USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=6 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=-0.00868 (180deg=-0.00486) USER MOD Set 1.2: A 5 DT C7 :methyl 150:sc=-0.00936 (180deg=-0.000686) USER MOD Single : A 1 DC O5' : rot 180:sc= -0.414 USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 180:sc= 0 USER MOD Single : B 15 DT C7 :methyl -30:sc= 0 (180deg=-0.0148) USER MOD Single : B 16 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 11.117 -3.103 8.313 1.00 0.00 O ATOM 2 C5' DC A 1 11.286 -3.815 9.543 1.00 0.00 C ATOM 3 C4' DC A 1 9.950 -4.178 10.150 1.00 0.00 C ATOM 4 O4' DC A 1 9.240 -2.958 10.474 1.00 0.00 O ATOM 5 C3' DC A 1 9.019 -4.973 9.234 1.00 0.00 C ATOM 6 O3' DC A 1 8.224 -5.889 9.996 1.00 0.00 O ATOM 7 C2' DC A 1 8.145 -3.899 8.613 1.00 0.00 C ATOM 8 C1' DC A 1 8.032 -2.878 9.732 1.00 0.00 C ATOM 9 N1 DC A 1 7.872 -1.487 9.275 1.00 0.00 N ATOM 10 C2 DC A 1 6.718 -0.787 9.637 1.00 0.00 C ATOM 11 O2 DC A 1 5.863 -1.358 10.330 1.00 0.00 O ATOM 12 N3 DC A 1 6.561 0.490 9.223 1.00 0.00 N ATOM 13 C4 DC A 1 7.505 1.070 8.478 1.00 0.00 C ATOM 14 N4 DC A 1 7.307 2.332 8.095 1.00 0.00 N ATOM 15 C5 DC A 1 8.692 0.381 8.094 1.00 0.00 C ATOM 16 C6 DC A 1 8.834 -0.885 8.511 1.00 0.00 C ATOM 0 H5' DC A 1 11.854 -3.205 10.245 1.00 0.00 H new ATOM 0 H5'' DC A 1 11.866 -4.720 9.366 1.00 0.00 H new ATOM 0 H4' DC A 1 10.189 -4.802 11.011 1.00 0.00 H new ATOM 0 H3' DC A 1 9.552 -5.574 8.497 1.00 0.00 H new ATOM 0 H2' DC A 1 8.600 -3.472 7.719 1.00 0.00 H new ATOM 0 H2'' DC A 1 7.170 -4.289 8.320 1.00 0.00 H new ATOM 0 HO5' DC A 1 11.996 -2.878 7.942 1.00 0.00 H new ATOM 0 H1' DC A 1 7.137 -3.115 10.307 1.00 0.00 H new ATOM 0 H41 DC A 1 8.006 2.808 7.525 1.00 0.00 H new ATOM 0 H42 DC A 1 6.456 2.821 8.372 1.00 0.00 H new ATOM 0 H5 DC A 1 9.448 0.861 7.490 1.00 0.00 H new ATOM 0 H6 DC A 1 9.721 -1.438 8.240 1.00 0.00 H new ATOM 29 P DA A 2 7.149 -6.828 9.250 1.00 0.00 P ATOM 30 OP1 DA A 2 6.837 -7.952 10.169 1.00 0.00 O ATOM 31 OP2 DA A 2 7.648 -7.117 7.881 1.00 0.00 O ATOM 32 O5' DA A 2 5.849 -5.911 9.126 1.00 0.00 O ATOM 33 C5' DA A 2 5.032 -5.637 10.266 1.00 0.00 C ATOM 34 C4' DA A 2 3.669 -5.144 9.835 1.00 0.00 C ATOM 35 O4' DA A 2 3.772 -3.743 9.488 1.00 0.00 O ATOM 36 C3' DA A 2 3.062 -5.851 8.615 1.00 0.00 C ATOM 37 O3' DA A 2 1.768 -6.369 8.976 1.00 0.00 O ATOM 38 C2' DA A 2 2.990 -4.765 7.551 1.00 0.00 C ATOM 39 C1' DA A 2 2.978 -3.485 8.351 1.00 0.00 C ATOM 40 N9 DA A 2 3.550 -2.337 7.655 1.00 0.00 N ATOM 41 C8 DA A 2 4.582 -2.353 6.756 1.00 0.00 C ATOM 42 N7 DA A 2 4.916 -1.165 6.311 1.00 0.00 N ATOM 43 C5 DA A 2 4.029 -0.310 6.951 1.00 0.00 C ATOM 44 C6 DA A 2 3.857 1.082 6.905 1.00 0.00 C ATOM 45 N6 DA A 2 4.613 1.899 6.169 1.00 0.00 N ATOM 46 N1 DA A 2 2.871 1.617 7.657 1.00 0.00 N ATOM 47 C2 DA A 2 2.119 0.800 8.405 1.00 0.00 C ATOM 48 N3 DA A 2 2.191 -0.520 8.539 1.00 0.00 N ATOM 49 C4 DA A 2 3.176 -1.020 7.776 1.00 0.00 C ATOM 0 H5' DA A 2 5.514 -4.888 10.895 1.00 0.00 H new ATOM 0 H5'' DA A 2 4.925 -6.539 10.869 1.00 0.00 H new ATOM 0 H4' DA A 2 3.016 -5.350 10.683 1.00 0.00 H new ATOM 0 H3' DA A 2 3.638 -6.703 8.253 1.00 0.00 H new ATOM 0 H2' DA A 2 3.845 -4.808 6.876 1.00 0.00 H new ATOM 0 H2'' DA A 2 2.094 -4.863 6.938 1.00 0.00 H new ATOM 0 H1' DA A 2 1.942 -3.222 8.567 1.00 0.00 H new ATOM 0 H8 DA A 2 5.076 -3.261 6.442 1.00 0.00 H new ATOM 0 H61 DA A 2 4.437 2.904 