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=-0.00463 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 -5.043 -9.793 2.545 1.00 10.14 O ATOM 2 C5' DG A 1 -5.095 -11.208 2.706 1.00 12.04 C ATOM 3 C4' DG A 1 -3.816 -11.836 2.200 1.00 13.12 C ATOM 4 O4' DG A 1 -3.836 -11.873 0.811 1.00 30.53 O ATOM 5 C3' DG A 1 -2.556 -11.027 2.496 1.00 33.11 C ATOM 6 O3' DG A 1 -1.484 -11.915 2.800 1.00 70.34 O ATOM 7 C2' DG A 1 -2.285 -10.243 1.242 1.00 65.23 C ATOM 8 C1' DG A 1 -2.748 -11.236 0.179 1.00 53.22 C ATOM 9 N9 DG A 1 -3.164 -10.595 -1.087 1.00 62.05 N ATOM 10 C8 DG A 1 -4.372 -10.674 -1.684 1.00 73.44 C ATOM 11 N7 DG A 1 -4.428 -9.978 -2.816 1.00 62.41 N ATOM 12 C5 DG A 1 -3.177 -9.435 -2.932 1.00 65.21 C ATOM 13 C6 DG A 1 -2.607 -8.599 -3.915 1.00 12.12 C ATOM 14 O6 DG A 1 -3.184 -8.182 -4.919 1.00 44.11 O ATOM 15 N1 DG A 1 -1.312 -8.219 -3.741 1.00 64.20 N ATOM 16 C2 DG A 1 -0.651 -8.661 -2.646 1.00 21.24 C ATOM 17 N2 DG A 1 0.600 -8.207 -2.619 1.00 70.54 N ATOM 18 N3 DG A 1 -1.091 -9.455 -1.653 1.00 64.14 N ATOM 19 C4 DG A 1 -2.389 -9.797 -1.885 1.00 0.33 C ATOM 0 H5' DG A 1 -5.948 -11.613 2.161 1.00 12.04 H new ATOM 0 H5'' DG A 1 -5.241 -11.457 3.757 1.00 12.04 H new ATOM 0 H4' DG A 1 -3.779 -12.805 2.697 1.00 13.12 H new ATOM 0 H3' DG A 1 -2.669 -10.363 3.353 1.00 33.11 H new ATOM 0 H2' DG A 1 -2.847 -9.310 1.208 1.00 65.23 H new ATOM 0 H2'' DG A 1 -1.231 -9.985 1.136 1.00 65.23 H new ATOM 0 HO5' DG A 1 -5.876 -9.396 2.874 1.00 10.14 H new ATOM 0 H1' DG A 1 -1.949 -11.910 -0.128 1.00 53.22 H new ATOM 0 H8 DG A 1 -5.201 -11.240 -1.286 1.00 73.44 H new ATOM 0 H1 DG A 1 -0.850 -7.615 -4.421 1.00 64.20 H new ATOM 0 H21 DG A 1 1.218 -8.461 -1.848 1.00 70.54 H new ATOM 0 H22 DG A 1 0.941 -7.606 -3.369 1.00 70.54 H new ATOM 32 P DG A 2 -0.313 -11.448 3.786 1.00 71.23 P ATOM 33 OP1 DG A 2 0.274 -12.628 4.459 1.00 13.12 O ATOM 34 OP2 DG A 2 -0.795 -10.343 4.644 1.00 73.14 O ATOM 35 O5' DG A 2 0.784 -10.852 2.784 1.00 21.44 O ATOM 36 C5' DG A 2 2.168 -11.115 3.005 1.00 53.31 C ATOM 37 C4' DG A 2 2.956 -9.825 2.952 1.00 24.41 C ATOM 38 O4' DG A 2 2.418 -8.943 2.029 1.00 45.43 O ATOM 39 C3' DG A 2 2.897 -8.998 4.232 1.00 43.50 C ATOM 40 O3' DG A 2 4.139 -8.321 4.418 1.00 21.25 O ATOM 41 C2' DG A 2 1.767 -8.029 4.026 1.00 73.24 C ATOM 42 C1' DG A 2 1.919 -7.727 2.537 1.00 50.42 C ATOM 43 N9 DG A 2 0.648 -7.356 1.878 1.00 24.50 N ATOM 44 C8 DG A 2 -0.599 -7.720 2.242 1.00 31.13 C ATOM 45 N7 DG A 2 -1.534 -7.219 1.440 1.00 73.53 N ATOM 46 C5 DG A 2 -0.823 -6.496 