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 14:sc= 0.579 USER MOD Single : A 8 DT C7 :methyl 150:sc= -5.28! (180deg=-5.28!) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 21:sc= 0.623 USER MOD Single : B 8 DT C7 :methyl 150:sc= -5.27! (180deg=-5.27!) USER MOD Single : B 8 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.020 7.619 6.327 1.00 0.00 O ATOM 2 C5' DG A 1 6.209 7.293 7.042 1.00 0.00 C ATOM 3 C4' DG A 1 6.546 5.834 6.853 1.00 0.00 C ATOM 4 O4' DG A 1 7.717 5.446 7.616 1.00 0.00 O ATOM 5 C3' DG A 1 5.434 4.834 7.249 1.00 0.00 C ATOM 6 O3' DG A 1 4.247 4.871 6.428 1.00 0.00 O ATOM 7 C2' DG A 1 6.303 3.619 7.089 1.00 0.00 C ATOM 8 C1' DG A 1 7.376 4.117 8.011 1.00 0.00 C ATOM 9 N9 DG A 1 7.048 4.003 9.421 1.00 0.00 N ATOM 10 C8 DG A 1 6.774 2.815 9.959 1.00 0.00 C ATOM 11 N7 DG A 1 6.394 2.845 11.208 1.00 0.00 N ATOM 12 C5 DG A 1 6.423 4.203 11.508 1.00 0.00 C ATOM 13 C6 DG A 1 6.113 4.882 12.715 1.00 0.00 C ATOM 14 O6 DG A 1 5.737 4.398 13.782 1.00 0.00 O ATOM 15 N1 DG A 1 6.276 6.249 12.591 1.00 0.00 N ATOM 16 C2 DG A 1 6.688 6.890 11.451 1.00 0.00 C ATOM 17 N2 DG A 1 6.818 8.217 11.522 1.00 0.00 N ATOM 18 N3 DG A 1 6.983 6.269 10.306 1.00 0.00 N ATOM 19 C4 DG A 1 6.829 4.936 10.406 1.00 0.00 C ATOM 0 H5' DG A 1 6.076 7.509 8.102 1.00 0.00 H new ATOM 0 H5'' DG A 1 7.034 7.913 6.692 1.00 0.00 H new ATOM 0 H4' DG A 1 6.706 5.771 5.777 1.00 0.00 H new ATOM 0 H3' DG A 1 4.943 4.975 8.212 1.00 0.00 H new ATOM 0 H2' DG A 1 5.832 2.694 7.422 1.00 0.00 H new ATOM 0 H2'' DG A 1 6.643 3.453 6.067 1.00 0.00 H new ATOM 0 HO5' DG A 1 4.560 6.795 6.063 1.00 0.00 H new ATOM 0 H1' DG A 1 8.248 3.471 7.912 1.00 0.00 H new ATOM 0 H8 DG A 1 6.860 1.894 9.402 1.00 0.00 H new ATOM 0 H1 DG A 1 6.075 6.824 13.409 1.00 0.00 H new ATOM 0 H21 DG A 1 7.122 8.744 10.703 1.00 0.00 H new ATOM 0 H22 DG A 1 6.614 8.703 12.395 1.00 0.00 H new ATOM 32 P DA A 2 3.338 3.593 6.009 1.00 0.00 P ATOM 33 OP1 DA A 2 1.936 4.062 5.880 1.00 0.00 O ATOM 34 OP2 DA A 2 3.645 2.461 6.923 1.00 0.00 O ATOM 35 O5' DA A 2 3.857 3.201 4.538 1.00 0.00 O ATOM 36 C5' DA A 2 5.214 3.465 4.204 1.00 0.00 C ATOM 37 C4' DA A 2 5.515 3.378 2.746 1.00 0.00 C ATOM 38 O4' DA A 2 6.729 4.046 2.445 1.00 0.00 O ATOM 39 C3' DA A 2 5.575 2.015 2.089 1.00 0.00 C ATOM 40 O3' DA A 2 4.975 2.070 0.776 1.00 0.00 O ATOM 41 C2' DA A 2 7.067 1.774 2.112 1.00 0.00 C ATOM 42 C1' DA A 2 7.703 3.144 1.933 1.00 0.00 C ATOM 43 N9 DA A 2 8.799 3.414 2.871 1.00 0.00 N ATOM 44 C8 DA A 2 8.931 2.993 4.178 1.00 0.00 C ATOM 45 N7 DA A 2 10.022 3.432 4.751 1.00 0.00 N ATOM 46 C5 DA A 2 10.645 4.180 3.768 1.00 0.00 C ATOM 47 C6 DA A 2 11.842 4.908 3.753 1.00 0.00 C ATOM 48 N6 DA A 2 12.643 5.021 4.822 1.00 0.00 N ATOM 49 N1 DA A 2 12.154 5.525 2.612 1.00 0.00 N ATOM 50 C2 DA A 2 11.342 5.438 1.554 1.00 0.00 C ATOM 51 N3 DA A 2 10.189 4.785 1.449 1.00 0.00 N ATOM 52 C4 DA A 2 9.903 4.175 2.607 1.00 0.00 C ATOM 0 H5' DA A 2 5.851 2.760 4.737 1.00 0.00 H new ATOM 0 H5'' DA A 2 5.476 4.462 4.558 1.00 0.00 H new ATOM 0 H4' DA A 2 4.629 3.851 2.323 1.00 0.00 H new ATOM 0 H3' DA A 2 5.022 1.206 2.567 1.00 0.00 H new ATOM 0 H2' DA A 2 7.376 1.318 3.052 1.00 0.00 H new ATOM 0 H2'' DA A 2 7.367 1.095 1.314 1.00 0.00 H new ATOM 0 H1' DA A 2 8.033 3.221 0.897 1.00 0.00 H new ATOM 0 H8 DA A 2 8.208 2.365 4.677 1.00 0.00 H new ATOM 0 H61 DA A 2 13.505 5.563 4.759 1.00 0.00 H new ATOM 