USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 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 -28:sc= 0.00198 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.259 (180deg=-0.259) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.256 (180deg=-0.256) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.541 12.886 24.415 1.00 0.00 O ATOM 2 C5' DG A 1 5.302 11.512 24.628 1.00 0.00 C ATOM 3 C4' DG A 1 3.968 11.111 23.988 1.00 0.00 C ATOM 4 O4' DG A 1 4.043 11.302 22.580 1.00 0.00 O ATOM 5 C3' DG A 1 3.628 9.638 24.248 1.00 0.00 C ATOM 6 O3' DG A 1 2.224 9.469 24.340 1.00 0.00 O ATOM 7 C2' DG A 1 4.213 9.028 22.985 1.00 0.00 C ATOM 8 C1' DG A 1 3.796 10.063 21.948 1.00 0.00 C ATOM 9 N9 DG A 1 4.556 9.926 20.678 1.00 0.00 N ATOM 10 C8 DG A 1 5.919 9.928 20.472 1.00 0.00 C ATOM 11 N7 DG A 1 6.269 9.814 19.222 1.00 0.00 N ATOM 12 C5 DG A 1 5.063 9.742 18.539 1.00 0.00 C ATOM 13 C6 DG A 1 4.810 9.643 17.137 1.00 0.00 C ATOM 14 O6 DG A 1 5.633 9.592 16.225 1.00 0.00 O ATOM 15 N1 DG A 1 3.449 9.606 16.843 1.00 0.00 N ATOM 16 C2 DG A 1 2.444 9.674 17.792 1.00 0.00 C ATOM 17 N2 DG A 1 1.182 9.618 17.355 1.00 0.00 N ATOM 18 N3 DG A 1 2.682 9.786 19.109 1.00 0.00 N ATOM 19 C4 DG A 1 4.007 9.815 19.419 1.00 0.00 C ATOM 0 H5' DG A 1 5.282 11.299 25.697 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.113 10.922 24.200 1.00 0.00 H new ATOM 0 H4' DG A 1 3.193 11.735 24.433 1.00 0.00 H new ATOM 0 H3' DG A 1 4.008 9.203 25.173 1.00 0.00 H new ATOM 0 H2' DG A 1 5.296 8.915 23.044 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.801 8.042 22.773 1.00 0.00 H new ATOM 0 HO5' DG A 1 5.095 13.172 23.590 1.00 0.00 H new ATOM 0 H1' DG A 1 2.754 9.948 21.651 1.00 0.00 H new ATOM 0 H8 DG A 1 6.634 10.016 21.276 1.00 0.00 H new ATOM 0 H1 DG A 1 3.175 9.523 15.864 1.00 0.00 H new ATOM 0 H21 DG A 1 0.410 9.665 18.020 1.00 0.00 H new ATOM 0 H22 DG A 1 0.991 9.529 16.357 1.00 0.00 H new ATOM 32 P DC A 2 1.537 8.025 24.583 1.00 0.00 P ATOM 33 OP1 DC A 2 0.503 8.181 25.630 1.00 0.00 O ATOM 34 OP2 DC A 2 2.600 7.010 24.751 1.00 0.00 O ATOM 35 O5' DC A 2 0.797 7.749 23.172 1.00 0.00 O ATOM 36 C5' DC A 2 -0.334 8.507 22.791 1.00 0.00 C ATOM 37 C4' DC A 2 -1.094 7.967 21.582 1.00 0.00 C ATOM 38 O4' DC A 2 -0.338 8.090 20.390 1.00 0.00 O ATOM 39 C3' DC A 2 -1.442 6.495 21.808 1.00 0.00 C ATOM 40 O3' DC A 2 -2.756 6.248 21.336 1.00 0.00 O ATOM 41 C2' DC A 2 -0.340 5.837 21.013 1.00 0.00 C ATOM 42 C1' DC A 2 -0.154 6.800 19.843 1.00 0.00 C ATOM 43 N1 DC A 2 1.214 6.689 19.291 1.00 0.00 N ATOM 44 C2 DC A 2 1.423 6.485 17.926 1.00 0.00 C ATOM 45 O2 DC A 2 0.488 6.456 17.129 1.00 0.00 O ATOM 46 N3 DC A 2 2.707 6.319 17.489 1.00 0.00 N ATOM 47 C4 DC A 2 3.740 6.323 18.346 1.00 0.00 C ATOM 48 N4 DC A 2 4.981 6.199 17.867 1.00 0.00 N ATOM 49 C5 DC A 2 3.531 6.553 19.747 1.00 0.00 C ATOM 50 C6 DC A 2 2.271 6.758 20.153 1.00 0.00 C ATOM 0 H5' DC A 2 -0.014 9.526 22.575 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.019 8.561 23.637 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.003 8.558 21.471 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.473 6.135 22.836 1.00 0.00 H new ATOM 0 H2' DC A 2 0.573 5.729 21.598 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.623 4.840 20.676 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.852 6.585 19.034 1.00 0.00 H new ATOM 0 H41 DC A 2 5.777 6.200 18.505 1.00 0.00 H new ATOM 0 H42 DC A 2 5.133 6.103 16.863 1.00 0.00 H new ATOM 0 H5 DC A 2 4.355 6.561 