USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 135 hydrogens (0 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 Single : A 1 DG O5' : rot 180:sc= -0.0176 USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.866 -11.768 -0.818 1.00 74.31 O ATOM 2 C5' DG A 1 -1.797 -12.407 -0.124 1.00 3.43 C ATOM 3 C4' DG A 1 -1.179 -11.453 0.873 1.00 21.44 C ATOM 4 O4' DG A 1 -0.989 -10.118 0.405 1.00 72.33 O ATOM 5 C3' DG A 1 -2.060 -11.141 2.078 1.00 74.01 C ATOM 6 O3' DG A 1 -1.237 -10.827 3.199 1.00 62.22 O ATOM 7 C2' DG A 1 -2.899 -9.964 1.661 1.00 51.03 C ATOM 8 C1' DG A 1 -1.868 -9.134 0.902 1.00 55.45 C ATOM 9 N9 DG A 1 -2.450 -8.334 -0.196 1.00 54.05 N ATOM 10 C8 DG A 1 -3.667 -7.750 -0.229 1.00 3.45 C ATOM 11 N7 DG A 1 -3.891 -7.098 -1.365 1.00 2.32 N ATOM 12 C5 DG A 1 -2.742 -7.287 -2.085 1.00 33.51 C ATOM 13 C6 DG A 1 -2.360 -6.845 -3.371 1.00 10.44 C ATOM 14 O6 DG A 1 -3.052 -6.160 -4.122 1.00 31.41 O ATOM 15 N1 DG A 1 -1.127 -7.205 -3.815 1.00 2.10 N ATOM 16 C2 DG A 1 -0.344 -7.958 -3.009 1.00 12.10 C ATOM 17 N2 DG A 1 0.826 -8.226 -3.583 1.00 2.24 N ATOM 18 N3 DG A 1 -0.603 -8.431 -1.775 1.00 13.55 N ATOM 19 C4 DG A 1 -1.848 -8.039 -1.391 1.00 72.02 C ATOM 0 H5' DG A 1 -1.041 -12.742 -0.834 1.00 3.43 H new ATOM 0 H5'' DG A 1 -2.166 -13.294 0.391 1.00 3.43 H new ATOM 0 H4' DG A 1 -0.261 -12.001 1.085 1.00 21.44 H new ATOM 0 H3' DG A 1 -2.689 -11.981 2.374 1.00 74.01 H new ATOM 0 H2' DG A 1 -3.739 -10.257 1.031 1.00 51.03 H new ATOM 0 H2'' DG A 1 -3.313 -9.428 2.515 1.00 51.03 H new ATOM 0 HO5' DG A 1 -3.258 -12.394 -1.462 1.00 74.31 H new ATOM 0 H1' DG A 1 -1.393 -8.388 1.539 1.00 55.45 H new ATOM 0 H8 DG A 1 -4.381 -7.807 0.580 1.00 3.45 H new ATOM 0 H1 DG A 1 -0.799 -6.914 -4.736 1.00 2.10 H new ATOM 0 H21 DG A 1 1.520 -8.787 -3.089 1.00 2.24 H new ATOM 0 H22 DG A 1 1.029 -7.870 -4.517 1.00 2.24 H new ATOM 32 P DG A 2 -1.840 -10.891 4.679 1.00 14.20 P ATOM 33 OP1 DG A 2 -1.854 -12.294 5.149 1.00 3.42 O ATOM 34 OP2 DG A 2 -3.116 -10.143 4.730 1.00 10.41 O ATOM 35 O5' DG A 2 -0.762 -10.090 5.544 1.00 70.45 O ATOM 36 C5' DG A 2 0.630 -10.258 5.284 1.00 55.50 C ATOM 37 C4' DG A 2 1.176 -9.046 4.565 1.00 64.22 C ATOM 38 O4' DG A 2 0.273 -8.550 3.637 1.00 22.51 O ATOM 39 C3' DG A 2 1.485 -7.859 5.474 1.00 63.21 C ATOM 40 O3' DG A 2 2.897 -7.727 5.619 1.00 61.13 O ATOM 41 C2' DG A 2 0.886 -6.665 4.785 1.00 65.40 C ATOM 42 C1' DG A 2 0.675 -7.222 3.381 1.00 11.53 C ATOM 43 N9 DG A 2 -0.351 -6.495 2.605 1.00 34.04 N ATOM 44 C8 DG A 2 -1.575 -6.112 3.023 1.00 40.42 C