0 H62 DA A 2 12.391 4.565 5.699 1.00 0.00 H new ATOM 0 H2 DA A 2 11.665 5.967 0.669 1.00 0.00 H new ATOM 64 P DG A 3 5.550 1.575 -0.657 1.00 0.00 P ATOM 65 OP1 DG A 3 4.388 1.337 -1.551 1.00 0.00 O ATOM 66 OP2 DG A 3 6.520 0.474 -0.419 1.00 0.00 O ATOM 67 O5' DG A 3 6.359 2.847 -1.230 1.00 0.00 O ATOM 68 C5' DG A 3 6.697 3.080 -2.613 1.00 0.00 C ATOM 69 C4' DG A 3 8.083 2.543 -2.948 1.00 0.00 C ATOM 70 O4' DG A 3 8.952 3.004 -1.919 1.00 0.00 O ATOM 71 C3' DG A 3 8.269 1.037 -2.822 1.00 0.00 C ATOM 72 O3' DG A 3 7.786 0.266 -3.931 1.00 0.00 O ATOM 73 C2' DG A 3 9.770 0.926 -2.634 1.00 0.00 C ATOM 74 C1' DG A 3 10.177 2.333 -2.197 1.00 0.00 C ATOM 75 N9 DG A 3 10.937 2.352 -0.968 1.00 0.00 N ATOM 76 C8 DG A 3 12.035 3.092 -0.668 1.00 0.00 C ATOM 77 N7 DG A 3 12.473 2.898 0.547 1.00 0.00 N ATOM 78 C5 DG A 3 11.596 1.961 1.067 1.00 0.00 C ATOM 79 C6 DG A 3 11.554 1.353 2.334 1.00 0.00 C ATOM 80 O6 DG A 3 12.324 1.565 3.259 1.00 0.00 O ATOM 81 N1 DG A 3 10.503 0.454 2.442 1.00 0.00 N ATOM 82 C2 DG A 3 9.609 0.188 1.433 1.00 0.00 C ATOM 83 N2 DG A 3 8.647 -0.704 1.635 1.00 0.00 N ATOM 84 N3 DG A 3 9.638 0.757 0.242 1.00 0.00 N ATOM 85 C4 DG A 3 10.650 1.621 0.135 1.00 0.00 C ATOM 0 H5' DG A 3 6.660 4.149 -2.823 1.00 0.00 H new ATOM 0 H5'' DG A 3 5.956 2.603 -3.255 1.00 0.00 H new ATOM 0 H4' DG A 3 8.261 2.857 -3.977 1.00 0.00 H new ATOM 0 H3' DG A 3 7.679 0.616 -2.008 1.00 0.00 H new ATOM 0 H2' DG A 3 10.027 0.181 -1.881 1.00 0.00 H new ATOM 0 H2'' DG A 3 10.270 0.631 -3.557 1.00 0.00 H new ATOM 0 H1' DG A 3 10.793 2.781 -2.977 1.00 0.00 H new ATOM 0 H8 DG A 3 12.500 3.773 -1.365 1.00 0.00 H new ATOM 0 H1 DG A 3 10.387 -0.041 3.326 1.00 0.00 H new ATOM 0 H21 DG A 3 7.978 -0.909 0.893 1.00 0.00 H new ATOM 0 H22 DG A 3 8.577 -1.184 2.532 1.00 0.00 H new ATOM 97 P DC A 4 8.214 0.580 -5.454 1.00 0.00 P ATOM 98 OP1 DC A 4 7.720 1.930 -5.827 1.00 0.00 O ATOM 99 OP2 DC A 4 7.864 -0.595 -6.291 1.00 0.00 O ATOM 100 O5' DC A 4 9.801 0.628 -5.306 1.00 0.00 O ATOM 101 C5' DC A 4 10.709 1.567 -5.877 1.00 0.00 C ATOM 102 C4' DC A 4 12.094 1.322 -5.291 1.00 0.00 C ATOM 103 O4' DC A 4 12.323 1.678 -3.897 1.00 0.00 O ATOM 104 C3' DC A 4 12.379 -0.167 -5.174 1.00 0.00 C ATOM 105 O3' DC A 4 12.374 -1.106 -6.246 1.00 0.00 O ATOM 106 C2' DC A 4 13.538 -0.250 -4.210 1.00 0.00 C ATOM 107 C1' DC A 4 13.583 1.097 -3.458 1.00 0.00 C ATOM 108 N1 DC A 4 13.669 0.758 -2.020 1.00 0.00 N ATOM 109 C2 DC A 4 14.698 1.198 -1.160 1.00 0.00 C ATOM 110 O2 DC A 4 15.612 1.951 -1.502 1.00 0.00 O ATOM 111 N3 DC A 4 14.680 0.761 0.121 1.00 0.00 N ATOM 112 C4 DC A 4 13.716 -0.060 0.550 1.00 0.00 C ATOM 113 N4 DC A 4 13.732 -0.464 1.814 1.00 0.00 N ATOM 114 C5 DC A 4 12.685 -0.501 -0.305 1.00 0.00 C ATOM 115 C6 DC A 4 12.700 -0.074 -1.549 1.00 0.00 C ATOM 0 H5' DC A 4 10.383 2.585 -5.665 1.00 0.00 H new ATOM 0 H5'' DC A 4 10.733 1.459 -6.961 1.00 0.00 H new ATOM 0 H4' DC A 4 12.689 1.927 -5.975 1.00 0.00 H new ATOM 0 H3' DC A 4 11.431 -0.603 -4.860 1.00 0.00 H new ATOM 0 H2' DC A 4 13.405 -1.078 -3.514 1.00 0.00 H new ATOM 0 H2'' DC A 4 14.473 -0.428 -4.742 1.00 0.00 H new ATOM 0 H1' DC A 4 14.406 1.788 -3.638 1.00 0.00 H new ATOM 0 H41 DC A 4 13.004 -1.090 2.158 1.00 0.00 H new ATOM 0 H42 DC A 4 14.472 -0.148 2.441 1.00 0.00 H new ATOM 0 H5 DC A 4 11.911 -1.166 0.049 1.00 0.00 H new ATOM 0 H6 DC A 4 11.917 -0.395 -2.220 1.00 0.00 H new ATOM 127 P DA A 