USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 264 hydrogens (15 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 6 DG H21 : A 6 DG N2 : A 25 BPJ C1 :(H bumps) USER MOD NoAdj-H: A 25 BPJH12A : A 25 BPJ C1 : A 6 DG N2 :(H bumps) USER MOD Single : A 1 DC O5' : rot 180:sc= -0.0707 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.808 (180deg=-0.808) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.135 (180deg=-0.284) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : A 25 BPJ O2 : rot 158:sc= 0.695 USER MOD Single : A 25 BPJ O3 : rot 180:sc= -0.292 USER MOD Single : A 25 BPJ O4 : rot -150:sc= -0.0344 USER MOD Single : B 12 DG O5' : rot 180:sc= 0 USER MOD Single : B 14 DT C7 :methyl 150:sc= -0.232 (180deg=-0.232) USER MOD Single : B 20 DT C7 :methyl 150:sc= -0.778 (180deg=-0.778) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 13.115 -17.337 5.593 1.00 0.51 O ATOM 2 C5' DC A 1 12.755 -18.347 4.643 1.00 0.49 C ATOM 3 C4' DC A 1 11.419 -18.057 3.971 1.00 0.41 C ATOM 4 O4' DC A 1 10.371 -18.027 4.935 1.00 0.37 O ATOM 5 C3' DC A 1 11.435 -16.694 3.294 1.00 0.39 C ATOM 6 O3' DC A 1 11.847 -16.710 1.908 1.00 0.43 O ATOM 7 C2' DC A 1 9.988 -16.340 3.386 1.00 0.32 C ATOM 8 C1' DC A 1 9.302 -17.320 4.311 1.00 0.29 C ATOM 9 N1 DC A 1 8.539 -16.653 5.367 1.00 0.25 N ATOM 10 C2 DC A 1 7.194 -16.927 5.541 1.00 0.21 C ATOM 11 O2 DC A 1 6.589 -17.717 4.825 1.00 0.21 O ATOM 12 N3 DC A 1 6.537 -16.288 6.537 1.00 0.20 N ATOM 13 C4 DC A 1 7.168 -15.416 7.328 1.00 0.21 C ATOM 14 N4 DC A 1 6.461 -14.833 8.289 1.00 0.21 N ATOM 15 C5 DC A 1 8.562 -15.128 7.146 1.00 0.25 C ATOM 16 C6 DC A 1 9.190 -15.776 6.158 1.00 0.27 C ATOM 0 H5' DC A 1 12.705 -19.313 5.145 1.00 0.49 H new ATOM 0 H5'' DC A 1 13.533 -18.422 3.883 1.00 0.49 H new ATOM 0 H4' DC A 1 11.254 -18.847 3.239 1.00 0.41 H new ATOM 0 H3' DC A 1 12.146 -16.009 3.756 1.00 0.39 H new ATOM 0 H2' DC A 1 9.872 -15.323 3.761 1.00 0.32 H new ATOM 0 H2'' DC A 1 9.529 -16.370 2.398 1.00 0.32 H new ATOM 0 HO5' DC A 1 13.977 -17.564 6.001 1.00 0.51 H new ATOM 0 H1' DC A 1 8.604 -17.942 3.751 1.00 0.29 H new ATOM 0 H41 DC A 1 6.907 -14.161 8.914 1.00 0.21 H new ATOM 0 H42 DC A 1 5.472 -15.057 8.402 1.00 0.21 H new ATOM 0 H5 DC A 1 9.080 -14.421 7.777 1.00 0.25 H new ATOM 0 H6 DC A 1 10.241 -15.593 5.990 1.00 0.27 H new ATOM 29 P DC A 2 11.246 -17.682 0.741 1.00 0.42 P ATOM 30 OP1 DC A 2 11.466 -19.083 1.171 1.00 0.47 O ATOM 31 OP2 DC A 2 11.791 -17.219 -0.554 1.00 0.51 O ATOM 32 O5' DC A 2 9.651 -17.382 0.751 1.00 0.31 O ATOM 33 C5' DC A 2 8.674 -18.398 0.443 1.00 0.24 C ATOM 34 C4' DC A 2 7.222 -17.897 0.501 1.00 0.20 C ATOM 35 O4' DC A 2 6.866 -17.404 1.807 1.00 0.20 O ATOM 36 C3' DC A 2 6.931 -16.756 -0.498 1.00 0.23 C ATOM 37 O3' DC A 2 6.119 -17.132 -1.628 1.00 0.23 O ATOM 38 C2' DC A 2 6.251 -15.725 0.358 1.00 0.21 C ATOM 39 C1' DC A 2 5.802 -16.451 1.629 1.00 0.19 C ATOM 40 N1 DC A 2 5.798 -15.519 2.755 1.00 0.19 N ATOM 41 C2 DC A 2 4.697 -15.323 3.581 1.00 0.18 C ATOM 42 O2 DC A 2 3.634 -15.917 3.426 1.00 0.18 O ATOM 43 N3 DC A 2 4.814 -14.425 4.596 1.00 0.19 N ATOM 44 C4 DC A 2 5.955 -13.755 4.785 1.00 0.19 C ATOM 45 N4 DC A 2 6.033 -12.886 5.784 1.00 0.19 N ATOM 46 C5 DC A 2 7.066 -13.978 3.919 1.00 0.22 C ATOM 47 C6 DC A 2 6.929 -14.851 2.949 1.00 0.22 C ATOM 0 H5' DC A 2 8.791 -19.226 1.142 1.00 0.24 H new ATOM 0 H5'' DC A 2 8.874 -18.791 -0.554 1.00 0.24 H new ATOM 0 H4' DC A 2 6.630 -18.775 0.243 1.00 0.20 H new ATOM 0 H3' DC A 2 7.847 -16.409 -0.977 1.00 0.23 H new ATOM 0 H2' DC A 2 6.931 -14.908 0.597 1.00 0.21 H new ATOM 0 H2'' DC A 2 5.398 -15.288 -0.162 1.00 0.21 H new ATOM 0 H1' DC A 2 4.805 -16.887 1.567 1.00 0.19 H new ATOM 0 H41 DC A 2 6.897 -12.367 5.942 1.00 0.19 H new ATOM 0 H42 DC A 2 5.229 -12.737 6.394 1.00 0.19 H new ATOM 0 H5 DC A 2 7.994 -13.443 4.058 1.00 0.22 H new ATOM 0 H6 DC A 2 7.763 -15.032 2.287 1.00 0.22 H new ATOM 59 P DA A 3 4.652 -17.829 -1.560 1.00 0.20 P ATOM 60 OP1 DA A 3 4.656 -18.818 -0.456 1.00 0.21 O ATOM 61 OP2 DA A 3 4.314 -18.277 -2.929 1.00 0.29 O ATOM 62 O5' DA A 3 3.615 -16.652 -1.156 1.00 0.17 O ATOM 63 C5' DA A 3 2.225 -16.975 -0.948 1.00 0.18 C ATOM 64 C4' DA A 3 1.357 -15.833 -0.460 1.00 0.16 C ATOM 65 O4' DA A 3 1.798 -15.325 0.815 1.00 0.14 O ATOM 66 C3' DA A 3 1.244 -14.646 -1.416 1.00 0.15 C ATOM 67 O3' DA A 3 -0.009 -14.638 -2.123 1.00 0.15 O ATOM 68 C2' DA A 3 1.422 -13.491 -0.462 1.00 0.13 C ATOM 69 C1' DA A 3 1.246 -14.011 0.946 1.00 0.12 C ATOM 70 N9 DA A 3 2.051 -13.233 1.913 1.00 0.09 N ATOM 71 C8 DA A 3 3.345 -12.860 1.779 1.00 0.11 C ATOM 72 N7 DA A 3 3.844 -12.188 2.830 1.00 0.12 N ATOM 73 C5 DA A 3 2.790 -12.134 3.679 1.00 0.10 C ATOM 74 C6 DA A 3 2.651 -11.570 4.947 1.00 0.11 C ATOM 75 N6 DA A 3 3.652 -10.958 5.570 1.00 0.14 N ATOM 76 N1 DA A 3 1.462 -11.677 5.549 1.00 0.11 N ATOM 77 C2 DA A 3 0.467 -12.306 4.933 1.00 0.12 C ATOM 78 N3 DA A 3 0.472 -12.881 3.737 1.00 0.12 N ATOM 79 C4 DA A 3 1.684 -12.757 