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= -0.153 USER MOD Single : A 24 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 10.135 2.482 5.969 1.00 0.00 O ATOM 2 C5' DG A 1 9.213 1.648 5.263 1.00 0.00 C ATOM 3 C4' DG A 1 9.177 1.985 3.773 1.00 0.00 C ATOM 4 O4' DG A 1 7.982 1.425 3.147 1.00 0.00 O ATOM 5 C3' DG A 1 9.153 3.496 3.551 1.00 0.00 C ATOM 6 O3' DG A 1 10.203 3.843 2.645 1.00 0.00 O ATOM 7 C2' DG A 1 7.817 3.796 2.959 1.00 0.00 C ATOM 8 C1' DG A 1 7.336 2.486 2.398 1.00 0.00 C ATOM 9 N9 DG A 1 5.874 2.394 2.483 1.00 0.00 N ATOM 10 C8 DG A 1 5.060 2.647 3.527 1.00 0.00 C ATOM 11 N7 DG A 1 3.789 2.514 3.344 1.00 0.00 N ATOM 12 C5 DG A 1 3.738 2.123 2.000 1.00 0.00 C ATOM 13 C6 DG A 1 2.619 1.819 1.179 1.00 0.00 C ATOM 14 O6 DG A 1 1.428 1.831 1.479 1.00 0.00 O ATOM 15 N1 DG A 1 3.012 1.474 -0.108 1.00 0.00 N ATOM 16 C2 DG A 1 4.316 1.426 -0.557 1.00 0.00 C ATOM 17 N2 DG A 1 4.488 1.082 -1.832 1.00 0.00 N ATOM 18 N3 DG A 1 5.373 1.708 0.210 1.00 0.00 N ATOM 19 C4 DG A 1 5.015 2.047 1.468 1.00 0.00 C ATOM 0 H5' DG A 1 8.216 1.766 5.688 1.00 0.00 H new ATOM 0 H5'' DG A 1 9.493 0.603 5.394 1.00 0.00 H new ATOM 0 H4' DG A 1 10.076 1.558 3.328 1.00 0.00 H new ATOM 0 H3' DG A 1 9.304 4.062 4.470 1.00 0.00 H new ATOM 0 H2' DG A 1 7.129 4.179 3.712 1.00 0.00 H new ATOM 0 H2'' DG A 1 7.892 4.555 2.180 1.00 0.00 H new ATOM 0 HO5' DG A 1 10.132 2.242 6.919 1.00 0.00 H new ATOM 0 H1' DG A 1 7.594 2.400 1.342 1.00 0.00 H new ATOM 0 H8 DG A 1 5.458 2.951 4.484 1.00 0.00 H new ATOM 0 H1 DG A 1 2.277 1.237 -0.775 1.00 0.00 H new ATOM 0 H21 DG A 1 5.428 1.029 -2.223 1.00 0.00 H new ATOM 0 H22 DG A 1 3.679 0.872 -2.417 1.00 0.00 H new ATOM 32 P DG A 2 10.642 5.375 2.427 1.00 0.00 P ATOM 33 OP1 DG A 2 12.095 5.485 2.688 1.00 0.00 O ATOM 34 OP2 DG A 2 9.691 6.241 3.159 1.00 0.00 O ATOM 35 O5' DG A 2 10.393 5.567 0.848 1.00 0.00 O ATOM 36 C5' DG A 2 10.582 4.464 -0.047 1.00 0.00 C ATOM 37 C4' DG A 2 9.843 4.665 -1.370 1.00 0.00 C ATOM 38 O4' DG A 2 8.426 4.357 -1.219 1.00 0.00 O ATOM 39 C3' DG A 2 9.961 6.107 -1.861 1.00 0.00 C ATOM 40 O3' DG A 2 10.592 6.099 -3.146 1.00 0.00 O ATOM 41 C2' DG A 2 8.559 6.628 -1.953 1.00 0.00 C ATOM 42 C1' DG A 2 7.671 5.412 -1.859 1.00 0.00 C ATOM 43 N9 DG A 2 6.445 5.719 -1.107 1.00 0.00 N ATOM 44 C8 DG A 2 6.295 6.081 0.187 1.00 0.00 C ATOM 45 N7 DG A 2 5.093 6.295 0.613 1.00 0.00 N ATOM 46 C5 DG A 2 4.336 6.049 -0.538 1.00 0.00 C ATOM 47 C6 DG A 2 2.930 6.112 -0.738 1.00 0.00 C ATOM 48 O6 DG A 2 2.057 6.404 0.076 1.00 0.00 O ATOM 49 N1 DG A 2 2.585 5.789 -2.046 1.00 0.00 N ATOM 50 C2 DG A 2 3.478 5.447 -3.041 1.00 0.00 C ATOM 51 N2 DG A 2 2.953 5.176 -4.236 1.00 0.00 N ATOM 52 N3 DG A 2 4.800 5.384 -2.861 1.00 0.00 N ATOM 53 C4 DG A 2 5.159 5.694 -1.595 1.00 0.00 C ATOM 0 H5' DG A 2 10.231 3.548 0.428 1.00 0.00 H new ATOM 0 H5'' DG A 2 11.646 4.335 -0.243 1.00 0.00 H new ATOM 0 H4' DG A 2 10.303 3.993 -2.094 1.00 0.00 H new ATOM 0 H3' DG A 2 10.557 6.734 -1.197 1.00 0.00 H new ATOM 0 H2' DG A 2 8.348 7.331 -1.148 1.00 0.00 H new ATOM 0 H2'' DG A 2 8.399 7.160 -2.891 1.00 0.00 H new ATOM 0 H1' DG A 2 7.362 5.093 -2.854 1.00 0.00 H new ATOM 0 H8 DG A 2 7.148 6.188 0.841 1.00 0.00 H new ATOM 0 H1 DG A 2 1.594 5.806 -2.289 1.00 0.00 H new ATOM 0 H21 DG A 2 3.561 4.917 -5.013 1.00 0.00 H new ATOM 0 H22 DG A 2 1.944 5.228 -4.373 1.00 0.00 H new ATOM 65 P DA A 3 11.167 7.451 -3.802 1.00 0.00 P ATOM 66 OP1 DA A 3 12.640 7.444 -3.663 1.00 0.00 O ATOM 67 OP2 DA A 3 10.380 8.591 -3.279 1.00 0.00 O ATOM 68 O5' DA A 3 10.803 7.258 -5.361 1.00 0.00 O ATOM 69 C5' DA A 3 9.557 6.669 -5.756 1.00 0.00 C ATOM 70 C4' DA A 3 9.764 5.373 -6.538 1.00 0.00 C ATOM 71 O4' DA A 3 10.232 4.312 -5.657 1.00 0.00 O ATOM 72 C3' DA A 3 8.464 4.904 -7.177 1.00 0.00 C ATOM 73 O3' DA A 3 8.424 5.310 -8.549 1.00 0.00 O ATOM 74 C2' DA A 3 8.479 3.418 -7.048 1.00 0.00 C ATOM 75 C1' DA A 3 9.452 3.114 -5.923 1.00 0.00 C ATOM 76 N9 DA A 3 8.737 2.692 -4.698 1.00 0.00 N ATOM 77 C8 DA A 3 7.460 2.937 -4.305 1.00 0.00 C ATOM 78 N7 DA A 3 7.090 2.482 -3.157 1.00 0.00 N ATOM 79 C5 DA A 3 8.257 1.851 -2.716 1.00 0.00 C ATOM 80 C6 DA A 3 8.567 1.150 -1.548 1.00 0.00 C ATOM 81 N6 DA A 3 7.694 0.964 -0.558 1.00 0.00 N ATOM 82 N1 DA A 3 9.812 0.656 -1.434 1.00 0.00 N ATOM 83 C2 DA A 3 10.703 0.839 -2.410 1.00 0.00 C ATOM 84 N3 DA A 3 10.517 1.488 -3.557 1.00 0.00 N ATOM 85 C4 DA A 3 9.262 1.973 -3.648 1.00 0.00 C ATOM 0 H5' DA A 3 8.998 7.377 -6.368 1.00 0.00 H new ATOM 0 H5'' DA A 3 8.954 6.467 -4.871 1.00 0.00 H new ATOM 0 H4' DA A 3 10.504 5.582 -7.310 1.00 0.00 H new ATOM 0 H3' DA A 3 7.582 5.331 -6.700 1.00 0.00 H new ATOM 0 H2' DA A 3 7.484 3.035 -6.820 1.00 0.00 H new ATOM 0 H2'' DA A 3 8.797 2.947 -7.978 1.00 0.00 H new ATOM 0 H1' DA A 3 10.104 2.294 -6.222 1.00 0.00 H new ATOM 0 H8 DA A 3 6.779 3.493 -4.932 1.00 0.00 H new ATOM 0 H61 DA A 3 7.971 0.444 0.275 1.00 0.00 H new ATOM 0 H62 DA A 3 6.749 1.342 -0.633 1.00 0.00 H new ATOM 0 H2 DA A 3 11.683 0.414 -2.252 1.00 0.00 H new ATOM 97 P DG A 4 7.013 5.512 -9.299 1.00 0.00 P ATOM 98 OP1 DG A 4 7.230 5.327 -10.751 1.00 0.00 O ATOM 99 OP2 DG A 4 6.397 6.762 -8.799 1.00 0.00 O ATOM 100 O5' DG A 4 6.140 4.269 -8.757 1.00 0.00 O ATOM 101 C5' DG A 4 5.623 3.289 -9.666 1.00 