5 11.288 -2.317 -6.345 1.00 0.00 P ATOM 128 OP1 DA A 5 12.047 -3.592 -6.395 1.00 0.00 O ATOM 129 OP2 DA A 5 10.402 -1.979 -7.487 1.00 0.00 O ATOM 130 O5' DA A 5 10.325 -2.367 -5.030 1.00 0.00 O ATOM 131 C5' DA A 5 10.639 -2.509 -3.628 1.00 0.00 C ATOM 132 C4' DA A 5 10.924 -3.918 -3.133 1.00 0.00 C ATOM 133 O4' DA A 5 12.023 -4.531 -3.840 1.00 0.00 O ATOM 134 C3' DA A 5 11.304 -4.071 -1.677 1.00 0.00 C ATOM 135 O3' DA A 5 11.079 -5.345 -1.042 1.00 0.00 O ATOM 136 C2' DA A 5 12.749 -3.727 -1.704 1.00 0.00 C ATOM 137 C1' DA A 5 13.182 -4.417 -2.985 1.00 0.00 C ATOM 138 N9 DA A 5 14.273 -3.658 -3.605 1.00 0.00 N ATOM 139 C8 DA A 5 14.506 -3.330 -4.915 1.00 0.00 C ATOM 140 N7 DA A 5 15.614 -2.649 -5.096 1.00 0.00 N ATOM 141 C5 DA A 5 16.140 -2.524 -3.815 1.00 0.00 C ATOM 142 C6 DA A 5 17.295 -1.913 -3.296 1.00 0.00 C ATOM 143 N6 DA A 5 18.196 -1.272 -4.047 1.00 0.00 N ATOM 144 N1 DA A 5 17.491 -1.988 -1.967 1.00 0.00 N ATOM 145 C2 DA A 5 16.589 -2.630 -1.208 1.00 0.00 C ATOM 146 N3 DA A 5 15.480 -3.235 -1.584 1.00 0.00 N ATOM 147 C4 DA A 5 15.319 -3.141 -2.904 1.00 0.00 C ATOM 0 H5' DA A 5 9.807 -2.107 -3.050 1.00 0.00 H new ATOM 0 H5'' DA A 5 11.508 -1.889 -3.409 1.00 0.00 H new ATOM 0 H4' DA A 5 9.956 -4.388 -3.306 1.00 0.00 H new ATOM 0 H3' DA A 5 10.660 -3.443 -1.062 1.00 0.00 H new ATOM 0 H2' DA A 5 12.917 -2.651 -1.737 1.00 0.00 H new ATOM 0 H2'' DA A 5 13.280 -4.106 -0.831 1.00 0.00 H new ATOM 0 H1' DA A 5 13.567 -5.419 -2.794 1.00 0.00 H new ATOM 0 H8 DA A 5 13.842 -3.605 -5.721 1.00 0.00 H new ATOM 0 H61 DA A 5 19.015 -0.848 -3.611 1.00 0.00 H new ATOM 0 H62 DA A 5 18.065 -1.206 -5.056 1.00 0.00 H new ATOM 0 H2 DA A 5 16.800 -2.654 -0.149 1.00 0.00 H new ATOM 159 P DG A 6 11.160 -6.852 -1.636 1.00 0.00 P ATOM 160 OP1 DG A 6 12.377 -7.496 -1.081 1.00 0.00 O ATOM 161 OP2 DG A 6 10.945 -6.831 -3.104 1.00 0.00 O ATOM 162 O5' DG A 6 9.873 -7.559 -0.977 1.00 0.00 O ATOM 163 C5' DG A 6 8.635 -6.846 -0.967 1.00 0.00 C ATOM 164 C4' DG A 6 8.255 -6.456 0.449 1.00 0.00 C ATOM 165 O4' DG A 6 9.399 -6.020 1.206 1.00 0.00 O ATOM 166 C3' DG A 6 7.212 -5.330 0.509 1.00 0.00 C ATOM 167 O3' DG A 6 6.217 -5.322 1.542 1.00 0.00 O ATOM 168 C2' DG A 6 8.163 -4.238 0.904 1.00 0.00 C ATOM 169 C1' DG A 6 9.003 -4.917 2.016 1.00 0.00 C ATOM 170 N9 DG A 6 10.202 -4.167 2.393 1.00 0.00 N ATOM 171 C8 DG A 6 10.794 -3.301 1.547 1.00 0.00 C ATOM 172 N7 DG A 6 11.821 -2.686 2.009 1.00 0.00 N ATOM 173 C5 DG A 6 11.927 -3.184 3.286 1.00 0.00 C ATOM 174 C6 DG A 6 12.873 -2.859 4.243 1.00 0.00 C ATOM 175 O6 DG A 6 13.774 -2.059 4.070 1.00 0.00 O ATOM 176 N1 DG A 6 12.702 -3.533 5.424 1.00 0.00 N ATOM 177 C2 DG A 6 11.708 -4.442 5.660 1.00 0.00 C ATOM 178 N2 DG A 6 11.730 -4.976 6.895 1.00 0.00 N ATOM 179 N3 DG A 6 10.770 -4.782 4.744 1.00 0.00 N ATOM 180 C4 DG A 6 10.941 -4.111 3.574 1.00 0.00 C ATOM 0 H5' DG A 6 7.850 -7.464 -1.403 1.00 0.00 H new ATOM 0 H5'' DG A 6 8.719 -5.953 -1.586 1.00 0.00 H new ATOM 0 H4' DG A 6 7.829 -7.363 0.878 1.00 0.00 H new ATOM 0 H3' DG A 6 6.615 -5.330 -0.403 1.00 0.00 H new ATOM 0 H2' DG A 6 8.782 -3.915 0.067 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.639 -3.356 1.272 1.00 0.00 H new ATOM 0 H1' DG A 6 8.491 -5.079 2.964 1.00 0.00 H new ATOM 0 H8 DG A 6 10.428 -3.135 0.545 1.00 0.00 H new ATOM 0 H1 DG A 6 13.361 -3.344 6.179 1.00 0.00 H new ATOM 0 H21 DG A 6 11.028 -5.665 7.165 1.00 0.00 H new