USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 185 hydrogens (13 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 NoAdj-H: A 4 DT H3 : A 4 DT N3 : B 13 EDI C11 :(H bumps) USER MOD Set 1.1: A 4 DT C7 :methyl -30:sc= -0.0125 (180deg=-0.0054) USER MOD Set 1.2: A 5 DT C7 :methyl 150:sc= -0.013 (180deg=-0.000504) USER MOD Single : A 1 DC O5' : rot 180:sc= -1.14 USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl -30:sc= 0 (180deg=-0.00101) USER MOD Single : B 9 DT O5' : rot 180:sc=-0.000602 USER MOD Single : B 15 DT C7 :methyl -30:sc= 0 (180deg=-0.029) USER MOD Single : B 16 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 11.053 -3.053 8.530 1.00 0.00 O ATOM 2 C5' DC A 1 11.224 -3.876 9.689 1.00 0.00 C ATOM 3 C4' DC A 1 9.890 -4.299 10.259 1.00 0.00 C ATOM 4 O4' DC A 1 9.169 -3.117 10.684 1.00 0.00 O ATOM 5 C3' DC A 1 8.966 -5.019 9.278 1.00 0.00 C ATOM 6 O3' DC A 1 8.161 -5.988 9.961 1.00 0.00 O ATOM 7 C2' DC A 1 8.102 -3.900 8.730 1.00 0.00 C ATOM 8 C1' DC A 1 7.990 -2.948 9.908 1.00 0.00 C ATOM 9 N1 DC A 1 7.894 -1.528 9.533 1.00 0.00 N ATOM 10 C2 DC A 1 6.729 -0.823 9.847 1.00 0.00 C ATOM 11 O2 DC A 1 5.809 -1.411 10.434 1.00 0.00 O ATOM 12 N3 DC A 1 6.633 0.482 9.504 1.00 0.00 N ATOM 13 C4 DC A 1 7.645 1.081 8.873 1.00 0.00 C ATOM 14 N4 DC A 1 7.506 2.370 8.555 1.00 0.00 N ATOM 15 C5 DC A 1 8.845 0.387 8.541 1.00 0.00 C ATOM 16 C6 DC A 1 8.926 -0.904 8.887 1.00 0.00 C ATOM 0 H5' DC A 1 11.789 -3.331 10.445 1.00 0.00 H new ATOM 0 H5'' DC A 1 11.808 -4.759 9.429 1.00 0.00 H new ATOM 0 H4' DC A 1 10.134 -4.992 11.064 1.00 0.00 H new ATOM 0 H3' DC A 1 9.505 -5.564 8.503 1.00 0.00 H new ATOM 0 H2' DC A 1 8.562 -3.421 7.866 1.00 0.00 H new ATOM 0 H2'' DC A 1 7.125 -4.263 8.410 1.00 0.00 H new ATOM 0 HO5' DC A 1 11.931 -2.792 8.182 1.00 0.00 H new ATOM 0 H1' DC A 1 7.070 -3.189 10.440 1.00 0.00 H new ATOM 0 H41 DC A 1 8.259 2.860 8.072 1.00 0.00 H new ATOM 0 H42 DC A 1 6.647 2.865 8.795 1.00 0.00 H new ATOM 0 H5 DC A 1 9.657 0.883 8.030 1.00 0.00 H new ATOM 0 H6 DC A 1 9.821 -1.462 8.652 1.00 0.00 H new ATOM 29 P DA A 2 7.126 -6.898 9.129 1.00 0.00 P ATOM 30 OP1 DA A 2 6.821 -8.089 9.962 1.00 0.00 O ATOM 31 OP2 DA A 2 7.663 -7.084 7.756 1.00 0.00 O ATOM 32 O5' DA A 2 5.808 -6.006 9.036 1.00 0.00 O ATOM 33 C5' DA A 2 5.013 -5.747 10.195 1.00 0.00 C ATOM 34 C4' DA A 2 3.646 -5.239 9.796 1.00 0.00 C ATOM 35 O4' DA A 2 3.750 -3.834 9.471 1.00 0.00 O ATOM 36 C3' DA A 2 3.014 -5.922 8.576 1.00 0.00 C ATOM 37 O3' DA A 2 1.713 -6.418 8.943 1.00 0.00 O ATOM 38 C2' DA A 2 2.950 -4.825 7.525 1.00 0.00 C ATOM 39 C1' DA A 2 2.953 -3.556 8.341 1.00 0.00 C ATOM 40 N9 DA A 2 3.530 -2.404 7.655 1.00 0.00 N ATOM 41 C8 DA A 2 4.565 -2.419 6.759 1.00 0.00 C ATOM 42 N7 DA A 2 4.905 -1.231 6.323 1.00 0.00 N ATOM 43 C5 DA A 2 4.019 -0.376 6.965 1.00 0.00 C ATOM 44 C6 DA A 2 3.853 1.018 6.929 1.00 0.00 C ATOM 45 N6 DA A 2 4.614 1.837 6.200 1.00 0.00 N ATOM 46 N1 DA A 2 2.867 1.552 7.681 1.00 0.00 N ATOM 47 C2 DA A 2 2.109 0.732 8.422 1.00 0.00 C ATOM 48 N3 DA A 2 2.175 -0.589 8.548 1.00 0.00 N ATOM 49 C4 DA A 2 3.162 -1.088 7.783 1.00 0.00 C ATOM 0 H5' DA A 2 5.510 -5.012 10.828 1.00 0.00 H new ATOM 0 H5'' DA A 2 4.911 -6.658 10.785 1.00 0.00 H new ATOM 0 H4' DA A 2 3.007 -5.455 10.652 1.00 0.00 H new ATOM 0 H3' DA A 2 3.571 -6.781 8.201 1.00 0.00 H new ATOM 0 H2' DA A 2 3.802 -4.868 6.847 1.00 0.00 H new ATOM 0 H2'' DA A 2 2.052 -4.907 6.913 1.00 0.00 H new ATOM 0 H1' DA A 2 1.921 -3.288 8.567 1.00 0.00 H new ATOM 0 H8 DA A 2 5.056 -3.327 6.441 1.00 0.00 H new ATOM 0 H61 DA A 2 4.442 2.842 6.217 1.00 0.00 H new ATOM 0 H62 DA A 2 5.367 1.458 5.626 1.00 0.00 H new ATOM 0 H2 DA A 2 1.334 1.214 8.999 1.00 0.00 H new ATOM 61 P DG A 3 0.551 -6.567 7.834 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.403 -7.577 8.358 1.00 0.00 O ATOM 63 OP2 DG A 3 1.162 -6.765 6.495 1.00 0.00 O ATOM 64 O5' DG A 3 -0.183 -5.151 7.863 1.00 0.00 O ATOM 65 C5' DG A 3 -0.618 -4.576 9.100 1.00 0.00 C ATOM 66 C4' DG A 3 -1.738 -3.588 8.859 1.00 0.00 C ATOM 67 O4' DG A 3 -1.171 -2.336 8.401 1.00 0.00 O ATOM 68 C3' DG A 3 -2.762 -4.008 7.805 1.00 0.00 C ATOM 69 O3' DG A 3 -4.083 -3.634 8.211 1.00 0.00 O ATOM 70 C2' DG A 3 -2.339 -3.241 6.567 1.00 0.00 C ATOM 71 C1' DG A 3 -1.648 -2.006 7.106 1.00 0.00 C ATOM 72 N9 DG A 3 -0.507 -1.582 6.302 1.00 0.00 N ATOM 73 C8 DG A 3 0.470 -2.395 5.789 1.00 0.00 C ATOM 74 N7 DG A 3 1.391 -1.747 5.133 1.00 0.00 N ATOM 75 C5 DG A 3 0.989 -0.421 5.202 1.00 0.00 C ATOM 76 C6 DG A 3 1.587 0.749 4.668 1.00 0.00 C ATOM 77 O6 DG A 3 2.634 0.852 4.018 1.00 0.00 O ATOM 78 N1 DG A 3 0.840 1.884 4.961 1.00 0.00 N ATOM 79 C2 DG A 3 -0.329 1.895 5.679 1.00 0.00 C ATOM 80 N2 DG A 3 -0.905 3.092 5.841 1.00 0.00 N ATOM 81 N3 DG A 3 -0.893 0.816 6.193 1.00 0.00 N ATOM 82 C4 DG A 3 -0.186 -0.301 5.915 1.00 0.00 C ATOM 0 H5' DG A 3 0.218 -4.075 9.589 1.00 0.00 H new ATOM 0 H5'' DG A 3 -0.957 -5.362 9.774 1.00 0.00 H new ATOM 0 H4' DG A 3 -2.259 -3.516 9.814 1.00 0.00 H new ATOM 0 H3' DG A 3 -2.789 -5.086 7.643 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.668 -3.832 5.944 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.198 -2.978 5.950 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.365 -1.185 7.100 1.00 0.00 H new ATOM 0 H8 DG A 3 0.476 -3.467 5.916 1.00 0.00 H new ATOM 0 H1 DG A 3 1.188 2.778 4.615 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.777 3.172 6.365 1.00 0.00 H new ATOM 0 H22 DG A 3 -0.472 3.924 5.441 1.00 0.00 H new ATOM 94 P DT A 4 -5.360 -4.256 7.456 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.410 -4.492 8.479 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.907 -5.382 6.597 1.00 0.00 O ATOM 97 O5' DT A 4 -5.849 -3.075 6.503 1.00 0.00 O ATOM 98 C5' DT A 4 -6.358 -1.858 7.049 1.00 0.00 C ATOM 99 C4' DT A 4 -6.054 -0.702 6.123 1.00 0.00 C ATOM 100 O4' DT A 4 -4.686 -0.821 5.669 1.00 0.00 O ATOM 101 C3' DT A 4 -6.923 -0.627 4.861 1.00 0.00 C ATOM 102 O3' DT A 4 -7.630 0.618 4.826 1.00 0.00 O ATOM 103 C2' DT A 4 -5.936 -0.709 3.707 1.00 0.00 C ATOM 104 C1' DT A 4 -4.606 -0.361 4.341 1.00 0.00 C ATOM 105 N1 DT A 4 -3.440 -0.997 3.702 1.00 0.00 N ATOM 106 C2 DT A 4 -2.401 -0.187 3.314 1.00 0.00 C ATOM 107 O2 DT A 4 -2.407 1.021 3.497 1.00 0.00 O ATOM 108 N3 DT A 4 -1.349 -0.831 2.701 1.00 0.00 N ATOM 109 C4 DT A 4 -1.268 -2.194 2.457 1.00 0.00 C ATOM 110 O4 DT A 4 -0.271 -2.657 1.908 1.00 0.00 O ATOM 111 C5 DT A 4 -2.398 -2.983 2.894 1.00 0.00 C ATOM 112 C7 DT A 4 -2.425 -4.445 2.570 1.00 0.00 C ATOM 113 C6 DT A 4 -3.411 -2.357 3.499 1.00 0.00 C ATOM 0 H5' DT A 4 -5.913 -1.676 8.027 1.00 0.00 H new ATOM 0 H5'' DT A 4 -7.435 -1.940 7.198 1.00 0.00 H new ATOM 0 H4' DT A 4 -6.254 0.194 6.711 1.00 0.00 H new ATOM 0 H3' DT A 4 -7.670 -1.420 4.820 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.920 -1.705 3.265 