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 30:sc= -0.0405 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 -2.910 -8.711 5.815 1.00 2.24 O ATOM 2 C5' DG A 1 -3.678 -9.889 5.571 1.00 70.43 C ATOM 3 C4' DG A 1 -3.458 -10.366 4.153 1.00 75.23 C ATOM 4 O4' DG A 1 -3.811 -9.358 3.278 1.00 22.13 O ATOM 5 C3' DG A 1 -1.992 -10.459 3.739 1.00 51.40 C ATOM 6 O3' DG A 1 -1.472 -11.729 4.123 1.00 12.13 O ATOM 7 C2' DG A 1 -1.992 -10.291 2.244 1.00 45.53 C ATOM 8 C1' DG A 1 -3.431 -9.838 2.009 1.00 23.45 C ATOM 9 N9 DG A 1 -3.554 -8.783 0.981 1.00 63.52 N ATOM 10 C8 DG A 1 -4.316 -7.671 1.035 1.00 52.40 C ATOM 11 N7 DG A 1 -4.206 -6.919 -0.056 1.00 14.45 N ATOM 12 C5 DG A 1 -3.318 -7.606 -0.839 1.00 14.41 C ATOM 13 C6 DG A 1 -2.790 -7.328 -2.118 1.00 42.03 C ATOM 14 O6 DG A 1 -3.061 -6.341 -2.802 1.00 40.23 O ATOM 15 N1 DG A 1 -1.909 -8.225 -2.640 1.00 61.43 N ATOM 16 C2 DG A 1 -1.593 -9.317 -1.911 1.00 33.31 C ATOM 17 N2 DG A 1 -0.725 -10.094 -2.555 1.00 63.52 N ATOM 18 N3 DG A 1 -2.033 -9.682 -0.692 1.00 21.53 N ATOM 19 C4 DG A 1 -2.906 -8.746 -0.226 1.00 13.24 C ATOM 0 H5' DG A 1 -4.736 -9.683 5.734 1.00 70.43 H new ATOM 0 H5'' DG A 1 -3.393 -10.671 6.275 1.00 70.43 H new ATOM 0 H4' DG A 1 -3.996 -11.313 4.122 1.00 75.23 H new ATOM 0 H3' DG A 1 -1.366 -9.704 4.215 1.00 51.40 H new ATOM 0 H2' DG A 1 -1.265 -9.550 1.911 1.00 45.53 H new ATOM 0 H2'' DG A 1 -1.761 -11.220 1.723 1.00 45.53 H new ATOM 0 HO5' DG A 1 -2.806 -8.209 4.980 1.00 2.24 H new ATOM 0 H1' DG A 1 -4.058 -10.644 1.627 1.00 23.45 H new ATOM 0 H8 DG A 1 -4.947 -7.419 1.874 1.00 52.40 H new ATOM 0 H1 DG A 1 -1.497 -8.076 -3.561 1.00 61.43 H new ATOM 0 H21 DG A 1 -0.395 -10.957 -2.123 1.00 63.52 H new ATOM 0 H22 DG A 1 -0.390 -9.826 -3.480 1.00 63.52 H new ATOM 32 P DG A 2 0.070 -12.072 3.862 1.00 22.25 P ATOM 33 OP1 DG A 2 0.358 -11.998 2.412 1.00 1.41 O ATOM 34 OP2 DG A 2 0.428 -13.325 4.566 1.00 70.44 O ATOM 35 O5' DG A 2 0.836 -10.865 4.580 1.00 51.34 O ATOM 36 C5' DG A 2 2.235 -10.687 4.380 1.00 10.42 C ATOM 37 C4' DG A 2 2.518 -9.284 3.894 1.00 1.12 C ATOM 38 O4' DG A 2 1.521 -8.877 3.018 1.00 73.13 O ATOM 39 C3' DG A 2 2.516 -8.226 4.993 1.00 64.12 C ATOM 40 O3' DG A 2 3.854 -7.788 5.233 1.00 14.25 O ATOM 41 C2' DG A 2 1.655 -7.110 4.469 1.00 25.43 C ATOM 42 C1' DG A 2 1.596 -7.469 2.987 1.00 62.13 C ATOM 43 N9 DG A 2 0.431 -6.888 2.286 1.00 24.32 N ATOM 44 C8 DG A 2 -0.844 -6.838 2.720 1.00 71.01 C ATOM 45 N7 DG A 2 -1.658 -6.246 1.851 1.00 44.54 N ATOM 46 C5 DG A 2 -0.838 -5.906 0.812 