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 USER MOD Single : A 24 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 10.566 2.742 5.947 1.00 0.00 O ATOM 2 C5' DG A 1 9.268 2.491 5.401 1.00 0.00 C ATOM 3 C4' DG A 1 9.255 2.662 3.883 1.00 0.00 C ATOM 4 O4' DG A 1 7.984 2.211 3.324 1.00 0.00 O ATOM 5 C3' DG A 1 9.443 4.128 3.489 1.00 0.00 C ATOM 6 O3' DG A 1 10.554 4.233 2.596 1.00 0.00 O ATOM 7 C2' DG A 1 8.178 4.532 2.808 1.00 0.00 C ATOM 8 C1' DG A 1 7.505 3.243 2.425 1.00 0.00 C ATOM 9 N9 DG A 1 6.044 3.386 2.488 1.00 0.00 N ATOM 10 C8 DG A 1 5.274 3.928 3.456 1.00 0.00 C ATOM 11 N7 DG A 1 4.000 3.974 3.255 1.00 0.00 N ATOM 12 C5 DG A 1 3.895 3.389 1.989 1.00 0.00 C ATOM 13 C6 DG A 1 2.746 3.144 1.192 1.00 0.00 C ATOM 14 O6 DG A 1 1.572 3.396 1.449 1.00 0.00 O ATOM 15 N1 DG A 1 3.082 2.541 -0.012 1.00 0.00 N ATOM 16 C2 DG A 1 4.361 2.212 -0.408 1.00 0.00 C ATOM 17 N2 DG A 1 4.480 1.640 -1.606 1.00 0.00 N ATOM 18 N3 DG A 1 5.447 2.438 0.335 1.00 0.00 N ATOM 19 C4 DG A 1 5.144 3.027 1.514 1.00 0.00 C ATOM 0 H5' DG A 1 8.545 3.172 5.851 1.00 0.00 H new ATOM 0 H5'' DG A 1 8.954 1.479 5.657 1.00 0.00 H new ATOM 0 H4' DG A 1 10.077 2.064 3.490 1.00 0.00 H new ATOM 0 H3' DG A 1 9.644 4.768 4.348 1.00 0.00 H new ATOM 0 H2' DG A 1 7.546 5.124 3.470 1.00 0.00 H new ATOM 0 H2'' DG A 1 8.382 5.145 1.930 1.00 0.00 H new ATOM 0 HO5' DG A 1 10.540 2.626 6.920 1.00 0.00 H new ATOM 0 H1' DG A 1 7.747 2.971 1.398 1.00 0.00 H new ATOM 0 H8 DG A 1 5.710 4.310 4.367 1.00 0.00 H new ATOM 0 H1 DG A 1 2.321 2.324 -0.656 1.00 0.00 H new ATOM 0 H21 DG A 1 5.401 1.374 -1.955 1.00 0.00 H new ATOM 0 H22 DG A 1 3.650 1.469 -2.174 1.00 0.00 H new ATOM 32 P DG A 2 11.180 5.668 2.232 1.00 0.00 P ATOM 33 OP1 DG A 2 12.654 5.573 2.330 1.00 0.00 O ATOM 34 OP2 DG A 2 10.451 6.704 2.997 1.00 0.00 O ATOM 35 O5' DG A 2 10.784 5.813 0.676 1.00 0.00 O ATOM 36 C5' DG A 2 10.808 4.662 -0.175 1.00 0.00 C ATOM 37 C4' DG A 2 9.961 4.854 -1.435 1.00 0.00 C ATOM 38 O4' DG A 2 8.548 4.628 -1.160 1.00 0.00 O ATOM 39 C3' DG A 2 10.105 6.266 -2.001 1.00 0.00 C ATOM 40 O3' DG A 2 10.731 6.182 -3.286 1.00 0.00 O ATOM 41 C2' DG A 2 8.712 6.810 -2.116 1.00 0.00 C ATOM 42 C1' DG A 2 7.801 5.630 -1.889 1.00 0.00 C ATOM 43 N9 DG A 2 6.586 6.032 -1.161 1.00 0.00 N ATOM 44 C8 DG A 2 6.450 6.549 0.082 1.00 0.00 C ATOM 45 N7 DG A 2 5.255 6.832 0.486 1.00 0.00 N ATOM 46 C5 DG A 2 4.486 6.461 -0.624 1.00 0.00 C ATOM 47 C6 DG A 2 3.078 6.524 -0.824 1.00 0.00 C ATOM 48 O6 DG A 2 2.215 6.925 -0.046 1.00 0.00 O ATOM 49 N1 DG A 2 2.720 6.052 -2.083 1.00 0.00 N ATOM 50 C2 DG A 2 3.600 5.578 -3.033 1.00 0.00 C ATOM 51 N2 DG A 2 3.062 5.168 -4.182 1.00 0.00 N ATOM 52 N3 DG A 2 4.922 5.516 -2.853 1.00 0.00 N ATOM 53 C4 DG A 2 5.296 5.971 -1.636 1.00 0.00 C ATOM 0 H5' DG A 2 10.442 3.797 0.378 1.00 0.00 H new ATOM 0 H5'' DG A 2 11.837 4.446 -0.461 1.00 0.00 H new ATOM 0 H4' DG A 2 10.325 4.126 -2.160 1.00 0.00 H new ATOM 0 H3' DG A 2 10.716 6.913 -1.371 1.00 0.00 H new ATOM 0 H2' DG A 2 8.533 7.592 -1.378 1.00 0.00 H new ATOM 0 H2'' DG A 2 8.543 7.254 -3.097 1.00 0.00 H new ATOM 0 H1' DG A 2 7.469 5.221 -2.843 1.00 0.00 H new ATOM 0 H8 DG A 2 7.309 6.719 0.714 1.00 0.00 H new ATOM 0 H1 DG A 2 1.728 6.057 -2.322 1.00 0.00 H new ATOM 0 H21 DG A 2 3.660 4.807 -4.925 1.00 0.00 H new ATOM 0 H22 DG A 2 2.052 5.216 -4.318 1.00 0.00 H new ATOM 65 P DA A 3 11.325 7.491 -4.008 1.00 0.00 P ATOM 66 OP1 DA A 3 12.795 7.489 -3.836 1.00 0.00 O ATOM 67 OP2 DA A 3 10.531 8.662 -3.574 1.00 0.00 O ATOM 68 O5' DA A 3 10.998 7.205 -5.561 1.00 0.00 O ATOM 69 C5' DA A 3 9.741 6.638 -5.955 1.00 0.00 C ATOM 70 C4' DA A 3 9.923 5.312 -6.689 1.00 0.00 C ATOM 71 O4' DA A 3 10.388 4.275 -5.777 1.00 0.00 O ATOM 72 C3' DA A 3 8.610 4.836 -7.299 1.00 0.00 C ATOM 73 O3' DA A 3 8.558 5.188 -8.683 1.00 0.00 O ATOM 74 C2' DA A 3 8.604 3.358 -7.110 1.00 0.00 C ATOM 75 C1' DA A 3 9.562 3.093 -5.962 1.00 0.00 C ATOM 76 N9 DA A 3 8.820 2.795 -4.718 1.00 0.00 N ATOM 77 C8 DA A 3 7.559 3.143 -4.359 1.00 0.00 C ATOM 78 N7 DA A 3 7.156 2.799 -3.183 1.00 0.00 N ATOM 79 C5 DA A 3 8.279 2.137 -2.682 1.00 0.00 C ATOM 80 C6 DA A 3 8.539 1.512 -1.458 1.00 0.00 C ATOM 81 N6 DA A 3 7.650 1.458 -0.467 1.00 0.00 N ATOM 82 N1 DA A 3 9.751 0.957 -1.292 1.00 0.00 N ATOM 83 C2 DA A 3 10.658 1.011 -2.269 1.00 0.00 C ATOM 84 N3 DA A 3 10.519 1.579 -3.466 1.00 0.00 N ATOM 85 C4 DA A 3 9.296 2.127 -3.609 1.00 0.00 C ATOM 0 