USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 266 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc=-0.00048 USER MOD Single : A 24 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 8.324 2.248 6.035 1.00 0.00 O ATOM 2 C5' DG A 1 9.309 1.526 5.290 1.00 0.00 C ATOM 3 C4' DG A 1 9.260 1.878 3.804 1.00 0.00 C ATOM 4 O4' DG A 1 8.045 1.349 3.189 1.00 0.00 O ATOM 5 C3' DG A 1 9.263 3.392 3.596 1.00 0.00 C ATOM 6 O3' DG A 1 10.313 3.729 2.686 1.00 0.00 O ATOM 7 C2' DG A 1 7.930 3.723 3.015 1.00 0.00 C ATOM 8 C1' DG A 1 7.415 2.427 2.454 1.00 0.00 C ATOM 9 N9 DG A 1 5.952 2.370 2.557 1.00 0.00 N ATOM 10 C8 DG A 1 5.161 2.619 3.619 1.00 0.00 C ATOM 11 N7 DG A 1 3.883 2.525 3.451 1.00 0.00 N ATOM 12 C5 DG A 1 3.802 2.168 2.100 1.00 0.00 C ATOM 13 C6 DG A 1 2.665 1.913 1.288 1.00 0.00 C ATOM 14 O6 DG A 1 1.478 1.951 1.606 1.00 0.00 O ATOM 15 N1 DG A 1 3.031 1.591 -0.013 1.00 0.00 N ATOM 16 C2 DG A 1 4.327 1.517 -0.480 1.00 0.00 C ATOM 17 N2 DG A 1 4.473 1.198 -1.765 1.00 0.00 N ATOM 18 N3 DG A 1 5.401 1.753 0.277 1.00 0.00 N ATOM 19 C4 DG A 1 5.070 2.071 1.547 1.00 0.00 C ATOM 0 H5' DG A 1 9.149 0.455 5.416 1.00 0.00 H new ATOM 0 H5'' DG A 1 10.300 1.749 5.685 1.00 0.00 H new ATOM 0 H4' DG A 1 10.144 1.437 3.344 1.00 0.00 H new ATOM 0 H3' DG A 1 9.431 3.945 4.520 1.00 0.00 H new ATOM 0 H2' DG A 1 7.256 4.119 3.775 1.00 0.00 H new ATOM 0 H2'' DG A 1 8.016 4.482 2.238 1.00 0.00 H new ATOM 0 HO5' DG A 1 8.381 1.998 6.981 1.00 0.00 H new ATOM 0 H1' DG A 1 7.659 2.339 1.395 1.00 0.00 H new ATOM 0 H8 DG A 1 5.580 2.888 4.577 1.00 0.00 H new ATOM 0 H1 DG A 1 2.281 1.393 -0.676 1.00 0.00 H new ATOM 0 H21 DG A 1 5.406 1.127 -2.170 1.00 0.00 H new ATOM 0 H22 DG A 1 3.651 1.024 -2.344 1.00 0.00 H new ATOM 32 P DG A 2 10.771 5.256 2.480 1.00 0.00 P ATOM 33 OP1 DG A 2 12.236 5.334 2.676 1.00 0.00 O ATOM 34 OP2 DG A 2 9.870 6.124 3.269 1.00 0.00 O ATOM 35 O5' DG A 2 10.456 5.483 0.916 1.00 0.00 O ATOM 36 C5' DG A 2 10.576 4.392 -0.003 1.00 0.00 C ATOM 37 C4' DG A 2 9.788 4.633 -1.291 1.00 0.00 C ATOM 38 O4' DG A 2 8.375 4.331 -1.104 1.00 0.00 O ATOM 39 C3' DG A 2 9.902 6.087 -1.750 1.00 0.00 C ATOM 40 O3' DG A 2 10.542 6.111 -3.031 1.00 0.00 O ATOM 41 C2' DG A 2 8.498 6.603 -1.837 1.00 0.00 C ATOM 42 C1' DG A 2 7.612 5.387 -1.736 1.00 0.00 C ATOM 43 N9 DG A 2 6.388 5.688 -0.977 1.00 0.00 N ATOM 44 C8 DG A 2 6.240 6.034 0.323 1.00 0.00 C ATOM 45 N7 DG A 2 5.041 6.256 0.750 1.00 0.00 N ATOM 46 C5 DG A 2 4.282 6.033 -0.405 1.00 0.00 C ATOM 47 C6 DG A 2 2.876 6.114 -0.605 1.00 0.00 C ATOM 48 O6 DG A 2 2.005 6.407 0.212 1.00 0.00 O ATOM 49 N1 DG A 2 2.528 5.812 -1.917 1.00 0.00 N ATOM 50 C2 DG A 2 3.418 5.472 -2.917 1.00 0.00 C ATOM 51 N2 DG A 2 2.890 5.218 -4.114 1.00 0.00 N ATOM 52 N3 DG A 2 4.740 5.394 -2.736 1.00 0.00 N ATOM 53 C4 DG A 2 5.102 5.684 -1.466 1.00 0.00 C ATOM 0 H5' DG A 2 10.221 3.478 0.473 1.00 0.00 H new ATOM 0 H5'' DG A 2 11.627 4.237 -0.246 1.00 0.00 H new ATOM 0 H4' DG A 2 10.216 3.973 -2.046 1.00 0.00 H new ATOM 0 H3' DG A 2 10.491 6.702 -1.070 1.00 0.00 H new ATOM 0 H2' DG A 2 8.289 7.308 -1.033 1.00 0.00 H new ATOM 0 H2'' DG A 2 8.332 7.132 -2.776 1.00 0.00 H new ATOM 0 H1' DG A 2 7.295 5.071 -2.730 1.00 0.00 H new ATOM 0 H8 DG A 2 7.093 6.121 0.980 1.00 0.00 H new ATOM 0 H1 DG A 2 1.538 5.844 -2.160 1.00 0.00 H new ATOM 0 H21 DG A 2 3.495 4.961 -4.894 1.00 0.00 H new ATOM 0 H22 DG A 2 1.881 5.280 -4.250 1.00 0.00 H new ATOM 65 P DA A 3 11.119 7.480 -3.648 1.00 0.00 P ATOM 66 OP1 DA A 3 12.590 7.476 -3.486 1.00 0.00 O ATOM 67 OP2 DA A 3 10.319 8.605 -3.114 1.00 0.00 O ATOM 68 O5' DA A 3 10.783 7.319 -5.218 1.00 0.00 O ATOM 69 C5' DA A 3 9.534 6.758 -5.647 1.00 0.00 C ATOM 70 C4' DA A 3 9.737 5.488 -6.470 1.00 0.00 C ATOM 71 O4' DA A 3 10.241 4.408 -5.633 1.00 0.00 O ATOM 72 C3' DA A 3 8.426 5.021 -7.091 1.00 0.00 C ATOM 73 O3' DA A 3 8.346 5.464 -8.448 1.00 0.00 O ATOM 74 C2' DA A 3 8.463 3.532 -7.006 1.00 0.00 C ATOM 75 C1' DA A 3 9.460 3.211 -5.907 1.00 0.00 C ATOM 76 N9 DA A 3 8.771 2.763 -4.677 1.00 0.00 N ATOM 77 C8 DA A 3 7.499 2.988 -4.260 1.00 0.00 C ATOM 78 N7 DA A 3 7.153 2.512 -3.113 1.00 0.00 N ATOM 79 C5 DA A 3 8.332 1.887 -2.701 1.00 0.00 C ATOM 80 C6 DA A 3 8.669 1.172 -1.547 1.00 0.00 C ATOM 81 N6 DA A 3 7.815 0.964 -0.546 1.00 0.00 N ATOM 82 N1 DA A 3 9.920 0.689 -1.461 1.00 0.00 N ATOM 83 C2 DA A 3 10.792 0.895 -2.450 1.00 0.00 C ATOM 84 N3 DA A 3 10.582 1.559 -3.583 1.00 0.00 N ATOM 85 C4 DA A 3 9.320 2.033 -3.646 1.00 0.00 C ATOM 0 H5' DA A 3 8.990 7.493 -6.240 1.00 0.00 H new ATOM 0 H5'' DA A 3 8.918 6.533 -4.776 1.00 0.00 H new ATOM 0 H4' DA A 3 10.455 5.728 -7.254 1.00 0.00 H new ATOM 0 H3' DA A 3 7.552 5.424 -6.580 1.00 0.00 H new ATOM 0 H2' DA A 3 7.478 3.128 -6.772 1.00 0.00 H new ATOM 0 H2'' DA A 3 8.771 3.093 -7.955 1.00 0.00 H new ATOM 0 H1' DA A 3 10.110 2.400 -6.235 1.00 0.00 H new ATOM 0 H8 DA A 3 6.802 3.546 -4.867 1.00 0.00 H new ATOM 0 H61 DA A 3 8.110 0.435 0.275 1.00 0.00 H new ATOM 0 H62 DA A 3 6.866 1.333 -0.600 1.00 0.00 H new ATOM 0 H2 DA A 3 11.778 0.476 -2.315 1.00 0.00 H new ATOM 97 P DG A 4 6.912 5.719 -9.138 1.00 0.00 P ATOM 98 OP1 DG A 4 7.085 5.636 -10.607 1.00 0.00 O ATOM 99 OP2 DG A 4 6.316 6.931 -8.534 1.00 0.00 O ATOM 100 O5' DG A 4 6.054 4.442 -8.659 