ATOM 45 N7 DG A 2 -2.262 -5.472 2.082 1.00 33.11 N ATOM 46 C5 DG A 2 -1.412 -5.456 1.009 1.00 65.11 C ATOM 47 C6 DG A 2 -1.556 -4.923 -0.289 1.00 22.23 C ATOM 48 O6 DG A 2 -2.551 -4.336 -0.713 1.00 64.04 O ATOM 49 N1 DG A 2 -0.508 -5.070 -1.147 1.00 52.10 N ATOM 50 C2 DG A 2 0.599 -5.711 -0.709 1.00 55.41 C ATOM 51 N2 DG A 2 1.529 -5.774 -1.657 1.00 52.20 N ATOM 52 N3 DG A 2 0.843 -6.254 0.499 1.00 42.44 N ATOM 53 C4 DG A 2 -0.240 -6.074 1.306 1.00 63.03 C ATOM 0 H5' DG A 2 0.789 -11.151 4.680 1.00 55.50 H new ATOM 0 H5'' DG A 2 1.167 -10.407 6.221 1.00 55.50 H new ATOM 0 H4' DG A 2 2.092 -9.423 4.110 1.00 64.22 H new ATOM 0 H3' DG A 2 1.075 -7.974 6.477 1.00 63.21 H new ATOM 0 H2' DG A 2 -0.048 -6.346 5.248 1.00 65.40 H new ATOM 0 H2'' DG A 2 1.555 -5.805 4.792 1.00 65.40 H new ATOM 0 H1' DG A 2 1.571 -7.133 2.766 1.00 11.53 H new ATOM 0 H8 DG A 2 -1.956 -6.305 4.015 1.00 40.42 H new ATOM 0 H1 DG A 2 -0.557 -4.705 -2.098 1.00 52.10 H new ATOM 0 H21 DG A 2 2.421 -6.231 -1.467 1.00 52.20 H new ATOM 0 H22 DG A 2 1.351 -5.365 -2.574 1.00 52.20 H new ATOM 65 P DC A 3 3.500 -6.796 6.772 1.00 71.21 P ATOM 66 OP1 DC A 3 3.411 -7.493 8.073 1.00 22.13 O ATOM 67 OP2 DC A 3 2.907 -5.443 6.680 1.00 14.20 O ATOM 68 O5' DC A 3 5.044 -6.685 6.374 1.00 3.45 O ATOM 69 C5' DC A 3 5.433 -6.735 5.003 1.00 24.43 C ATOM 70 C4' DC A 3 5.276 -5.371 4.368 1.00 34.00 C ATOM 71 O4' DC A 3 3.945 -5.096 3.983 1.00 20.34 O ATOM 72 C3' DC A 3 5.664 -4.206 5.274 1.00 71.12 C ATOM 73 O3' DC A 3 6.894 -3.642 4.822 1.00 4.52 O ATOM 74 C2' DC A 3 4.533 -3.223 5.162 1.00 30.13 C ATOM 75 C1' DC A 3 3.874 -3.693 3.868 1.00 64.34 C ATOM 76 N1 DC A 3 2.476 -3.238 3.719 1.00 4.30 N ATOM 77 C2 DC A 3 2.068 -2.794 2.463 1.00 24.35 C ATOM 78 O2 DC A 3 2.890 -2.800 1.539 1.00 12.04 O ATOM 79 N3 DC A 3 0.800 -2.375 2.302 1.00 45.21 N ATOM 80 C4 DC A 3 -0.061 -2.376 3.299 1.00 72.03 C ATOM 81 N4 DC A 3 -1.308 -1.958 3.121 1.00 11.04 N ATOM 82 C5 DC A 3 0.334 -2.831 4.611 1.00 44.12 C ATOM 83 C6 DC A 3 1.603 -3.244 4.756 1.00 11.43 C ATOM 0 H5' DC A 3 4.823 -7.465 4.470 1.00 24.43 H new ATOM 0 H5'' DC A 3 6.469 -7.065 4.923 1.00 24.43 H new ATOM 0 H4' DC A 3 5.950 -5.436 3.514 1.00 34.00 H new ATOM 0 H3' DC A 3 5.816 -4.507 6.310 1.00 71.12 H new ATOM 0 H2' DC A 3 3.855 -3.274 6.014 1.00 30.13 H new ATOM 0 H2'' DC A 3 4.885 -2.193 5.096 1.00 30.13 H new ATOM 0 H1' DC A 3 4.368 -3.288 2.985 1.00 64.34 H new ATOM 0 H41 DC A 3 -1.964 -1.964 3.902 1.00 11.04 H new ATOM 0 H42 DC A 3 -1.610 -1.631 2.203 1.00 11.04 H new ATOM 0 H5 