H5' DA A 3 9.211 7.340 -6.599 1.00 0.00 H new ATOM 0 H5'' DA A 3 9.120 6.483 -5.073 1.00 0.00 H new ATOM 0 H4' DA A 3 10.659 5.485 -7.475 1.00 0.00 H new ATOM 0 H3' DA A 3 7.739 5.295 -6.831 1.00 0.00 H new ATOM 0 H2' DA A 3 7.603 2.996 -6.877 1.00 0.00 H new ATOM 0 H2'' DA A 3 8.926 2.845 -8.016 1.00 0.00 H new ATOM 0 H1' DA A 3 10.183 2.228 -6.196 1.00 0.00 H new ATOM 0 H8 DA A 3 6.916 3.688 -5.034 1.00 0.00 H new ATOM 0 H61 DA A 3 7.889 0.990 0.407 1.00 0.00 H new ATOM 0 H62 DA A 3 6.731 1.885 -0.583 1.00 0.00 H new ATOM 0 H2 DA A 3 11.610 0.543 -2.067 1.00 0.00 H new ATOM 97 P DG A 4 7.141 5.448 -9.402 1.00 0.00 P ATOM 98 OP1 DG A 4 7.312 5.226 -10.855 1.00 0.00 O ATOM 99 OP2 DG A 4 6.603 6.738 -8.913 1.00 0.00 O ATOM 100 O5' DG A 4 6.219 4.261 -8.815 1.00 0.00 O ATOM 101 C5' DG A 4 5.684 3.258 -9.685 1.00 0.00 C ATOM 102 C4' DG A 4 4.165 3.138 -9.553 1.00 0.00 C ATOM 103 O4' DG A 4 3.803 2.319 -8.407 1.00 0.00 O ATOM 104 C3' DG A 4 3.507 4.507 -9.374 1.00 0.00 C ATOM 105 O3' DG A 4 2.675 4.779 -10.506 1.00 0.00 O ATOM 106 C2' DG A 4 2.695 4.416 -8.122 1.00 0.00 C ATOM 107 C1' DG A 4 2.677 2.954 -7.758 1.00 0.00 C ATOM 108 N9 DG A 4 2.732 2.766 -6.297 1.00 0.00 N ATOM 109 C8 DG A 4 3.805 2.594 -5.487 1.00 0.00 C ATOM 110 N7 DG A 4 3.581 2.420 -4.228 1.00 0.00 N ATOM 111 C5 DG A 4 2.184 2.484 -4.176 1.00 0.00 C ATOM 112 C6 DG A 4 1.310 2.365 -3.064 1.00 0.00 C ATOM 113 O6 DG A 4 1.597 2.171 -1.887 1.00 0.00 O ATOM 114 N1 DG A 4 -0.019 2.491 -3.443 1.00 0.00 N ATOM 115 C2 DG A 4 -0.460 2.705 -4.732 1.00 0.00 C ATOM 116 N2 DG A 4 -1.779 2.810 -4.888 1.00 0.00 N ATOM 117 N3 DG A 4 0.354 2.817 -5.786 1.00 0.00 N ATOM 118 C4 DG A 4 1.658 2.698 -5.440 1.00 0.00 C ATOM 0 H5' DG A 4 6.145 2.297 -9.457 1.00 0.00 H new ATOM 0 H5'' DG A 4 5.941 3.498 -10.717 1.00 0.00 H new ATOM 0 H4' DG A 4 3.811 2.676 -10.475 1.00 0.00 H new ATOM 0 H3' DG A 4 4.237 5.313 -9.300 1.00 0.00 H new ATOM 0 H2' DG A 4 3.136 5.013 -7.324 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.685 4.793 -8.281 1.00 0.00 H new ATOM 0 H1' DG A 4 1.746 2.500 -8.097 1.00 0.00 H new ATOM 0 H8 DG A 4 4.811 2.602 -5.881 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.725 2.420 -2.711 1.00 0.00 H new ATOM 0 H21 DG A 4 -2.172 2.969 -5.816 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.396 2.732 -4.080 1.00 0.00 H new ATOM 130 P DG A 5 2.106 6.261 -10.763 1.00 0.00 P ATOM 131 OP1 DG A 5 2.114 6.515 -12.221 1.00 0.00 O ATOM 132 OP2 DG A 5 2.800 7.192 -9.845 1.00 0.00 O ATOM 133 O5' DG A 5 0.575 6.124 -10.282 1.00 0.00 O ATOM 134 C5' DG A 5 -0.163 4.929 -10.557 1.00 0.00 C ATOM 135 C4' DG A 5 -1.488 4.887 -9.793 1.00 0.00 C ATOM 136 O4' DG A 5 -1.285 4.457 -8.418 1.00 0.00 O ATOM 137 C3' DG A 5 -2.154 6.260 -9.760 1.00 0.00 C ATOM 138 O3' DG A 5 -3.382 6.196 -10.494 1.00 0.00 O ATOM 139 C2' DG A 5 -2.400 6.570 -8.318 1.00 0.00 C ATOM 140 C1' DG A 5 -2.105 5.296 -7.571 1.00 0.00 C ATOM 141 N9 DG A 5 -1.413 5.597 -6.318 1.00 0.00 N ATOM 142 C8 DG A 5 -0.136 5.985 -6.123 1.00 0.00 C ATOM 143 N7 DG A 5 0.248 6.191 -4.906 1.00 0.00 N ATOM 144 C5 DG A 5 -0.923 5.907 -4.190 1.00 0.00 C ATOM 145 C6 DG A 5 -1.172 5.944 -2.791 1.00 0.00 C ATOM 146 O6 DG A 5 -0.396 6.241 -1.885 1.00 0.00 O ATOM 147 N1 DG A 5 -2.485 5.586 -2.497 1.00 0.00 N ATOM 148 C2 DG A 5 -3.441 5.238 -3.429 1.00 0.00 C ATOM 149 N2 DG A 5 -4.648 4.942 -2.949 1.00 0.00 N ATOM 150 N3 DG A 5 -3.214 5.200 -4.743 1.00 0.00 N ATOM 151 C4 DG A 5 -1.943 5.543 -5.053 1.00 0.00 C ATOM 0 H5' DG A 5 0.439 4.061 -10.288 1.00 0.00 H new ATOM 0 H5'' DG A 5 -0.359 4.862 -11.627 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.128 4.178 -10.318 1.00 0.00 H new ATOM 0 H3' DG A 5 -1.537 7.036 -10.213 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.757 7.382 -7.977 1.00 0.00 H new ATOM 0 H2'' DG A 5 -3.430 6.889 -8.156 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.032 4.778 -7.324 1.00 0.00 H new ATOM 0 H8 DG A 5 0.541 6.119 -6.954 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.762 5.581 -1.515 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.399 4.677 -3.586 1.00 0.00 H new ATOM 0 H22 DG A 5 -4.821 4.981 -1.944 1.00 0.00 H new ATOM 163 P DA A 6 -4.165 7.532 -10.929 1.00 0.00 P ATOM 164 OP1 DA A 6 -3.841 7.820 -12.344 1.00 0.00 O ATOM 165 OP2 DA A 6 -3.935 8.563 -9.893 1.00 0.00 O ATOM 166 O5' DA A 6 -5.710 7.069 -10.847 1.00 0.00 O ATOM 167 C5' DA A 6 -6.291 6.668 -9.599 1.00 0.00 C ATOM 168 C4' DA A 6 -7.056 5.350 -9.726 1.00 0.00 C ATOM 169 O4' DA A 6 -6.213 4.312 -10.305 1.00 0.00 O ATOM 170 C3' DA A 6 -7.529 4.851 -8.368 1.00 0.00 C ATOM 171 O3' DA A 6 -8.889 5.228 -8.154 1.00 0.00 O ATOM 172 C2' DA A 6 -7.380 3.367 -8.421 1.00 0.00 C ATOM 173 C1' DA A 6 -6.363 3.100 -9.515 1.00 0.00 C ATOM 174 N9 DA A 6 -5.054 2.698 -8.950 1.00 0.00 N ATOM 175 C8 DA A 6 -4.573 2.809 -7.684 1.00 0.00 C ATOM 176 N7 DA A 6 -3.369 2.403 -7.463 1.00 0.00 N ATOM 177 C5 DA A 6 -2.983 1.964 -8.730 1.00 0.00 C ATOM 178 C6 DA A 6 -1.798 1.403 -9.214 1.00 0.00 C ATOM 179 N6 DA A 6 -0.730 1.187 -8.446 1.00 0.00 N ATOM 180 N1 DA A 6 -1.751 1.083 -10.520 1.00 0.00 N ATOM 181 C2 DA A 6 -2.808 1.300 -11.305 1.00 0.00 C ATOM 182 N3 DA A 6 -3.979 1.825 -10.952 1.00 0.00 N ATOM 183 C4 DA A 6 -4.001 2.137 -9.641 1.00 0.00 C ATOM 0 H5' DA A 6 -6.966 7.447 -9.245 1.00 0.00 H new ATOM 0 H5'' DA A 6 -5.506 6.562 -8.850 1.00 0.00 H new ATOM 0 H4' DA A 6 -7.912 5.549 -10.370 1.00 0.00 H new ATOM 0 H3' DA A 6 -6.955 5.277 -7.545 1.00 0.00 H new ATOM 0 H2' DA A 6 -7.039 2.972 -7.464 1.00 0.00 H new ATOM 0 H2'' DA A 6 -8.332 2.885 -8.644 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.716 2.278 -10.138 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.178 3.223 -6.891 1.00 0.00 H new ATOM 0 H61 DA A 6 0.112 0.774 -8.848 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.755 1.434 -7.457 1.00 0.00 H new ATOM 0 H2 DA A 6 -2.701 1.018 -12.342 1.00 0.00 H new ATOM 195 P DG A 7 -9.520 5.136 -6.677 1.00 0.00 P ATOM 196 OP1 DG A 7 -10.942 4.746 -6.802 1.00 0.00 O ATOM 197 OP2 DG A 7 -9.153 6.365 -5.938 1.00 0.00 O ATOM 198 O5' DG A 7 -8.712 3.897 -6.032 1.00 0.00 O ATOM 199 C5' DG A 7 -9.397 2.697 -5.662 1.00 0.00 C ATOM 200 C4' DG A 7 -9.266 2.408 -4.168 1.00 0.00 C ATOM 201 O4' DG A 7 -8.007 1.743 -3.872 1.00 0.00 O ATOM 202 C3' DG A 7 -9.324 3.696 -3.345 1.00 0.00 C ATOM 203 O3' DG A 7 -10.507 3.691 -2.541 1.00 0.00 O ATOM 204 C2' DG A 7 -8.089 3.691 -2.491 1.00 0.00 C ATOM 205 C1' DG A 7 -7.494 2.311 -2.645 1.00 0.00 C ATOM 206 N9 DG A 7 -6.023 2.373 -2.664 1.00 0.00 N ATOM 207 C8 DG A 7 -5.167 2.381 -3.715 1.00 0.00 C ATOM 208 N7 DG A 7 -3.902 2.430 -3.455 1.00 0.00 N ATOM 209 C5 DG A 7 -3.900 2.458 -2.057 1.00 0.00 C ATOM 210 C6 DG A 7 -2.810 2.516 -1.148 1.00 0.00 C ATOM 211 O6 DG A 7 -1.607 2.551 -1.401 1.00 0.00 O ATOM 212 N1 DG A 7 -3.246 2.530 0.171 1.00 0.00 N ATOM 213 C2 DG A 7 -4.566 2.494 0.572 1.00 0.00 C ATOM 214 N2 DG A 7 -4.786 2.525 1.885 1.00 0.00 N ATOM 215 N3 DG A 7 -5.597 2.440 -0.276 1.00 0.00 N ATOM 216 C4 DG A 7 -5.197 2.426 -1.567 1.00 0.00 C ATOM 0 H5' DG A 7 -8.995 1.859 -6.231 1.00 0.00 H new ATOM 0 H5'' DG A 7 -10.451 2.784 -5.924 1.00 0.00 H new ATOM 0 H4' DG A 7 -10.102 1.761 -3.901 1.00 0.00 H new ATOM 0 H3' DG A 7 -9.359 4.589 -3.969 1.00 0.00 H new ATOM 0 H2' DG A 7 -7.386 4.459 -2.814 1.00 0.00 H new ATOM 0 H2'' DG A 7 -8.332 3.899 -1.449 1.00 0.00 H new ATOM 0 H1' DG A 7 -7.773 1.684 -1.798 1.00 0.00 H new ATOM 0 H8 DG A 7 -5.529 2.348 -4.732 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.534 2.570 0.901 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.741 2.501 2.243 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.000 2.573 2.533 1.00 0.00 H new ATOM 228 P DG A 8 -11.017 5.043 -1.834 1.00 0.00 P ATOM 229 OP1 DG A 8 -12.484 4.951 -1.663 1.00 0.00 O ATOM 230 OP2 DG A 8 -10.427 6.194 -2.552 1.00 0.00 O ATOM 231 O5' DG A 8 -10.332 4.951 -0.379 1.00 0.00 O ATOM 232 C5' DG A 8 -10.491 3.776 0.422 1.00 0.00 C ATOM 233 C4' DG A 8 -9.895 3.957 1.817 1.00 0.00 C ATOM 234 O4' DG A 8 -8.449 3.769 1.795 1.00 0.00 O ATOM 235 C3' DG A 8 -10.176 5.357 2.360 1.00 0.00 C ATOM 236 O3' DG A 8 -10.803 5.228 3.639 1.00 0.00 O ATOM 237 C2' DG A 8 -8.843 6.019 2.478 1.00 0.00 C ATOM 238 C1' DG A 8 -7.847 4.893 2.485 1.00 0.00 C ATOM 239 N9 DG A 8 -6.601 5.308 1.840 1.00 0.00 N ATOM 240 C8 DG A 8 -6.419 5.894 0.643 1.00 0.00 C ATOM 241 N7 DG A 8 -5.208 6.175 0.290 1.00 0.00 N ATOM 242 C5 DG A 8 -4.480 5.720 1.399 1.00 0.00 C ATOM 243 C6 DG A 8 -3.080 5.740 1.646 1.00 0.00 C ATOM 244 O6 DG A 8 -2.182 6.166 0.921 1.00 0.00 O ATOM 245 N1 DG A 8 -2.774 5.186 2.886 1.00 0.00 N ATOM 246 C2 DG A 8 -3.696 4.679 3.779 1.00 0.00 C ATOM 247 N2 DG A 8 -3.209 4.205 4.925 1.00 0.00 N ATOM 248 N3 DG A 8 -5.011 4.656 3.552 1.00 0.00 N ATOM 249 C4 DG A 8 -5.332 5.189 2.352 1.00 