1.00 0.00 O ATOM 101 C5' DG A 4 5.556 3.495 -9.612 1.00 0.00 C ATOM 102 C4' DG A 4 4.036 3.354 -9.531 1.00 0.00 C ATOM 103 O4' DG A 4 3.658 2.470 -8.439 1.00 0.00 O ATOM 104 C3' DG A 4 3.361 4.705 -9.297 1.00 0.00 C ATOM 105 O3' DG A 4 2.518 5.009 -10.411 1.00 0.00 O ATOM 106 C2' DG A 4 2.559 4.556 -8.044 1.00 0.00 C ATOM 107 C1' DG A 4 2.543 3.080 -7.746 1.00 0.00 C ATOM 108 N9 DG A 4 2.626 2.835 -6.295 1.00 0.00 N ATOM 109 C8 DG A 4 3.715 2.649 -5.510 1.00 0.00 C ATOM 110 N7 DG A 4 3.516 2.440 -4.253 1.00 0.00 N ATOM 111 C5 DG A 4 2.121 2.492 -4.172 1.00 0.00 C ATOM 112 C6 DG A 4 1.270 2.336 -3.046 1.00 0.00 C ATOM 113 O6 DG A 4 1.581 2.119 -1.880 1.00 0.00 O ATOM 114 N1 DG A 4 -0.067 2.461 -3.398 1.00 0.00 N ATOM 115 C2 DG A 4 -0.535 2.705 -4.672 1.00 0.00 C ATOM 116 N2 DG A 4 -1.857 2.805 -4.802 1.00 0.00 N ATOM 117 N3 DG A 4 0.259 2.853 -5.738 1.00 0.00 N ATOM 118 C4 DG A 4 1.568 2.734 -5.419 1.00 0.00 C ATOM 0 H5' DG A 4 6.021 2.525 -9.437 1.00 0.00 H new ATOM 0 H5'' DG A 4 5.839 3.808 -10.617 1.00 0.00 H new ATOM 0 H4' DG A 4 3.708 2.941 -10.485 1.00 0.00 H new ATOM 0 H3' DG A 4 4.082 5.517 -9.198 1.00 0.00 H new ATOM 0 H2' DG A 4 3.006 5.117 -7.223 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.548 4.940 -8.178 1.00 0.00 H new ATOM 0 H1' DG A 4 1.607 2.641 -8.090 1.00 0.00 H new ATOM 0 H8 DG A 4 4.713 2.675 -5.922 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.759 2.365 -2.655 1.00 0.00 H new ATOM 0 H21 DG A 4 -2.267 2.985 -5.718 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.459 2.702 -3.985 1.00 0.00 H new ATOM 130 P DG A 5 1.930 6.495 -10.608 1.00 0.00 P ATOM 131 OP1 DG A 5 1.918 6.801 -12.056 1.00 0.00 O ATOM 132 OP2 DG A 5 2.629 7.398 -9.667 1.00 0.00 O ATOM 133 O5' DG A 5 0.407 6.328 -10.113 1.00 0.00 O ATOM 134 C5' DG A 5 -0.324 5.135 -10.415 1.00 0.00 C ATOM 135 C4' DG A 5 -1.633 5.056 -9.629 1.00 0.00 C ATOM 136 O4' DG A 5 -1.399 4.584 -8.274 1.00 0.00 O ATOM 137 C3' DG A 5 -2.310 6.421 -9.538 1.00 0.00 C ATOM 138 O3' DG A 5 -3.558 6.362 -10.241 1.00 0.00 O ATOM 139 C2' DG A 5 -2.520 6.686 -8.083 1.00 0.00 C ATOM 140 C1' DG A 5 -2.204 5.392 -7.382 1.00 0.00 C ATOM 141 N9 DG A 5 -1.485 5.657 -6.135 1.00 0.00 N ATOM 142 C8 DG A 5 -0.210 6.055 -5.957 1.00 0.00 C ATOM 143 N7 DG A 5 0.200 6.221 -4.742 1.00 0.00 N ATOM 144 C5 DG A 5 -0.950 5.892 -4.009 1.00 0.00 C ATOM 145 C6 DG A 5 -1.168 5.872 -2.605 1.00 0.00 C ATOM 146 O6 DG A 5 -0.375 6.145 -1.706 1.00 0.00 O ATOM 147 N1 DG A 5 -2.469 5.485 -2.296 1.00 0.00 N ATOM 148 C2 DG A 5 -3.441 5.159 -3.218 1.00 0.00 C ATOM 149 N2 DG A 5 -4.633 4.826 -2.724 1.00 0.00 N ATOM 150 N3 DG A 5 -3.244 5.174 -4.538 1.00 0.00 N ATOM 151 C4 DG A 5 -1.985 5.547 -4.863 1.00 0.00 C ATOM 0 H5' DG A 5 0.291 4.264 -10.186 1.00 0.00 H new ATOM 0 H5'' DG A 5 -0.539 5.101 -11.483 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.277 4.359 -10.165 1.00 0.00 H new ATOM 0 H3' DG A 5 -1.714 7.217 -9.983 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.871 7.489 -7.734 1.00 0.00 H new ATOM 0 H2'' DG A 5 -3.546 6.997 -7.886 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.123 4.862 -7.130 1.00 0.00 H new ATOM 0 H8 DG A 5 0.445 6.229 -6.798 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.723 5.439 -1.309 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.394 4.574 -3.355 1.00 0.00 H new ATOM 0 H22 DG A 5 -4.784 4.823 -1.715 1.00 0.00 H new ATOM 163 P DA A 6 -4.370 7.699 -10.616 1.00 0.00 P ATOM 164 OP1 DA A 6 -4.095 8.026 -12.033 1.00 0.00 O ATOM 165 OP2 DA A 6 -4.118 8.706 -9.562 1.00 0.00 O ATOM 166 O5' DA A 6 -5.905 7.213 -10.497 1.00 0.00 O ATOM 167 C5' DA A 6 -6.442 6.779 -9.239 1.00 0.00 C ATOM 168 C4' DA A 6 -7.205 5.460 -9.370 1.00 0.00 C ATOM 169 O4' DA A 6 -6.377 4.439 -9.998 1.00 0.00 O ATOM 170 C3' DA A 6 -7.635 4.930 -8.009 1.00 0.00 C ATOM 171 O3' DA A 6 -8.989 5.299 -7.745 1.00 0.00 O ATOM 172 C2' DA A 6 -7.482 3.448 -8.100 1.00 0.00 C ATOM 173 C1' DA A 6 -6.502 3.208 -9.232 1.00 0.00 C ATOM 174 N9 DA A 6 -5.176 2.793 -8.721 1.00 0.00 N ATOM 175 C8 DA A 6 -4.651 2.882 -7.470 1.00 0.00 C ATOM 176 N7 DA A 6 -3.442 2.466 -7.298 1.00 0.00 N ATOM 177 C5 DA A 6 -3.103 2.043 -8.584 1.00 0.00 C ATOM 178 C6 DA A 6 -1.939 1.486 -9.119 1.00 0.00 C ATOM 179 N6 DA A 6 -0.846 1.252 -8.394 1.00 0.00 N ATOM 180 N1 DA A 6 -1.940 1.185 -10.429 1.00 0.00 N ATOM 181 C2 DA A 6 -3.022 1.419 -11.174 1.00 0.00 C ATOM 182 N3 DA A 6 -4.177 1.945 -10.772 1.00 0.00 N ATOM 183 C4 DA A 6 -4.151 2.237 -9.456 1.00 0.00 C ATOM 0 H5' DA A 6 -7.108 7.546 -8.844 1.00 0.00 H new ATOM 0 H5'' DA A 6 -5.632 6.660 -8.520 1.00 0.00 H new ATOM 0 H4' DA A 6 -8.082 5.668 -9.983 1.00 0.00 H new ATOM 0 H3' DA A 6 -7.039 5.339 -7.194 1.00 0.00 H new ATOM 0 H2' DA A 6 -7.108 3.034 -7.163 1.00 0.00 H new ATOM 0 H2'' DA A 6 -8.439 2.967 -8.301 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.876 2.401 -9.862 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.225 3.286 -6.650 1.00 0.00 H new ATOM 0 H61 DA A 6 -0.021 0.843 -8.833 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.834 1.482 -7.400 1.00 0.00 H new ATOM 0 H2 DA A 6 -2.953 1.152 -12.218 1.00 0.00 H new ATOM 195 P DG A 7 -9.576 5.184 -6.251 1.00 0.00 P ATOM 196 OP1 DG A 7 -11.002 4.794 -6.342 1.00 0.00 O ATOM 