USER MOD reduce.3.24.130724 H: found=0, std=0, add=241, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 241 hydrogens (18 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 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.53! (180deg=-7.01!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.892 -4.976 -9.171 1.00 0.00 O ATOM 2 C5' DG A 1 3.357 -3.749 -8.675 1.00 0.00 C ATOM 3 C4' DG A 1 2.038 -3.391 -9.361 1.00 0.00 C ATOM 4 O4' DG A 1 1.027 -4.344 -9.002 1.00 0.00 O ATOM 5 C3' DG A 1 1.489 -2.027 -8.989 1.00 0.00 C ATOM 6 O3' DG A 1 2.008 -1.033 -9.878 1.00 0.00 O ATOM 7 C2' DG A 1 -0.009 -2.186 -9.204 1.00 0.00 C ATOM 8 C1' DG A 1 -0.244 -3.674 -8.947 1.00 0.00 C ATOM 9 N9 DG A 1 -0.849 -3.953 -7.631 1.00 0.00 N ATOM 10 C8 DG A 1 -2.156 -3.839 -7.246 1.00 0.00 C ATOM 11 N7 DG A 1 -2.395 -4.131 -6.004 1.00 0.00 N ATOM 12 C5 DG A 1 -1.137 -4.471 -5.508 1.00 0.00 C ATOM 13 C6 DG A 1 -0.754 -4.882 -4.202 1.00 0.00 C ATOM 14 O6 DG A 1 -1.463 -5.023 -3.207 1.00 0.00 O ATOM 15 N1 DG A 1 0.611 -5.131 -4.126 1.00 0.00 N ATOM 16 C2 DG A 1 1.498 -5.003 -5.174 1.00 0.00 C ATOM 17 N2 DG A 1 2.772 -5.292 -4.904 1.00 0.00 N ATOM 18 N3 DG A 1 1.144 -4.614 -6.404 1.00 0.00 N ATOM 19 C4 DG A 1 -0.184 -4.367 -6.498 1.00 0.00 C ATOM 0 H5' DG A 1 4.079 -2.947 -8.832 1.00 0.00 H new ATOM 0 H5'' DG A 1 3.198 -3.829 -7.600 1.00 0.00 H new ATOM 0 H4' DG A 1 2.268 -3.392 -10.426 1.00 0.00 H new ATOM 0 H3' DG A 1 1.750 -1.717 -7.977 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.582 -1.564 -8.517 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.303 -1.901 -10.214 1.00 0.00 H new ATOM 0 HO5' DG A 1 4.735 -5.174 -8.713 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.940 -4.027 -9.708 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.934 -3.528 -7.927 1.00 0.00 H new ATOM 0 H1 DG A 1 0.986 -5.431 -3.226 1.00 0.00 H new ATOM 0 H21 DG A 1 3.478 -5.217 -5.636 1.00 0.00 H new ATOM 0 H22 DG A 1 3.040 -5.588 -3.965 1.00 0.00 H new ATOM 32 P DG A 2 2.243 0.473 -9.358 1.00 0.00 P ATOM 33 OP1 DG A 2 2.761 1.280 -10.486 1.00 0.00 O ATOM 34 OP2 DG A 2 3.002 0.407 -8.089 1.00 0.00 O ATOM 35 O5' DG A 2 0.745 0.966 -9.026 1.00 0.00 O ATOM 36 C5' DG A 2 -0.212 1.127 -10.077 1.00 0.00 C ATOM 37 C4' DG A 2 -1.636 1.252 -9.534 1.00 0.00 C ATOM 38 O4' DG A 2 -2.011 0.066 -8.834 1.00 0.00 O ATOM 39 C3' DG A 2 -1.834 2.410 -8.565 1.00 0.00 C ATOM 40 O3' DG A 2 -2.225 3.586 -9.274 1.00 0.00 O ATOM 41 C2' DG A 2 -2.974 1.928 -7.687 1.00 0.00 C ATOM 42 C1' DG A 2 -2.713 0.425 -7.633 1.00 0.00 C ATOM 43 N9 DG A 2 -1.880 0.012 -6.487 1.00 0.00 N ATOM 44 C8 DG A 2 -0.520 -0.076 -6.399 1.00 0.00 C ATOM 45 N7 DG A 2 -0.063 -0.441 -5.237 1.00 0.00 N ATOM 46 C5 DG A 2 -1.221 -0.614 -4.480 1.00 0.00 C ATOM 47 C6 DG A 2 -1.372 -1.010 -3.121 1.00 0.00 C ATOM 48 O6 DG A 2 -0.495 -1.283 -2.304 1.00 0.00 O ATOM 49 N1 DG A 2 -2.711 -1.062 -2.752 1.00 0.00 N ATOM 50 C2 DG A 2 -3.774 -0.770 -3.581 1.00 0.00 C ATOM 51 N2 DG A 2 -4.990 -0.881 -3.045 1.00 0.00 N ATOM 52 N3 DG A 2 -3.636 -0.396 -4.857 1.00 0.00 N ATOM 53 C4 DG A 2 -2.339 -0.341 -5.238 1.00 0.00 C ATOM 0 H5' DG A 2 -0.155 0.275 -10.754 1.00 0.00 H new ATOM 0 H5'' DG A 2 0.034 2.015 -10.660 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.252 1.426 -10.416 1.00 0.00 H new ATOM 0 H3' DG A 2 -0.933 2.666 -8.007 1.00 0.00 H new ATOM 0 H2' DG A 2 -2.948 2.383 -6.697 1.00 0.00 H new ATOM 0 H2'' DG A 2 -3.948 2.159 -8.119 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.677 -0.072 -7.529 1.00 0.00 H new ATOM 0 H8 DG A 2 0.129 0.142 -7.234 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.924 -1.338 -1.793 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.816 -0.678 -3.608 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.094 -1.169 -2.072 1.00 0.00 H new ATOM 65 P DG A 3 -2.145 5.023 -8.553 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.202 6.069 -9.597 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.017 4.995 -7.594 1.00 0.00 O ATOM 68 O5' DG A 3 -3.521 5.067 -7.718 1.00 0.00 O ATOM 69 C5' DG A 3 -4.777 4.946 -8.390 1.00 0.00 C ATOM 70 C4' DG A 3 -5.943 4.916 -7.406 1.00 0.00 C ATOM 71 O4' DG A 3 -5.641 3.980 -6.357 1.00 0.00 O ATOM 72 C3' DG A 3 -6.227 6.263 -6.747 1.00 0.00 C ATOM 73 O3' DG A 3 -7.641 6.467 -6.681 1.00 0.00 O ATOM 74 C2' DG A 3 -5.661 6.146 -5.338 1.00 0.00 C ATOM 75 C1' DG A 3 -5.611 4.643 -5.091 1.00 0.00 C ATOM 76 N9 DG A 3 -4.394 4.193 -4.384 1.00 0.00 N ATOM 77 C8 DG A 3 -3.106 4.135 -4.838 1.00 0.00 C ATOM 78 N7 DG A 3 -2.237 3.702 -3.976 1.00 0.00 N ATOM 79 C5 DG A 3 -3.008 3.448 -2.844 1.00 0.00 C ATOM 80 C6 DG A 3 -2.617 2.955 -1.570 1.00 0.00 C ATOM 81 O6 DG A 3 -1.491 2.643 -1.186 1.00 0.00 O ATOM 82 N1 DG A 3 -3.703 2.842 -0.714 1.00 0.00 N ATOM 83 C2 DG A 3 -5.006 3.162 -1.038 1.00 0.00 C ATOM 84 N2 DG A 3 -5.914 2.983 -0.080 1.00 0.00 N ATOM 85 N3 DG A 3 -5.377 3.628 -2.236 1.00 0.00 N ATOM 86 C4 DG A 3 -4.331 3.744 -3.086 1.00 0.00 C ATOM 0 H5' DG A 3 -4.783 4.035 -8.989 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.903 5.781 -9.079 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.824 4.635 -7.983 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.788 7.095 -7.297 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.671 6.597 -5.266 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.295 6.651 -4.609 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.466 4.401 -4.459 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.831 4.428 -5.841 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.525 2.495 0.229 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.894 3.202 -0.259 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.629 2.627 0.833 1.00 0.00 H new ATOM 98 P DG A 4 -8.383 7.401 -7.764 1.00 0.00 P ATOM 99 OP1 DG A 4 -7.562 8.616 -7.964 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.804 7.526 -7.371 1.00 0.00 O ATOM 101 O5' DG A 4 -8.308 6.513 -9.104 1.00 0.00 O ATOM 102 C5' DG A 4 -9.392 6.518 -10.037 1.00 0.00 C ATOM 103 C4' DG A 4 -8.976 5.934 -11.384 1.00 0.00 C ATOM 104 O4' DG A 4 -8.005 6.791 -11.984 1.00 0.00 O ATOM 105 C3' DG A 4 -8.364 4.544 -11.285 1.00 0.00 C ATOM 106 O3' DG A 4 -8.774 3.764 -12.414 1.00 0.00 O ATOM 107 C2' DG A 4 -6.862 4.782 -11.339 1.00 0.00 C ATOM 108 C1' DG A 4 -6.721 6.154 -11.993 1.00 0.00 C ATOM 109 N9 DG A 4 -5.778 7.050 -11.301 1.00 0.00 N ATOM 110 C8 DG A 4 -6.020 7.949 -10.302 1.00 0.00 C ATOM 111 N7 DG A 4 -4.980 8.607 -9.886 1.00 0.00 N ATOM 112 C5 DG A 4 -3.949 8.104 -10.677 1.00 0.00 C ATOM 113 C6 DG A 4 -2.568 8.436 -10.690 1.00 0.00 C ATOM 114 O6 DG A 4 -1.974 9.255 -9.992 1.00 0.00 O ATOM 115 N1 DG A 4 -1.875 7.697 -11.640 1.00 0.00 N ATOM 116 C2 DG A 4 -2.439 6.754 -12.475 1.00 0.00 C ATOM 117 N2 DG A 4 -1.612 6.144 -13.326 1.00 0.00 N ATOM 118 N3 DG A 4 -3.737 6.439 -12.466 1.00 0.00 N ATOM 119 C4 DG A 4 -4.429 7.149 -11.546 1.00 0.00 C ATOM 0 H5' DG A 4 -9.748 7.539 -10.177 1.00 0.00 H new ATOM 0 H5'' DG A 4 -10.224 5.943 -9.632 1.00 0.00 H new ATOM 0 H4' DG A 4 -9.887 5.855 -11.977 1.00 0.00 H new ATOM 0 H3' DG A 4 -8.667 4.011 -10.383 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.421 4.769 -10.342 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.358 4.010 -11.921 1.00 0.00 H new ATOM 0 H1' DG A 4 -6.334 5.983 -12.998 1.00 0.00 H new ATOM 0 H8 DG A 4 -7.005 8.102 -9.887 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.873 7.864 -11.727 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.971 5.437 -13.968 1.00 0.00 H new ATOM 0 H22 DG A 4 -0.621 6.384 -13.334 1.00 0.00 H new ATOM 131 P DC A 5 -9.798 2.534 -12.229 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.136 2.008 -13.572 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.878 2.966 -11.315 1.00 0.00 O ATOM 134 O5' DC A 5 -8.901 1.434 -11.467 1.00 0.00 O ATOM 135 C5' DC A 5 -7.711 0.927 -12.074 1.00 0.00 C ATOM 136 C4' DC A 5 -6.987 -0.070 -11.164 1.00 0.00 C ATOM 137 O4' DC A 5 -6.587 0.515 -9.939 1.00 0.00 O ATOM 138 C3' DC A 5 -7.830 -1.289 -10.781 1.00 0.00 C ATOM 139 O3' DC A 5 -7.495 -2.375 -11.656 1.00 0.00 O ATOM 140 C2' DC A 5 -7.410 -1.635 -9.363 1.00 0.00 C ATOM 141 C1' DC A 5 -6.364 -0.581 -9.047 1.00 0.00 C ATOM 142 N1 DC A 5 -6.405 -0.067 -7.664 1.00 0.00 N ATOM 143 C2 DC A 5 -5.975 -0.919 -6.659 1.00 0.00 C ATOM 144 O2 DC A 5 -5.588 -2.051 -6.938 1.00 0.00 O ATOM 145 N3 DC A 5 -5.976 -0.460 -5.377 1.00 0.00 N ATOM 146 C4 DC A 5 -6.384 0.785 -5.092 1.00 0.00 C ATOM 147 N4 DC A 5 -6.369 1.205 -3.824 1.00 0.00 N ATOM 148 C5 DC A 5 -6.830 1.667 -6.127 1.00 0.00 C ATOM 149 C6 DC A 5 -6.825 1.202 -7.393 1.00 0.00 C ATOM 0 H5' DC A 5 -7.043 1.755 -12.310 1.00 0.00 H new ATOM 0 H5'' DC A 5 -7.963 0.442 -13.017 1.00 0.00 H new ATOM 0 H4' DC A 5 -6.132 -0.379 -11.766 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.901 -1.099 -10.855 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.251 -1.589 -8.671 1.00 0.00 H new ATOM 0 H2'' DC A 5 -6.999 -2.643 -9.299 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.388 -1.051 -9.165 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.677 2.150 -3.596 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.049 0.580 -3.084 1.00 0.00 H new ATOM 0 H5 DC A 5 -7.159 2.671 -5.902 1.00 0.00 H new ATOM 0 H6 DC A 5 -7.156 1.840 -8.199 1.00 0.00 H new ATOM 161 P DG A 6 -8.570 -3.532 -11.985 1.00 0.00 P ATOM 162 OP1 DG A 6 -8.011 -4.391 -13.053 1.00 0.00 O ATOM 163 OP2 DG A 6 -9.892 -2.893 -12.169 1.00 0.00 O ATOM 164 O5' DG A 6 -8.606 -4.389 -10.617 1.00 0.00 O ATOM 165 C5' DG A 6 -9.686 -5.295 -10.360 1.00 0.00 C ATOM 166 C4' DG A 6 -9.593 -5.934 -8.973 1.00 0.00 C ATOM 167 O4' DG A 6 -8.424 -6.734 -8.851 1.00 0.00 O ATOM 168 C3' DG A 6 -9.523 -4.949 -7.822 1.00 0.00 C ATOM 169 