0.00 C ATOM 0 H5' DG A 8 -10.011 2.931 -0.072 1.00 0.00 H new ATOM 0 H5'' DG A 8 -11.551 3.535 0.508 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.362 3.209 2.458 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.838 5.941 1.720 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.665 6.698 1.644 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.776 6.611 3.391 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.596 4.608 3.507 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.256 6.122 -0.001 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.791 5.152 3.156 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.840 3.817 5.626 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.205 4.230 5.102 1.00 0.00 H new ATOM 261 P DA A 9 -11.519 6.479 4.351 1.00 0.00 P ATOM 262 OP1 DA A 9 -12.984 6.313 4.220 1.00 0.00 O ATOM 263 OP2 DA A 9 -10.870 7.720 3.874 1.00 0.00 O ATOM 264 O5' DA A 9 -11.121 6.260 5.899 1.00 0.00 O ATOM 265 C5' DA A 9 -9.856 5.685 6.257 1.00 0.00 C ATOM 266 C4' DA A 9 -10.022 4.317 6.922 1.00 0.00 C ATOM 267 O4' DA A 9 -10.606 3.357 5.996 1.00 0.00 O ATOM 268 C3' DA A 9 -8.680 3.756 7.374 1.00 0.00 C ATOM 269 O3' DA A 9 -8.463 4.048 8.756 1.00 0.00 O ATOM 270 C2' DA A 9 -8.763 2.289 7.125 1.00 0.00 C ATOM 271 C1' DA A 9 -9.850 2.117 6.087 1.00 0.00 C ATOM 272 N9 DA A 9 -9.252 1.780 4.782 1.00 0.00 N ATOM 273 C8 DA A 9 -8.058 2.156 4.268 1.00 0.00 C ATOM 274 N7 DA A 9 -7.756 1.741 3.087 1.00 0.00 N ATOM 275 C5 DA A 9 -8.885 0.986 2.759 1.00 0.00 C ATOM 276 C6 DA A 9 -9.230 0.252 1.624 1.00 0.00 C ATOM 277 N6 DA A 9 -8.441 0.156 0.555 1.00 0.00 N ATOM 278 N1 DA A 9 -10.419 -0.376 1.629 1.00 0.00 N ATOM 279 C2 DA A 9 -11.225 -0.286 2.689 1.00 0.00 C ATOM 280 N3 DA A 9 -10.999 0.384 3.816 1.00 0.00 N ATOM 281 C4 DA A 9 -9.802 1.003 3.786 1.00 0.00 C ATOM 0 H5' DA A 9 -9.330 6.357 6.935 1.00 0.00 H new ATOM 0 H5'' DA A 9 -9.238 5.583 5.365 1.00 0.00 H new ATOM 0 H4' DA A 9 -10.676 4.465 7.782 1.00 0.00 H new ATOM 0 H3' DA A 9 -7.841 4.196 6.836 1.00 0.00 H new ATOM 0 H2' DA A 9 -7.811 1.897 6.766 1.00 0.00 H new ATOM 0 H2'' DA A 9 -9.005 1.749 8.040 1.00 0.00 H new ATOM 0 H1' DA A 9 -10.517 1.304 6.375 1.00 0.00 H new ATOM 0 H8 DA A 9 -7.381 2.783 4.829 1.00 0.00 H new ATOM 0 H61 DA A 9 -8.739 -0.394 -0.251 1.00 0.00 H new ATOM 0 H62 DA A 9 -7.539 0.632 0.543 1.00 0.00 H new ATOM 0 H2 DA A 9 -12.164 -0.815 2.625 1.00 0.00 H new ATOM 293 P DG A 10 -6.985 4.414 9.287 1.00 0.00 P ATOM 294 OP1 DG A 10 -6.954 4.201 10.751 1.00 0.00 O ATOM 295 OP2 DG A 10 -6.604 5.728 8.724 1.00 0.00 O ATOM 296 O5' DG A 10 -6.068 3.283 8.593 1.00 0.00 O ATOM 297 C5' DG A 10 -5.984 1.970 9.157 1.00 0.00 C ATOM 298 C4' DG A 10 -4.561 1.409 9.098 1.00 0.00 C ATOM 299 O4' DG A 10 -4.263 0.861 7.778 1.00 0.00 O ATOM 300 C3' DG A 10 -3.514 2.484 9.400 1.00 0.00 C ATOM 301 O3' DG A 10 -2.723 2.046 10.507 1.00 0.00 O ATOM 302 C2' DG A 10 -2.683 2.591 8.164 1.00 0.00 C ATOM 303 C1' DG A 10 -2.938 1.316 7.413 1.00 0.00 C ATOM 304 N9 DG A 10 -2.809 1.539 5.966 1.00 0.00 N ATOM 305 C8 DG A 10 -3.747 1.499 4.992 1.00 0.00 C ATOM 306 N7 DG A 10 -3.365 1.747 3.783 1.00 0.00 N ATOM 307 C5 DG A 10 -1.998 1.988 3.961 1.00 0.00 C ATOM 308 C6 DG A 10 -0.999 2.325 3.009 1.00 0.00 C ATOM 309 O6 DG A 10 -1.123 2.477 1.795 1.00 0.00 O ATOM 310 N1 DG A 10 0.244 2.485 3.610 1.00 0.00 N ATOM 311 C2 DG A 10 0.500 2.339 4.957 1.00 0.00 C ATOM 312 N2 DG A 10 1.761 2.533 5.342 1.00 0.00 N ATOM 313 N3 DG A 10 -0.433 2.022 5.858 1.00 0.00 N ATOM 314 C4 DG A 10 -1.653 1.863 5.296 1.00 0.00 C ATOM 0 H5' DG A 10 -6.659 1.302 8.622 1.00 0.00 H new ATOM 0 H5'' DG A 10 -6.319 1.999 10.194 1.00 0.00 H new ATOM 0 H4' DG A 10 -4.514 0.625 9.854 1.00 0.00 H new ATOM 0 H3' DG A 10 -3.952 3.448 9.658 1.00 0.00 H new ATOM 0 H2' DG A 10 -2.966 3.461 7.572 1.00 0.00 H new ATOM 0 H2'' DG A 10 -1.626 2.701 8.407 1.00 0.00 H new ATOM 0 H1' DG A 10 -2.206 0.551 7.672 1.00 0.00 H new ATOM 0 H8 DG A 10 -4.778 1.268 5.217 1.00 0.00 H new ATOM 0 H1 DG A 10 1.029 2.730 3.007 1.00 0.00 H new ATOM 0 H21 DG A 10 2.014 2.440 6.326 1.00 0.00 H new ATOM 0 H22 DG A 10 2.473 2.775 4.653 1.00 0.00 H new ATOM 326 P DG A 11 -1.754 3.064 11.282 1.00 0.00 P ATOM 327 OP1 DG A 11 -2.355 3.365 12.601 1.00 0.00 O ATOM 328 OP2 DG A 11 -1.406 4.168 10.360 1.00 0.00 O ATOM 329 O5' DG A 11 -0.432 2.168 11.521 1.00 0.00 O ATOM 330 C5' DG A 11 0.473 1.887 10.444 1.00 