0.520 1.00 21.22 C ATOM 47 C6 DG A 2 -1.238 -5.729 -0.590 1.00 11.50 C ATOM 48 O6 DG A 2 -2.403 -5.567 -0.947 1.00 74.44 O ATOM 49 N1 DG A 2 -0.271 -5.118 -1.327 1.00 72.54 N ATOM 50 C2 DG A 2 1.020 -5.278 -0.957 1.00 63.02 C ATOM 51 N2 DG A 2 1.843 -4.622 -1.773 1.00 54.52 N ATOM 52 N3 DG A 2 1.526 -5.981 0.075 1.00 31.14 N ATOM 53 C4 DG A 2 0.510 -6.566 0.768 1.00 30.54 C ATOM 0 H5' DG A 2 2.540 -11.809 2.251 1.00 53.31 H new ATOM 0 H5'' DG A 2 2.305 -11.595 3.974 1.00 53.31 H new ATOM 0 H4' DG A 2 3.965 -10.172 2.730 1.00 24.41 H new ATOM 0 H3' DG A 2 2.732 -9.605 5.122 1.00 43.50 H new ATOM 0 H2' DG A 2 0.798 -8.468 4.262 1.00 73.24 H new ATOM 0 H2'' DG A 2 1.871 -7.136 4.642 1.00 73.24 H new ATOM 0 H1' DG A 2 2.562 -6.866 2.357 1.00 50.42 H new ATOM 0 H8 DG A 2 -0.815 -8.350 3.092 1.00 31.13 H new ATOM 0 H1 DG A 2 -0.514 -4.552 -2.140 1.00 72.54 H new ATOM 0 H21 DG A 2 2.850 -4.653 -1.614 1.00 54.52 H new ATOM 0 H22 DG A 2 1.466 -4.089 -2.556 1.00 54.52 H new ATOM 65 P DC A 3 4.613 -7.909 5.889 1.00 74.22 P ATOM 66 OP1 DC A 3 5.640 -8.860 6.367 1.00 75.43 O ATOM 67 OP2 DC A 3 3.430 -7.690 6.750 1.00 63.35 O ATOM 68 O5' DC A 3 5.321 -6.493 5.654 1.00 5.20 O ATOM 69 C5' DC A 3 6.064 -6.256 4.459 1.00 2.24 C ATOM 70 C4' DC A 3 5.637 -4.948 3.832 1.00 41.50 C ATOM 71 O4' DC A 3 4.379 -5.052 3.226 1.00 3.03 O ATOM 72 C3' DC A 3 5.505 -3.790 4.819 1.00 11.34 C ATOM 73 O3' DC A 3 6.528 -2.831 4.563 1.00 44.10 O ATOM 74 C2' DC A 3 4.137 -3.216 4.575 1.00 54.30 C ATOM 75 C1' DC A 3 3.852 -3.747 3.173 1.00 15.21 C ATOM 76 N1 DC A 3 2.414 -3.766 2.831 1.00 63.14 N ATOM 77 C2 DC A 3 2.030 -3.208 1.612 1.00 53.44 C ATOM 78 O2 DC A 3 2.901 -2.727 0.880 1.00 3.40 O ATOM 79 N3 DC A 3 0.726 -3.214 1.280 1.00 52.02 N ATOM 80 C4 DC A 3 -0.190 -3.731 2.071 1.00 54.45 C ATOM 81 N4 DC A 3 -1.472 -3.727 1.726 1.00 5.13 N ATOM 82 C5 DC A 3 0.181 -4.315 3.341 1.00 10.43 C ATOM 83 C6 DC A 3 1.483 -4.302 3.659 1.00 64.10 C ATOM 0 H5' DC A 3 5.907 -7.074 3.756 1.00 2.24 H new ATOM 0 H5'' DC A 3 7.130 -6.229 4.684 1.00 2.24 H new ATOM 0 H4' DC A 3 6.435 -4.742 3.119 1.00 41.50 H new ATOM 0 H3' DC A 3 5.616 -4.102 5.858 1.00 11.34 H new ATOM 0 H2' DC A 3 3.406 -3.564 5.305 1.00 54.30 H new ATOM 0 H2'' DC A 3 4.133 -2.127 4.613 1.00 54.30 H new ATOM 0 H1' DC A 3 4.291 -3.116 2.400 1.00 15.21 H new ATOM 0 H41 DC A 3 -2.169 -4.132 2.351 1.00 5.13 H new ATOM 0 H42 DC A 3 -1.759 -3.319 0.836 1.00 5.13 H new ATOM 0 H5 DC A 3 -0.558 -4.742 4.003 1.00 10.43 H new ATOM 0 H6 DC A 3 1.799 -4.729 4.599 