3.152 1.00 0.10 C ATOM 0 H5' DA A 3 2.163 -17.790 -0.226 1.00 0.18 H new ATOM 0 H5'' DA A 3 1.812 -17.348 -1.885 1.00 0.18 H new ATOM 0 H4' DA A 3 0.372 -16.293 -0.383 1.00 0.16 H new ATOM 0 H3' DA A 3 1.967 -14.640 -2.232 1.00 0.15 H new ATOM 0 H2' DA A 3 2.410 -13.047 -0.583 1.00 0.13 H new ATOM 0 H2'' DA A 3 0.693 -12.708 -0.672 1.00 0.13 H new ATOM 0 H1' DA A 3 0.219 -13.964 1.309 1.00 0.12 H new ATOM 0 H8 DA A 3 3.929 -13.084 0.899 1.00 0.11 H new ATOM 0 H61 DA A 3 3.508 -10.559 6.497 1.00 0.14 H new ATOM 0 H62 DA A 3 4.565 -10.887 5.121 1.00 0.14 H new ATOM 0 H2 DA A 3 -0.466 -12.356 5.475 1.00 0.12 H new ATOM 91 P DT A 4 -0.576 -13.382 -2.974 1.00 0.15 P ATOM 92 OP1 DT A 4 -1.480 -13.903 -4.025 1.00 0.21 O ATOM 93 OP2 DT A 4 0.559 -12.506 -3.346 1.00 0.21 O ATOM 94 O5' DT A 4 -1.461 -12.609 -1.869 1.00 0.16 O ATOM 95 C5' DT A 4 -2.630 -13.223 -1.301 1.00 0.18 C ATOM 96 C4' DT A 4 -3.370 -12.312 -0.320 1.00 0.18 C ATOM 97 O4' DT A 4 -2.538 -11.965 0.808 1.00 0.17 O ATOM 98 C3' DT A 4 -3.858 -11.011 -0.967 1.00 0.18 C ATOM 99 O3' DT A 4 -5.186 -10.670 -0.534 1.00 0.21 O ATOM 100 C2' DT A 4 -2.803 -10.049 -0.466 1.00 0.15 C ATOM 101 C1' DT A 4 -2.508 -10.540 0.948 1.00 0.12 C ATOM 102 N1 DT A 4 -1.179 -10.161 1.491 1.00 0.11 N ATOM 103 C2 DT A 4 -1.096 -9.727 2.810 1.00 0.12 C ATOM 104 O2 DT A 4 -2.066 -9.615 3.550 1.00 0.15 O ATOM 105 N3 DT A 4 0.163 -9.408 3.270 1.00 0.12 N ATOM 106 C4 DT A 4 1.329 -9.483 2.537 1.00 0.12 C ATOM 107 O4 DT A 4 2.396 -9.183 3.053 1.00 0.15 O ATOM 108 C5 DT A 4 1.150 -9.940 1.181 1.00 0.12 C ATOM 109 C7 DT A 4 2.325 -10.077 0.221 1.00 0.15 C ATOM 110 C6 DT A 4 -0.055 -10.254 0.717 1.00 0.11 C ATOM 0 H5' DT A 4 -2.339 -14.139 -0.787 1.00 0.18 H new ATOM 0 H5'' DT A 4 -3.309 -13.510 -2.104 1.00 0.18 H new ATOM 0 H4' DT A 4 -4.235 -12.888 0.009 1.00 0.18 H new ATOM 0 H3' DT A 4 -3.953 -11.036 -2.053 1.00 0.18 H new ATOM 0 H2' DT A 4 -1.911 -10.072 -1.092 1.00 0.15 H new ATOM 0 H2'' DT A 4 -3.166 -9.021 -0.465 1.00 0.15 H new ATOM 0 H1' DT A 4 -3.225 -10.100 1.642 1.00 0.12 H new ATOM 0 H3 DT A 4 0.239 -9.089 4.236 1.00 0.12 H new ATOM 0 H71 DT A 4 2.122 -10.877 -0.491 1.00 0.15 H new ATOM 0 H72 DT A 4 2.467 -9.140 -0.317 1.00 0.15 H new ATOM 0 H73 DT A 4 3.229 -10.313 0.783 1.00 0.15 H new ATOM 0 H6 DT A 4 -0.150 -10.593 -0.304 1.00 0.11 H new ATOM 123 P DC A 5 -5.974 -9.338 -1.012 1.00 0.23 P ATOM 124 OP1 DC A 5 -7.404 -9.685 -1.175 1.00 0.31 O ATOM 125 OP2 DC A 5 -5.233 -8.728 -2.141 1.00 0.29 O ATOM 126 O5' DC A 5 -5.816 -8.370 0.269 1.00 0.16 O ATOM 127 C5' DC A 5 -6.424 -8.701 1.530 1.00 0.15 C ATOM 128 C4' DC A 5 -6.077 -7.702 2.633 1.00 0.11 C ATOM 129 O4' DC A 5 -4.657 -7.673 2.871 1.00 0.13 O ATOM 130 C3' DC A 5 -6.543 -6.272 2.334 1.00 0.10 C ATOM 131 O3' DC A 5 -7.249 -5.719 3.452 1.00 0.10 O ATOM 132 C2' DC A 5 -5.222 -5.591 2.003 1.00 0.12 C ATOM 133 C1' DC A 5 -4.184 -6.319 2.865 1.00 0.10 C ATOM 134 N1 DC A 5 -2.789 -6.368 2.339 1.00 0.11 N ATOM 135 C2 DC A 5 -1.724 -6.061 3.182 1.00 0.12 C ATOM 136 O2 DC A 5 -1.878 -5.698 4.346 1.00 0.14 O ATOM 137 N3 DC A 5 -0.461 -6.153 2.688 1.00 0.13 N ATOM 138 C4 DC A 5 -0.237 -6.527 1.426 1.00 0.12 C ATOM 139 N4 DC A 5 1.016 -6.608 0.993 1.00 0.13 N ATOM 140 C5 DC A 5 -1.315 -6.840 0.548 1.00 0.13 C ATOM 141 C6 DC A 5 -2.560 -6.746 1.049 1.00 0.12 C ATOM 0 H5' DC A 5 -6.102 -9.697 1.833 1.00 0.15 H new ATOM 0 H5'' DC A 5 -7.506 -8.739 1.408 1.00 0.15 H new ATOM 0 H4' DC A 5 -6.611 -8.053 3.516 1.00 0.11 H new ATOM 0 H3' DC A 5 -7.267 -6.166 1.526 1.00 0.10 H new ATOM 0 H2' DC A 5 -4.987 -5.677 0.942 1.00 0.12 H new ATOM 0 H2'' DC A 5 -5.255 -4.527 2.237 1.00 0.12 H new ATOM 0 H1' DC A 5 -4.109 -5.794 3.817 1.00 0.10 H new ATOM 0 H41 DC A 5 1.206 -6.892 0.032 1.00 0.13 H new ATOM 0 H42 DC A 5 1.788 -6.386 1.622 1.00 0.13 H new ATOM 0 H5 DC A 5 -1.140 -7.140 -0.475 1.00 0.13 H new ATOM 0 H6 DC A 5 -3.401 -6.976 0.412 1.00 0.12 H new ATOM 153 P DG A 6 -8.029 -4.308 3.371 1.00 0.11 P ATOM 154 OP1 DG A 6 -9.035 -4.274 4.458 1.00 0.17 O ATOM 155 OP2 DG A 6 -8.455 -4.080 1.970 1.00 0.17 O ATOM 156 O5' DG A 6 -6.853 -3.269 3.719 1.00 0.13 O ATOM 157 C5' DG A 6 -6.330 -3.159 5.050 1.00 0.13 C ATOM 158 C4' DG A 6 -4.984 -2.448 5.076 1.00 0.11 C ATOM 159 O4' DG A 6 -3.981 -3.164 4.331 1.00 0.12 O ATOM 160 C3' DG A 6 -5.045 -1.045 4.446 1.00 0.11 C ATOM 161 O3' DG A 6 -5.153 0.017 5.398 1.00 0.12 O ATOM 162 C2' DG A 6 -3.714 -0.976 3.723 1.00 0.16 C ATOM 163 C1' DG A 6 -2.941 -2.192 4.196 1.00 0.13 C ATOM 164 N9 DG A 6 -1.907 -2.592 3.227 1.00 0.13 N ATOM 165 C8 DG A 6 -2.029 -3.133 1.982 1.00 0.15 C ATOM 166 N7 DG A 6 -0.838 -3.360 1.382 1.00 0.15 N ATOM 167 C5 DG A 6 0.067 -2.939 2.307 1.00 0.14 C ATOM 168 C6 DG A 6 1.486 -2.921 2.260 1.00 0.14 C ATOM 169 O6 DG A 6 2.242 -3.273 1.359 1.00 0.17 O ATOM 170 N1 DG A 6 2.036 -2.410 3.417 1.00 0.13 N ATOM 171 C2 DG A 6 1.330 -1.960 4.507 1.00 0.12 C ATOM 172 N2 DG A 6 2.055 -1.479 5.524 1.00 0.12 N ATOM 173 