ATOM 0 H22 DG A 6 12.449 -4.692 7.561 1.00 0.00 H new ATOM 192 P DG A 7 5.478 -6.601 2.162 1.00 0.00 P ATOM 193 OP1 DG A 7 5.387 -7.652 1.116 1.00 0.00 O ATOM 194 OP2 DG A 7 4.244 -6.136 2.847 1.00 0.00 O ATOM 195 O5' DG A 7 6.541 -7.079 3.261 1.00 0.00 O ATOM 196 C5' DG A 7 6.240 -7.494 4.594 1.00 0.00 C ATOM 197 C4' DG A 7 6.251 -6.335 5.580 1.00 0.00 C ATOM 198 O4' DG A 7 7.494 -5.594 5.455 1.00 0.00 O ATOM 199 C3' DG A 7 5.149 -5.252 5.542 1.00 0.00 C ATOM 200 O3' DG A 7 4.875 -4.815 6.879 1.00 0.00 O ATOM 201 C2' DG A 7 5.965 -4.142 4.885 1.00 0.00 C ATOM 202 C1' DG A 7 7.197 -4.234 5.793 1.00 0.00 C ATOM 203 N9 DG A 7 8.177 -3.225 5.396 1.00 0.00 N ATOM 204 C8 DG A 7 8.290 -2.633 4.170 1.00 0.00 C ATOM 205 N7 DG A 7 9.219 -1.735 4.118 1.00 0.00 N ATOM 206 C5 DG A 7 9.762 -1.721 5.374 1.00 0.00 C ATOM 207 C6 DG A 7 10.807 -0.930 5.864 1.00 0.00 C ATOM 208 O6 DG A 7 11.418 -0.090 5.213 1.00 0.00 O ATOM 209 N1 DG A 7 11.082 -1.200 7.191 1.00 0.00 N ATOM 210 C2 DG A 7 10.402 -2.138 7.941 1.00 0.00 C ATOM 211 N2 DG A 7 10.752 -2.307 9.217 1.00 0.00 N ATOM 212 N3 DG A 7 9.400 -2.896 7.480 1.00 0.00 N ATOM 213 C4 DG A 7 9.135 -2.635 6.191 1.00 0.00 C ATOM 0 H5' DG A 7 6.965 -8.243 4.911 1.00 0.00 H new ATOM 0 H5'' DG A 7 5.260 -7.972 4.610 1.00 0.00 H new ATOM 0 H4' DG A 7 6.085 -6.884 6.507 1.00 0.00 H new ATOM 0 H3' DG A 7 4.210 -5.547 5.073 1.00 0.00 H new ATOM 0 H2' DG A 7 6.191 -4.340 3.837 1.00 0.00 H new ATOM 0 H2'' DG A 7 5.475 -3.169 4.927 1.00 0.00 H new ATOM 0 H1' DG A 7 7.125 -4.040 6.863 1.00 0.00 H new ATOM 0 H8 DG A 7 7.665 -2.890 3.327 1.00 0.00 H new ATOM 0 H1 DG A 7 11.831 -0.675 7.643 1.00 0.00 H new ATOM 0 H21 DG A 7 10.265 -2.994 9.793 1.00 0.00 H new ATOM 0 H22 DG A 7 11.507 -1.749 9.617 1.00 0.00 H new ATOM 225 P DT A 8 3.440 -4.676 7.573 1.00 0.00 P ATOM 226 OP1 DT A 8 2.813 -6.021 7.636 1.00 0.00 O ATOM 227 OP2 DT A 8 2.706 -3.548 6.944 1.00 0.00 O ATOM 228 O5' DT A 8 3.885 -4.236 9.055 1.00 0.00 O ATOM 229 C5' DT A 8 4.543 -5.196 9.881 1.00 0.00 C ATOM 230 C4' DT A 8 5.401 -4.608 10.989 1.00 0.00 C ATOM 231 O4' DT A 8 6.569 -3.910 10.539 1.00 0.00 O ATOM 232 C3' DT A 8 4.829 -3.759 12.117 1.00 0.00 C ATOM 233 O3' DT A 8 5.576 -3.870 13.314 1.00 0.00 O ATOM 234 C2' DT A 8 5.041 -2.409 11.514 1.00 0.00 C ATOM 235 C1' DT A 8 6.451 -2.538 10.945 1.00 0.00 C ATOM 236 N1 DT A 8 6.666 -1.784 9.704 1.00 0.00 N ATOM 237 C2 DT A 8 7.793 -1.005 9.517 1.00 0.00 C ATOM 238 O2 DT A 8 8.668 -0.893 10.374 1.00 0.00 O ATOM 239 N3 DT A 8 7.857 -0.354 8.296 1.00 0.00 N ATOM 240 C4 DT A 8 6.932 -0.402 7.281 1.00 0.00 C ATOM 241 O4 DT A 8 7.112 0.227 6.239 1.00 0.00 O ATOM 242 C5 DT A 8 5.792 -1.234 7.565 1.00 0.00 C ATOM 243 C7 DT A 8 4.663 -1.372 6.581 1.00 0.00 C ATOM 244 C6 DT A 8 5.722 -1.869 8.730 1.00 0.00 C ATOM 0 H5' DT A 8 5.171 -5.826 9.251 1.00 0.00 H new ATOM 0 H5'' DT A 8 3.790 -5.844 10.330 1.00 0.00 H new ATOM 0 H4' DT A 8 5.587 -5.584 11.438 1.00 0.00 H new ATOM 0 H3' DT A 8 3.811 -4.020 12.408 1.00 0.00 H new ATOM 0 H2' DT A 8 4.307 -2.187 10.740 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.971 -1.614 12.257 1.00 0.00 H new ATOM 0 HO3' DT A 8 5.171 -3.306 14.006 1.00 0.00 H new ATOM 0 H1' DT A 8 7.148 -2.180 11.702 1.00 0.00 H new ATOM 0 H3 DT A 8 8.681 0.224 8.132 1.00 0.00 H new ATOM 0 H71 DT A 8 4.209 -2.357 6.684 1.00 0.00 H new ATOM 0 H72 DT A 8 3.914 -0.605 6.777 1.00 0.00 