0.00 C ATOM 102 C4' DG A 4 4.102 3.169 -9.564 1.00 0.00 C ATOM 103 O4' DG A 4 3.723 2.339 -8.430 1.00 0.00 O ATOM 104 C3' DG A 4 3.445 4.537 -9.382 1.00 0.00 C ATOM 105 O3' DG A 4 2.612 4.812 -10.512 1.00 0.00 O ATOM 106 C2' DG A 4 2.633 4.445 -8.130 1.00 0.00 C ATOM 107 C1' DG A 4 2.607 2.982 -7.769 1.00 0.00 C ATOM 108 N9 DG A 4 2.676 2.797 -6.309 1.00 0.00 N ATOM 109 C8 DG A 4 3.755 2.615 -5.508 1.00 0.00 C ATOM 110 N7 DG A 4 3.543 2.467 -4.243 1.00 0.00 N ATOM 111 C5 DG A 4 2.149 2.558 -4.175 1.00 0.00 C ATOM 112 C6 DG A 4 1.286 2.475 -3.051 1.00 0.00 C ATOM 113 O6 DG A 4 1.582 2.304 -1.873 1.00 0.00 O ATOM 114 N1 DG A 4 -0.046 2.619 -3.418 1.00 0.00 N ATOM 115 C2 DG A 4 -0.497 2.820 -4.705 1.00 0.00 C ATOM 116 N2 DG A 4 -1.815 2.946 -4.852 1.00 0.00 N ATOM 117 N3 DG A 4 0.308 2.900 -5.770 1.00 0.00 N ATOM 118 C4 DG A 4 1.611 2.761 -5.437 1.00 0.00 C ATOM 0 H5' DG A 4 6.079 2.322 -9.456 1.00 0.00 H new ATOM 0 H5'' DG A 4 5.899 3.557 -10.686 1.00 0.00 H new ATOM 0 H4' DG A 4 3.761 2.717 -10.495 1.00 0.00 H new ATOM 0 H3' DG A 4 4.177 5.341 -9.307 1.00 0.00 H new ATOM 0 H2' DG A 4 3.077 5.038 -7.331 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.625 4.828 -8.288 1.00 0.00 H new ATOM 0 H1' DG A 4 1.671 2.532 -8.100 1.00 0.00 H new ATOM 0 H8 DG A 4 4.756 2.595 -5.914 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.745 2.572 -2.677 1.00 0.00 H new ATOM 0 H21 DG A 4 -2.213 3.097 -5.779 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.426 2.892 -4.037 1.00 0.00 H new ATOM 130 P DG A 5 2.043 6.296 -10.763 1.00 0.00 P ATOM 131 OP1 DG A 5 2.015 6.542 -12.222 1.00 0.00 O ATOM 132 OP2 DG A 5 2.766 7.229 -9.870 1.00 0.00 O ATOM 133 O5' DG A 5 0.524 6.171 -10.242 1.00 0.00 O ATOM 134 C5' DG A 5 -0.235 4.988 -10.513 1.00 0.00 C ATOM 135 C4' DG A 5 -1.561 4.974 -9.751 1.00 0.00 C ATOM 136 O4' DG A 5 -1.367 4.547 -8.375 1.00 0.00 O ATOM 137 C3' DG A 5 -2.200 6.360 -9.725 1.00 0.00 C ATOM 138 O3' DG A 5 -3.435 6.310 -10.447 1.00 0.00 O ATOM 139 C2' DG A 5 -2.427 6.689 -8.286 1.00 0.00 C ATOM 140 C1' DG A 5 -2.162 5.413 -7.530 1.00 0.00 C ATOM 141 N9 DG A 5 -1.454 5.703 -6.284 1.00 0.00 N ATOM 142 C8 DG A 5 -0.166 6.051 -6.101 1.00 0.00 C ATOM 143 N7 DG A 5 0.233 6.247 -4.886 1.00 0.00 N ATOM 144 C5 DG A 5 -0.941 6.001 -4.161 1.00 0.00 C ATOM 145 C6 DG A 5 -1.180 6.047 -2.760 1.00 0.00 C ATOM 146 O6 DG A 5 -0.389 6.320 -1.860 1.00 0.00 O ATOM 147 N1 DG A 5 -2.502 5.732 -2.458 1.00 0.00 N ATOM 148 C2 DG A 5 -3.474 5.414 -3.381 1.00 0.00 C ATOM 149 N2 DG A 5 -4.687 5.158 -2.894 1.00 0.00 N ATOM 150 N3 DG A 5 -3.258 5.366 -4.698 1.00 0.00 N ATOM 151 C4 DG A 5 -1.979 5.668 -5.017 1.00 0.00 C ATOM 0 H5' DG A 5 0.350 4.110 -10.239 1.00 0.00 H new ATOM 0 H5'' DG A 5 -0.431 4.919 -11.583 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.214 4.274 -10.273 1.00 0.00 H new ATOM 0 H3' DG A 5 -1.573 7.120 -10.190 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.760 7.485 -7.956 1.00 0.00 H new ATOM 0 H2'' DG A 5 -3.446 7.038 -8.120 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.102 4.923 -7.274 1.00 0.00 H new ATOM 0 H8 DG A 5 0.509 6.162 -6.937 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.773 5.737 -1.475 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.450 4.916 -3.526 1.00 0.00 H new ATOM 0 H22 DG A 5 -4.853 5.204 -1.889 1.00 0.00 H new ATOM 163 P DA A 6 -4.201 7.654 -10.887 1.00 0.00 P ATOM 164 OP1 DA A 6 -3.886 7.925 -12.309 1.00 0.00 O ATOM 165 OP2 DA A 6 -3.945 8.691 -9.864 1.00 0.00 O ATOM 166 O5' DA A 6 -5.751 7.214 -10.787 1.00 0.00 O ATOM 167 C5' DA A 6 -6.315 6.784 -9.540 1.00 0.00 C ATOM 168 C4' DA A 6 -7.065 5.459 -9.683 1.00 0.00 C ATOM 169 O4' DA A 6 -6.211 4.434 -10.270 1.00 0.00 O ATOM 170 C3' DA A 6 -7.538 4.940 -8.331 1.00 0.00 C ATOM 171 O3' DA A 6 -8.899 5.309 -8.111 1.00 0.00 O ATOM 172 C2' DA A 6 -7.382 3.459 -8.404 1.00 0.00 C ATOM 173 C1' DA A 6 -6.359 3.210 -9.496 1.00 0.00 C ATOM 174 N9 DA A 6 -5.052 2.807 -8.926 1.00 0.00 N ATOM 175 C8 DA A 6 -4.578 2.927 -7.658 1.00 0.00 C ATOM 176 N7 DA A 6 -3.376 2.518 -7.429 1.00 0.00 N ATOM 177 C5 DA A 6 -2.986 2.067 -8.691 1.00 0.00 C ATOM 178 C6 DA A 6 -1.801 1.499 -9.165 1.00 0.00 C ATOM 179 N6 DA A 6 -0.738 1.285 -8.390 1.00 0.00 N ATOM 180 N1 DA A 6 -1.749 1.169 -10.467 1.00 0.00 N ATOM 181 C2 DA A 6 -2.801 1.384 -11.259 1.00 0.00 C ATOM 182 N3 DA A 6 -3.972 1.915 -10.916 1.00 0.00 N ATOM 183 C4 DA A 6 -3.999 2.238 -9.607 1.00 0.00 C ATOM 0 H5' DA A 6 -6.996 7.549 -9.166 1.00 0.00 H new ATOM 0 H5'' DA A 6 -5.522 6.675 -8.801 1.00 0.00 H new ATOM 0 H4' DA A 6 -7.920 5.657 -10.329 1.00 0.00 H new ATOM 0 H3' DA A 6 -6.967 5.358 -7.502 1.00 0.00 H new ATOM 0 H2' DA A 6 -7.044 3.053 -7.451 1.00 0.00 H new ATOM 0 H2'' DA A 6 -8.331 2.976 -8.638 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.703 2.395 -10.133 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.185 3.349 -6.871 1.00 0.00 H new ATOM 0 H61 DA A 6 0.105 0.867 -8.784 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.767 1.539 -7.403 1.00 0.00 H new ATOM 0 H2 DA A 6 -2.690 1.095 -12.294 1.00 0.00 H new ATOM 195 P DG A 7 -9.526 5.196 -6.632 1.00 0.00 P ATOM 196 OP1 DG A 7 -10.933 4.753 -6.758 1.00 0.00 O ATOM 197 OP2 DG A 7 -9.205 6.439 -5.898 1.00 0.00 O