N3 DG A 6 -0.003 -1.972 4.553 1.00 0.11 N ATOM 174 C4 DG A 6 -0.564 -2.470 3.431 1.00 0.12 C ATOM 0 H5' DG A 6 -6.223 -4.154 5.481 1.00 0.13 H new ATOM 0 H5'' DG A 6 -7.039 -2.616 5.675 1.00 0.13 H new ATOM 0 H4' DG A 6 -4.729 -2.389 6.134 1.00 0.11 H new ATOM 0 H3' DG A 6 -5.927 -0.916 3.819 1.00 0.11 H new ATOM 0 H2' DG A 6 -3.852 -0.993 2.642 1.00 0.16 H new ATOM 0 H2'' DG A 6 -3.183 -0.054 3.962 1.00 0.16 H new ATOM 0 H1' DG A 6 -2.379 -2.035 5.116 1.00 0.13 H new ATOM 0 H8 DG A 6 -2.980 -3.358 1.521 1.00 0.15 H new ATOM 0 H1 DG A 6 3.054 -2.362 3.468 1.00 0.13 H new ATOM 0 H22 DG A 6 3.073 -1.462 5.461 1.00 0.12 H new ATOM 185 P DC A 7 -6.532 0.420 6.134 1.00 0.19 P ATOM 186 OP1 DC A 7 -6.569 -0.241 7.459 1.00 0.31 O ATOM 187 OP2 DC A 7 -7.659 0.241 5.188 1.00 0.28 O ATOM 188 O5' DC A 7 -6.306 2.007 6.340 1.00 0.18 O ATOM 189 C5' DC A 7 -5.773 2.667 7.501 1.00 0.16 C ATOM 190 C4' DC A 7 -4.537 2.018 8.158 1.00 0.15 C ATOM 191 O4' DC A 7 -3.480 1.629 7.269 1.00 0.14 O ATOM 192 C3' DC A 7 -4.029 2.887 9.283 1.00 0.14 C ATOM 193 O3' DC A 7 -3.933 2.145 10.511 1.00 0.15 O ATOM 194 C2' DC A 7 -2.628 3.130 8.831 1.00 0.12 C ATOM 195 C1' DC A 7 -2.393 2.525 7.470 1.00 0.11 C ATOM 196 N1 DC A 7 -2.019 3.289 6.250 1.00 0.12 N ATOM 197 C2 DC A 7 -0.733 3.827 6.130 1.00 0.13 C ATOM 198 O2 DC A 7 0.109 3.753 7.022 1.00 0.18 O ATOM 199 N3 DC A 7 -0.407 4.465 4.977 1.00 0.12 N ATOM 200 C4 DC A 7 -1.289 4.581 3.981 1.00 0.14 C ATOM 201 N4 DC A 7 -0.915 5.199 2.864 1.00 0.15 N ATOM 202 C5 DC A 7 -2.608 4.045 4.088 1.00 0.17 C ATOM 203 C6 DC A 7 -2.925 3.412 5.236 1.00 0.15 C ATOM 0 H5' DC A 7 -6.563 2.730 8.249 1.00 0.16 H new ATOM 0 H5'' DC A 7 -5.514 3.689 7.223 1.00 0.16 H new ATOM 0 H4' DC A 7 -4.894 1.066 8.552 1.00 0.15 H new ATOM 0 H3' DC A 7 -4.657 3.759 9.465 1.00 0.14 H new ATOM 0 H2' DC A 7 -2.433 4.202 8.796 1.00 0.12 H new ATOM 0 H2'' DC A 7 -1.930 2.702 9.550 1.00 0.12 H new ATOM 0 H1' DC A 7 -1.394 2.098 7.558 1.00 0.11 H new ATOM 0 H41 DC A 7 -1.573 5.298 2.091 1.00 0.15 H new ATOM 0 H42 DC A 7 0.030 5.574 2.780 1.00 0.15 H new ATOM 0 H5 DC A 7 -3.322 4.142 3.283 1.00 0.17 H new ATOM 0 H6 DC A 7 -3.914 2.995 5.355 1.00 0.15 H new ATOM 215 P DT A 8 -3.690 2.846 11.953 1.00 0.10 P ATOM 216 OP1 DT A 8 -3.311 1.780 12.909 1.00 0.15 O ATOM 217 OP2 DT A 8 -4.857 3.709 12.246 1.00 0.16 O ATOM 218 O5' DT A 8 -2.405 3.804 11.712 1.00 0.13 O ATOM 219 C5' DT A 8 -1.051 3.534 12.131 1.00 0.13 C ATOM 220 C4' DT A 8 -0.117 4.689 11.747 1.00 0.12 C ATOM 221 O4' DT A 8 -0.031 4.838 10.318 1.00 0.12 O ATOM 222 C3' DT A 8 -0.609 6.005 12.339 1.00 0.11 C ATOM 223 O3' DT A 8 0.260 6.420 13.417 1.00 0.14 O ATOM 224 C2' DT A 8 -0.594 6.895 11.138 1.00 0.11 C ATOM 225 C1' DT A 8 0.277 6.214 10.082 1.00 0.11 C ATOM 226 N1 DT A 8 -0.209 6.572 8.738 1.00 0.09 N ATOM 227 C2 DT A 8 0.617 7.059 7.761 1.00 0.11 C ATOM 228 O2 DT A 8 1.824 7.222 7.898 1.00 0.15 O ATOM 229 N3 DT A 8 -0.009 7.354 6.575 1.00 0.11 N ATOM 230 C4 DT A 8 -1.342 7.212 6.269 1.00 0.13 C ATOM 231 O4 DT A 8 -1.738 7.508 5.146 1.00 0.17 O ATOM 232 C5 DT A 8 -2.111 6.692 7.370 1.00 0.13 C ATOM 233 C7 DT A 8 -3.608 6.439 7.335 1.00 0.19 C ATOM 234 C6 DT A 8 -1.516 6.408 8.511 1.00 0.10 C ATOM 0 H5' DT A 8 -0.701 2.610 11.670 1.00 0.13 H new ATOM 0 H5'' DT A 8 -1.024 3.383 13.210 1.00 0.13 H new ATOM 0 H4' DT A 8 0.868 4.447 12.147 1.00 0.12 H new ATOM 0 H3' DT A 8 -1.592 5.985 12.809 1.00 0.11 H new ATOM 0 H2' DT A 8 -1.605 7.050 10.761 1.00 0.11 H new ATOM 0 H2'' DT A 8 -0.194 7.877 11.392 1.00 0.11 H new ATOM 0 H1' DT A 8 1.334 6.474 10.136 1.00 0.11 H new ATOM 0 H3 DT A 8 0.586 7.722 5.833 1.00 0.11 H new ATOM 0 H71 DT A 8 -4.080 7.145 6.652 1.00 0.19 H new ATOM 0 H72 DT A 8 -3.797 5.421 6.993 1.00 0.19 H new ATOM 0 H73 DT A 8 -4.022 6.569 8.335 1.00 0.19 H new ATOM 0 H6 DT A 8 -2.123 6.018 9.314 1.00 0.10 H new ATOM 247 P DA A 9 0.716 7.931 13.814 1.00 0.14 P ATOM 248 OP1 DA A 9 1.279 7.882 15.182 1.00 0.19 O ATOM 249 OP2 DA A 9 -0.410 8.848 13.523 1.00 0.19 O ATOM 250 O5' DA A 9 1.920 8.275 12.782 1.00 0.13 O ATOM 251 C5' DA A 9 3.152 7.532 12.821 1.00 0.12 C ATOM 252 C4' DA A 9 4.294 8.099 11.972 1.00 0.11 C ATOM 253 O4' DA A 9 3.985 8.165 10.574 1.00 0.11 O ATOM 254 C3' DA A 9 4.748 9.450 12.433 1.00 0.11 C ATOM 255 O3' DA A 9 6.179 9.547 12.406 1.00 0.12 O ATOM 256 C2' DA A 9 4.016 10.274 11.477 1.00 0.10 C ATOM 257 C1' DA A 9 4.020 9.539 10.188 1.00 0.10 C ATOM 258 N9 DA A 9 2.801 9.792 9.418 1.00 0.09 N ATOM 259 C8 DA A 9 1.540 9.707 9.876 1.00 0.11 C ATOM 260 N7 DA A 9 0.592 9.942 8.948 1.00 0.12 N ATOM 261 C5 DA A 9 1.333 10.196 7.834 1.00 0.10 C ATOM 262 C6 DA A 9 0.973 10.514 6.521 1.00 0.12 C ATOM 263 N6 DA A 9 -0.297 10.603 6.139 1.00 0.13 N ATOM 264 N1 DA A 9 1.959 10.714 5.638 1.00 0.13 N ATOM 265 C2 DA A 9 3.225 10.601 6.033 1.00 0.13 C ATOM 266 N3 DA A 9 3.688 10.304 7.232 1.00 0.11 N ATOM 267 C4 DA A 9 2.676 10.112 8.097 1.00 0.09 C ATOM 0 H5' DA A 9 2.951 6.512 12.493 