197 OP2 DG A 7 -9.190 6.402 -5.506 1.00 0.00 O ATOM 198 O5' DG A 7 -8.750 3.937 -5.646 1.00 0.00 O ATOM 199 C5' DG A 7 -9.417 2.714 -5.314 1.00 0.00 C ATOM 200 C4' DG A 7 -9.227 2.346 -3.842 1.00 0.00 C ATOM 201 O4' DG A 7 -7.947 1.689 -3.631 1.00 0.00 O ATOM 202 C3' DG A 7 -9.271 3.587 -2.946 1.00 0.00 C ATOM 203 O3' DG A 7 -10.437 3.533 -2.121 1.00 0.00 O ATOM 204 C2' DG A 7 -8.021 3.533 -2.116 1.00 0.00 C ATOM 205 C1' DG A 7 -7.415 2.173 -2.378 1.00 0.00 C ATOM 206 N9 DG A 7 -5.946 2.253 -2.419 1.00 0.00 N ATOM 207 C8 DG A 7 -5.105 2.257 -3.481 1.00 0.00 C ATOM 208 N7 DG A 7 -3.838 2.317 -3.242 1.00 0.00 N ATOM 209 C5 DG A 7 -3.815 2.363 -1.844 1.00 0.00 C ATOM 210 C6 DG A 7 -2.711 2.438 -0.953 1.00 0.00 C ATOM 211 O6 DG A 7 -1.514 2.480 -1.225 1.00 0.00 O ATOM 212 N1 DG A 7 -3.126 2.466 0.372 1.00 0.00 N ATOM 213 C2 DG A 7 -4.440 2.426 0.794 1.00 0.00 C ATOM 214 N2 DG A 7 -4.636 2.477 2.110 1.00 0.00 N ATOM 215 N3 DG A 7 -5.484 2.353 -0.037 1.00 0.00 N ATOM 216 C4 DG A 7 -5.103 2.325 -1.334 1.00 0.00 C ATOM 0 H5' DG A 7 -9.035 1.909 -5.942 1.00 0.00 H new ATOM 0 H5'' DG A 7 -10.481 2.810 -5.531 1.00 0.00 H new ATOM 0 H4' DG A 7 -10.044 1.673 -3.581 1.00 0.00 H new ATOM 0 H3' DG A 7 -9.319 4.514 -3.517 1.00 0.00 H new ATOM 0 H2' DG A 7 -7.331 4.329 -2.395 1.00 0.00 H new ATOM 0 H2'' DG A 7 -8.248 3.664 -1.058 1.00 0.00 H new ATOM 0 H1' DG A 7 -7.670 1.483 -1.574 1.00 0.00 H new ATOM 0 H8 DG A 7 -5.481 2.212 -4.492 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.403 2.520 1.090 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.584 2.451 2.486 1.00 0.00 H new ATOM 0 H22 DG A 7 -3.838 2.542 2.742 1.00 0.00 H new ATOM 228 P DG A 8 -10.960 4.851 -1.357 1.00 0.00 P ATOM 229 OP1 DG A 8 -12.323 4.581 -0.847 1.00 0.00 O ATOM 230 OP2 DG A 8 -10.719 6.019 -2.233 1.00 0.00 O ATOM 231 O5' DG A 8 -9.962 4.953 -0.095 1.00 0.00 O ATOM 232 C5' DG A 8 -10.228 4.219 1.104 1.00 0.00 C ATOM 233 C4' DG A 8 -9.497 4.819 2.306 1.00 0.00 C ATOM 234 O4' DG A 8 -8.105 4.396 2.333 1.00 0.00 O ATOM 235 C3' DG A 8 -9.528 6.348 2.258 1.00 0.00 C ATOM 236 O3' DG A 8 -10.129 6.839 3.458 1.00 0.00 O ATOM 237 C2' DG A 8 -8.097 6.776 2.184 1.00 0.00 C ATOM 238 C1' DG A 8 -7.300 5.566 2.600 1.00 0.00 C ATOM 239 N9 DG A 8 -6.019 5.507 1.889 1.00 0.00 N ATOM 240 C8 DG A 8 -5.754 5.696 0.580 1.00 0.00 C ATOM 241 N7 DG A 8 -4.523 5.596 0.197 1.00 0.00 N ATOM 242 C5 DG A 8 -3.875 5.306 1.406 1.00 0.00 C ATOM 243 C6 DG A 8 -2.497 5.079 1.677 1.00 0.00 C ATOM 244 O6 DG A 8 -1.553 5.088 0.890 1.00 0.00 O ATOM 245 N1 DG A 8 -2.280 4.821 3.027 1.00 0.00 N ATOM 246 C2 DG A 8 -3.259 4.787 3.997 1.00 0.00 C ATOM 247 N2 DG A 8 -2.850 4.530 5.238 1.00 0.00 N ATOM 248 N3 DG A 8 -4.552 4.998 3.750 1.00 0.00 N ATOM 249 C4 DG A 8 -4.790 5.250 2.444 1.00 0.00 C ATOM 0 H5' DG A 8 -9.921 3.182 0.972 1.00 0.00 H new ATOM 0 H5'' DG A 8 -11.301 4.212 1.296 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.010 4.465 3.200 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.101 6.728 1.412 1.00 0.00 H new ATOM 0 H2' DG A 8 -7.833 7.094 1.175 1.00 0.00 H new ATOM 0 H2'' DG A 8 -7.904 7.621 2.845 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.062 5.619 3.662 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.542 5.923 -0.123 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.320 4.643 3.322 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.527 4.491 6.000 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.860 4.372 5.426 1.00 0.00 H new ATOM 261 P DA A 9 -11.709 6.698 3.717 1.00 0.00 P ATOM 262 OP1 DA A 9 -12.275 5.808 2.679 1.00 0.00 O ATOM 263 OP2 DA A 9 -12.272 8.053 3.917 1.00 0.00 O ATOM 264 O5' DA A 9 -11.743 5.921 5.128 1.00 0.00 O ATOM 265 C5' DA A 9 -10.532 5.717 5.868 1.00 0.00 C ATOM 266 C4' DA A 9 -10.521 4.359 6.572 1.00 0.00 C ATOM 267 O4' DA A 9 -10.929 3.300 5.662 1.00 0.00 O ATOM 268 C3' DA A 9 -9.131 4.005 7.090 1.00 0.00 C ATOM 269 O3' DA A 9 -9.012 4.358 8.469 1.00 0.00 O ATOM 270 C2' DA A 9 -8.999 2.535 6.889 1.00 0.00 C ATOM 271 C1' DA A 9 -10.011 2.183 5.819 1.00 0.00 C ATOM 272 N9 DA A 9 -9.328 1.892 4.547 1.00 0.00 N ATOM 273 C8 DA A 9 -8.158 2.376 4.068 1.00 0.00 C ATOM 274 N7 DA A 9 -7.765 1.957 2.913 1.00 0.00 N ATOM 275 C5 DA A 9 -8.798 1.082 2.567 1.00 0.00 C ATOM 276 C6 DA A 9 -9.022 0.280 1.445 1.00 0.00 C ATOM 277 N6 DA A 9 -8.177 0.223 0.417 1.00 0.00 N ATOM 278 N1 DA A 9 -10.144 -0.460 1.426 1.00 0.00 N ATOM 279 C2 DA A 9 -10.997 -0.418 2.451 1.00 0.00 C ATOM 280 N3 DA A 9 -10.884 0.304 3.562 1.00 0.00 N ATOM 281 C4 DA A 9 -9.754 1.036 3.556 1.00 0.00 C ATOM 0 H5' DA A 9 -10.419 6.511 6.607 1.00 0.00 H new ATOM 0 H5'' DA A 9 -9.678 5.784 5.194 1.00 0.00 H new ATOM 0 H4' DA A 9 -11.218 4.440 7.406 1.00 0.00 H new ATOM 0 H3' DA A 9 -8.343 4.546 6.567 1.00 0.00 H new ATOM 0 H2' DA A 9 -7.989 2.270 6.577 1.00 0.00 H new ATOM 0 H2'' DA A 9 -9.199 1.993 7.813 1.00 0.00 H new ATOM 0 H1' DA A 9 -10.567 1.292 6.113 1.00 0.00 H new ATOM 0 H8 DA A 9 -7.574 3.088 4.633 1.00 0.00 H new ATOM 0 H61 DA A 9 -8.384 -0.378 -0.381 1.00 0.00 H new ATOM 0 H62 DA A 9 -7.323 0.780 0.427 1.00 0.00 H new ATOM 0 H2 DA A 9 -11.877 -1.039 2.369 1.00 0.00 H new ATOM 293 P DG A 10 -7.555 4.536 9.133 1.00 0.00 P ATOM 294 OP1 DG A 10 -7.671 