ATOM 198 O5' DG A 7 -8.672 3.990 -5.984 1.00 0.00 O ATOM 199 C5' DG A 7 -9.311 2.764 -5.614 1.00 0.00 C ATOM 200 C4' DG A 7 -9.171 2.480 -4.118 1.00 0.00 C ATOM 201 O4' DG A 7 -7.887 1.867 -3.816 1.00 0.00 O ATOM 202 C3' DG A 7 -9.283 3.763 -3.295 1.00 0.00 C ATOM 203 O3' DG A 7 -10.478 3.717 -2.512 1.00 0.00 O ATOM 204 C2' DG A 7 -8.063 3.797 -2.421 1.00 0.00 C ATOM 205 C1' DG A 7 -7.416 2.440 -2.576 1.00 0.00 C ATOM 206 N9 DG A 7 -5.947 2.555 -2.566 1.00 0.00 N ATOM 207 C8 DG A 7 -5.072 2.578 -3.601 1.00 0.00 C ATOM 208 N7 DG A 7 -3.816 2.673 -3.318 1.00 0.00 N ATOM 209 C5 DG A 7 -3.840 2.723 -1.921 1.00 0.00 C ATOM 210 C6 DG A 7 -2.768 2.831 -0.994 1.00 0.00 C ATOM 211 O6 DG A 7 -1.563 2.905 -1.227 1.00 0.00 O ATOM 212 N1 DG A 7 -3.229 2.849 0.318 1.00 0.00 N ATOM 213 C2 DG A 7 -4.554 2.772 0.696 1.00 0.00 C ATOM 214 N2 DG A 7 -4.796 2.812 2.005 1.00 0.00 N ATOM 215 N3 DG A 7 -5.567 2.670 -0.170 1.00 0.00 N ATOM 216 C4 DG A 7 -5.142 2.651 -1.453 1.00 0.00 C ATOM 0 H5' DG A 7 -8.877 1.942 -6.182 1.00 0.00 H new ATOM 0 H5'' DG A 7 -10.368 2.811 -5.878 1.00 0.00 H new ATOM 0 H4' DG A 7 -9.981 1.799 -3.856 1.00 0.00 H new ATOM 0 H3' DG A 7 -9.336 4.656 -3.917 1.00 0.00 H new ATOM 0 H2' DG A 7 -7.384 4.593 -2.727 1.00 0.00 H new ATOM 0 H2'' DG A 7 -8.330 3.988 -1.382 1.00 0.00 H new ATOM 0 H1' DG A 7 -7.687 1.794 -1.741 1.00 0.00 H new ATOM 0 H8 DG A 7 -5.413 2.519 -4.624 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.533 2.925 1.059 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.755 2.759 2.348 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.022 2.895 2.664 1.00 0.00 H new ATOM 228 P DG A 8 -11.042 5.047 -1.807 1.00 0.00 P ATOM 229 OP1 DG A 8 -12.507 4.905 -1.653 1.00 0.00 O ATOM 230 OP2 DG A 8 -10.482 6.221 -2.513 1.00 0.00 O ATOM 231 O5' DG A 8 -10.370 4.969 -0.347 1.00 0.00 O ATOM 232 C5' DG A 8 -10.520 3.794 0.455 1.00 0.00 C ATOM 233 C4' DG A 8 -10.006 4.014 1.877 1.00 0.00 C ATOM 234 O4' DG A 8 -8.554 3.885 1.933 1.00 0.00 O ATOM 235 C3' DG A 8 -10.373 5.409 2.380 1.00 0.00 C ATOM 236 O3' DG A 8 -11.059 5.270 3.627 1.00 0.00 O ATOM 237 C2' DG A 8 -9.075 6.128 2.553 1.00 0.00 C ATOM 238 C1' DG A 8 -8.034 5.045 2.629 1.00 0.00 C ATOM 239 N9 DG A 8 -6.776 5.500 2.033 1.00 0.00 N ATOM 240 C8 DG A 8 -6.566 6.061 0.829 1.00 0.00 C ATOM 241 N7 DG A 8 -5.353 6.388 0.522 1.00 0.00 N ATOM 242 C5 DG A 8 -4.657 5.997 1.675 1.00 0.00 C ATOM 243 C6 DG A 8 -3.272 6.086 1.983 1.00 0.00 C ATOM 244 O6 DG A 8 -2.363 6.533 1.287 1.00 0.00 O ATOM 245 N1 DG A 8 -2.998 5.580 3.251 1.00 0.00 N ATOM 246 C2 DG A 8 -3.936 5.055 4.115 1.00 0.00 C ATOM 247 N2 DG A 8 -3.477 4.633 5.294 1.00 0.00 N ATOM 248 N3 DG A 8 -5.237 4.965 3.833 1.00 0.00 N ATOM 249 C4 DG A 8 -5.528 5.452 2.605 1.00 0.00 C ATOM 0 H5' DG A 8 -9.978 2.968 -0.005 1.00 0.00 H new ATOM 0 H5'' DG A 8 -11.571 3.507 0.488 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.473 3.255 2.505 1.00 0.00 H new ATOM 0 H3' DG A 8 -11.024 5.956 1.699 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.883 6.801 1.718 1.00 0.00 H new ATOM 0 H2'' DG A 8 -9.078 6.736 3.458 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.822 4.790 3.667 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.382 6.232 0.142 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.028 5.599 3.565 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.120 4.234 5.978 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.483 4.709 5.511 1.00 0.00 H new ATOM 261 P DA A 9 -11.869 6.495 4.278 1.00 0.00 P ATOM 262 OP1 DA A 9 -13.316 6.266 4.059 1.00 0.00 O ATOM 263 OP2 DA A 9 -11.244 7.758 3.828 1.00 0.00 O ATOM 264 O5' DA A 9 -11.558 6.305 5.849 1.00 0.00 O ATOM 265 C5' DA A 9 -10.274 5.841 6.288 1.00 0.00 C ATOM 266 C4' DA A 9 -10.360 4.461 6.941 1.00 0.00 C ATOM 267 O4' DA A 9 -10.810 3.455 5.988 1.00 0.00 O ATOM 268 C3' DA A 9 -9.002 4.014 7.460 1.00 0.00 C ATOM 269 O3' DA A 9 -8.877 4.331 8.847 1.00 0.00 O ATOM 270 C2' DA A 9 -8.953 2.543 7.226 1.00 0.00 C ATOM 271 C1' DA A 9 -9.982 2.269 6.149 1.00 0.00 C ATOM 272 N9 DA A 9 -9.318 1.921 4.877 1.00 0.00 N ATOM 273 C8 DA A 9 -8.113 2.313 4.400 1.00 0.00 C ATOM 274 N7 DA A 9 -7.762 1.884 3.236 1.00 0.00 N ATOM 275 C5 DA A 9 -8.864 1.103 2.880 1.00 0.00 C ATOM 276 C6 DA A 9 -9.157 0.344 1.745 1.00 0.00 C ATOM 277 N6 DA A 9 -8.329 0.246 0.704 1.00 0.00 N ATOM 278 N1 DA A 9 -10.333 -0.305 1.718 1.00 0.00 N ATOM 279 C2 DA A 9 -11.177 -0.213 2.748 1.00 0.00 C ATOM 280 N3 DA A 9 -11.004 0.479 3.872 1.00 0.00 N ATOM 281 C4 DA A 9 -9.816 1.118 3.874 1.00 0.00 C ATOM 0 H5' DA A 9 -9.854 6.553 6.998 1.00 0.00 H new ATOM 0 H5'' DA A 9 -9.593 5.799 5.438 1.00 0.00 H new ATOM 0 H4' DA A 9 -11.071 4.552 7.762 1.00 0.00 H new ATOM 0 H3' DA A 9 -8.177 4.517 6.955 1.00 0.00 H new ATOM 0 H2' DA A 9 -7.959 2.229 6.908 1.00 0.00 H new ATOM 0 H2'' DA A 9 -9.184 1.993 8.138 1.00 0.00 H new ATOM 0 H1' DA A 9 -10.605 1.423 6.439 1.00 0.00 H new ATOM 0 H8 DA A 9 -7.469 2.962 4.974 1.00 0.00 H new ATOM 0 H61 DA A 9 -8.589 -0.322 -0.103 1.00 0.00 H new ATOM 0 H62 DA A 9 -7.436 0.739 0.715 1.00 0.00 H new ATOM 0 H2 DA A 9 -12.103 -0.761 2.660 1.00 0.00 H new ATOM 293 P DG A 10 -7.421 4.391 9.530 1.00 0.00 P ATOM 294 OP1 DG A 10 -7.556 3.983 10.946 1.00 0.00 O ATOM 