O3' DG A 6 -10.844 -4.553 -7.442 1.00 0.00 O ATOM 170 C2' DG A 6 -8.889 -5.770 -6.706 1.00 0.00 C ATOM 171 C1' DG A 6 -8.097 -6.842 -7.458 1.00 0.00 C ATOM 172 N9 DG A 6 -6.642 -6.694 -7.316 1.00 0.00 N ATOM 173 C8 DG A 6 -5.769 -5.994 -8.095 1.00 0.00 C ATOM 174 N7 DG A 6 -4.531 -6.029 -7.701 1.00 0.00 N ATOM 175 C5 DG A 6 -4.584 -6.822 -6.556 1.00 0.00 C ATOM 176 C6 DG A 6 -3.543 -7.225 -5.679 1.00 0.00 C ATOM 177 O6 DG A 6 -2.347 -6.952 -5.741 1.00 0.00 O ATOM 178 N1 DG A 6 -4.024 -8.021 -4.648 1.00 0.00 N ATOM 179 C2 DG A 6 -5.343 -8.387 -4.477 1.00 0.00 C ATOM 180 N2 DG A 6 -5.609 -9.155 -3.421 1.00 0.00 N ATOM 181 N3 DG A 6 -6.326 -8.011 -5.301 1.00 0.00 N ATOM 182 C4 DG A 6 -5.874 -7.234 -6.314 1.00 0.00 C ATOM 0 H5' DG A 6 -9.688 -6.078 -11.118 1.00 0.00 H new ATOM 0 H5'' DG A 6 -10.633 -4.762 -10.449 1.00 0.00 H new ATOM 0 H4' DG A 6 -10.516 -6.510 -8.902 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.971 -4.040 -8.061 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.241 -5.160 -6.077 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.643 -6.211 -6.054 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.367 -7.810 -7.035 1.00 0.00 H new ATOM 0 H8 DG A 6 -6.083 -5.451 -8.974 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.349 -8.362 -3.963 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.566 -9.459 -3.240 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.856 -9.439 -2.794 1.00 0.00 H new ATOM 194 P DG A 7 -11.115 -3.089 -6.825 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.577 -2.850 -6.844 1.00 0.00 O ATOM 196 OP2 DG A 7 -10.201 -2.129 -7.481 1.00 0.00 O ATOM 197 O5' DG A 7 -10.650 -3.260 -5.290 1.00 0.00 O ATOM 198 C5' DG A 7 -11.363 -4.148 -4.429 1.00 0.00 C ATOM 199 C4' DG A 7 -10.919 -4.035 -2.968 1.00 0.00 C ATOM 200 O4' DG A 7 -9.630 -4.626 -2.718 1.00 0.00 O ATOM 201 C3' DG A 7 -10.825 -2.605 -2.422 1.00 0.00 C ATOM 202 O3' DG A 7 -12.015 -2.303 -1.683 1.00 0.00 O ATOM 203 C2' DG A 7 -9.623 -2.656 -1.467 1.00 0.00 C ATOM 204 C1' DG A 7 -9.339 -4.151 -1.412 1.00 0.00 C ATOM 205 N9 DG A 7 -7.960 -4.538 -1.022 1.00 0.00 N ATOM 206 C8 DG A 7 -7.542 -4.982 0.198 1.00 0.00 C ATOM 207 N7 DG A 7 -6.274 -5.227 0.299 1.00 0.00 N ATOM 208 C5 DG A 7 -5.785 -4.925 -0.966 1.00 0.00 C ATOM 209 C6 DG A 7 -4.452 -5.002 -1.454 1.00 0.00 C ATOM 210 O6 DG A 7 -3.440 -5.347 -0.850 1.00 0.00 O ATOM 211 N1 DG A 7 -4.372 -4.615 -2.781 1.00 0.00 N ATOM 212 C2 DG A 7 -5.442 -4.203 -3.552 1.00 0.00 C ATOM 213 N2 DG A 7 -5.159 -3.875 -4.811 1.00 0.00 N ATOM 214 N3 DG A 7 -6.706 -4.125 -3.096 1.00 0.00 N ATOM 215 C4 DG A 7 -6.804 -4.501 -1.795 1.00 0.00 C ATOM 0 H5' DG A 7 -11.219 -5.173 -4.770 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.430 -3.936 -4.498 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.719 -4.573 -2.459 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.716 -1.851 -3.202 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.772 -2.091 -1.848 1.00 0.00 H new ATOM 0 H2'' DG A 7 -9.862 -2.248 -0.485 1.00 0.00 H new ATOM 0 H1' DG A 7 -9.950 -4.591 -0.624 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.223 -5.120 1.025 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.453 -4.636 -3.223 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.902 -3.562 -5.436 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.199 -3.937 -5.151 1.00 0.00 H new ATOM 227 P DG A 8 -12.307 -0.810 -1.157 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.728 -0.739 -0.750 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.776 0.143 -2.154 1.00 0.00 O ATOM 230 O5' DG A 8 -11.397 -0.717 0.170 1.00 0.00 O ATOM 231 C5' DG A 8 -11.652 -1.581 1.280 1.00 0.00 C ATOM 232 C4' DG A 8 -10.490 -1.604 2.266 1.00 0.00 C ATOM 233 O4' DG A 8 -9.306 -2.082 1.654 1.00 0.00 O ATOM 234 C3' DG A 8 -10.133 -0.242 2.844 1.00 0.00 C ATOM 235 O3' DG A 8 -10.830 -0.042 4.076 1.00 0.00 O ATOM 236 C2' DG A 8 -8.631 -0.334 3.116 1.00 0.00 C ATOM 237 C1' DG A 8 -8.215 -1.659 2.470 1.00 0.00 C ATOM 238 N9 DG A 8 -7.013 -1.571 1.621 1.00 0.00 N ATOM 239 C8 DG A 8 -6.904 -1.215 0.306 1.00 0.00 C ATOM 240 N7 DG A 8 -5.692 -1.219 -0.167 1.00 0.00 N ATOM 241 C5 DG A 8 -4.924 -1.616 0.927 1.00 0.00 C ATOM 242 C6 DG A 8 -3.518 -1.808 1.034 1.00 0.00 C ATOM 243 O6 DG A 8 -2.659 -1.657 0.167 1.00 0.00 O ATOM 244 N1 DG A 8 -3.156 -2.212 2.313 1.00 0.00 N ATOM 245 C2 DG A 8 -4.032 -2.409 3.361 1.00 0.00 C ATOM 246 N2 DG A 8 -3.496 -2.804 4.515 1.00 0.00 N ATOM 247 N3 DG A 8 -5.351 -2.227 3.263 1.00 0.00 N ATOM 248 C4 DG A 8 -5.725 -1.833 2.024 1.00 0.00 C ATOM 0 H5' DG A 8 -11.839 -2.592 0.917 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.556 -1.254 1.793 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.842 -2.257 3.064 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.395 0.580 2.178 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.094 