20.445 1.00 0.00 H new ATOM 0 H6 DC A 2 2.086 6.985 21.193 1.00 0.00 H new ATOM 62 P DG A 3 -3.368 4.764 21.155 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.831 4.840 21.364 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.562 3.806 21.945 1.00 0.00 O ATOM 65 O5' DG A 3 -3.092 4.505 19.585 1.00 0.00 O ATOM 66 C5' DG A 3 -3.757 5.289 18.612 1.00 0.00 C ATOM 67 C4' DG A 3 -3.550 4.798 17.189 1.00 0.00 C ATOM 68 O4' DG A 3 -2.187 4.849 16.807 1.00 0.00 O ATOM 69 C3' DG A 3 -4.078 3.367 17.095 1.00 0.00 C ATOM 70 O3' DG A 3 -5.099 3.276 16.117 1.00 0.00 O ATOM 71 C2' DG A 3 -2.800 2.613 16.779 1.00 0.00 C ATOM 72 C1' DG A 3 -1.846 3.634 16.175 1.00 0.00 C ATOM 73 N9 DG A 3 -0.427 3.340 16.475 1.00 0.00 N ATOM 74 C8 DG A 3 0.165 3.198 17.703 1.00 0.00 C ATOM 75 N7 DG A 3 1.466 3.237 17.682 1.00 0.00 N ATOM 76 C5 DG A 3 1.764 3.385 16.334 1.00 0.00 C ATOM 77 C6 DG A 3 3.024 3.544 15.688 1.00 0.00 C ATOM 78 O6 DG A 3 4.123 3.707 16.212 1.00 0.00 O ATOM 79 N1 DG A 3 2.913 3.499 14.301 1.00 0.00 N ATOM 80 C2 DG A 3 1.716 3.417 13.613 1.00 0.00 C ATOM 81 N2 DG A 3 1.770 3.396 12.278 1.00 0.00 N ATOM 82 N3 DG A 3 0.522 3.390 14.224 1.00 0.00 N ATOM 83 C4 DG A 3 0.615 3.366 15.580 1.00 0.00 C ATOM 0 H5' DG A 3 -3.407 6.319 18.686 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.824 5.298 18.833 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.093 5.450 16.505 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.573 2.970 17.981 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.376 2.169 17.680 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.991 1.798 16.081 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.940 3.643 15.089 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.401 3.065 18.613 1.00 0.00 H new ATOM 0 H1 DG A 3 3.774 3.529 13.755 1.00 0.00 H new ATOM 0 H21 DG A 3 0.909 3.336 11.734 1.00 0.00 H new ATOM 0 H22 DG A 3 2.672 3.440 11.803 1.00 0.00 H new ATOM 95 P DT A 4 -5.825 1.876 15.747 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.068 2.179 15.004 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.872 1.023 16.955 1.00 0.00 O ATOM 98 O5' DT A 4 -4.758 1.248 14.716 1.00 0.00 O ATOM 99 C5' DT A 4 -4.393 1.972 13.563 1.00 0.00 C ATOM 100 C4' DT A 4 -3.194 1.394 12.819 1.00 0.00 C ATOM 101 O4' DT A 4 -2.029 1.538 13.602 1.00 0.00 O ATOM 102 C3' DT A 4 -3.344 -0.089 12.446 1.00 0.00 C ATOM 103 O3' DT A 4 -3.379 -0.211 11.036 1.00 0.00 O ATOM 104 C2' DT A 4 -2.111 -0.703 13.106 1.00 0.00 C ATOM 105 C1' DT A 4 -1.168 0.488 13.244 1.00 0.00 C ATOM 106 N1 DT A 4 -0.161 0.241 14.298 1.00 0.00 N ATOM 107 C2 DT A 4 1.196 0.207 13.978 1.00 0.00 C ATOM 108 O2 DT A 4 1.623 0.236 12.826 1.00 0.00 O ATOM 109 N3 DT A 4 2.071 0.138 15.055 1.00 0.00 N ATOM 110 C4 DT A 4 1.710 0.051 16.393 1.00 0.00 C ATOM 111 O4 DT A 4 2.575 0.020 17.264 1.00 0.00 O ATOM 112 C5 DT A 4 0.277 0.005 16.623 1.00 0.00 C ATOM 113 C7 DT A 4 -0.275 -0.148 18.022 1.00 0.00 C ATOM 114 C6 DT A 4 -0.589 0.105 15.590 1.00 0.00 C ATOM 0 H5' DT A 4 -4.169 3.000 13.848 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.245 2.008 12.885 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.126 1.957 11.888 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.257 -0.584 12.779 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.349 -1.144 14.074 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.677 -1.493 12.494 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.599 0.695 12.337 1.00 