4.262 10.583 1.00 0.00 O ATOM 295 OP2 DG A 10 -6.990 5.824 8.669 1.00 0.00 O ATOM 296 O5' DG A 10 -6.707 3.341 8.458 1.00 0.00 O ATOM 297 C5' DG A 10 -6.419 2.148 9.195 1.00 0.00 C ATOM 298 C4' DG A 10 -4.917 1.869 9.270 1.00 0.00 C ATOM 299 O4' DG A 10 -4.437 1.212 8.066 1.00 0.00 O ATOM 300 C3' DG A 10 -4.114 3.157 9.448 1.00 0.00 C ATOM 301 O3' DG A 10 -3.586 3.192 10.773 1.00 0.00 O ATOM 302 C2' DG A 10 -3.021 3.102 8.421 1.00 0.00 C ATOM 303 C1' DG A 10 -3.112 1.728 7.795 1.00 0.00 C ATOM 304 N9 DG A 10 -2.868 1.792 6.343 1.00 0.00 N ATOM 305 C8 DG A 10 -3.752 1.945 5.327 1.00 0.00 C ATOM 306 N7 DG A 10 -3.284 1.960 4.125 1.00 0.00 N ATOM 307 C5 DG A 10 -1.914 1.800 4.348 1.00 0.00 C ATOM 308 C6 DG A 10 -0.844 1.734 3.418 1.00 0.00 C ATOM 309 O6 DG A 10 -0.894 1.806 2.191 1.00 0.00 O ATOM 310 N1 DG A 10 0.377 1.566 4.057 1.00 0.00 N ATOM 311 C2 DG A 10 0.552 1.472 5.422 1.00 0.00 C ATOM 312 N2 DG A 10 1.806 1.317 5.844 1.00 0.00 N ATOM 313 N3 DG A 10 -0.449 1.532 6.306 1.00 0.00 N ATOM 314 C4 DG A 10 -1.650 1.695 5.706 1.00 0.00 C ATOM 0 H5' DG A 10 -6.922 1.302 8.726 1.00 0.00 H new ATOM 0 H5'' DG A 10 -6.822 2.239 10.204 1.00 0.00 H new ATOM 0 H4' DG A 10 -4.774 1.219 10.133 1.00 0.00 H new ATOM 0 H3' DG A 10 -4.716 4.056 9.314 1.00 0.00 H new ATOM 0 H2' DG A 10 -3.149 3.883 7.671 1.00 0.00 H new ATOM 0 H2'' DG A 10 -2.045 3.259 8.880 1.00 0.00 H new ATOM 0 H1' DG A 10 -2.352 1.072 8.219 1.00 0.00 H new ATOM 0 H8 DG A 10 -4.810 2.051 5.517 1.00 0.00 H new ATOM 0 H1 DG A 10 1.210 1.507 3.471 1.00 0.00 H new ATOM 0 H21 DG A 10 2.003 1.241 6.842 1.00 0.00 H new ATOM 0 H22 DG A 10 2.570 1.274 5.169 1.00 0.00 H new ATOM 326 P DG A 11 -3.041 4.569 11.396 1.00 0.00 P ATOM 327 OP1 DG A 11 -4.029 5.054 12.385 1.00 0.00 O ATOM 328 OP2 DG A 11 -2.615 5.447 10.283 1.00 0.00 O ATOM 329 O5' DG A 11 -1.729 4.084 12.187 1.00 0.00 O ATOM 330 C5' DG A 11 -0.999 2.931 11.753 1.00 0.00 C ATOM 331 C4' DG A 11 0.344 3.316 11.166 1.00 0.00 C ATOM 332 O4' DG A 11 0.267 3.450 9.727 1.00 0.00 O ATOM 333 C3' DG A 11 0.817 4.635 11.744 1.00 0.00 C ATOM 334 O3' DG A 11 1.970 4.393 12.555 1.00 0.00 O ATOM 335 C2' DG A 11 1.131 5.482 10.558 1.00 0.00 C ATOM 336 C1' DG A 11 1.132 4.540 9.383 1.00 0.00 C ATOM 337 N9 DG A 11 0.671 5.219 8.168 1.00 0.00 N ATOM 338 C8 DG A 11 -0.505 5.828 7.941 1.00 0.00 C ATOM 339 N7 DG A 11 -0.693 6.359 6.779 1.00 0.00 N ATOM 340 C5 DG A 11 0.518 6.070 6.138 1.00 0.00 C ATOM 341 C6 DG A 11 0.953 6.384 4.823 1.00 0.00 C ATOM 342 O6 DG A 11 0.345 6.990 3.942 1.00 0.00 O ATOM 343 N1 DG A 11 2.237 5.908 4.584 1.00 0.00 N ATOM 344 C2 DG A 11 3.010 5.218 5.494 1.00 0.00 C ATOM 345 N2 DG A 11 4.221 4.849 5.078 1.00 0.00 N ATOM 346 N3 DG A 11 2.608 4.918 6.733 1.00 0.00 N ATOM 347 C4 DG A 11 1.360 5.370 6.987 1.00 0.00 C ATOM 0 H5' DG A 11 -1.581 2.389 11.008 1.00 0.00 H new ATOM 0 H5'' DG A 11 -0.850 2.255 12.595 1.00 0.00 H new ATOM 0 H4' DG A 11 1.047 2.522 11.419 1.00 0.00 H new ATOM 0 H3' DG A 11 0.081 5.127 12.381 1.00 0.00 H new ATOM 0 H2' DG A 11 0.388 6.269 10.430 1.00 0.00 H new ATOM 0 H2'' DG A 11 2.098 5.972 10.670 1.00 0.00 H new ATOM 0 H1' DG A 11 2.139 4.180 9.173 1.00 0.00 H new ATOM 0 H8 DG A 11 -1.267 5.872 8.705 1.00 0.00 H new ATOM 0 H1 DG A 11 2.639 6.083 3.663 1.00 0.00 H new ATOM 0 H21 DG A 11 4.841 4.336 5.704 1.00 0.00 H new ATOM 0 H22 DG A 11 4.528 5.080 4.133 1.00 0.00 H new ATOM 359 P DA A 12 1.820 3.704 14.008 1.00 0.00 P ATOM 360 OP1 DA A 12 1.320 4.727 14.954 1.00 0.00 O ATOM 361 OP2 DA A 12 3.072 2.976 14.306 1.00 0.00 O ATOM 362 O5' DA A 12 0.646 2.616 13.778 1.00 0.00 O ATOM 363 C5' DA A 12 0.853 1.228 14.088 1.00 0.00 C ATOM 364 C4' DA A 12 0.842 0.369 12.819 1.00 0.00 C ATOM 365 O4' DA A 12 1.322 1.180 11.723 1.00 0.00 O ATOM 366 C3' DA A 12 1.772 -0.832 12.960 1.00 0.00 C ATOM 367 O3' DA A 12 1.141 -1.969 12.356 1.00 0.00 O ATOM 368 C2' DA A 12 2.999 -0.452 12.200 1.00 0.00 C ATOM 369 C1' DA A 12 2.526 0.585 11.203 1.00 0.00 C ATOM 370 N9 DA A 12 3.525 1.639 11.040 1.00 0.00 N ATOM 371 C8 DA A 12 4.250 2.264 11.982 1.00 0.00 C ATOM 372 N7 DA A 12 5.041 3.212 11.603 1.00 0.00 N ATOM 373 C5 DA A 12 4.808 3.225 10.223 1.00 0.00 C ATOM 374 C6 DA A 12 5.316 4.002 9.179 1.00 0.00 C ATOM 375 N6 DA A 12 6.220 4.965 9.359 1.00 0.00 N ATOM 376 N1 DA A 12 4.857 3.746 7.942 1.00 0.00 N ATOM 377 C2 DA A 12 3.951 2.785 7.746 1.00 0.00 C ATOM 378 N3 DA A 12 3.410 1.992 8.656 1.00 0.00 N ATOM 379 C4 DA A 12 3.883 2.266 9.880 1.00 0.00 C ATOM 0 H5' DA A 12 0.074 0.885 14.769 1.00 0.00 H new ATOM 0 H5'' DA A 12 1.805 1.106 14.605 1.00 0.00 H new ATOM 0 H4' DA A 12 -0.173 0.011 12.645 1.00 0.00 H new ATOM 0 H3' DA A 12 2.002 -1.084 13.995 1.00 0.00 H new ATOM 0 H2' DA A 12 3.765 -0.046 12.861 1.00 0.00 H new ATOM 0 H2'' DA A 12 3.437 -1.314 11.697 1.00 0.00 H new ATOM 0 H1' DA A 12 2.356 0.107 10.238 1.00 0.00 H new ATOM 0 H8 DA A 12 4.174 1.983 13.022 1.00 0.00 H new ATOM 0 H61 DA A 12 6.558 5.503 8.561 1.00 0.00 H new ATOM 0 H62 DA A 12 6.574 5.164 10.295 1.00 0.00 H new ATOM 0 H2 DA A 12 3.622 2.638 6.728 1.00 0.00 H new ATOM 391 P DG A 13 -0.101 -2.702 13.068 1.00 0.00 P ATOM 392 OP1 DG A 13 -0.284 -2.105 14.411 1.00 0.00 O ATOM 393 OP2 DG A 13 0.084 -4.164 12.930 1.00 0.00 O ATOM 394 O5' DG A 13 -1.352 -2.262 12.146 1.00 0.00 O ATOM 395 C5' DG A 13 -1.171 -1.927 10.762 1.00 0.00 C ATOM 396 C4' DG A 13 -2.510 -1.823 10.027 1.00 0.00 C ATOM 397 O4' DG A 13 -2.368 -1.025 8.820 1.00 0.00 O ATOM 398 C3' DG A 13 -3.042 -3.198 9.629 1.00 0.00 C ATOM 399 O3' DG A 13 -4.349 -3.372 10.184 1.00 0.00 O ATOM 400 C2' DG A 13 -3.086 -3.220 8.140 1.00 0.00 C ATOM 401 C1' DG A 13 -2.822 -1.807 7.686 1.00 0.00 C ATOM 402 N9 DG A 13 -1.826 -1.781 6.599 1.00 0.00 N ATOM 403 C8 DG A 13 -0.505 -2.083 6.628 1.00 0.00 C ATOM 404 N7 DG A 13 0.159 -1.972 5.525 1.00 0.00 N ATOM 405 C5 DG A 13 -0.833 -1.543 4.637 1.00 0.00 C ATOM 406 C6 DG A 13 -0.744 -1.238 3.253 1.00 0.00 C ATOM 407 O6 DG A 13 0.243 -1.287 2.522 1.00 0.00 O ATOM 408 N1 DG A 13 -1.974 -0.843 2.738 1.00 0.00 N ATOM 409 C2 DG A 13 -3.146 -0.751 3.463 1.00 0.00 C ATOM 410 N2 DG A 13 -4.225 -0.353 2.789 1.00 0.00 N ATOM 411 N3 DG A 13 -3.237 -1.037 4.765 1.00 0.00 N ATOM 412 C4 DG A 13 -2.052 -1.423 5.289 1.00 0.00 C ATOM 0 H5' DG A 13 -0.550 -2.683 10.282 1.00 0.00 H new ATOM 0 H5'' DG A 13 -0.638 -0.980 10.683 1.00 0.00 H new ATOM 0 H4' DG A 13 -3.212 -1.351 10.714 1.00 0.00 H new ATOM 0 H3' DG A 13 -2.412 -4.007 10.000 1.00 0.00 H new ATOM 0 H2' DG A 13 -2.337 -3.903 7.739 1.00 0.00 H new ATOM 0 H2'' DG A 13 -4.056 -3.567 7.785 1.00 0.00 H new ATOM 0 H1' DG A 13 -3.743 -1.376 7.294 1.00 0.00 H new ATOM 0 H8 DG A 13 -0.025 -2.405 7.540 1.00 0.00 H new ATOM 0 H1 DG A 13 -2.014 -0.602 1.748 1.00 0.00 H new ATOM 0 H21 DG A 13 -5.121 -0.265 3.268 1.00 0.00 H new ATOM 0 H22 DG A 13 -4.154 -0.137 1.795 1.00 0.00 H new ATOM 424 P DG A 14 -5.030 -4.828 10.232 1.00 0.00 P ATOM 425 OP1 DG A 14 -6.110 -4.802 11.242 1.00 0.00 O ATOM 426 OP2 DG A 14 -3.954 -5.841 10.324 1.00 0.00 O ATOM 427 O5' DG A 14 -5.704 -4.942 8.774 1.00 0.00 O ATOM 428 C5' DG A 14 -6.704 -4.005 8.359 1.00 0.00 C ATOM 429 C4' DG A 14 -7.222 -4.328 6.959 1.00 0.00 C ATOM 430 O4' DG A 14 -6.294 -3.847 5.937 1.00 0.00 O ATOM 431 C3' DG A 14 -7.376 -5.835 6.771 1.00 0.00 C ATOM 432 O3' DG A 14 -8.661 -6.093 6.198 1.00 0.00 O ATOM 433 C2' DG A 14 -6.281 -6.224 5.832 1.00 0.00 C ATOM 434 C1' DG A 14 -5.975 -4.966 5.071 1.00 0.00 C ATOM 435 N9 DG A 14 -4.569 -4.942 4.650 1.00 0.00 N ATOM 436 C8 DG A 14 -3.452 -5.064 5.394 1.00 0.00 C ATOM 437 N7 DG A 14 -2.315 -5.025 4.782 1.00 0.00 N ATOM 438 C5 DG A 14 -2.718 -4.857 3.450 1.00 0.00 C ATOM 439 C6 DG A 14 -1.939 -4.745 2.266 1.00 0.00 C ATOM 440 O6 DG A 14 -0.715 -4.767 2.153 1.00 0.00 O ATOM 441 N1 DG A 14 -2.742 -4.592 1.140 1.00 0.00 N ATOM 442 C2 DG A 14 -4.121 -4.552 1.148 1.00 0.00 C ATOM 443 N2 DG A 14 -4.714 -4.406 -0.036 1.00 0.00 N ATOM 444 N3 DG A 14 -4.860 -4.656 2.257 1.00 0.00 N ATOM 445 C4 DG A 14 -4.099 -4.807 3.365 1.00 0.00 C ATOM 0 H5' DG A 14 -6.288 -2.997 8.372 1.00 0.00 H new ATOM 0 H5'' DG A 14 -7.533 -4.017 9.067 1.00 0.00 H new ATOM 0 H4' DG A 14 -8.188 -3.834 6.855 1.00 0.00 H new ATOM 0 H3' DG A 14 -7.310 -6.397 7.703 1.00 0.00 H new ATOM 0 H2' DG A 14 -5.405 -6.585 6.371 1.00 0.00 H new ATOM 0 H2'' DG A 14 -6.597 -7.025 5.164 1.00 0.00 H new ATOM 0 H1' DG A 14 -6.571 -4.910 4.160 1.00 0.00 H new ATOM 0 H8 DG A 14 -3.506 -5.190 6.465 1.00 0.00 H new ATOM 0 H1 DG A 14 -2.274 -4.502 0.238 1.00 0.00 H new ATOM 0 H21 DG A 14 -5.732 -4.369 -0.096 1.00 0.00 H new ATOM 0 H22 DG A 14 -4.150 -4.331 -0.883 1.00 0.00 H new ATOM 457 P DA A 15 -9.278 -7.576 6.168 1.00 0.00 P ATOM 458 OP1 DA A 15 -10.361 -7.650 7.174 1.00 0.00 O ATOM 459 OP2 DA A 15 -8.161 -8.546 6.212 1.00 0.00 O ATOM 460 O5' DA A 15 -9.943 -7.637 4.701 1.00 0.00 O ATOM 461 C5' DA A 15 -9.436 -6.824 3.634 1.00 0.00 C ATOM 462 C4' DA A 15 -10.338 -5.620 3.361 1.00 0.00 C ATOM 463 O4' DA A 15 -10.175 -4.601 4.390 1.00 0.00 O ATOM 464 C3' DA A 15 -10.007 -4.974 2.023 1.00 0.00 C ATOM 465 O3' DA A 15 -10.902 -5.455 1.019 1.00 0.00 O ATOM 466 C2' DA A 15 -10.173 -3.505 2.242 1.00 0.00 C ATOM 467 C1' DA A 15 -10.081 -3.300 3.742 1.00 0.00 C ATOM 468 N9 DA A 15 -8.816 -2.629 4.115 1.00 0.00 N ATOM 469 C8 DA A 15 -7.592 -2.683 3.527 1.00 0.00 C ATOM 470 N7 DA A 15 -6.639 -2.006 4.071 1.00 0.00 N ATOM 471 C5 DA A 15 -7.292 -1.423 5.160 1.00 0.00 C ATOM 472 C6 DA A 15 -6.856 -0.568 6.177 1.00 0.00 C ATOM 473 N6 DA A 15 -5.601 -0.128 6.270 1.00 0.00 N ATOM 474 N1 DA A 15 -7.762 -0.184 7.093 1.00 0.00 N ATOM 475 C2 DA A 15 -9.022 -0.615 7.018 1.00 0.00 C ATOM 476 N3 DA A 15 -9.541 -1.427 6.102 1.00 0.00 N ATOM 477 C4 DA A 15 -8.616 -1.797 5.194 1.00 0.00 C ATOM 0 H5' DA A 15 -9.348 -7.425 2.729 1.00 0.00 H new ATOM 0 H5'' DA A 15 -8.433 -6.478 3.885 1.00 0.00 H new ATOM 0 H4' DA A 15 -11.362 -5.994 3.355 1.00 0.00 H new ATOM 0 H3' DA A 15 -8.998 -5.208 1.682 1.00 0.00 H new ATOM 0 H2' DA A 15 -9.398 -2.942 1.722 1.00 0.00 H new ATOM 0 H2'' DA A 15 -11.132 -3.158 1.858 1.00 0.00 H new ATOM 0 H1' DA A 15 -10.898 -2.656 4.069 1.00 0.00 H new ATOM 0 H8 DA A 15 -7.424 -3.271 2.637 1.00 0.00 H new ATOM 0 H61 DA A 15 -5.334 0.495 7.032 1.00 0.00 H new ATOM 0 H62 DA A 15 -4.908 -0.414 5.579 1.00 0.00 H new ATOM 0 H2 DA A 15 -9.695 -0.266 7.787 1.00 0.00 H new ATOM 489 P DG A 16 -10.568 -5.219 -0.537 1.00 0.00 P ATOM 490 OP1 DG A 16 -11.837 -4.939 -1.248 1.00 0.00 O ATOM 491 OP2 DG A 16 -9.693 -6.320 -0.996 1.00 