1.00 64.10 H new ATOM 95 P DC A 4 7.685 -2.590 5.641 1.00 23.51 P ATOM 96 OP1 DC A 4 8.738 -3.618 5.481 1.00 23.52 O ATOM 97 OP2 DC A 4 7.087 -2.429 6.985 1.00 64.45 O ATOM 98 O5' DC A 4 8.298 -1.179 5.201 1.00 11.42 O ATOM 99 C5' DC A 4 8.471 -0.878 3.818 1.00 4.21 C ATOM 100 C4' DC A 4 7.787 0.428 3.482 1.00 71.44 C ATOM 101 O4' DC A 4 6.391 0.198 3.386 1.00 22.40 O ATOM 102 C3' DC A 4 7.934 1.509 4.550 1.00 20.15 C ATOM 103 O3' DC A 4 8.447 2.699 3.952 1.00 23.42 O ATOM 104 C2' DC A 4 6.548 1.719 5.093 1.00 42.10 C ATOM 105 C1' DC A 4 5.705 1.326 3.884 1.00 34.35 C ATOM 106 N1 DC A 4 4.306 0.992 4.224 1.00 31.32 N ATOM 107 C2 DC A 4 3.313 1.363 3.318 1.00 11.04 C ATOM 108 O2 DC A 4 3.645 1.950 2.283 1.00 24.32 O ATOM 109 N3 DC A 4 2.031 1.069 3.605 1.00 72.52 N ATOM 110 C4 DC A 4 1.695 0.444 4.715 1.00 74.23 C ATOM 111 N4 DC A 4 0.425 0.163 4.980 1.00 44.50 N ATOM 112 C5 DC A 4 2.703 0.049 5.670 1.00 24.25 C ATOM 113 C6 DC A 4 3.976 0.347 5.369 1.00 25.41 C ATOM 0 H5' DC A 4 8.058 -1.682 3.208 1.00 4.21 H new ATOM 0 H5'' DC A 4 9.533 -0.813 3.582 1.00 4.21 H new ATOM 0 H4' DC A 4 8.257 0.771 2.560 1.00 71.44 H new ATOM 0 H3' DC A 4 8.626 1.230 5.345 1.00 20.15 H new ATOM 0 H2' DC A 4 6.344 1.091 5.960 1.00 42.10 H new ATOM 0 H2'' DC A 4 6.376 2.751 5.399 1.00 42.10 H new ATOM 0 H1' DC A 4 5.607 2.144 3.170 1.00 34.35 H new ATOM 0 H41 DC A 4 0.179 -0.321 5.843 1.00 44.50 H new ATOM 0 H42 DC A 4 -0.305 0.432 4.320 1.00 44.50 H new ATOM 0 H5 DC A 4 2.444 -0.463 6.585 1.00 24.25 H new ATOM 0 H6 DC A 4 4.759 0.065 6.058 1.00 25.41 H new ATOM 125 P DG A 5 9.910 3.220 4.338 1.00 71.52 P ATOM 126 OP1 DG A 5 10.921 2.535 3.502 1.00 33.04 O ATOM 127 OP2 DG A 5 10.087 3.165 5.807 1.00 3.43 O ATOM 128 O5' DG A 5 9.869 4.758 3.903 1.00 34.43 O ATOM 129 C5' DG A 5 9.226 5.140 2.690 1.00 71.01 C ATOM 130 C4' DG A 5 7.884 5.771 2.989 1.00 34.04 C ATOM 131 O4' DG A 5 7.254 4.997 3.907 1.00 11.01 O ATOM 132 C3' DG A 5 7.960 7.055 3.810 1.00 24.10 C ATOM 133 O3' DG A 5 8.089 8.172 2.935 1.00 62.51 O ATOM 134 C2' DG A 5 6.676 7.107 4.587 1.00 53.44 C ATOM 135 C1' DG A 5 6.107 5.722 4.288 1.00 22.34 C ATOM 136 N9 DG A 5 5.440 5.096 5.447 1.00 11.22 N ATOM 137 C8 DG A 5 5.942 4.923 6.689 1.00 42.14 C ATOM 138 N7 DG A 5 5.086 4.323 7.509 1.00 4.55 N ATOM 139 C5 DG A 5 3.980 4.107 6.732 1.00 24.23 C ATOM 140 C6 DG A 5 2.737 3.509 7.024 1.00 22.45 C ATOM 141 O6 DG A 5 2.408 3.042 8.112 1.00 52.21 O ATOM 142 N1 DG A 5 1.823 3.443 6.016 1.00 60.12 N ATOM 143 C2 DG A 5 2.158 3.949 4.806 