1.00 31.55 C ATOM 47 C6 DG A 2 -1.100 -5.253 -0.412 1.00 41.41 C ATOM 48 O6 DG A 2 -2.200 -4.847 -0.782 1.00 41.25 O ATOM 49 N1 DG A 2 -0.049 -5.057 -1.254 1.00 23.43 N ATOM 50 C2 DG A 2 1.173 -5.494 -0.877 1.00 51.15 C ATOM 51 N2 DG A 2 2.090 -5.228 -1.802 1.00 20.34 N ATOM 52 N3 DG A 2 1.536 -6.122 0.258 1.00 73.44 N ATOM 53 C4 DG A 2 0.444 -6.288 1.056 1.00 31.13 C ATOM 0 H5' DG A 2 2.601 -11.412 3.653 1.00 10.42 H new ATOM 0 H5'' DG A 2 2.769 -10.872 5.312 1.00 10.42 H new ATOM 0 H4' DG A 2 3.509 -9.348 3.445 1.00 1.12 H new ATOM 0 H3' DG A 2 2.131 -8.600 5.942 1.00 64.12 H new ATOM 0 H2' DG A 2 0.668 -7.097 4.931 1.00 25.43 H new ATOM 0 H2'' DG A 2 2.100 -6.130 4.640 1.00 25.43 H new ATOM 0 H1' DG A 2 2.449 -7.075 2.435 1.00 62.13 H new ATOM 0 H8 DG A 2 -1.169 -7.235 3.670 1.00 71.01 H new ATOM 0 H1 DG A 2 -0.181 -4.590 -2.151 1.00 23.43 H new ATOM 0 H21 DG A 2 3.061 -5.502 -1.651 1.00 20.34 H new ATOM 0 H22 DG A 2 1.823 -4.750 -2.662 1.00 20.34 H new ATOM 65 P DC A 3 4.214 -7.023 6.589 1.00 61.32 P ATOM 66 OP1 DC A 3 4.918 -7.943 7.510 1.00 23.43 O ATOM 67 OP2 DC A 3 3.012 -6.329 7.105 1.00 4.14 O ATOM 68 O5' DC A 3 5.257 -5.910 6.107 1.00 20.24 O ATOM 69 C5' DC A 3 6.244 -6.233 5.130 1.00 31.41 C ATOM 70 C4' DC A 3 6.140 -5.289 3.953 1.00 61.31 C ATOM 71 O4' DC A 3 4.833 -5.244 3.538 1.00 14.43 O ATOM 72 C3' DC A 3 6.492 -3.840 4.274 1.00 3.30 C ATOM 73 O3' DC A 3 7.734 -3.506 3.656 1.00 70.44 O ATOM 74 C2' DC A 3 5.360 -3.022 3.717 1.00 25.23 C ATOM 75 C1' DC A 3 4.693 -4.048 2.806 1.00 62.14 C ATOM 76 N1 DC A 3 3.270 -3.753 2.531 1.00 61.44 N ATOM 77 C2 DC A 3 2.924 -3.383 1.234 1.00 72.42 C ATOM 78 O2 DC A 3 3.815 -3.318 0.379 1.00 0.24 O ATOM 79 N3 DC A 3 1.635 -3.110 0.959 1.00 71.54 N ATOM 80 C4 DC A 3 0.698 -3.183 1.882 1.00 15.01 C ATOM 81 N4 DC A 3 -0.568 -2.910 1.592 1.00 22.44 N ATOM 82 C5 DC A 3 1.031 -3.565 3.235 1.00 63.21 C ATOM 83 C6 DC A 3 2.318 -3.834 3.493 1.00 73.44 C ATOM 0 H5' DC A 3 6.111 -7.261 4.794 1.00 31.41 H new ATOM 0 H5'' DC A 3 7.239 -6.168 5.571 1.00 31.41 H new ATOM 0 H4' DC A 3 6.843 -5.675 3.215 1.00 61.31 H new ATOM 0 H3' DC A 3 6.611 -3.659 5.342 1.00 3.30 H new ATOM 0 H2' DC A 3 4.688 -2.661 4.496 1.00 25.23 H new ATOM 0 H2'' DC A 3 5.711 -2.148 3.169 1.00 25.23 H new ATOM 0 H1' DC A 3 5.146 -4.073 1.815 1.00 62.14 H new ATOM 0 H41 DC A 3 -1.282 -2.971 2.318 1.00 22.44 H new ATOM 0 H42 DC A 3 -0.827 -2.639 0.643 1.00 22.44 H new ATOM 0 H5 DC A 3 0.276 -3.631 4.004 1.00 63.21 H new ATOM 0 H6 DC A 3 2.605 -4.123 4.493 