1.00 0.12 H new ATOM 0 H5'' DA A 9 3.487 7.473 13.856 1.00 0.12 H new ATOM 0 H4' DA A 9 5.106 7.386 12.112 1.00 0.11 H new ATOM 0 H3' DA A 9 4.545 9.734 13.466 1.00 0.11 H new ATOM 0 H2' DA A 9 2.996 10.450 11.819 1.00 0.10 H new ATOM 0 H2'' DA A 9 4.488 11.250 11.367 1.00 0.10 H new ATOM 0 H1' DA A 9 4.875 9.832 9.578 1.00 0.10 H new ATOM 0 H8 DA A 9 1.306 9.470 10.903 1.00 0.11 H new ATOM 0 H61 DA A 9 -0.524 10.837 5.172 1.00 0.13 H new ATOM 0 H62 DA A 9 -1.045 10.437 6.812 1.00 0.13 H new ATOM 0 H2 DA A 9 3.971 10.775 5.272 1.00 0.13 H new ATOM 279 P DC A 10 6.976 10.908 12.732 1.00 0.12 P ATOM 280 OP1 DC A 10 8.405 10.573 12.932 1.00 0.19 O ATOM 281 OP2 DC A 10 6.240 11.652 13.781 1.00 0.19 O ATOM 282 O5' DC A 10 6.817 11.695 11.334 1.00 0.16 O ATOM 283 C5' DC A 10 7.613 11.377 10.177 1.00 0.15 C ATOM 284 C4' DC A 10 7.288 12.301 9.006 1.00 0.13 C ATOM 285 O4' DC A 10 5.965 12.092 8.538 1.00 0.15 O ATOM 286 C3' DC A 10 7.408 13.753 9.453 1.00 0.12 C ATOM 287 O3' DC A 10 8.582 14.434 8.962 1.00 0.15 O ATOM 288 C2' DC A 10 6.134 14.321 8.951 1.00 0.12 C ATOM 289 C1' DC A 10 5.558 13.348 7.989 1.00 0.12 C ATOM 290 N1 DC A 10 4.099 13.336 8.077 1.00 0.11 N ATOM 291 C2 DC A 10 3.278 13.595 6.997 1.00 0.12 C ATOM 292 O2 DC A 10 3.713 13.913 5.894 1.00 0.14 O ATOM 293 N3 DC A 10 1.940 13.506 7.198 1.00 0.12 N ATOM 294 C4 DC A 10 1.438 13.183 8.395 1.00 0.12 C ATOM 295 N4 DC A 10 0.117 13.110 8.479 1.00 0.15 N ATOM 296 C5 DC A 10 2.303 12.919 9.516 1.00 0.13 C ATOM 297 C6 DC A 10 3.610 13.017 9.283 1.00 0.12 C ATOM 0 H5' DC A 10 7.436 10.342 9.885 1.00 0.15 H new ATOM 0 H5'' DC A 10 8.671 11.462 10.427 1.00 0.15 H new ATOM 0 H4' DC A 10 7.992 12.081 8.203 1.00 0.13 H new ATOM 0 H3' DC A 10 7.546 13.861 10.529 1.00 0.12 H new ATOM 0 H2' DC A 10 5.443 14.500 9.775 1.00 0.12 H new ATOM 0 H2'' DC A 10 6.308 15.282 8.466 1.00 0.12 H new ATOM 0 H1' DC A 10 5.863 13.565 6.965 1.00 0.12 H new ATOM 0 H41 DC A 10 -0.325 12.868 9.366 1.00 0.15 H new ATOM 0 H42 DC A 10 -0.457 13.296 7.657 1.00 0.15 H new ATOM 0 H5 DC A 10 1.914 12.657 10.489 1.00 0.13 H new ATOM 0 H6 DC A 10 4.300 12.833 10.094 1.00 0.12 H new ATOM 309 P DC A 11 9.000 14.608 7.399 1.00 0.14 P ATOM 310 OP1 DC A 11 8.798 13.318 6.699 1.00 0.24 O ATOM 311 OP2 DC A 11 10.325 15.266 7.365 1.00 0.27 O ATOM 312 O5' DC A 11 7.910 15.659 6.835 1.00 0.17 O ATOM 313 C5' DC A 11 7.987 16.205 5.504 1.00 0.15 C ATOM 314 C4' DC A 11 6.852 17.191 5.232 1.00 0.12 C ATOM 315 O4' DC A 11 5.550 16.603 5.357 1.00 0.14 O ATOM 316 C3' DC A 11 6.867 18.317 6.238 1.00 0.14 C ATOM 317 O3' DC A 11 7.818 19.343 5.943 1.00 0.19 O ATOM 318 C2' DC A 11 5.430 18.785 6.221 1.00 0.15 C ATOM 319 C1' DC A 11 4.641 17.707 5.489 1.00 0.14 C ATOM 320 N1 DC A 11 3.508 17.285 6.325 1.00 0.10 N ATOM 321 C2 DC A 11 2.203 17.372 5.878 1.00 0.13 C ATOM 322 O2 DC A 11 1.917 17.799 4.764 1.00 0.14 O ATOM 323 N3 DC A 11 1.217 16.960 6.716 1.00 0.13 N ATOM 324 C4 DC A 11 1.500 16.485 7.933 1.00 0.11 C ATOM 325 N4 DC A 11 0.492 16.111 8.710 1.00 0.15 N ATOM 326 C5 DC A 11 2.852 16.396 8.388 1.00 0.10 C ATOM 327 C6 DC A 11 3.798 16.809 7.547 1.00 0.10 C ATOM 0 H5' DC A 11 7.948 15.395 4.775 1.00 0.15 H new ATOM 0 H5'' DC A 11 8.945 16.707 5.371 1.00 0.15 H new ATOM 0 H4' DC A 11 7.022 17.531 4.210 1.00 0.12 H new ATOM 0 H3' DC A 11 7.198 18.002 7.228 1.00 0.14 H new ATOM 0 H2' DC A 11 5.053 18.923 7.235 1.00 0.15 H new ATOM 0 H2'' DC A 11 5.339 19.746 5.714 1.00 0.15 H new ATOM 0 HO3' DC A 11 7.773 20.039 6.632 1.00 0.19 H new ATOM 0 H1' DC A 11 4.260 18.056 4.529 1.00 0.14 H new ATOM 0 H41 DC A 11 0.677 15.745 9.644 1.00 0.15 H new ATOM 0 H42 DC A 11 -0.468 16.190 8.374 1.00 0.15 H new ATOM 0 H5 DC A 11 3.095 16.012 9.368 1.00 0.10 H new ATOM 0 H6 DC A 11 4.831 16.760 7.857 1.00 0.10 H new TER 340 DC A 11 ATOM 341 O5' DG B 12 -9.013 15.695 2.673 1.00 0.21 O ATOM 342 C5' DG B 12 -8.694 16.447 1.498 1.00 0.19 C ATOM 343 C4' DG B 12 -7.206 16.406 1.181 1.00 0.17 C ATOM 344 O4' DG B 12 -6.415 16.948 2.262 1.00 0.19 O ATOM 345 C3' DG B 12 -6.709 14.974 0.905 1.00 0.16 C ATOM 346 O3' DG B 12 -5.699 14.912 -0.110 1.00 0.19 O ATOM 347 C2' DG B 12 -6.045 14.711 2.216 1.00 0.20 C ATOM 348 C1' DG B 12 -5.348 16.024 2.482 1.00 0.20 C ATOM 349 N9 DG B 12 -4.812 16.049 3.840 1.00 0.21 N ATOM 350 C8 DG B 12 -5.448 15.767 4.997 1.00 0.24 C ATOM 351 N7 DG B 12 -4.650 15.861 6.086 1.00 0.26 N ATOM 352 C5 DG B 12 -3.450 16.224 5.558 1.00 0.23 C ATOM 353 C6 DG B 12 -2.204 16.480 6.197 1.00 0.23 C ATOM 354 O6 DG B 12 -1.898 16.426 7.383 1.00 0.28 O ATOM 355 N1 DG B 12 -1.229 16.827 5.287 1.00 0.20 N ATOM 356 C2 DG B 12 -1.411 16.921 3.931 1.00 0.18 C ATOM 357 N2 DG B 12 -0.370 17.262 3.199 1.00 0.17 N ATOM 358 N3 DG B 12 -2.560 16.687 3.317 1.00 0.18 N ATOM 359 C4 DG B 12 -3.531 16.344 4.191 1.00 0.20 C ATOM 0 H5' DG B 12 -9.007 17.482 1.634 1.00 0.19 H new ATOM 0 H5'' DG B 12 -9.256 16.052 0.651 1.00 0.19 H new ATOM 0 H4' DG B 12 -7.082 17.014 