1.00 45.33 C ATOM 144 N2 DG A 5 1.165 3.809 3.933 1.00 50.12 N ATOM 145 N3 DG A 5 3.306 4.536 4.420 1.00 74.52 N ATOM 146 C4 DG A 5 4.174 4.571 5.470 1.00 31.20 C ATOM 0 H5' DG A 5 9.092 4.268 2.050 1.00 71.01 H new ATOM 0 H5'' DG A 5 9.853 5.843 2.143 1.00 71.01 H new ATOM 0 H4' DG A 5 7.429 5.912 2.009 1.00 34.04 H new ATOM 0 H3' DG A 5 8.819 7.079 4.480 1.00 24.10 H new ATOM 0 H2' DG A 5 6.843 7.264 5.653 1.00 53.44 H new ATOM 0 H2'' DG A 5 6.018 7.907 4.246 1.00 53.44 H new ATOM 0 H1' DG A 5 5.324 5.755 3.531 1.00 22.34 H new ATOM 0 H8 DG A 5 6.932 5.238 6.984 1.00 42.14 H new ATOM 0 H1 DG A 5 0.907 3.022 6.170 1.00 60.12 H new ATOM 0 H21 DG A 5 1.275 4.146 2.977 1.00 50.12 H new ATOM 0 H22 DG A 5 0.293 3.365 4.220 1.00 50.12 H new ATOM 158 P DC A 6 7.944 9.659 3.507 1.00 34.11 P ATOM 159 OP1 DC A 6 8.870 10.563 2.789 1.00 53.01 O ATOM 160 OP2 DC A 6 8.023 9.634 4.985 1.00 14.41 O ATOM 161 O5' DC A 6 6.447 10.057 3.099 1.00 24.35 O ATOM 162 C5' DC A 6 5.774 9.335 2.071 1.00 50.25 C ATOM 163 C4' DC A 6 4.325 9.765 1.999 1.00 60.11 C ATOM 164 O4' DC A 6 3.352 9.004 2.750 1.00 22.10 O ATOM 165 C3' DC A 6 4.058 11.170 2.532 1.00 35.43 C ATOM 166 O3' DC A 6 3.121 11.829 1.683 1.00 51.43 O ATOM 167 C2' DC A 6 3.504 10.971 3.915 1.00 42.21 C ATOM 168 C1' DC A 6 2.616 9.751 3.692 1.00 54.22 C ATOM 169 N1 DC A 6 2.372 8.966 4.921 1.00 54.21 N ATOM 170 C2 DC A 6 1.160 9.161 5.584 1.00 23.22 C ATOM 171 O2 DC A 6 0.354 9.974 5.116 1.00 72.42 O ATOM 172 N3 DC A 6 0.916 8.458 6.705 1.00 74.53 N ATOM 173 C4 DC A 6 1.786 7.596 7.189 1.00 44.21 C ATOM 174 N4 DC A 6 1.525 6.914 8.296 1.00 61.22 N ATOM 175 C5 DC A 6 3.048 7.376 6.521 1.00 62.52 C ATOM 176 C6 DC A 6 3.279 8.083 5.405 1.00 31.40 C ATOM 0 H5' DC A 6 5.835 8.265 2.268 1.00 50.25 H new ATOM 0 H5'' DC A 6 6.262 9.511 1.112 1.00 50.25 H new ATOM 0 H4' DC A 6 4.196 9.636 0.924 1.00 60.11 H new ATOM 0 H3' DC A 6 4.953 11.792 2.558 1.00 35.43 H new ATOM 0 H2' DC A 6 4.286 10.784 4.651 1.00 42.21 H new ATOM 0 H2'' DC A 6 2.939 11.836 4.263 1.00 42.21 H new ATOM 0 H1' DC A 6 1.615 10.029 3.363 1.00 54.22 H new ATOM 0 H41 DC A 6 2.209 6.250 8.659 1.00 61.22 H new ATOM 0 H42 DC A 6 0.641 7.054 8.785 1.00 61.22 H new ATOM 0 H5 DC A 6 3.773 6.673 6.903 1.00 62.52 H new ATOM 0 H6 DC A 6 4.212 7.945 4.878 1.00 31.40 H new ATOM 188 P DA A 7 3.571 12.329 0.231 1.00 14.21 P ATOM 189 OP1 DA A 7 4.864 11.707 -0.133 1.00 42.51 O ATOM 190 OP2 DA A 7 3.480 13.804 0.162 1.00 14.32 O ATOM 191 O5' DA A 7 2.443 11.720 -0.725 1.00 15.42 O ATOM 