1.00 0.00 H new ATOM 0 H2'' DT A 4 -6.194 -0.011 2.910 1.00 0.00 H new ATOM 0 H1' DT A 4 -4.449 0.713 4.242 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.889 -4.621 1.637 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.947 -5.005 3.374 1.00 0.00 H new ATOM 0 H73 DT A 4 -3.458 -4.775 2.462 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.247 -2.947 3.845 1.00 0.00 H new ATOM 125 P DT A 5 -8.855 0.812 3.802 1.00 0.00 P ATOM 126 OP1 DT A 5 -9.766 1.829 4.386 1.00 0.00 O ATOM 127 OP2 DT A 5 -9.388 -0.527 3.442 1.00 0.00 O ATOM 128 O5' DT A 5 -8.174 1.437 2.505 1.00 0.00 O ATOM 129 C5' DT A 5 -7.533 2.713 2.555 1.00 0.00 C ATOM 130 C4' DT A 5 -6.911 3.034 1.217 1.00 0.00 C ATOM 131 O4' DT A 5 -5.733 2.211 1.047 1.00 0.00 O ATOM 132 C3' DT A 5 -7.807 2.759 0.004 1.00 0.00 C ATOM 133 O3' DT A 5 -7.995 3.957 -0.755 1.00 0.00 O ATOM 134 C2' DT A 5 -7.040 1.737 -0.820 1.00 0.00 C ATOM 135 C1' DT A 5 -5.623 1.848 -0.311 1.00 0.00 C ATOM 136 N1 DT A 5 -4.843 0.600 -0.389 1.00 0.00 N ATOM 137 C2 DT A 5 -3.586 0.665 -0.941 1.00 0.00 C ATOM 138 O2 DT A 5 -3.096 1.698 -1.366 1.00 0.00 O ATOM 139 N3 DT A 5 -2.918 -0.527 -0.981 1.00 0.00 N ATOM 140 C4 DT A 5 -3.371 -1.752 -0.544 1.00 0.00 C ATOM 141 O4 DT A 5 -2.639 -2.734 -0.617 1.00 0.00 O ATOM 142 C5 DT A 5 -4.706 -1.754 0.013 1.00 0.00 C ATOM 143 C7 DT A 5 -5.325 -3.059 0.405 1.00 0.00 C ATOM 144 C6 DT A 5 -5.368 -0.590 0.075 1.00 0.00 C ATOM 0 H5' DT A 5 -6.767 2.714 3.330 1.00 0.00 H new ATOM 0 H5'' DT A 5 -8.257 3.482 2.822 1.00 0.00 H new ATOM 0 H4' DT A 5 -6.708 4.105 1.242 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.796 2.403 0.294 1.00 0.00 H new ATOM 0 H2' DT A 5 -7.437 0.732 -0.680 1.00 0.00 H new ATOM 0 H2'' DT A 5 -7.100 1.957 -1.886 1.00 0.00 H new ATOM 0 H1' DT A 5 -5.093 2.569 -0.934 1.00 0.00 H new ATOM 0 H3 DT A 5 -1.979 -0.507 -1.379 1.00 0.00 H new ATOM 0 H71 DT A 5 -6.014 -2.900 1.235 1.00 0.00 H new ATOM 0 H72 DT A 5 -5.869 -3.473 -0.444 1.00 0.00 H new ATOM 0 H73 DT A 5 -4.544 -3.755 0.710 1.00 0.00 H new ATOM 0 H6 DT A 5 -6.357 -0.583 0.508 1.00 0.00 H new ATOM 157 P DC A 6 -9.068 3.982 -1.953 1.00 0.00 P ATOM 158 OP1 DC A 6 -10.004 5.102 -1.683 1.00 0.00 O ATOM 159 OP2 DC A 6 -9.603 2.609 -2.145 1.00 0.00 O ATOM 160 O5' DC A 6 -8.207 4.360 -3.240 1.00 0.00 O ATOM 161 C5' DC A 6 -7.065 5.210 -3.139 1.00 0.00 C ATOM 162 C4' DC A 6 -5.995 4.761 -4.106 1.00 0.00 C ATOM 163 O4' DC A 6 -5.497 3.473 -3.675 1.00 0.00 O ATOM 164 C3' DC A 6 -6.466 4.580 -5.553 1.00 0.00 C ATOM 165 O3' DC A 6 -5.714 5.434 -6.425 1.00 0.00 O ATOM 166 C2' DC A 6 -6.190 3.117 -5.870 1.00 0.00 C ATOM 167 C1' DC A 6 -5.199 2.693 -4.810 1.00 0.00 C ATOM 168 N1 DC A 6 -5.282 1.276 -4.422 1.00 0.00 N ATOM 169 C2 DC A 6 -4.110 0.516 -4.396 1.00 0.00 C ATOM 170 O2 DC A 6 -3.040 1.052 -4.715 1.00 0.00 O ATOM 171 N3 DC A 6 -4.172 -0.782 -4.025 1.00 0.00 N ATOM 172 C4 DC A 6 -5.344 -1.325 -3.693 1.00 0.00 C ATOM 173 N4 DC A 6 -5.354 -2.608 -3.326 1.00 0.00 N ATOM 174 C5 DC A 6 -6.557 -0.577 -3.718 1.00 0.00 C ATOM 175 C6 DC A 6 -6.481 0.708 -4.089 1.00 0.00 C ATOM 0 H5' DC A 6 -6.677 5.191 -2.121 1.00 0.00 H new ATOM 0 H5'' DC A 6 -7.349 6.240 -3.352 1.00 0.00 H new ATOM 0 H4' DC A 6 -5.247 5.554 -4.099 1.00 0.00 H new ATOM 0 H3' DC A 6 -7.517 4.837 -5.685 1.00 0.00 H new ATOM 0 H2' DC A 6 -7.101 2.520 -5.826 1.00 0.00 H new ATOM 0 H2'' DC A 6 -5.778 2.997 -6.872 1.00 0.00 H new