1.00 73.44 H new ATOM 95 P DC A 4 8.415 -2.086 3.943 1.00 1.31 P ATOM 96 OP1 DC A 4 9.872 -2.263 4.132 1.00 21.30 O ATOM 97 OP2 DC A 4 7.669 -1.383 5.010 1.00 72.31 O ATOM 98 O5' DC A 4 8.186 -1.293 2.572 1.00 40.24 O ATOM 99 C5' DC A 4 9.242 -0.518 2.012 1.00 21.03 C ATOM 100 C4' DC A 4 8.739 0.860 1.646 1.00 71.45 C ATOM 101 O4' DC A 4 7.372 0.724 1.245 1.00 11.34 O ATOM 102 C3' DC A 4 8.663 1.835 2.817 1.00 64.23 C ATOM 103 O3' DC A 4 9.075 3.130 2.385 1.00 1.23 O ATOM 104 C2' DC A 4 7.221 1.829 3.245 1.00 45.22 C ATOM 105 C1' DC A 4 6.527 1.641 1.900 1.00 53.34 C ATOM 106 N1 DC A 4 5.152 1.110 2.017 1.00 53.22 N ATOM 107 C2 DC A 4 4.211 1.536 1.080 1.00 53.33 C ATOM 108 O2 DC A 4 4.568 2.331 0.204 1.00 3.14 O ATOM 109 N3 DC A 4 2.953 1.066 1.166 1.00 60.13 N ATOM 110 C4 DC A 4 2.592 0.220 2.108 1.00 13.43 C ATOM 111 N4 DC A 4 1.346 -0.233 2.175 1.00 34.52 N ATOM 112 C5 DC A 4 3.545 -0.238 3.091 1.00 23.43 C ATOM 113 C6 DC A 4 4.795 0.239 2.992 1.00 63.04 C ATOM 0 H5' DC A 4 9.639 -1.016 1.127 1.00 21.03 H new ATOM 0 H5'' DC A 4 10.062 -0.436 2.726 1.00 21.03 H new ATOM 0 H4' DC A 4 9.432 1.239 0.894 1.00 71.45 H new ATOM 0 H3' DC A 4 9.316 1.556 3.644 1.00 64.23 H new ATOM 0 H2' DC A 4 7.000 1.020 3.941 1.00 45.22 H new ATOM 0 H2'' DC A 4 6.931 2.759 3.734 1.00 45.22 H new ATOM 0 H1' DC A 4 6.394 2.585 1.372 1.00 53.34 H new ATOM 0 H41 DC A 4 1.080 -0.888 2.910 1.00 34.52 H new ATOM 0 H42 DC A 4 0.654 0.074 1.491 1.00 34.52 H new ATOM 0 H5 DC A 4 3.265 -0.932 3.870 1.00 23.43 H new ATOM 0 H6 DC A 4 5.537 -0.080 3.709 1.00 63.04 H new ATOM 125 P DG A 5 9.503 4.235 3.460 1.00 52.11 P ATOM 126 OP1 DG A 5 10.946 4.104 3.761 1.00 13.14 O ATOM 127 OP2 DG A 5 8.563 4.209 4.603 1.00 53.10 O ATOM 128 O5' DG A 5 9.284 5.608 2.669 1.00 70.15 O ATOM 129 C5' DG A 5 8.189 5.745 1.768 1.00 63.41 C ATOM 130 C4' DG A 5 6.919 6.041 2.532 1.00 14.15 C ATOM 131 O4' DG A 5 6.508 4.915 3.152 1.00 61.35 O ATOM 132 C3' DG A 5 7.118 6.905 3.774 1.00 2.31 C ATOM 133 O3' DG A 5 7.048 8.281 3.412 1.00 15.05 O ATOM 134 C2' DG A 5 6.002 6.521 4.706 1.00 72.14 C ATOM 135 C1' DG A 5 5.440 5.297 3.988 1.00 53.32 C ATOM 136 N9 DG A 5 5.058 4.200 4.904 1.00 4.41 N ATOM 137 C8 DG A 5 5.779 3.705 5.932 1.00 62.11 C ATOM 138 N7 DG A 5 5.155 2.716 6.563 1.00 5.33 N ATOM 139 C5 DG A 5 3.973 2.586 5.887 1.00 3.04 C ATOM 140 C6 DG A 5 2.880 1.711 6.071 1.00 22.43 C ATOM 141 O6 DG A 5 2.800 0.847 6.943 1.00 75.40 O ATOM 142 N1 DG A 5 1.830 1.832 5.214 1.00 74.43 N ATOM 143 C2 DG A 5 1.892 2.774 4.247 