0.00 C ATOM 331 C4' DG A 11 1.733 2.736 10.522 1.00 0.00 C ATOM 332 O4' DG A 11 2.041 3.245 9.202 1.00 0.00 O ATOM 333 C3' DG A 11 1.527 3.920 11.460 1.00 0.00 C ATOM 334 O3' DG A 11 2.607 3.970 12.399 1.00 0.00 O ATOM 335 C2' DG A 11 1.510 5.118 10.576 1.00 0.00 C ATOM 336 C1' DG A 11 2.170 4.674 9.295 1.00 0.00 C ATOM 337 N9 DG A 11 1.551 5.309 8.117 1.00 0.00 N ATOM 338 C8 DG A 11 0.239 5.480 7.815 1.00 0.00 C ATOM 339 N7 DG A 11 -0.047 6.020 6.677 1.00 0.00 N ATOM 340 C5 DG A 11 1.226 6.240 6.138 1.00 0.00 C ATOM 341 C6 DG A 11 1.600 6.811 4.891 1.00 0.00 C ATOM 342 O6 DG A 11 0.872 7.242 4.001 1.00 0.00 O ATOM 343 N1 DG A 11 2.981 6.844 4.740 1.00 0.00 N ATOM 344 C2 DG A 11 3.895 6.390 5.672 1.00 0.00 C ATOM 345 N2 DG A 11 5.181 6.513 5.344 1.00 0.00 N ATOM 346 N3 DG A 11 3.551 5.854 6.847 1.00 0.00 N ATOM 347 C4 DG A 11 2.210 5.809 7.016 1.00 0.00 C ATOM 0 H5' DG A 11 -0.028 2.068 9.493 1.00 0.00 H new ATOM 0 H5'' DG A 11 0.745 0.832 10.465 1.00 0.00 H new ATOM 0 H4' DG A 11 2.547 2.117 10.899 1.00 0.00 H new ATOM 0 H3' DG A 11 0.607 3.854 12.040 1.00 0.00 H new ATOM 0 H2' DG A 11 0.491 5.460 10.396 1.00 0.00 H new ATOM 0 H2'' DG A 11 2.050 5.949 11.029 1.00 0.00 H new ATOM 0 H1' DG A 11 3.219 4.971 9.311 1.00 0.00 H new ATOM 0 H8 DG A 11 -0.538 5.176 8.501 1.00 0.00 H new ATOM 0 H1 DG A 11 3.349 7.234 3.873 1.00 0.00 H new ATOM 0 H21 DG A 11 5.905 6.196 5.990 1.00 0.00 H new ATOM 0 H22 DG A 11 5.442 6.924 4.447 1.00 0.00 H new ATOM 359 P DA A 12 2.361 3.604 13.951 1.00 0.00 P ATOM 360 OP1 DA A 12 1.091 4.233 14.378 1.00 0.00 O ATOM 361 OP2 DA A 12 3.609 3.886 14.696 1.00 0.00 O ATOM 362 O5' DA A 12 2.145 2.007 13.915 1.00 0.00 O ATOM 363 C5' DA A 12 0.835 1.448 13.764 1.00 0.00 C ATOM 364 C4' DA A 12 0.845 0.241 12.824 1.00 0.00 C ATOM 365 O4' DA A 12 1.801 0.483 11.761 1.00 0.00 O ATOM 366 C3' DA A 12 1.256 -1.042 13.539 1.00 0.00 C ATOM 367 O3' DA A 12 0.406 -2.101 13.080 1.00 0.00 O ATOM 368 C2' DA A 12 2.666 -1.286 13.105 1.00 0.00 C ATOM 369 C1' DA A 12 2.795 -0.556 11.784 1.00 0.00 C ATOM 370 N9 DA A 12 4.121 0.047 11.644 1.00 0.00 N ATOM 371 C8 DA A 12 4.842 0.709 12.563 1.00 0.00 C ATOM 372 N7 DA A 12 5.978 1.202 12.196 1.00 0.00 N ATOM 373 C5 DA A 12 6.020 0.821 10.850 1.00 0.00 C ATOM 374 C6 DA A 12 6.962 1.021 9.835 1.00 0.00 C ATOM 375 N6 DA A 12 8.104 1.683 10.018 1.00 0.00 N ATOM 376 N1 DA A 12 6.679 0.511 8.622 1.00 0.00 N ATOM 377 C2 DA A 12 5.540 -0.155 8.419 1.00 0.00 C ATOM 378 N3 DA A 12 4.585 -0.403 9.306 1.00 0.00 N ATOM 379 C4 DA A 12 4.890 0.116 10.509 1.00 0.00 C ATOM 0 H5' DA A 12 0.157 2.208 13.375 1.00 0.00 H new ATOM 0 H5'' DA A 12 0.452 1.148 14.739 1.00 0.00 H new ATOM 0 H4' DA A 12 -0.167 0.115 12.440 1.00 0.00 H new ATOM 0 H3' DA A 12 1.175 -0.981 14.624 1.00 0.00 H new ATOM 0 H2' DA A 12 3.377 -0.906 13.838 1.00 0.00 H new ATOM 0 H2'' DA A 12 2.866 -2.351 12.990 1.00 0.00 H new ATOM 0 H1' DA A 12 2.655 -1.260 10.964 1.00 0.00 H new ATOM 0 H8 DA A 12 4.484 0.825 13.575 1.00 0.00 H new ATOM 0 H61 DA A 12 8.756 1.800 9.242 1.00 0.00 H new ATOM 0 H62 DA A 12 8.326 2.073 10.934 1.00 0.00 H new ATOM 0 H2 DA A 12 5.378 -0.534 7.421 1.00 0.00 H new ATOM 391 P DG A 13 -1.139 -2.185 13.528 1.00 0.00 P ATOM 392 OP1 DG A 13 -1.616 -0.810 13.801 1.00 0.00 O ATOM 393 OP2 DG A 13 -1.263 -3.229 14.569 1.00 0.00 O ATOM 394 O5' DG A 13 -1.870 -2.717 12.187 1.00 0.00 O ATOM 395 C5' DG A 13 -1.577 -2.147 10.901 1.00 0.00 C ATOM 396 C4' DG A 13 -2.812 -2.104 10.002 1.00 0.00 C ATOM 397 O4' DG A 13 -2.541 -1.332 8.801 1.00 0.00 O ATOM 398 C3' DG A 13 -3.245 -3.504 9.581 1.00 0.00 C ATOM 399 O3' DG A 13 -4.544 -3.769 10.117 1.00 0.00 O ATOM 400 C2' DG A 13 -3.265 -3.513 8.089 1.00 0.00 C ATOM 401 C1' DG A 13 -2.966 -2.103 7.649 1.00 0.00 C ATOM 402 N9 DG A 13 -1.937 -2.081 6.592 1.00 0.00 N ATOM 403 C8 DG A 13 -0.617 -2.395 6.654 1.00 0.00 C ATOM 404 N7 DG A 13 0.074 -2.286 5.569 1.00 0.00 N ATOM 405 C5 DG A 13 -0.889 -1.843 4.659 1.00 0.00 C ATOM 406 C6 DG A 13 -0.762 -1.531 3.278 1.00 0.00 C ATOM 407 O6 DG A 13 0.244 -1.587 2.573 1.00 0.00 O ATOM 408 N1 DG A 13 -1.973 -1.121 2.734 1.00 0.00 N ATOM 409 C2 DG A 13 -3.163 -1.022 3.427 1.00 0.00 C ATOM 410 N2 DG A 13 -4.219 -0.605 2.730 1.00 0.00 N ATOM 411 N3 DG A 13 -3.291 -1.314 4.725 1.00 0.00 N ATOM 412 C4 DG A 13 -2.123 -1.715 5.277 1.00 0.00 C ATOM 0 H5' DG A 13 -0.795 -2.730 10.415 1.00 0.00 H new ATOM 0 H5'' DG A 13 -1.188 -1.137 