0.285 1.00 0.17 H new ATOM 0 H3' DG B 12 -7.497 14.298 0.573 1.00 0.16 H new ATOM 0 H2' DG B 12 -6.765 14.466 2.996 1.00 0.20 H new ATOM 0 H2'' DG B 12 -5.342 13.880 2.158 1.00 0.20 H new ATOM 0 HO5' DG B 12 -9.977 15.748 2.843 1.00 0.21 H new ATOM 0 H1' DG B 12 -4.478 16.237 1.861 1.00 0.20 H new ATOM 0 H8 DG B 12 -6.491 15.493 5.048 1.00 0.24 H new ATOM 0 H1 DG B 12 -0.298 17.030 5.651 1.00 0.20 H new ATOM 0 H21 DG B 12 -0.463 17.343 2.186 1.00 0.17 H new ATOM 0 H22 DG B 12 0.529 17.445 3.645 1.00 0.17 H new ATOM 372 P DG B 13 -5.973 15.115 -1.681 1.00 0.17 P ATOM 373 OP1 DG B 13 -6.570 16.455 -1.888 1.00 0.22 O ATOM 374 OP2 DG B 13 -6.674 13.912 -2.185 1.00 0.24 O ATOM 375 O5' DG B 13 -4.476 15.112 -2.275 1.00 0.23 O ATOM 376 C5' DG B 13 -3.587 16.245 -2.307 1.00 0.25 C ATOM 377 C4' DG B 13 -2.199 15.894 -1.767 1.00 0.24 C ATOM 378 O4' DG B 13 -2.124 15.817 -0.334 1.00 0.24 O ATOM 379 C3' DG B 13 -1.668 14.592 -2.352 1.00 0.28 C ATOM 380 O3' DG B 13 -0.403 14.713 -3.026 1.00 0.27 O ATOM 381 C2' DG B 13 -1.562 13.812 -1.109 1.00 0.22 C ATOM 382 C1' DG B 13 -1.194 14.771 -0.047 1.00 0.21 C ATOM 383 N9 DG B 13 -1.420 14.249 1.301 1.00 0.19 N ATOM 384 C8 DG B 13 -2.553 13.701 1.776 1.00 0.19 C ATOM 385 N7 DG B 13 -2.482 13.363 3.087 1.00 0.18 N ATOM 386 C5 DG B 13 -1.215 13.724 3.430 1.00 0.15 C ATOM 387 C6 DG B 13 -0.530 13.620 4.679 1.00 0.14 C ATOM 388 O6 DG B 13 -0.923 13.208 5.765 1.00 0.17 O ATOM 389 N1 DG B 13 0.759 14.098 4.598 1.00 0.14 N ATOM 390 C2 DG B 13 1.338 14.618 3.469 1.00 0.17 C ATOM 391 N2 DG B 13 2.593 15.016 3.564 1.00 0.20 N ATOM 392 N3 DG B 13 0.717 14.731 2.300 1.00 0.17 N ATOM 393 C4 DG B 13 -0.551 14.264 2.353 1.00 0.16 C ATOM 0 H5' DG B 13 -4.012 17.057 -1.717 1.00 0.25 H new ATOM 0 H5'' DG B 13 -3.498 16.608 -3.331 1.00 0.25 H new ATOM 0 H4' DG B 13 -1.576 16.729 -2.087 1.00 0.24 H new ATOM 0 H3' DG B 13 -2.292 14.169 -3.139 1.00 0.28 H new ATOM 0 H2' DG B 13 -2.506 13.319 -0.878 1.00 0.22 H new ATOM 0 H2'' DG B 13 -0.809 13.030 -1.204 1.00 0.22 H new ATOM 0 H1' DG B 13 -0.139 15.045 -0.049 1.00 0.21 H new ATOM 0 H8 DG B 13 -3.434 13.545 1.171 1.00 0.19 H new ATOM 0 H1 DG B 13 1.328 14.062 5.444 1.00 0.14 H new ATOM 0 H21 DG B 13 3.066 15.410 2.751 1.00 0.20 H new ATOM 0 H22 DG B 13 3.090 14.930 4.451 1.00 0.20 H new ATOM 405 P DT B 14 0.332 13.451 -3.722 1.00 0.21 P ATOM 406 OP1 DT B 14 -0.362 13.185 -5.003 1.00 0.31 O ATOM 407 OP2 DT B 14 0.453 12.362 -2.725 1.00 0.18 O ATOM 408 O5' DT B 14 1.809 14.005 -4.082 1.00 0.18 O ATOM 409 C5' DT B 14 2.775 14.615 -3.198 1.00 0.17 C ATOM 410 C4' DT B 14 3.327 13.716 -2.077 1.00 0.15 C ATOM 411 O4' DT B 14 2.483 13.507 -0.925 1.00 0.14 O ATOM 412 C3' DT B 14 3.856 12.364 -2.552 1.00 0.15 C ATOM 413 O3' DT B 14 5.290 12.276 -2.383 1.00 0.23 O ATOM 414 C2' DT B 14 2.978 11.502 -1.701 1.00 0.14 C ATOM 415 C1' DT B 14 2.886 12.240 -0.391 1.00 0.13 C ATOM 416 N1 DT B 14 1.948 11.748 0.631 1.00 0.13 N ATOM 417 C2 DT B 14 2.303 11.715 1.971 1.00 0.12 C ATOM 418 O2 DT B 14 3.396 12.063 2.404 1.00 0.14 O ATOM 419 N3 DT B 14 1.334 11.258 2.833 1.00 0.12 N ATOM 420 C4 DT B 14 0.072 10.843 2.485 1.00 0.16 C ATOM 421 O4 DT B 14 -0.700 10.474 3.365 1.00 0.20 O ATOM 422 C5 DT B 14 -0.189 10.918 1.065 1.00 0.16 C ATOM 423 C7 DT B 14 -1.503 10.529 0.429 1.00 0.21 C ATOM 424 C6 DT B 14 0.738 11.353 0.229 1.00 0.15 C ATOM 0 H5' DT B 14 2.316 15.492 -2.741 1.00 0.17 H new ATOM 0 H5'' DT B 14 3.613 14.970 -3.798 1.00 0.17 H new ATOM 0 H4' DT B 14 4.158 14.337 -1.742 1.00 0.15 H new ATOM 0 H3' DT B 14 3.794 12.101 -3.608 1.00 0.15 H new ATOM 0 H2' DT B 14 1.995 11.369 -2.152 1.00 0.14 H new ATOM 0 H2'' DT B 14 3.405 10.508 -1.568 1.00 0.14 H new ATOM 0 H1' DT B 14 3.803 12.176 0.195 1.00 0.13 H new ATOM 0 H3 DT B 14 1.575 11.224 3.824 1.00 0.12 H new ATOM 0 H71 DT B 14 -1.664 11.126 -0.469 1.00 0.21 H new ATOM 0 H72 DT B 14 -1.480 9.472 0.163 1.00 0.21 H new ATOM 0 H73 DT B 14 -2.315 10.708 1.134 1.00 0.21 H new ATOM 0 H6 DT B 14 0.506 11.390 -0.825 1.00 0.15 H new ATOM 437 P DA B 15 6.143 11.284 -1.424 1.00 0.23 P ATOM 438 OP1 DA B 15 7.545 11.292 -1.898 1.00 0.31 O ATOM 439 OP2 DA B 15 5.414 9.997 -1.326 1.00 0.28 O ATOM 440 O5' DA B 15 6.084 12.012 0.015 1.00 0.21 O ATOM 441 C5' DA B 15 7.164 12.085 0.969 1.00 0.18 C ATOM 442 C4' DA B 15 7.429 10.782 1.751 1.00 0.13 C ATOM 443 O4' DA B 15 6.196 10.327 2.329 1.00 0.12 O ATOM 444 C3' DA B 15 8.034 9.597 0.979 1.00 0.14 C ATOM 445 O3' DA B 15 9.109 9.004 1.720 1.00 0.14 O ATOM 446 C2' DA B 15 6.871 8.685 0.856 1.00 0.14 C ATOM 447 C1' DA B 15 6.071 8.924 2.097 1.00 0.11 C ATOM 448 N9 DA B 15 4.646 8.653 1.904 1.00 0.08 N ATOM 449 C8 DA B 15 3.909 8.687 0.769 1.00 0.10 C ATOM 450 N7 DA B 15 2.599 8.427 0.961 1.00 0.11 N ATOM 451 C5 DA B 15 2.533 8.217 2.301 1.00 0.09 C ATOM 452 C6 DA B 15 1.477 7.904 3.156 1.00 0.11 C ATOM 453 N6 DA B 15 0.215 7.755 2.763 1.00 0.14 N ATOM 454 N1 DA B 15 1.775 7.763 4.447 1.00 0.11 N ATOM 455 C2 DA B 