1.00 63.31 C ATOM 144 N2 DG A 5 0.794 2.768 3.494 1.00 23.11 N ATOM 145 N3 DG A 5 2.875 3.655 3.979 1.00 45.10 N ATOM 146 C4 DG A 5 3.894 3.483 4.869 1.00 52.01 C ATOM 0 H5' DG A 5 8.069 4.830 1.189 1.00 63.41 H new ATOM 0 H5'' DG A 5 8.391 6.547 1.058 1.00 63.41 H new ATOM 0 H4' DG A 5 6.269 6.494 1.783 1.00 14.15 H new ATOM 0 H3' DG A 5 8.089 6.753 4.246 1.00 2.31 H new ATOM 0 H2' DG A 5 6.362 6.284 5.707 1.00 72.14 H new ATOM 0 H2'' DG A 5 5.262 7.314 4.813 1.00 72.14 H new ATOM 0 H1' DG A 5 4.514 5.522 3.459 1.00 53.32 H new ATOM 0 H8 DG A 5 6.756 4.072 6.211 1.00 62.11 H new ATOM 0 H1 DG A 5 1.014 1.225 5.300 1.00 74.43 H new ATOM 0 H21 DG A 5 0.701 3.428 2.722 1.00 23.11 H new ATOM 0 H22 DG A 5 0.046 2.103 3.689 1.00 23.11 H new ATOM 158 P DC A 6 7.257 9.413 4.522 1.00 54.02 P ATOM 159 OP1 DC A 6 8.400 10.275 4.146 1.00 3.24 O ATOM 160 OP2 DC A 6 7.282 8.793 5.867 1.00 34.21 O ATOM 161 O5' DC A 6 5.920 10.285 4.404 1.00 63.44 O ATOM 162 C5' DC A 6 4.845 10.066 5.314 1.00 52.11 C ATOM 163 C4' DC A 6 3.521 10.261 4.610 1.00 33.43 C ATOM 164 O4' DC A 6 2.819 9.026 4.449 1.00 25.31 O ATOM 165 C3' DC A 6 2.484 11.034 5.419 1.00 4.21 C ATOM 166 O3' DC A 6 1.595 11.710 4.530 1.00 13.54 O ATOM 167 C2' DC A 6 1.763 9.996 6.236 1.00 23.22 C ATOM 168 C1' DC A 6 1.649 8.863 5.220 1.00 75.11 C ATOM 169 N1 DC A 6 1.598 7.523 5.837 1.00 52.41 N ATOM 170 C2 DC A 6 0.346 6.925 5.983 1.00 41.24 C ATOM 171 O2 DC A 6 -0.653 7.540 5.595 1.00 61.21 O ATOM 172 N3 DC A 6 0.272 5.703 6.542 1.00 22.44 N ATOM 173 C4 DC A 6 1.349 5.062 6.952 1.00 21.44 C ATOM 174 N4 DC A 6 1.255 3.857 7.501 1.00 40.52 N ATOM 175 C5 DC A 6 2.657 5.659 6.810 1.00 40.40 C ATOM 176 C6 DC A 6 2.714 6.876 6.252 1.00 42.02 C ATOM 0 H5' DC A 6 4.924 10.755 6.155 1.00 52.11 H new ATOM 0 H5'' DC A 6 4.904 9.057 5.722 1.00 52.11 H new ATOM 0 H4' DC A 6 3.827 10.765 3.694 1.00 33.43 H new ATOM 0 H3' DC A 6 2.928 11.795 6.061 1.00 4.21 H new ATOM 0 H2' DC A 6 2.326 9.702 7.122 1.00 23.22 H new ATOM 0 H2'' DC A 6 0.788 10.343 6.579 1.00 23.22 H new ATOM 0 H1' DC A 6 0.723 8.916 4.648 1.00 75.11 H new ATOM 0 H41 DC A 6 2.096 3.372 7.814 1.00 40.52 H new ATOM 0 H42 DC A 6 0.342 3.416 7.610 1.00 40.52 H new ATOM 0 H5 DC A 6 3.549 5.147 7.139 1.00 40.40 H new ATOM 0 H6 DC A 6 3.675 7.354 6.130 1.00 42.02 H new ATOM 188 P DA A 7 0.612 12.840 5.088 1.00 42.15 P ATOM 189 OP1 DA A 7 1.056 14.168 4.608 1.00 23.31 O ATOM 190 OP2 DA A 7 0.431 12.669 6.548 1.00 52.30 O ATOM 191 O5' DA A 7 -0.777 12.495 4.373 1.00 10.22 O ATOM 