6.179 1.00 0.00 H new ATOM 0 H62 DA A 2 5.367 1.519 5.597 1.00 0.00 H new ATOM 0 H2 DA A 2 1.344 1.282 8.981 1.00 0.00 H new ATOM 61 P DG A 3 0.605 -6.516 7.870 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.349 -7.526 8.394 1.00 0.00 O ATOM 63 OP2 DG A 3 1.214 -6.713 6.529 1.00 0.00 O ATOM 64 O5' DG A 3 -0.128 -5.100 7.902 1.00 0.00 O ATOM 65 C5' DG A 3 -0.562 -4.529 9.141 1.00 0.00 C ATOM 66 C4' DG A 3 -1.692 -3.552 8.908 1.00 0.00 C ATOM 67 O4' DG A 3 -1.140 -2.294 8.445 1.00 0.00 O ATOM 68 C3' DG A 3 -2.716 -3.982 7.857 1.00 0.00 C ATOM 69 O3' DG A 3 -4.039 -3.610 8.262 1.00 0.00 O ATOM 70 C2' DG A 3 -2.297 -3.219 6.616 1.00 0.00 C ATOM 71 C1' DG A 3 -1.626 -1.971 7.151 1.00 0.00 C ATOM 72 N9 DG A 3 -0.494 -1.528 6.346 1.00 0.00 N ATOM 73 C8 DG A 3 0.497 -2.324 5.834 1.00 0.00 C ATOM 74 N7 DG A 3 1.406 -1.660 5.175 1.00 0.00 N ATOM 75 C5 DG A 3 0.977 -0.341 5.240 1.00 0.00 C ATOM 76 C6 DG A 3 1.551 0.837 4.701 1.00 0.00 C ATOM 77 O6 DG A 3 2.595 0.960 4.049 1.00 0.00 O ATOM 78 N1 DG A 3 0.782 1.958 4.990 1.00 0.00 N ATOM 79 C2 DG A 3 -0.386 1.949 5.708 1.00 0.00 C ATOM 80 N2 DG A 3 -0.988 3.134 5.865 1.00 0.00 N ATOM 81 N3 DG A 3 -0.928 0.860 6.227 1.00 0.00 N ATOM 82 C4 DG A 3 -0.200 -0.243 5.953 1.00 0.00 C ATOM 0 H5' DG A 3 0.272 -4.021 9.626 1.00 0.00 H new ATOM 0 H5'' DG A 3 -0.890 -5.319 9.817 1.00 0.00 H new ATOM 0 H4' DG A 3 -2.207 -3.485 9.866 1.00 0.00 H new ATOM 0 H3' DG A 3 -2.739 -5.060 7.701 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.614 -3.805 6.001 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.156 -2.972 5.992 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.357 -1.162 7.144 1.00 0.00 H new ATOM 0 H8 DG A 3 0.523 -3.396 5.963 1.00 0.00 H new ATOM 0 H1 DG A 3 1.112 2.858 4.641 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.861 3.197 6.389 1.00 0.00 H new ATOM 0 H22 DG A 3 -0.574 3.974 5.461 1.00 0.00 H new ATOM 94 P DT A 4 -5.313 -4.242 7.508 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.367 -4.469 8.531 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.855 -5.376 6.665 1.00 0.00 O ATOM 97 O5' DT A 4 -5.801 -3.075 6.542 1.00 0.00 O ATOM 98 C5' DT A 4 -6.340 -1.861 7.068 1.00 0.00 C ATOM 99 C4' DT A 4 -6.036 -0.708 6.142 1.00 0.00 C ATOM 100 O4' DT A 4 -4.664 -0.825 5.697 1.00 0.00 O ATOM 101 C3' DT A 4 -6.897 -0.637 4.875 1.00 0.00 C ATOM 102 O3' DT A 4 -7.608 0.605 4.835 1.00 0.00 O ATOM 103 C2' DT A 4 -5.902 -0.721 3.726 1.00 0.00 C ATOM 104 C1' DT A 4 -4.577 -0.371 4.366 1.00 0.00 C ATOM 105 N1 DT A 4 -3.409 -1.013 3.736 1.00 0.00 N ATOM 106 C2 DT A 4 -2.367 -0.208 3.343 1.00 0.00 C ATOM 107 O2 DT A 4 -2.372 1.002 3.517 1.00 0.00 O ATOM 108 N3 DT A 4 -1.317 -0.859 2.736 1.00 0.00 N ATOM 109 C4 DT A 4 -1.238 -2.224 2.502 1.00 0.00 C ATOM 110 O4 DT A 4 -0.246 -2.691 1.947 1.00 0.00 O ATOM 111 C5 DT A 4 -2.368 -3.008 2.946 1.00 0.00 C ATOM 112 C7 DT A 4 -2.393 -4.474 2.641 1.00 0.00 C ATOM 113 C6 DT A 4 -3.381 -2.376 3.544 1.00 0.00 C ATOM 0 H5' DT A 4 -5.919 -1.665 8.054 1.00 0.00 H new ATOM 0 H5'' DT A 4 -7.418 -1.959 7.196 1.00 0.00 H new ATOM 0 H4' DT A 4 -6.244 0.188 6.726 1.00 0.00 H new ATOM 0 H3' DT A 4 -7.642 -1.431 4.830 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.882 -1.718 3.287 1.00 0.00 H new ATOM 0 H2'' DT A 4 -6.156 -0.025 2.926 1.00 0.00 H new ATOM 0 H1' DT A 4 -4.419 0.703 4.264 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.854 -4.662 1.712 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.917 -5.023 3.454 1.00 0.00 H new ATOM 0 H73 DT A 4 -3.426 -4.806 2.535 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.218 -2.962 3.894 1.00 0.00 H new ATOM 125 P DT A 5 -8.838 0.790 3.816 1.00 0.00 P ATOM 126 OP1 DT A 5 -9.749 1.809 4.398 1.00 0.00 O ATOM 127 OP2 DT A 5 -9.371 -0.552 3.466 1.00 0.00 O ATOM 128 O5' DT A 5 -8.166 1.413 2.514 1.00 0.00 O ATOM 129 C5' DT A 5 -7.450 2.646 2.577 1.00 0.00 C ATOM 130 C4' DT A 5 -6.862 2.977 1.226 1.00 0.00 C ATOM 131 O4' DT A 5 -5.674 2.175 1.032 1.00 0.00 O ATOM 132 C3' DT A 5 -7.779 2.685 0.032 1.00 0.00 C ATOM 133 O3' DT A 5 -8.001 3.878 -0.725 1.00 0.00 O ATOM 134 C2' DT A 5 -7.014 1.672 -0.804 1.00 0.00 C ATOM 135 C1' DT A 5 -5.588 1.800 -0.324 1.00 0.00 C ATOM 136 N1 DT A 5 -4.794 0.560 -0.407 1.00 0.00 N ATOM 137 C2 DT A 5 -3.544 0.635 -0.977 1.00 0.00 C ATOM 138 O2 DT A 5 -3.075 1.671 -1.417 1.00 0.00 O ATOM 139 N3 DT A 5 -2.863 -0.549 -1.020 1.00 0.00 N ATOM 140 C4 DT A 5 -3.296 -1.777 -0.566 1.00 0.00 C ATOM 141 O4 DT A 5 -2.553 -2.750 -0.642 1.00 0.00 O ATOM 142 C5 DT A 5 -4.623 -1.789 0.010 1.00 0.00 C ATOM 143 C7 DT A 5 -5.220 -3.098 0.423 1.00 0.00 C ATOM 144 C6 DT A 5 -5.297 -0.632 0.074 1.00 0.00 C ATOM 0 H5' DT A 5 -6.656 2.576 3.320 1.00 0.00 H new ATOM 0 H5'' DT A 5 -8.117 3.446 2.897 1.00 0.00 H new ATOM 0 H4' DT A 5 -6.677 4.051 1.246 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.756 2.315 0.343 1.00 0.00 H new ATOM 0 H2' DT A 5 -7.396 0.662 -0.654 1.00 0.00 H new ATOM 0 H2'' DT A 5 -7.097 1.890 -1.869 1.00 0.00 H new ATOM 0 H1' DT A 5 -5.079 2.519 -0.965 1.00 0.00 H new ATOM 0 H3 DT A 5 -1.931 -0.521 -1.434 1.00 0.00 H new ATOM 0 H71 DT A 5 -5.899 -2.940 1.261 1.00 0.00 H new ATOM 0 H72 DT A 5 -5.771 -3.527 -0.414 1.00 0.00 H new ATOM 0 H73 DT A 5 -4.426 -3.782 0.723 1.00 0.00 H new ATOM 0 H6 DT A 5 -6.279 -0.633 0.523 1.00 0.00 H new ATOM 157 P DC A 6 -9.090 3.882 -1.908 1.00 0.00 P ATOM 158 OP1 DC A 6 -10.079 4.944 -1.596 1.00 0.00 O ATOM 159 OP2 DC A 6 -9.556 2.490 -2.135 1.00 0.00 O ATOM 160 O5' DC A 6 -8.267 4.339 -3.193 1.00 0.00 O ATOM 161 C5' DC A 6 -7.130 5.196 -3.074 1.00 0.00 C ATOM 162 C4' DC A 6 -6.038 4.749 -4.017 1.00 0.00 C ATOM 163 O4' DC A 6 -5.565 3.453 -3.584 1.00 0.00 O ATOM 164 C3' DC A 6 -6.473 4.585 -5.478 1.00 0.00 C ATOM 165 O3' DC A 6 -5.689 5.437 -6.323 1.00 0.00 O ATOM 166 C2' DC A 6 -6.203 3.122 -5.801 1.00 0.00 C ATOM 167 C1' DC A 6 -5.247 2.676 -4.716 1.00 0.00 C ATOM 168 N1 DC A 6 -5.360 1.258 -4.341 1.00 0.00 N ATOM 169 C2 DC A 6 -4.199 0.486 -4.279 1.00 0.00 C ATOM 170 O2 DC A 6 -3.112 1.012 -4.556 1.00 0.00 O ATOM 171 N3 DC A 6 -4.287 -0.815 -3.920 1.00 0.00 N ATOM 172 C4 DC A 6 -5.476 -1.348 -3.633 1.00 0.00 C ATOM 173 N4 DC A 6 -5.511 -2.632 -3.275 1.00 0.00 N ATOM 174 C5 DC A 6 -6.679 -0.585 -3.695 1.00 0.00 C ATOM 175 C6 DC A 6 -6.574 0.701 -4.052 1.00 0.00 C ATOM 0 H5' DC A 6 -6.762 5.183 -2.048 1.00 0.00 H new ATOM 0 H5'' DC A 6 -7.415 6.224 -3.298 1.00 0.00 H new ATOM 0 H4' DC A 6 -5.283 5.535 -3.985 1.00 0.00 H new ATOM 0 H3' DC A 6 -7.518 4.854 -5.635 1.00 0.00 H new ATOM 0 H2' DC A 6 -7.121 2.535 -5.789 1.00 0.00 H new ATOM 0 H2'' DC A 6 -5.764 3.007 -6.792 1.00 0.00 H new ATOM 0 H1' DC A 6 -4.230 2.804 -5.087 1.00 0.00 H new ATOM 0 H41 DC A 6 -6.402 -3.074 -3.048 1.00 0.00 H new ATOM 0 