15 3.015 7.917 4.888 1.00 0.11 C ATOM 456 N3 DA B 15 4.085 8.212 4.187 1.00 0.11 N ATOM 457 C4 DA B 15 3.766 8.350 2.885 1.00 0.08 C ATOM 0 H5' DA B 15 6.947 12.881 1.681 1.00 0.18 H new ATOM 0 H5'' DA B 15 8.076 12.368 0.443 1.00 0.18 H new ATOM 0 H4' DA B 15 8.190 11.072 2.475 1.00 0.13 H new ATOM 0 H3' DA B 15 8.474 9.862 0.018 1.00 0.14 H new ATOM 0 H2' DA B 15 6.289 8.904 -0.039 1.00 0.14 H new ATOM 0 H2'' DA B 15 7.189 7.645 0.783 1.00 0.14 H new ATOM 0 H1' DA B 15 6.425 8.281 2.903 1.00 0.11 H new ATOM 0 H8 DA B 15 4.331 8.903 -0.201 1.00 0.10 H new ATOM 0 H61 DA B 15 -0.508 7.525 3.445 1.00 0.14 H new ATOM 0 H62 DA B 15 -0.030 7.870 1.780 1.00 0.14 H new ATOM 0 H2 DA B 15 3.163 7.784 5.950 1.00 0.11 H new ATOM 469 P DG B 16 9.888 7.668 1.258 1.00 0.17 P ATOM 470 OP1 DG B 16 10.687 7.998 0.054 1.00 0.22 O ATOM 471 OP2 DG B 16 8.933 6.535 1.212 1.00 0.21 O ATOM 472 O5' DG B 16 10.915 7.445 2.482 1.00 0.17 O ATOM 473 C5' DG B 16 10.601 7.432 3.891 1.00 0.16 C ATOM 474 C4' DG B 16 9.595 6.377 4.347 1.00 0.15 C ATOM 475 O4' DG B 16 8.222 6.661 4.050 1.00 0.16 O ATOM 476 C3' DG B 16 9.895 5.018 3.751 1.00 0.16 C ATOM 477 O3' DG B 16 10.927 4.341 4.487 1.00 0.19 O ATOM 478 C2' DG B 16 8.515 4.383 3.904 1.00 0.16 C ATOM 479 C1' DG B 16 7.546 5.442 4.399 1.00 0.14 C ATOM 480 N9 DG B 16 6.265 5.361 3.689 1.00 0.11 N ATOM 481 C8 DG B 16 6.115 5.461 2.359 1.00 0.11 C ATOM 482 N7 DG B 16 4.840 5.350 1.939 1.00 0.11 N ATOM 483 C5 DG B 16 4.152 5.166 3.097 1.00 0.08 C ATOM 484 C6 DG B 16 2.760 4.981 3.300 1.00 0.09 C ATOM 485 O6 DG B 16 1.850 4.960 2.479 1.00 0.12 O ATOM 486 N1 DG B 16 2.449 4.821 4.627 1.00 0.09 N ATOM 487 C2 DG B 16 3.343 4.834 5.661 1.00 0.12 C ATOM 488 N2 DG B 16 2.843 4.653 6.876 1.00 0.18 N ATOM 489 N3 DG B 16 4.655 5.009 5.495 1.00 0.13 N ATOM 490 C4 DG B 16 4.994 5.168 4.188 1.00 0.09 C ATOM 0 H5' DG B 16 10.216 8.414 4.165 1.00 0.16 H new ATOM 0 H5'' DG B 16 11.527 7.286 4.447 1.00 0.16 H new ATOM 0 H4' DG B 16 9.717 6.388 5.430 1.00 0.15 H new ATOM 0 H3' DG B 16 10.284 5.007 2.733 1.00 0.16 H new ATOM 0 H2' DG B 16 8.177 3.978 2.950 1.00 0.16 H new ATOM 0 H2'' DG B 16 8.557 3.551 4.607 1.00 0.16 H new ATOM 0 H1' DG B 16 7.309 5.346 5.459 1.00 0.14 H new ATOM 0 H8 DG B 16 6.944 5.617 1.685 1.00 0.11 H new ATOM 0 H1 DG B 16 1.466 4.680 4.862 1.00 0.09 H new ATOM 0 H21 DG B 16 3.461 4.653 7.687 1.00 0.18 H new ATOM 0 H22 DG B 16 1.840 4.514 6.999 1.00 0.18 H new ATOM 502 P DC B 17 11.659 2.981 3.989 1.00 0.21 P ATOM 503 OP1 DC B 17 12.895 2.803 4.786 1.00 0.27 O ATOM 504 OP2 DC B 17 11.739 3.008 2.510 1.00 0.24 O ATOM 505 O5' DC B 17 10.615 1.827 4.413 1.00 0.23 O ATOM 506 C5' DC B 17 10.129 1.726 5.760 1.00 0.23 C ATOM 507 C4' DC B 17 9.129 0.590 5.950 1.00 0.22 C ATOM 508 O4' DC B 17 8.068 0.629 4.982 1.00 0.21 O ATOM 509 C3' DC B 17 9.770 -0.788 5.802 1.00 0.23 C ATOM 510 O3' DC B 17 10.335 -1.173 7.073 1.00 0.26 O ATOM 511 C2' DC B 17 8.596 -1.620 5.282 1.00 0.22 C ATOM 512 C1' DC B 17 7.432 -0.657 5.059 1.00 0.19 C ATOM 513 N1 DC B 17 6.656 -0.946 3.823 1.00 0.19 N ATOM 514 C2 DC B 17 5.447 -1.627 3.939 1.00 0.17 C ATOM 515 O2 DC B 17 4.978 -1.966 5.022 1.00 0.17 O ATOM 516 N3 DC B 17 4.749 -1.907 2.813 1.00 0.17 N ATOM 517 C4 DC B 17 5.198 -1.543 1.613 1.00 0.19 C ATOM 518 N4 DC B 17 4.464 -1.854 0.551 1.00 0.21 N ATOM 519 C5 DC B 17 6.434 -0.838 1.464 1.00 0.21 C ATOM 520 C6 DC B 17 7.126 -0.562 2.591 1.00 0.20 C ATOM 0 H5' DC B 17 9.658 2.668 6.042 1.00 0.23 H new ATOM 0 H5'' DC B 17 10.972 1.577 6.434 1.00 0.23 H new ATOM 0 H4' DC B 17 8.749 0.737 6.961 1.00 0.22 H new ATOM 0 H3' DC B 17 10.617 -0.886 5.123 1.00 0.23 H new ATOM 0 H2' DC B 17 8.862 -2.125 4.353 1.00 0.22 H new ATOM 0 H2'' DC B 17 8.324 -2.394 5.999 1.00 0.22 H new ATOM 0 H1' DC B 17 6.693 -0.733 5.857 1.00 0.19 H new ATOM 0 H41 DC B 17 4.780 -1.590 -0.382 1.00 0.21 H new ATOM 0 H42 DC B 17 3.585 -2.357 0.669 1.00 0.21 H new ATOM 0 H5 DC B 17 6.798 -0.539 0.492 1.00 0.21 H new ATOM 0 H6 DC B 17 8.064 -0.031 2.522 1.00 0.20 H new ATOM 532 P DG B 18 10.226 -2.608 7.816 1.00 0.27 P ATOM 533 OP1 DG B 18 10.867 -2.493 9.146 1.00 0.31 O ATOM 534 OP2 DG B 18 10.670 -3.664 6.875 1.00 0.29 O ATOM 535 O5' DG B 18 8.633 -2.755 8.032 1.00 0.23 O ATOM 536 C5' DG B 18 7.843 -1.700 8.612 1.00 0.22 C ATOM 537 C4' DG B 18 6.424 -2.107 8.900 1.00 0.16 C ATOM 538 O4' DG B 18 5.683 -2.487 7.733 1.00 0.17 O ATOM 539 C3' DG B 18 6.383 -3.271 9.894 1.00 0.17 C ATOM 540 O3' DG B 18 5.588 -2.967 11.055 1.00 0.18 O ATOM 541 C2' DG B 18 5.850 -4.344 8.998 1.00 0.14 C ATOM 542 C1' DG B 18 4.879 -3.610 8.106 1.00 0.13 C ATOM 543 N9 DG B 18 4.577 -4.344 6.872 1.00 0.12 N ATOM 544 C8 DG B 18 5.505 -4.894 6.074 1.00 0.14 C ATOM 545 N7 DG B 18 5.012 -5.473 4.964 1.00 0.14 N ATOM 546 C5 DG B 18 3.674 -5.269 5.088 1.00 0.12 C ATOM 547 C6 DG B 18 2.621 -5.657 4.221 1.00 0.11 C ATOM 548 O6 DG B 18 2.669 -6.252 3.149 1.00 0.13 O ATOM 549 N1 DG B 18 1.394 -5.270 4.697 1.00 0.09 