192 C5' DA A 7 -1.242 11.147 4.331 1.00 71.33 C ATOM 193 C4' DA A 7 -1.368 10.686 2.896 1.00 32.11 C ATOM 194 O4' DA A 7 -0.292 9.830 2.475 1.00 14.15 O ATOM 195 C3' DA A 7 -2.612 9.849 2.612 1.00 2.23 C ATOM 196 O3' DA A 7 -3.238 10.322 1.420 1.00 71.01 O ATOM 197 C2' DA A 7 -2.112 8.441 2.450 1.00 4.44 C ATOM 198 C1' DA A 7 -0.761 8.690 1.790 1.00 22.51 C ATOM 199 N9 DA A 7 0.182 7.559 1.927 1.00 61.44 N ATOM 200 C8 DA A 7 0.128 6.553 2.825 1.00 14.22 C ATOM 201 N7 DA A 7 1.128 5.689 2.686 1.00 71.43 N ATOM 202 C5 DA A 7 1.851 6.190 1.638 1.00 4.22 C ATOM 203 C6 DA A 7 3.027 5.727 1.009 1.00 63.42 C ATOM 204 N6 DA A 7 3.704 4.608 1.369 1.00 2.42 N ATOM 205 N1 DA A 7 3.512 6.461 -0.030 1.00 21.54 N ATOM 206 C2 DA A 7 2.846 7.579 -0.395 1.00 74.41 C ATOM 207 N3 DA A 7 1.724 8.109 0.127 1.00 43.12 N ATOM 208 C4 DA A 7 1.293 7.331 1.158 1.00 11.21 C ATOM 0 H5' DA A 7 -2.207 11.071 4.832 1.00 71.33 H new ATOM 0 H5'' DA A 7 -0.551 10.499 4.870 1.00 71.33 H new ATOM 0 H4' DA A 7 -1.387 11.637 2.363 1.00 32.11 H new ATOM 0 H3' DA A 7 -3.356 9.909 3.406 1.00 2.23 H new ATOM 0 H2' DA A 7 -2.016 7.924 3.405 1.00 4.44 H new ATOM 0 H2'' DA A 7 -2.772 7.838 1.826 1.00 4.44 H new ATOM 0 H1' DA A 7 -0.850 8.818 0.711 1.00 22.51 H new ATOM 0 H8 DA A 7 -0.644 6.460 3.575 1.00 14.22 H new ATOM 0 H61 DA A 7 4.548 4.338 0.864 1.00 2.42 H new ATOM 0 H62 DA A 7 3.369 4.036 2.144 1.00 2.42 H new ATOM 0 H2 DA A 7 3.275 8.124 -1.223 1.00 74.41 H new ATOM 220 P DG A 8 -4.645 9.714 0.961 1.00 30.42 P ATOM 221 OP1 DG A 8 -5.615 10.810 0.746 1.00 1.14 O ATOM 222 OP2 DG A 8 -5.041 8.623 1.881 1.00 35.41 O ATOM 223 O5' DG A 8 -4.308 9.064 -0.461 1.00 10.53 O ATOM 224 C5' DG A 8 -2.957 8.780 -0.814 1.00 72.43 C ATOM 225 C4' DG A 8 -2.897 8.174 -2.198 1.00 32.43 C ATOM 226 O4' DG A 8 -1.839 7.310 -2.111 1.00 71.31 O ATOM 227 C3' DG A 8 -4.012 7.178 -2.499 1.00 52.20 C ATOM 228 O3' DG A 8 -5.045 7.830 -3.235 1.00 20.03 O ATOM 229 C2' DG A 8 -3.364 6.086 -3.306 1.00 65.42 C ATOM 230 C1' DG A 8 -1.997 6.008 -2.631 1.00 1.00 C ATOM 231 N9 DG A 8 -1.927 4.992 -1.560 1.00 75.44 N ATOM 232 C8 DG A 8 -2.914 4.624 -0.715 1.00 3.42 C ATOM 233 N7 DG A 8 -2.528 3.679 0.138 1.00 55.25 N ATOM 234 C5 DG A 8 -1.222 3.446 -0.194 1.00 24.23 C ATOM 235 C6 DG A 8 -0.265 2.557 0.340 1.00 21.31 C ATOM 236 O6 DG A 8 -0.458 1.778 1.272 1.00 64.44 O ATOM 237 N1 DG A 8 0.975 2.562 -0.220 1.00 2.51 N ATOM 238 C2 DG A 8 1.216 3.406 -1.247 1.00 30.32 C ATOM 239 N2 DG A 8 2.468 3.292 -1.686 1.00 74.21 N ATOM 240 N3 DG A 8 