0.00 O ATOM 492 O5' DG A 16 -9.698 -3.862 -0.503 1.00 0.00 O ATOM 493 C5' DG A 16 -10.223 -2.644 -1.044 1.00 0.00 C ATOM 494 C4' DG A 16 -9.307 -2.065 -2.117 1.00 0.00 C ATOM 495 O4' DG A 16 -8.213 -1.322 -1.514 1.00 0.00 O ATOM 496 C3' DG A 16 -8.706 -3.169 -2.991 1.00 0.00 C ATOM 497 O3' DG A 16 -9.216 -3.046 -4.321 1.00 0.00 O ATOM 498 C2' DG A 16 -7.223 -2.959 -2.951 1.00 0.00 C ATOM 499 C1' DG A 16 -7.010 -1.637 -2.248 1.00 0.00 C ATOM 500 N9 DG A 16 -5.857 -1.718 -1.336 1.00 0.00 N ATOM 501 C8 DG A 16 -5.828 -1.773 0.018 1.00 0.00 C ATOM 502 N7 DG A 16 -4.673 -1.862 0.589 1.00 0.00 N ATOM 503 C5 DG A 16 -3.813 -1.869 -0.513 1.00 0.00 C ATOM 504 C6 DG A 16 -2.397 -1.952 -0.561 1.00 0.00 C ATOM 505 O6 DG A 16 -1.606 -2.036 0.376 1.00 0.00 O ATOM 506 N1 DG A 16 -1.930 -1.927 -1.868 1.00 0.00 N ATOM 507 C2 DG A 16 -2.723 -1.834 -2.995 1.00 0.00 C ATOM 508 N2 DG A 16 -2.086 -1.817 -4.165 1.00 0.00 N ATOM 509 N3 DG A 16 -4.055 -1.757 -2.958 1.00 0.00 N ATOM 510 C4 DG A 16 -4.533 -1.779 -1.695 1.00 0.00 C ATOM 0 H5' DG A 16 -10.352 -1.916 -0.243 1.00 0.00 H new ATOM 0 H5'' DG A 16 -11.210 -2.829 -1.469 1.00 0.00 H new ATOM 0 H4' DG A 16 -9.918 -1.404 -2.731 1.00 0.00 H new ATOM 0 H3' DG A 16 -8.960 -4.169 -2.640 1.00 0.00 H new ATOM 0 H2' DG A 16 -6.728 -3.770 -2.416 1.00 0.00 H new ATOM 0 H2'' DG A 16 -6.804 -2.938 -3.957 1.00 0.00 H new ATOM 0 H1' DG A 16 -6.800 -0.855 -2.977 1.00 0.00 H new ATOM 0 H8 DG A 16 -6.738 -1.743 0.599 1.00 0.00 H new ATOM 0 H1 DG A 16 -0.921 -1.982 -2.007 1.00 0.00 H new ATOM 0 H21 DG A 16 -2.617 -1.750 -5.034 1.00 0.00 H new ATOM 0 H22 DG A 16 -1.068 -1.871 -4.192 1.00 0.00 H new ATOM 522 P DG A 17 -9.571 -4.359 -5.181 1.00 0.00 P ATOM 523 OP1 DG A 17 -10.785 -4.078 -5.978 1.00 0.00 O ATOM 524 OP2 DG A 17 -9.536 -5.530 -4.275 1.00 0.00 O ATOM 525 O5' DG A 17 -8.319 -4.463 -6.186 1.00 0.00 O ATOM 526 C5' DG A 17 -7.927 -3.334 -6.969 1.00 0.00 C ATOM 527 C4' DG A 17 -6.533 -3.520 -7.562 1.00 0.00 C ATOM 528 O4' DG A 17 -5.498 -3.216 -6.580 1.00 0.00 O ATOM 529 C3' DG A 17 -6.322 -4.955 -8.037 1.00 0.00 C ATOM 530 O3' DG A 17 -5.927 -4.919 -9.411 1.00 0.00 O ATOM 531 C2' DG A 17 -5.232 -5.502 -7.180 1.00 0.00 C ATOM 532 C1' DG A 17 -4.537 -4.298 -6.613 1.00 0.00 C ATOM 533 N9 DG A 17 -3.998 -4.591 -5.284 1.00 0.00 N ATOM 534 C8 DG A 17 -4.620 -5.107 -4.209 1.00 0.00 C ATOM 535 N7 DG A 17 -3.912 -5.306 -3.145 1.00 0.00 N ATOM 536 C5 DG A 17 -2.647 -4.869 -3.562 1.00 0.00 C ATOM 537 C6 DG A 17 -1.412 -4.825 -2.858 1.00 0.00 C ATOM 538 O6 DG A 17 -1.182 -5.170 -1.700 1.00 0.00 O ATOM 539 N1 DG A 17 -0.388 -4.316 -3.652 1.00 0.00 N ATOM 540 C2 DG A 17 -0.531 -3.900 -4.960 1.00 0.00 C ATOM 541 N2 DG A 17 0.570 -3.442 -5.557 1.00 0.00 N ATOM 542 N3 DG A 17 -1.686 -3.936 -5.627 1.00 0.00 N ATOM 543 C4 DG A 17 -2.697 -4.429 -4.874 1.00 0.00 C ATOM 0 H5' DG A 17 -7.943 -2.437 -6.350 1.00 0.00 H new ATOM 0 H5'' DG A 17 -8.647 -3.179 -7.772 1.00 0.00 H new ATOM 0 H4' DG A 17 -6.459 -2.834 -8.406 1.00 0.00 H new ATOM 0 H3' DG A 17 -7.218 -5.572 -7.960 1.00 0.00 H new ATOM 0 H2' DG A 17 -5.633 -6.135 -6.388 1.00 0.00 H new ATOM 0 H2'' DG A 17 -4.544 -6.116 -7.761 1.00 0.00 H new ATOM 0 H1' DG A 17 -3.687 -4.013 -7.233 1.00 0.00 H new ATOM 0 H8 DG A 17 -5.673 -5.347 -4.233 1.00 0.00 H new ATOM 0 H1 DG A 17 0.540 -4.245 -3.235 1.00 0.00 H new ATOM 0 H21 DG A 17 0.529 -3.120 -6.524 1.00 0.00 H new ATOM 0 H22 DG A 17 1.453 -3.414 -5.047 1.00 0.00 H new ATOM 555 P DA A 18 -5.926 -6.245 -10.320 1.00 0.00 P ATOM 556 OP1 DA A 18 -7.117 -6.210 -11.197 1.00 0.00 O ATOM 557 OP2 DA A 18 -5.690 -7.411 -9.439 1.00 0.00 O ATOM 558 O5' DA A 18 -4.615 -6.027 -11.234 1.00 0.00 O ATOM 559 C5' DA A 18 -3.468 -5.333 -10.721 1.00 0.00 C ATOM 560 C4' DA A 18 -3.314 -3.947 -11.351 1.00 0.00 C ATOM 561 O4' DA A 18 -4.286 -3.012 -10.800 1.00 0.00 O ATOM 562 C3' DA A 18 -1.927 -3.371 -11.090 1.00 0.00 C ATOM 563 O3' DA A 18 -1.078 -3.614 -12.213 1.00 0.00 O ATOM 564 C2' DA A 18 -2.143 -1.908 -10.877 1.00 0.00 C ATOM 565 C1' DA A 18 -3.602 -1.764 -10.490 1.00 0.00 C ATOM 566 N9 DA A 18 -3.732 -1.453 -9.053 1.00 0.00 N ATOM 567 C8 DA A 18 -2.895 -1.740 -8.027 1.00 0.00 C ATOM 568 N7 DA A 18 -3.257 -1.383 -6.841 1.00 0.00 N ATOM 569 C5 DA A 18 -4.492 -0.780 -7.096 1.00 0.00 C ATOM 570 C6 DA A 18 -5.439 -0.174 -6.265 1.00 0.00 C ATOM 571 N6 DA A 18 -5.292 -0.083 -4.943 1.00 0.00 N ATOM 572 N1 DA A 18 -6.547 0.319 -6.844 1.00 0.00 N ATOM 573 C2 DA A 18 -6.719 0.222 -8.164 1.00 0.00 C ATOM 574 N3 DA A 18 -5.889 -0.332 -9.044 1.00 0.00 N ATOM 575 C4 DA A 18 -4.788 -0.817 -8.440 1.00 0.00 C ATOM 0 H5' DA A 18 -2.571 -5.921 -10.913 1.00 0.00 H new ATOM 0 H5'' DA A 18 -3.557 -5.233 -9.639 1.00 0.00 H new ATOM 0 H4' DA A 18 -3.472 -4.074 -12.422 1.00 0.00 H new ATOM 0 H3' DA A 18 -1.440 -3.827 -10.228 1.00 0.00 H new ATOM 0 H2' DA A 18 -1.490 -1.525 -10.093 1.00 0.00 H new ATOM 0 H2'' DA A 18 -1.920 -1.343 -11.782 1.00 0.00 H new ATOM 0 H1' DA A 18 -4.050 -0.943 -11.050 1.00 0.00 H new ATOM 0 H8 DA A 18 -1.958 -2.250 -8.196 1.00 0.00 H new ATOM 0 H61 DA A 18 -6.012 0.369 -4.380 1.00 0.00 H new ATOM 0 H62 DA A 18 -4.459 -0.466 -4.495 1.00 0.00 H new ATOM 0 H2 DA A 18 -7.632 0.639 -8.562 1.00 0.00 H new ATOM 587 P DG A 19 0.519 -3.470 -12.063 