192 C5' DA A 7 2.176 10.318 -0.711 1.00 14.51 C ATOM 193 C4' DA A 7 0.834 10.039 -1.348 1.00 41.12 C ATOM 194 O4' DA A 7 0.637 8.634 -1.307 1.00 13.13 O ATOM 195 C3' DA A 7 -0.365 10.364 -0.461 1.00 42.52 C ATOM 196 O3' DA A 7 -1.563 10.259 -1.227 1.00 54.02 O ATOM 197 C2' DA A 7 -0.329 9.344 0.644 1.00 61.10 C ATOM 198 C1' DA A 7 0.072 8.094 -0.134 1.00 42.23 C ATOM 199 N9 DA A 7 1.042 7.239 0.582 1.00 2.32 N ATOM 200 C8 DA A 7 1.076 6.968 1.904 1.00 32.32 C ATOM 201 N7 DA A 7 2.078 6.162 2.235 1.00 25.15 N ATOM 202 C5 DA A 7 2.708 5.911 1.046 1.00 32.33 C ATOM 203 C6 DA A 7 3.837 5.128 0.731 1.00 42.14 C ATOM 204 N6 DA A 7 4.561 4.422 1.639 1.00 0.42 N ATOM 205 N1 DA A 7 4.225 5.079 -0.572 1.00 32.10 N ATOM 206 C2 DA A 7 3.511 5.779 -1.483 1.00 20.32 C ATOM 207 N3 DA A 7 2.427 6.554 -1.298 1.00 70.21 N ATOM 208 C4 DA A 7 2.092 6.560 0.022 1.00 51.33 C ATOM 0 H5' DA A 7 2.185 9.948 0.314 1.00 14.51 H new ATOM 0 H5'' DA A 7 2.960 9.785 -1.248 1.00 14.51 H new ATOM 0 H4' DA A 7 0.867 10.582 -2.293 1.00 41.12 H new ATOM 0 H3' DA A 7 -0.333 11.376 -0.058 1.00 42.52 H new ATOM 0 H2' DA A 7 0.395 9.599 1.418 1.00 61.10 H new ATOM 0 H2'' DA A 7 -1.296 9.233 1.135 1.00 61.10 H new ATOM 0 H1' DA A 7 -0.774 7.429 -0.307 1.00 42.23 H new ATOM 0 H8 DA A 7 0.366 7.364 2.615 1.00 32.32 H new ATOM 0 H61 DA A 7 5.368 3.877 1.335 1.00 0.42 H new ATOM 0 H62 DA A 7 4.298 4.437 2.624 1.00 0.42 H new ATOM 0 H2 DA A 7 3.860 5.705 -2.502 1.00 20.32 H new ATOM 220 P DG A 8 -2.947 10.797 -0.626 1.00 71.52 P ATOM 221 OP1 DG A 8 -3.421 11.951 -1.423 1.00 22.31 O ATOM 222 OP2 DG A 8 -2.813 10.985 0.836 1.00 75.24 O ATOM 223 O5' DG A 8 -3.948 9.576 -0.879 1.00 44.42 O ATOM 224 C5' DG A 8 -3.599 8.265 -0.436 1.00 65.34 C ATOM 225 C4' DG A 8 -3.581 7.310 -1.606 1.00 5.14 C ATOM 226 O4' DG A 8 -2.585 6.423 -1.271 1.00 35.23 O ATOM 227 C3' DG A 8 -4.754 6.333 -1.641 1.00 24.33 C ATOM 228 O3' DG A 8 -5.769 6.842 -2.503 1.00 33.32 O ATOM 229 C2' DG A 8 -4.182 5.044 -2.162 1.00 12.44 C ATOM 230 C1' DG A 8 -2.811 5.049 -1.491 1.00 13.51 C ATOM 231 N9 DG A 8 -2.773 4.291 -0.223 1.00 71.33 N ATOM 232 C8 DG A 8 -3.789 4.092 0.642 1.00 3.51 C ATOM 233 N7 DG A 8 -3.431 3.363 1.694 1.00 22.13 N ATOM 234 C5 DG A 8 -2.107 3.092 1.471 1.00 63.32 C ATOM 235 C6 DG A 8 -1.161 2.362 2.223 1.00 60.44 C ATOM 236 O6 DG A 8 -1.384 1.801 3.295 1.00 24.22 O ATOM 237 N1 DG A 8 0.101 2.273 1.723 1.00 24.25 N ATOM 238 C2 DG A 8 0.374 2.880 0.547 1.00 22.43 C ATOM 239 N2 DG A 8 1.646 2.701 0.194 1.00 33.55 N ATOM 240 N3 