0.385 4.290 -1.834 1.00 25.00 N ATOM 241 C4 DG A 8 -0.834 4.237 -1.229 1.00 21.05 C ATOM 0 H5' DG A 8 -2.520 8.093 -0.089 1.00 72.43 H new ATOM 0 H5'' DG A 8 -2.365 9.695 -0.783 1.00 72.43 H new ATOM 0 H4' DG A 8 -2.899 8.990 -2.920 1.00 32.43 H new ATOM 0 H3' DG A 8 -4.473 6.773 -1.598 1.00 52.20 H new ATOM 0 H2' DG A 8 -3.911 5.145 -3.243 1.00 65.42 H new ATOM 0 H2'' DG A 8 -3.289 6.341 -4.363 1.00 65.42 H new ATOM 0 H1' DG A 8 -1.213 5.703 -3.324 1.00 1.00 H new ATOM 0 H8 DG A 8 -3.906 5.050 -0.730 1.00 3.42 H new ATOM 0 H1 DG A 8 1.707 1.942 0.128 1.00 2.51 H new ATOM 0 H21 DG A 8 2.791 3.871 -2.461 1.00 74.21 H new ATOM 0 H22 DG A 8 3.104 2.626 -1.247 1.00 74.21 H new ATOM 253 P DT A 9 -6.506 7.181 -3.310 1.00 0.32 P ATOM 254 OP1 DT A 9 -7.188 7.632 -4.544 1.00 15.40 O ATOM 255 OP2 DT A 9 -7.211 7.387 -2.026 1.00 74.50 O ATOM 256 O5' DT A 9 -6.198 5.618 -3.460 1.00 63.53 O ATOM 257 C5' DT A 9 -6.395 4.969 -4.714 1.00 11.32 C ATOM 258 C4' DT A 9 -5.366 3.875 -4.901 1.00 62.52 C ATOM 259 O4' DT A 9 -5.105 3.179 -3.699 1.00 64.14 O ATOM 260 C3' DT A 9 -5.840 2.702 -5.754 1.00 72.45 C ATOM 261 O3' DT A 9 -4.714 2.071 -6.358 1.00 32.25 O ATOM 262 C2' DT A 9 -6.544 1.779 -4.800 1.00 42.34 C ATOM 263 C1' DT A 9 -5.630 1.876 -3.582 1.00 63.21 C ATOM 264 N1 DT A 9 -6.336 1.698 -2.297 1.00 54.54 N ATOM 265 C2 DT A 9 -5.747 0.869 -1.394 1.00 14.42 C ATOM 266 O2 DT A 9 -4.693 0.285 -1.595 1.00 20.33 O ATOM 267 N3 DT A 9 -6.404 0.699 -0.195 1.00 74.51 N ATOM 268 C4 DT A 9 -7.590 1.318 0.113 1.00 41.02 C ATOM 269 O4 DT A 9 -8.089 1.095 1.215 1.00 42.12 O ATOM 270 C5 DT A 9 -8.162 2.174 -0.866 1.00 25.32 C ATOM 271 C7 DT A 9 -9.467 2.880 -0.582 1.00 53.24 C ATOM 272 C6 DT A 9 -7.508 2.322 -2.020 1.00 62.23 C ATOM 0 H5' DT A 9 -6.317 5.694 -5.524 1.00 11.32 H new ATOM 0 H5'' DT A 9 -7.399 4.547 -4.760 1.00 11.32 H new ATOM 0 H4' DT A 9 -4.533 4.432 -5.330 1.00 62.52 H new ATOM 0 H3' DT A 9 -6.504 3.005 -6.563 1.00 72.45 H new ATOM 0 H2' DT A 9 -7.560 2.107 -4.581 1.00 42.34 H new ATOM 0 H2'' DT A 9 -6.613 0.762 -5.185 1.00 42.34 H new ATOM 0 H1' DT A 9 -4.879 1.087 -3.570 1.00 63.21 H new ATOM 0 H3 DT A 9 -5.987 0.080 0.501 1.00 74.51 H new ATOM 0 H71 DT A 9 -9.493 3.827 -1.121 1.00 53.24 H new ATOM 0 H72 DT A 9 -10.298 2.254 -0.908 1.00 53.24 H new ATOM 0 H73 DT A 9 -9.553 3.069 0.488 1.00 53.24 H new ATOM 0 H6 DT A 9 -7.933 2.971 -2.771 1.00 62.23 H new ATOM 285 P DG A 10 -4.044 2.711 -7.664 1.00 4.45 P ATOM 286 OP1 DG A 10 -4.252 4.176 -7.663 1.00 64.13 O ATOM 287 OP2 DG A 