DC A 3 -0.360 -2.839 5.438 1.00 44.12 H new ATOM 0 H6 DC A 3 1.937 -3.590 5.723 1.00 11.43 H new ATOM 95 P DC A 4 7.878 -2.930 5.862 1.00 72.12 P ATOM 96 OP1 DC A 4 9.082 -3.766 6.062 1.00 41.15 O ATOM 97 OP2 DC A 4 7.119 -2.526 7.069 1.00 33.14 O ATOM 98 O5' DC A 4 8.320 -1.603 5.088 1.00 34.45 O ATOM 99 C5' DC A 4 8.529 -1.636 3.678 1.00 42.11 C ATOM 100 C4' DC A 4 7.782 -0.500 3.014 1.00 42.12 C ATOM 101 O4' DC A 4 6.372 -0.661 3.164 1.00 2.42 O ATOM 102 C3' DC A 4 8.080 0.878 3.599 1.00 43.22 C ATOM 103 O3' DC A 4 8.534 1.745 2.564 1.00 34.04 O ATOM 104 C2' DC A 4 6.778 1.350 4.185 1.00 75.30 C ATOM 105 C1' DC A 4 5.782 0.613 3.293 1.00 43.41 C ATOM 106 N1 DC A 4 4.429 0.516 3.877 1.00 43.45 N ATOM 107 C2 DC A 4 3.340 0.693 3.023 1.00 32.23 C ATOM 108 O2 DC A 4 3.558 0.918 1.828 1.00 14.33 O ATOM 109 N3 DC A 4 2.098 0.609 3.531 1.00 53.32 N ATOM 110 C4 DC A 4 1.884 0.367 4.809 1.00 50.12 C ATOM 111 N4 DC A 4 0.650 0.289 5.291 1.00 61.01 N ATOM 112 C5 DC A 4 2.994 0.181 5.716 1.00 31.12 C ATOM 113 C6 DC A 4 4.227 0.267 5.194 1.00 52.25 C ATOM 0 H5' DC A 4 8.189 -2.590 3.275 1.00 42.11 H new ATOM 0 H5'' DC A 4 9.594 -1.558 3.459 1.00 42.11 H new ATOM 0 H4' DC A 4 8.116 -0.544 1.977 1.00 42.12 H new ATOM 0 H3' DC A 4 8.862 0.857 4.358 1.00 43.22 H new ATOM 0 H2' DC A 4 6.674 1.077 5.235 1.00 75.30 H new ATOM 0 H2'' DC A 4 6.665 2.432 4.124 1.00 75.30 H new ATOM 0 H1' DC A 4 5.617 1.131 2.348 1.00 43.41 H new ATOM 0 H41 DC A 4 0.501 0.101 6.282 1.00 61.01 H new ATOM 0 H42 DC A 4 -0.149 0.417 4.670 1.00 61.01 H new ATOM 0 H5 DC A 4 2.838 -0.018 6.766 1.00 31.12 H new ATOM 0 H6 DC A 4 5.082 0.134 5.841 1.00 52.25 H new ATOM 125 P DG A 5 9.376 3.054 2.927 1.00 41.05 P ATOM 126 OP1 DG A 5 10.806 2.704 3.070 1.00 63.11 O ATOM 127 OP2 DG A 5 8.731 3.765 4.056 1.00 73.42 O ATOM 128 O5' DG A 5 9.217 3.961 1.618 1.00 10.32 O ATOM 129 C5' DG A 5 8.021 3.895 0.847 1.00 0.52 C ATOM 130 C4' DG A 5 6.943 4.741 1.486 1.00 11.42 C ATOM 131 O4' DG A 5 6.521 4.135 2.616 1.00 21.34 O ATOM 132 C3' DG A 5 7.448 6.038 2.113 1.00 72.12 C ATOM 133 O3' DG A 5 7.456 7.068 1.127 1.00 20.44 O ATOM 134 C2' DG A 5 6.483 6.344 3.223 1.00 41.41 C ATOM 135 C1' DG A 5 5.663 5.057 3.251 1.00 32.43 C ATOM 136 N9 DG A 5 5.316 4.609 4.616 1.00 33.50 N ATOM 137 C8 DG A 5 6.152 4.442 5.662 1.00 1.45 C ATOM 138 N7 DG A 5 5.524 4.027 6.757 1.00 41.12 N ATOM 139 C5 DG A 5 4.215 3.930 6.371 1.00 31.23 C ATOM 140 C6 DG A 5 3.058 3.544 7.078 1.00 34.31 C ATOM 141 O6 DG A 5 3.025 3.199 8.258 1.00 64.24 O ATOM 142 N1 DG A 