295 OP2 DG A 10 -6.805 5.692 9.192 1.00 0.00 O ATOM 296 O5' DG A 10 -6.619 3.233 8.745 1.00 0.00 O ATOM 297 C5' DG A 10 -6.312 1.997 9.396 1.00 0.00 C ATOM 298 C4' DG A 10 -4.815 1.692 9.363 1.00 0.00 C ATOM 299 O4' DG A 10 -4.424 1.087 8.102 1.00 0.00 O ATOM 300 C3' DG A 10 -3.981 2.958 9.554 1.00 0.00 C ATOM 301 O3' DG A 10 -3.334 2.892 10.823 1.00 0.00 O ATOM 302 C2' DG A 10 -2.987 2.968 8.429 1.00 0.00 C ATOM 303 C1' DG A 10 -3.130 1.626 7.746 1.00 0.00 C ATOM 304 N9 DG A 10 -3.011 1.763 6.283 1.00 0.00 N ATOM 305 C8 DG A 10 -3.977 1.971 5.355 1.00 0.00 C ATOM 306 N7 DG A 10 -3.611 2.052 4.120 1.00 0.00 N ATOM 307 C5 DG A 10 -2.228 1.876 4.219 1.00 0.00 C ATOM 308 C6 DG A 10 -1.238 1.858 3.201 1.00 0.00 C ATOM 309 O6 DG A 10 -1.389 1.999 1.989 1.00 0.00 O ATOM 310 N1 DG A 10 0.030 1.653 3.727 1.00 0.00 N ATOM 311 C2 DG A 10 0.316 1.483 5.067 1.00 0.00 C ATOM 312 N2 DG A 10 1.600 1.293 5.373 1.00 0.00 N ATOM 313 N3 DG A 10 -0.608 1.498 6.031 1.00 0.00 N ATOM 314 C4 DG A 10 -1.852 1.697 5.542 1.00 0.00 C ATOM 0 H5' DG A 10 -6.858 1.187 8.913 1.00 0.00 H new ATOM 0 H5'' DG A 10 -6.651 2.038 10.431 1.00 0.00 H new ATOM 0 H4' DG A 10 -4.628 0.998 10.182 1.00 0.00 H new ATOM 0 H3' DG A 10 -4.579 3.869 9.538 1.00 0.00 H new ATOM 0 H2' DG A 10 -3.189 3.784 7.735 1.00 0.00 H new ATOM 0 H2'' DG A 10 -1.973 3.111 8.803 1.00 0.00 H new ATOM 0 H1' DG A 10 -2.335 0.955 8.072 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.015 2.065 5.639 1.00 0.00 H new ATOM 0 H1 DG A 10 0.812 1.626 3.072 1.00 0.00 H new ATOM 0 H21 DG A 10 1.878 1.161 6.345 1.00 0.00 H new ATOM 0 H22 DG A 10 2.304 1.280 4.635 1.00 0.00 H new ATOM 326 P DG A 11 -2.880 4.233 11.581 1.00 0.00 P ATOM 327 OP1 DG A 11 -3.840 4.497 12.676 1.00 0.00 O ATOM 328 OP2 DG A 11 -2.611 5.276 10.565 1.00 0.00 O ATOM 329 O5' DG A 11 -1.482 3.787 12.232 1.00 0.00 O ATOM 330 C5' DG A 11 -0.788 2.632 11.743 1.00 0.00 C ATOM 331 C4' DG A 11 0.563 3.003 11.167 1.00 0.00 C ATOM 332 O4' DG A 11 0.473 3.222 9.740 1.00 0.00 O ATOM 333 C3' DG A 11 1.085 4.268 11.818 1.00 0.00 C ATOM 334 O3' DG A 11 2.271 3.948 12.550 1.00 0.00 O ATOM 335 C2' DG A 11 1.358 5.197 10.686 1.00 0.00 C ATOM 336 C1' DG A 11 1.321 4.342 9.449 1.00 0.00 C ATOM 337 N9 DG A 11 0.814 5.101 8.306 1.00 0.00 N ATOM 338 C8 DG A 11 -0.375 5.714 8.169 1.00 0.00 C ATOM 339 N7 DG A 11 -0.609 6.331 7.058 1.00 0.00 N ATOM 340 C5 DG A 11 0.582 6.105 6.355 1.00 0.00 C ATOM 341 C6 DG A 11 0.969 6.525 5.052 1.00 0.00 C ATOM 342 O6 DG A 11 0.327 7.193 4.244 1.00 0.00 O ATOM 343 N1 DG A 11 2.248 6.082 4.734 1.00 0.00 N ATOM 344 C2 DG A 11 3.058 5.329 5.560 1.00 0.00 C ATOM 345 N2 DG A 11 4.255 5.005 5.076 1.00 0.00 N ATOM 346 N3 DG A 11 2.701 4.932 6.786 1.00 0.00 N ATOM 347 C4 DG A 11 1.459 5.350 7.118 1.00 0.00 C ATOM 0 H5' DG A 11 -1.389 2.141 10.978 1.00 0.00 H new ATOM 0 H5'' DG A 11 -0.656 1.915 12.553 1.00 0.00 H new ATOM 0 H4' DG A 11 1.244 2.175 11.364 1.00 0.00 H new ATOM 0 H3' DG A 11 0.389 4.721 12.524 1.00 0.00 H new ATOM 0 H2' DG A 11 0.610 5.989 10.639 1.00 0.00 H new ATOM 0 H2'' DG A 11 2.328 5.681 10.800 1.00 0.00 H new ATOM 0 H1' DG A 11 2.323 4.006 9.182 1.00 0.00 H new ATOM 0 H8 DG A 11 -1.109 5.691 8.961 1.00 0.00 H new ATOM 0 H1 DG A 11 2.617 6.334 3.817 1.00 0.00 H new ATOM 0 H21 DG A 11 4.899 4.450 5.639 1.00 0.00 H new ATOM 0 H22 DG A 11 4.528 5.312 4.142 1.00 0.00 H new ATOM 359 P DA A 12 2.171 3.146 13.947 1.00 0.00 P ATOM 360 OP1 DA A 12 1.771 4.105 15.002 1.00 0.00 O ATOM 361 OP2 DA A 12 3.403 2.343 14.109 1.00 0.00 O ATOM 362 O5' DA A 12 0.938 2.132 13.693 1.00 0.00 O ATOM 363 C5' DA A 12 1.083 0.723 13.921 1.00 0.00 C ATOM 364 C4' DA A 12 0.969 -0.068 12.613 1.00 0.00 C ATOM 365 O4' DA A 12 1.415 0.781 11.532 1.00 0.00 O ATOM 366 C3' DA A 12 1.865 -1.305 12.638 1.00 0.00 C ATOM 367 O3' DA A 12 1.159 -2.389 12.022 1.00 0.00 O ATOM 368 C2' DA A 12 3.056 -0.928 11.822 1.00 0.00 C ATOM 369 C1' DA A 12 2.564 0.173 10.909 1.00 0.00 C ATOM 370 N9 DA A 12 3.587 1.202 10.734 1.00 0.00 N ATOM 371 C8 DA A 12 4.400 1.748 11.654 1.00 0.00 C ATOM 372 N7 DA A 12 5.190 2.696 11.273 1.00 0.00 N ATOM 373 C5 DA A 12 4.856 2.800 9.919 1.00 0.00 C ATOM 374 C6 DA A 12 5.311 3.626 8.887 1.00 0.00 C ATOM 375 N6 DA A 12 6.255 4.552 9.055 1.00 0.00 N ATOM 376 N1 DA A 12 4.753 3.460 7.675 1.00 0.00 N ATOM 377 C2 DA A 12 3.805 2.537 7.490 1.00 0.00 C ATOM 378 N3 DA A 12 3.309 1.705 8.390 1.00 0.00 N ATOM 379 C4 DA A 12 3.878 1.890 9.589 1.00 0.00 C ATOM 0 H5' DA A 12 0.318 0.385 14.620 1.00 0.00 H new ATOM 0 H5'' DA A 12 2.049 0.525 14.385 1.00 0.00 H new ATOM 0 H4' DA A 12 -0.067 -0.382 12.483 1.00 0.00 H new ATOM 0 H3' DA A 12 2.150 -1.615 13.644 1.00 0.00 H new ATOM 0 H2' DA A 12 3.875 -0.583 12.453 1.00 0.00 H new ATOM 0 H2'' DA A 12 3.430 -1.778 11.251 1.00 0.00 H new ATOM 0 H1' DA A 12 2.321 -0.250 9.934 1.00 0.00 H new ATOM 0 H8 DA A 12 4.393 1.405 12.678 1.00 0.00 H new ATOM 0 H61 DA A 12 6.550 5.128 8.267 1.00 0.00 H new ATOM 0 H62 DA A 12 6.682 4.684 9.972 1.00 0.00 H new ATOM 0 H2 DA A 12 3.398 2.462 6.493 1.00 0.00 H new ATOM 391 P DG A 13 -0.062 -3.117 12.774 1.00 0.00 P ATOM 392 OP1 DG A 13 -0.126 -2.601 14.160 1.00 0.00 O ATOM 393 OP2 DG A 13 0.048 -4.573 12.533 1.00 0.00 O ATOM 394 O5' DG A 13 -1.350 -2.568 11.971 1.00 0.00 O ATOM 395 C5' DG A 13 -1.253 -2.178 10.593 1.00 0.00 C ATOM 396 C4' DG A 13 -2.633 -2.055 9.944 1.00 0.00 C ATOM 397 O4' DG A 13 -2.560 -1.220 8.756 1.00 0.00 O ATOM 398 C3' DG A 13 -3.182 -3.419 9.533 1.00 0.00 C ATOM 399 O3' DG A 13 -4.487 -3.586 10.099 1.00 0.00 O ATOM 400 C2' DG A 13 -3.241 -3.419 8.044 1.00 0.00 C ATOM 401 C1' DG A 13 -2.985 -1.999 7.609 1.00 0.00 C ATOM 402 N9 DG A 13 -1.970 -1.950 6.539 1.00 0.00 N ATOM 403 C8 DG A 13 -0.652 -2.271 6.577 1.00 0.00 C ATOM 404 N7 DG A 13 0.030 -2.130 5.491 1.00 0.00 N ATOM 405 C5 DG A 13 -0.942 -1.653 4.605 1.00 0.00 C ATOM 406 C6 DG A 13 -0.827 -1.298 3.234 1.00 0.00 C ATOM 407 O6 DG A 13 0.172 -1.334 2.518 1.00 0.00 O ATOM 408 N1 DG A 13 -2.041 -0.866 2.715 1.00 0.00 N ATOM 409 C2 DG A 13 -3.224 -0.785 3.423 1.00 0.00 C ATOM 410 N2 DG A 13 -4.285 -0.345 2.748 1.00 0.00 N ATOM 411 N3 DG A 13 -3.340 -1.118 4.712 1.00 0.00 N ATOM 412 C4 DG A 13 -2.169 -1.541 5.239 1.00 0.00 C ATOM 0 H5' DG A 13 -0.658 -2.911 10.048 1.00 0.00 H new ATOM 0 H5'' DG A 13 -0.730 -1.225 10.520 1.00 0.00 H new ATOM 0 H4' DG A 13 -3.296 -1.608 10.685 1.00 0.00 H new ATOM 0 H3' DG A 13 -2.558 -4.239 9.887 1.00 0.00 H new ATOM 0 H2' DG A 13 -2.494 -4.094 7.626 1.00 0.00 H new ATOM 0 H2'' DG A 13 -4.214 -3.763 7.694 1.00 0.00 H new ATOM 0 H1' DG A 13 -3.906 -1.577 7.207 1.00 0.00 H new ATOM 0 H8 DG A 13 -0.190 -2.632 7.484 1.00 0.00 H new ATOM 0 H1 DG A 13 -2.060 -0.587 1.734 1.00 0.00 H new ATOM 0 H21 DG A 13 -5.188 -0.263 3.215 1.00 0.00 H new ATOM 0 H22 DG A 13 -4.194 -0.091 1.764 1.00 0.00 H new ATOM 424 P DG A 14 -5.183 -5.036 10.134 1.00 0.00 P ATOM 425 OP1 DG A 14 -6.227 -5.023 11.184 1.00 0.00 O ATOM 426 OP2 DG A 14 -4.117 -6.062 10.165 1.00 0.00 O ATOM 427 O5' DG A 14 -5.910 -5.107 8.699 1.00 0.00 O ATOM 428 C5' DG A 14 -6.861 -4.110 8.313 1.00 0.00 C ATOM 429 C4' DG A 14 -7.379 -4.349 6.896 1.00 0.00 C ATOM 430 O4' DG A 14 -6.417 -3.872 5.904 1.00 0.00 O ATOM 431 C3' DG A 14 -7.602 -5.840 6.644 1.00 0.00 C ATOM 432 O3' DG A 14 -8.904 -6.017 6.076 1.00 0.00 O ATOM 433 C2' DG A 14 -6.536 -6.238 5.677 1.00 0.00 C ATOM 434 C1' DG A 14 -6.155 -4.961 4.983 1.00 0.00 C ATOM 435 N9 DG A 14 -4.746 -4.996 4.574 1.00 0.00 N ATOM 436 C8 DG A 14 -3.646 -5.213 5.320 1.00 0.00 C ATOM 437 N7 DG A 14 -2.502 -5.208 4.720 1.00 0.00 N ATOM 438 C5 DG A 14 -2.879 -4.959 3.395 1.00 0.00 C ATOM 439 C6 DG A 14 -2.082 -4.835 2.226 1.00 0.00 C ATOM 440 O6 DG A 14 -0.860 -4.919 2.123 1.00 0.00 O ATOM 441 N1 DG A 14 -2.862 -4.588 1.100 1.00 0.00 N ATOM 442 C2 DG A 14 -4.238 -4.475 1.097 1.00 0.00 C ATOM 443 N2 DG A 14 -4.809 -4.249 -0.086 1.00 0.00 N ATOM 444 N3 DG A 14 -4.993 -4.588 2.193 1.00 0.00 N ATOM 445 C4 DG A 14 -4.256 -4.828 3.300 1.00 0.00 C ATOM 0 H5' DG A 14 -6.400 -3.124 8.371 1.00 0.00 H new ATOM 0 H5'' DG A 14 -7.697 -4.113 9.012 1.00 0.00 H new ATOM 0 H4' DG A 14 -8.319 -3.805 6.803 1.00 0.00 H new ATOM 0 H3' DG A 14 -7.551 -6.443 7.550 1.00 0.00 H new ATOM 0 H2' DG A 14 -5.682 -6.680 6.189 1.00 0.00 H new ATOM 0 H2'' DG A 14 -6.902 -6.980 4.968 1.00 0.00 H new ATOM 0 H1' DG A 14 -6.740 -4.824 4.073 1.00 0.00 H new ATOM 0 H8 DG A 14 -3.718 -5.385 6.384 1.00 0.00 H new ATOM 0 H1 DG A 14 -2.379 -4.482 0.208 1.00 0.00 H new ATOM 0 H21 DG A 14 -5.822 -4.156 -0.154 1.00 0.00 H new ATOM 0 H22 DG A 14 -4.232 -4.169 -0.924 1.00 0.00 H new ATOM 457 P DA A 15 -9.583 -7.473 5.994 1.00 0.00 P ATOM 458 OP1 DA A 15 -10.655 -7.543 7.012 1.00 0.00 O ATOM 459 OP2 DA A 15 -8.506 -8.487 5.984 1.00 0.00 O ATOM 460 O5' DA A 15 -10.270 -7.449 4.536 1.00 0.00 O ATOM 461 C5' DA A 15 -9.751 -6.612 3.494 1.00 0.00 C ATOM 462 C4' DA A 15 -10.626 -5.379 3.270 1.00 0.00 C ATOM 463 O4' DA A 15 -10.441 -4.408 4.338 1.00 0.00 O ATOM 464 C3' DA A 15 -10.280 -4.688 1.958 1.00 0.00 C ATOM 465 O3' DA A 15 -11.185 -5.106 0.934 1.00 0.00 O ATOM 466 C2' DA A 15 -10.410 -3.226 2.236 1.00 0.00 C ATOM 467 C1' DA A 15 -10.304 -3.087 3.742 1.00 0.00 C ATOM 468 N9 DA A 15 -9.012 -2.478 4.131 1.00 0.00 N ATOM 469 C8 DA A 15 -7.798 -2.543 3.525 1.00 0.00 C ATOM 470 N7 DA A 15 -6.817 -1.920 4.086 1.00 0.00 N ATOM 471 C5 DA A 15 -7.439 -1.368 5.209 1.00 0.00 C ATOM 472 C6 DA A 15 -6.965 -0.572 6.257 1.00 0.00 C ATOM 473 N6 DA A 15 -5.698 -0.170 6.351 1.00 0.00 N ATOM 474 N1 DA A 15 -7.847 -0.205 7.202 1.00 0.00 N ATOM 475 C2 DA A 15 -9.120 -0.594 7.125 1.00 0.00 C ATOM 476 N3 DA A 15 -9.675 -1.346 6.179 1.00 0.00 N ATOM 477 C4 DA A 15 -8.773 -1.702 5.244 1.00 0.00 C ATOM 0 H5' DA A 15 -9.684 -7.183 2.568 1.00 0.00 H new ATOM 0 H5'' DA A 15 -8.739 -6.298 3.749 1.00 0.00 H new ATOM 0 H4' DA A 15 -11.658 -5.729 3.249 1.00 0.00 H new ATOM 0 H3' DA A 15 -9.278 -4.934 1.608 1.00 0.00 H new ATOM 0 H2' DA A 15 -9.625 -2.660 1.734 1.00 0.00 H new ATOM 0 H2'' DA A 15 -11.363 -2.841 1.873 1.00 0.00 H new ATOM 0 H1' DA A 15 -11.096 -2.430 4.101 1.00 0.00 H new ATOM 0 H8 DA A 15 -7.659 -3.096 2.608 1.00 0.00 H new ATOM 0 H61 DA A 15 -5.404 0.410 7.137 1.00 0.00 H new ATOM 0 H62 DA A 15 -5.022 -0.443 5.637 1.00 0.00 H new ATOM 0 H2 DA A 15 -9.773 -0.262 7.919 1.00 0.00 H new ATOM 489 P DG A 16 -10.838 -4.816 -0.610 1.00 0.00 P ATOM 490 OP1 DG A 16 -12.086 -4.415 -1.297 1.00 0.00 O ATOM 491 OP2 DG A 16 -10.041 -5.950 -1.127 1.00 