10 -4.475 1.959 -8.864 1.00 31.52 O ATOM 288 O5' DG A 10 -2.484 2.431 -7.440 1.00 74.14 O ATOM 289 C5' DG A 10 -1.698 3.350 -6.684 1.00 5.14 C ATOM 290 C4' DG A 10 -0.227 3.067 -6.891 1.00 40.15 C ATOM 291 O4' DG A 10 0.416 2.653 -5.735 1.00 61.43 O ATOM 292 C3' DG A 10 0.064 1.818 -7.721 1.00 63.02 C ATOM 293 O3' DG A 10 1.384 1.902 -8.253 1.00 13.34 O ATOM 294 C2' DG A 10 -0.074 0.665 -6.764 1.00 22.43 C ATOM 295 C1' DG A 10 0.540 1.268 -5.504 1.00 11.34 C ATOM 296 N9 DG A 10 -0.156 0.869 -4.262 1.00 65.22 N ATOM 297 C8 DG A 10 -1.456 1.055 -3.957 1.00 4.50 C ATOM 298 N7 DG A 10 -1.773 0.580 -2.755 1.00 61.11 N ATOM 299 C5 DG A 10 -0.595 0.066 -2.284 1.00 50.20 C ATOM 300 C6 DG A 10 -0.276 -0.577 -1.068 1.00 5.21 C ATOM 301 O6 DG A 10 -1.064 -0.800 -0.153 1.00 52.10 O ATOM 302 N1 DG A 10 1.012 -0.983 -0.894 1.00 62.33 N ATOM 303 C2 DG A 10 1.902 -0.748 -1.885 1.00 1.14 C ATOM 304 N2 DG A 10 3.112 -1.200 -1.565 1.00 4.23 N ATOM 305 N3 DG A 10 1.710 -0.150 -3.075 1.00 53.22 N ATOM 306 C4 DG A 10 0.406 0.230 -3.187 1.00 34.44 C ATOM 0 H5' DG A 10 -1.947 3.269 -5.626 1.00 5.14 H new ATOM 0 H5'' DG A 10 -1.926 4.372 -6.988 1.00 5.14 H new ATOM 0 H4' DG A 10 0.097 4.012 -7.326 1.00 40.15 H new ATOM 0 H3' DG A 10 -0.612 1.702 -8.568 1.00 63.02 H new ATOM 0 H2' DG A 10 -1.113 0.371 -6.618 1.00 22.43 H new ATOM 0 H2'' DG A 10 0.463 -0.221 -7.103 1.00 22.43 H new ATOM 0 H1' DG A 10 1.564 0.930 -5.345 1.00 11.34 H new ATOM 0 H8 DG A 10 -2.163 1.537 -4.616 1.00 4.50 H new ATOM 0 H1 DG A 10 1.299 -1.454 -0.036 1.00 62.33 H new ATOM 0 H21 DG A 10 3.887 -1.092 -2.220 1.00 4.23 H new ATOM 0 H22 DG A 10 3.265 -1.655 -0.665 1.00 4.23 H new ATOM 318 P DC A 11 1.706 1.279 -9.693 1.00 73.21 P ATOM 319 OP1 DC A 11 2.984 1.828 -10.198 1.00 41.34 O ATOM 320 OP2 DC A 11 0.516 1.402 -10.566 1.00 52.02 O ATOM 321 O5' DC A 11 1.925 -0.272 -9.372 1.00 11.43 O ATOM 322 C5' DC A 11 2.929 -0.674 -8.444 1.00 62.11 C ATOM 323 C4' DC A 11 2.613 -2.048 -7.897 1.00 63.54 C ATOM 324 O4' DC A 11 1.784 -1.997 -6.727 1.00 64.43 O ATOM 325 C3' DC A 11 1.862 -2.953 -8.868 1.00 51.50 C ATOM 326 O3' DC A 11 2.673 -4.082 -9.187 1.00 12.22 O ATOM 327 C2' DC A 11 0.610 -3.361 -8.142 1.00 14.51 C ATOM 328 C1' DC A 11 1.058 -3.205 -6.691 1.00 31.44 C ATOM 329 N1 DC A 11 -0.063 -3.127 -5.733 1.00 13.15 N ATOM 330 C2 DC A 11 -0.012 -3.949 -4.608 1.00 71.24 C ATOM 331 O2 DC A 11 0.961 -4.696 -4.464 1.00 12.20 O ATOM 332 N3 DC A 11 -1.021 -3.894 -3.720 1.00 42.13 N ATOM 333 C4 DC A 11 -2.052 -3.090 -3.888 1.00 