0.508 2.679 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.418 -0.328 4.185 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.970 -2.354 3.273 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.761 -0.950 -0.296 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.165 -2.376 2.491 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.093 -2.966 5.326 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.488 -2.944 4.588 1.00 0.00 H new ATOM 260 P DG A 9 -10.747 1.377 4.831 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.841 1.437 5.827 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.625 2.435 3.804 1.00 0.00 O ATOM 263 O5' DG A 9 -9.347 1.276 5.623 1.00 0.00 O ATOM 264 C5' DG A 9 -9.102 0.206 6.540 1.00 0.00 C ATOM 265 C4' DG A 9 -7.626 0.122 6.939 1.00 0.00 C ATOM 266 O4' DG A 9 -6.801 0.147 5.756 1.00 0.00 O ATOM 267 C3' DG A 9 -7.143 1.293 7.814 1.00 0.00 C ATOM 268 O3' DG A 9 -6.212 0.814 8.794 1.00 0.00 O ATOM 269 C2' DG A 9 -6.388 2.160 6.825 1.00 0.00 C ATOM 270 C1' DG A 9 -5.745 1.064 6.016 1.00 0.00 C ATOM 271 N9 DG A 9 -5.122 1.477 4.749 1.00 0.00 N ATOM 272 C8 DG A 9 -5.687 1.950 3.599 1.00 0.00 C ATOM 273 N7 DG A 9 -4.841 2.239 2.653 1.00 0.00 N ATOM 274 C5 DG A 9 -3.605 1.931 3.226 1.00 0.00 C ATOM 275 C6 DG A 9 -2.291 2.032 2.688 1.00 0.00 C ATOM 276 O6 DG A 9 -1.950 2.429 1.576 1.00 0.00 O ATOM 277 N1 DG A 9 -1.332 1.615 3.606 1.00 0.00 N ATOM 278 C2 DG A 9 -1.601 1.156 4.880 1.00 0.00 C ATOM 279 N2 DG A 9 -0.552 0.794 5.618 1.00 0.00 N ATOM 280 N3 DG A 9 -2.830 1.062 5.383 1.00 0.00 N ATOM 281 C4 DG A 9 -3.776 1.465 4.506 1.00 0.00 C ATOM 0 H5' DG A 9 -9.410 -0.737 6.088 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.712 0.346 7.433 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.539 -0.803 7.508 1.00 0.00 H new ATOM 0 H3' DG A 9 -7.953 1.802 8.336 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.045 2.795 6.231 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.660 2.815 7.305 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.909 0.656 6.584 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.754 2.075 3.483 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.355 1.651 3.315 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.691 0.447 6.567 1.00 0.00 H new ATOM 0 H22 DG A 9 0.390 0.864 5.234 1.00 0.00 H new ATOM 293 P DC A 10 -6.706 0.156 10.176 1.00 0.00 P ATOM 294 OP1 DC A 10 -7.964 0.819 10.583 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.554 0.119 11.107 1.00 0.00 O ATOM 296 O5' DC A 10 -7.044 -1.355 9.738 1.00 0.00 O ATOM 297 C5' DC A 10 -5.990 -2.278 9.454 1.00 0.00 C ATOM 298 C4' DC A 10 -6.523 -3.696 9.287 1.00 0.00 C ATOM 299 O4' DC A 10 -7.098 -4.133 10.521 1.00 0.00 O ATOM 300 C3' DC A 10 -7.598 -3.816 8.219 1.00 0.00 C ATOM 301 O3' DC A 10 -7.531 -5.110 7.614 1.00 0.00 O ATOM 302 C2' DC A 10 -8.894 -3.678 9.000 1.00 0.00 C ATOM 303 C1' DC A 10 -8.525 -4.184 10.393 1.00 0.00 C ATOM 304 N1 DC A 10 -9.096 -3.390 11.498 1.00 0.00 N ATOM 305 C2 DC A 10 -10.356 -3.744 11.956 1.00 0.00 C ATOM 306 O2 DC A 10 -10.958 -4.681 11.436 1.00 0.00 O ATOM 307 N3 DC A 10 -10.891 -3.033 12.987 1.00 0.00 N ATOM 308 C4 DC A 10 -10.220 -2.017 13.545 1.00 0.00 C ATOM 309 N4 DC A 10 -10.774 -1.343 14.555 1.00 0.00 N ATOM 310 C5 DC A 10 -8.921 -1.647 13.074 1.00 0.00 C ATOM 311 C6 DC A 10 -8.399 -2.356 12.054 1.00 0.00 C ATOM 0 H5' DC A 10 -5.257 -2.256 10.261 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.472 -1.973 8.545 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.673 -4.307 8.985 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.499 -3.078 7.423 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.239 -2.644 9.027 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.695 -4.270 8.557 1.00 0.00 H new ATOM 0 H1' DC A 10 -8.933 -5.191 10.475 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.272 -0.568 14.987 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.700 -1.603 14.895 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.377 -0.828 13.521 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.420 -2.104 11.673 1.00 0.00 H new ATOM 323 P DG A 11 -6.706 -5.326 6.250 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.568 -4.015 5.577 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.301 -6.471 5.525 1.00 0.00 O ATOM 326 O5' DG A 11 -5.253 -5.769 6.784 1.00 0.00 O ATOM 327 C5' DG A 11 -5.111 -6.942 7.585 1.00 0.00 C ATOM 328 C4' DG A 11 -3.650 -7.340 7.770 1.00 0.00 C ATOM 329 O4' DG A 11 -3.080 -7.818 6.544 1.00 0.00 O ATOM 330 C3' DG A 11 -2.743 -6.213 8.238 1.00 0.00 C ATOM 331 O3' DG A 11 -2.730 -6.167 9.670 1.00 0.00 O ATOM 332 C2' DG A 11 -1.364 -6.620 7.724 1.00 0.00 C ATOM 333 C1' DG A 11 -1.661 -7.704 6.682 1.00 0.00 C ATOM 334 N9 DG A 11 -1.087 -7.421 5.353 1.00 0.00 N ATOM 335 C8 DG A 11 0.205 -7.565 4.940 