11.032 1.00 0.00 H new ATOM 0 H4' DG A 13 -3.610 -1.638 10.580 1.00 0.00 H new ATOM 0 H3' DG A 13 -2.569 -4.275 9.951 1.00 0.00 H new ATOM 0 H2' DG A 13 -2.523 -4.208 7.695 1.00 0.00 H new ATOM 0 H2'' DG A 13 -4.236 -3.838 7.716 1.00 0.00 H new ATOM 0 H1' DG A 13 -3.868 -1.660 7.228 1.00 0.00 H new ATOM 0 H8 DG A 13 -0.162 -2.724 7.577 1.00 0.00 H new ATOM 0 H1 DG A 13 -1.984 -0.874 1.745 1.00 0.00 H new ATOM 0 H21 DG A 13 -5.127 -0.511 3.186 1.00 0.00 H new ATOM 0 H22 DG A 13 -4.120 -0.379 1.740 1.00 0.00 H new ATOM 424 P DG A 14 -5.130 -5.266 10.145 1.00 0.00 P ATOM 425 OP1 DG A 14 -6.089 -5.368 11.269 1.00 0.00 O ATOM 426 OP2 DG A 14 -3.995 -6.211 10.054 1.00 0.00 O ATOM 427 O5' DG A 14 -5.959 -5.337 8.767 1.00 0.00 O ATOM 428 C5' DG A 14 -6.905 -4.317 8.432 1.00 0.00 C ATOM 429 C4' DG A 14 -7.443 -4.504 7.015 1.00 0.00 C ATOM 430 O4' DG A 14 -6.492 -3.998 6.028 1.00 0.00 O ATOM 431 C3' DG A 14 -7.675 -5.985 6.720 1.00 0.00 C ATOM 432 O3' DG A 14 -8.981 -6.140 6.154 1.00 0.00 O ATOM 433 C2' DG A 14 -6.615 -6.355 5.736 1.00 0.00 C ATOM 434 C1' DG A 14 -6.239 -5.061 5.076 1.00 0.00 C ATOM 435 N9 DG A 14 -4.834 -5.086 4.654 1.00 0.00 N ATOM 436 C8 DG A 14 -3.727 -5.308 5.388 1.00 0.00 C ATOM 437 N7 DG A 14 -2.589 -5.298 4.776 1.00 0.00 N ATOM 438 C5 DG A 14 -2.980 -5.036 3.456 1.00 0.00 C ATOM 439 C6 DG A 14 -2.194 -4.901 2.279 1.00 0.00 C ATOM 440 O6 DG A 14 -0.974 -4.984 2.161 1.00 0.00 O ATOM 441 N1 DG A 14 -2.988 -4.642 1.164 1.00 0.00 N ATOM 442 C2 DG A 14 -4.363 -4.528 1.177 1.00 0.00 C ATOM 443 N2 DG A 14 -4.946 -4.288 0.003 1.00 0.00 N ATOM 444 N3 DG A 14 -5.106 -4.653 2.280 1.00 0.00 N ATOM 445 C4 DG A 14 -4.357 -4.905 3.377 1.00 0.00 C ATOM 0 H5' DG A 14 -6.433 -3.338 8.518 1.00 0.00 H new ATOM 0 H5'' DG A 14 -7.731 -4.337 9.143 1.00 0.00 H new ATOM 0 H4' DG A 14 -8.381 -3.953 6.950 1.00 0.00 H new ATOM 0 H3' DG A 14 -7.623 -6.616 7.607 1.00 0.00 H new ATOM 0 H2' DG A 14 -5.757 -6.811 6.231 1.00 0.00 H new ATOM 0 H2'' DG A 14 -6.985 -7.078 5.009 1.00 0.00 H new ATOM 0 H1' DG A 14 -6.831 -4.899 4.176 1.00 0.00 H new ATOM 0 H8 DG A 14 -3.788 -5.488 6.451 1.00 0.00 H new ATOM 0 H1 DG A 14 -2.516 -4.528 0.267 1.00 0.00 H new ATOM 0 H21 DG A 14 -5.960 -4.193 -0.053 1.00 0.00 H new ATOM 0 H22 DG A 14 -4.378 -4.199 -0.840 1.00 0.00 H new ATOM 457 P DA A 15 -9.666 -7.591 6.038 1.00 0.00 P ATOM 458 OP1 DA A 15 -10.708 -7.697 7.083 1.00 0.00 O ATOM 459 OP2 DA A 15 -8.593 -8.606 5.957 1.00 0.00 O ATOM 460 O5' DA A 15 -10.396 -7.512 4.602 1.00 0.00 O ATOM 461 C5' DA A 15 -9.870 -6.684 3.555 1.00 0.00 C ATOM 462 C4' DA A 15 -10.774 -5.484 3.275 1.00 0.00 C ATOM 463 O4' DA A 15 -10.669 -4.496 4.341 1.00 0.00 O ATOM 464 C3' DA A 15 -10.389 -4.796 1.972 1.00 0.00 C ATOM 465 O3' DA A 15 -11.245 -5.238 0.916 1.00 0.00 O ATOM 466 C2' DA A 15 -10.555 -3.335 2.232 1.00 0.00 C ATOM 467 C1' DA A 15 -10.487 -3.184 3.738 1.00 0.00 C ATOM 468 N9 DA A 15 -9.188 -2.612 4.152 1.00 0.00 N ATOM 469 C8 DA A 15 -7.967 -2.715 3.569 1.00 0.00 C ATOM 470 N7 DA A 15 -6.974 -2.142 4.158 1.00 0.00 N ATOM 471 C5 DA A 15 -7.594 -1.582 5.277 1.00 0.00 C ATOM 472 C6 DA A 15 -7.110 -0.823 6.344 1.00 0.00 C ATOM 473 N6 DA A 15 -5.830 -0.483 6.470 1.00 0.00 N ATOM 474 N1 DA A 15 -7.992 -0.431 7.278 1.00 0.00 N ATOM 475 C2 DA A 15 -9.278 -0.765 7.172 1.00 0.00 C ATOM 476 N3 DA A 15 -9.846 -1.482 6.206 1.00 0.00 N ATOM 477 C4 DA A 15 -8.941 -1.862 5.282 1.00 0.00 C ATOM 0 H5' DA A 15 -9.757 -7.275 2.646 1.00 0.00 H new ATOM 0 H5'' DA A 15 -8.876 -6.334 3.833 1.00 0.00 H new ATOM 0 H4' DA A 15 -11.792 -5.867 3.209 1.00 0.00 H new ATOM 0 H3' DA A 15 -9.369 -5.026 1.664 1.00 0.00 H new ATOM 0 H2' DA A 15 -9.770 -2.757 1.743 1.00 0.00 H new ATOM 0 H2'' DA A 15 -11.507 -2.972 1.843 1.00 0.00 H new ATOM 0 H1' DA A 15 -11.272 -2.504 4.070 1.00 0.00 H new ATOM 0 H8 DA A 15 -7.832 -3.257 2.645 1.00 0.00 H new ATOM 0 H61 DA A 15 -5.526 0.073 7.269 1.00 0.00 H new ATOM 0 H62 DA A 15 -5.152 -0.779 5.767 1.00 0.00 H new ATOM 0 H2 DA A 15 -9.931 -0.415 7.957 1.00 0.00 H new ATOM 489 P DG A 16 -10.844 -4.950 -0.616 1.00 0.00 P ATOM 490 OP1 DG A 16 -12.075 -4.600 -1.360 1.00 0.00 O ATOM 491 OP2 DG A 16 -9.986 -6.059 -1.088 1.00 0.00 O ATOM 492 O5' DG A 16 -9.933 -3.624 -0.494 1.00 0.00 O ATOM 493 C5' DG A 16 -10.382 -2.380 -1.041 1.00 0.00 C ATOM 494 C4' DG A 16 -9.426 -1.858 -2.112 1.00 0.00 C ATOM 495 O4' DG A 16 -8.301 -1.167 -1.509 1.00 0.00 O ATOM 