1.00 0.00 P ATOM 588 OP1 DG A 19 1.062 -2.980 -13.349 1.00 0.00 O ATOM 589 OP2 DG A 19 1.042 -4.720 -11.469 1.00 0.00 O ATOM 590 O5' DG A 19 0.667 -2.292 -10.970 1.00 0.00 O ATOM 591 C5' DG A 19 1.544 -1.185 -11.212 1.00 0.00 C ATOM 592 C4' DG A 19 2.630 -1.073 -10.144 1.00 0.00 C ATOM 593 O4' DG A 19 2.136 -0.381 -8.963 1.00 0.00 O ATOM 594 C3' DG A 19 3.136 -2.447 -9.704 1.00 0.00 C ATOM 595 O3' DG A 19 4.505 -2.588 -10.093 1.00 0.00 O ATOM 596 C2' DG A 19 3.002 -2.474 -8.210 1.00 0.00 C ATOM 597 C1' DG A 19 2.694 -1.052 -7.813 1.00 0.00 C ATOM 598 N9 DG A 19 1.779 -0.997 -6.662 1.00 0.00 N ATOM 599 C8 DG A 19 0.426 -0.906 -6.623 1.00 0.00 C ATOM 600 N7 DG A 19 -0.132 -0.820 -5.462 1.00 0.00 N ATOM 601 C5 DG A 19 0.977 -0.858 -4.609 1.00 0.00 C ATOM 602 C6 DG A 19 1.040 -0.803 -3.190 1.00 0.00 C ATOM 603 O6 DG A 19 0.115 -0.696 -2.390 1.00 0.00 O ATOM 604 N1 DG A 19 2.350 -0.874 -2.734 1.00 0.00 N ATOM 605 C2 DG A 19 3.466 -0.985 -3.538 1.00 0.00 C ATOM 606 N2 DG A 19 4.642 -1.047 -2.913 1.00 0.00 N ATOM 607 N3 DG A 19 3.415 -1.036 -4.871 1.00 0.00 N ATOM 608 C4 DG A 19 2.148 -0.968 -5.338 1.00 0.00 C ATOM 0 H5' DG A 19 0.965 -0.262 -11.238 1.00 0.00 H new ATOM 0 H5'' DG A 19 2.009 -1.298 -12.192 1.00 0.00 H new ATOM 0 H4' DG A 19 3.446 -0.510 -10.598 1.00 0.00 H new ATOM 0 H3' DG A 19 2.575 -3.263 -10.159 1.00 0.00 H new ATOM 0 H2' DG A 19 2.206 -3.151 -7.899 1.00 0.00 H new ATOM 0 H2'' DG A 19 3.921 -2.824 -7.739 1.00 0.00 H new ATOM 0 H1' DG A 19 3.609 -0.551 -7.497 1.00 0.00 H new ATOM 0 H8 DG A 19 -0.162 -0.906 -7.529 1.00 0.00 H new ATOM 0 H1 DG A 19 2.499 -0.842 -1.725 1.00 0.00 H new ATOM 0 H21 DG A 19 5.503 -1.130 -3.453 1.00 0.00 H new ATOM 0 H22 DG A 19 4.681 -1.012 -1.894 1.00 0.00 H new ATOM 620 P DG A 20 5.222 -4.026 -10.051 1.00 0.00 P ATOM 621 OP1 DG A 20 6.413 -3.978 -10.927 1.00 0.00 O ATOM 622 OP2 DG A 20 4.190 -5.067 -10.261 1.00 0.00 O ATOM 623 O5' DG A 20 5.722 -4.112 -8.521 1.00 0.00 O ATOM 624 C5' DG A 20 6.905 -3.424 -8.103 1.00 0.00 C ATOM 625 C4' DG A 20 7.430 -3.969 -6.775 1.00 0.00 C ATOM 626 O4' DG A 20 6.687 -3.404 -5.650 1.00 0.00 O ATOM 627 C3' DG A 20 7.278 -5.489 -6.721 1.00 0.00 C ATOM 628 O3' DG A 20 8.510 -6.068 -6.281 1.00 0.00 O ATOM 629 C2' DG A 20 6.200 -5.730 -5.715 1.00 0.00 C ATOM 630 C1' DG A 20 6.219 -4.507 -4.839 1.00 0.00 C ATOM 631 N9 DG A 20 4.888 -4.246 -4.278 1.00 0.00 N ATOM 632 C8 DG A 20 3.703 -4.134 -4.906 1.00 0.00 C ATOM 633 N7 DG A 20 2.656 -3.922 -4.180 1.00 0.00 N ATOM 634 C5 DG A 20 3.206 -3.889 -2.893 1.00 0.00 C ATOM 635 C6 DG A 20 2.576 -3.693 -1.634 1.00 0.00 C ATOM 636 O6 DG A 20 1.386 -3.504 -1.397 1.00 0.00 O ATOM 637 N1 DG A 20 3.498 -3.735 -0.592 1.00 0.00 N ATOM 638 C2 DG A 20 4.855 -3.940 -0.739 1.00 0.00 C ATOM 639 N2 DG A 20 5.575 -3.948 0.382 1.00 0.00 N ATOM 640 N3 DG A 20 5.453 -4.123 -1.920 1.00 0.00 N ATOM 641 C4 DG A 20 4.576 -4.087 -2.948 1.00 0.00 C ATOM 0 H5' DG A 20 6.692 -2.360 -8.002 1.00 0.00 H new ATOM 0 H5'' DG A 20 7.675 -3.524 -8.868 1.00 0.00 H new ATOM 0 H4' DG A 20 8.482 -3.691 -6.704 1.00 0.00 H new ATOM 0 H3' DG A 20 7.033 -5.927 -7.689 1.00 0.00 H new ATOM 0 H2' DG A 20 5.230 -5.858 -6.196 1.00 0.00 H new ATOM 0 H2'' DG A 20 6.391 -6.634 -5.138 1.00 0.00 H new ATOM 0 H1' DG A 20 6.886 -4.649 -3.988 1.00 0.00 H new ATOM 0 H8 DG A 20 3.630 -4.218 -5.980 1.00 0.00 H new ATOM 0 H1 DG A 20 3.143 -3.604 0.355 1.00 0.00 H new ATOM 0 H21 DG A 20 6.583 -4.095 0.339 1.00 0.00 H new ATOM 0 H22 DG A 20 5.118 -3.807 1.283 1.00 0.00 H new ATOM 653 P DA A 21 9.789 -6.137 -7.251 1.00 0.00 P ATOM 654 OP1 DA A 21 9.607 -5.144 -8.334 1.00 0.00 O ATOM 655 OP2 DA A 21 10.045 -7.556 -7.585 1.00 0.00 O ATOM 656 O5' DA A 21 10.973 -5.622 -6.285 1.00 0.00 O ATOM 657 C5' DA A 21 10.735 -5.427 -4.885 1.00 0.00 C ATOM 658 C4' DA A 21 11.346 -4.118 -4.385 1.00 0.00 C ATOM 659 O4' DA A 21 10.964 -3.007 -5.243 1.00 0.00 O ATOM 660 C3' DA A 21 10.888 -3.788 -2.971 1.00 0.00 C ATOM 661 O3' DA A 21 11.868 -4.231 -2.031 1.00 0.00 O ATOM 662 C2' DA A 21 10.738 -2.302 -2.947 1.00 0.00 C ATOM 663 C1' DA A 21 10.595 -1.883 -4.400 1.00 0.00 C ATOM 664 N9 DA A 21 9.214 -1.454 -4.703 1.00 0.00 N ATOM 665 C8 DA A 21 8.055 -1.709 -4.044 1.00 0.00 C ATOM 666 N7 DA A 21 6.971 -1.198 -4.525 1.00 0.00 N ATOM 667 C5 DA A 21 7.456 -0.519 -5.646 1.00 0.00 C ATOM 668 C6 DA A 21 6.829 0.254 -6.629 1.00 0.00 C ATOM 669 N6 DA A 21 5.521 0.497 -6.638 1.00 0.00 N ATOM 670 N1 DA A 21 7.604 0.774 -7.595 1.00 0.00 N ATOM 671 C2 DA A 21 8.920 0.552 -7.598 1.00 0.00 C ATOM 672 N3 DA A 21 9.615 -0.159 -6.717 1.00 0.00 N ATOM 673 C4 DA A 21 8.818 -0.671 -5.761 1.00 0.00 C ATOM 0 H5' DA A 21 11.155 -6.262 -4.325 1.00 0.00 H new ATOM 0 H5'' DA A 21 9.662 -5.424 -4.695 1.00 0.00 H new ATOM 0 H4' DA A 21 12.427 -4.257 -4.398 1.00 0.00 H new ATOM 0 H3' DA A 21 9.954 -4.281 -2.703 1.00 0.00 H new ATOM 0 H2' DA A 21 9.865 -2.005 -2.366 1.00 0.00 H new ATOM 0 H2'' DA A 21 11.604 -1.828 -2.486 1.00 0.00 H new ATOM 0 H1' DA A 21 11.251 -1.034 -4.591 1.00 0.00 H new ATOM 0 H8 DA A 21 8.040 -2.316 -3.151 1.00 0.00 H new ATOM 0 H61 DA A 21 5.113 1.068 -7.379 1.00 0.00 H new ATOM 0 H62 DA A 21 4.926 0.113 -5.904 1.00 0.00 H new ATOM 0 H2 DA A 21 9.481 0.999 -8.405 1.00 0.00 H new ATOM 685 P DG