5 1.877 3.550 6.401 1.00 61.55 N ATOM 143 C2 DG A 5 1.882 3.925 5.102 1.00 31.23 C ATOM 144 N2 DG A 5 0.657 3.881 4.582 1.00 11.44 N ATOM 145 N3 DG A 5 2.917 4.310 4.333 1.00 20.31 N ATOM 146 C4 DG A 5 4.063 4.281 5.067 1.00 42.31 C ATOM 0 H5' DG A 5 7.685 2.861 0.771 1.00 0.52 H new ATOM 0 H5'' DG A 5 8.214 4.243 -0.168 1.00 0.52 H new ATOM 0 H4' DG A 5 6.228 4.896 0.679 1.00 11.42 H new ATOM 0 H3' DG A 5 8.466 5.958 2.495 1.00 72.12 H new ATOM 0 H2' DG A 5 6.989 6.533 4.170 1.00 41.41 H new ATOM 0 H2'' DG A 5 5.871 7.220 3.009 1.00 41.41 H new ATOM 0 H1' DG A 5 4.694 5.178 2.767 1.00 32.43 H new ATOM 0 H8 DG A 5 7.215 4.626 5.614 1.00 1.45 H new ATOM 0 H1 DG A 5 1.009 3.278 6.863 1.00 61.55 H new ATOM 0 H21 DG A 5 0.508 4.138 3.606 1.00 11.44 H new ATOM 0 H22 DG A 5 -0.132 3.590 5.159 1.00 11.44 H new ATOM 158 P DC A 6 7.779 8.578 1.549 1.00 24.34 P ATOM 159 OP1 DC A 6 8.545 9.243 0.472 1.00 51.30 O ATOM 160 OP2 DC A 6 8.358 8.600 2.912 1.00 2.13 O ATOM 161 O5' DC A 6 6.330 9.251 1.615 1.00 2.40 O ATOM 162 C5' DC A 6 5.241 8.672 0.902 1.00 12.51 C ATOM 163 C4' DC A 6 3.956 9.395 1.236 1.00 41.01 C ATOM 164 O4' DC A 6 3.152 8.815 2.254 1.00 51.45 O ATOM 165 C3' DC A 6 4.152 10.816 1.759 1.00 15.33 C ATOM 166 O3' DC A 6 3.195 11.682 1.149 1.00 5.24 O ATOM 167 C2' DC A 6 3.943 10.722 3.245 1.00 72.43 C ATOM 168 C1' DC A 6 2.823 9.689 3.312 1.00 1.23 C ATOM 169 N1 DC A 6 2.763 8.969 4.601 1.00 15.01 N ATOM 170 C2 DC A 6 1.784 9.356 5.514 1.00 25.12 C ATOM 171 O2 DC A 6 1.019 10.276 5.206 1.00 54.42 O ATOM 172 N3 DC A 6 1.708 8.715 6.695 1.00 22.14 N ATOM 173 C4 DC A 6 2.532 7.736 7.006 1.00 21.34 C ATOM 174 N4 DC A 6 2.442 7.117 8.175 1.00 43.43 N ATOM 175 C5 DC A 6 3.556 7.315 6.078 1.00 4.01 C ATOM 176 C6 DC A 6 3.619 7.963 4.905 1.00 44.41 C ATOM 0 H5' DC A 6 5.150 7.616 1.157 1.00 12.51 H new ATOM 0 H5'' DC A 6 5.429 8.726 -0.170 1.00 12.51 H new ATOM 0 H4' DC A 6 3.475 9.343 0.259 1.00 41.01 H new ATOM 0 H3' DC A 6 5.137 11.222 1.529 1.00 15.33 H new ATOM 0 H2' DC A 6 4.841 10.393 3.768 1.00 72.43 H new ATOM 0 H2'' DC A 6 3.651 11.677 3.682 1.00 72.43 H new ATOM 0 H1' DC A 6 1.837 10.146 3.228 1.00 1.23 H new ATOM 0 H41 DC A 6 3.087 6.360 8.402 1.00 43.43 H new ATOM 0 H42 DC A 6 1.728 7.398 8.847 1.00 43.43 H new ATOM 0 H5 DC A 6 4.240 6.514 6.318 1.00 4.01 H new ATOM 0 H6 DC A 6 4.371 7.676 4.185 1.00 44.41 H new ATOM 188 P DA A 7 3.349 12.083 -0.393 1.00 0.53 P ATOM 189 OP1 DA A 7 4.423 11.278 -1.013 1.00 52.14 O ATOM 190 OP2 DA A 7 3.440 13.555 -0.515 1.00 22.45 O ATOM 