ATOM 0 H1' DC A 6 -4.195 2.833 -5.210 1.00 0.00 H new ATOM 0 H41 DC A 6 -6.232 -3.057 -3.065 1.00 0.00 H new ATOM 0 H42 DC A 6 -4.484 -3.140 -3.306 1.00 0.00 H new ATOM 0 H5 DC A 6 -7.500 -1.028 -3.448 1.00 0.00 H new ATOM 0 H6 DC A 6 -7.380 1.305 -4.126 1.00 0.00 H new ATOM 187 P DC A 7 -5.857 5.277 -8.021 1.00 0.00 P ATOM 188 OP1 DC A 7 -5.358 6.532 -8.635 1.00 0.00 O ATOM 189 OP2 DC A 7 -7.233 4.807 -8.327 1.00 0.00 O ATOM 190 O5' DC A 7 -4.839 4.107 -8.386 1.00 0.00 O ATOM 191 C5' DC A 7 -3.433 4.271 -8.194 1.00 0.00 C ATOM 192 C4' DC A 7 -2.670 3.284 -9.045 1.00 0.00 C ATOM 193 O4' DC A 7 -2.868 1.958 -8.501 1.00 0.00 O ATOM 194 C3' DC A 7 -3.105 3.220 -10.514 1.00 0.00 C ATOM 195 O3' DC A 7 -1.965 3.383 -11.363 1.00 0.00 O ATOM 196 C2' DC A 7 -3.698 1.829 -10.680 1.00 0.00 C ATOM 197 C1' DC A 7 -3.069 1.039 -9.551 1.00 0.00 C ATOM 198 N1 DC A 7 -3.887 -0.064 -9.026 1.00 0.00 N ATOM 199 C2 DC A 7 -3.279 -1.297 -8.799 1.00 0.00 C ATOM 200 O2 DC A 7 -2.080 -1.432 -9.073 1.00 0.00 O ATOM 201 N3 DC A 7 -4.008 -2.312 -8.288 1.00 0.00 N ATOM 202 C4 DC A 7 -5.299 -2.129 -8.009 1.00 0.00 C ATOM 203 N4 DC A 7 -5.973 -3.157 -7.491 1.00 0.00 N ATOM 204 C5 DC A 7 -5.954 -0.884 -8.244 1.00 0.00 C ATOM 205 C6 DC A 7 -5.215 0.112 -8.751 1.00 0.00 C ATOM 0 H5' DC A 7 -3.183 4.125 -7.143 1.00 0.00 H new ATOM 0 H5'' DC A 7 -3.140 5.288 -8.453 1.00 0.00 H new ATOM 0 H4' DC A 7 -1.635 3.625 -9.024 1.00 0.00 H new ATOM 0 H3' DC A 7 -3.817 4.002 -10.777 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.785 1.844 -10.602 1.00 0.00 H new ATOM 0 H2'' DC A 7 -3.454 1.402 -11.653 1.00 0.00 H new ATOM 0 H1' DC A 7 -2.162 0.576 -9.941 1.00 0.00 H new ATOM 0 H41 DC A 7 -6.962 -3.056 -7.264 1.00 0.00 H new ATOM 0 H42 DC A 7 -5.499 -4.044 -7.322 1.00 0.00 H new ATOM 0 H5 DC A 7 -7.002 -0.750 -8.022 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.676 1.069 -8.946 1.00 0.00 H new ATOM 217 P DA A 8 -2.153 3.950 -12.856 1.00 0.00 P ATOM 218 OP1 DA A 8 -1.826 5.397 -12.823 1.00 0.00 O ATOM 219 OP2 DA A 8 -3.476 3.508 -13.367 1.00 0.00 O ATOM 220 O5' DA A 8 -1.021 3.199 -13.691 1.00 0.00 O ATOM 221 C5' DA A 8 0.346 3.609 -13.615 1.00 0.00 C ATOM 222 C4' DA A 8 1.260 2.423 -13.815 1.00 0.00 C ATOM 223 O4' DA A 8 0.710 1.291 -13.104 1.00 0.00 O ATOM 224 C3' DA A 8 1.438 1.964 -15.263 1.00 0.00 C ATOM 225 O3' DA A 8 2.762 1.476 -15.486 1.00 0.00 O ATOM 226 C2' DA A 8 0.424 0.847 -15.414 1.00 0.00 C ATOM 227 C1' DA A 8 0.266 0.288 -14.007 1.00 0.00 C ATOM 228 N9 DA A 8 -1.116 -0.035 -13.656 1.00 0.00 N ATOM 229 C8 DA A 8 -2.233 0.716 -13.927 1.00 0.00 C ATOM 230 N7 DA A 8 -3.348 0.181 -13.493 1.00 0.00 N ATOM 231 C5 DA A 8 -2.938 -1.003 -12.894 1.00 0.00 C ATOM 232 C6 DA A 8 -3.645 -2.026 -12.242 1.00 0.00 C ATOM 233 N6 DA A 8 -4.970 -2.022 -12.077 1.00 0.00 N ATOM 234 N1 DA A 8 -2.937 -3.070 -11.759 1.00 0.00 N ATOM 235 C2 DA A 8 -1.608 -3.074 -11.926 1.00 0.00 C ATOM 236 N3 DA A 8 -0.831 -2.171 -12.520 1.00 0.00 N ATOM 237 C4 DA A 8 -1.566 -1.149 -12.988 1.00 0.00 C ATOM 0 H5' DA A 8 0.542 4.069 -12.646 1.00 0.00 H new ATOM 0 H5'' DA A 8 0.549 4.365 -14.373 1.00 0.00 H new ATOM 0 H4' DA A 8 2.233 2.757 -13.454 1.00 0.00 H new ATOM 0 H3' DA A 8 1.291 2.772 -15.980 1.00 0.00 H new ATOM 0 H2' DA A 8 -0.524 1.220 -15.802 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.774 0.083 -16.108 1.00 0.00 H new ATOM 0 HO3' DA A 8 2.851 1.187 -16.418 1.00 0.00 