0.00 H new ATOM 0 H3 DT A 4 3.069 0.153 14.844 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.244 0.347 18.087 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.392 -1.207 18.253 1.00 0.00 H new ATOM 0 H73 DT A 4 0.412 0.306 18.736 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.650 0.077 15.791 1.00 0.00 H new ATOM 127 P DA A 5 -3.488 -1.639 10.293 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.145 -1.432 8.983 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.035 -2.632 11.245 1.00 0.00 O ATOM 130 O5' DA A 5 -1.937 -1.985 10.035 1.00 0.00 O ATOM 131 C5' DA A 5 -1.151 -1.197 9.161 1.00 0.00 C ATOM 132 C4' DA A 5 0.258 -1.779 9.052 1.00 0.00 C ATOM 133 O4' DA A 5 0.937 -1.677 10.293 1.00 0.00 O ATOM 134 C3' DA A 5 0.247 -3.258 8.633 1.00 0.00 C ATOM 135 O3' DA A 5 1.009 -3.381 7.446 1.00 0.00 O ATOM 136 C2' DA A 5 0.838 -3.943 9.870 1.00 0.00 C ATOM 137 C1' DA A 5 1.722 -2.839 10.460 1.00 0.00 C ATOM 138 N9 DA A 5 2.003 -3.040 11.898 1.00 0.00 N ATOM 139 C8 DA A 5 1.075 -3.256 12.874 1.00 0.00 C ATOM 140 N7 DA A 5 1.517 -3.139 14.092 1.00 0.00 N ATOM 141 C5 DA A 5 2.869 -2.874 13.911 1.00 0.00 C ATOM 142 C6 DA A 5 3.923 -2.643 14.817 1.00 0.00 C ATOM 143 N6 DA A 5 3.725 -2.541 16.135 1.00 0.00 N ATOM 144 N1 DA A 5 5.168 -2.493 14.330 1.00 0.00 N ATOM 145 C2 DA A 5 5.352 -2.541 13.012 1.00 0.00 C ATOM 146 N3 DA A 5 4.439 -2.694 12.053 1.00 0.00 N ATOM 147 C4 DA A 5 3.192 -2.862 12.575 1.00 0.00 C ATOM 0 H5' DA A 5 -1.102 -0.172 9.528 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.615 -1.161 8.175 1.00 0.00 H new ATOM 0 H4' DA A 5 0.771 -1.199 8.285 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.717 -3.701 8.383 1.00 0.00 H new ATOM 0 H2' DA A 5 0.064 -4.261 10.568 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.415 -4.830 9.608 1.00 0.00 H new ATOM 0 H1' DA A 5 2.697 -2.804 9.975 1.00 0.00 H new ATOM 0 H8 DA A 5 0.048 -3.506 12.652 1.00 0.00 H new ATOM 0 H61 DA A 5 4.515 -2.373 16.758 1.00 0.00 H new ATOM 0 H62 DA A 5 2.784 -2.631 16.518 1.00 0.00 H new ATOM 0 H2 DA A 5 6.374 -2.443 12.676 1.00 0.00 H new ATOM 159 P DC A 6 1.290 -4.795 6.726 1.00 0.00 P ATOM 160 OP1 DC A 6 1.641 -4.536 5.312 1.00 0.00 O ATOM 161 OP2 DC A 6 0.194 -5.731 7.059 1.00 0.00 O ATOM 162 O5' DC A 6 2.618 -5.264 7.500 1.00 0.00 O ATOM 163 C5' DC A 6 3.790 -4.474 7.472 1.00 0.00 C ATOM 164 C4' DC A 6 4.826 -5.049 8.434 1.00 0.00 C ATOM 165 O4' DC A 6 4.337 -4.897 9.748 1.00 0.00 O ATOM 166 C3' DC A 6 5.176 -6.527 8.254 1.00 0.00 C ATOM 167 O3' DC A 6 6.383 -6.702 7.530 1.00 0.00 O ATOM 168 C2' DC A 6 5.237 -7.040 9.691 1.00 0.00 C ATOM 169 C1' DC A 6 5.056 -5.799 10.546 1.00 0.00 C ATOM 170 N1 DC A 6 4.334 -6.078 11.813 1.00 0.00 N ATOM 171 C2 DC A 6 5.005 -5.908 13.021 1.00 0.00 C ATOM 172 O2 DC A 6 6.221 -5.738 13.063 1.00 0.00 O ATOM 173 N3 DC A 6 4.282 -5.932 14.173 1.00 0.00 N ATOM 174 C4 DC A 6 2.960 -6.150 14.165 1.00 0.00 C ATOM 175 N4 DC A 6 2.304 -6.098 15.328 1.00 0.00 N ATOM 176 C5 DC A 6 2.255 -6.387 12.935 1.00 0.00 C ATOM 177 C6 DC A 6 2.987 -6.346 11.797 1.00 0.00 C ATOM 0 H5' DC A 6 3.554 -3.447 7.750 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.196 -4.446 6.461 1.00 0.00 H new ATOM 0 H4' DC A 6 5.741 -4.496 8.223 1.00 0.00 H new ATOM 0 H3' DC A 6 4.453 -7.081 7.655 1.00 0.00 H new ATOM 0 H2' DC A 6 4.454 -7.773 9.884 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.189 -7.529 9.898 1.00 0.00 H new ATOM 0 H1' DC A 6 6.023 -5.401 10.853 1.00 0.00 