DG A 8 -0.442 3.597 -0.248 1.00 22.35 N ATOM 241 C4 DG A 8 -1.685 3.649 0.306 1.00 11.35 C ATOM 0 H5' DG A 8 -4.314 7.923 0.312 1.00 65.34 H new ATOM 0 H5'' DG A 8 -2.620 8.283 0.044 1.00 65.34 H new ATOM 0 H4' DG A 8 -3.530 7.907 -2.517 1.00 5.14 H new ATOM 0 H3' DG A 8 -5.214 6.186 -0.664 1.00 24.33 H new ATOM 0 H2' DG A 8 -4.780 4.180 -1.874 1.00 12.44 H new ATOM 0 H2'' DG A 8 -4.110 5.033 -3.250 1.00 12.44 H new ATOM 0 H1' DG A 8 -2.053 4.561 -2.103 1.00 13.51 H new ATOM 0 H8 DG A 8 -4.785 4.483 0.495 1.00 3.51 H new ATOM 0 H1 DG A 8 0.825 1.759 2.225 1.00 24.25 H new ATOM 0 H21 DG A 8 1.996 3.105 -0.675 1.00 33.55 H new ATOM 0 H22 DG A 8 2.270 2.160 0.793 1.00 33.55 H new ATOM 253 P DT A 9 -7.274 6.311 -2.369 1.00 23.31 P ATOM 254 OP1 DT A 9 -8.015 6.593 -3.618 1.00 41.45 O ATOM 255 OP2 DT A 9 -7.862 6.798 -1.100 1.00 65.04 O ATOM 256 O5' DT A 9 -7.087 4.726 -2.251 1.00 63.42 O ATOM 257 C5' DT A 9 -7.455 3.882 -3.339 1.00 30.12 C ATOM 258 C4' DT A 9 -6.411 2.806 -3.539 1.00 75.14 C ATOM 259 O4' DT A 9 -5.953 2.296 -2.305 1.00 35.40 O ATOM 260 C3' DT A 9 -6.936 1.535 -4.200 1.00 45.22 C ATOM 261 O3' DT A 9 -5.904 0.953 -4.995 1.00 34.01 O ATOM 262 C2' DT A 9 -7.331 0.632 -3.063 1.00 54.31 C ATOM 263 C1' DT A 9 -6.222 0.934 -2.061 1.00 40.44 C ATOM 264 N1 DT A 9 -6.623 0.715 -0.654 1.00 11.13 N ATOM 265 C2 DT A 9 -5.747 0.017 0.119 1.00 41.13 C ATOM 266 O2 DT A 9 -4.681 -0.417 -0.286 1.00 12.51 O ATOM 267 N3 DT A 9 -6.118 -0.188 1.429 1.00 44.33 N ATOM 268 C4 DT A 9 -7.297 0.266 1.966 1.00 11.54 C ATOM 269 O4 DT A 9 -7.525 0.022 3.149 1.00 73.10 O ATOM 270 C5 DT A 9 -8.174 0.986 1.113 1.00 60.20 C ATOM 271 C7 DT A 9 -9.485 1.509 1.649 1.00 34.13 C ATOM 272 C6 DT A 9 -7.795 1.176 -0.154 1.00 50.35 C ATOM 0 H5' DT A 9 -7.558 4.473 -4.249 1.00 30.12 H new ATOM 0 H5'' DT A 9 -8.426 3.426 -3.143 1.00 30.12 H new ATOM 0 H4' DT A 9 -5.661 3.316 -4.144 1.00 75.14 H new ATOM 0 H3' DT A 9 -7.781 1.719 -4.863 1.00 45.22 H new ATOM 0 H2' DT A 9 -8.319 0.870 -2.670 1.00 54.31 H new ATOM 0 H2'' DT A 9 -7.349 -0.418 -3.356 1.00 54.31 H new ATOM 0 H1' DT A 9 -5.364 0.275 -2.190 1.00 40.44 H new ATOM 0 H3 DT A 9 -5.481 -0.706 2.034 1.00 44.33 H new ATOM 0 H71 DT A 9 -9.760 2.418 1.114 1.00 34.13 H new ATOM 0 H72 DT A 9 -10.261 0.756 1.510 1.00 34.13 H new ATOM 0 H73 DT A 9 -9.381 1.731 2.711 1.00 34.13 H new ATOM 0 H6 DT A 9 -8.454 1.723 -0.811 1.00 50.35 H new ATOM 285 P DG A 10 -5.569 1.559 -6.437 1.00 34.43 P ATOM 286 OP1 DG A 10 -6.261 2.857 -6.606 1.00 14.11 O ATOM 287 OP2 