H42 DC A 6 -4.647 -3.172 -3.228 1.00 0.00 H new ATOM 0 H5 DC A 6 -7.637 -1.027 -3.463 1.00 0.00 H new ATOM 0 H6 DC A 6 -7.465 1.309 -4.113 1.00 0.00 H new ATOM 187 P DC A 7 -5.813 5.313 -7.923 1.00 0.00 P ATOM 188 OP1 DC A 7 -5.300 6.578 -8.507 1.00 0.00 O ATOM 189 OP2 DC A 7 -7.186 4.855 -8.257 1.00 0.00 O ATOM 190 O5' DC A 7 -4.794 4.147 -8.298 1.00 0.00 O ATOM 191 C5' DC A 7 -3.391 4.299 -8.075 1.00 0.00 C ATOM 192 C4' DC A 7 -2.617 3.322 -8.928 1.00 0.00 C ATOM 193 O4' DC A 7 -2.828 1.990 -8.408 1.00 0.00 O ATOM 194 C3' DC A 7 -3.027 3.281 -10.405 1.00 0.00 C ATOM 195 O3' DC A 7 -1.873 3.452 -11.232 1.00 0.00 O ATOM 196 C2' DC A 7 -3.624 1.896 -10.601 1.00 0.00 C ATOM 197 C1' DC A 7 -3.017 1.087 -9.474 1.00 0.00 C ATOM 198 N1 DC A 7 -3.850 -0.019 -8.979 1.00 0.00 N ATOM 199 C2 DC A 7 -3.256 -1.261 -8.769 1.00 0.00 C ATOM 200 O2 DC A 7 -2.054 -1.402 -9.030 1.00 0.00 O ATOM 201 N3 DC A 7 -4.000 -2.280 -8.287 1.00 0.00 N ATOM 202 C4 DC A 7 -5.294 -2.091 -8.023 1.00 0.00 C ATOM 203 N4 DC A 7 -5.984 -3.124 -7.536 1.00 0.00 N ATOM 204 C5 DC A 7 -5.933 -0.837 -8.241 1.00 0.00 C ATOM 205 C6 DC A 7 -5.180 0.163 -8.719 1.00 0.00 C ATOM 0 H5' DC A 7 -3.163 4.133 -7.022 1.00 0.00 H new ATOM 0 H5'' DC A 7 -3.087 5.319 -8.310 1.00 0.00 H new ATOM 0 H4' DC A 7 -1.581 3.659 -8.885 1.00 0.00 H new ATOM 0 H3' DC A 7 -3.731 4.070 -10.669 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.712 1.916 -10.540 1.00 0.00 H new ATOM 0 H2'' DC A 7 -3.367 1.482 -11.576 1.00 0.00 H new ATOM 0 H1' DC A 7 -2.106 0.625 -9.855 1.00 0.00 H new ATOM 0 H41 DC A 7 -6.976 -3.019 -7.321 1.00 0.00 H new ATOM 0 H42 DC A 7 -5.520 -4.018 -7.378 1.00 0.00 H new ATOM 0 H5 DC A 7 -6.983 -0.698 -8.029 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.630 1.127 -8.902 1.00 0.00 H new ATOM 217 P DA A 8 -2.036 4.017 -12.728 1.00 0.00 P ATOM 218 OP1 DA A 8 -1.719 5.467 -12.689 1.00 0.00 O ATOM 219 OP2 DA A 8 -3.346 3.567 -13.265 1.00 0.00 O ATOM 220 O5' DA A 8 -0.882 3.275 -13.541 1.00 0.00 O ATOM 221 C5' DA A 8 0.484 3.670 -13.407 1.00 0.00 C ATOM 222 C4' DA A 8 1.396 2.480 -13.602 1.00 0.00 C ATOM 223 O4' DA A 8 0.815 1.340 -12.927 1.00 0.00 O ATOM 224 C3' DA A 8 1.612 2.047 -15.051 1.00 0.00 C ATOM 225 O3' DA A 8 2.942 1.559 -15.243 1.00 0.00 O ATOM 226 C2' DA A 8 0.600 0.936 -15.252 1.00 0.00 C ATOM 227 C1' DA A 8 0.398 0.354 -13.860 1.00 0.00 C ATOM 228 N9 DA A 8 -0.995 0.027 -13.559 1.00 0.00 N ATOM 229 C8 DA A 8 -2.102 0.786 -13.849 1.00 0.00 C ATOM 230 N7 DA A 8 -3.230 0.244 -13.462 1.00 0.00 N ATOM 231 C5 DA A 8 -2.840 -0.952 -12.876 1.00 0.00 C ATOM 232 C6 DA A 8 -3.569 -1.989 -12.269 1.00 0.00 C ATOM 233 N6 DA A 8 -4.898 -1.988 -12.149 1.00 0.00 N ATOM 234 N1 DA A 8 -2.878 -3.043 -11.784 1.00 0.00 N ATOM 235 C2 DA A 8 -1.544 -3.045 -11.907 1.00 0.00 C ATOM 236 N3 DA A 8 -0.747 -2.132 -12.457 1.00 0.00 N ATOM 237 C4 DA A 8 -1.466 -1.098 -12.928 1.00 0.00 C ATOM 0 H5' DA A 8 0.649 4.105 -12.421 1.00 0.00 H new ATOM 0 H5'' DA A 8 0.720 4.442 -14.140 1.00 0.00 H new ATOM 0 H4' DA A 8 2.361 2.798 -13.208 1.00 0.00 H new ATOM 0 H3' DA A 8 1.486 2.867 -15.758 1.00 0.00 H new ATOM 0 H2' DA A 8 -0.334 1.319 -15.662 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.969 0.183 -15.948 1.00 0.00 H new ATOM 0 HO3' DA A 8 3.058 1.286 -16.177 1.00 0.00 H new ATOM 0 H1' DA A 8 0.970 -0.572 -13.804 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.048 