H new ATOM 0 H1' DA A 8 0.840 -0.637 -13.954 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.196 1.660 -14.450 1.00 0.00 H new ATOM 0 H61 DA A 8 -5.426 -2.796 -11.594 1.00 0.00 H new ATOM 0 H62 DA A 8 -5.526 -1.245 -12.434 1.00 0.00 H new ATOM 0 H2 DA A 8 -1.093 -3.933 -11.521 1.00 0.00 H new TER 250 DA A 8 ATOM 251 O5' DT B 9 -5.443 -10.853 -9.339 1.00 0.00 O ATOM 252 C5' DT B 9 -4.346 -11.497 -9.993 1.00 0.00 C ATOM 253 C4' DT B 9 -3.062 -10.724 -9.796 1.00 0.00 C ATOM 254 O4' DT B 9 -3.174 -9.451 -10.482 1.00 0.00 O ATOM 255 C3' DT B 9 -2.731 -10.382 -8.342 1.00 0.00 C ATOM 256 O3' DT B 9 -1.314 -10.398 -8.136 1.00 0.00 O ATOM 257 C2' DT B 9 -3.277 -8.974 -8.189 1.00 0.00 C ATOM 258 C1' DT B 9 -2.994 -8.389 -9.560 1.00 0.00 C ATOM 259 N1 DT B 9 -3.885 -7.281 -9.958 1.00 0.00 N ATOM 260 C2 DT B 9 -3.307 -6.077 -10.290 1.00 0.00 C ATOM 261 O2 DT B 9 -2.103 -5.888 -10.275 1.00 0.00 O ATOM 262 N3 DT B 9 -4.193 -5.097 -10.644 1.00 0.00 N ATOM 263 C4 DT B 9 -5.566 -5.193 -10.696 1.00 0.00 C ATOM 264 O4 DT B 9 -6.233 -4.215 -11.025 1.00 0.00 O ATOM 265 C5 DT B 9 -6.108 -6.485 -10.337 1.00 0.00 C ATOM 266 C7 DT B 9 -7.592 -6.682 -10.361 1.00 0.00 C ATOM 267 C6 DT B 9 -5.253 -7.457 -9.990 1.00 0.00 C ATOM 0 H5' DT B 9 -4.558 -11.590 -11.058 1.00 0.00 H new ATOM 0 H5'' DT B 9 -4.229 -12.508 -9.602 1.00 0.00 H new ATOM 0 H4' DT B 9 -2.277 -11.376 -10.180 1.00 0.00 H new ATOM 0 H3' DT B 9 -3.151 -11.087 -7.624 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.341 -8.970 -7.953 1.00 0.00 H new ATOM 0 H2'' DT B 9 -2.773 -8.422 -7.396 1.00 0.00 H new ATOM 0 HO5' DT B 9 -6.261 -11.373 -9.484 1.00 0.00 H new ATOM 0 H1' DT B 9 -1.989 -7.968 -9.542 1.00 0.00 H new ATOM 0 H3 DT B 9 -3.792 -4.194 -10.898 1.00 0.00 H new ATOM 0 H71 DT B 9 -8.088 -5.738 -10.136 1.00 0.00 H new ATOM 0 H72 DT B 9 -7.897 -7.026 -11.349 1.00 0.00 H new ATOM 0 H73 DT B 9 -7.872 -7.426 -9.615 1.00 0.00 H new ATOM 0 H6 DT B 9 -5.654 -8.424 -9.723 1.00 0.00 H new ATOM 281 P DG B 10 -0.708 -11.018 -6.781 1.00 0.00 P ATOM 282 OP1 DG B 10 -0.461 -12.462 -7.028 1.00 0.00 O ATOM 283 OP2 DG B 10 -1.580 -10.608 -5.650 1.00 0.00 O ATOM 284 O5' DG B 10 0.699 -10.290 -6.614 1.00 0.00 O ATOM 285 C5' DG B 10 1.844 -10.712 -7.361 1.00 0.00 C ATOM 286 C4' DG B 10 2.763 -9.540 -7.620 1.00 0.00 C ATOM 287 O4' DG B 10 1.971 -8.399 -8.026 1.00 0.00 O ATOM 288 C3' DG B 10 3.577 -9.066 -6.418 1.00 0.00 C ATOM 289 O3' DG B 10 4.837 -8.533 -6.851 1.00 0.00 O ATOM 290 C2' DG B 10 2.704 -7.984 -5.815 1.00 0.00 C ATOM 291 C1' DG B 10 1.987 -7.396 -7.018 1.00 0.00 C ATOM 292 N9 DG B 10 0.607 -7.007 -6.756 1.00 0.00 N ATOM 293 C8 DG B 10 -0.326 -7.707 -6.031 1.00 0.00 C ATOM 294 N7 DG B 10 -1.488 -7.116 -5.981 1.00 0.00 N ATOM 295 C5 DG B 10 -1.309 -5.949 -6.712 1.00 0.00 C ATOM 296 C6 DG B 10 -2.216 -4.897 -7.011 1.00 0.00 C ATOM 297 O6 DG B 10 -3.405 -4.783 -6.683 1.00 0.00 O ATOM 298 N1 DG B 10 -1.613 -3.906 -7.778 1.00 0.00 N ATOM 299 C2 DG B 10 -0.309 -3.922 -8.204 1.00 0.00 C ATOM 300 N2 DG B 10 0.091 -2.873 -8.930 1.00 0.00 N ATOM 301 N3 DG B 10 0.543 -4.894 -7.938 1.00 0.00 N ATOM 302 C4 DG B 10 -0.019 -5.867 -7.193 1.00 0.00 C ATOM 0 H5' DG B 10 1.528 -11.151 -8.307 1.00 0.00 H new ATOM 0 H5'' DG B 10 2.379 -11.488 -6.813 1.00 0.00 H new ATOM 0 H4' DG B 10 3.458 -9.902 -8.378 1.00 0.00 H new ATOM 0 H3' DG B 10 3.814 -9.860 -5.710 1.00 0.00 H new ATOM 0 H2' DG B 10 2.001 -8.393 -5.089 1.00 0.00 H new ATOM 0 H2'' DG B 10 3.298 -7.232 -5.295 1.00 0.00 H new ATOM 0 H1' DG B 10 2.520 -6.490 -7.307 1.00 0.00 H new ATOM 0 H8 DG B 10 -0.119 -8.652 -5.551 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.185 -3.105 -8.045 1.00 0.00 H new ATOM 0 H21 DG B 10 1.050 -2.828 -9.275 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.563 -2.118 -9.138 1.00 0.00 H new ATOM 314 P DG B 11 5.720 -7.637 -5.847 1.00 0.00 P ATOM 315 OP1 DG B 11 7.044 -7.433 -6.485 1.00 0.00 O ATOM 316 OP2 DG B 11 5.646 -8.240 -4.491 1.00 0.00 O ATOM 317 O5' DG B 11 4.966 -6.231 -5.808 1.00 0.00 O ATOM 318 C5' DG B 11 5.102 -5.290 -6.877 1.00 0.00 C ATOM 319 C4' DG B 11 4.960 -3.877 -6.360 1.00 0.00 C ATOM 320 O4' DG B 11 3.553 -3.573 -6.186 1.00 0.00 O ATOM 321 C3' DG B 11 5.627 -3.607 -5.006 1.00 0.00 C ATOM 322 O3' DG B 11 6.369 -2.381 -5.066 1.00 0.00 O ATOM 323 C2' DG B 11 4.460 -3.497 -4.042 1.00 0.00 C ATOM 324 C1' DG B 11 3.352 -2.970 -4.924 1.00 0.00 C ATOM 325 N9 DG B 11 2.007 -3.308 -4.470 1.00 0.00 N ATOM 326 C8 DG B 11 1.635 -4.441 -3.793 1.00 0.00 C ATOM 327 N7 DG B 11 0.359 -4.482 -3.520 1.00 0.00 N ATOM 328 C5 DG B 11 -0.141 -3.299 -4.044 1.00 0.00 C ATOM 329 C6 DG B 11 -1.462 -2.782 -4.051 1.00 0.00 C ATOM 330 O6 DG B 11 -2.491 -3.284 -3.584 1.00 0.00 O ATOM 331 N1 DG B 11 -1.525 -1.546 -4.686 1.00 0.00 N ATOM 332 C2 DG B 11 -0.456 -0.891 -5.243 1.00 0.00 C ATOM 333 N2 DG B 11 -0.719 0.296 -5.800 1.00 0.00 N ATOM 334 N3 DG B 11 0.780 -1.362 -5.248 1.00 0.00 N ATOM 335 C4 DG B 11 0.865 -2.561 -4.635 1.00 0.00 C ATOM 0 H5' DG B 11 4.345 -5.483 -7.638 1.00 0.00 H new ATOM 0 H5'' DG B 11 6.074 -5.412 -7.356 1.00 0.00 H new ATOM 0 H4' DG B 11 5.458 -3.257 -7.106 1.00 0.00 H new ATOM 0 H3' DG B 11 6.334 -4.381 -4.708 1.00 0.00 H new ATOM 0 H2' DG B 11 4.205 -4.461 -3.603 1.00 0.00 H new ATOM 0 H2'' DG B 11 4.678 -2.819 -3.217 1.00 0.00 H new ATOM 0 H1' DG B 11 3.402 -1.881 -4.926 1.00 0.00 H new ATOM 0 H8 DG B 11 2.328 -5.221 -3.514 1.00 0.00 H new ATOM 0 H1 DG B 11 -2.436 -1.092 -4.742 1.00 0.00 H new ATOM 0 H21 DG B 11 0.032 0.834 -6.232 1.00 0.00 H new ATOM 0 H22 DG B 11 -1.671 0.663 -5.793 1.00 0.00 H new ATOM 347 P DA B 12 7.280 -1.926 -3.819 1.00 0.00 P ATOM 348 OP1 DA B 12 8.695 -1.988 -4.265 1.00 0.00 O ATOM 349 OP2 DA B 12 6.860 -2.678 -2.609 1.00 0.00 O ATOM 350 O5' DA B 12 6.900 -0.391 -3.611 1.00 0.00 O ATOM 351 C5' DA B 12 6.820 0.503 -4.725 1.00 0.00 C ATOM 352 C4' DA B 12 6.046 1.745 -4.348 1.00 0.00 C ATOM 353 O4' DA B 12 4.670 1.378 -4.081 1.00 0.00 O ATOM 354 C3' DA B 12 6.544 2.470 -3.096 1.00 0.00 C ATOM 355 O3' DA B 12 6.469 3.888 -3.281 1.00 0.00 O ATOM 356 C2' DA B 12 5.584 2.016 -2.012 1.00 0.00 C ATOM 357 C1' DA B 12 4.295 1.774 -2.772 1.00 0.00 C ATOM 358 N9 DA B 12 3.466 0.715 -2.203 1.00 0.00 N ATOM 359 C8 DA B 12 3.914 -0.415 -1.576 1.00 0.00 C ATOM 360 N7 DA B 12 2.956 -1.210 -1.166 1.00 0.00 N ATOM 361 C5 DA B 12 1.795 -0.550 -1.542 1.00 0.00 C ATOM 362 C6 DA B 12 0.433 -0.870 -1.389 1.00 0.00 C ATOM 363 N6 DA B 12 -0.004 -1.981 -0.793 1.00 0.00 N ATOM 364 N1 DA B 12 -0.475 0.003 -1.877 1.00 0.00 N ATOM 365 C2 DA B 12 -0.035 1.119 -2.473 1.00 0.00 C ATOM 366 N3 DA B 12 1.216 1.529 -2.678 1.00 0.00 N ATOM 367 C4 DA B 12 2.094 0.638 -2.182 1.00 0.00 C ATOM 0 H5' DA B 12 6.335 0.005 -5.565 1.00 0.00 H new ATOM 0 H5'' DA B 12 7.823 0.777 -5.053 1.00 0.00 H new ATOM 0 H4' DA B 12 6.172 2.421 -5.194 