A 6 0.608 0.197 12.715 1.00 0.00 O ATOM 159 N3 DC A 6 1.575 -1.115 14.219 1.00 0.00 N ATOM 160 C4 DC A 6 2.673 -1.467 14.866 1.00 0.00 C ATOM 161 N4 DC A 6 2.568 -2.476 15.694 1.00 0.00 N ATOM 162 C5 DC A 6 3.935 -0.846 14.645 1.00 0.00 C ATOM 163 C6 DC A 6 4.007 0.121 13.698 1.00 0.00 C ATOM 0 H5' DC A 6 5.923 2.175 9.310 1.00 0.00 H new ATOM 0 H5'' DC A 6 5.859 3.876 9.728 1.00 0.00 H new ATOM 0 H4' DC A 6 3.699 2.810 9.613 1.00 0.00 H new ATOM 0 H3' DC A 6 4.555 4.486 11.886 1.00 0.00 H new ATOM 0 H2' DC A 6 3.958 2.879 13.506 1.00 0.00 H new ATOM 0 H2'' DC A 6 2.344 3.445 13.126 1.00 0.00 H new ATOM 0 H1' DC A 6 1.923 1.637 11.596 1.00 0.00 H new ATOM 0 H41 DC A 6 3.383 -2.791 16.220 1.00 0.00 H new ATOM 0 H42 DC A 6 1.671 -2.947 15.813 1.00 0.00 H new ATOM 0 H5 DC A 6 4.806 -1.136 15.213 1.00 0.00 H new ATOM 0 H6 DC A 6 4.955 0.588 13.473 1.00 0.00 H new ATOM 175 P DT A 7 2.208 5.914 11.475 1.00 0.00 P ATOM 176 OP1 DT A 7 1.765 6.777 10.360 1.00 0.00 O ATOM 177 OP2 DT A 7 3.195 6.535 12.382 1.00 0.00 O ATOM 178 O5' DT A 7 0.936 5.406 12.302 1.00 0.00 O ATOM 179 C5' DT A 7 -0.215 6.210 12.488 1.00 0.00 C ATOM 180 C4' DT A 7 -1.353 5.396 13.117 1.00 0.00 C ATOM 181 O4' DT A 7 -1.940 4.551 12.151 1.00 0.00 O ATOM 182 C3' DT A 7 -0.923 4.551 14.324 1.00 0.00 C ATOM 183 O3' DT A 7 -1.735 4.744 15.488 1.00 0.00 O ATOM 184 C2' DT A 7 -0.891 3.139 13.736 1.00 0.00 C ATOM 185 C1' DT A 7 -1.942 3.222 12.629 1.00 0.00 C ATOM 186 N1 DT A 7 -1.625 2.371 11.471 1.00 0.00 N ATOM 187 C2 DT A 7 -2.531 1.386 11.087 1.00 0.00 C ATOM 188 O2 DT A 7 -3.487 1.025 11.771 1.00 0.00 O ATOM 189 N3 DT A 7 -2.290 0.770 9.884 1.00 0.00 N ATOM 190 C4 DT A 7 -1.223 1.017 9.043 1.00 0.00 C ATOM 191 O4 DT A 7 -1.144 0.373 8.001 1.00 0.00 O ATOM 192 C5 DT A 7 -0.319 2.068 9.512 1.00 0.00 C ATOM 193 C7 DT A 7 0.825 2.589 8.677 1.00 0.00 C ATOM 194 C6 DT A 7 -0.546 2.693 10.689 1.00 0.00 C ATOM 0 H5' DT A 7 -0.539 6.616 11.530 1.00 0.00 H new ATOM 0 H5'' DT A 7 0.028 7.058 13.128 1.00 0.00 H new ATOM 0 H4' DT A 7 -2.072 6.130 13.482 1.00 0.00 H new ATOM 0 H3' DT A 7 0.044 4.829 14.743 1.00 0.00 H new ATOM 0 H2' DT A 7 0.093 2.884 13.344 1.00 0.00 H new ATOM 0 H2'' DT A 7 -1.143 2.383 14.480 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.893 2.898 13.051 1.00 0.00 H new ATOM 0 H3 DT A 7 -2.962 0.064 9.583 1.00 0.00 H new ATOM 0 H71 DT A 7 1.012 3.633 8.927 1.00 0.00 H new ATOM 0 H72 DT A 7 1.720 2.001 8.880 1.00 0.00 H new ATOM 0 H73 DT A 7 0.570 2.509 7.620 1.00 0.00 H new ATOM 0 H6 DT A 7 0.137 3.462 11.020 1.00 0.00 H new ATOM 207 P DT A 8 -3.246 4.197 15.700 1.00 0.00 P ATOM 208 OP1 DT A 8 -4.042 4.329 14.468 1.00 0.00 O ATOM 209 OP2 DT A 8 -3.822 4.742 16.950 1.00 0.00 O ATOM 210 O5' DT A 8 -3.014 2.644 15.997 1.00 0.00 O ATOM 211 C5' DT A 8 -3.866 1.622 15.500 1.00 0.00 C ATOM 212 C4' DT A 8 -3.821 0.439 16.473 1.00 0.00 C ATOM 213 O4' DT A 8 -2.551 -0.188 16.389 1.00 0.00 O ATOM 214 C3' DT A 8 -4.033 0.904 17.927 1.00 0.00 C ATOM 215 O3' DT A 8 -5.064 0.203 18.595 1.00 0.00 O ATOM 216 C2' DT A 8 -2.692 0.673 18.601 1.00 0.00 C ATOM 217 C1' DT A 8 -1.988 -0.317 17.679 1.00 0.00 C ATOM 218 N1 DT A 8 -0.523 -0.062 17.612 1.00 0.00 N ATOM 219 C2 DT A 8 0.333 -0.983 18.223 1.00 0.00 C ATOM 220 O2 DT A 8 -0.055 -2.020 18.769 1.00 0.00 O ATOM 221 N3 DT A 8 1.681 -0.688 18.197 1.00 0.00 N ATOM 222 C4 DT A 8 2.257 0.404 17.583 1.00 0.00 C ATOM 223 O4 DT A 8 3.480 0.506 17.596 1.00 0.00 O ATOM 224 C5 DT A 8 1.309 1.333 16.976 1.00 0.00 C ATOM 225 C7 DT A 8 1.819 2.598 16.311 1.00 0.00 C ATOM 226 C6 DT A 8 -0.030 1.082 17.012 1.00 0.00 C ATOM 0 H5' DT A 8 -3.543 1.309 14.507 1.00 0.00 H new ATOM 0 H5'' DT A 8 -4.886 1.993 15.401 1.00 0.00 H new ATOM 0 H4' DT A 8 -4.618 -0.253 16.200 1.00 0.00 H new ATOM 0 H3' DT A 8 -4.353 1.946 17.957 1.00 0.00 H new ATOM 0 H2' DT A 8 -2.128 1.601 18.698 1.00 0.00 H new ATOM 0 H2'' DT A 8 -2.814 0.268 19.605 1.00 0.00 H new ATOM 0 H1' DT A 8 -2.125 -1.325 18.070 1.00 0.00 H new ATOM 0 H3 DT A 8 2.307 -1.336 18.675 1.00 0.00 H new ATOM 0 H71 DT A 8 2.736 2.923 16.802 1.00 0.00 H new ATOM 0 H72 DT A 8 2.021 2.400 15.258 1.00 0.00 H new ATOM 0 H73 DT A 8 1.066 3.382 16.394 1.00 0.00 H new ATOM 0 H6 DT A 8 -0.716 1.787 16.565 1.00 0.00 H new ATOM 239 P DG A 9 -6.616 0.576 18.344 1.00 0.00 P ATOM 240 OP1 DG A 9 -6.669 1.985 17.871 1.00 0.00 O ATOM 241 OP2 DG A 9 -7.392 0.163 19.528 