1.741 -14.350 1.00 0.00 H new ATOM 0 H61 DA A 8 -5.370 -2.772 -11.698 1.00 0.00 H new ATOM 0 H62 DA A 8 -5.442 -1.204 -12.509 1.00 0.00 H new ATOM 0 H2 DA A 8 -1.043 -3.912 -11.502 1.00 0.00 H new TER 250 DA A 8 ATOM 251 O5' DT B 9 -5.468 -10.894 -10.149 1.00 0.00 O ATOM 252 C5' DT B 9 -4.268 -11.671 -10.184 1.00 0.00 C ATOM 253 C4' DT B 9 -3.052 -10.802 -9.964 1.00 0.00 C ATOM 254 O4' DT B 9 -3.248 -9.539 -10.650 1.00 0.00 O ATOM 255 C3' DT B 9 -2.768 -10.445 -8.502 1.00 0.00 C ATOM 256 O3' DT B 9 -1.357 -10.455 -8.251 1.00 0.00 O ATOM 257 C2' DT B 9 -3.323 -9.039 -8.370 1.00 0.00 C ATOM 258 C1' DT B 9 -3.036 -8.471 -9.744 1.00 0.00 C ATOM 259 N1 DT B 9 -3.905 -7.346 -10.147 1.00 0.00 N ATOM 260 C2 DT B 9 -3.299 -6.156 -10.489 1.00 0.00 C ATOM 261 O2 DT B 9 -2.092 -5.996 -10.477 1.00 0.00 O ATOM 262 N3 DT B 9 -4.163 -5.157 -10.846 1.00 0.00 N ATOM 263 C4 DT B 9 -5.538 -5.223 -10.897 1.00 0.00 C ATOM 264 O4 DT B 9 -6.182 -4.231 -11.228 1.00 0.00 O ATOM 265 C5 DT B 9 -6.109 -6.500 -10.530 1.00 0.00 C ATOM 266 C7 DT B 9 -7.598 -6.662 -10.555 1.00 0.00 C ATOM 267 C6 DT B 9 -5.277 -7.490 -10.178 1.00 0.00 C ATOM 0 H5' DT B 9 -4.187 -12.178 -11.145 1.00 0.00 H new ATOM 0 H5'' DT B 9 -4.309 -12.445 -9.418 1.00 0.00 H new ATOM 0 H4' DT B 9 -2.213 -11.389 -10.338 1.00 0.00 H new ATOM 0 H3' DT B 9 -3.211 -11.146 -7.795 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.389 -9.038 -8.140 1.00 0.00 H new ATOM 0 H2'' DT B 9 -2.827 -8.474 -7.581 1.00 0.00 H new ATOM 0 HO5' DT B 9 -6.241 -11.479 -10.295 1.00 0.00 H new ATOM 0 H1' DT B 9 -2.023 -8.069 -9.739 1.00 0.00 H new ATOM 0 H3 DT B 9 -3.742 -4.264 -11.103 1.00 0.00 H new ATOM 0 H71 DT B 9 -7.847 -7.698 -10.785 1.00 0.00 H new ATOM 0 H72 DT B 9 -8.009 -6.397 -9.581 1.00 0.00 H new ATOM 0 H73 DT B 9 -8.022 -6.009 -11.317 1.00 0.00 H new ATOM 0 H6 DT B 9 -5.700 -8.446 -9.906 1.00 0.00 H new ATOM 281 P DG B 10 -0.794 -11.062 -6.872 1.00 0.00 P ATOM 282 OP1 DG B 10 -0.531 -12.506 -7.101 1.00 0.00 O ATOM 283 OP2 DG B 10 -1.704 -10.649 -5.774 1.00 0.00 O ATOM 284 O5' DG B 10 0.604 -10.325 -6.663 1.00 0.00 O ATOM 285 C5' DG B 10 1.770 -10.733 -7.382 1.00 0.00 C ATOM 286 C4' DG B 10 2.695 -9.556 -7.596 1.00 0.00 C ATOM 287 O4' DG B 10 1.912 -8.405 -7.994 1.00 0.00 O ATOM 288 C3' DG B 10 3.481 -9.109 -6.365 1.00 0.00 C ATOM 289 O3' DG B 10 4.755 -8.575 -6.756 1.00 0.00 O ATOM 290 C2' DG B 10 2.601 -8.033 -5.762 1.00 0.00 C ATOM 291 C1' DG B 10 1.917 -7.418 -6.971 1.00 0.00 C ATOM 292 N9 DG B 10 0.536 -7.020 -6.730 1.00 0.00 N ATOM 293 C8 DG B 10 -0.425 -7.736 -6.063 1.00 0.00 C ATOM 294 N7 DG B 10 -1.581 -7.133 -6.021 1.00 0.00 N ATOM 295 C5 DG B 10 -1.366 -5.938 -6.695 1.00 0.00 C ATOM 296 C6 DG B 10 -2.251 -4.862 -6.973 1.00 0.00 C ATOM 297 O6 DG B 10 -3.447 -4.747 -6.674 1.00 0.00 O ATOM 298 N1 DG B 10 -1.613 -3.846 -7.678 1.00 0.00 N ATOM 299 C2 DG B 10 -0.297 -3.860 -8.065 1.00 0.00 C ATOM 300 N2 DG B 10 0.138 -2.784 -8.730 1.00 0.00 N ATOM 301 N3 DG B 10 0.535 -4.854 -7.818 1.00 0.00 N ATOM 302 C4 DG B 10 -0.061 -5.852 -7.134 1.00 0.00 C ATOM 0 H5' DG B 10 1.482 -11.157 -8.344 1.00 0.00 H new ATOM 0 H5'' DG B 10 2.290 -11.517 -6.831 1.00 0.00 H new ATOM 0 H4' DG B 10 3.407 -9.901 -8.346 1.00 0.00 H new ATOM 0 H3' DG B 10 3.694 -9.919 -5.667 1.00 0.00 H new ATOM 0 H2' DG B 10 1.878 -8.451 -5.061 1.00 0.00 H new ATOM 0 H2'' DG B 10 3.187 -7.295 -5.214 1.00 