1.00 0.00 H new ATOM 0 H3' DA B 12 7.584 2.247 -2.856 1.00 0.00 H new ATOM 0 H2' DA B 12 5.935 1.111 -1.516 1.00 0.00 H new ATOM 0 H2'' DA B 12 5.460 2.775 -1.240 1.00 0.00 H new ATOM 0 H1' DA B 12 3.703 2.688 -2.737 1.00 0.00 H new ATOM 0 H8 DA B 12 4.962 -0.632 -1.432 1.00 0.00 H new ATOM 0 H61 DA B 12 -1.006 -2.157 -0.713 1.00 0.00 H new ATOM 0 H62 DA B 12 0.664 -2.655 -0.418 1.00 0.00 H new ATOM 0 H2 DA B 12 -0.805 1.782 -2.840 1.00 0.00 H new HETATM 379 P EDI B 13 7.138 4.875 -2.200 1.00 0.00 P HETATM 380 OP1 EDI B 13 8.158 5.681 -2.917 1.00 0.00 O HETATM 381 OP2 EDI B 13 7.535 4.085 -1.006 1.00 0.00 O HETATM 382 O5' EDI B 13 5.949 5.850 -1.781 1.00 0.00 O HETATM 383 C5' EDI B 13 5.336 6.713 -2.741 1.00 0.00 C HETATM 384 C4' EDI B 13 4.197 7.481 -2.108 1.00 0.00 C HETATM 385 O4' EDI B 13 3.161 6.550 -1.715 1.00 0.00 O HETATM 386 C3' EDI B 13 4.553 8.258 -0.842 1.00 0.00 C HETATM 387 O3' EDI B 13 3.754 9.444 -0.748 1.00 0.00 O HETATM 388 C2' EDI B 13 4.222 7.284 0.269 1.00 0.00 C HETATM 389 C1' EDI B 13 3.091 6.446 -0.299 1.00 0.00 C HETATM 390 N9 EDI B 13 3.193 5.036 0.051 1.00 0.00 N HETATM 391 C8 EDI B 13 4.345 4.303 0.147 1.00 0.00 C HETATM 392 N7 EDI B 13 4.139 3.059 0.478 1.00 0.00 N HETATM 393 C5 EDI B 13 2.761 2.967 0.610 1.00 0.00 C HETATM 394 C6 EDI B 13 1.944 1.862 0.953 1.00 0.00 C HETATM 395 O6 EDI B 13 2.292 0.704 1.217 1.00 0.00 O HETATM 396 N1 EDI B 13 0.594 2.208 0.973 1.00 0.00 N HETATM 397 C2 EDI B 13 0.100 3.461 0.696 1.00 0.00 C HETATM 398 N3 EDI B 13 0.851 4.498 0.374 1.00 0.00 N HETATM 399 C4 EDI B 13 2.162 4.181 0.350 1.00 0.00 C HETATM 400 C11 EDI B 13 -0.222 -0.008 2.269 1.00 0.00 C HETATM 401 C12 EDI B 13 -0.371 1.164 1.311 1.00 0.00 C ATOM 415 P DC B 14 3.817 10.351 0.578 1.00 0.00 P ATOM 416 OP1 DC B 14 3.368 11.713 0.190 1.00 0.00 O ATOM 417 OP2 DC B 14 5.147 10.175 1.216 1.00 0.00 O ATOM 418 O5' DC B 14 2.714 9.716 1.539 1.00 0.00 O ATOM 419 C5' DC B 14 1.487 10.400 1.808 1.00 0.00 C ATOM 420 C4' DC B 14 0.525 9.492 2.540 1.00 0.00 C ATOM 421 O4' DC B 14 0.935 8.119 2.344 1.00 0.00 O ATOM 422 C3' DC B 14 0.455 9.712 4.055 1.00 0.00 C ATOM 423 O3' DC B 14 -0.880 10.058 4.443 1.00 0.00 O ATOM 424 C2' DC B 14 0.849 8.373 4.664 1.00 0.00 C ATOM 425 C1' DC B 14 0.715 7.384 3.528 1.00 0.00 C ATOM 426 N1 DC B 14 1.691 6.288 3.566 1.00 0.00 N ATOM 427 C2 DC B 14 1.237 4.977 3.719 1.00 0.00 C ATOM 428 O2 DC B 14 0.021 4.772 3.841 1.00 0.00 O ATOM 429 N3 DC B 14 2.133 3.965 3.734 1.00 0.00 N ATOM 430 C4 DC B 14 3.436 4.226 3.607 1.00 0.00 C ATOM 431 N4 DC B 14 4.280 3.194 3.612 1.00 0.00 N ATOM 432 C5 DC B 14 3.928 5.554 3.464 1.00 0.00 C ATOM 433 C6 DC B 14 3.028 6.545 3.449 1.00 0.00 C ATOM 0 H5' DC B 14 1.039 10.737 0.873 1.00 0.00 H new ATOM 0 H5'' DC B 14 1.683 11.290 2.406 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.457 9.722 2.126 1.00 0.00 H new ATOM 0 H3' DC B 14 1.106 10.522 4.385 1.00 0.00 H new ATOM 0 H2' DC B 14 1.868 8.398 5.050 1.00 0.00 H new ATOM 0 H2'' DC B 14 0.198 8.110 5.498 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.269 6.920 3.595 1.00 0.00 H new ATOM 0 H41 DC B 14 5.283 3.355 3.517 1.00 0.00 H new ATOM 0 H42 DC B 14 3.923 2.244 3.711 1.00 0.00 H new ATOM 0 H5 DC B 14 4.985 5.754 3.371 1.00 0.00 H new ATOM 0 H6 DC B 14 3.365 7.566 3.343 1.00 0.00 H new ATOM 445 P DT B 15 -1.194 10.446 5.972 1.00 0.00 P ATOM 446 OP1 DT B 15 -2.520 11.114 5.995 1.00 0.00 O ATOM 