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 67:sc= 0.834 USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.108 (180deg=-0.108) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 67:sc= 0.993 USER MOD Single : B 8 DT C7 :methyl 150:sc= -0.0986 (180deg=-0.0986) USER MOD Single : B 8 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.950 7.679 2.876 1.00 0.00 O ATOM 2 C5' DG A 1 7.363 7.764 2.729 1.00 0.00 C ATOM 3 C4' DG A 1 8.169 6.883 3.677 1.00 0.00 C ATOM 4 O4' DG A 1 9.537 7.160 3.313 1.00 0.00 O ATOM 5 C3' DG A 1 8.107 7.070 5.236 1.00 0.00 C ATOM 6 O3' DG A 1 7.127 6.274 5.924 1.00 0.00 O ATOM 7 C2' DG A 1 9.489 6.549 5.591 1.00 0.00 C ATOM 8 C1' DG A 1 10.188 7.376 4.556 1.00 0.00 C ATOM 9 N9 DG A 1 10.415 8.773 4.910 1.00 0.00 N ATOM 10 C8 DG A 1 11.220 9.126 5.927 1.00 0.00 C ATOM 11 N7 DG A 1 11.289 10.412 6.143 1.00 0.00 N ATOM 12 C5 DG A 1 10.445 10.946 5.180 1.00 0.00 C ATOM 13 C6 DG A 1 10.105 12.300 4.913 1.00 0.00 C ATOM 14 O6 DG A 1 10.499 13.308 5.497 1.00 0.00 O ATOM 15 N1 DG A 1 9.222 12.407 3.857 1.00 0.00 N ATOM 16 C2 DG A 1 8.722 11.349 3.143 1.00 0.00 C ATOM 17 N2 DG A 1 7.871 11.636 2.154 1.00 0.00 N ATOM 18 N3 DG A 1 9.031 10.072 3.379 1.00 0.00 N ATOM 19 C4 DG A 1 9.892 9.943 4.405 1.00 0.00 C ATOM 0 H5' DG A 1 7.666 8.801 2.877 1.00 0.00 H new ATOM 0 H5'' DG A 1 7.622 7.499 1.704 1.00 0.00 H new ATOM 0 H4' DG A 1 7.743 5.888 3.545 1.00 0.00 H new ATOM 0 H3' DG A 1 7.839 8.088 5.517 1.00 0.00 H new ATOM 0 H2' DG A 1 9.795 6.771 6.613 1.00 0.00 H new ATOM 0 H2'' DG A 1 9.605 5.474 5.450 1.00 0.00 H new ATOM 0 HO5' DG A 1 5.688 8.052 3.744 1.00 0.00 H new ATOM 0 H1' DG A 1 11.221 7.036 4.478 1.00 0.00 H new ATOM 0 H8 DG A 1 11.765 8.405 6.517 1.00 0.00 H new ATOM 0 H1 DG A 1 8.919 13.343 3.588 1.00 0.00 H new ATOM 0 H21 DG A 1 7.470 10.885 1.592 1.00 0.00 H new ATOM 0 H22 DG A 1 7.622 12.606 1.961 1.00 0.00 H new ATOM 32 P DA A 2 5.551 6.271 5.589 1.00 0.00 P ATOM 33 OP1 DA A 2 5.145 7.669 5.300 1.00 0.00 O ATOM 34 OP2 DA A 2 4.839 5.538 6.661 1.00 0.00 O ATOM 35 O5' DA A 2 5.404 5.410 4.235 1.00 0.00 O ATOM 36 C5' DA A 2 5.406 3.977 4.151 1.00 0.00 C ATOM 37 C4' DA A 2 5.536 3.590 2.689 1.00 0.00 C ATOM 38 O4' DA A 2 6.706 4.151 2.127 1.00 0.00 O ATOM 39 C3' DA A 2 5.532 2.154 2.190 1.00 0.00 C ATOM 40 O3' DA A 2 4.916 2.102 0.879 1.00 0.00 O ATOM 41 C2' DA A 2 6.999 1.827 2.188 1.00 0.00 C ATOM 42 C1' DA A 2 7.692 3.145 1.879 1.00 0.00 C ATOM 43 N9 DA A 2 8.752 3.433 2.848 1.00 0.00 N ATOM 44 C8 DA A 2 8.842 3.081 4.183 1.00 0.00 C ATOM 45 N7 DA A 2 9.941 3.493 4.746 1.00 0.00 N ATOM 46 C5 DA A 2 10.613 4.147 3.738 1.00 0.00 C ATOM 47 C6 DA A 2 11.836 4.801 3.719 1.00 0.00 C ATOM 48 N6 DA A 2 12.592 4.912 4.820 1.00 0.00 N ATOM 49 N1 DA A 2 12.211 5.344 2.556 1.00 0.00 N ATOM 50 C2 DA A 2 11.415 5.243 1.483 1.00 0.00 C ATOM 51 N3 DA A 2 10.232 4.647 1.385 1.00 0.00 N ATOM 52 C4 DA A 2 9.896 4.117 2.566 1.00 0.00 C ATOM 0 H5' DA A 2 4.487 3.570 4.572 1.00 0.00 H new ATOM 0 H5'' DA A 2 6.232 3.563 4.729 1.00 0.00 H new ATOM 0 H4' DA A 2 4.565 3.975 2.377 1.00 0.00 H new ATOM 0 H3' DA A 2 4.961 1.441 2.785 1.00 0.00 H new ATOM 0 H2' DA A 2 7.317 1.430 3.152 1.00 0.00 H new ATOM 0 H2'' DA A 2 7.235 1.071 1.439 1.00 0.00 H new ATOM 0 H1' DA A 2 8.102 3.113 0.869 1.00 0.00 H new ATOM 0 H8 DA A 2 8.079 2.522 4.704 1.00 0.00 H new ATOM 0 H61 DA A 2 13.487 5.399 4.777 1.00 