0.00 H new ATOM 0 H1' DG B 10 2.465 -6.514 -7.235 1.00 0.00 H new ATOM 0 H8 DG B 10 -0.243 -8.703 -5.617 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.167 -3.027 -7.927 1.00 0.00 H new ATOM 0 H21 DG B 10 1.107 -2.736 -9.044 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.500 -2.012 -8.923 1.00 0.00 H new ATOM 314 P DG B 11 5.617 -7.704 -5.711 1.00 0.00 P ATOM 315 OP1 DG B 11 6.955 -7.487 -6.317 1.00 0.00 O ATOM 316 OP2 DG B 11 5.514 -8.340 -4.373 1.00 0.00 O ATOM 317 O5' DG B 11 4.865 -6.298 -5.656 1.00 0.00 O ATOM 318 C5' DG B 11 5.018 -5.336 -6.705 1.00 0.00 C ATOM 319 C4' DG B 11 4.835 -3.935 -6.167 1.00 0.00 C ATOM 320 O4' DG B 11 3.418 -3.659 -6.036 1.00 0.00 O ATOM 321 C3' DG B 11 5.450 -3.676 -4.788 1.00 0.00 C ATOM 322 O3' DG B 11 6.168 -2.435 -4.803 1.00 0.00 O ATOM 323 C2' DG B 11 4.250 -3.600 -3.863 1.00 0.00 C ATOM 324 C1' DG B 11 3.171 -3.066 -4.775 1.00 0.00 C ATOM 325 N9 DG B 11 1.814 -3.412 -4.369 1.00 0.00 N ATOM 326 C8 DG B 11 1.421 -4.554 -3.721 1.00 0.00 C ATOM 327 N7 DG B 11 0.138 -4.599 -3.488 1.00 0.00 N ATOM 328 C5 DG B 11 -0.345 -3.406 -4.008 1.00 0.00 C ATOM 329 C6 DG B 11 -1.665 -2.887 -4.047 1.00 0.00 C ATOM 330 O6 DG B 11 -2.708 -3.394 -3.619 1.00 0.00 O ATOM 331 N1 DG B 11 -1.705 -1.641 -4.663 1.00 0.00 N ATOM 332 C2 DG B 11 -0.619 -0.978 -5.175 1.00 0.00 C ATOM 333 N2 DG B 11 -0.860 0.219 -5.720 1.00 0.00 N ATOM 334 N3 DG B 11 0.614 -1.453 -5.153 1.00 0.00 N ATOM 335 C4 DG B 11 0.678 -2.661 -4.557 1.00 0.00 C ATOM 0 H5' DG B 11 4.289 -5.528 -7.492 1.00 0.00 H new ATOM 0 H5'' DG B 11 6.006 -5.433 -7.155 1.00 0.00 H new ATOM 0 H4' DG B 11 5.349 -3.294 -6.884 1.00 0.00 H new ATOM 0 H3' DG B 11 6.160 -4.443 -4.479 1.00 0.00 H new ATOM 0 H2' DG B 11 3.990 -4.576 -3.454 1.00 0.00 H new ATOM 0 H2'' DG B 11 4.431 -2.938 -3.016 1.00 0.00 H new ATOM 0 H1' DG B 11 3.216 -1.977 -4.766 1.00 0.00 H new ATOM 0 H8 DG B 11 2.105 -5.338 -3.432 1.00 0.00 H new ATOM 0 H1 DG B 11 -2.614 -1.184 -4.740 1.00 0.00 H new ATOM 0 H21 DG B 11 -0.094 0.762 -6.118 1.00 0.00 H new ATOM 0 H22 DG B 11 -1.810 0.589 -5.738 1.00 0.00 H new ATOM 347 P DA B 12 7.114 -2.035 -3.565 1.00 0.00 P ATOM 348 OP1 DA B 12 8.512 -2.341 -3.964 1.00 0.00 O ATOM 349 OP2 DA B 12 6.562 -2.630 -2.321 1.00 0.00 O ATOM 350 O5' DA B 12 6.967 -0.451 -3.467 1.00 0.00 O ATOM 351 C5' DA B 12 6.886 0.356 -4.644 1.00 0.00 C ATOM 352 C4' DA B 12 6.135 1.637 -4.355 1.00 0.00 C ATOM 353 O4' DA B 12 4.744 1.318 -4.108 1.00 0.00 O ATOM 354 C3' DA B 12 6.615 2.410 -3.126 1.00 0.00 C ATOM 355 O3' DA B 12 6.516 3.820 -3.358 1.00 0.00 O ATOM 356 C2' DA B 12 5.656 1.973 -2.038 1.00 0.00 C ATOM 357 C1' DA B 12 4.368 1.718 -2.799 1.00 0.00 C ATOM 358 N9 DA B 12 3.543 0.659 -2.225 1.00 0.00 N ATOM 359 C8 DA B 12 3.995 -0.460 -1.581 1.00 0.00 C ATOM 360 N7 DA B 12 3.042 -1.257 -1.167 1.00 0.00 N ATOM 361 C5 DA B 12 1.877 -0.613 -1.563 1.00 0.00 C ATOM 362 C6 DA B 12 0.518 -0.942 -1.418 1.00 0.00 C ATOM 363 N6 DA B 12 0.085 -2.047 -0.811 1.00 0.00 N ATOM 364 N1 DA B 12 -0.395 -0.084 -1.925 1.00 0.00 N ATOM 365 C2 DA B 12 0.042 1.029 -2.533 1.00 0.00 C ATOM 366 N3 DA B 12 1.291 1.446 -2.730 1.00 0.00 N ATOM 367 C4 DA B 12 2.171 0.571 -2.215 1.00 0.00 C ATOM 0 H5' DA B 12 6.383 -0.197 -5.438 1.00 0.00 H new ATOM 0 H5'' DA B 12 7.889 0.588 -5.003 1.00 0.00 H new ATOM 0 H4' DA B 12 6.303 2.265 -5.230 1.00 0.00 H new ATOM 0 H3' DA B 12 7.657 2.215 -2.872 1.00 0.00 H new ATOM 0 H2' DA B 12 6.007 1.076 -1.527 1.00 0.00 H new ATOM 0 H2'' DA B 12 5.530 2.744 -1.278 1.00 0.00 H new ATOM 0 H1' DA B 12 3.772 2.630 -2.769 1.00 0.00 H new ATOM 0 H8 DA B 12 5.044 -0.668 -1.428 1.00 0.00 H new ATOM 0 H61 DA B 12 -0.916 -2.230 -0.738 1.00 0.00 H new ATOM 0 H62 DA B 12 0.755 -2.710 -0.420 1.00 0.00 H new ATOM 0 H2 DA B 12 -0.729 1.680 -2.918 1.00 0.00 H new HETATM 379 P EDI B 13 7.130 4.854 -2.289 1.00 0.00 P HETATM 380 OP1 EDI B 13 8.087 5.721 -3.022 1.00 0.00 O HETATM 381 OP2 EDI B 13 7.594 4.099 -1.095 1.00 0.00 O HETATM 382 O5' EDI B 13 5.885 5.750 -1.858 1.00 0.00 O HETATM 383 C5' EDI B 13 5.322 6.708 -2.757 1.00 0.00 C HETATM 384 C4' EDI B 13 4.181 7.445 -2.094 1.00 0.00 C HETATM 385 O4' EDI B 13 3.165 6.491 -1.702 1.00 0.00 O HETATM 386 C3' EDI B 13 4.545 8.205 -0.820 1.00 0.00 C HETATM 387 O3' EDI B 13 3.738 9.383 -0.697 1.00 0.00 O HETATM 388 C2' EDI B 13 4.237 7.213 0.281 1.00 0.00 C HETATM 389 C1' EDI B 13 3.105 6.378 -0.286 1.00 0.00 C HETATM 390 N9 EDI B 13 3.211 4.965 0.053 1.00 0.00 N HETATM 391 C8 EDI B 13 4.366 4.234 0.146 1.00 0.00 C HETATM 392 N7 EDI B 13 4.162 2.987 0.470 1.00 0.00 N HETATM 393 C5 EDI B 13 2.783 2.891 0.599 1.00 0.00 C HETATM 394 C6 EDI B 13 1.969 1.783 0.936 1.00 0.00 C HETATM 395 O6 EDI B 13 2.319 0.625 1.194 1.00 0.00 O HETATM 396 N1 EDI B 13 0.617 2.126 0.955 1.00 0.00 N HETATM 397 C2 EDI B 13 0.122 3.379 0.685 1.00 0.00 C HETATM 398 N3 EDI B 13 0.872 4.420 0.369 1.00 0.00 N HETATM 399 C4 EDI B 13 2.183 4.105 0.345 1.00 0.00 C HETATM 400 C11 EDI B 13 -0.187 -0.042 2.301 1.00 0.00 C HETATM 401 C12 EDI B 13 -0.346 1.078 1.284 1.00 0.00 C ATOM 415 P DC B 14 3.821 10.277 0.638 1.00 0.00 P ATOM 416 OP1 DC B 14 3.436 11.660 0.255 1.00 0.00 O ATOM 417 OP2 DC B 14 5.132 10.039 1.295 1.00 0.00 O ATOM 418 O5' DC B 14 2.677 9.683 1.576 1.00 0.00 O ATOM 419 C5' DC B 14 1.464 10.405 1.811 1.00 0.00 C ATOM 420 C4' DC B 14 0.458 9.530 2.524 1.00 0.00 C ATOM 421 O4' DC B 14 0.835 8.146 2.343 1.00 0.00 O ATOM 422 C3' DC B 14 0.357 9.761 4.036 1.00 0.00 C ATOM 423 O3' DC B 14 -0.991 10.085 4.396 1.00 0.00 O ATOM 424 C2' DC B 14 0.767 8.436 4.662 1.00 0.00 C ATOM 425 C1' DC B 14 0.634 7.429 3.543 1.00 0.00 C ATOM 426 N1 DC B 14 1.628 6.347 3.590 1.00 0.00 N ATOM 427 C2 DC B 14 1.192 5.032 3.757 1.00 0.00 C ATOM 428 O2 DC B 14 -0.021 4.811 3.884 1.00 0.00 O ATOM 429 N3 DC B 14 2.102 4.033 3.780 1.00 0.00 N ATOM 430 C4 DC B 14 3.401 4.312 3.649 1.00 0.00 C ATOM 431 N4 DC B 14 4.261 3.292 3.663 1.00 0.00 N ATOM 432 C5 DC B 14 3.874 5.646 3.492 1.00 0.00 C ATOM 433 C6 DC B 14 2.959 6.624 3.468 1.00 0.00 C ATOM 0 H5' DC B 14 1.049 10.749 0.864 1.00 0.00 H new ATOM 0 H5'' DC B 14 1.672 11.292 2.409 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.507 9.786 2.087 1.00 0.00 H new ATOM 0 H3' DC B 14 0.985 10.586 4.372 1.00 0.00 H new ATOM 0 H2' DC B 14 1.788 8.476 5.041 1.00 0.00 H new ATOM 0 H2'' DC B 14 0.125 8.180 5.504 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.345 6.956 3.626 1.00 0.00 H new ATOM 0 H41 DC B 14 5.261 3.467 3.565 1.00 0.00 H new ATOM 0 H42 DC B 14 3.918 2.337 3.771 1.00 0.00 H new ATOM 0 H5 DC B 14 4.928 5.861 3.396 1.00 0.00 H new ATOM 0 H6 DC B 14 3.280 7.649 3.350 1.00 0.00 H new ATOM 445 P DT B 15 -1.343 10.460 5.920 1.00 0.00 P ATOM 446 OP1 DT B 15 -2.695 11.075 5.921 1.00 0.00 O ATOM 447 OP2 DT B 15 -0.197 