H new ATOM 0 H73 DT A 8 5.047 -1.254 5.568 1.00 0.00 H new ATOM 0 H6 DT A 8 4.860 -2.493 8.915 1.00 0.00 H new TER 258 DT A 8 ATOM 259 O5' DG B 1 9.101 9.275 9.830 1.00 0.00 O ATOM 260 C5' DG B 1 8.743 8.545 8.660 1.00 0.00 C ATOM 261 C4' DG B 1 9.980 8.007 7.981 1.00 0.00 C ATOM 262 O4' DG B 1 9.660 7.308 6.751 1.00 0.00 O ATOM 263 C3' DG B 1 11.048 9.059 7.604 1.00 0.00 C ATOM 264 O3' DG B 1 11.698 9.709 8.717 1.00 0.00 O ATOM 265 C2' DG B 1 11.895 8.096 6.821 1.00 0.00 C ATOM 266 C1' DG B 1 10.773 7.655 5.928 1.00 0.00 C ATOM 267 N9 DG B 1 10.441 8.602 4.877 1.00 0.00 N ATOM 268 C8 DG B 1 11.359 8.971 3.983 1.00 0.00 C ATOM 269 N7 DG B 1 10.976 9.901 3.150 1.00 0.00 N ATOM 270 C5 DG B 1 9.671 10.162 3.553 1.00 0.00 C ATOM 271 C6 DG B 1 8.718 11.081 3.039 1.00 0.00 C ATOM 272 O6 DG B 1 8.853 11.867 2.101 1.00 0.00 O ATOM 273 N1 DG B 1 7.525 11.024 3.732 1.00 0.00 N ATOM 274 C2 DG B 1 7.270 10.189 4.789 1.00 0.00 C ATOM 275 N2 DG B 1 6.047 10.249 5.321 1.00 0.00 N ATOM 276 N3 DG B 1 8.153 9.319 5.289 1.00 0.00 N ATOM 277 C4 DG B 1 9.323 9.360 4.626 1.00 0.00 C ATOM 0 H5' DG B 1 8.194 9.190 7.974 1.00 0.00 H new ATOM 0 H5'' DG B 1 8.078 7.723 8.925 1.00 0.00 H new ATOM 0 H4' DG B 1 10.394 7.348 8.744 1.00 0.00 H new ATOM 0 H3' DG B 1 10.713 9.961 7.092 1.00 0.00 H new ATOM 0 H2' DG B 1 12.721 8.568 6.290 1.00 0.00 H new ATOM 0 H2'' DG B 1 12.320 7.293 7.423 1.00 0.00 H new ATOM 0 HO5' DG B 1 10.036 9.561 9.764 1.00 0.00 H new ATOM 0 H1' DG B 1 11.098 6.778 5.368 1.00 0.00 H new ATOM 0 H8 DG B 1 12.346 8.533 3.950 1.00 0.00 H new ATOM 0 H1 DG B 1 6.777 11.651 3.435 1.00 0.00 H new ATOM 0 H21 DG B 1 5.804 9.649 6.109 1.00 0.00 H new ATOM 0 H22 DG B 1 5.356 10.895 4.939 1.00 0.00 H new ATOM 290 P DA B 2 13.254 10.167 8.776 1.00 0.00 P ATOM 291 OP1 DA B 2 13.333 11.378 9.631 1.00 0.00 O ATOM 292 OP2 DA B 2 13.797 10.216 7.394 1.00 0.00 O ATOM 293 O5' DA B 2 13.992 8.971 9.561 1.00 0.00 O ATOM 294 C5' DA B 2 13.465 7.656 9.442 1.00 0.00 C ATOM 295 C4' DA B 2 13.999 6.688 10.444 1.00 0.00 C ATOM 296 O4' DA B 2 13.152 5.555 10.548 1.00 0.00 O ATOM 297 C3' DA B 2 15.416 6.179 10.286 1.00 0.00 C ATOM 298 O3' DA B 2 16.056 6.082 11.578 1.00 0.00 O ATOM 299 C2' DA B 2 15.152 4.862 9.593 1.00 0.00 C ATOM 300 C1' DA B 2 13.828 4.366 10.154 1.00 0.00 C ATOM 301 N9 DA B 2 12.893 3.885 9.131 1.00 0.00 N ATOM 302 C8 DA B 2 12.721 4.350 7.842 1.00 0.00 C ATOM 303 N7 DA B 2 11.780 3.719 7.192 1.00 0.00 N ATOM 304 C5 DA B 2 11.306 2.786 8.095 1.00 0.00 C ATOM 305 C6 DA B 2 10.304 1.811 8.005 1.00 0.00 C ATOM 306 N6 DA B 2 9.551 1.638 6.910 1.00 0.00 N ATOM 307 N1 DA B 2 10.100 1.058 9.089 1.00 0.00 N ATOM 308 C2 DA B 2 10.834 1.251 10.190 1.00 0.00 C ATOM 309 N3 DA B 2 11.804 2.137 10.394 1.00 0.00 N ATOM 310 C4 DA B 2 11.985 2.875 9.290 1.00 0.00 C ATOM 0 H5' DA B 2 13.679 7.280 8.441 1.00 0.00 H new ATOM 0 H5'' DA B 2 12.380 7.701 9.540 1.00 0.00 H new ATOM 0 H4' DA B 2 14.023 7.308 11.340 1.00 0.00 H new ATOM 0 H3' DA B 2 16.110 6.805 9.725 1.00 0.00 H new ATOM 0 H2' DA B 2 15.096 4.991 8.512 1.00 0.00 H new ATOM 0 H2'' DA B 2 15.953 4.149 9.788 1.00 0.00 H new ATOM 0 H1' DA B 2 14.053 3.592 10.887 1.00 0.00 H new ATOM 0 H8 DA B 2 13.304 5.153 7.415 1.00 0.00 H new ATOM 0 H61 DA B 2 8.833 0.913 6.894 1.00 0.00 H new ATOM 0 H62 DA B 2 9.696 2.231 6.093 1.00 0.00 H new ATOM 0 H2 DA B 2 10.609 0.602 11.023 1.00 0.00 H new