0.00 H new ATOM 0 H62 DA A 2 12.272 4.510 5.701 1.00 0.00 H new ATOM 0 H2 DA A 2 11.783 5.707 0.580 1.00 0.00 H new ATOM 64 P DG A 3 5.516 1.669 -0.572 1.00 0.00 P ATOM 65 OP1 DG A 3 4.362 1.465 -1.485 1.00 0.00 O ATOM 66 OP2 DG A 3 6.472 0.550 -0.359 1.00 0.00 O ATOM 67 O5' DG A 3 6.348 2.939 -1.115 1.00 0.00 O ATOM 68 C5' DG A 3 6.688 3.200 -2.497 1.00 0.00 C ATOM 69 C4' DG A 3 8.049 2.619 -2.877 1.00 0.00 C ATOM 70 O4' DG A 3 8.952 3.006 -1.849 1.00 0.00 O ATOM 71 C3' DG A 3 8.185 1.100 -2.821 1.00 0.00 C ATOM 72 O3' DG A 3 7.693 0.402 -3.973 1.00 0.00 O ATOM 73 C2' DG A 3 9.684 0.919 -2.615 1.00 0.00 C ATOM 74 C1' DG A 3 10.146 2.312 -2.192 1.00 0.00 C ATOM 75 N9 DG A 3 10.936 2.312 -0.981 1.00 0.00 N ATOM 76 C8 DG A 3 12.065 3.014 -0.708 1.00 0.00 C ATOM 77 N7 DG A 3 12.518 2.815 0.499 1.00 0.00 N ATOM 78 C5 DG A 3 11.615 1.915 1.043 1.00 0.00 C ATOM 79 C6 DG A 3 11.572 1.321 2.315 1.00 0.00 C ATOM 80 O6 DG A 3 12.365 1.513 3.225 1.00 0.00 O ATOM 81 N1 DG A 3 10.492 0.463 2.450 1.00 0.00 N ATOM 82 C2 DG A 3 9.571 0.220 1.461 1.00 0.00 C ATOM 83 N2 DG A 3 8.583 -0.641 1.688 1.00 0.00 N ATOM 84 N3 DG A 3 9.599 0.777 0.264 1.00 0.00 N ATOM 85 C4 DG A 3 10.641 1.602 0.132 1.00 0.00 C ATOM 0 H5' DG A 3 6.693 4.276 -2.671 1.00 0.00 H new ATOM 0 H5'' DG A 3 5.920 2.776 -3.144 1.00 0.00 H new ATOM 0 H4' DG A 3 8.217 2.966 -3.897 1.00 0.00 H new ATOM 0 H3' DG A 3 7.569 0.665 -2.034 1.00 0.00 H new ATOM 0 H2' DG A 3 9.899 0.173 -1.849 1.00 0.00 H new ATOM 0 H2'' DG A 3 10.180 0.590 -3.528 1.00 0.00 H new ATOM 0 H1' DG A 3 10.744 2.738 -2.997 1.00 0.00 H new ATOM 0 H8 DG A 3 12.541 3.672 -1.420 1.00 0.00 H new ATOM 0 H1 DG A 3 10.374 -0.019 3.341 1.00 0.00 H new ATOM 0 H21 DG A 3 7.893 -0.829 0.961 1.00 0.00 H new ATOM 0 H22 DG A 3 8.515 -1.113 2.590 1.00 0.00 H new ATOM 97 P DC A 4 8.155 0.779 -5.471 1.00 0.00 P ATOM 98 OP1 DC A 4 7.710 2.162 -5.779 1.00 0.00 O ATOM 99 OP2 DC A 4 7.776 -0.339 -6.371 1.00 0.00 O ATOM 100 O5' DC A 4 9.743 0.768 -5.302 1.00 0.00 O ATOM 101 C5' DC A 4 10.681 1.706 -5.830 1.00 0.00 C ATOM 102 C4' DC A 4 12.066 1.382 -5.278 1.00 0.00 C ATOM 103 O4' DC A 4 12.308 1.642 -3.870 1.00 0.00 O ATOM 104 C3' DC A 4 12.301 -0.123 -5.266 1.00 0.00 C ATOM 105 O3' DC A 4 12.365 -0.996 -6.386 1.00 0.00 O ATOM 106 C2' DC A 4 13.342 -0.392 -4.214 1.00 0.00 C ATOM 107 C1' DC A 4 13.530 0.957 -3.487 1.00 0.00 C ATOM 108 N1 DC A 4 13.630 0.642 -2.047 1.00 0.00 N ATOM 109 C2 DC A 4 14.692 1.050 -1.209 1.00 0.00 C ATOM 110 O2 DC A 4 15.630 1.766 -1.569 1.00 0.00 O ATOM 111 N3 DC A 4 14.676 0.629 0.075 1.00 0.00 N ATOM 112 C4 DC A 4 13.687 -0.147 0.528 1.00 0.00 C ATOM 113 N4 DC A 4 13.708 -0.535 1.794 1.00 0.00 N ATOM 114 C5 DC A 4 12.624 -0.555 -0.304 1.00 0.00 C ATOM 115 C6 DC A 4 12.633 -0.143 -1.553 1.00 0.00 C ATOM 0 H5' DC A 4 10.394 2.721 -5.556 1.00 0.00 H new ATOM 0 H5'' DC A 4 10.689 1.660 -6.919 1.00 0.00 H new ATOM 0 H4' DC A 4 12.682 2.008 -5.924 1.00 0.00 H new ATOM 0 H3' DC A 4 11.280 -0.465 -5.097 1.00 0.00 H new ATOM 0 H2' DC A 4 13.015 -1.170 -3.524 1.00 0.00 H new ATOM 0 H2'' DC A 4 14.276 -0.734 -4.660 1.00 0.00 H new ATOM 0 H1' DC A 4 14.407 1.560 -3.722 1.00 0.00 H new ATOM 0 H41 DC A 4 12.962 -1.128 2.158 1.00 0.00 H new ATOM 0 H42 DC A 4 14.470 -0.241 2.405 1.00 0.00 H new ATOM 0 H5 DC A 4 11.830 -1.184 0.071 1.00 0.00 H new ATOM 0 H6 DC A 4 11.825 -0.436 -2.207 1.00 0.00 H new ATOM 