H new ATOM 0 H41 DC A 6 1.297 -6.260 15.353 1.00 0.00 H new ATOM 0 H42 DC A 6 2.810 -5.897 16.190 1.00 0.00 H new ATOM 0 H5 DC A 6 1.194 -6.588 12.919 1.00 0.00 H new ATOM 0 H6 DC A 6 2.499 -6.529 10.851 1.00 0.00 H new ATOM 189 P DG A 7 7.009 -8.168 7.237 1.00 0.00 P ATOM 190 OP1 DG A 7 7.970 -8.041 6.119 1.00 0.00 O ATOM 191 OP2 DG A 7 5.902 -9.146 7.149 1.00 0.00 O ATOM 192 O5' DG A 7 7.844 -8.471 8.586 1.00 0.00 O ATOM 193 C5' DG A 7 8.942 -7.659 8.952 1.00 0.00 C ATOM 194 C4' DG A 7 9.566 -8.056 10.291 1.00 0.00 C ATOM 195 O4' DG A 7 8.671 -7.790 11.360 1.00 0.00 O ATOM 196 C3' DG A 7 9.938 -9.545 10.323 1.00 0.00 C ATOM 197 O3' DG A 7 11.269 -9.704 10.783 1.00 0.00 O ATOM 198 C2' DG A 7 8.882 -10.081 11.279 1.00 0.00 C ATOM 199 C1' DG A 7 8.690 -8.906 12.225 1.00 0.00 C ATOM 200 N9 DG A 7 7.419 -9.008 12.975 1.00 0.00 N ATOM 201 C8 DG A 7 6.183 -9.342 12.489 1.00 0.00 C ATOM 202 N7 DG A 7 5.214 -9.217 13.350 1.00 0.00 N ATOM 203 C5 DG A 7 5.860 -8.813 14.514 1.00 0.00 C ATOM 204 C6 DG A 7 5.329 -8.554 15.813 1.00 0.00 C ATOM 205 O6 DG A 7 4.151 -8.535 16.155 1.00 0.00 O ATOM 206 N1 DG A 7 6.323 -8.302 16.754 1.00 0.00 N ATOM 207 C2 DG A 7 7.676 -8.276 16.471 1.00 0.00 C ATOM 208 N2 DG A 7 8.510 -8.055 17.492 1.00 0.00 N ATOM 209 N3 DG A 7 8.173 -8.464 15.238 1.00 0.00 N ATOM 210 C4 DG A 7 7.218 -8.734 14.308 1.00 0.00 C ATOM 0 H5' DG A 7 8.616 -6.620 9.004 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.703 -7.715 8.173 1.00 0.00 H new ATOM 0 H4' DG A 7 10.472 -7.461 10.406 1.00 0.00 H new ATOM 0 H3' DG A 7 9.935 -10.065 9.365 1.00 0.00 H new ATOM 0 H2' DG A 7 7.959 -10.344 10.762 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.221 -10.975 11.802 1.00 0.00 H new ATOM 0 H1' DG A 7 9.470 -8.852 12.985 1.00 0.00 H new ATOM 0 H8 DG A 7 6.025 -9.681 11.476 1.00 0.00 H new ATOM 0 H1 DG A 7 6.034 -8.125 17.716 1.00 0.00 H new ATOM 0 H21 DG A 7 9.517 -8.027 17.331 1.00 0.00 H new ATOM 0 H22 DG A 7 8.139 -7.914 18.432 1.00 0.00 H new ATOM 222 P DC A 8 11.948 -11.158 10.965 1.00 0.00 P ATOM 223 OP1 DC A 8 13.417 -11.001 10.873 1.00 0.00 O ATOM 224 OP2 DC A 8 11.253 -12.124 10.085 1.00 0.00 O ATOM 225 O5' DC A 8 11.567 -11.498 12.492 1.00 0.00 O ATOM 226 C5' DC A 8 12.202 -10.826 13.560 1.00 0.00 C ATOM 227 C4' DC A 8 11.560 -11.180 14.902 1.00 0.00 C ATOM 228 O4' DC A 8 10.208 -10.789 14.909 1.00 0.00 O ATOM 229 C3' DC A 8 11.538 -12.674 15.226 1.00 0.00 C ATOM 230 O3' DC A 8 12.744 -13.116 15.812 1.00 0.00 O ATOM 231 C2' DC A 8 10.363 -12.776 16.196 1.00 0.00 C ATOM 232 C1' DC A 8 9.585 -11.473 15.976 1.00 0.00 C ATOM 233 N1 DC A 8 8.154 -11.732 15.664 1.00 0.00 N ATOM 234 C2 DC A 8 7.196 -11.554 16.664 1.00 0.00 C ATOM 235 O2 DC A 8 7.515 -11.263 17.815 1.00 0.00 O ATOM 236 N3 DC A 8 5.883 -11.708 16.338 1.00 0.00 N ATOM 237 C4 DC A 8 5.506 -12.039 15.093 1.00 0.00 C ATOM 238 N4 DC A 8 4.200 -12.121 14.825 1.00 0.00 N ATOM 239 C5 DC A 8 6.478 -12.267 14.059 1.00 0.00 C ATOM 240 C6 DC A 8 7.778 -12.100 14.395 1.00 0.00 C ATOM 0 H5' DC A 8 12.144 -9.749 13.400 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.260 -11.089 13.580 1.00 0.00 H new ATOM 0 H4' DC A 8 12.176 -10.660 15.636 1.00 0.00 H new ATOM 0 H3' DC A 8 11.433 -13.304 14.342 1.00 0.00 H new ATOM 0 H2' DC A 8 9.746 -13.650 15.985 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.704 -12.868 17.227 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.683 -14.075 16.003 1.00 0.00 H new ATOM 0 H1' DC A 8 9.600 -10.875 