447 OP2 DT B 15 -0.010 11.147 6.532 1.00 0.00 O ATOM 448 O5' DT B 15 -1.333 9.039 6.709 1.00 0.00 O ATOM 449 C5' DT B 15 -2.466 8.199 6.485 1.00 0.00 C ATOM 450 C4' DT B 15 -2.472 7.052 7.469 1.00 0.00 C ATOM 451 O4' DT B 15 -1.351 6.185 7.176 1.00 0.00 O ATOM 452 C3' DT B 15 -2.333 7.457 8.941 1.00 0.00 C ATOM 453 O3' DT B 15 -3.349 6.811 9.719 1.00 0.00 O ATOM 454 C2' DT B 15 -0.947 6.972 9.335 1.00 0.00 C ATOM 455 C1' DT B 15 -0.694 5.831 8.375 1.00 0.00 C ATOM 456 N1 DT B 15 0.723 5.585 8.058 1.00 0.00 N ATOM 457 C2 DT B 15 1.164 4.283 8.024 1.00 0.00 C ATOM 458 O2 DT B 15 0.446 3.328 8.268 1.00 0.00 O ATOM 459 N3 DT B 15 2.484 4.136 7.698 1.00 0.00 N ATOM 460 C4 DT B 15 3.390 5.133 7.416 1.00 0.00 C ATOM 461 O4 DT B 15 4.535 4.840 7.084 1.00 0.00 O ATOM 462 C5 DT B 15 2.869 6.480 7.491 1.00 0.00 C ATOM 463 C7 DT B 15 3.807 7.629 7.285 1.00 0.00 C ATOM 464 C6 DT B 15 1.573 6.641 7.799 1.00 0.00 C ATOM 0 H5' DT B 15 -2.445 7.813 5.466 1.00 0.00 H new ATOM 0 H5'' DT B 15 -3.383 8.779 6.587 1.00 0.00 H new ATOM 0 H4' DT B 15 -3.446 6.577 7.350 1.00 0.00 H new ATOM 0 H3' DT B 15 -2.449 8.528 9.105 1.00 0.00 H new ATOM 0 H2' DT B 15 -0.200 7.759 9.231 1.00 0.00 H new ATOM 0 H2'' DT B 15 -0.917 6.639 10.373 1.00 0.00 H new ATOM 0 H1' DT B 15 -1.054 4.915 8.844 1.00 0.00 H new ATOM 0 H3 DT B 15 2.837 3.180 7.660 1.00 0.00 H new ATOM 0 H71 DT B 15 4.806 7.348 7.619 1.00 0.00 H new ATOM 0 H72 DT B 15 3.838 7.888 6.227 1.00 0.00 H new ATOM 0 H73 DT B 15 3.461 8.489 7.859 1.00 0.00 H new ATOM 0 H6 DT B 15 1.176 7.644 7.846 1.00 0.00 H new ATOM 477 P DG B 16 -3.297 6.881 11.324 1.00 0.00 P ATOM 478 OP1 DG B 16 -4.675 6.640 11.824 1.00 0.00 O ATOM 479 OP2 DG B 16 -2.583 8.122 11.720 1.00 0.00 O ATOM 480 O5' DG B 16 -2.390 5.635 11.731 1.00 0.00 O ATOM 481 C5' DG B 16 -2.937 4.317 11.803 1.00 0.00 C ATOM 482 C4' DG B 16 -2.162 3.482 12.796 1.00 0.00 C ATOM 483 O4' DG B 16 -0.940 3.027 12.167 1.00 0.00 O ATOM 484 C3' DG B 16 -1.743 4.223 14.070 1.00 0.00 C ATOM 485 O3' DG B 16 -1.954 3.410 15.225 1.00 0.00 O ATOM 486 C2' DG B 16 -0.264 4.493 13.865 1.00 0.00 C ATOM 487 C1' DG B 16 0.174 3.347 12.977 1.00 0.00 C ATOM 488 N9 DG B 16 1.290 3.674 12.098 1.00 0.00 N ATOM 489 C8 DG B 16 1.562 4.899 11.547 1.00 0.00 C ATOM 490 N7 DG B 16 2.633 4.903 10.801 1.00 0.00 N ATOM 491 C5 DG B 16 3.096 3.595 10.864 1.00 0.00 C ATOM 492 C6 DG B 16 4.228 2.990 10.258 1.00 0.00 C ATOM 493 O6 DG B 16 5.076 3.505 9.522 1.00 0.00 O ATOM 494 N1 DG B 16 4.323 1.641 10.586 1.00 0.00 N ATOM 495 C2 DG B 16 3.445 0.962 11.393 1.00 0.00 C ATOM 496 N2 DG B 16 3.704 -0.334 11.590 1.00 0.00 N ATOM 497 N3 DG B 16 2.390 1.514 11.966 1.00 0.00 N ATOM 498 C4 DG B 16 2.277 2.823 11.660 1.00 0.00 C ATOM 0 H5' DG B 16 -2.905 3.848 10.820 1.00 0.00 H new ATOM 0 H5'' DG B 16 -3.985 4.366 12.098 1.00 0.00 H new ATOM 0 H4' DG B 16 -2.837 2.677 13.086 1.00 0.00 H new ATOM 0 H3' DG B 16 -2.319 5.134 14.234 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.093 5.459 13.390 1.00 0.00 H new ATOM 0 H2'' DG B 16 0.279 4.501 14.810 1.00 0.00 H new ATOM 0 HO3' DG B 16 -1.678 3.902 16.026 1.00 0.00 H new ATOM 0 H1' DG B 16 0.511 2.530 13.615 1.00 0.00 H new ATOM 0 H8 DG B 16 0.951 5.774 11.713 1.00 0.00 H new ATOM 0 H1 DG B 16 5.106 1.116 10.196 1.00 0.00 H new ATOM 0 H21 DG B 16 3.088 -0.893 12.180 1.00 0.00 H new ATOM 0 H22 DG B 16 4.518 -0.764 11.150 1.00 0.00 H new TER 511 DG B 16