11.209 6.496 1.00 0.00 O ATOM 448 O5' DT B 15 -1.433 9.050 6.657 1.00 0.00 O ATOM 449 C5' DT B 15 -2.569 8.201 6.488 1.00 0.00 C ATOM 450 C4' DT B 15 -2.521 7.055 7.473 1.00 0.00 C ATOM 451 O4' DT B 15 -1.381 6.222 7.156 1.00 0.00 O ATOM 452 C3' DT B 15 -2.363 7.467 8.941 1.00 0.00 C ATOM 453 O3' DT B 15 -3.364 6.818 9.736 1.00 0.00 O ATOM 454 C2' DT B 15 -0.970 6.992 9.319 1.00 0.00 C ATOM 455 C1' DT B 15 -0.711 5.862 8.347 1.00 0.00 C ATOM 456 N1 DT B 15 0.706 5.633 8.017 1.00 0.00 N ATOM 457 C2 DT B 15 1.157 4.335 7.965 1.00 0.00 C ATOM 458 O2 DT B 15 0.449 3.372 8.203 1.00 0.00 O ATOM 459 N3 DT B 15 2.475 4.202 7.625 1.00 0.00 N ATOM 460 C4 DT B 15 3.371 5.212 7.350 1.00 0.00 C ATOM 461 O4 DT B 15 4.515 4.931 7.002 1.00 0.00 O ATOM 462 C5 DT B 15 2.840 6.552 7.446 1.00 0.00 C ATOM 463 C7 DT B 15 3.769 7.713 7.261 1.00 0.00 C ATOM 464 C6 DT B 15 1.544 6.699 7.765 1.00 0.00 C ATOM 0 H5' DT B 15 -2.593 7.813 5.470 1.00 0.00 H new ATOM 0 H5'' DT B 15 -3.485 8.775 6.632 1.00 0.00 H new ATOM 0 H4' DT B 15 -3.482 6.550 7.376 1.00 0.00 H new ATOM 0 H3' DT B 15 -2.483 8.539 9.101 1.00 0.00 H new ATOM 0 H2' DT B 15 -0.232 7.788 9.216 1.00 0.00 H new ATOM 0 H2'' DT B 15 -0.929 6.650 10.353 1.00 0.00 H new ATOM 0 H1' DT B 15 -1.057 4.938 8.810 1.00 0.00 H new ATOM 0 H3 DT B 15 2.835 3.249 7.569 1.00 0.00 H new ATOM 0 H71 DT B 15 4.769 7.435 7.592 1.00 0.00 H new ATOM 0 H72 DT B 15 3.800 7.990 6.207 1.00 0.00 H new ATOM 0 H73 DT B 15 3.415 8.560 7.849 1.00 0.00 H new ATOM 0 H6 DT B 15 1.139 7.698 7.827 1.00 0.00 H new ATOM 477 P DG B 16 -3.285 6.892 11.341 1.00 0.00 P ATOM 478 OP1 DG B 16 -4.651 6.636 11.864 1.00 0.00 O ATOM 479 OP2 DG B 16 -2.579 8.143 11.722 1.00 0.00 O ATOM 480 O5' DG B 16 -2.357 5.658 11.735 1.00 0.00 O ATOM 481 C5' DG B 16 -2.889 4.334 11.821 1.00 0.00 C ATOM 482 C4' DG B 16 -2.081 3.508 12.796 1.00 0.00 C ATOM 483 O4' DG B 16 -0.869 3.065 12.140 1.00 0.00 O ATOM 484 C3' DG B 16 -1.641 4.255 14.059 1.00 0.00 C ATOM 485 O3' DG B 16 -1.813 3.438 15.218 1.00 0.00 O ATOM 486 C2' DG B 16 -0.169 4.538 13.821 1.00 0.00 C ATOM 487 C1' DG B 16 0.259 3.391 12.930 1.00 0.00 C ATOM 488 N9 DG B 16 1.357 3.720 12.031 1.00 0.00 N ATOM 489 C8 DG B 16 1.611 4.941 11.466 1.00 0.00 C ATOM 490 N7 DG B 16 2.667 4.947 10.699 1.00 0.00 N ATOM 491 C5 DG B 16 3.142 3.643 10.766 1.00 0.00 C ATOM 492 C6 DG B 16 4.264 3.039 10.144 1.00 0.00 C ATOM 493 O6 DG B 16 5.096 3.552 9.386 1.00 0.00 O ATOM 494 N1 DG B 16 4.375 1.693 10.482 1.00 0.00 N ATOM 495 C2 DG B 16 3.517 1.017 11.314 1.00 0.00 C ATOM 496 N2 DG B 16 3.790 -0.274 11.520 1.00 0.00 N ATOM 497 N3 DG B 16 2.469 1.568 11.900 1.00 0.00 N ATOM 498 C4 DG B 16 2.342 2.873 11.583 1.00 0.00 C ATOM 0 H5' DG B 16 -2.876 3.865 10.837 1.00 0.00 H new ATOM 0 H5'' DG B 16 -3.930 4.373 12.142 1.00 0.00 H new ATOM 0 H4' DG B 16 -2.740 2.695 13.102 1.00 0.00 H new ATOM 0 H3' DG B 16 -2.223 5.159 14.235 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.017 5.503 13.338 1.00 0.00 H new ATOM 0 H2'' DG B 16 0.394 4.556 14.754 1.00 0.00 H new ATOM 0 HO3' DG B 16 -1.525 3.933 16.013 1.00 0.00 H new ATOM 0 H1' DG B 16 0.611 2.577 13.564 1.00 0.00 H new ATOM 0 H8 DG B 16 0.998 5.813 11.638 1.00 0.00 H new ATOM 0 H1 DG B 16 5.153 1.169 10.081 1.00 0.00 H new ATOM 0 H21 DG B 16 3.190 -0.831 12.128 1.00 0.00 H new ATOM 0 H22 DG B 16 4.598 -0.703 11.069 1.00 0.00 H new TER 511 DG B 16