191 O5' DA A 7 1.955 11.621 -1.026 1.00 15.25 O ATOM 192 C5' DA A 7 0.744 11.799 -0.293 1.00 42.33 C ATOM 193 C4' DA A 7 -0.139 10.580 -0.444 1.00 13.02 C ATOM 194 O4' DA A 7 0.572 9.348 -0.297 1.00 51.21 O ATOM 195 C3' DA A 7 -1.272 10.493 0.575 1.00 64.22 C ATOM 196 O3' DA A 7 -2.519 10.400 -0.109 1.00 14.33 O ATOM 197 C2' DA A 7 -0.989 9.254 1.378 1.00 24.14 C ATOM 198 C1' DA A 7 -0.258 8.405 0.341 1.00 75.34 C ATOM 199 N9 DA A 7 0.535 7.306 0.931 1.00 4.14 N ATOM 200 C8 DA A 7 0.677 7.010 2.240 1.00 23.11 C ATOM 201 N7 DA A 7 1.462 5.958 2.445 1.00 0.00 N ATOM 202 C5 DA A 7 1.831 5.573 1.184 1.00 43.51 C ATOM 203 C6 DA A 7 2.656 4.520 0.732 1.00 45.22 C ATOM 204 N6 DA A 7 3.281 3.628 1.544 1.00 54.22 N ATOM 205 N1 DA A 7 2.833 4.397 -0.611 1.00 65.12 N ATOM 206 C2 DA A 7 2.216 5.281 -1.428 1.00 65.45 C ATOM 207 N3 DA A 7 1.414 6.313 -1.109 1.00 63.24 N ATOM 208 C4 DA A 7 1.277 6.382 0.244 1.00 40.05 C ATOM 0 H5' DA A 7 0.219 12.684 -0.652 1.00 42.33 H new ATOM 0 H5'' DA A 7 0.969 11.967 0.760 1.00 42.33 H new ATOM 0 H4' DA A 7 -0.531 10.711 -1.453 1.00 13.02 H new ATOM 0 H3' DA A 7 -1.331 11.369 1.221 1.00 64.22 H new ATOM 0 H2' DA A 7 -0.372 9.460 2.253 1.00 24.14 H new ATOM 0 H2'' DA A 7 -1.901 8.776 1.736 1.00 24.14 H new ATOM 0 H1' DA A 7 -0.949 7.890 -0.327 1.00 75.34 H new ATOM 0 H8 DA A 7 0.204 7.568 3.035 1.00 23.11 H new ATOM 0 H61 DA A 7 3.862 2.893 1.142 1.00 54.22 H new ATOM 0 H62 DA A 7 3.169 3.694 2.556 1.00 54.22 H new ATOM 0 H2 DA A 7 2.392 5.138 -2.484 1.00 65.45 H new ATOM 220 P DG A 8 -3.890 10.546 0.702 1.00 32.50 P ATOM 221 OP1 DG A 8 -4.555 11.816 0.333 1.00 10.31 O ATOM 222 OP2 DG A 8 -3.647 10.298 2.141 1.00 65.12 O ATOM 223 O5' DG A 8 -4.775 9.341 0.134 1.00 4.21 O ATOM 224 C5' DG A 8 -4.456 7.996 0.483 1.00 63.14 C ATOM 225 C4' DG A 8 -4.064 7.219 -0.751 1.00 21.40 C ATOM 226 O4' DG A 8 -2.905 6.583 -0.435 1.00 44.11 O ATOM 227 C3' DG A 8 -4.965 6.026 -1.059 1.00 0.10 C ATOM 228 O3' DG A 8 -5.930 6.402 -2.039 1.00 20.24 O ATOM 229 C2' DG A 8 -4.044 4.954 -1.575 1.00 75.43 C ATOM 230 C1' DG A 8 -2.809 5.204 -0.714 1.00 64.15 C ATOM 231 N9 DG A 8 -2.788 4.407 0.531 1.00 61.40 N ATOM 232 C8 DG A 8 -3.713 4.396 1.513 1.00 62.43 C ATOM 233 N7 DG A 8 -3.399 3.567 2.504 1.00 72.35 N ATOM 234 C5 DG A 8 -2.204 3.028 2.114 1.00 44.44 C ATOM 235 C6 DG A 8 -1.358 2.082 2.735 1.00 53.25 C ATOM 236 O6 DG A 8 -1.570 1.540 3.817 1.00 51.32 O ATOM 237 N1 DG A 8 -0.214 1.743 2.081 1.00 12.25 N ATOM 238 C2 DG A 8 0.044 2.322 0.887 1.00 65.23 C ATOM 239 N2 DG A 8 