127 P DA A 5 11.492 -2.352 -6.287 1.00 0.00 P ATOM 128 OP1 DA A 5 12.252 -3.433 -6.963 1.00 0.00 O ATOM 129 OP2 DA A 5 10.113 -2.033 -6.738 1.00 0.00 O ATOM 130 O5' DA A 5 11.436 -2.701 -4.701 1.00 0.00 O ATOM 131 C5' DA A 5 10.482 -3.621 -4.157 1.00 0.00 C ATOM 132 C4' DA A 5 11.064 -4.511 -3.061 1.00 0.00 C ATOM 133 O4' DA A 5 12.302 -5.058 -3.557 1.00 0.00 O ATOM 134 C3' DA A 5 11.366 -4.107 -1.635 1.00 0.00 C ATOM 135 O3' DA A 5 11.444 -5.168 -0.651 1.00 0.00 O ATOM 136 C2' DA A 5 12.717 -3.531 -1.814 1.00 0.00 C ATOM 137 C1' DA A 5 13.365 -4.555 -2.719 1.00 0.00 C ATOM 138 N9 DA A 5 14.395 -3.793 -3.426 1.00 0.00 N ATOM 139 C8 DA A 5 14.548 -3.490 -4.751 1.00 0.00 C ATOM 140 N7 DA A 5 15.604 -2.748 -4.995 1.00 0.00 N ATOM 141 C5 DA A 5 16.171 -2.553 -3.740 1.00 0.00 C ATOM 142 C6 DA A 5 17.305 -1.859 -3.282 1.00 0.00 C ATOM 143 N6 DA A 5 18.135 -1.179 -4.079 1.00 0.00 N ATOM 144 N1 DA A 5 17.554 -1.888 -1.959 1.00 0.00 N ATOM 145 C2 DA A 5 16.725 -2.565 -1.150 1.00 0.00 C ATOM 146 N3 DA A 5 15.641 -3.248 -1.466 1.00 0.00 N ATOM 147 C4 DA A 5 15.429 -3.195 -2.783 1.00 0.00 C ATOM 0 H5' DA A 5 10.094 -4.249 -4.959 1.00 0.00 H new ATOM 0 H5'' DA A 5 9.638 -3.063 -3.753 1.00 0.00 H new ATOM 0 H4' DA A 5 10.178 -5.126 -2.905 1.00 0.00 H new ATOM 0 H3' DA A 5 10.572 -3.476 -1.237 1.00 0.00 H new ATOM 0 H2' DA A 5 12.684 -2.542 -2.271 1.00 0.00 H new ATOM 0 H2'' DA A 5 13.247 -3.427 -0.867 1.00 0.00 H new ATOM 0 H1' DA A 5 13.833 -5.418 -2.246 1.00 0.00 H new ATOM 0 H8 DA A 5 13.868 -3.827 -5.520 1.00 0.00 H new ATOM 0 H61 DA A 5 18.941 -0.696 -3.683 1.00 0.00 H new ATOM 0 H62 DA A 5 17.962 -1.143 -5.084 1.00 0.00 H new ATOM 0 H2 DA A 5 16.979 -2.549 -0.100 1.00 0.00 H new ATOM 159 P DG A 6 11.594 -6.786 -0.764 1.00 0.00 P ATOM 160 OP1 DG A 6 11.878 -7.293 0.602 1.00 0.00 O ATOM 161 OP2 DG A 6 12.548 -7.113 -1.853 1.00 0.00 O ATOM 162 O5' DG A 6 10.156 -7.369 -1.201 1.00 0.00 O ATOM 163 C5' DG A 6 8.935 -6.645 -1.047 1.00 0.00 C ATOM 164 C4' DG A 6 8.436 -6.560 0.387 1.00 0.00 C ATOM 165 O4' DG A 6 9.474 -6.185 1.310 1.00 0.00 O ATOM 166 C3' DG A 6 7.325 -5.520 0.515 1.00 0.00 C ATOM 167 O3' DG A 6 6.350 -5.609 1.565 1.00 0.00 O ATOM 168 C2' DG A 6 8.227 -4.398 0.918 1.00 0.00 C ATOM 169 C1' DG A 6 9.065 -5.041 2.055 1.00 0.00 C ATOM 170 N9 DG A 6 10.251 -4.263 2.415 1.00 0.00 N ATOM 171 C8 DG A 6 10.835 -3.401 1.555 1.00 0.00 C ATOM 172 N7 DG A 6 11.842 -2.756 2.019 1.00 0.00 N ATOM 173 C5 DG A 6 11.944 -3.223 3.307 1.00 0.00 C ATOM 174 C6 DG A 6 12.871 -2.858 4.270 1.00 0.00 C ATOM 175 O6 DG A 6 13.756 -2.041 4.097 1.00 0.00 O ATOM 176 N1 DG A 6 12.700 -3.513 5.463 1.00 0.00 N ATOM 177 C2 DG A 6 11.724 -4.437 5.705 1.00 0.00 C ATOM 178 N2 DG A 6 11.746 -4.951 6.947 1.00 0.00 N ATOM 179 N3 DG A 6 10.805 -4.815 4.785 1.00 0.00 N ATOM 180 C4 DG A 6 10.975 -4.164 3.603 1.00 0.00 C ATOM 0 H5' DG A 6 8.167 -7.117 -1.660 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.074 -5.635 -1.432 1.00 0.00 H new ATOM 0 H4' DG A 6 8.073 -7.558 0.632 1.00 0.00 H new ATOM 0 H3' DG A 6 6.694 -5.527 -0.374 1.00 0.00 H new ATOM 0 H2' DG A 6 8.853 -4.062 0.091 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.667 -3.530 1.266 1.00 0.00 H new ATOM 0 H1' DG A 6 8.542 -5.175 3.002 1.00 0.00 H new ATOM 0 H8 DG A 6 10.478 -3.264 0.545 1.00 0.00 H new ATOM 0 H1 DG A 6 13.346 -3.295 6.221 1.00 0.00 H new ATOM 0 H21 DG A 6 11.055 -5.649 7.222 1.00 0.00 H new ATOM 0 H22 DG A 6 12.453 -4.643 7.614 1.00 0.00 H new ATOM 192 P DG A 7 5.733 -6.954 2.176 1.00 0.00 P ATOM 193 OP1 DG A 7 5.786 -8.014 1.137 1.00 0.00 O ATOM 194 OP2 DG A 7 4.435 -6.620 2.816 1.00 0.00 O ATOM 195 O5' DG A 7 6.802 -7.316 3.314 1.00 0.00 O ATOM 196 C5' DG A 7 6.494 -7.605 4.681 1.00 0.00 C ATOM 197 C4' DG A 7 6.390 -6.356 5.546 1.00 0.00 C ATOM 198 O4' DG A 7 7.590 -5.563 5.423 1.00 0.00 O ATOM 199 C3' DG A 7 5.234 -5.339 5.347 1.00 0.00 C ATOM 200 O3' DG A 7 4.660 -4.892 6.579 1.00 0.00 O ATOM 201 C2' DG A 7 6.032 -4.161 4.820 1.00 0.00 C ATOM 202 C1' DG A 7 7.224 -4.227 5.779 1.00 0.00 C ATOM 203 N9 DG A 7 8.208 -3.220 5.390 1.00 0.00 N ATOM 204 C8 DG A 7 8.338 -2.641 4.158 1.00 0.00 C ATOM 205 N7 DG A 7 9.269 -1.746 4.107 1.00 0.00 N ATOM 206 C5 DG A 7 9.794 -1.716 5.370 1.00 0.00 C ATOM 207 C6 DG A 7 10.833 -0.922 5.861 1.00 0.00 C ATOM 208 O6 DG A 7 11.449 -0.089 5.207 1.00 0.00 O ATOM 209 N1 DG A 7 11.090 -1.175 7.195 1.00 0.00 N ATOM 210 C2 DG A 7 10.397 -2.104 7.944 1.00 0.00 C ATOM 211 N2 DG A 7 10.730 -2.257 9.224 1.00 0.00 N ATOM 212 N3 DG A 7 9.401 -2.866 7.483 1.00 0.00 N ATOM 213 C4 DG A 7 9.155 -2.620 6.189 1.00 0.00 C ATOM 0 H5' DG A 7 7.263 -8.260 5.090 1.00 0.00 H new ATOM 0 H5'' DG A 7 5.552 -8.152 4.727 1.00 0.00 H new ATOM 0 H4' DG A 7 6.199 -6.830 6.509 1.00 0.00 H new ATOM 0 H3' DG A 7 4.420 -5.745 4.746 1.00 0.00 H new ATOM 0 H2' DG A 7 6.324 -4.284 3.777 1.00 0.00 H new ATOM 0 H2'' DG A 7 5.488 -3.219 4.890 1.00 0.00 H new ATOM 0 H1' DG A 7 7.083 -4.039 6.843 1.00 0.00 H new ATOM 0 H8 DG A 7 7.723 -2.906 3.311 1.00 0.00 H new ATOM 0 H1 DG A 7 11.833 -0.646 7.651 1.00 0.00 H new ATOM 0 H21 DG A 7 10.235 -2.936 9.802 1.00 0.00 H new ATOM 0 H22 DG A 7 11.480 -1.695 9.626 1.00 0.00 H new ATOM 225 P DT A 8 3.775 -5.829 7.532 1.00 0.00 P ATOM 226 OP1 DT A 8 4.030 -7.251 7.186 1.00 0.00 O ATOM 227 OP2 DT A 8 2.383 -5.310 7.517 1.00 0.00 O ATOM 228 O5' DT A 8 4.410 -5.551 8.975 1.00 0.00 O ATOM 229 C5' DT A 8 3.936 -4.538 9.863 1.00 0.00 C ATOM 230 C4' DT A 8 4.990 -4.260 10.920 1.00 0.00 C ATOM 231 O4' DT A 8 6.236 -3.778 10.393 1.00 0.00 O ATOM 232 C3' DT A 8 4.673 -3.319 12.070 1.00 0.00 C ATOM 233 O3' DT A 8 5.467 -3.555 13.217 1.00 0.00 O ATOM 234 C2' DT A 8 5.065 -2.030 11.431 1.00 0.00 C ATOM 235 C1' DT A 8 6.395 -2.408 10.809 1.00 0.00 C ATOM 236 N1 DT A 8 6.650 -1.628 9.592 1.00 0.00 N ATOM 237 C2 DT A 8 7.797 -0.883 9.442 1.00 0.00 C ATOM 238 O2 DT A 8 8.664 -0.817 10.312 1.00 0.00 O ATOM 239 N3 DT A 8 7.890 -0.203 8.239 1.00 0.00 N ATOM 240 C4 DT A 8 6.984 -0.195 7.212 1.00 0.00 C ATOM 241 O4 DT A 8 7.201 0.457 6.190 1.00 0.00 O ATOM 242 C5 DT A 8 5.818 -0.994 7.455 1.00 0.00 C ATOM 243 C7 DT A 8 4.706 -1.066 6.446 1.00 0.00 C ATOM 244 C6 DT A 8 5.717 -1.656 8.604 1.00 0.00 C ATOM 0 H5' DT A 8 3.007 -4.858 10.335 1.00 0.00 H new ATOM 0 H5'' DT A 8 3.713 -3.627 9.307 1.00 0.00 H new ATOM 0 H4' DT A 8 5.036 -5.272 11.322 1.00 0.00 H new ATOM 0 H3' DT A 8 3.651 -3.396 12.441 1.00 0.00 H new ATOM 0 H2' DT A 8 4.340 -1.702 10.686 1.00 0.00 H new ATOM 0 H2'' DT A 8 5.164 -1.223 12.157 1.00 0.00 H new ATOM 0 HO3' DT A 8 5.220 -2.920 13.922 1.00 0.00 H new ATOM 0 H1' DT A 8 7.207 -2.238 11.515 1.00 0.00 H new ATOM 0 H3 DT A 8 8.731 0.357 8.102 1.00 0.00 H new ATOM 0 H71 DT A 8 4.217 -2.038 6.512 1.00 0.00 H new ATOM 0 H72 DT A 8 3.979 -0.279 6.649 