1.00 0.00 C ATOM 336 N7 DG A 11 0.435 -7.223 3.709 1.00 0.00 N ATOM 337 C5 DG A 11 -0.815 -6.812 3.254 1.00 0.00 C ATOM 338 C6 DG A 11 -1.201 -6.325 1.977 1.00 0.00 C ATOM 339 O6 DG A 11 -0.500 -6.159 0.982 1.00 0.00 O ATOM 340 N1 DG A 11 -2.554 -6.021 1.935 1.00 0.00 N ATOM 341 C2 DG A 11 -3.432 -6.168 2.988 1.00 0.00 C ATOM 342 N2 DG A 11 -4.698 -5.818 2.752 1.00 0.00 N ATOM 343 N3 DG A 11 -3.075 -6.628 4.193 1.00 0.00 N ATOM 344 C4 DG A 11 -1.756 -6.929 4.254 1.00 0.00 C ATOM 0 H5' DG A 11 -5.654 -7.765 7.120 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.566 -6.771 8.561 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.692 -8.110 8.540 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.060 -5.233 7.881 1.00 0.00 H new ATOM 0 H2' DG A 11 -0.838 -5.774 7.281 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.735 -7.001 8.528 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.201 -8.625 7.039 1.00 0.00 H new ATOM 0 H8 DG A 11 0.982 -7.937 5.591 1.00 0.00 H new ATOM 0 H1 DG A 11 -2.928 -5.661 1.057 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.397 -5.903 3.490 1.00 0.00 H new ATOM 0 H22 DG A 11 -4.967 -5.465 1.833 1.00 0.00 H new ATOM 356 P DG A 12 -2.555 -4.762 10.437 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.621 -5.016 11.894 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.474 -3.784 9.815 1.00 0.00 O ATOM 359 O5' DG A 12 -1.045 -4.346 10.066 1.00 0.00 O ATOM 360 C5' DG A 12 0.055 -5.131 10.532 1.00 0.00 C ATOM 361 C4' DG A 12 1.324 -4.860 9.728 1.00 0.00 C ATOM 362 O4' DG A 12 1.108 -5.123 8.352 1.00 0.00 O ATOM 363 C3' DG A 12 1.812 -3.420 9.802 1.00 0.00 C ATOM 364 O3' DG A 12 2.728 -3.280 10.891 1.00 0.00 O ATOM 365 C2' DG A 12 2.543 -3.205 8.481 1.00 0.00 C ATOM 366 C1' DG A 12 1.958 -4.282 7.561 1.00 0.00 C ATOM 367 N9 DG A 12 1.149 -3.748 6.449 1.00 0.00 N ATOM 368 C8 DG A 12 -0.183 -3.447 6.419 1.00 0.00 C ATOM 369 N7 DG A 12 -0.618 -2.983 5.285 1.00 0.00 N ATOM 370 C5 DG A 12 0.524 -2.973 4.487 1.00 0.00 C ATOM 371 C6 DG A 12 0.684 -2.566 3.134 1.00 0.00 C ATOM 372 O6 DG A 12 -0.165 -2.122 2.365 1.00 0.00 O ATOM 373 N1 DG A 12 1.999 -2.717 2.711 1.00 0.00 N ATOM 374 C2 DG A 12 3.032 -3.199 3.487 1.00 0.00 C ATOM 375 N2 DG A 12 4.227 -3.275 2.901 1.00 0.00 N ATOM 376 N3 DG A 12 2.884 -3.580 4.760 1.00 0.00 N ATOM 377 C4 DG A 12 1.610 -3.441 5.192 1.00 0.00 C ATOM 0 H5' DG A 12 -0.199 -6.189 10.465 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.238 -4.913 11.584 1.00 0.00 H new ATOM 0 H4' DG A 12 2.071 -5.517 10.174 1.00 0.00 H new ATOM 0 H3' DG A 12 1.004 -2.705 9.957 1.00 0.00 H new ATOM 0 H2' DG A 12 2.370 -2.204 8.086 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.621 -3.320 8.597 1.00 0.00 H new ATOM 0 H1' DG A 12 2.801 -4.813 7.119 1.00 0.00 H new ATOM 0 H8 DG A 12 -0.828 -3.584 7.275 1.00 0.00 H new ATOM 0 H1 DG A 12 2.217 -2.450 1.751 1.00 0.00 H new ATOM 0 H21 DG A 12 5.030 -3.624 3.424 1.00 0.00 H new ATOM 0 H22 DG A 12 4.338 -2.984 1.930 1.00 0.00 H new ATOM 389 P DG A 13 3.061 -1.825 11.491 1.00 0.00 P ATOM 390 OP1 DG A 13 3.766 -2.006 12.781 1.00 0.00 O ATOM 391 OP2 DG A 13 1.830 -1.006 11.432 1.00 0.00 O ATOM 392 O5' DG A 13 4.111 -1.238 10.420 1.00 0.00 O ATOM 393 C5' DG A 13 5.364 -1.895 10.209 1.00 0.00 C ATOM 394 C4' DG A 13 6.105 -1.338 8.996 1.00 0.00 C ATOM 395 O4' DG A 13 5.309 -1.444 7.834 1.00 0.00 O ATOM 396 C3' DG A 13 6.480 0.133 9.111 1.00 0.00 C ATOM 397 O3' DG A 13 7.799 0.249 9.647 1.00 0.00 O ATOM 398 C2' DG A 13 6.466 0.638 7.668 1.00 0.00 C ATOM 399 C1' DG A 13 5.702 -0.442 6.895 1.00 0.00 C ATOM 400 N9 DG A 13 4.489 0.047 6.214 1.00 0.00 N ATOM 401 C8 DG A 13 3.224 0.195 6.704 1.00 0.00 C ATOM 402 N7 DG A 13 2.354 0.659 5.856 1.00 0.00 N ATOM 403 C5 DG A 13 3.106 0.837 4.696 1.00 0.00 C ATOM 404 C6 DG A 13 2.710 1.323 3.419 1.00 0.00 C ATOM 405 O6 DG A 13 1.598 1.702 3.057 1.00 0.00 O ATOM 406 N1 DG A 13 3.778 1.342 2.530 1.00 0.00 N ATOM 407 C2 DG A 13 5.065 0.946 2.827 1.00 0.00 C ATOM 408 N2 DG A 13 5.954 1.032 1.839 1.00 0.00 N ATOM 409 N3 DG A 13 5.440 0.492 4.027 1.00 0.00 N ATOM 410 C4 DG A 13 4.414 0.464 4.908 1.00 0.00 C ATOM 0 H5' DG A 13 5.195 -2.963 10.071 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.986 -1.783 11.097 1.00 0.00 H new ATOM 0 H4' DG A 13 7.015 -1.935 8.942 1.00 0.00 H new ATOM 0 H3' DG A 13 5.807 0.692 9.760 1.00 0.00 H new ATOM 0 H2' DG A 13 5.972 1.607 7.591 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.477 0.764 7.281 1.00 0.00 H new ATOM 0 H1' DG A 13 6.368 -0.814 6.117 1.00 0.00 H new ATOM 0 H8 DG A 13 2.964 -0.055 7.722 1.00 0.00 H new ATOM 0 H1 DG A 13 3.596 1.675 1.583 1.00 0.00 H new ATOM 0 H21 DG A 13 6.922 0.753 1.998 1.00 0.00 H new ATOM 0 H22 DG A 13 5.667 1.376 0.923 1.00 0.00 H new ATOM 422 P DG A 14 8.230 1.563 10.467 1.00 0.00 P ATOM 423 OP1 DG A 14 9.546 1.311 11.093 1.00 0.00 O ATOM 