0.00 O ATOM 492 O5' DG A 16 -9.877 -3.525 -0.512 1.00 0.00 O ATOM 493 C5' DG A 16 -10.308 -2.257 -1.016 1.00 0.00 C ATOM 494 C4' DG A 16 -9.335 -1.703 -2.054 1.00 0.00 C ATOM 495 O4' DG A 16 -8.210 -1.046 -1.411 1.00 0.00 O ATOM 496 C3' DG A 16 -8.783 -2.812 -2.952 1.00 0.00 C ATOM 497 O3' DG A 16 -9.288 -2.640 -4.280 1.00 0.00 O ATOM 498 C2' DG A 16 -7.291 -2.666 -2.910 1.00 0.00 C ATOM 499 C1' DG A 16 -7.023 -1.377 -2.165 1.00 0.00 C ATOM 500 N9 DG A 16 -5.865 -1.527 -1.267 1.00 0.00 N ATOM 501 C8 DG A 16 -5.824 -1.615 0.086 1.00 0.00 C ATOM 502 N7 DG A 16 -4.668 -1.754 0.642 1.00 0.00 N ATOM 503 C5 DG A 16 -3.818 -1.761 -0.468 1.00 0.00 C ATOM 504 C6 DG A 16 -2.406 -1.887 -0.530 1.00 0.00 C ATOM 505 O6 DG A 16 -1.610 -2.016 0.398 1.00 0.00 O ATOM 506 N1 DG A 16 -1.950 -1.849 -1.839 1.00 0.00 N ATOM 507 C2 DG A 16 -2.747 -1.705 -2.957 1.00 0.00 C ATOM 508 N2 DG A 16 -2.119 -1.685 -4.133 1.00 0.00 N ATOM 509 N3 DG A 16 -4.077 -1.587 -2.908 1.00 0.00 N ATOM 510 C4 DG A 16 -4.545 -1.623 -1.640 1.00 0.00 C ATOM 0 H5' DG A 16 -10.402 -1.550 -0.191 1.00 0.00 H new ATOM 0 H5'' DG A 16 -11.297 -2.360 -1.462 1.00 0.00 H new ATOM 0 H4' DG A 16 -9.895 -0.988 -2.657 1.00 0.00 H new ATOM 0 H3' DG A 16 -9.080 -3.807 -2.621 1.00 0.00 H new ATOM 0 H2' DG A 16 -6.829 -3.514 -2.403 1.00 0.00 H new ATOM 0 H2'' DG A 16 -6.873 -2.630 -3.916 1.00 0.00 H new ATOM 0 H1' DG A 16 -6.789 -0.579 -2.869 1.00 0.00 H new ATOM 0 H8 DG A 16 -6.727 -1.570 0.677 1.00 0.00 H new ATOM 0 H1 DG A 16 -0.945 -1.934 -1.988 1.00 0.00 H new ATOM 0 H21 DG A 16 -2.654 -1.581 -4.995 1.00 0.00 H new ATOM 0 H22 DG A 16 -1.104 -1.774 -4.170 1.00 0.00 H new ATOM 522 P DG A 17 -9.687 -3.920 -5.172 1.00 0.00 P ATOM 523 OP1 DG A 17 -10.844 -3.551 -6.018 1.00 0.00 O ATOM 524 OP2 DG A 17 -9.768 -5.099 -4.281 1.00 0.00 O ATOM 525 O5' DG A 17 -8.401 -4.095 -6.124 1.00 0.00 O ATOM 526 C5' DG A 17 -7.957 -3.011 -6.942 1.00 0.00 C ATOM 527 C4' DG A 17 -6.578 -3.282 -7.538 1.00 0.00 C ATOM 528 O4' DG A 17 -5.525 -3.003 -6.566 1.00 0.00 O ATOM 529 C3' DG A 17 -6.437 -4.736 -7.974 1.00 0.00 C ATOM 530 O3' DG A 17 -6.030 -4.752 -9.347 1.00 0.00 O ATOM 531 C2' DG A 17 -5.381 -5.317 -7.099 1.00 0.00 C ATOM 532 C1' DG A 17 -4.623 -4.135 -6.564 1.00 0.00 C ATOM 533 N9 DG A 17 -4.106 -4.417 -5.224 1.00 0.00 N ATOM 534 C8 DG A 17 -4.755 -4.884 -4.141 1.00 0.00 C ATOM 535 N7 DG A 17 -4.063 -5.081 -3.065 1.00 0.00 N ATOM 536 C5 DG A 17 -2.780 -4.698 -3.482 1.00 0.00 C ATOM 537 C6 DG A 17 -1.550 -4.679 -2.768 1.00 0.00 C ATOM 538 O6 DG A 17 -1.342 -5.002 -1.600 1.00 0.00 O ATOM 539 N1 DG A 17 -0.503 -4.226 -3.566 1.00 0.00 N ATOM 540 C2 DG A 17 -0.619 -3.839 -4.884 1.00 0.00 C ATOM 541 N2 DG A 17 0.502 -3.437 -5.482 1.00 0.00 N ATOM 542 N3 DG A 17 -1.770 -3.852 -5.561 1.00 0.00 N ATOM 543 C4 DG A 17 -2.803 -4.289 -4.806 1.00 0.00 C ATOM 0 H5' DG A 17 -7.924 -2.097 -6.349 1.00 0.00 H new ATOM 0 H5'' DG A 17 -8.674 -2.844 -7.745 1.00 0.00 H new ATOM 0 H4' DG A 17 -6.477 -2.625 -8.402 1.00 0.00 H new ATOM 0 H3' DG A 17 -7.363 -5.304 -7.886 1.00 0.00 H new ATOM 0 H2' DG A 17 -5.817 -5.904 -6.291 1.00 0.00 H new ATOM 0 H2'' DG A 17 -4.727 -5.984 -7.660 1.00 0.00 H new ATOM 0 H1' DG A 17 -3.757 -3.914 -7.188 1.00 0.00 H new ATOM 0 H8 DG A 17 -5.815 -5.087 -4.169 1.00 0.00 H new ATOM 0 H1 DG A 17 0.423 -4.177 -3.142 1.00 0.00 H new ATOM 0 H21 DG A 17 0.481 -3.138 -6.457 1.00 0.00 H new ATOM 0 H22 DG A 17 1.381 -3.428 -4.965 1.00 0.00 H new ATOM 555 P DA A 18 -6.086 -6.098 -10.223 1.00 0.00 P ATOM 556 OP1 DA A 18 -7.250 -6.014 -11.134 1.00 0.00 O ATOM 557 OP2 DA A 18 -5.943 -7.254 -9.310 1.00 0.00 O ATOM 558 O5' DA A 18 -4.741 -5.980 -11.108 1.00 0.00 O ATOM 559 C5' DA A 18 -3.577 -5.317 -10.593 1.00 0.00 C ATOM 560 C4' DA A 18 -3.364 -3.952 -11.251 1.00 0.00 C ATOM 561 O4' DA A 18 -4.301 -2.968 -10.723 1.00 0.00 O ATOM 562 C3' DA A 18 -1.958 -3.426 -10.995 1.00 0.00 C ATOM 563 O3' DA A 18 -1.113 -3.726 -12.106 1.00 0.00 O ATOM 564 C2' DA A 18 -2.116 -1.951 -10.814 1.00 0.00 C ATOM 565 C1' DA A 18 -3.571 -1.740 -10.442 1.00 0.00 C ATOM 566 N9 DA A 18 -3.700 -1.381 -9.015 1.00 0.00 N ATOM 567 C8 DA A 18 -2.874 -1.651 -7.975 1.00 0.00 C ATOM 568 N7 DA A 18 -3.232 -1.242 -6.806 1.00 0.00 N ATOM 569 C5 DA A 18 -4.449 -0.617 -7.087 1.00 0.00 C ATOM 570 C6 DA A 18 -5.383 0.042 -6.283 1.00 0.00 C ATOM 571 N6 DA A 18 -5.238 0.182 -4.965 1.00 0.00 N ATOM 572 N1 DA A 18 -6.478 0.541 -6.885 1.00 0.00 N ATOM 573 C2 DA A 18 -6.647 0.399 -8.201 1.00 0.00 C ATOM 574 N3 DA A 18 -5.828 -0.206 -9.056 1.00 0.00 N ATOM 575 C4 DA A 18 -4.741 -0.696 -8.430 1.00 0.00 C ATOM 0 H5' DA A 18 -2.699 -5.942 -10.759 1.00 0.00 H new ATOM 0 H5'' DA A 18 -3.678 -5.189 -9.515 1.00 0.00 H new ATOM 0 H4' DA A 18 -3.521 -4.095 -12.320 1.00 0.00 H new ATOM 0 H3' DA A 18 -1.495 -3.883 -10.121 1.00 0.00 H new ATOM 0 H2' DA A 18 -1.454 -1.579 -10.033 1.00 0.00 H new ATOM 0 H2'' DA A 18 -1.863 -1.414 -11.729 1.00 0.00 H new ATOM 0 H1' DA A 18 -3.983 -0.919 -11.028 1.00 0.00 H new ATOM 0 H8 DA A 18 -1.949 -2.189 -8.120 1.00 0.00 H new ATOM 0 H61 DA A 18 -5.949 0.672 -4.423 1.00 0.00 H new ATOM 0 H62 DA A 18 -4.416 -0.201 -4.499 1.00 0.00 H new ATOM 0 H2 DA A 18 -7.549 0.822 -8.618 1.00 0.00 H new ATOM 587 P DG A 19 0.485 -3.608 -11.957 