16.887 1.00 0.00 H new ATOM 0 H41 DC A 8 3.887 -12.371 13.887 1.00 0.00 H new ATOM 0 H42 DC A 8 3.516 -11.934 15.558 1.00 0.00 H new ATOM 0 H5 DC A 8 6.185 -12.558 13.061 1.00 0.00 H new ATOM 0 H6 DC A 8 8.540 -12.260 13.646 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.189 -12.913 24.813 1.00 0.00 O ATOM 255 C5' DG B 1 -1.004 -11.515 24.882 1.00 0.00 C ATOM 256 C4' DG B 1 0.493 -11.183 24.924 1.00 0.00 C ATOM 257 O4' DG B 1 1.106 -11.596 23.708 1.00 0.00 O ATOM 258 C3' DG B 1 0.740 -9.678 25.089 1.00 0.00 C ATOM 259 O3' DG B 1 1.928 -9.456 25.829 1.00 0.00 O ATOM 260 C2' DG B 1 0.878 -9.294 23.625 1.00 0.00 C ATOM 261 C1' DG B 1 1.694 -10.466 23.097 1.00 0.00 C ATOM 262 N9 DG B 1 1.659 -10.556 21.614 1.00 0.00 N ATOM 263 C8 DG B 1 0.572 -10.633 20.770 1.00 0.00 C ATOM 264 N7 DG B 1 0.882 -10.731 19.508 1.00 0.00 N ATOM 265 C5 DG B 1 2.271 -10.731 19.502 1.00 0.00 C ATOM 266 C6 DG B 1 3.180 -10.850 18.407 1.00 0.00 C ATOM 267 O6 DG B 1 2.911 -10.973 17.215 1.00 0.00 O ATOM 268 N1 DG B 1 4.511 -10.817 18.816 1.00 0.00 N ATOM 269 C2 DG B 1 4.920 -10.700 20.133 1.00 0.00 C ATOM 270 N2 DG B 1 6.236 -10.674 20.367 1.00 0.00 N ATOM 271 N3 DG B 1 4.065 -10.608 21.164 1.00 0.00 N ATOM 272 C4 DG B 1 2.757 -10.629 20.785 1.00 0.00 C ATOM 0 H5' DG B 1 -1.497 -11.118 25.769 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.467 -11.036 24.019 1.00 0.00 H new ATOM 0 H4' DG B 1 0.918 -11.707 25.780 1.00 0.00 H new ATOM 0 H3' DG B 1 -0.019 -9.113 25.631 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.088 -9.206 23.128 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.391 -8.341 23.494 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.148 -13.115 24.788 1.00 0.00 H new ATOM 0 H1' DG B 1 2.753 -10.368 23.334 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.448 -10.614 21.124 1.00 0.00 H new ATOM 0 H1 DG B 1 5.232 -10.883 18.097 1.00 0.00 H new ATOM 0 H21 DG B 1 6.582 -10.589 21.323 1.00 0.00 H new ATOM 0 H22 DG B 1 6.894 -10.739 19.590 1.00 0.00 H new ATOM 285 P DC B 2 2.484 -7.972 26.154 1.00 0.00 P ATOM 286 OP1 DC B 2 2.869 -7.930 27.582 1.00 0.00 O ATOM 287 OP2 DC B 2 1.526 -6.975 25.626 1.00 0.00 O ATOM 288 O5' DC B 2 3.828 -7.899 25.259 1.00 0.00 O ATOM 289 C5' DC B 2 4.963 -8.672 25.599 1.00 0.00 C ATOM 290 C4' DC B 2 6.241 -8.303 24.850 1.00 0.00 C ATOM 291 O4' DC B 2 6.156 -8.635 23.475 1.00 0.00 O ATOM 292 C3' DC B 2 6.506 -6.803 24.990 1.00 0.00 C ATOM 293 O3' DC B 2 7.895 -6.591 25.188 1.00 0.00 O ATOM 294 C2' DC B 2 5.964 -6.314 23.669 1.00 0.00 C ATOM 295 C1' DC B 2 6.325 -7.452 22.720 1.00 0.00 C ATOM 296 N1 DC B 2 5.407 -7.473 21.560 1.00 0.00 N ATOM 297 C2 DC B 2 5.899 -7.498 20.254 1.00 0.00 C ATOM 298 O2 DC B 2 7.104 -7.566 20.023 1.00 0.00 O ATOM 299 N3 DC B 2 5.002 -7.448 19.226 1.00 0.00 N ATOM 300 C4 DC B 2 3.683 -7.349 19.457 1.00 0.00 C ATOM 301 N4 DC B 2 2.840 -7.346 18.420 1.00 0.00 N ATOM 302 C5 DC B 2 3.171 -7.344 20.797 1.00 0.00 C ATOM 303 C6 DC B 2 4.061 -7.439 21.794 1.00 0.00 C ATOM 0 H5' DC B 2 4.739 -9.722 25.410 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.145 -8.572 26.669 1.00 0.00 H new ATOM 0 H4' DC B 2 7.060 -8.874 25.289 1.00 0.00 H new ATOM 0 H3' DC B 2 6.050 -6.285 25.834 1.00 0.00 H new ATOM 0 H2' DC B 2 4.888 -6.146 23.710 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.422 -5.373 23.366 1.00 0.00 H new ATOM 0 H1' DC B 2 7.338 -7.343 22.334 1.00 0.00 H new ATOM 0 H41 DC B 2 1.835 -7.271 18.580 1.00 0.00 H new ATOM 0 H42 DC