1.00 0.00 O ATOM 242 O5' DG A 9 -7.012 -0.376 17.111 1.00 0.00 O ATOM 243 C5' DG A 9 -7.125 -1.777 17.279 1.00 0.00 C ATOM 244 C4' DG A 9 -7.594 -2.420 15.966 1.00 0.00 C ATOM 245 O4' DG A 9 -6.553 -2.416 15.004 1.00 0.00 O ATOM 246 C3' DG A 9 -8.027 -3.886 16.131 1.00 0.00 C ATOM 247 O3' DG A 9 -9.262 -4.150 15.481 1.00 0.00 O ATOM 248 C2' DG A 9 -6.915 -4.714 15.495 1.00 0.00 C ATOM 249 C1' DG A 9 -5.911 -3.677 14.968 1.00 0.00 C ATOM 250 N9 DG A 9 -4.590 -3.649 15.653 1.00 0.00 N ATOM 251 C8 DG A 9 -4.158 -4.307 16.787 1.00 0.00 C ATOM 252 N7 DG A 9 -2.873 -4.234 17.006 1.00 0.00 N ATOM 253 C5 DG A 9 -2.414 -3.476 15.927 1.00 0.00 C ATOM 254 C6 DG A 9 -1.082 -3.094 15.577 1.00 0.00 C ATOM 255 O6 DG A 9 -0.042 -3.391 16.164 1.00 0.00 O ATOM 256 N1 DG A 9 -1.014 -2.280 14.471 1.00 0.00 N ATOM 257 C2 DG A 9 -2.106 -1.888 13.760 1.00 0.00 C ATOM 258 N2 DG A 9 -1.891 -0.968 12.855 1.00 0.00 N ATOM 259 N3 DG A 9 -3.358 -2.285 14.011 1.00 0.00 N ATOM 260 C4 DG A 9 -3.454 -3.074 15.123 1.00 0.00 C ATOM 0 H5' DG A 9 -7.832 -2.001 18.078 1.00 0.00 H new ATOM 0 H5'' DG A 9 -6.164 -2.196 17.577 1.00 0.00 H new ATOM 0 H4' DG A 9 -8.447 -1.822 15.647 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.178 -4.127 17.183 1.00 0.00 H new ATOM 0 H2' DG A 9 -6.451 -5.380 16.223 1.00 0.00 H new ATOM 0 H2'' DG A 9 -7.298 -5.340 14.689 1.00 0.00 H new ATOM 0 HO3' DG A 9 -9.133 -4.121 14.510 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.642 -3.965 13.952 1.00 0.00 H new ATOM 0 H8 DG A 9 -4.831 -4.841 17.442 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.097 -1.953 14.168 1.00 0.00 H new ATOM 0 H21 DG A 9 -2.663 -0.625 12.283 1.00 0.00 H new ATOM 0 H22 DG A 9 -0.952 -0.594 12.721 1.00 0.00 H new TER 273 DG A 9 HETATM 274 NA NA A 101 8.580 -5.356 7.430 1.00 0.00 NA HETATM 275 NA NA A 102 9.331 4.654 13.003 1.00 0.00 NA HETATM 276 NA NA A 103 2.698 -8.150 5.370 1.00 0.00 NA HETATM 277 NA NA A 104 -5.883 3.940 17.219 1.00 0.00 NA HETATM 278 NA NA A 105 9.016 0.842 8.045 1.00 0.00 NA HETATM 279 NA NA A 106 -0.742 -4.156 18.255 1.00 0.00 NA HETATM 280 NA NA A 107 -8.807 -9.276 6.969 1.00 0.00 NA HETATM 281 NA NA A 108 3.239 8.409 11.024 1.00 0.00 NA