424 OP2 DG A 14 7.082 1.980 11.304 1.00 0.00 O ATOM 425 O5' DG A 14 8.429 2.656 9.300 1.00 0.00 O ATOM 426 C5' DG A 14 9.354 2.421 8.232 1.00 0.00 C ATOM 427 C4' DG A 14 8.914 3.105 6.941 1.00 0.00 C ATOM 428 O4' DG A 14 7.483 3.024 6.836 1.00 0.00 O ATOM 429 C3' DG A 14 9.296 4.581 6.869 1.00 0.00 C ATOM 430 O3' DG A 14 9.836 4.857 5.574 1.00 0.00 O ATOM 431 C2' DG A 14 7.998 5.361 7.048 1.00 0.00 C ATOM 432 C1' DG A 14 6.893 4.318 6.963 1.00 0.00 C ATOM 433 N9 DG A 14 6.012 4.288 8.141 1.00 0.00 N ATOM 434 C8 DG A 14 6.330 4.063 9.449 1.00 0.00 C ATOM 435 N7 DG A 14 5.328 4.094 10.273 1.00 0.00 N ATOM 436 C5 DG A 14 4.242 4.364 9.443 1.00 0.00 C ATOM 437 C6 DG A 14 2.867 4.518 9.763 1.00 0.00 C ATOM 438 O6 DG A 14 2.328 4.449 10.866 1.00 0.00 O ATOM 439 N1 DG A 14 2.107 4.779 8.630 1.00 0.00 N ATOM 440 C2 DG A 14 2.605 4.881 7.348 1.00 0.00 C ATOM 441 N2 DG A 14 1.717 5.131 6.386 1.00 0.00 N ATOM 442 N3 DG A 14 3.898 4.741 7.044 1.00 0.00 N ATOM 443 C4 DG A 14 4.655 4.484 8.134 1.00 0.00 C ATOM 0 H5' DG A 14 9.448 1.348 8.062 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.340 2.785 8.519 1.00 0.00 H new ATOM 0 H4' DG A 14 9.425 2.588 6.129 1.00 0.00 H new ATOM 0 H3' DG A 14 10.034 4.849 7.625 1.00 0.00 H new ATOM 0 H2' DG A 14 7.978 5.879 8.007 1.00 0.00 H new ATOM 0 H2'' DG A 14 7.884 6.120 6.274 1.00 0.00 H new ATOM 0 H1' DG A 14 6.285 4.589 6.100 1.00 0.00 H new ATOM 0 H8 DG A 14 7.342 3.873 9.775 1.00 0.00 H new ATOM 0 H1 DG A 14 1.103 4.905 8.756 1.00 0.00 H new ATOM 0 H21 DG A 14 2.025 5.217 5.417 1.00 0.00 H new ATOM 0 H22 DG A 14 0.729 5.236 6.618 1.00 0.00 H new ATOM 455 P DC A 15 11.427 4.950 5.345 1.00 0.00 P ATOM 456 OP1 DC A 15 12.013 5.731 6.456 1.00 0.00 O ATOM 457 OP2 DC A 15 11.668 5.362 3.945 1.00 0.00 O ATOM 458 O5' DC A 15 11.891 3.417 5.504 1.00 0.00 O ATOM 459 C5' DC A 15 12.753 2.822 4.531 1.00 0.00 C ATOM 460 C4' DC A 15 13.405 1.550 5.063 1.00 0.00 C ATOM 461 O4' DC A 15 14.251 1.881 6.169 1.00 0.00 O ATOM 462 C3' DC A 15 12.409 0.506 5.548 1.00 0.00 C ATOM 463 O3' DC A 15 12.930 -0.802 5.302 1.00 0.00 O ATOM 464 C2' DC A 15 12.340 0.749 7.044 1.00 0.00 C ATOM 465 C1' DC A 15 13.727 1.295 7.368 1.00 0.00 C ATOM 466 N1 DC A 15 13.739 2.331 8.418 1.00 0.00 N ATOM 467 C2 DC A 15 13.843 1.902 9.730 1.00 0.00 C ATOM 468 O2 DC A 15 13.908 0.701 9.980 1.00 0.00 O ATOM 469 N3 DC A 15 13.866 2.837 10.717 1.00 0.00 N ATOM 470 C4 DC A 15 13.791 4.143 10.428 1.00 0.00 C ATOM 471 N4 DC A 15 13.817 5.032 11.421 1.00 0.00 N ATOM 472 C5 DC A 15 13.683 4.593 9.074 1.00 0.00 C ATOM 473 C6 DC A 15 13.661 3.657 8.104 1.00 0.00 C ATOM 0 H5' DC A 15 13.526 3.535 4.244 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.183 2.591 3.631 1.00 0.00 H new ATOM 0 H4' DC A 15 13.958 1.123 4.226 1.00 0.00 H new ATOM 0 H3' DC A 15 11.439 0.575 5.055 1.00 0.00 H new ATOM 0 H2' DC A 15 11.556 1.461 7.301 1.00 0.00 H new ATOM 0 H2'' DC A 15 12.129 -0.169 7.593 1.00 0.00 H new ATOM 0 H1' DC A 15 14.321 0.460 7.741 1.00 0.00 H new ATOM 0 H41 DC A 15 13.761 6.029 11.214 1.00 0.00 H new ATOM 0 H42 DC A 15 13.893 4.715 12.387 1.00 0.00 H new ATOM 0 H5 DC A 15 13.621 5.645 8.838 1.00 0.00 H new ATOM 0 H6 DC A 15 13.581 3.959 7.070 1.00 0.00 H new ATOM 485 P DG A 16 12.506 -1.618 3.982 1.00 0.00 P ATOM 486 OP1 DG A 16 13.094 -2.973 4.070 1.00 0.00 O ATOM 487 OP2 DG A 16 12.786 -0.767 2.803 1.00 0.00 O ATOM 488 O5' DG A 16 10.909 -1.750 4.147 1.00 0.00 O ATOM 489 C5' DG A 16 10.343 -2.339 5.323 1.00 0.00 C ATOM 490 C4' DG A 16 8.818 -2.282 5.307 1.00 0.00 C ATOM 491 O4' DG A 16 8.426 -0.911 5.232 1.00 0.00 O ATOM 492 C3' DG A 16 8.194 -3.018 4.128 1.00 0.00 C ATOM 493 O3' DG A 16 7.057 -3.762 4.584 1.00 0.00 O ATOM 494 C2' DG A 16 7.737 -1.929 3.164 1.00 0.00 C ATOM 495 C1' DG A 16 7.904 -0.621 3.934 1.00 0.00 C ATOM 496 N9 DG A 16 8.826 0.332 3.290 1.00 0.00 N ATOM 497 C8 DG A 16 10.015 0.088 2.666 1.00 0.00 C ATOM 498 N7 DG A 16 10.606 1.136 2.175 1.00 0.00 N ATOM 499 C5 DG A 16 9.737 2.174 2.501 1.00 0.00 C ATOM 500 C6 DG A 16 9.839 3.566 2.230 1.00 0.00 C ATOM 501 O6 DG A 16 10.733 4.164 1.635 1.00 0.00 O ATOM 502 N1 DG A 16 8.750 4.264 2.735 1.00 0.00 N ATOM 503 C2 DG A 16 7.691 3.697 3.415 1.00 0.00 C ATOM 504 N2 DG A 16 6.740 4.534 3.831 1.00 0.00 N ATOM 505 N3 DG A 16 7.589 2.389 3.668 1.00 0.00 N ATOM 506 C4 DG A 16 8.643 1.691 3.186 1.00 0.00 C ATOM 0 H5' DG A 16 10.717 -1.820 6.206 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.667 -3.377 5.402 1.00 0.00 H new ATOM 0 H4' DG A 16 8.467 -2.772 6.215 1.00 0.00 H new ATOM 0 H3' DG A 16 8.892 -3.711 3.658 1.00 0.00 H new ATOM 0 H2' DG A 16 8.337 -1.930 2.254 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.700 -2.079 2.862 1.00 0.00 H new ATOM 0 H1' DG A 16 6.918 -0.159 3.971 1.00 0.00 H new ATOM 0 H8 DG A 16 10.434 -0.904 2.586 1.00 0.00 H new ATOM 0 H1 DG A 16 8.731 5.274 2.592 1.00 