496 C3' DG A 16 -8.874 -2.998 -2.973 1.00 0.00 C ATOM 497 O3' DG A 16 -9.394 -2.882 -4.299 1.00 0.00 O ATOM 498 C2' DG A 16 -7.384 -2.838 -2.952 1.00 0.00 C ATOM 499 C1' DG A 16 -7.118 -1.520 -2.259 1.00 0.00 C ATOM 500 N9 DG A 16 -5.952 -1.631 -1.365 1.00 0.00 N ATOM 501 C8 DG A 16 -5.903 -1.687 -0.011 1.00 0.00 C ATOM 502 N7 DG A 16 -4.743 -1.803 0.541 1.00 0.00 N ATOM 503 C5 DG A 16 -3.899 -1.829 -0.573 1.00 0.00 C ATOM 504 C6 DG A 16 -2.487 -1.943 -0.643 1.00 0.00 C ATOM 505 O6 DG A 16 -1.683 -2.046 0.282 1.00 0.00 O ATOM 506 N1 DG A 16 -2.039 -1.930 -1.957 1.00 0.00 N ATOM 507 C2 DG A 16 -2.847 -1.819 -3.071 1.00 0.00 C ATOM 508 N2 DG A 16 -2.229 -1.817 -4.250 1.00 0.00 N ATOM 509 N3 DG A 16 -4.176 -1.712 -3.014 1.00 0.00 N ATOM 510 C4 DG A 16 -4.635 -1.723 -1.744 1.00 0.00 C ATOM 0 H5' DG A 16 -10.473 -1.643 -0.243 1.00 0.00 H new ATOM 0 H5'' DG A 16 -11.375 -2.508 -1.471 1.00 0.00 H new ATOM 0 H4' DG A 16 -9.999 -1.172 -2.736 1.00 0.00 H new ATOM 0 H3' DG A 16 -9.159 -3.982 -2.602 1.00 0.00 H new ATOM 0 H2' DG A 16 -6.910 -3.662 -2.419 1.00 0.00 H new ATOM 0 H2'' DG A 16 -6.977 -2.837 -3.963 1.00 0.00 H new ATOM 0 H1' DG A 16 -6.894 -0.747 -2.994 1.00 0.00 H new ATOM 0 H8 DG A 16 -6.803 -1.636 0.584 1.00 0.00 H new ATOM 0 H1 DG A 16 -1.034 -2.009 -2.112 1.00 0.00 H new ATOM 0 H21 DG A 16 -2.772 -1.738 -5.110 1.00 0.00 H new ATOM 0 H22 DG A 16 -1.213 -1.895 -4.293 1.00 0.00 H new ATOM 522 P DG A 17 -9.769 -4.200 -5.145 1.00 0.00 P ATOM 523 OP1 DG A 17 -10.975 -3.905 -5.950 1.00 0.00 O ATOM 524 OP2 DG A 17 -9.760 -5.359 -4.225 1.00 0.00 O ATOM 525 O5' DG A 17 -8.517 -4.337 -6.144 1.00 0.00 O ATOM 526 C5' DG A 17 -8.101 -3.224 -6.936 1.00 0.00 C ATOM 527 C4' DG A 17 -6.715 -3.446 -7.537 1.00 0.00 C ATOM 528 O4' DG A 17 -5.670 -3.163 -6.559 1.00 0.00 O ATOM 529 C3' DG A 17 -6.539 -4.885 -8.008 1.00 0.00 C ATOM 530 O3' DG A 17 -6.137 -4.863 -9.381 1.00 0.00 O ATOM 531 C2' DG A 17 -5.467 -5.458 -7.147 1.00 0.00 C ATOM 532 C1' DG A 17 -4.740 -4.272 -6.584 1.00 0.00 C ATOM 533 N9 DG A 17 -4.218 -4.576 -5.250 1.00 0.00 N ATOM 534 C8 DG A 17 -4.859 -5.072 -4.176 1.00 0.00 C ATOM 535 N7 DG A 17 -4.162 -5.287 -3.108 1.00 0.00 N ATOM 536 C5 DG A 17 -2.884 -4.884 -3.519 1.00 0.00 C ATOM 537 C6 DG A 17 -1.653 -4.871 -2.807 1.00 0.00 C ATOM 538 O6 DG A 17 -1.438 -5.218 -1.648 1.00 0.00 O ATOM 539 N1 DG A 17 -0.611 -4.392 -3.599 1.00 0.00 N ATOM 540 C2 DG A 17 -0.736 -3.976 -4.908 1.00 0.00 C ATOM 541 N2 DG A 17 0.377 -3.549 -5.503 1.00 0.00 N ATOM 542 N3 DG A 17 -1.889 -3.985 -5.582 1.00 0.00 N ATOM 543 C4 DG A 17 -2.915 -4.448 -4.833 1.00 0.00 C ATOM 0 H5' DG A 17 -8.092 -2.324 -6.322 1.00 0.00 H new ATOM 0 H5'' DG A 17 -8.822 -3.057 -7.736 1.00 0.00 H new ATOM 0 H4' DG A 17 -6.630 -2.767 -8.385 1.00 0.00 H new ATOM 0 H3' DG A 17 -7.451 -5.477 -7.933 1.00 0.00 H new ATOM 0 H2' DG A 17 -5.887 -6.076 -6.353 1.00 0.00 H new ATOM 0 H2'' DG A 17 -4.796 -6.094 -7.724 1.00 0.00 H new ATOM 0 H1' DG A 17 -3.880 -4.013 -7.201 1.00 0.00 H new ATOM 0 H8 DG A 17 -5.918 -5.283 -4.205 1.00 0.00 H new ATOM 0 H1 DG A 17 0.317 -4.345 -3.178 1.00 0.00 H new ATOM 0 H21 DG A 17 0.347 -3.229 -6.471 1.00 0.00 H new ATOM 0 H22 DG A 17 1.259 -3.542 -4.991 1.00 0.00 H new ATOM 555 P DA A 18 -6.166 -6.192 -10.284 1.00 0.00 P ATOM 556 OP1 DA A 18 -7.351 -6.127 -11.171 1.00 0.00 O ATOM 557 OP2 DA A 18 -5.968 -7.361 -9.398 1.00 0.00 O ATOM 558 O5' DA A 18 -4.844 -6.015 -11.193 1.00 0.00 O ATOM 559 C5' DA A 18 -3.669 -5.378 -10.667 1.00 0.00 C ATOM 560 C4' DA A 18 -3.412 -4.024 -11.332 1.00 0.00 C ATOM 561 O4' DA A 18 -4.375 -3.030 -10.875 1.00 0.00 O ATOM 562 C3' DA A 18 -2.021 -3.500 -11.003 1.00 0.00 C ATOM 563 O3' DA A 18 -1.116 -3.813 -12.062 1.00 0.00 O ATOM 564 C2' DA A 18 -2.185 -2.023 -10.846 1.00 0.00 C ATOM 565 C1' DA A 18 -3.656 -1.807 -10.548 1.00 0.00 C ATOM 566 N9 DA A 18 -3.859 -1.460 -9.128 1.00 0.00 N ATOM 567 C8 DA A 18 -3.078 -1.721 -8.051 1.00 0.00 C ATOM 568 N7 DA A 18 -3.503 -1.334 -6.896 1.00 0.00 N ATOM 569 C5 DA A 18 -4.723 -0.739 -7.232 1.00 0.00 C ATOM 570 C6 DA A 18 -5.712 -0.114 -6.466 1.00 0.00 C ATOM 571 N6 DA A 18 -5.634 0.013 -5.142 1.00 0.00 N ATOM 572 N1 DA A 18 -6.789 0.363 -7.116 1.00 0.00 N ATOM 573 C2 DA A 18 -6.890 0.233 -8.440 1.00 0.00 C ATOM 574 N3 DA A 18 -6.015 -0.340 -9.261 1.00 0.00 N ATOM 575 C4 DA A 18 -4.946 -0.809 -8.587 1.00 0.00 C ATOM 0 H5' DA A 18 -2.806 -6.026 -10.817 1.00 0.00 H new