1.195 1.887 0.378 1.00 72.51 N ATOM 240 N3 DG A 8 -0.683 3.228 0.209 1.00 40.40 N ATOM 241 C4 DG A 8 -1.811 3.526 0.912 1.00 41.30 C ATOM 0 H5' DG A 8 -5.313 7.523 0.963 1.00 63.14 H new ATOM 0 H5'' DG A 8 -3.639 7.983 1.205 1.00 63.14 H new ATOM 0 H4' DG A 8 -4.067 7.933 -1.575 1.00 21.40 H new ATOM 0 H3' DG A 8 -5.518 5.676 -0.187 1.00 0.10 H new ATOM 0 H2' DG A 8 -4.452 3.954 -1.432 1.00 75.43 H new ATOM 0 H2'' DG A 8 -3.836 5.064 -2.639 1.00 75.43 H new ATOM 0 H1' DG A 8 -1.890 4.911 -1.221 1.00 64.15 H new ATOM 0 H8 DG A 8 -4.611 4.996 1.496 1.00 62.43 H new ATOM 0 H1 DG A 8 0.435 1.067 2.483 1.00 12.25 H new ATOM 0 H21 DG A 8 1.520 2.239 -0.523 1.00 72.51 H new ATOM 0 H22 DG A 8 1.752 1.202 0.889 1.00 72.51 H new ATOM 253 P DT A 9 -7.445 5.906 -1.901 1.00 20.53 P ATOM 254 OP1 DT A 9 -8.215 6.323 -3.094 1.00 74.34 O ATOM 255 OP2 DT A 9 -7.977 6.294 -0.576 1.00 2.40 O ATOM 256 O5' DT A 9 -7.307 4.314 -1.933 1.00 2.30 O ATOM 257 C5' DT A 9 -7.429 3.612 -3.168 1.00 3.52 C ATOM 258 C4' DT A 9 -6.150 2.860 -3.468 1.00 61.13 C ATOM 259 O4' DT A 9 -5.620 2.230 -2.318 1.00 20.24 O ATOM 260 C3' DT A 9 -6.338 1.620 -4.338 1.00 63.10 C ATOM 261 O3' DT A 9 -5.120 1.334 -5.023 1.00 52.15 O ATOM 262 C2' DT A 9 -6.707 0.520 -3.384 1.00 11.45 C ATOM 263 C1' DT A 9 -5.781 0.834 -2.212 1.00 24.24 C ATOM 264 N1 DT A 9 -6.343 0.461 -0.899 1.00 50.40 N ATOM 265 C2 DT A 9 -5.513 -0.212 -0.054 1.00 12.35 C ATOM 266 O2 DT A 9 -4.362 -0.508 -0.333 1.00 4.03 O ATOM 267 N3 DT A 9 -6.035 -0.561 1.170 1.00 60.33 N ATOM 268 C4 DT A 9 -7.318 -0.267 1.560 1.00 23.44 C ATOM 269 O4 DT A 9 -7.677 -0.629 2.680 1.00 12.11 O ATOM 270 C5 DT A 9 -8.142 0.436 0.642 1.00 32.21 C ATOM 271 C7 DT A 9 -9.562 0.786 1.018 1.00 40.31 C ATOM 272 C6 DT A 9 -7.616 0.764 -0.539 1.00 52.24 C ATOM 0 H5' DT A 9 -7.645 4.313 -3.974 1.00 3.52 H new ATOM 0 H5'' DT A 9 -8.266 2.916 -3.118 1.00 3.52 H new ATOM 0 H4' DT A 9 -5.540 3.642 -3.921 1.00 61.13 H new ATOM 0 H3' DT A 9 -7.107 1.747 -5.100 1.00 63.10 H new ATOM 0 H2' DT A 9 -7.759 0.555 -3.100 1.00 11.45 H new ATOM 0 H2'' DT A 9 -6.522 -0.469 -3.803 1.00 11.45 H new ATOM 0 H1' DT A 9 -4.851 0.267 -2.261 1.00 24.24 H new ATOM 0 H3 DT A 9 -5.436 -1.066 1.823 1.00 60.33 H new ATOM 0 H71 DT A 9 -9.856 1.706 0.513 1.00 40.31 H new ATOM 0 H72 DT A 9 -10.228 -0.022 0.716 1.00 40.31 H new ATOM 0 H73 DT A 9 -9.629 0.927 2.097 1.00 40.31 H new ATOM 0 H6 DT A 9 -8.235 1.298 -1.245 1.00 52.24 H new ATOM 285 P DG A 10 -4.727 2.164 -6.333 1.00 65.11 P ATOM 286 OP1 DG A 10 -5.349 3.505 -6.280 1.00 1.44 O ATOM 287 OP2 DG A 10 -4.976 1.341 -7.537 1.00 45.42 O ATOM 288 O5' DG A 10 -3.143 2.346 -6.180 1.00 50.13 O ATOM 289 C5' DG A 10 -2.622 3.472 -5.475 1.00 62.00 C ATOM 290 C4' DG A 10 -1.120 3.542 -5.647 1.00 14.42 C ATOM 291 O4' DG A 10 -0.390 3.062 -4.572 1.00 54.44 O ATOM 292 C3' DG A 10 -0.558 2.559 -6.670 1.00 15.44 C ATOM 293 O3' DG A 10 0.734 2.997 -7.087 1.00 25.24 O ATOM 294 C2' DG A 10 -0.488 1.238 -5.956 1.00 52.04 C ATOM 295 C1' DG A 10 -0.059 1.691 -4.562 1.00 73.33 C ATOM 296 N9 DG A 10 -0.756 0.981 -3.470 1.00 70.01 N ATOM 297 C8 DG A 10 -2.087 0.912 -3.256 1.00 33.10 C ATOM 298 N7 DG A 10 -2.397 0.190 -2.183 1.00 34.53 N ATOM 299 C5 DG A 10 -1.182 -0.214 -1.697 1.00 14.24 C ATOM 300 C6 DG A 10 -0.838 -1.003 -0.580 1.00 42.43 C ATOM 301 O6 DG A 10 -1.636 -1.502 0.212 1.00 62.03 O ATOM 302 N1 DG A 10 0.485 -1.233 -0.358 1.00 50.12 N ATOM 303 C2 DG A 10 1.384 -0.697 -1.212 1.00 11.12 C ATOM 304 N2 DG A 10 2.630 -1.010 -0.863 1.00 52.20 N ATOM 305 N3 DG A 10 1.172 0.064 -2.302 1.00 15.11 N ATOM 306 C4 DG A 10 -0.167 0.258 -2.468 1.00 63.12 C ATOM 0 H5' DG A 10 -2.872 3.396 -4.417 1.00 62.00 H new ATOM 0 H5'' DG A 10 -3.082 4.388 -5.846 1.00 62.00 H new ATOM 0 H4' DG A 10 -1.020 4.604 -5.872 1.00 14.42 H new ATOM 0 H3' DG A 10 -1.172 2.483 -7.567 1.00 15.44 H new ATOM 0 H2' DG A 10 -1.448 0.722 -5.946 1.00 52.04 H new ATOM 0 H2'' DG A 10 0.234 0.560 -6.411 1.00 52.04 H new ATOM 0 H1' DG A 10 0.994 1.483 -4.369 1.00 73.33 H new ATOM 0 H8 DG A 10 -2.821 1.391 -3.888 1.00 33.10 H new ATOM 0 H1 DG A 10 0.791 -1.797 0.435 1.00 50.12 H new ATOM 0 H21 DG A 10 3.415 -0.673 -1.419 1.00 52.20 H new ATOM 0 H22 DG A 10 2.799 -1.587 -0.039 1.00 52.20 H new ATOM 318 P DC A 11 1.289 2.589 -8.532 1.00 14.05 P ATOM 319 OP1 DC A 11 2.426 3.464 -8.895 1.00 1.10 O ATOM 320 OP2 DC A 11 0.166 2.495 -9.490 1.00 54.33 O ATOM 321 O5' DC A 11 1.858 1.113 -8.293 1.00 23.50 O ATOM 322 C5' DC A 11 2.738 0.856 -7.202 1.00 43.14 C ATOM 323 C4' DC A 11 2.712 -0.615 -6.848 1.00 4.45 C ATOM 324 O4' DC A 11 1.749 -0.958 -5.857 1.00 42.54 O ATOM 325 C3' DC A 11 2.411 -1.539 -8.023 1.00 4.34 C ATOM 326 O3' DC A 11 3.528 -2.396 -8.250 1.00 11.42 O ATOM 327 C2' DC A 11 1.192 -2.319 -7.612 1.00 2.34 C ATOM 328 C1' DC A 11 1.331 -2.284 -6.093 1.00 12.00 C ATOM 329 N1 DC A 11 0.073 -2.585 -5.380 1.00 45.02 N ATOM 330 C2 DC A 11 0.113 -3.553 -4.377 1.00 24.02 C ATOM 331 O2 DC A 11 1.189 -4.110 -4.134 1.00 24.44 O ATOM 332 N3 DC A 11 -1.019 -3.845 -3.713 1.00 75.42 N ATOM 333 C4 DC A 11 -2.159 -3.240 -3.984 1.00 65.21 C ATOM 334 N4 DC A 11 -3.266 -3.542 -3.318 1.00 63.02 N ATOM 335 C5 DC A 11 -2.227 -2.233 -5.017 1.00 72.43 C ATOM 336 C6 DC A 11 -1.089 -1.954 -5.671 1.00 51.12 C ATOM 0 H5' DC A 11 2.442 1.451 -6.338 1.00 43.14 H new ATOM 0 H5'' DC A 11 3.752 1.157 -7.464 1.00 43.14 H new ATOM 0 H4' DC A 11 3.728 -0.763 -6.482 1.00 4.45 H new ATOM 0 H3' DC A 11 2.232 -0.999 -8.953 1.00 4.34 H new ATOM 0 H2' DC A 11 0.268 -1.852 -7.954 1.00 2.34 H new ATOM 0 H2'' DC A 11 1.200 -3.336 -8.005 1.00 2.34 H new ATOM 0 H1' DC A 11 2.020 -3.044 -5.725 1.00 12.00 H new ATOM 0 H41 DC A 11 -4.140 -3.065 -3.539 1.00 63.02 H new ATOM 0 H42 DC A 11 -3.243 -4.251 -2.585 1.00 63.02 H new ATOM 0 H5 DC A 11 -3.152 -1.727 -5.252 1.00 72.43 H new ATOM 0 H6 DC A 11 -1.100 -1.206 -6.450 1.00 51.12 H new ATOM 348 P DC A 12 4.078 -2.616 -9.738 1.00 20.34 P ATOM 349 OP1 DC A 12 5.431 -2.027 -9.862 1.00 15.12 O ATOM 350 OP2 DC A 12 3.054 -2.186 -10.716 1.00 33.34 O ATOM 351 O5' DC A 12 4.220 -4.206 -9.838 1.00 1.33 O ATOM 352 C5' DC A 12 5.279 -4.872 -9.152 1.00 55.54 C ATOM 353 C4' DC A 12 4.861 -6.282 -8.801 1.00 22.25 C ATOM 354 O4' DC A 12 3.691 -6.229 -8.013 1.00 43.14 O ATOM 355 C3' DC A 12 4.462 -7.139 -9.999 1.00 22.22 C ATOM 356 O3' DC A 12 5.084 -8.429 -9.888 1.00 13.31 O ATOM 357 C2' DC A 12 2.965 -7.239 -9.936 1.00 51.40 C ATOM 358 C1' DC A 12 2.740 -7.182 -8.427 1.00 23.02 C ATOM 359 N1 DC A 12 1.373 -6.771 -8.049 1.00 14.11 N ATOM 360 C2 DC A 12 0.757 -7.451 -6.999 1.00 15.15 C ATOM 361 O2 DC A 12 1.381 -8.359 -6.437 1.00 54.41 O ATOM 362 N3 DC A 12 -0.489 -7.094 -6.638 1.00 44.43 N ATOM 363 C4 DC A 12 -1.138 -6.124 -7.249 1.00 3.44 C ATOM 364 N4 DC A 12 -2.366 -5.786 -6.877 1.00 71.00 N ATOM 365 C5 DC A 12 -0.524 -5.404 -8.340 1.00 32.12 C ATOM 366 C6 DC A 12 0.718 -5.770 -8.689 1.00 44.12 C ATOM 0 H5' DC A 12 5.538 -4.324 -8.246 1.00 55.54 H new ATOM 0 H5'' DC A 12 6.172 -4.893 -9.777 1.00 55.54 H new ATOM 0 H4' DC A 12 5.731 -6.719 -8.310 1.00 22.25 H new ATOM 0 H3' DC A 12 4.780 -6.715 -10.951 1.00 22.22 H new ATOM 0 H2' DC A 12 2.473 -6.419 -10.459 1.00 51.40 H new ATOM 0 H2'' DC A 12 2.593 -8.165 -10.375 1.00 51.40 H new ATOM 0 HO3' DC A 12 4.828 -8.983 -10.655 1.00 13.31 H new ATOM 0 H1' DC A 12 2.850 -8.160 -7.959 1.00 23.02 H new ATOM 0 H41 DC A 12 -2.856 -5.033 -7.360 1.00 71.00 H new ATOM 0 H42 DC A 12 -2.820 -6.279 -6.108 1.00 71.00 H new ATOM 0 H5 DC A 12 -1.042 -4.606 -8.852 1.00 32.12 H new ATOM 0 H6 DC A 12 1.210 -5.254 -9.501 1.00 44.12 H new TER 379 DC A 12