0.00 H new ATOM 0 H21 DG A 16 5.932 4.175 4.339 1.00 0.00 H new ATOM 0 H22 DG A 16 6.821 5.533 3.641 1.00 0.00 H new ATOM 518 P DG A 17 7.147 -5.357 4.792 1.00 0.00 P ATOM 519 OP1 DG A 17 5.886 -5.814 5.417 1.00 0.00 O ATOM 520 OP2 DG A 17 8.447 -5.670 5.433 1.00 0.00 O ATOM 521 O5' DG A 17 7.178 -5.904 3.275 1.00 0.00 O ATOM 522 C5' DG A 17 8.030 -6.993 2.917 1.00 0.00 C ATOM 523 C4' DG A 17 8.372 -6.975 1.428 1.00 0.00 C ATOM 524 O4' DG A 17 7.275 -7.478 0.645 1.00 0.00 O ATOM 525 C3' DG A 17 8.711 -5.593 0.875 1.00 0.00 C ATOM 526 O3' DG A 17 10.136 -5.425 0.858 1.00 0.00 O ATOM 527 C2' DG A 17 8.176 -5.596 -0.559 1.00 0.00 C ATOM 528 C1' DG A 17 7.369 -6.893 -0.653 1.00 0.00 C ATOM 529 N9 DG A 17 6.000 -6.698 -1.153 1.00 0.00 N ATOM 530 C8 DG A 17 5.589 -6.495 -2.434 1.00 0.00 C ATOM 531 N7 DG A 17 4.308 -6.345 -2.587 1.00 0.00 N ATOM 532 C5 DG A 17 3.817 -6.459 -1.287 1.00 0.00 C ATOM 533 C6 DG A 17 2.481 -6.382 -0.809 1.00 0.00 C ATOM 534 O6 DG A 17 1.451 -6.197 -1.453 1.00 0.00 O ATOM 535 N1 DG A 17 2.421 -6.548 0.568 1.00 0.00 N ATOM 536 C2 DG A 17 3.511 -6.760 1.388 1.00 0.00 C ATOM 537 N2 DG A 17 3.252 -6.887 2.688 1.00 0.00 N ATOM 538 N3 DG A 17 4.770 -6.835 0.941 1.00 0.00 N ATOM 539 C4 DG A 17 4.848 -6.675 -0.401 1.00 0.00 C ATOM 0 H5' DG A 17 7.542 -7.935 3.167 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.948 -6.945 3.502 1.00 0.00 H new ATOM 0 H4' DG A 17 9.258 -7.605 1.349 1.00 0.00 H new ATOM 0 H3' DG A 17 8.282 -4.788 1.472 1.00 0.00 H new ATOM 0 H2' DG A 17 7.552 -4.723 -0.754 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.987 -5.577 -1.287 1.00 0.00 H new ATOM 0 H1' DG A 17 7.896 -7.533 -1.361 1.00 0.00 H new ATOM 0 H8 DG A 17 6.279 -6.461 -3.264 1.00 0.00 H new ATOM 0 H1 DG A 17 1.501 -6.510 1.007 1.00 0.00 H new ATOM 0 H21 DG A 17 4.014 -7.045 3.347 1.00 0.00 H new ATOM 0 H22 DG A 17 2.291 -6.826 3.025 1.00 0.00 H new ATOM 551 P DG A 18 10.796 -4.027 1.307 1.00 0.00 P ATOM 552 OP1 DG A 18 12.267 -4.144 1.169 1.00 0.00 O ATOM 553 OP2 DG A 18 10.206 -3.640 2.609 1.00 0.00 O ATOM 554 O5' DG A 18 10.261 -3.014 0.172 1.00 0.00 O ATOM 555 C5' DG A 18 10.720 -3.143 -1.178 1.00 0.00 C ATOM 556 C4' DG A 18 9.776 -2.471 -2.172 1.00 0.00 C ATOM 557 O4' DG A 18 8.497 -3.074 -2.100 1.00 0.00 O ATOM 558 C3' DG A 18 9.561 -0.997 -1.921 1.00 0.00 C ATOM 559 O3' DG A 18 10.565 -0.241 -2.598 1.00 0.00 O ATOM 560 C2' DG A 18 8.199 -0.740 -2.556 1.00 0.00 C ATOM 561 C1' DG A 18 7.534 -2.117 -2.569 1.00 0.00 C ATOM 562 N9 DG A 18 6.338 -2.198 -1.708 1.00 0.00 N ATOM 563 C8 DG A 18 6.248 -2.495 -0.378 1.00 0.00 C ATOM 564 N7 DG A 18 5.044 -2.457 0.115 1.00 0.00 N ATOM 565 C5 DG A 18 4.260 -2.104 -0.982 1.00 0.00 C ATOM 566 C6 DG A 18 2.853 -1.906 -1.073 1.00 0.00 C ATOM 567 O6 DG A 18 2.010 -2.002 -0.184 1.00 0.00 O ATOM 568 N1 DG A 18 2.471 -1.562 -2.364 1.00 0.00 N ATOM 569 C2 DG A 18 3.332 -1.424 -3.434 1.00 0.00 C ATOM 570 N2 DG A 18 2.780 -1.095 -4.601 1.00 0.00 N ATOM 571 N3 DG A 18 4.652 -1.609 -3.351 1.00 0.00 N ATOM 572 C4 DG A 18 5.045 -1.945 -2.101 1.00 0.00 C ATOM 0 H5' DG A 18 10.817 -4.199 -1.428 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.713 -2.702 -1.267 1.00 0.00 H new ATOM 0 H4' DG A 18 10.254 -2.594 -3.144 1.00 0.00 H new ATOM 0 H3' DG A 18 9.609 -0.720 -0.868 1.00 0.00 H new ATOM 0 H2' DG A 18 7.618 -0.021 -1.978 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.298 -0.334 -3.563 1.00 0.00 H new ATOM 0 H1' DG A 18 7.206 -2.316 -3.589 1.00 0.00 H new ATOM 0 H8 DG A 18 7.112 -2.743 0.221 1.00 0.00 H new ATOM 0 H1 DG A 18 1.479 -1.399 -2.534 1.00 0.00 H new ATOM 0 H21 DG A 18 3.366 -0.979 -5.428 1.00 0.00 H new ATOM 0 H22 DG A 18 1.771 -0.959 -4.668 1.00 0.00 H new ATOM 584 P DG A 19 10.834 1.289 -2.188 1.00 0.00 P ATOM 585 OP1 DG A 19 12.089 1.730 -2.837 1.00 0.00 O ATOM 586 OP2 DG A 19 10.686 1.400 -0.719 1.00 0.00 O ATOM 587 O5' DG A 19 9.601 2.059 -2.887 1.00 0.00 O ATOM 588 C5' DG A 19 9.505 2.120 -4.315 1.00 0.00 C ATOM 589 C4' DG A 19 8.177 2.715 -4.781 1.00 0.00 C ATOM 590 O4' DG A 19 7.087 1.938 -4.301 1.00 0.00 O ATOM 591 C3' DG A 19 7.922 4.127 -4.298 1.00 0.00 C ATOM 592 O3' DG A 19 8.515 5.072 -5.194 1.00 0.00 O ATOM 593 C2' DG A 19 6.404 4.232 -4.365 1.00 0.00 C ATOM 594 C1' DG A 19 5.928 2.786 -4.226 1.00 0.00 C ATOM 595 N9 DG A 19 5.238 2.514 -2.952 1.00 0.00 N ATOM 596 C8 DG A 19 5.760 2.129 -1.751 1.00 0.00 C ATOM 597 N7 DG A 19 4.895 1.997 -0.789 1.00 0.00 N ATOM 598 C5 DG A 19 3.685 2.321 -1.402 1.00 0.00 C ATOM 599 C6 DG A 19 2.371 2.358 -0.861 1.00 0.00 C ATOM 600 O6 DG A 19 2.011 2.111 0.288 1.00 0.00 O ATOM 601 N1 DG A 19 1.437 2.731 -1.818 1.00 0.00 N ATOM 602 C2 DG A 19 1.728 3.033 -3.134 1.00 0.00 C ATOM 603 N2 DG A 19 0.697 3.365 -3.908 1.00 0.00 N ATOM 604 N3 DG A 19 2.962 3.001 -3.644 1.00 0.00 N ATOM 605 C4 DG A 19 3.887 2.638 -2.726 1.00 0.00 C ATOM 0 H5' DG A 19 9.616 