ATOM 322 P DG B 3 16.850 4.843 12.262 1.00 0.00 P ATOM 323 OP1 DG B 3 17.760 5.407 13.291 1.00 0.00 O ATOM 324 OP2 DG B 3 17.416 3.995 11.181 1.00 0.00 O ATOM 325 O5' DG B 3 15.708 4.000 13.023 1.00 0.00 O ATOM 326 C5' DG B 3 15.923 3.068 14.104 1.00 0.00 C ATOM 327 C4' DG B 3 16.084 1.644 13.591 1.00 0.00 C ATOM 328 O4' DG B 3 15.021 1.424 12.672 1.00 0.00 O ATOM 329 C3' DG B 3 17.289 1.383 12.699 1.00 0.00 C ATOM 330 O3' DG B 3 18.534 1.193 13.389 1.00 0.00 O ATOM 331 C2' DG B 3 16.846 0.150 11.934 1.00 0.00 C ATOM 332 C1' DG B 3 15.328 0.152 12.111 1.00 0.00 C ATOM 333 N9 DG B 3 14.606 0.078 10.860 1.00 0.00 N ATOM 334 C8 DG B 3 13.504 -0.659 10.566 1.00 0.00 C ATOM 335 N7 DG B 3 13.074 -0.482 9.345 1.00 0.00 N ATOM 336 C5 DG B 3 13.968 0.432 8.811 1.00 0.00 C ATOM 337 C6 DG B 3 14.029 1.009 7.531 1.00 0.00 C ATOM 338 O6 DG B 3 13.252 0.799 6.612 1.00 0.00 O ATOM 339 N1 DG B 3 15.100 1.882 7.408 1.00 0.00 N ATOM 340 C2 DG B 3 15.994 2.153 8.415 1.00 0.00 C ATOM 341 N2 DG B 3 16.996 2.995 8.187 1.00 0.00 N ATOM 342 N3 DG B 3 15.942 1.619 9.622 1.00 0.00 N ATOM 343 C4 DG B 3 14.914 0.777 9.742 1.00 0.00 C ATOM 0 H5' DG B 3 15.083 3.113 14.797 1.00 0.00 H new ATOM 0 H5'' DG B 3 16.813 3.357 14.663 1.00 0.00 H new ATOM 0 H4' DG B 3 16.146 1.032 14.491 1.00 0.00 H new ATOM 0 H3' DG B 3 17.530 2.243 12.074 1.00 0.00 H new ATOM 0 H2' DG B 3 17.128 0.206 10.883 1.00 0.00 H new ATOM 0 H2'' DG B 3 17.297 -0.757 12.337 1.00 0.00 H new ATOM 0 H1' DG B 3 15.042 -0.711 12.713 1.00 0.00 H new ATOM 0 H8 DG B 3 13.030 -1.325 11.271 1.00 0.00 H new ATOM 0 H1 DG B 3 15.232 2.353 6.513 1.00 0.00 H new ATOM 0 H21 DG B 3 17.666 3.203 8.928 1.00 0.00 H new ATOM 0 H22 DG B 3 17.096 3.433 7.271 1.00 0.00 H new ATOM 355 P DC B 4 18.704 0.126 14.586 1.00 0.00 P ATOM 356 OP1 DC B 4 17.824 0.522 15.716 1.00 0.00 O ATOM 357 OP2 DC B 4 20.155 -0.091 14.817 1.00 0.00 O ATOM 358 O5' DC B 4 18.111 -1.182 13.896 1.00 0.00 O ATOM 359 C5' DC B 4 17.225 -2.148 14.460 1.00 0.00 C ATOM 360 C4' DC B 4 16.783 -3.102 13.357 1.00 0.00 C ATOM 361 O4' DC B 4 15.871 -2.601 12.337 1.00 0.00 O ATOM 362 C3' DC B 4 17.946 -3.453 12.442 1.00 0.00 C ATOM 363 O3' DC B 4 19.172 -4.058 12.842 1.00 0.00 O ATOM 364 C2' DC B 4 17.289 -4.013 11.204 1.00 0.00 C ATOM 365 C1' DC B 4 15.816 -3.552 11.238 1.00 0.00 C ATOM 366 N1 DC B 4 15.538 -2.977 9.901 1.00 0.00 N ATOM 367 C2 DC B 4 14.506 -3.417 9.043 1.00 0.00 C ATOM 368 O2 DC B 4 13.691 -4.298 9.327 1.00 0.00 O ATOM 369 N3 DC B 4 14.409 -2.834 7.826 1.00 0.00 N ATOM 370 C4 DC B 4 15.263 -1.876 7.455 1.00 0.00 C ATOM 371 N4 DC B 4 15.131 -1.328 6.254 1.00 0.00 N ATOM 372 C5 DC B 4 16.293 -1.432 8.308 1.00 0.00 C ATOM 373 C6 DC B 4 16.388 -1.995 9.494 1.00 0.00 C ATOM 0 H5' DC B 4 16.360 -1.655 14.903 1.00 0.00 H new ATOM 0 H5'' DC B 4 17.723 -2.698 15.259 1.00 0.00 H new ATOM 0 H4' DC B 4 16.330 -3.883 13.968 1.00 0.00 H new ATOM 0 H3' DC B 4 18.505 -2.523 12.340 1.00 0.00 H new ATOM 0 H2' DC B 4 17.787 -3.652 10.304 1.00 0.00 H new ATOM 0 H2'' DC B 4 17.354 -5.101 11.190 1.00 0.00 H new ATOM 0 H1' DC B 4 15.025 -4.283 11.404 1.00 0.00 H new ATOM 0 H41 DC B 4 15.774 -0.595 5.954 1.00 0.00 H new ATOM 0 H42 DC B 4 14.386 -1.639 5.630 1.00 0.00 H new ATOM 0 H5 DC B 4 16.980 -0.658 8.000 1.00 0.00 H new ATOM 0 H6 DC B 4 17.167 -1.667 10.167 1.00 0.00 H new ATOM 385 P DA B 5 20.604 -3.286 12.747 1.00 0.00 P ATOM 386 OP1 