DG A 10 -5.792 0.529 -7.475 1.00 0.42 O ATOM 288 O5' DG A 10 -3.999 1.845 -6.352 1.00 71.03 O ATOM 289 C5' DG A 10 -3.524 3.033 -5.719 1.00 61.12 C ATOM 290 C4' DG A 10 -2.046 3.208 -5.989 1.00 73.15 C ATOM 291 O4' DG A 10 -1.206 2.827 -4.965 1.00 51.54 O ATOM 292 C3' DG A 10 -1.472 2.242 -7.021 1.00 54.44 C ATOM 293 O3' DG A 10 -0.249 2.764 -7.533 1.00 53.03 O ATOM 294 C2' DG A 10 -1.256 0.952 -6.280 1.00 42.33 C ATOM 295 C1' DG A 10 -0.797 1.478 -4.923 1.00 20.02 C ATOM 296 N9 DG A 10 -1.408 0.769 -3.779 1.00 51.41 N ATOM 297 C8 DG A 10 -2.721 0.548 -3.558 1.00 33.44 C ATOM 298 N7 DG A 10 -2.945 -0.123 -2.432 1.00 12.13 N ATOM 299 C5 DG A 10 -1.694 -0.334 -1.920 1.00 60.42 C ATOM 300 C6 DG A 10 -1.264 -0.986 -0.746 1.00 61.05 C ATOM 301 O6 DG A 10 -1.997 -1.520 0.084 1.00 10.43 O ATOM 302 N1 DG A 10 0.076 -1.029 -0.509 1.00 61.40 N ATOM 303 C2 DG A 10 0.909 -0.448 -1.404 1.00 4.44 C ATOM 304 N2 DG A 10 2.180 -0.575 -1.032 1.00 34.14 N ATOM 305 N3 DG A 10 0.610 0.195 -2.547 1.00 53.02 N ATOM 306 C4 DG A 10 -0.741 0.203 -2.726 1.00 4.23 C ATOM 0 H5' DG A 10 -3.702 2.979 -4.645 1.00 61.12 H new ATOM 0 H5'' DG A 10 -4.075 3.898 -6.090 1.00 61.12 H new ATOM 0 H4' DG A 10 -2.055 4.268 -6.242 1.00 73.15 H new ATOM 0 H3' DG A 10 -2.132 2.093 -7.875 1.00 54.44 H new ATOM 0 H2' DG A 10 -2.168 0.359 -6.207 1.00 42.33 H new ATOM 0 H2'' DG A 10 -0.504 0.323 -6.756 1.00 42.33 H new ATOM 0 H1' DG A 10 0.273 1.337 -4.768 1.00 20.02 H new ATOM 0 H8 DG A 10 -3.504 0.880 -4.223 1.00 33.44 H new ATOM 0 H1 DG A 10 0.444 -1.489 0.324 1.00 61.40 H new ATOM 0 H21 DG A 10 2.923 -0.184 -1.612 1.00 34.14 H new ATOM 0 H22 DG A 10 2.412 -1.063 -0.167 1.00 34.14 H new ATOM 318 P DC A 11 0.226 2.386 -9.013 1.00 31.20 P ATOM 319 OP1 DC A 11 1.263 3.342 -9.463 1.00 43.22 O ATOM 320 OP2 DC A 11 -0.957 2.202 -9.885 1.00 62.43 O ATOM 321 O5' DC A 11 0.921 0.960 -8.814 1.00 42.00 O ATOM 322 C5' DC A 11 1.933 0.791 -7.823 1.00 33.44 C ATOM 323 C4' DC A 11 2.048 -0.667 -7.440 1.00 65.10 C ATOM 324 O4' DC A 11 1.197 -1.046 -6.353 1.00 70.22 O ATOM 325 C3' DC A 11 1.706 -1.643 -8.561 1.00 15.13 C ATOM 326 O3' DC A 11 2.858 -2.421 -8.880 1.00 43.54 O ATOM 327 C2' DC A 11 0.595 -2.498 -8.020 1.00 52.03 C ATOM 328 C1' DC A 11 0.871 -2.407 -6.521 1.00 11.33 C ATOM 329 N1 DC A 11 -0.285 -2.787 -5.683 1.00 1.24 N ATOM 330 C2 DC A 11 -0.070 -3.713 -4.664 1.00 53.10 C ATOM 331 O2 DC A 11 1.068 -4.169 -4.509 1.00 12.10 O ATOM 332 N3 DC A 11 -1.108 -4.075 -3.889 1.00 70.03 N ATOM 333 C4 DC A 11 -2.314 -3.578 -4.068 1.00 15.32 C ATOM 334 N4 DC A 11 -3.326 -3.948 -3.292 1.00 73.05 N ATOM 335 C5 DC A 11 -2.565 -2.618 -5.119 1.00 50.43 C ATOM 336 C6 DC A 11 -1.522 -2.268 -5.884 1.00 23.01 C ATOM 0 H5' DC A 11 1.694 1.388 -6.943 1.00 33.44 H new ATOM 0 H5'' DC A 11 2.889 1.151 -8.203 1.00 33.44 H new ATOM 0 H4' DC A 11 3.102 -0.737 -7.170 1.00 65.10 H new ATOM 0 H3' DC A 11 1.398 -1.143 -9.479 1.00 15.13 H new ATOM 0 H2' DC A 11 -0.390 -2.112 -8.283 1.00 52.03 H new ATOM 0 H2'' DC A 11 0.645 -3.523 -8.388 1.00 52.03 H new ATOM 0 H1' DC A 11 1.652 -3.099 -6.206 1.00 11.33 H new ATOM 0 H41 DC A 11 -4.255 -3.554 -3.443 1.00 73.05 H new ATOM 0 H42 DC A 11 -3.175 -4.626 -2.545 1.00 73.05 H new ATOM 0 H5 DC A 11 -3.548 -2.202 -5.280 1.00 50.43 H new ATOM 0 H6 DC A 11 -1.670 -1.554 -6.681 1.00 23.01 H new ATOM 348 P DC A 12 3.028 -3.034 -10.349 1.00 61.35 P ATOM 349 OP1 DC A 12 3.724 -2.058 -11.218 1.00 14.25 O ATOM 350 OP2 DC A 12 1.730 -3.565 -10.820 1.00 22.22 O ATOM 351 O5' DC A 12 4.013 -4.272 -10.110 1.00 70.44 O ATOM 352 C5' DC A 12 5.041 -4.186 -9.126 1.00 70.32 C ATOM 353 C4' DC A 12 4.908 -5.321 -8.136 1.00 44.42 C ATOM 354 O4' DC A 12 3.639 -5.275 -7.514 1.00 43.22 O ATOM 355 C3' DC A 12 4.968 -6.713 -8.760 1.00 12.22 C ATOM 356 O3' DC A 12 5.873 -7.532 -8.006 1.00 2.43 O ATOM 357 C2' DC A 12 3.559 -7.238 -8.692 1.00 5.32 C ATOM 358 C1' DC A 12 3.064 -6.559 -7.420 1.00 41.22 C ATOM 359 N1 DC A 12 1.590 -6.477 -7.329 1.00 14.13 N ATOM 360 C2 DC A 12 1.000 -6.765 -6.100 1.00 42.02 C ATOM 361 O2 DC A 12 1.729 -7.072 -5.149 1.00 2.04 O ATOM 362 N3 DC A 12 -0.339 -6.699 -5.993 1.00 2.40 N ATOM 363 C4 DC A 12 -1.102 -6.370 -7.017 1.00 70.15 C ATOM 364 N4 DC A 12 -2.421 -6.311 -6.891 1.00 32.25 N ATOM 365 C5 DC A 12 -0.514 -6.068 -8.301 1.00 32.12 C ATOM 366 C6 DC A 12 0.822 -6.139 -8.392 1.00 53.13 C ATOM 0 H5' DC A 12 4.978 -3.230 -8.606 1.00 70.32 H new ATOM 0 H5'' DC A 12 6.019 -4.224 -9.606 1.00 70.32 H new ATOM 0 H4' DC A 12 5.748 -5.181 -7.456 1.00 44.42 H new ATOM 0 H3' DC A 12 5.330 -6.705 -9.788 1.00 12.22 H new ATOM 0 H2' DC A 12 2.971 -6.958 -9.566 1.00 5.32 H new ATOM 0 H2'' DC A 12 3.526 -8.325 -8.620 1.00 5.32 H new ATOM 0 HO3' DC A 12 5.912 -8.427 -8.403 1.00 2.43 H new ATOM 0 H1' DC A 12 3.345 -7.114 -6.525 1.00 41.22 H new ATOM 0 H41 DC A 12 -2.999 -6.055 -7.692 1.00 32.25 H new ATOM 0 H42 DC A 12 -2.857 -6.522 -5.993 1.00 32.25 H new ATOM 0 H5 DC A 12 -1.123 -5.797 -9.150 1.00 32.12 H new ATOM 0 H6 DC A 12 1.298 -5.921 -9.337 1.00 53.13 H new TER 379 DC A 12