N ATOM 550 C2 DG B 18 1.177 -4.590 5.865 1.00 0.10 C ATOM 551 N2 DG B 18 -0.086 -4.318 6.149 1.00 0.11 N ATOM 552 N3 DG B 18 2.152 -4.210 6.696 1.00 0.11 N ATOM 553 C4 DG B 18 3.376 -4.583 6.246 1.00 0.11 C ATOM 0 H5' DG B 18 7.838 -0.846 7.935 1.00 0.22 H new ATOM 0 H5'' DG B 18 8.314 -1.370 9.538 1.00 0.22 H new ATOM 0 H4' DG B 18 5.953 -1.218 9.320 1.00 0.16 H new ATOM 0 H3' DG B 18 7.327 -3.543 10.367 1.00 0.17 H new ATOM 0 H2' DG B 18 6.645 -4.817 8.422 1.00 0.14 H new ATOM 0 H2'' DG B 18 5.356 -5.132 9.566 1.00 0.14 H new ATOM 0 H1' DG B 18 3.924 -3.417 8.594 1.00 0.13 H new ATOM 0 H8 DG B 18 6.560 -4.874 6.304 1.00 0.14 H new ATOM 0 H1 DG B 18 0.577 -5.508 4.135 1.00 0.09 H new ATOM 0 H21 DG B 18 -0.319 -3.814 7.004 1.00 0.11 H new ATOM 0 H22 DG B 18 -0.827 -4.613 5.513 1.00 0.11 H new ATOM 565 P DA B 19 5.044 -4.058 12.120 1.00 0.20 P ATOM 566 OP1 DA B 19 5.067 -3.439 13.465 1.00 0.26 O ATOM 567 OP2 DA B 19 5.743 -5.342 11.888 1.00 0.23 O ATOM 568 O5' DA B 19 3.502 -4.237 11.666 1.00 0.18 O ATOM 569 C5' DA B 19 2.515 -3.208 11.881 1.00 0.20 C ATOM 570 C4' DA B 19 1.081 -3.731 11.714 1.00 0.18 C ATOM 571 O4' DA B 19 0.796 -4.155 10.373 1.00 0.16 O ATOM 572 C3' DA B 19 0.722 -4.847 12.663 1.00 0.15 C ATOM 573 O3' DA B 19 -0.631 -4.747 13.135 1.00 0.16 O ATOM 574 C2' DA B 19 0.968 -5.986 11.759 1.00 0.11 C ATOM 575 C1' DA B 19 0.480 -5.549 10.407 1.00 0.11 C ATOM 576 N9 DA B 19 1.276 -6.187 9.348 1.00 0.11 N ATOM 577 C8 DA B 19 2.626 -6.179 9.263 1.00 0.13 C ATOM 578 N7 DA B 19 3.116 -6.818 8.189 1.00 0.13 N ATOM 579 C5 DA B 19 1.994 -7.253 7.564 1.00 0.11 C ATOM 580 C6 DA B 19 1.817 -7.983 6.391 1.00 0.13 C ATOM 581 N6 DA B 19 2.857 -8.368 5.672 1.00 0.16 N ATOM 582 N1 DA B 19 0.568 -8.280 6.006 1.00 0.13 N ATOM 583 C2 DA B 19 -0.450 -7.863 6.760 1.00 0.11 C ATOM 584 N3 DA B 19 -0.413 -7.166 7.888 1.00 0.10 N ATOM 585 C4 DA B 19 0.860 -6.888 8.241 1.00 0.10 C ATOM 0 H5' DA B 19 2.686 -2.392 11.179 1.00 0.20 H new ATOM 0 H5'' DA B 19 2.635 -2.797 12.883 1.00 0.20 H new ATOM 0 H4' DA B 19 0.463 -2.867 11.958 1.00 0.18 H new ATOM 0 H3' DA B 19 1.274 -4.885 13.602 1.00 0.15 H new ATOM 0 H2' DA B 19 2.028 -6.239 11.729 1.00 0.11 H new ATOM 0 H2'' DA B 19 0.437 -6.876 12.098 1.00 0.11 H new ATOM 0 H1' DA B 19 -0.572 -5.791 10.256 1.00 0.11 H new ATOM 0 H8 DA B 19 3.256 -5.699 9.997 1.00 0.13 H new ATOM 0 H61 DA B 19 2.715 -8.902 4.815 1.00 0.16 H new ATOM 0 H62 DA B 19 3.802 -8.131 5.974 1.00 0.16 H new ATOM 0 H2 DA B 19 -1.435 -8.128 6.405 1.00 0.11 H new ATOM 597 P DT B 20 -1.276 -5.785 14.193 1.00 0.21 P ATOM 598 OP1 DT B 20 -2.474 -5.139 14.777 1.00 0.27 O ATOM 599 OP2 DT B 20 -0.203 -6.274 15.090 1.00 0.24 O ATOM 600 O5' DT B 20 -1.755 -7.017 13.263 1.00 0.20 O ATOM 601 C5' DT B 20 -2.939 -6.943 12.448 1.00 0.20 C ATOM 602 C4' DT B 20 -3.128 -8.186 11.576 1.00 0.17 C ATOM 603 O4' DT B 20 -2.082 -8.331 10.597 1.00 0.16 O ATOM 604 C3' DT B 20 -3.261 -9.476 12.370 1.00 0.16 C ATOM 605 O3' DT B 20 -4.471 -10.168 12.035 1.00 0.16 O ATOM 606 C2' DT B 20 -1.993 -10.175 11.921 1.00 0.14 C ATOM 607 C1' DT B 20 -1.799 -9.725 10.474 1.00 0.11 C ATOM 608 N1 DT B 20 -0.433 -9.873 9.914 1.00 0.09 N ATOM 609 C2 DT B 20 -0.279 -10.430 8.658 1.00 0.08 C ATOM 610 O2 DT B 20 -1.208 -10.837 7.968 1.00 0.10 O ATOM 611 N3 DT B 20 1.011 -10.517 8.192 1.00 0.08 N ATOM 612 C4 DT B 20 2.150 -10.109 8.843 1.00 0.11 C ATOM 613 O4 DT B 20 3.232 -10.252 8.284 1.00 0.14 O ATOM 614 C5 DT B 20 1.894 -9.540 10.146 1.00 0.12 C ATOM 615 C7 DT B 20 3.000 -9.015 11.049 1.00 0.16 C ATOM 616 C6 DT B 20 0.653 -9.448 10.618 1.00 0.11 C ATOM 0 H5' DT B 20 -2.883 -6.061 11.810 1.00 0.20 H new ATOM 0 H5'' DT B 20 -3.811 -6.817 13.090 1.00 0.20 H new ATOM 0 H4' DT B 20 -4.075 -8.016 11.064 1.00 0.17 H new ATOM 0 H3' DT B 20 -3.343 -9.378 13.452 1.00 0.16 H new ATOM 0 H2' DT B 20 -1.143 -9.892 12.542 1.00 0.14 H new ATOM 0 H2'' DT B 20 -2.091 -11.258 11.990 1.00 0.14 H new ATOM 0 H1' DT B 20 -2.411 -10.324 9.800 1.00 0.11 H new ATOM 0 H3 DT B 20 1.136 -10.927 7.266 1.00 0.08 H new ATOM 0 H71 DT B 20 2.612 -8.205 11.667 1.00 0.16 H new ATOM 0 H72 DT B 20 3.359 -9.820 11.690 1.00 0.16 H new ATOM 0 H73 DT B 20 3.823 -8.643 10.438 1.00 0.16 H new ATOM 0 H6 DT B 20 0.501 -9.020 11.598 1.00 0.11 H new ATOM 629 P DG B 21 -4.909 -11.523 12.796 1.00 0.15 P ATOM 630 OP1 DG B 21 -6.372 -11.692 12.637 1.00 0.19 O ATOM 631 OP2 DG B 21 -4.315 -11.515 14.154 1.00 0.22 O ATOM 632 O5' DG B 21 -4.154 -12.646 11.920 1.00 0.16 O ATOM 633 C5' DG B 21 -4.711 -13.153 10.696 1.00 0.19 C ATOM 634 C4' DG B 21 -3.769 -14.101 9.962 1.00 0.18 C ATOM 635 O4' DG B 21 -2.594 -13.468 9.437 1.00 0.16 O ATOM 636 C3' DG B 21 -3.262 -15.241 10.863 1.00 0.15 C ATOM 637 O3' DG B 21 -3.932 -16.519 10.835 1.00 0.22 O ATOM 638 C2' DG B 21 -1.816 -15.344 10.445 1.00 0.15 C ATOM 639 C1' DG B 21 -1.691 -14.553 9.180 1.00 0.13 C ATOM 640 N9 DG B 21 -0.326 -14.049 9.042 1.00 0.09 N ATOM 641 C8 DG B 21 0.328 -13.271 