1.00 0.00 H new ATOM 0 H73 DT A 8 5.114 -0.933 5.444 1.00 0.00 H new ATOM 0 H6 DT A 8 4.834 -2.257 8.763 1.00 0.00 H new TER 258 DT A 8 ATOM 259 O5' DG B 1 10.075 6.846 12.270 1.00 0.00 O ATOM 260 C5' DG B 1 9.611 5.554 11.893 1.00 0.00 C ATOM 261 C4' DG B 1 9.764 5.215 10.414 1.00 0.00 C ATOM 262 O4' DG B 1 9.228 3.879 10.319 1.00 0.00 O ATOM 263 C3' DG B 1 9.032 6.039 9.295 1.00 0.00 C ATOM 264 O3' DG B 1 9.774 7.136 8.738 1.00 0.00 O ATOM 265 C2' DG B 1 8.915 4.951 8.241 1.00 0.00 C ATOM 266 C1' DG B 1 8.364 3.934 9.194 1.00 0.00 C ATOM 267 N9 DG B 1 6.944 4.057 9.499 1.00 0.00 N ATOM 268 C8 DG B 1 5.998 3.882 8.560 1.00 0.00 C ATOM 269 N7 DG B 1 4.776 4.063 8.982 1.00 0.00 N ATOM 270 C5 DG B 1 4.940 4.392 10.319 1.00 0.00 C ATOM 271 C6 DG B 1 3.972 4.705 11.310 1.00 0.00 C ATOM 272 O6 DG B 1 2.749 4.749 11.184 1.00 0.00 O ATOM 273 N1 DG B 1 4.556 4.977 12.530 1.00 0.00 N ATOM 274 C2 DG B 1 5.904 4.955 12.776 1.00 0.00 C ATOM 275 N2 DG B 1 6.298 5.251 14.018 1.00 0.00 N ATOM 276 N3 DG B 1 6.830 4.663 11.857 1.00 0.00 N ATOM 277 C4 DG B 1 6.282 4.394 10.660 1.00 0.00 C ATOM 0 H5' DG B 1 8.558 5.471 12.161 1.00 0.00 H new ATOM 0 H5'' DG B 1 10.148 4.808 12.478 1.00 0.00 H new ATOM 0 H4' DG B 1 10.814 5.416 10.200 1.00 0.00 H new ATOM 0 H3' DG B 1 8.125 6.517 9.665 1.00 0.00 H new ATOM 0 H2' DG B 1 8.240 5.200 7.422 1.00 0.00 H new ATOM 0 H2'' DG B 1 9.867 4.666 7.793 1.00 0.00 H new ATOM 0 HO5' DG B 1 9.505 7.530 11.862 1.00 0.00 H new ATOM 0 H1' DG B 1 8.361 2.961 8.703 1.00 0.00 H new ATOM 0 H8 DG B 1 6.230 3.614 7.540 1.00 0.00 H new ATOM 0 H1 DG B 1 3.938 5.212 13.307 1.00 0.00 H new ATOM 0 H21 DG B 1 7.291 5.249 14.252 1.00 0.00 H new ATOM 0 H22 DG B 1 5.606 5.479 14.732 1.00 0.00 H new ATOM 290 P DA B 2 10.401 8.347 9.597 1.00 0.00 P ATOM 291 OP1 DA B 2 9.422 8.711 10.653 1.00 0.00 O ATOM 292 OP2 DA B 2 10.859 9.403 8.665 1.00 0.00 O ATOM 293 O5' DA B 2 11.710 7.732 10.310 1.00 0.00 O ATOM 294 C5' DA B 2 12.986 7.535 9.688 1.00 0.00 C ATOM 295 C4' DA B 2 13.835 6.678 10.608 1.00 0.00 C ATOM 296 O4' DA B 2 13.190 5.449 10.880 1.00 0.00 O ATOM 297 C3' DA B 2 15.275 6.289 10.314 1.00 0.00 C ATOM 298 O3' DA B 2 16.010 6.188 11.560 1.00 0.00 O ATOM 299 C2' DA B 2 15.096 4.976 9.604 1.00 0.00 C ATOM 300 C1' DA B 2 13.847 4.365 10.220 1.00 0.00 C ATOM 301 N9 DA B 2 12.895 3.939 9.191 1.00 0.00 N ATOM 302 C8 DA B 2 12.668 4.465 7.932 1.00 0.00 C ATOM 303 N7 DA B 2 11.751 3.823 7.270 1.00 0.00 N ATOM 304 C5 DA B 2 11.349 2.823 8.127 1.00 0.00 C ATOM 305 C6 DA B 2 10.401 1.820 7.995 1.00 0.00 C ATOM 306 N6 DA B 2 9.651 1.704 6.891 1.00 0.00 N ATOM 307 N1 DA B 2 10.250 0.993 9.034 1.00 0.00 N ATOM 308 C2 DA B 2 10.994 1.159 10.135 1.00 0.00 C ATOM 309 N3 DA B 2 11.924 2.077 10.374 1.00 0.00 N ATOM 310 C4 DA B 2 12.046 2.881 9.311 1.00 0.00 C ATOM 0 H5' DA B 2 13.472 8.493 9.506 1.00 0.00 H new ATOM 0 H5'' DA B 2 12.866 7.049 8.720 1.00 0.00 H new ATOM 0 H4' DA B 2 13.925 7.414 11.407 1.00 0.00 H new ATOM 0 H3' DA B 2 15.851 6.996 9.717 1.00 0.00 H new ATOM 0 H2' DA B 2 14.977 5.121 8.530 1.00 0.00 H new ATOM 0 H2'' DA B 2 15.962 4.330 9.744 1.00 0.00 H new ATOM 0 H1' DA B 2 14.127 3.519 10.848 1.00 0.00 H new ATOM 0 H8 DA B 2 13.198 5.320 7.539 1.00 0.00 H new ATOM 0 H61 DA B 2 8.961 0.957 6.820 1.00 0.00 H new ATOM 0 H62 DA B 2 9.770 2.363 6.122 1.00 0.00 H new ATOM 0 H2 DA B 2 10.814 0.454 10.933 1.00 0.00 H