B 2 3.201 -7.418 17.469 1.00 0.00 H new ATOM 0 H5 DC B 2 2.112 -7.267 20.994 1.00 0.00 H new ATOM 0 H6 DC B 2 3.704 -7.490 22.812 1.00 0.00 H new ATOM 315 P DG B 3 8.587 -5.133 25.108 1.00 0.00 P ATOM 316 OP1 DG B 3 9.759 -5.130 26.011 1.00 0.00 O ATOM 317 OP2 DG B 3 7.545 -4.092 25.251 1.00 0.00 O ATOM 318 O5' DG B 3 9.120 -5.128 23.583 1.00 0.00 O ATOM 319 C5' DG B 3 10.141 -6.027 23.188 1.00 0.00 C ATOM 320 C4' DG B 3 10.673 -5.766 21.789 1.00 0.00 C ATOM 321 O4' DG B 3 9.668 -5.926 20.803 1.00 0.00 O ATOM 322 C3' DG B 3 11.240 -4.348 21.748 1.00 0.00 C ATOM 323 O3' DG B 3 12.612 -4.369 21.394 1.00 0.00 O ATOM 324 C2' DG B 3 10.312 -3.700 20.737 1.00 0.00 C ATOM 325 C1' DG B 3 9.732 -4.837 19.908 1.00 0.00 C ATOM 326 N9 DG B 3 8.363 -4.553 19.426 1.00 0.00 N ATOM 327 C8 DG B 3 7.252 -4.247 20.168 1.00 0.00 C ATOM 328 N7 DG B 3 6.127 -4.337 19.520 1.00 0.00 N ATOM 329 C5 DG B 3 6.520 -4.701 18.239 1.00 0.00 C ATOM 330 C6 DG B 3 5.732 -5.003 17.091 1.00 0.00 C ATOM 331 O6 DG B 3 4.511 -5.124 17.028 1.00 0.00 O ATOM 332 N1 DG B 3 6.509 -5.169 15.948 1.00 0.00 N ATOM 333 C2 DG B 3 7.892 -5.150 15.931 1.00 0.00 C ATOM 334 N2 DG B 3 8.499 -5.337 14.755 1.00 0.00 N ATOM 335 N3 DG B 3 8.635 -4.985 17.036 1.00 0.00 N ATOM 336 C4 DG B 3 7.891 -4.755 18.151 1.00 0.00 C ATOM 0 H5' DG B 3 9.756 -7.045 23.237 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.965 -5.963 23.899 1.00 0.00 H new ATOM 0 H4' DG B 3 11.452 -6.494 21.565 1.00 0.00 H new ATOM 0 H3' DG B 3 11.255 -3.801 22.691 1.00 0.00 H new ATOM 0 H2' DG B 3 9.522 -3.139 21.236 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.854 -2.995 20.107 1.00 0.00 H new ATOM 0 H1' DG B 3 10.344 -5.011 19.023 1.00 0.00 H new ATOM 0 H8 DG B 3 7.306 -3.955 21.206 1.00 0.00 H new ATOM 0 H1 DG B 3 6.025 -5.315 15.062 1.00 0.00 H new ATOM 0 H21 DG B 3 9.517 -5.330 14.700 1.00 0.00 H new ATOM 0 H22 DG B 3 7.944 -5.487 13.913 1.00 0.00 H new ATOM 348 P DT B 4 13.485 -3.016 21.218 1.00 0.00 P ATOM 349 OP1 DT B 4 14.918 -3.383 21.234 1.00 0.00 O ATOM 350 OP2 DT B 4 12.972 -1.987 22.149 1.00 0.00 O ATOM 351 O5' DT B 4 13.085 -2.594 19.716 1.00 0.00 O ATOM 352 C5' DT B 4 13.299 -3.498 18.656 1.00 0.00 C ATOM 353 C4' DT B 4 12.642 -3.087 17.343 1.00 0.00 C ATOM 354 O4' DT B 4 11.238 -3.153 17.470 1.00 0.00 O ATOM 355 C3' DT B 4 13.018 -1.674 16.871 1.00 0.00 C ATOM 356 O3' DT B 4 13.743 -1.768 15.658 1.00 0.00 O ATOM 357 C2' DT B 4 11.647 -1.014 16.740 1.00 0.00 C ATOM 358 C1' DT B 4 10.708 -2.204 16.580 1.00 0.00 C ATOM 359 N1 DT B 4 9.325 -1.837 16.956 1.00 0.00 N ATOM 360 C2 DT B 4 8.300 -1.903 16.013 1.00 0.00 C ATOM 361 O2 DT B 4 8.490 -2.123 14.819 1.00 0.00 O ATOM 362 N3 DT B 4 7.015 -1.702 16.499 1.00 0.00 N ATOM 363 C4 DT B 4 6.680 -1.398 17.812 1.00 0.00 C ATOM 364 O4 DT B 4 5.501 -1.267 18.132 1.00 0.00 O ATOM 365 C5 DT B 4 7.818 -1.264 18.704 1.00 0.00 C ATOM 366 C7 DT B 4 7.623 -0.878 20.152 1.00 0.00 C ATOM 367 C6 DT B 4 9.073 -1.488 18.255 1.00 0.00 C ATOM 0 H5' DT B 4 12.921 -4.478 18.947 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.372 -3.605 18.495 1.00 0.00 H new ATOM 0 H4' DT B 4 13.013 -3.788 16.595 1.00 0.00 H new ATOM 0 H3' DT B 4 13.671 -1.100 17.529 1.00 0.00 H new ATOM 0 H2' DT B 4 11.399 -0.420 17.620 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.601 -0.345 15.880 1.00 0.00 H new ATOM 0 H1' DT B 4 10.648 -2.569 15.555 1.00 0.00 H new ATOM 0 H3 DT B 4 6.248 -1.785 15.832 1.00 0.00 H new ATOM 0 H71 DT B 4 8.415 -1.321 