1.117 -4.728 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.327 2.719 -4.707 1.00 0.00 H new ATOM 0 H4' DG A 19 8.251 2.719 -5.868 1.00 0.00 H new ATOM 0 H3' DG A 19 8.335 4.330 -3.310 1.00 0.00 H new ATOM 0 H2' DG A 19 6.011 4.860 -3.565 1.00 0.00 H new ATOM 0 H2'' DG A 19 6.075 4.672 -5.307 1.00 0.00 H new ATOM 0 H1' DG A 19 5.210 2.596 -5.024 1.00 0.00 H new ATOM 0 H8 DG A 19 6.815 1.947 -1.610 1.00 0.00 H new ATOM 0 H1 DG A 19 0.461 2.786 -1.527 1.00 0.00 H new ATOM 0 H21 DG A 19 0.850 3.598 -4.889 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.246 3.386 -3.520 1.00 0.00 H new ATOM 617 P DT A 20 9.030 6.491 -4.637 1.00 0.00 P ATOM 618 OP1 DT A 20 9.656 7.236 -5.753 1.00 0.00 O ATOM 619 OP2 DT A 20 9.793 6.243 -3.394 1.00 0.00 O ATOM 620 O5' DT A 20 7.657 7.230 -4.245 1.00 0.00 O ATOM 621 C5' DT A 20 6.705 7.556 -5.258 1.00 0.00 C ATOM 622 C4' DT A 20 5.372 8.014 -4.666 1.00 0.00 C ATOM 623 O4' DT A 20 4.903 7.049 -3.708 1.00 0.00 O ATOM 624 C3' DT A 20 5.439 9.342 -3.925 1.00 0.00 C ATOM 625 O3' DT A 20 5.280 10.462 -4.806 1.00 0.00 O ATOM 626 C2' DT A 20 4.269 9.209 -2.964 1.00 0.00 C ATOM 627 C1' DT A 20 4.391 7.749 -2.563 1.00 0.00 C ATOM 628 N1 DT A 20 5.326 7.530 -1.452 1.00 0.00 N ATOM 629 C2 DT A 20 4.825 7.638 -0.171 1.00 0.00 C ATOM 630 O2 DT A 20 3.636 7.862 0.049 1.00 0.00 O ATOM 631 N3 DT A 20 5.739 7.475 0.850 1.00 0.00 N ATOM 632 C4 DT A 20 7.090 7.216 0.701 1.00 0.00 C ATOM 633 O4 DT A 20 7.818 7.097 1.682 1.00 0.00 O ATOM 634 C5 DT A 20 7.521 7.117 -0.678 1.00 0.00 C ATOM 635 C7 DT A 20 8.987 6.844 -0.991 1.00 0.00 C ATOM 636 C6 DT A 20 6.647 7.271 -1.690 1.00 0.00 C ATOM 0 H5' DT A 20 6.540 6.686 -5.893 1.00 0.00 H new ATOM 0 H5'' DT A 20 7.108 8.343 -5.895 1.00 0.00 H new ATOM 0 H4' DT A 20 4.710 8.124 -5.525 1.00 0.00 H new ATOM 0 H3' DT A 20 6.397 9.527 -3.439 1.00 0.00 H new ATOM 0 H2' DT A 20 4.358 9.880 -2.110 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.315 9.427 -3.443 1.00 0.00 H new ATOM 0 HO3' DT A 20 5.328 11.294 -4.290 1.00 0.00 H new ATOM 0 H1' DT A 20 3.411 7.401 -2.236 1.00 0.00 H new ATOM 0 H3 DT A 20 5.386 7.553 1.804 1.00 0.00 H new ATOM 0 H71 DT A 20 9.612 7.263 -0.202 1.00 0.00 H new ATOM 0 H72 DT A 20 9.152 5.768 -1.051 1.00 0.00 H new ATOM 0 H73 DT A 20 9.248 7.305 -1.944 1.00 0.00 H new ATOM 0 H6 DT A 20 6.996 7.188 -2.709 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 0.115 5.725 1.092 1.00 0.00 C HETATM 652 C2 BER A 101 -1.214 5.945 0.747 1.00 0.00 C HETATM 653 N1 BER A 101 0.451 5.632 2.386 1.00 0.00 N HETATM 654 C3 BER A 101 1.076 5.605 0.096 1.00 0.00 C HETATM 655 C4 BER A 101 -2.173 6.114 1.736 1.00 0.00 C HETATM 656 C5 BER A 101 -1.597 6.084 -0.581 1.00 0.00 C HETATM 657 C6 BER A 101 1.783 5.396 2.752 1.00 0.00 C HETATM 658 C7 BER A 101 -0.605 5.403 3.401 1.00 0.00 C HETATM 659 C8 BER A 101 2.402 5.370 0.433 1.00 0.00 C HETATM 660 C9 BER A 101 -3.469 6.425 1.337 1.00 0.00 C HETATM 661 C10 BER A 101 -1.786 6.315 3.056 1.00 0.00 C HETATM 662 C11 BER A 101 -2.850 6.405 -0.897 1.00 0.00 C HETATM 663 C12 BER A 101 2.757 5.250 1.771 1.00 0.00 C HETATM 664 C13 BER A 101 3.337 5.126 -0.568 1.00 0.00 C HETATM 665 C14 BER A 101 -3.770 6.579 0.049 1.00 0.00 C HETATM 666 O1 BER A 101 -3.374 6.633 -2.129 1.00 0.00 O HETATM 667 C15 BER A 101 4.066 4.926 2.115 1.00 0.00 C HETATM 668 C16 BER A 101 4.645 4.800 -0.231 1.00 0.00 C HETATM 669 O2 BER A 101 -4.966 6.918 -0.501 1.00 0.00 O HETATM 670 C17 BER A 101 -4.791 6.708 -1.910 1.00 0.00 C HETATM 671 C18 BER A 101 5.006 4.730 1.108 1.00 0.00 C HETATM 672 O3 BER A 101 4.417 4.764 3.420 1.00 0.00 O HETATM 673 O4 BER A 101 6.297 4.551 1.500 1.00 0.00 O HETATM 674 C19 BER A 101 4.463 6.035 4.071 1.00 0.00 C HETATM 675 C20 BER A 101 7.085 4.147 0.378 1.00 0.00 C HETATM 0 H203 BER A 101 6.695 3.212 -0.023 1.00 0.00 H new HETATM 0 H202 BER A 101 7.043 4.917 -0.392 1.00 0.00 H new HETATM 0 H201 BER A 101 8.119 4.004 0.692 1.00 0.00 H new HETATM 0 H193 BER A 101 5.198 6.670 3.577 1.00 0.00 H new HETATM 0 H192 BER A 101 3.482 6.507 4.018 1.00 0.00 H new HETATM 0 H191 BER A 101 4.744 5.899 5.115 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.231 7.524 -2.483 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.284 5.791 -2.231 1.00 0.00 H new HETATM 0 H161 BER A 101 5.381 4.601 -1.010 1.00 0.00 H new HETATM 0 H131 BER A 101 3.044 5.191 -1.616 1.00 0.00 H new HETATM 0 H102 BER A 101 -1.507 7.358 3.207 1.00 0.00 H new HETATM 0 H101 BER A 101 -2.622 6.109 3.724 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.249 6.544 2.089 1.00 0.00 H new HETATM 0 H72 BER A 101 -0.916 4.358 3.401 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.230 5.624 4.400 1.00 0.00 H new HETATM 0 H61 BER A 101 2.055 5.327 3.805 1.00 0.00 H new HETATM 0 H51 BER A 101 -0.864 5.929 -1.373 1.00 0.00 H new HETATM 0 H31 BER A 101 0.788 5.695 -0.951 1.00 0.00 H new