DA B 5 21.496 -4.106 11.890 1.00 0.00 O ATOM 387 OP2 DA B 5 21.020 -3.022 14.148 1.00 0.00 O ATOM 388 O5' DA B 5 20.450 -1.823 12.042 1.00 0.00 O ATOM 389 C5' DA B 5 19.943 -1.444 10.745 1.00 0.00 C ATOM 390 C4' DA B 5 20.892 -1.606 9.569 1.00 0.00 C ATOM 391 O4' DA B 5 21.351 -2.966 9.422 1.00 0.00 O ATOM 392 C3' DA B 5 20.355 -1.258 8.199 1.00 0.00 C ATOM 393 O3' DA B 5 21.292 -0.893 7.167 1.00 0.00 O ATOM 394 C2' DA B 5 19.612 -2.496 7.844 1.00 0.00 C ATOM 395 C1' DA B 5 20.565 -3.557 8.364 1.00 0.00 C ATOM 396 N9 DA B 5 19.798 -4.725 8.812 1.00 0.00 N ATOM 397 C8 DA B 5 19.936 -5.518 9.920 1.00 0.00 C ATOM 398 N7 DA B 5 19.066 -6.500 9.974 1.00 0.00 N ATOM 399 C5 DA B 5 18.306 -6.335 8.822 1.00 0.00 C ATOM 400 C6 DA B 5 17.217 -7.030 8.270 1.00 0.00 C ATOM 401 N6 DA B 5 16.661 -8.107 8.836 1.00 0.00 N ATOM 402 N1 DA B 5 16.716 -6.575 7.107 1.00 0.00 N ATOM 403 C2 DA B 5 17.269 -5.494 6.536 1.00 0.00 C ATOM 404 N3 DA B 5 18.285 -4.769 6.959 1.00 0.00 N ATOM 405 C4 DA B 5 18.755 -5.250 8.112 1.00 0.00 C ATOM 0 H5' DA B 5 19.634 -0.400 10.792 1.00 0.00 H new ATOM 0 H5'' DA B 5 19.048 -2.033 10.544 1.00 0.00 H new ATOM 0 H4' DA B 5 21.670 -0.894 9.844 1.00 0.00 H new ATOM 0 H3' DA B 5 19.778 -0.335 8.255 1.00 0.00 H new ATOM 0 H2' DA B 5 18.636 -2.545 8.326 1.00 0.00 H new ATOM 0 H2'' DA B 5 19.442 -2.583 6.771 1.00 0.00 H new ATOM 0 H1' DA B 5 21.244 -3.906 7.586 1.00 0.00 H new ATOM 0 H8 DA B 5 20.688 -5.352 10.677 1.00 0.00 H new ATOM 0 H61 DA B 5 15.871 -8.569 8.386 1.00 0.00 H new ATOM 0 H62 DA B 5 17.027 -8.466 9.718 1.00 0.00 H new ATOM 0 H2 DA B 5 16.822 -5.176 5.606 1.00 0.00 H new ATOM 417 P DG B 6 22.804 -1.406 6.884 1.00 0.00 P ATOM 418 OP1 DG B 6 22.774 -2.271 5.677 1.00 0.00 O ATOM 419 OP2 DG B 6 23.411 -1.917 8.138 1.00 0.00 O ATOM 420 O5' DG B 6 23.573 -0.043 6.506 1.00 0.00 O ATOM 421 C5' DG B 6 23.335 1.118 7.304 1.00 0.00 C ATOM 422 C4' DG B 6 22.578 2.165 6.512 1.00 0.00 C ATOM 423 O4' DG B 6 21.552 1.574 5.691 1.00 0.00 O ATOM 424 C3' DG B 6 21.900 3.222 7.397 1.00 0.00 C ATOM 425 O3' DG B 6 21.812 4.585 6.954 1.00 0.00 O ATOM 426 C2' DG B 6 20.502 2.696 7.250 1.00 0.00 C ATOM 427 C1' DG B 6 20.408 2.422 5.729 1.00 0.00 C ATOM 428 N9 DG B 6 19.237 1.634 5.341 1.00 0.00 N ATOM 429 C8 DG B 6 18.619 0.805 6.204 1.00 0.00 C ATOM 430 N7 DG B 6 17.587 0.195 5.747 1.00 0.00 N ATOM 431 C5 DG B 6 17.503 0.659 4.457 1.00 0.00 C ATOM 432 C6 DG B 6 16.560 0.324 3.499 1.00 0.00 C ATOM 433 O6 DG B 6 15.647 -0.460 3.680 1.00 0.00 O ATOM 434 N1 DG B 6 16.754 0.967 2.303 1.00 0.00 N ATOM 435 C2 DG B 6 17.766 1.851 2.054 1.00 0.00 C ATOM 436 N2 DG B 6 17.759 2.366 0.813 1.00 0.00 N ATOM 437 N3 DG B 6 18.703 2.196 2.969 1.00 0.00 N ATOM 438 C4 DG B 6 18.508 1.558 4.155 1.00 0.00 C ATOM 0 H5' DG B 6 24.284 1.530 7.648 1.00 0.00 H new ATOM 0 H5'' DG B 6 22.766 0.845 8.192 1.00 0.00 H new ATOM 0 H4' DG B 6 23.339 2.646 5.897 1.00 0.00 H new ATOM 0 H3' DG B 6 22.432 3.308 8.345 1.00 0.00 H new ATOM 0 H2' DG B 6 20.345 1.791 7.836 1.00 0.00 H new ATOM 0 H2'' DG B 6 19.758 3.422 7.579 1.00 0.00 H new ATOM 0 H1' DG B 6 20.349 3.304 5.092 1.00 0.00 H new ATOM 0 H8 DG B 6 18.970 0.663 7.216 1.00 0.00 H new ATOM 0 H1 DG B 6 16.097 0.772 1.547 1.00 0.00 H new ATOM 0 H21 DG B 6 18.476 3.035 0.535 1.00 0.00 H new ATOM 0 H22 DG B 6 17.036 2.087 0.149 1.00 0.00 H new ATOM 450 P DG B 7 22.922 5.390 6.126 1.00 0.00 P ATOM 