20.756 1.00 0.00 H new ATOM 0 H72 DT B 4 7.658 0.207 20.247 1.00 0.00 H new ATOM 0 H73 DT B 4 6.656 -1.242 20.498 1.00 0.00 H new ATOM 0 H6 DT B 4 9.901 -1.389 18.941 1.00 0.00 H new ATOM 380 P DA B 5 14.264 -0.468 14.859 1.00 0.00 P ATOM 381 OP1 DA B 5 15.464 -0.850 14.082 1.00 0.00 O ATOM 382 OP2 DA B 5 14.325 0.676 15.796 1.00 0.00 O ATOM 383 O5' DA B 5 13.052 -0.216 13.830 1.00 0.00 O ATOM 384 C5' DA B 5 12.755 -1.151 12.811 1.00 0.00 C ATOM 385 C4' DA B 5 11.601 -0.640 11.948 1.00 0.00 C ATOM 386 O4' DA B 5 10.402 -0.580 12.702 1.00 0.00 O ATOM 387 C3' DA B 5 11.877 0.759 11.376 1.00 0.00 C ATOM 388 O3' DA B 5 11.801 0.675 9.964 1.00 0.00 O ATOM 389 C2' DA B 5 10.783 1.598 12.046 1.00 0.00 C ATOM 390 C1' DA B 5 9.681 0.561 12.287 1.00 0.00 C ATOM 391 N9 DA B 5 8.742 0.965 13.356 1.00 0.00 N ATOM 392 C8 DA B 5 9.083 1.361 14.616 1.00 0.00 C ATOM 393 N7 DA B 5 8.098 1.415 15.464 1.00 0.00 N ATOM 394 C5 DA B 5 6.997 1.075 14.687 1.00 0.00 C ATOM 395 C6 DA B 5 5.626 0.944 14.986 1.00 0.00 C ATOM 396 N6 DA B 5 5.151 1.054 16.230 1.00 0.00 N ATOM 397 N1 DA B 5 4.773 0.672 13.982 1.00 0.00 N ATOM 398 C2 DA B 5 5.259 0.510 12.753 1.00 0.00 C ATOM 399 N3 DA B 5 6.529 0.551 12.351 1.00 0.00 N ATOM 400 C4 DA B 5 7.368 0.847 13.383 1.00 0.00 C ATOM 0 H5' DA B 5 12.490 -2.111 13.254 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.636 -1.318 12.192 1.00 0.00 H new ATOM 0 H4' DA B 5 11.500 -1.345 11.123 1.00 0.00 H new ATOM 0 H3' DA B 5 12.857 1.196 11.570 1.00 0.00 H new ATOM 0 H2' DA B 5 11.128 2.049 12.976 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.443 2.411 11.405 1.00 0.00 H new ATOM 0 H1' DA B 5 9.066 0.414 11.399 1.00 0.00 H new ATOM 0 H8 DA B 5 10.097 1.612 14.890 1.00 0.00 H new ATOM 0 H61 DA B 5 4.151 0.953 16.405 1.00 0.00 H new ATOM 0 H62 DA B 5 5.788 1.239 17.005 1.00 0.00 H new ATOM 0 H2 DA B 5 4.528 0.321 11.981 1.00 0.00 H new ATOM 412 P DC B 6 11.962 1.955 8.998 1.00 0.00 P ATOM 413 OP1 DC B 6 12.343 1.477 7.650 1.00 0.00 O ATOM 414 OP2 DC B 6 12.785 2.976 9.684 1.00 0.00 O ATOM 415 O5' DC B 6 10.443 2.475 8.941 1.00 0.00 O ATOM 416 C5' DC B 6 9.408 1.639 8.461 1.00 0.00 C ATOM 417 C4' DC B 6 8.055 2.307 8.690 1.00 0.00 C ATOM 418 O4' DC B 6 7.829 2.378 10.080 1.00 0.00 O ATOM 419 C3' DC B 6 7.892 3.724 8.136 1.00 0.00 C ATOM 420 O3' DC B 6 7.203 3.732 6.896 1.00 0.00 O ATOM 421 C2' DC B 6 7.152 4.447 9.259 1.00 0.00 C ATOM 422 C1' DC B 6 6.846 3.360 10.274 1.00 0.00 C ATOM 423 N1 DC B 6 6.866 3.860 11.672 1.00 0.00 N ATOM 424 C2 DC B 6 5.683 3.849 12.407 1.00 0.00 C ATOM 425 O2 DC B 6 4.597 3.638 11.874 1.00 0.00 O ATOM 426 N3 DC B 6 5.750 4.078 13.746 1.00 0.00 N ATOM 427 C4 DC B 6 6.915 4.345 14.352 1.00 0.00 C ATOM 428 N4 DC B 6 6.916 4.498 15.680 1.00 0.00 N ATOM 429 C5 DC B 6 8.141 4.419 13.605 1.00 0.00 C ATOM 430 C6 DC B 6 8.058 4.176 12.276 1.00 0.00 C ATOM 0 H5' DC B 6 9.440 0.676 8.971 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.551 1.441 7.399 1.00 0.00 H new ATOM 0 H4' DC B 6 7.342 1.688 8.145 1.00 0.00 H new ATOM 0 H3' DC B 6 8.836 4.212 7.892 1.00 0.00 H new ATOM 0 H2' DC B 6 7.765 5.236 9.695 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.239 4.918 8.894 1.00 0.00 H new ATOM 0 H1' DC B 6 5.838 2.972 10.126 1.00 0.00 H new ATOM 0 H41 DC B 6 7.787 4.702 16.169 1.00 0.00 H new ATOM 0 H42 DC B 6 6.045 4.411 16.204 1.00 0.00 H new ATOM 0 H5 DC B 6 9.081 4.657 14.080 1.00 0.00 H new ATOM 0 H6 DC B 6 8.953 4.232 11.675 1.00 0.00 H new ATOM 442 P DG