1.00 0.00 P ATOM 588 OP1 DG A 19 1.042 -3.168 -13.255 1.00 0.00 O ATOM 589 OP2 DG A 19 0.984 -4.848 -11.322 1.00 0.00 O ATOM 590 O5' DG A 19 0.652 -2.399 -10.900 1.00 0.00 O ATOM 591 C5' DG A 19 1.560 -1.323 -11.166 1.00 0.00 C ATOM 592 C4' DG A 19 2.648 -1.219 -10.100 1.00 0.00 C ATOM 593 O4' DG A 19 2.173 -0.494 -8.933 1.00 0.00 O ATOM 594 C3' DG A 19 3.116 -2.600 -9.635 1.00 0.00 C ATOM 595 O3' DG A 19 4.484 -2.779 -10.014 1.00 0.00 O ATOM 596 C2' DG A 19 2.972 -2.600 -8.142 1.00 0.00 C ATOM 597 C1' DG A 19 2.708 -1.163 -7.769 1.00 0.00 C ATOM 598 N9 DG A 19 1.795 -1.060 -6.619 1.00 0.00 N ATOM 599 C8 DG A 19 0.449 -0.906 -6.585 1.00 0.00 C ATOM 600 N7 DG A 19 -0.107 -0.790 -5.424 1.00 0.00 N ATOM 601 C5 DG A 19 0.997 -0.878 -4.569 1.00 0.00 C ATOM 602 C6 DG A 19 1.061 -0.820 -3.151 1.00 0.00 C ATOM 603 O6 DG A 19 0.140 -0.670 -2.352 1.00 0.00 O ATOM 604 N1 DG A 19 2.366 -0.951 -2.692 1.00 0.00 N ATOM 605 C2 DG A 19 3.477 -1.117 -3.495 1.00 0.00 C ATOM 606 N2 DG A 19 4.647 -1.233 -2.869 1.00 0.00 N ATOM 607 N3 DG A 19 3.425 -1.171 -4.828 1.00 0.00 N ATOM 608 C4 DG A 19 2.163 -1.046 -5.297 1.00 0.00 C ATOM 0 H5' DG A 19 1.007 -0.385 -11.213 1.00 0.00 H new ATOM 0 H5'' DG A 19 2.021 -1.470 -12.142 1.00 0.00 H new ATOM 0 H4' DG A 19 3.478 -0.685 -10.562 1.00 0.00 H new ATOM 0 H3' DG A 19 2.538 -3.410 -10.080 1.00 0.00 H new ATOM 0 H2' DG A 19 2.153 -3.246 -7.826 1.00 0.00 H new ATOM 0 H2'' DG A 19 3.876 -2.972 -7.659 1.00 0.00 H new ATOM 0 H1' DG A 19 3.637 -0.684 -7.460 1.00 0.00 H new ATOM 0 H8 DG A 19 -0.136 -0.881 -7.492 1.00 0.00 H new ATOM 0 H1 DG A 19 2.515 -0.922 -1.683 1.00 0.00 H new ATOM 0 H21 DG A 19 5.504 -1.358 -3.408 1.00 0.00 H new ATOM 0 H22 DG A 19 4.686 -1.197 -1.850 1.00 0.00 H new ATOM 620 P DG A 20 5.166 -4.233 -9.947 1.00 0.00 P ATOM 621 OP1 DG A 20 6.347 -4.234 -10.837 1.00 0.00 O ATOM 622 OP2 DG A 20 4.107 -5.252 -10.119 1.00 0.00 O ATOM 623 O5' DG A 20 5.682 -4.293 -8.421 1.00 0.00 O ATOM 624 C5' DG A 20 6.856 -3.577 -8.021 1.00 0.00 C ATOM 625 C4' DG A 20 7.383 -4.076 -6.677 1.00 0.00 C ATOM 626 O4' DG A 20 6.629 -3.490 -5.572 1.00 0.00 O ATOM 627 C3' DG A 20 7.252 -5.596 -6.582 1.00 0.00 C ATOM 628 O3' DG A 20 8.493 -6.147 -6.133 1.00 0.00 O ATOM 629 C2' DG A 20 6.179 -5.825 -5.567 1.00 0.00 C ATOM 630 C1' DG A 20 6.175 -4.576 -4.728 1.00 0.00 C ATOM 631 N9 DG A 20 4.837 -4.321 -4.182 1.00 0.00 N ATOM 632 C8 DG A 20 3.656 -4.238 -4.823 1.00 0.00 C ATOM 633 N7 DG A 20 2.599 -4.032 -4.110 1.00 0.00 N ATOM 634 C5 DG A 20 3.137 -3.972 -2.818 1.00 0.00 C ATOM 635 C6 DG A 20 2.493 -3.768 -1.568 1.00 0.00 C ATOM 636 O6 DG A 20 1.296 -3.594 -1.346 1.00 0.00 O ATOM 637 N1 DG A 20 3.404 -3.780 -0.517 1.00 0.00 N ATOM 638 C2 DG A 20 4.765 -3.964 -0.647 1.00 0.00 C ATOM 639 N2 DG A 20 5.474 -3.940 0.480 1.00 0.00 N ATOM 640 N3 DG A 20 5.378 -4.155 -1.819 1.00 0.00 N ATOM 641 C4 DG A 20 4.511 -4.148 -2.857 1.00 0.00 C ATOM 0 H5' DG A 20 6.629 -2.513 -7.952 1.00 0.00 H new ATOM 0 H5'' DG A 20 7.629 -3.690 -8.781 1.00 0.00 H new ATOM 0 H4' DG A 20 8.430 -3.781 -6.609 1.00 0.00 H new ATOM 0 H3' DG A 20 7.010 -6.063 -7.537 1.00 0.00 H new ATOM 0 H2' DG A 20 5.212 -5.986 -6.043 1.00 0.00 H new ATOM 0 H2'' DG A 20 6.387 -6.708 -4.962 1.00 0.00 H new ATOM 0 H1' DG A 20 6.840 -4.680 -3.871 1.00 0.00 H new ATOM 0 H8 DG A 20 3.595 -4.340 -5.896 1.00 0.00 H new ATOM 0 H1 DG A 20 3.037 -3.642 0.424 1.00 0.00 H new ATOM 0 H21 DG A 20 6.485 -4.070 0.449 1.00 0.00 H new ATOM 0 H22 DG A 20 5.006 -3.791 1.374 1.00 0.00 H new ATOM 653 P DA A 21 9.768 -6.226 -7.111 1.00 0.00 P ATOM 654 OP1 DA A 21 9.607 -5.204 -8.169 1.00 0.00 O ATOM 655 OP2 DA A 21 9.985 -7.643 -7.479 1.00 0.00 O ATOM 656 O5' DA A 21 10.968 -5.764 -6.140 1.00 0.00 O ATOM 657 C5' DA A 21 10.729 -5.542 -4.744 1.00 0.00 C ATOM 658 C4' DA A 21 11.324 -4.214 -4.274 1.00 0.00 C ATOM 659 O4' DA A 21 10.937 -3.128 -5.161 1.00 0.00 O ATOM 660 C3' DA A 21 10.856 -3.854 -2.873 1.00 0.00 C ATOM 661 O3' DA A 21 11.832 -4.272 -1.915 1.00 0.00 O ATOM 662 C2' DA A 21 10.702 -2.368 -2.884 1.00 0.00 C ATOM 663 C1' DA A 21 10.572 -1.981 -4.348 1.00 0.00 C ATOM 664 N9 DA A 21 9.197 -1.547 -4.668 1.00 0.00 N ATOM 665 C8 DA A 21 8.031 -1.781 -4.015 1.00 0.00 C ATOM 666 N7 DA A 21 6.956 -1.267 -4.510 1.00 0.00 N ATOM 667 C5 DA A 21 7.454 -0.608 -5.636 1.00 0.00 C ATOM 668 C6 DA A 21 6.842 0.158 -6.633 1.00 0.00 C ATOM 669 N6 DA A 21 5.536 0.414 -6.656 1.00 0.00 N ATOM 670 N1 DA A 21 7.630 0.658 -7.601 1.00 0.00 N ATOM 671 C2 DA A 21 8.942 0.423 -7.590 1.00 0.00 C ATOM 672 N3 DA A 21 9.625 -0.282 -6.697 1.00 0.00 N ATOM 673 C4 DA A 21 8.815 -0.774 -5.739 1.00 0.00 C ATOM 0 H5' DA A 21 11.161 -6.359 -4.166 1.00 0.00 H new ATOM 0 H5'' DA A 21 9.656 -5.548 -4.553 1.00 0.00 H new ATOM 0 H4' DA A 21 12.406 -4.343 -4.279 1.00 0.00 H new ATOM 0 H3' DA A 21 9.922 -4.344 -2.600 1.00 0.00 H new ATOM 0 H2' DA A 21 9.823 -2.061 -2.318 1.00 0.00 H new ATOM 0 H2'' DA A 21 11.563 -1.881 -2.425 1.00 0.00 H new ATOM 0 H1' DA A 21 11.236 -1.142 -4.557 1.00 0.00 H new ATOM 0 H8 DA A 21 8.004 -2.376 -3.114 1.00 0.00 H new ATOM 0 H61 DA A 21 5.140 0.979 -7.407 1.00 0.00 H new ATOM 0 H62 DA A 21 4.931 0.045 -5.922 1.00 0.00 H new ATOM 0 H2 DA A 21 9.513 0.855 -8.399 1.00 0.00 H new ATOM 685 P