new ATOM 322 P DG B 3 16.746 4.921 12.272 1.00 0.00 P ATOM 323 OP1 DG B 3 17.633 5.465 13.332 1.00 0.00 O ATOM 324 OP2 DG B 3 17.337 4.073 11.205 1.00 0.00 O ATOM 325 O5' DG B 3 15.582 4.073 12.999 1.00 0.00 O ATOM 326 C5' DG B 3 15.771 3.140 14.088 1.00 0.00 C ATOM 327 C4' DG B 3 15.991 1.711 13.596 1.00 0.00 C ATOM 328 O4' DG B 3 14.980 1.461 12.628 1.00 0.00 O ATOM 329 C3' DG B 3 17.247 1.456 12.769 1.00 0.00 C ATOM 330 O3' DG B 3 18.445 1.256 13.532 1.00 0.00 O ATOM 331 C2' DG B 3 16.853 0.232 11.954 1.00 0.00 C ATOM 332 C1' DG B 3 15.335 0.182 12.113 1.00 0.00 C ATOM 333 N9 DG B 3 14.628 0.077 10.857 1.00 0.00 N ATOM 334 C8 DG B 3 13.558 -0.698 10.551 1.00 0.00 C ATOM 335 N7 DG B 3 13.131 -0.533 9.330 1.00 0.00 N ATOM 336 C5 DG B 3 13.994 0.416 8.807 1.00 0.00 C ATOM 337 C6 DG B 3 14.044 1.002 7.531 1.00 0.00 C ATOM 338 O6 DG B 3 13.282 0.770 6.606 1.00 0.00 O ATOM 339 N1 DG B 3 15.081 1.915 7.421 1.00 0.00 N ATOM 340 C2 DG B 3 15.958 2.216 8.435 1.00 0.00 C ATOM 341 N2 DG B 3 16.933 3.091 8.215 1.00 0.00 N ATOM 342 N3 DG B 3 15.915 1.675 9.639 1.00 0.00 N ATOM 343 C4 DG B 3 14.918 0.793 9.746 1.00 0.00 C ATOM 0 H5' DG B 3 14.899 3.167 14.742 1.00 0.00 H new ATOM 0 H5'' DG B 3 16.627 3.452 14.686 1.00 0.00 H new ATOM 0 H4' DG B 3 16.023 1.112 14.506 1.00 0.00 H new ATOM 0 H3' DG B 3 17.523 2.322 12.168 1.00 0.00 H new ATOM 0 H2' DG B 3 17.145 0.333 10.909 1.00 0.00 H new ATOM 0 H2'' DG B 3 17.328 -0.674 12.332 1.00 0.00 H new ATOM 0 H1' DG B 3 15.078 -0.681 12.728 1.00 0.00 H new ATOM 0 H8 DG B 3 13.104 -1.385 11.250 1.00 0.00 H new ATOM 0 H1 DG B 3 15.201 2.395 6.529 1.00 0.00 H new ATOM 0 H21 DG B 3 17.589 3.321 8.961 1.00 0.00 H new ATOM 0 H22 DG B 3 17.025 3.532 7.300 1.00 0.00 H new ATOM 355 P DC B 4 18.537 0.174 14.722 1.00 0.00 P ATOM 356 OP1 DC B 4 17.591 0.561 15.800 1.00 0.00 O ATOM 357 OP2 DC B 4 19.970 -0.048 15.040 1.00 0.00 O ATOM 358 O5' DC B 4 17.982 -1.128 13.984 1.00 0.00 O ATOM 359 C5' DC B 4 17.069 -2.097 14.498 1.00 0.00 C ATOM 360 C4' DC B 4 16.706 -3.072 13.383 1.00 0.00 C ATOM 361 O4' DC B 4 15.870 -2.577 12.303 1.00 0.00 O ATOM 362 C3' DC B 4 17.935 -3.432 12.560 1.00 0.00 C ATOM 363 O3' DC B 4 19.098 -4.120 13.002 1.00 0.00 O ATOM 364 C2' DC B 4 17.442 -3.860 11.205 1.00 0.00 C ATOM 365 C1' DC B 4 15.935 -3.530 11.208 1.00 0.00 C ATOM 366 N1 DC B 4 15.634 -2.959 9.879 1.00 0.00 N ATOM 367 C2 DC B 4 14.626 -3.437 9.011 1.00 0.00 C ATOM 368 O2 DC B 4 13.842 -4.349 9.286 1.00 0.00 O ATOM 369 N3 DC B 4 14.511 -2.850 7.798 1.00 0.00 N ATOM 370 C4 DC B 4 15.328 -1.855 7.442 1.00 0.00 C ATOM 371 N4 DC B 4 15.181 -1.305 6.244 1.00 0.00 N ATOM 372 C5 DC B 4 16.334 -1.373 8.304 1.00 0.00 C ATOM 373 C6 DC B 4 16.444 -1.938 9.487 1.00 0.00 C ATOM 0 H5' DC B 4 16.172 -1.607 14.877 1.00 0.00 H new ATOM 0 H5'' DC B 4 17.518 -2.632 15.335 1.00 0.00 H new ATOM 0 H4' DC B 4 16.213 -3.852 13.963 1.00 0.00 H new ATOM 0 H3' DC B 4 18.491 -2.499 12.647 1.00 0.00 H new ATOM 0 H2' DC B 4 17.962 -3.327 10.409 1.00 0.00 H new ATOM 0 H2'' DC B 4 17.613 -4.924 11.040 1.00 0.00 H new ATOM 0 H1' DC B 4 15.222 -4.341 11.353 1.00 0.00 H new ATOM 0 H41 DC B 4 15.795 -0.544 5.953 1.00 0.00 H new ATOM 0 H42 DC B 4 14.454 -1.643 5.613 1.00 0.00 H new ATOM 0 H5 DC B 4 16.990 -0.569 8.004 1.00 0.00 H new ATOM 0 H6 DC B 4 17.201 -1.580 10.169 1.00 0.00 H new ATOM 385 P DA B 5 20.516 -3.457 12.602 1.00 0.00 P ATOM 386 