9.922 1.00 0.10 C ATOM 642 N7 DG B 21 1.587 -12.961 9.543 1.00 0.10 N ATOM 643 C5 DG B 21 1.711 -13.596 8.345 1.00 0.08 C ATOM 644 C6 DG B 21 2.813 -13.647 7.446 1.00 0.10 C ATOM 645 O6 DG B 21 3.922 -13.129 7.526 1.00 0.14 O ATOM 646 N1 DG B 21 2.529 -14.404 6.332 1.00 0.10 N ATOM 647 C2 DG B 21 1.338 -15.040 6.093 1.00 0.10 C ATOM 648 N2 DG B 21 1.245 -15.740 4.977 1.00 0.14 N ATOM 649 N3 DG B 21 0.297 -15.003 6.917 1.00 0.10 N ATOM 650 C4 DG B 21 0.554 -14.265 8.020 1.00 0.08 C ATOM 0 H5' DG B 21 -4.959 -12.317 10.042 1.00 0.19 H new ATOM 0 H5'' DG B 21 -5.643 -13.673 10.915 1.00 0.19 H new ATOM 0 H4' DG B 21 -4.387 -14.476 9.146 1.00 0.18 H new ATOM 0 H3' DG B 21 -3.457 -14.989 11.905 1.00 0.15 H new ATOM 0 H2' DG B 21 -1.158 -14.948 11.218 1.00 0.15 H new ATOM 0 H2'' DG B 21 -1.530 -16.383 10.284 1.00 0.15 H new ATOM 0 H1' DG B 21 -1.907 -15.113 8.270 1.00 0.13 H new ATOM 0 H8 DG B 21 -0.112 -12.926 10.846 1.00 0.10 H new ATOM 0 H1 DG B 21 3.262 -14.499 5.629 1.00 0.10 H new ATOM 0 H21 DG B 21 0.380 -16.231 4.754 1.00 0.14 H new ATOM 0 H22 DG B 21 2.039 -15.789 4.338 1.00 0.14 H new ATOM 662 P DG B 22 -4.711 -17.217 9.596 1.00 0.29 P ATOM 663 OP1 DG B 22 -5.651 -16.222 9.030 1.00 0.35 O ATOM 664 OP2 DG B 22 -5.237 -18.515 10.078 1.00 0.37 O ATOM 665 O5' DG B 22 -3.582 -17.549 8.475 1.00 0.25 O ATOM 666 C5' DG B 22 -3.972 -17.707 7.096 1.00 0.23 C ATOM 667 C4' DG B 22 -3.110 -18.676 6.271 1.00 0.18 C ATOM 668 O4' DG B 22 -1.767 -18.231 6.027 1.00 0.17 O ATOM 669 C3' DG B 22 -3.049 -20.101 6.768 1.00 0.19 C ATOM 670 O3' DG B 22 -2.978 -20.987 5.655 1.00 0.21 O ATOM 671 C2' DG B 22 -1.736 -20.060 7.446 1.00 0.17 C ATOM 672 C1' DG B 22 -0.865 -19.214 6.547 1.00 0.13 C ATOM 673 N9 DG B 22 0.168 -18.472 7.277 1.00 0.12 N ATOM 674 C8 DG B 22 0.047 -17.866 8.479 1.00 0.15 C ATOM 675 N7 DG B 22 1.166 -17.229 8.884 1.00 0.15 N ATOM 676 C5 DG B 22 2.035 -17.456 7.863 1.00 0.12 C ATOM 677 C6 DG B 22 3.381 -17.033 7.704 1.00 0.13 C ATOM 678 O6 DG B 22 4.080 -16.347 8.445 1.00 0.16 O ATOM 679 N1 DG B 22 3.919 -17.473 6.519 1.00 0.11 N ATOM 680 C2 DG B 22 3.263 -18.229 5.581 1.00 0.10 C ATOM 681 N2 DG B 22 3.937 -18.562 4.495 1.00 0.12 N ATOM 682 N3 DG B 22 2.002 -18.634 5.708 1.00 0.09 N ATOM 683 C4 DG B 22 1.450 -18.212 6.872 1.00 0.10 C ATOM 0 H5' DG B 22 -3.949 -16.729 6.616 1.00 0.23 H new ATOM 0 H5'' DG B 22 -5.005 -18.052 7.066 1.00 0.23 H new ATOM 0 H4' DG B 22 -3.668 -18.672 5.335 1.00 0.18 H new ATOM 0 H3' DG B 22 -3.890 -20.428 7.379 1.00 0.19 H new ATOM 0 H2' DG B 22 -1.818 -19.624 8.442 1.00 0.17 H new ATOM 0 H2'' DG B 22 -1.323 -21.061 7.569 1.00 0.17 H new ATOM 0 HO3' DG B 22 -2.937 -21.912 5.975 1.00 0.21 H new ATOM 0 H1' DG B 22 -0.362 -19.847 5.816 1.00 0.13 H new ATOM 0 H8 DG B 22 -0.862 -17.889 9.062 1.00 0.15 H new ATOM 0 H1 DG B 22 4.886 -17.216 6.320 1.00 0.11 H new ATOM 0 H21 DG B 22 3.491 -19.124 3.770 1.00 0.12 H new ATOM 0 H22 DG B 22 4.904 -18.258 4.382 1.00 0.12 H new TER 696 DG B 22 HETATM 697 C1 BPJ A 25 1.588 -0.616 6.443 1.00 0.10 C HETATM 698 C2 BPJ A 25 1.407 -1.288 7.835 1.00 0.11 C HETATM 699 O2 BPJ A 25 0.307 -2.186 8.006 1.00 0.11 O HETATM 700 C3 BPJ A 25 1.311 -0.175 8.922 1.00 0.13 C HETATM 701 O3 BPJ A 25 0.332 0.845 8.643 1.00 0.15 O HETATM 702 C4 BPJ A 25 2.726 0.464 8.986 1.00 0.14 C HETATM 703 O4 BPJ A 25 3.578 -0.480 9.634 1.00 0.16 O HETATM 704 C5 BPJ A 25 4.482 1.525 7.678 1.00 0.14 C HETATM 705 C6 BPJ A 25 5.082 1.895 6.474 1.00 0.14 C HETATM 706 C7 BPJ A 25 5.097 1.989 4.129 1.00 0.13 C HETATM 707 C8 BPJ A 25 4.540 1.776 2.856 1.00 0.15 C HETATM 708 C9 BPJ A 25 2.570 1.376 1.491 1.00 0.15 C HETATM 709 C10 BPJ A 25 1.177 1.204 1.388 1.00 0.16 C HETATM 710 C11 BPJ A 25 0.408 1.084 2.559 1.00 0.15 C HETATM 711 C12 BPJ A 25 1.037 1.096 3.816 1.00 0.13 C HETATM 712 C13 BPJ A 25 2.607 0.437 6.445 1.00 0.11 C HETATM 713 C14 BPJ A 25 3.274 0.779 7.681 1.00 0.12 C HETATM 714 C15 BPJ A 25 4.402 1.647 5.282 1.00 0.13 C HETATM 715 C16 BPJ A 25 3.119 1.053 5.238 1.00 0.11 C HETATM 716 C17 BPJ A 25 2.448 1.181 3.971 1.00 0.12 C HETATM 717 C18 BPJ A 25 3.183 1.409 2.764 1.00 0.13 C HETATM 0 H11A BPJ A 25 0.636 -0.192 6.123 1.00 0.10 H new HETATM 0 HO4 BPJ A 25 4.287 -0.004 10.115 1.00 0.16 H new HETATM 0 HO3 BPJ A 25 0.330 1.504 9.368 1.00 0.15 H new HETATM 0 HO2 BPJ A 25 0.492 -2.791 8.754 1.00 0.11 H new HETATM 0 H9 BPJ A 25 3.175 1.484 0.591 1.00 0.15 H new HETATM 0 H8 BPJ A 25 5.146 1.893 1.958 1.00 0.15 H new HETATM 0 H7 BPJ A 25 6.090 2.430 4.213 1.00 0.13 H new HETATM 0 H6 BPJ A 25 6.064 2.369 6.465 1.00 0.14 H new HETATM 0 H5 BPJ A 25 4.944 1.811 8.623 1.00 0.14 H new HETATM 0 H4 BPJ A 25 2.655 1.409 9.524 1.00 0.14 H new HETATM 0 H3 BPJ A 25 0.987 -0.623 9.862 1.00 0.13 H new HETATM 0 H2 BPJ A 25 2.286 -1.925 7.930 1.00 0.11 H new HETATM 0 H12 BPJ A 25 0.417 1.038 4.710 1.00 0.13 H new HETATM 0 H11 BPJ A 25 -0.675 0.982 2.492 1.00 0.15 H new HETATM 0 H10 BPJ A 25 0.699 1.164 0.409 1.00 0.16 H new