B 7 6.853 5.105 6.111 1.00 0.00 P ATOM 443 OP1 DG B 7 6.563 4.767 4.700 1.00 0.00 O ATOM 444 OP2 DG B 7 7.893 6.109 6.428 1.00 0.00 O ATOM 445 O5' DG B 7 5.473 5.570 6.812 1.00 0.00 O ATOM 446 C5' DG B 7 4.311 4.772 6.714 1.00 0.00 C ATOM 447 C4' DG B 7 3.124 5.339 7.494 1.00 0.00 C ATOM 448 O4' DG B 7 3.368 5.284 8.891 1.00 0.00 O ATOM 449 C3' DG B 7 2.836 6.797 7.105 1.00 0.00 C ATOM 450 O3' DG B 7 1.457 6.962 6.824 1.00 0.00 O ATOM 451 C2' DG B 7 3.306 7.522 8.357 1.00 0.00 C ATOM 452 C1' DG B 7 2.968 6.518 9.449 1.00 0.00 C ATOM 453 N9 DG B 7 3.713 6.793 10.697 1.00 0.00 N ATOM 454 C8 DG B 7 5.040 7.105 10.831 1.00 0.00 C ATOM 455 N7 DG B 7 5.459 7.158 12.064 1.00 0.00 N ATOM 456 C5 DG B 7 4.313 6.907 12.810 1.00 0.00 C ATOM 457 C6 DG B 7 4.132 6.873 14.225 1.00 0.00 C ATOM 458 O6 DG B 7 4.991 6.960 15.097 1.00 0.00 O ATOM 459 N1 DG B 7 2.796 6.724 14.587 1.00 0.00 N ATOM 460 C2 DG B 7 1.753 6.594 13.689 1.00 0.00 C ATOM 461 N2 DG B 7 0.520 6.495 14.193 1.00 0.00 N ATOM 462 N3 DG B 7 1.930 6.569 12.358 1.00 0.00 N ATOM 463 C4 DG B 7 3.227 6.735 11.983 1.00 0.00 C ATOM 0 H5' DG B 7 4.534 3.770 7.081 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.034 4.672 5.665 1.00 0.00 H new ATOM 0 H4' DG B 7 2.259 4.725 7.243 1.00 0.00 H new ATOM 0 H3' DG B 7 3.326 7.163 6.203 1.00 0.00 H new ATOM 0 H2' DG B 7 4.372 7.745 8.323 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.787 8.470 8.499 1.00 0.00 H new ATOM 0 H1' DG B 7 1.915 6.547 9.730 1.00 0.00 H new ATOM 0 H8 DG B 7 5.685 7.292 9.985 1.00 0.00 H new ATOM 0 H1 DG B 7 2.572 6.710 15.582 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.280 6.398 13.568 1.00 0.00 H new ATOM 0 H22 DG B 7 0.379 6.517 15.203 1.00 0.00 H new ATOM 475 P DC B 8 0.827 8.393 6.420 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.413 8.154 5.648 1.00 0.00 O ATOM 477 OP2 DC B 8 1.897 9.244 5.853 1.00 0.00 O ATOM 478 O5' DC B 8 0.423 8.981 7.864 1.00 0.00 O ATOM 479 C5' DC B 8 -0.676 8.450 8.576 1.00 0.00 C ATOM 480 C4' DC B 8 -0.762 9.036 9.986 1.00 0.00 C ATOM 481 O4' DC B 8 0.400 8.715 10.713 1.00 0.00 O ATOM 482 C3' DC B 8 -0.851 10.562 10.040 1.00 0.00 C ATOM 483 O3' DC B 8 -2.174 11.029 9.886 1.00 0.00 O ATOM 484 C2' DC B 8 -0.297 10.867 11.431 1.00 0.00 C ATOM 485 C1' DC B 8 0.443 9.584 11.826 1.00 0.00 C ATOM 486 N1 DC B 8 1.851 9.859 12.216 1.00 0.00 N ATOM 487 C2 DC B 8 2.191 9.880 13.570 1.00 0.00 C ATOM 488 O2 DC B 8 1.341 9.754 14.448 1.00 0.00 O ATOM 489 N3 DC B 8 3.501 10.044 13.907 1.00 0.00 N ATOM 490 C4 DC B 8 4.449 10.198 12.971 1.00 0.00 C ATOM 491 N4 DC B 8 5.722 10.299 13.365 1.00 0.00 N ATOM 492 C5 DC B 8 4.116 10.221 11.573 1.00 0.00 C ATOM 493 C6 DC B 8 2.813 10.047 11.252 1.00 0.00 C ATOM 0 H5' DC B 8 -0.583 7.366 8.636 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.598 8.662 8.035 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.676 8.607 10.397 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.307 11.054 9.234 1.00 0.00 H new ATOM 0 H2' DC B 8 0.374 11.726 11.414 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.095 11.101 12.136 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.182 12.008 9.929 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.038 9.133 12.694 1.00 0.00 H new ATOM 0 H41 DC B 8 6.462 10.417 12.673 1.00 0.00 H new ATOM 0 H42 DC B 8 5.953 10.258 14.358 1.00 0.00 H new ATOM 0 H5 DC B 8 4.870 10.370 10.814 1.00 0.00 H new ATOM 0 H6 DC B 8 2.521 10.056 10.212 1.00 0.00 H new TER 506 DC B 8