OP1 DA B 5 21.473 -4.560 12.330 1.00 0.00 O ATOM 387 OP2 DA B 5 20.846 -2.440 13.633 1.00 0.00 O ATOM 388 O5' DA B 5 20.239 -2.684 11.201 1.00 0.00 O ATOM 389 C5' DA B 5 21.136 -1.691 10.688 1.00 0.00 C ATOM 390 C4' DA B 5 21.312 -1.765 9.173 1.00 0.00 C ATOM 391 O4' DA B 5 21.584 -3.140 8.834 1.00 0.00 O ATOM 392 C3' DA B 5 20.325 -1.300 8.125 1.00 0.00 C ATOM 393 O3' DA B 5 20.852 -1.007 6.807 1.00 0.00 O ATOM 394 C2' DA B 5 19.466 -2.499 8.032 1.00 0.00 C ATOM 395 C1' DA B 5 20.493 -3.608 8.012 1.00 0.00 C ATOM 396 N9 DA B 5 19.773 -4.762 8.548 1.00 0.00 N ATOM 397 C8 DA B 5 19.962 -5.501 9.684 1.00 0.00 C ATOM 398 N7 DA B 5 19.073 -6.458 9.836 1.00 0.00 N ATOM 399 C5 DA B 5 18.251 -6.327 8.721 1.00 0.00 C ATOM 400 C6 DA B 5 17.115 -7.019 8.264 1.00 0.00 C ATOM 401 N6 DA B 5 16.563 -8.051 8.908 1.00 0.00 N ATOM 402 N1 DA B 5 16.562 -6.602 7.110 1.00 0.00 N ATOM 403 C2 DA B 5 17.107 -5.564 6.457 1.00 0.00 C ATOM 404 N3 DA B 5 18.164 -4.847 6.789 1.00 0.00 N ATOM 405 C4 DA B 5 18.683 -5.289 7.936 1.00 0.00 C ATOM 0 H5' DA B 5 22.108 -1.807 11.166 1.00 0.00 H new ATOM 0 H5'' DA B 5 20.765 -0.702 10.956 1.00 0.00 H new ATOM 0 H4' DA B 5 22.068 -0.984 9.089 1.00 0.00 H new ATOM 0 H3' DA B 5 19.875 -0.351 8.415 1.00 0.00 H new ATOM 0 H2' DA B 5 18.788 -2.584 8.881 1.00 0.00 H new ATOM 0 H2'' DA B 5 18.851 -2.494 7.132 1.00 0.00 H new ATOM 0 H1' DA B 5 20.917 -3.881 7.046 1.00 0.00 H new ATOM 0 H8 DA B 5 20.762 -5.317 10.386 1.00 0.00 H new ATOM 0 H61 DA B 5 15.738 -8.510 8.522 1.00 0.00 H new ATOM 0 H62 DA B 5 16.967 -8.380 9.785 1.00 0.00 H new ATOM 0 H2 DA B 5 16.616 -5.278 5.539 1.00 0.00 H new ATOM 417 P DG B 6 22.255 -1.366 6.061 1.00 0.00 P ATOM 418 OP1 DG B 6 22.091 -1.009 4.630 1.00 0.00 O ATOM 419 OP2 DG B 6 22.651 -2.754 6.405 1.00 0.00 O ATOM 420 O5' DG B 6 23.381 -0.387 6.670 1.00 0.00 O ATOM 421 C5' DG B 6 23.079 0.827 7.358 1.00 0.00 C ATOM 422 C4' DG B 6 22.623 1.961 6.454 1.00 0.00 C ATOM 423 O4' DG B 6 21.620 1.540 5.510 1.00 0.00 O ATOM 424 C3' DG B 6 22.020 3.100 7.272 1.00 0.00 C ATOM 425 O3' DG B 6 22.008 4.444 6.767 1.00 0.00 O ATOM 426 C2' DG B 6 20.605 2.629 7.151 1.00 0.00 C ATOM 427 C1' DG B 6 20.471 2.377 5.626 1.00 0.00 C ATOM 428 N9 DG B 6 19.282 1.602 5.268 1.00 0.00 N ATOM 429 C8 DG B 6 18.674 0.772 6.142 1.00 0.00 C ATOM 430 N7 DG B 6 17.618 0.188 5.704 1.00 0.00 N ATOM 431 C5 DG B 6 17.506 0.669 4.421 1.00 0.00 C ATOM 432 C6 DG B 6 16.531 0.364 3.486 1.00 0.00 C ATOM 433 O6 DG B 6 15.605 -0.402 3.681 1.00 0.00 O ATOM 434 N1 DG B 6 16.705 1.015 2.291 1.00 0.00 N ATOM 435 C2 DG B 6 17.726 1.882 2.024 1.00 0.00 C ATOM 436 N2 DG B 6 17.697 2.406 0.786 1.00 0.00 N ATOM 437 N3 DG B 6 18.692 2.201 2.918 1.00 0.00 N ATOM 438 C4 DG B 6 18.519 1.554 4.102 1.00 0.00 C ATOM 0 H5' DG B 6 23.963 1.149 7.908 1.00 0.00 H new ATOM 0 H5'' DG B 6 22.300 0.630 8.095 1.00 0.00 H new ATOM 0 H4' DG B 6 23.514 2.290 5.919 1.00 0.00 H new ATOM 0 H3' DG B 6 22.562 3.221 8.210 1.00 0.00 H new ATOM 0 H2' DG B 6 20.427 1.723 7.730 1.00 0.00 H new ATOM 0 H2'' DG B 6 19.895 3.378 7.504 1.00 0.00 H new ATOM 0 H1' DG B 6 20.396 3.273 5.009 1.00 0.00 H new ATOM 0 H8 DG B 6 19.050 0.610 7.141 1.00 0.00 H new ATOM 0 H1 DG B 6 16.025 0.839 1.551 1.00 0.00 H new ATOM 0 H21 DG B 6 18.419 3.065 0.494 1.00 0.00 H new ATOM 0 H22 DG B 6 16.953 2.145 0.139 1.00 0.00 H new ATOM 450 P DG B 7 23.143 5.130 5.870 1.00 0.00 P