451 OP1 DG B 7 24.262 4.860 6.484 1.00 0.00 O ATOM 452 OP2 DG B 7 22.643 6.842 6.270 1.00 0.00 O ATOM 453 O5' DG B 7 22.589 4.936 4.627 1.00 0.00 O ATOM 454 C5' DG B 7 22.538 5.791 3.483 1.00 0.00 C ATOM 455 C4' DG B 7 21.151 6.374 3.254 1.00 0.00 C ATOM 456 O4' DG B 7 20.165 5.308 3.244 1.00 0.00 O ATOM 457 C3' DG B 7 20.567 7.431 4.219 1.00 0.00 C ATOM 458 O3' DG B 7 19.764 8.355 3.471 1.00 0.00 O ATOM 459 C2' DG B 7 19.593 6.523 4.966 1.00 0.00 C ATOM 460 C1' DG B 7 18.945 5.871 3.741 1.00 0.00 C ATOM 461 N9 DG B 7 17.912 4.933 4.172 1.00 0.00 N ATOM 462 C8 DG B 7 17.826 4.312 5.386 1.00 0.00 C ATOM 463 N7 DG B 7 16.772 3.572 5.509 1.00 0.00 N ATOM 464 C5 DG B 7 16.113 3.699 4.317 1.00 0.00 C ATOM 465 C6 DG B 7 14.911 3.106 3.917 1.00 0.00 C ATOM 466 O6 DG B 7 14.237 2.351 4.608 1.00 0.00 O ATOM 467 N1 DG B 7 14.556 3.470 2.633 1.00 0.00 N ATOM 468 C2 DG B 7 15.301 4.323 1.842 1.00 0.00 C ATOM 469 N2 DG B 7 14.856 4.609 0.618 1.00 0.00 N ATOM 470 N3 DG B 7 16.450 4.896 2.220 1.00 0.00 N ATOM 471 C4 DG B 7 16.795 4.539 3.467 1.00 0.00 C ATOM 0 H5' DG B 7 22.843 5.230 2.600 1.00 0.00 H new ATOM 0 H5'' DG B 7 23.254 6.603 3.608 1.00 0.00 H new ATOM 0 H4' DG B 7 21.328 6.903 2.317 1.00 0.00 H new ATOM 0 H3' DG B 7 21.295 7.995 4.802 1.00 0.00 H new ATOM 0 H2' DG B 7 20.092 5.806 5.618 1.00 0.00 H new ATOM 0 H2'' DG B 7 18.883 7.074 5.583 1.00 0.00 H new ATOM 0 H1' DG B 7 18.393 6.465 3.013 1.00 0.00 H new ATOM 0 H8 DG B 7 18.565 4.427 6.165 1.00 0.00 H new ATOM 0 H1 DG B 7 13.694 3.087 2.246 1.00 0.00 H new ATOM 0 H21 DG B 7 15.389 5.236 0.015 1.00 0.00 H new ATOM 0 H22 DG B 7 13.983 4.200 0.284 1.00 0.00 H new ATOM 483 P DT B 8 19.828 9.953 3.528 1.00 0.00 P ATOM 484 OP1 DT B 8 21.172 10.387 3.065 1.00 0.00 O ATOM 485 OP2 DT B 8 19.315 10.412 4.843 1.00 0.00 O ATOM 486 O5' DT B 8 18.744 10.317 2.396 1.00 0.00 O ATOM 487 C5' DT B 8 19.060 10.036 1.034 1.00 0.00 C ATOM 488 C4' DT B 8 17.860 9.878 0.116 1.00 0.00 C ATOM 489 O4' DT B 8 17.058 8.718 0.369 1.00 0.00 O ATOM 490 C3' DT B 8 16.871 11.004 -0.155 1.00 0.00 C ATOM 491 O3' DT B 8 16.280 10.912 -1.438 1.00 0.00 O ATOM 492 C2' DT B 8 15.858 10.674 0.892 1.00 0.00 C ATOM 493 C1' DT B 8 15.746 9.159 0.751 1.00 0.00 C ATOM 494 N1 DT B 8 15.494 8.459 2.017 1.00 0.00 N ATOM 495 C2 DT B 8 14.535 7.469 2.116 1.00 0.00 C ATOM 496 O2 DT B 8 13.838 7.125 1.163 1.00 0.00 O ATOM 497 N3 DT B 8 14.413 6.900 3.373 1.00 0.00 N ATOM 498 C4 DT B 8 15.128 7.217 4.501 1.00 0.00 C ATOM 499 O4 DT B 8 14.919 6.630 5.562 1.00 0.00 O ATOM 500 C5 DT B 8 16.101 8.260 4.305 1.00 0.00 C ATOM 501 C7 DT B 8 16.947 8.761 5.442 1.00 0.00 C ATOM 502 C6 DT B 8 16.233 8.810 3.101 1.00 0.00 C ATOM 0 H5' DT B 8 19.651 9.121 0.995 1.00 0.00 H new ATOM 0 H5'' DT B 8 19.689 10.839 0.650 1.00 0.00 H new ATOM 0 H4' DT B 8 18.482 9.828 -0.778 1.00 0.00 H new ATOM 0 H3' DT B 8 17.306 12.003 -0.128 1.00 0.00 H new ATOM 0 H2' DT B 8 16.189 10.969 1.888 1.00 0.00 H new ATOM 0 H2'' DT B 8 14.906 11.173 0.711 1.00 0.00 H new ATOM 0 HO3' DT B 8 15.653 11.655 -1.563 1.00 0.00 H new ATOM 0 H1' DT B 8 14.929 8.949 0.061 1.00 0.00 H new ATOM 0 H3 DT B 8 13.714 6.164 3.471 1.00 0.00 H new ATOM 0 H71 DT B 8 17.908 9.103 5.057 1.00 0.00 H new ATOM 0 H72 DT B 8 16.439 9.589 5.937 1.00 0.00 H new ATOM 0 H73 DT B 8 17.109 7.955 6.158 1.00 0.00 H new ATOM 0 H6 DT B 8 16.975 9.585 2.978 1.00 0.00 H new TER 516 DT B 8