A 22 11.450 -4.537 -0.507 1.00 0.00 P ATOM 686 OP1 DG A 22 12.665 -4.448 0.334 1.00 0.00 O ATOM 687 OP2 DG A 22 10.630 -5.769 -0.490 1.00 0.00 O ATOM 688 O5' DG A 22 10.494 -3.290 -0.147 1.00 0.00 O ATOM 689 C5' DG A 22 11.026 -2.130 0.501 1.00 0.00 C ATOM 690 C4' DG A 22 10.166 -1.703 1.690 1.00 0.00 C ATOM 691 O4' DG A 22 9.011 -0.934 1.251 1.00 0.00 O ATOM 692 C3' DG A 22 9.653 -2.915 2.468 1.00 0.00 C ATOM 693 O3' DG A 22 10.279 -2.948 3.755 1.00 0.00 O ATOM 694 C2' DG A 22 8.169 -2.722 2.591 1.00 0.00 C ATOM 695 C1' DG A 22 7.892 -1.327 2.077 1.00 0.00 C ATOM 696 N9 DG A 22 6.630 -1.285 1.317 1.00 0.00 N ATOM 697 C8 DG A 22 6.424 -1.330 -0.022 1.00 0.00 C ATOM 698 N7 DG A 22 5.206 -1.260 -0.442 1.00 0.00 N ATOM 699 C5 DG A 22 4.495 -1.155 0.756 1.00 0.00 C ATOM 700 C6 DG A 22 3.095 -1.043 0.978 1.00 0.00 C ATOM 701 O6 DG A 22 2.191 -1.014 0.146 1.00 0.00 O ATOM 702 N1 DG A 22 2.799 -0.961 2.333 1.00 0.00 N ATOM 703 C2 DG A 22 3.729 -0.984 3.353 1.00 0.00 C ATOM 704 N2 DG A 22 3.247 -0.895 4.592 1.00 0.00 N ATOM 705 N3 DG A 22 5.047 -1.090 3.153 1.00 0.00 N ATOM 706 C4 DG A 22 5.361 -1.170 1.839 1.00 0.00 C ATOM 0 H5' DG A 22 11.090 -1.310 -0.215 1.00 0.00 H new ATOM 0 H5'' DG A 22 12.041 -2.336 0.841 1.00 0.00 H new ATOM 0 H4' DG A 22 10.802 -1.092 2.331 1.00 0.00 H new ATOM 0 H3' DG A 22 9.879 -3.859 1.972 1.00 0.00 H new ATOM 0 H2' DG A 22 7.628 -3.468 2.009 1.00 0.00 H new ATOM 0 H2'' DG A 22 7.845 -2.829 3.626 1.00 0.00 H new ATOM 0 H1' DG A 22 7.779 -0.633 2.910 1.00 0.00 H new ATOM 0 H8 DG A 22 7.250 -1.421 -0.712 1.00 0.00 H new ATOM 0 H1 DG A 22 1.817 -0.877 2.595 1.00 0.00 H new ATOM 0 H21 DG A 22 3.884 -0.906 5.389 1.00 0.00 H new ATOM 0 H22 DG A 22 2.241 -0.815 4.744 1.00 0.00 H new ATOM 718 P DG A 23 11.179 -4.208 4.200 1.00 0.00 P ATOM 719 OP1 DG A 23 12.230 -3.725 5.122 1.00 0.00 O ATOM 720 OP2 DG A 23 11.554 -4.960 2.982 1.00 0.00 O ATOM 721 O5' DG A 23 10.140 -5.103 5.044 1.00 0.00 O ATOM 722 C5' DG A 23 9.287 -4.499 6.022 1.00 0.00 C ATOM 723 C4' DG A 23 8.166 -5.446 6.460 1.00 0.00 C ATOM 724 O4' DG A 23 6.862 -4.865 6.165 1.00 0.00 O ATOM 725 C3' DG A 23 8.259 -6.790 5.734 1.00 0.00 C ATOM 726 O3' DG A 23 8.498 -7.827 6.692 1.00 0.00 O ATOM 727 C2' DG A 23 6.940 -6.981 5.049 1.00 0.00 C ATOM 728 C1' DG A 23 6.028 -5.907 5.605 1.00 0.00 C ATOM 729 N9 DG A 23 5.135 -5.364 4.561 1.00 0.00 N ATOM 730 C8 DG A 23 5.385 -5.100 3.256 1.00 0.00 C ATOM 731 N7 DG A 23 4.421 -4.620 2.546 1.00 0.00 N ATOM 732 C5 DG A 23 3.386 -4.549 3.482 1.00 0.00 C ATOM 733 C6 DG A 23 2.048 -4.099 3.325 1.00 0.00 C ATOM 734 O6 DG A 23 1.502 -3.668 2.312 1.00 0.00 O ATOM 735 N1 DG A 23 1.336 -4.194 4.515 1.00 0.00 N ATOM 736 C2 DG A 23 1.844 -4.661 5.711 1.00 0.00 C ATOM 737 N2 DG A 23 1.002 -4.675 6.744 1.00 0.00 N ATOM 738 N3 DG A 23 3.103 -5.086 5.867 1.00 0.00 N ATOM 739 C4 DG A 23 3.816 -5.003 4.720 1.00 0.00 C ATOM 0 H5' DG A 23 8.853 -3.587 5.612 1.00 0.00 H new ATOM 0 H5'' DG A 23 9.878 -4.209 6.891 1.00 0.00 H new ATOM 0 H4' DG A 23 8.279 -5.601 7.533 1.00 0.00 H new ATOM 0 H3' DG A 23 9.074 -6.818 5.011 1.00 0.00 H new ATOM 0 H2' DG A 23 7.043 -6.886 3.968 1.00 0.00 H new ATOM 0 H2'' DG A 23 6.538 -7.975 5.244 1.00 0.00 H new ATOM 0 H1' DG A 23 5.384 -6.332 6.375 1.00 0.00 H new ATOM 0 H8 DG A 23 6.358 -5.285 2.825 1.00 0.00 H new ATOM 0 H1 DG A 23 0.361 -3.895 4.504 1.00 0.00 H new ATOM 0 H21 DG A 23 1.318 -5.009 7.655 1.00 0.00 H new ATOM 0 H22 DG A 23 0.042 -4.352 6.624 1.00 0.00 H new ATOM 751 P DA A 24 9.006 -9.279 6.215 1.00 0.00 P ATOM 752 OP1 DA A 24 10.189 -9.645 7.026 1.00 0.00 O ATOM 753 OP2 DA A 24 9.096 -9.276 4.738 1.00 0.00 O ATOM 754 O5' DA A 24 7.785 -10.239 6.643 1.00 0.00 O ATOM 755 C5' DA A 24 6.756 -9.763 7.518 1.00 0.00 C ATOM 756 C4' DA A 24 5.381 -10.295 7.112 1.00 0.00 C ATOM 757 O4' DA A 24 4.668 -9.306 6.325 1.00 0.00 O ATOM 758 C3' DA A 24 5.506 -11.562 6.274 1.00 0.00 C ATOM 759 O3' DA A 24 5.117 -12.714 7.030 1.00 0.00 O ATOM 760 C2' DA A 24 4.598 -11.361 5.101 1.00 0.00 C ATOM 761 C1' DA A 24 3.939 -10.009 5.295 1.00 0.00 C ATOM 762 N9 DA A 24 3.949 -9.239 4.042 1.00 0.00 N ATOM 763 C8 DA A 24 4.934 -9.110 3.130 1.00 0.00 C ATOM 764 N7 DA A 24 4.706 -8.362 2.103 1.00 0.00 N ATOM 765 C5 DA A 24 3.399 -7.932 2.356 1.00 0.00 C ATOM 766 C6 DA A 24 2.523 -7.096 1.655 1.00 0.00 C ATOM 767 N6 DA A 24 2.840 -6.512 0.499 1.00 0.00 N ATOM 768 N1 DA A 24 1.307 -6.887 2.190 1.00 0.00 N ATOM 769 C2 DA A 24 0.969 -7.462 3.347 1.00 0.00 C ATOM 770 N3 DA A 24 1.720 -8.268 4.092 1.00 0.00 N ATOM 771 C4 DA A 24 2.931 -8.463 3.536 1.00 0.00 C ATOM 0 H5' DA A 24 6.743 -8.673 7.506 1.00 0.00 H new ATOM 0 H5'' DA A 24 6.977 -10.068 8.541 1.00 0.00 H new ATOM 0 H4' DA A 24 4.837 -10.515 8.030 1.00 0.00 H new ATOM 0 H3' DA A 24 6.535 -11.734 5.959 1.00 0.00 H new ATOM 0 H2' DA A 24 5.159 -11.389 4.167 1.00 0.00 H new ATOM 0 H2'' DA A 24 3.851 -12.153 5.048 1.00 0.00 H new ATOM 0 HO3' DA A 24 5.203 -13.515 6.473 1.00 0.00 H new ATOM 0 H1' DA A 24 2.898 -10.140 5.589 1.00 0.00 H new ATOM 0 H8 DA A 24 5.881 -9.615 3.255 1.00 0.00 H new ATOM 0 H61 DA A 24 2.163 -5.911 0.029 1.00 0.00 H new ATOM 0 H62 DA A 24 3.759 -6.666 0.085 1.00 0.00 H new ATOM 0 H2 DA A 24 -0.023 -7.249 3.718 1.00 0.00 H new TER 784 DA A 24