ATOM 451 OP1 DG B 7 24.441 4.470 6.163 1.00 0.00 O ATOM 452 OP2 DG B 7 23.020 6.603 6.015 1.00 0.00 O ATOM 453 O5' DG B 7 22.690 4.708 4.391 1.00 0.00 O ATOM 454 C5' DG B 7 22.521 5.603 3.287 1.00 0.00 C ATOM 455 C4' DG B 7 21.141 6.243 3.242 1.00 0.00 C ATOM 456 O4' DG B 7 20.118 5.224 3.268 1.00 0.00 O ATOM 457 C3' DG B 7 20.697 7.262 4.326 1.00 0.00 C ATOM 458 O3' DG B 7 20.024 8.401 3.784 1.00 0.00 O ATOM 459 C2' DG B 7 19.618 6.440 5.008 1.00 0.00 C ATOM 460 C1' DG B 7 18.936 5.858 3.767 1.00 0.00 C ATOM 461 N9 DG B 7 17.895 4.922 4.187 1.00 0.00 N ATOM 462 C8 DG B 7 17.817 4.278 5.390 1.00 0.00 C ATOM 463 N7 DG B 7 16.763 3.540 5.511 1.00 0.00 N ATOM 464 C5 DG B 7 16.095 3.692 4.327 1.00 0.00 C ATOM 465 C6 DG B 7 14.889 3.111 3.928 1.00 0.00 C ATOM 466 O6 DG B 7 14.218 2.348 4.612 1.00 0.00 O ATOM 467 N1 DG B 7 14.525 3.500 2.653 1.00 0.00 N ATOM 468 C2 DG B 7 15.268 4.364 1.876 1.00 0.00 C ATOM 469 N2 DG B 7 14.813 4.675 0.663 1.00 0.00 N ATOM 470 N3 DG B 7 16.420 4.928 2.251 1.00 0.00 N ATOM 471 C4 DG B 7 16.772 4.546 3.485 1.00 0.00 C ATOM 0 H5' DG B 7 22.694 5.060 2.358 1.00 0.00 H new ATOM 0 H5'' DG B 7 23.277 6.387 3.344 1.00 0.00 H new ATOM 0 H4' DG B 7 21.249 6.821 2.324 1.00 0.00 H new ATOM 0 H3' DG B 7 21.535 7.637 4.914 1.00 0.00 H new ATOM 0 H2' DG B 7 20.026 5.671 5.663 1.00 0.00 H new ATOM 0 H2'' DG B 7 18.944 7.048 5.612 1.00 0.00 H new ATOM 0 H1' DG B 7 18.415 6.513 3.069 1.00 0.00 H new ATOM 0 H8 DG B 7 18.564 4.376 6.164 1.00 0.00 H new ATOM 0 H1 DG B 7 13.658 3.127 2.265 1.00 0.00 H new ATOM 0 H21 DG B 7 15.343 5.312 0.067 1.00 0.00 H new ATOM 0 H22 DG B 7 13.935 4.276 0.330 1.00 0.00 H new ATOM 483 P DT B 8 20.758 9.529 2.914 1.00 0.00 P ATOM 484 OP1 DT B 8 22.046 8.989 2.407 1.00 0.00 O ATOM 485 OP2 DT B 8 20.752 10.789 3.701 1.00 0.00 O ATOM 486 O5' DT B 8 19.769 9.701 1.665 1.00 0.00 O ATOM 487 C5' DT B 8 18.703 10.649 1.629 1.00 0.00 C ATOM 488 C4' DT B 8 17.729 10.269 0.527 1.00 0.00 C ATOM 489 O4' DT B 8 17.114 8.984 0.706 1.00 0.00 O ATOM 490 C3' DT B 8 16.574 11.200 0.191 1.00 0.00 C ATOM 491 O3' DT B 8 16.096 11.034 -1.131 1.00 0.00 O ATOM 492 C2' DT B 8 15.572 10.689 1.167 1.00 0.00 C ATOM 493 C1' DT B 8 15.714 9.192 0.975 1.00 0.00 C ATOM 494 N1 DT B 8 15.415 8.468 2.216 1.00 0.00 N ATOM 495 C2 DT B 8 14.460 7.478 2.261 1.00 0.00 C ATOM 496 O2 DT B 8 13.801 7.149 1.276 1.00 0.00 O ATOM 497 N3 DT B 8 14.296 6.892 3.504 1.00 0.00 N ATOM 498 C4 DT B 8 14.962 7.187 4.663 1.00 0.00 C ATOM 499 O4 DT B 8 14.713 6.577 5.703 1.00 0.00 O ATOM 500 C5 DT B 8 15.934 8.233 4.527 1.00 0.00 C ATOM 501 C7 DT B 8 16.729 8.708 5.711 1.00 0.00 C ATOM 502 C6 DT B 8 16.108 8.803 3.337 1.00 0.00 C ATOM 0 H5' DT B 8 19.097 11.650 1.452 1.00 0.00 H new ATOM 0 H5'' DT B 8 18.190 10.673 2.591 1.00 0.00 H new ATOM 0 H4' DT B 8 18.443 10.312 -0.295 1.00 0.00 H new ATOM 0 H3' DT B 8 16.822 12.260 0.248 1.00 0.00 H new ATOM 0 H2' DT B 8 15.798 10.997 2.188 1.00 0.00 H new ATOM 0 H2'' DT B 8 14.564 11.039 0.944 1.00 0.00 H new ATOM 0 HO3' DT B 8 15.355 11.655 -1.291 1.00 0.00 H new ATOM 0 H1' DT B 8 15.041 8.843 0.191 1.00 0.00 H new ATOM 0 H3 DT B 8 13.596 6.153 3.564 1.00 0.00 H new ATOM 0 H71 DT B 8 17.704 9.061 5.376 1.00 0.00 H new ATOM 0 H72 DT B 8 16.197 9.522 6.203 1.00 0.00 H new ATOM 0 H73 DT B 8 16.863 7.885 6.413 1.00 0.00 H new ATOM 0 H6 DT B 8 16.849 9.584 3.256 1.00 0.00 H new TER 516 DT B 8