43.32 C ATOM 334 N4 DC A 11 -3.040 -3.053 -3.002 1.00 44.14 N ATOM 335 C5 DC A 11 -2.129 -2.231 -5.047 1.00 53.32 C ATOM 336 C6 DC A 11 -1.116 -2.296 -5.921 1.00 34.33 C ATOM 0 H5' DC A 11 2.989 0.046 -7.628 1.00 62.11 H new ATOM 0 H5'' DC A 11 3.903 -0.684 -8.933 1.00 62.11 H new ATOM 0 H4' DC A 11 3.604 -2.451 -7.687 1.00 63.54 H new ATOM 0 H3' DC A 11 1.622 -2.459 -9.810 1.00 51.50 H new ATOM 0 H2' DC A 11 -0.237 -2.719 -8.385 1.00 14.51 H new ATOM 0 H2'' DC A 11 0.312 -4.383 -8.375 1.00 14.51 H new ATOM 0 H1' DC A 11 1.630 -4.065 -6.343 1.00 31.44 H new ATOM 0 H41 DC A 11 -3.831 -2.425 -3.146 1.00 44.14 H new ATOM 0 H42 DC A 11 -3.008 -3.652 -2.177 1.00 44.14 H new ATOM 0 H5 DC A 11 -2.966 -1.566 -5.202 1.00 53.32 H new ATOM 0 H6 DC A 11 -1.139 -1.669 -6.800 1.00 34.33 H new ATOM 348 P DC A 12 2.481 -4.836 -10.586 1.00 20.31 P ATOM 349 OP1 DC A 12 3.588 -4.478 -11.500 1.00 53.15 O ATOM 350 OP2 DC A 12 1.098 -4.635 -11.075 1.00 22.21 O ATOM 351 O5' DC A 12 2.644 -6.377 -10.189 1.00 4.10 O ATOM 352 C5' DC A 12 3.660 -6.774 -9.269 1.00 73.43 C ATOM 353 C4' DC A 12 3.262 -8.059 -8.579 1.00 22.33 C ATOM 354 O4' DC A 12 2.325 -7.783 -7.561 1.00 2.32 O ATOM 355 C3' DC A 12 2.516 -9.048 -9.469 1.00 31.24 C ATOM 356 O3' DC A 12 2.954 -10.382 -9.166 1.00 33.34 O ATOM 357 C2' DC A 12 1.062 -8.856 -9.144 1.00 31.33 C ATOM 358 C1' DC A 12 1.142 -8.547 -7.652 1.00 43.20 C ATOM 359 N1 DC A 12 -0.021 -7.792 -7.142 1.00 34.42 N ATOM 360 C2 DC A 12 -0.567 -8.185 -5.921 1.00 4.14 C ATOM 361 O2 DC A 12 -0.055 -9.141 -5.327 1.00 60.31 O ATOM 362 N3 DC A 12 -1.625 -7.512 -5.437 1.00 43.45 N ATOM 363 C4 DC A 12 -2.157 -6.496 -6.084 1.00 14.14 C ATOM 364 N4 DC A 12 -3.204 -5.846 -5.591 1.00 64.35 N ATOM 365 C5 DC A 12 -1.611 -6.067 -7.352 1.00 74.34 C ATOM 366 C6 DC A 12 -0.557 -6.747 -7.822 1.00 45.02 C ATOM 0 H5' DC A 12 3.819 -5.989 -8.530 1.00 73.43 H new ATOM 0 H5'' DC A 12 4.604 -6.912 -9.795 1.00 73.43 H new ATOM 0 H4' DC A 12 4.208 -8.481 -8.241 1.00 22.33 H new ATOM 0 H3' DC A 12 2.699 -8.888 -10.532 1.00 31.24 H new ATOM 0 H2' DC A 12 0.616 -8.040 -9.712 1.00 31.33 H new ATOM 0 H2'' DC A 12 0.471 -9.748 -9.350 1.00 31.33 H new ATOM 0 HO3' DC A 12 2.475 -11.021 -9.735 1.00 33.34 H new ATOM 0 H1' DC A 12 1.143 -9.453 -7.046 1.00 43.20 H new ATOM 0 H41 DC A 12 -3.605 -5.061 -6.104 1.00 64.35 H new ATOM 0 H42 DC A 12 -3.608 -6.132 -4.699 1.00 64.35 H new ATOM 0 H5 DC A 12 -2.034 -5.235 -7.896 1.00 74.34 H new ATOM 0 H6 DC A 12 -0.122 -6.456 -8.767 1.00 45.02 H new TER 379 DC A 12