DG A 22 11.434 -4.406 -0.361 1.00 0.00 P ATOM 686 OP1 DG A 22 12.661 -4.224 0.447 1.00 0.00 O ATOM 687 OP2 DG A 22 10.616 -5.628 -0.195 1.00 0.00 O ATOM 688 O5' DG A 22 10.484 -3.125 -0.132 1.00 0.00 O ATOM 689 C5' DG A 22 10.969 -1.975 0.569 1.00 0.00 C ATOM 690 C4' DG A 22 10.088 -1.631 1.768 1.00 0.00 C ATOM 691 O4' DG A 22 8.911 -0.881 1.357 1.00 0.00 O ATOM 692 C3' DG A 22 9.612 -2.894 2.488 1.00 0.00 C ATOM 693 O3' DG A 22 10.231 -2.965 3.777 1.00 0.00 O ATOM 694 C2' DG A 22 8.122 -2.757 2.608 1.00 0.00 C ATOM 695 C1' DG A 22 7.801 -1.350 2.157 1.00 0.00 C ATOM 696 N9 DG A 22 6.544 -1.315 1.385 1.00 0.00 N ATOM 697 C8 DG A 22 6.352 -1.345 0.045 1.00 0.00 C ATOM 698 N7 DG A 22 5.138 -1.278 -0.388 1.00 0.00 N ATOM 699 C5 DG A 22 4.414 -1.195 0.805 1.00 0.00 C ATOM 700 C6 DG A 22 3.012 -1.096 1.012 1.00 0.00 C ATOM 701 O6 DG A 22 2.118 -1.064 0.170 1.00 0.00 O ATOM 702 N1 DG A 22 2.700 -1.035 2.364 1.00 0.00 N ATOM 703 C2 DG A 22 3.618 -1.064 3.394 1.00 0.00 C ATOM 704 N2 DG A 22 3.118 -0.998 4.630 1.00 0.00 N ATOM 705 N3 DG A 22 4.940 -1.156 3.209 1.00 0.00 N ATOM 706 C4 DG A 22 5.268 -1.217 1.897 1.00 0.00 C ATOM 0 H5' DG A 22 11.007 -1.124 -0.111 1.00 0.00 H new ATOM 0 H5'' DG A 22 11.989 -2.158 0.907 1.00 0.00 H new ATOM 0 H4' DG A 22 10.699 -1.028 2.440 1.00 0.00 H new ATOM 0 H3' DG A 22 9.874 -3.806 1.952 1.00 0.00 H new ATOM 0 H2' DG A 22 7.610 -3.493 1.988 1.00 0.00 H new ATOM 0 H2'' DG A 22 7.795 -2.923 3.635 1.00 0.00 H new ATOM 0 H1' DG A 22 7.659 -0.702 3.022 1.00 0.00 H new ATOM 0 H8 DG A 22 7.185 -1.422 -0.638 1.00 0.00 H new ATOM 0 H1 DG A 22 1.714 -0.963 2.616 1.00 0.00 H new ATOM 0 H21 DG A 22 3.744 -1.015 5.435 1.00 0.00 H new ATOM 0 H22 DG A 22 2.110 -0.931 4.769 1.00 0.00 H new ATOM 718 P DG A 23 11.298 -4.125 4.112 1.00 0.00 P ATOM 719 OP1 DG A 23 12.544 -3.484 4.590 1.00 0.00 O ATOM 720 OP2 DG A 23 11.342 -5.059 2.965 1.00 0.00 O ATOM 721 O5' DG A 23 10.612 -4.884 5.355 1.00 0.00 O ATOM 722 C5' DG A 23 9.648 -4.217 6.173 1.00 0.00 C ATOM 723 C4' DG A 23 8.579 -5.180 6.696 1.00 0.00 C ATOM 724 O4' DG A 23 7.245 -4.670 6.404 1.00 0.00 O ATOM 725 C3' DG A 23 8.709 -6.560 6.048 1.00 0.00 C ATOM 726 O3' DG A 23 9.007 -7.528 7.060 1.00 0.00 O ATOM 727 C2' DG A 23 7.385 -6.840 5.404 1.00 0.00 C ATOM 728 C1' DG A 23 6.443 -5.774 5.922 1.00 0.00 C ATOM 729 N9 DG A 23 5.504 -5.325 4.873 1.00 0.00 N ATOM 730 C8 DG A 23 5.709 -5.130 3.548 1.00 0.00 C ATOM 731 N7 DG A 23 4.709 -4.724 2.840 1.00 0.00 N ATOM 732 C5 DG A 23 3.698 -4.631 3.801 1.00 0.00 C ATOM 733 C6 DG A 23 2.341 -4.234 3.660 1.00 0.00 C ATOM 734 O6 DG A 23 1.753 -3.881 2.640 1.00 0.00 O ATOM 735 N1 DG A 23 1.668 -4.280 4.874 1.00 0.00 N ATOM 736 C2 DG A 23 2.225 -4.660 6.079 1.00 0.00 C ATOM 737 N2 DG A 23 1.414 -4.641 7.136 1.00 0.00 N ATOM 738 N3 DG A 23 3.501 -5.034 6.220 1.00 0.00 N ATOM 739 C4 DG A 23 4.178 -4.997 5.049 1.00 0.00 C ATOM 0 H5' DG A 23 9.171 -3.423 5.598 1.00 0.00 H new ATOM 0 H5'' DG A 23 10.152 -3.742 7.015 1.00 0.00 H new ATOM 0 H4' DG A 23 8.726 -5.266 7.773 1.00 0.00 H new ATOM 0 H3' DG A 23 9.510 -6.601 5.310 1.00 0.00 H new ATOM 0 H2' DG A 23 7.462 -6.800 4.317 1.00 0.00 H new ATOM 0 H2'' DG A 23 7.027 -7.837 5.662 1.00 0.00 H new ATOM 0 H1' DG A 23 5.835 -6.181 6.730 1.00 0.00 H new ATOM 0 H8 DG A 23 6.675 -5.308 3.100 1.00 0.00 H new ATOM 0 H1 DG A 23 0.684 -4.012 4.876 1.00 0.00 H new ATOM 0 H21 DG A 23 1.767 -4.911 8.054 1.00 0.00 H new ATOM 0 H22 DG A 23 0.441 -4.356 7.027 1.00 0.00 H new ATOM 751 P DA A 24 9.550 -8.989 6.661 1.00 0.00 P ATOM 752 OP1 DA A 24 10.613 -9.366 7.619 1.00 0.00 O ATOM 753 OP2 DA A 24 9.829 -9.000 5.208 1.00 0.00 O ATOM 754 O5' DA A 24 8.270 -9.927 6.935 1.00 0.00 O ATOM 755 C5' DA A 24 7.256 -9.521 7.860 1.00 0.00 C ATOM 756 C4' DA A 24 5.872 -9.993 7.419 1.00 0.00 C ATOM 757 O4' DA A 24 5.245 -9.000 6.566 1.00 0.00 O ATOM 758 C3' DA A 24 5.964 -11.297 6.635 1.00 0.00 C ATOM 759 O3' DA A 24 5.480 -12.395 7.416 1.00 0.00 O ATOM 760 C2' DA A 24 5.117 -11.095 5.416 1.00 0.00 C ATOM 761 C1' DA A 24 4.526 -9.704 5.531 1.00 0.00 C ATOM 762 N9 DA A 24 4.633 -8.987 4.253 1.00 0.00 N ATOM 763 C8 DA A 24 5.668 -8.937 3.390 1.00 0.00 C ATOM 764 N7 DA A 24 5.526 -8.226 2.322 1.00 0.00 N ATOM 765 C5 DA A 24 4.226 -7.736 2.485 1.00 0.00 C ATOM 766 C6 DA A 24 3.423 -6.898 1.704 1.00 0.00 C ATOM 767 N6 DA A 24 3.823 -6.379 0.544 1.00 0.00 N ATOM 768 N1 DA A 24 2.190 -6.618 2.164 1.00 0.00 N ATOM 769 C2 DA A 24 1.770 -7.127 3.323 1.00 0.00 C ATOM 770 N3 DA A 24 2.445 -7.928 4.142 1.00 0.00 N ATOM 771 C4 DA A 24 3.676 -8.195 3.660 1.00 0.00 C ATOM 0 H5' DA A 24 7.259 -8.435 7.951 1.00 0.00 H new ATOM 0 H5'' DA A 24 7.481 -9.924 8.848 1.00 0.00 H new ATOM 0 H4' DA A 24 5.279 -10.146 8.321 1.00 0.00 H new ATOM 0 H3' DA A 24 6.994 -11.536 6.372 1.00 0.00 H new ATOM 0 H2' DA A 24 5.714 -11.190 4.509 1.00 0.00 H new ATOM 0 H2'' DA A 24 4.331 -11.848 5.360 1.00 0.00 H new ATOM 0 HO3' DA A 24 5.546 -13.222 6.894 1.00 0.00 H new ATOM 0 H1' DA A 24 3.467 -9.768 5.783 1.00 0.00 H new ATOM 0 H8 DA A 24 6.585 -9.474 3.586 1.00 0.00 H new ATOM 0 H61 DA A 24 3.197 -5.773 0.013 1.00 0.00 H new ATOM 0 H62 DA A 24 4.755 -6.588 0.186 1.00 0.00 H new ATOM 0 H2 DA A 24 0.770 -6.859 3.631 1.00 0.00 H new TER 784 DA A 24