ATOM 0 H5'' DA A 18 -3.781 -5.240 -9.592 1.00 0.00 H new ATOM 0 H4' DA A 18 -3.507 -4.182 -12.406 1.00 0.00 H new ATOM 0 H3' DA A 18 -1.608 -3.950 -10.100 1.00 0.00 H new ATOM 0 H2' DA A 18 -1.561 -1.643 -10.037 1.00 0.00 H new ATOM 0 H2'' DA A 18 -1.887 -1.497 -11.753 1.00 0.00 H new ATOM 0 H1' DA A 18 -4.032 -0.978 -11.148 1.00 0.00 H new ATOM 0 H8 DA A 18 -2.134 -2.235 -8.156 1.00 0.00 H new ATOM 0 H61 DA A 18 -6.383 0.478 -4.629 1.00 0.00 H new ATOM 0 H62 DA A 18 -4.825 -0.355 -4.641 1.00 0.00 H new ATOM 0 H2 DA A 18 -7.781 0.638 -8.895 1.00 0.00 H new ATOM 587 P DG A 19 0.474 -3.709 -11.823 1.00 0.00 P ATOM 588 OP1 DG A 19 1.112 -3.344 -13.108 1.00 0.00 O ATOM 589 OP2 DG A 19 0.913 -4.923 -11.101 1.00 0.00 O ATOM 590 O5' DG A 19 0.603 -2.450 -10.821 1.00 0.00 O ATOM 591 C5' DG A 19 1.493 -1.370 -11.124 1.00 0.00 C ATOM 592 C4' DG A 19 2.584 -1.215 -10.065 1.00 0.00 C ATOM 593 O4' DG A 19 2.103 -0.452 -8.925 1.00 0.00 O ATOM 594 C3' DG A 19 3.068 -2.572 -9.553 1.00 0.00 C ATOM 595 O3' DG A 19 4.441 -2.747 -9.915 1.00 0.00 O ATOM 596 C2' DG A 19 2.911 -2.527 -8.061 1.00 0.00 C ATOM 597 C1' DG A 19 2.617 -1.085 -7.732 1.00 0.00 C ATOM 598 N9 DG A 19 1.662 -0.969 -6.618 1.00 0.00 N ATOM 599 C8 DG A 19 0.308 -0.929 -6.632 1.00 0.00 C ATOM 600 N7 DG A 19 -0.296 -0.775 -5.501 1.00 0.00 N ATOM 601 C5 DG A 19 0.780 -0.702 -4.611 1.00 0.00 C ATOM 602 C6 DG A 19 0.788 -0.534 -3.200 1.00 0.00 C ATOM 603 O6 DG A 19 -0.171 -0.404 -2.443 1.00 0.00 O ATOM 604 N1 DG A 19 2.082 -0.516 -2.694 1.00 0.00 N ATOM 605 C2 DG A 19 3.231 -0.645 -3.449 1.00 0.00 C ATOM 606 N2 DG A 19 4.384 -0.608 -2.781 1.00 0.00 N ATOM 607 N3 DG A 19 3.232 -0.803 -4.774 1.00 0.00 N ATOM 608 C4 DG A 19 1.981 -0.823 -5.288 1.00 0.00 C ATOM 0 H5' DG A 19 0.926 -0.442 -11.199 1.00 0.00 H new ATOM 0 H5'' DG A 19 1.953 -1.541 -12.097 1.00 0.00 H new ATOM 0 H4' DG A 19 3.408 -0.690 -10.547 1.00 0.00 H new ATOM 0 H3' DG A 19 2.505 -3.403 -9.978 1.00 0.00 H new ATOM 0 H2' DG A 19 2.101 -3.178 -7.731 1.00 0.00 H new ATOM 0 H2'' DG A 19 3.817 -2.867 -7.560 1.00 0.00 H new ATOM 0 H1' DG A 19 3.532 -0.589 -7.408 1.00 0.00 H new ATOM 0 H8 DG A 19 -0.246 -1.022 -7.555 1.00 0.00 H new ATOM 0 H1 DG A 19 2.192 -0.398 -1.687 1.00 0.00 H new ATOM 0 H21 DG A 19 5.267 -0.698 -3.283 1.00 0.00 H new ATOM 0 H22 DG A 19 4.383 -0.490 -1.768 1.00 0.00 H new ATOM 620 P DG A 20 5.138 -4.191 -9.801 1.00 0.00 P ATOM 621 OP1 DG A 20 6.350 -4.190 -10.650 1.00 0.00 O ATOM 622 OP2 DG A 20 4.099 -5.226 -9.998 1.00 0.00 O ATOM 623 O5' DG A 20 5.602 -4.226 -8.259 1.00 0.00 O ATOM 624 C5' DG A 20 6.786 -3.539 -7.838 1.00 0.00 C ATOM 625 C4' DG A 20 7.246 -4.007 -6.459 1.00 0.00 C ATOM 626 O4' DG A 20 6.475 -3.353 -5.405 1.00 0.00 O ATOM 627 C3' DG A 20 7.059 -5.517 -6.311 1.00 0.00 C ATOM 628 O3' DG A 20 8.268 -6.089 -5.804 1.00 0.00 O ATOM 629 C2' DG A 20 5.953 -5.672 -5.317 1.00 0.00 C ATOM 630 C1' DG A 20 5.963 -4.388 -4.532 1.00 0.00 C ATOM 631 N9 DG A 20 4.619 -4.065 -4.033 1.00 0.00 N ATOM 632 C8 DG A 20 3.452 -4.006 -4.701 1.00 0.00 C ATOM 633 N7 DG A 20 2.388 -3.719 -4.026 1.00 0.00 N ATOM 634 C5 DG A 20 2.905 -3.566 -2.735 1.00 0.00 C ATOM 635 C6 DG A 20 2.243 -3.246 -1.519 1.00 0.00 C ATOM 636 O6 DG A 20 1.047 -3.028 -1.335 1.00 0.00 O ATOM 637 N1 DG A 20 3.135 -3.193 -0.453 1.00 0.00 N ATOM 638 C2 DG A 20 4.494 -3.418 -0.541 1.00 0.00 C ATOM 639 N2 DG A 20 5.182 -3.325 0.596 1.00 0.00 N ATOM 640 N3 DG A 20 5.123 -3.719 -1.681 1.00 0.00 N ATOM 641 C4 DG A 20 4.274 -3.777 -2.733 1.00 0.00 C ATOM 0 H5' DG A 20 6.596 -2.466 -7.814 1.00 0.00 H new ATOM 0 H5'' DG A 20 7.582 -3.706 -8.564 1.00 0.00 H new ATOM 0 H4' DG A 20 8.301 -3.748 -6.365 1.00 0.00 H new ATOM 0 H3' DG A 20 6.826 -6.012 -7.254 1.00 0.00 H new ATOM 0 H2' DG A 20 4.994 -5.826 -5.812 1.00 0.00 H new ATOM 0 H2'' DG A 20 6.120 -6.533 -4.670 1.00 0.00 H new ATOM 0 H1' DG A 20 6.599 -4.480 -3.652 1.00 0.00 H new ATOM 0 H8 DG A 20 3.406 -4.192 -5.764 1.00 0.00 H new ATOM 0 H1 DG A 20 2.755 -2.970 0.467 1.00 0.00 H new ATOM 0 H21 DG A 20 6.190 -3.480 0.596 1.00 0.00 H new ATOM 0 H22 DG A 20 4.701 -3.098 1.466 1.00 0.00 H new ATOM 653 P DA A 21 9.572 -6.240 -6.733 1.00 0.00 P ATOM 654 OP1 DA A 21 9.451 -5.290 -7.862 1.00 0.00 O ATOM 655 OP2 DA A 21 9.791 -7.680 -6.998 1.00 0.00 O ATOM 656 O5' DA A 21 10.741 -5.719 -5.755 1.00 0.00 O ATOM 657 C5' DA A 21 10.464 -5.453 -4.373 1.00 0.00 C ATOM 658 C4' DA A 21 11.091 -4.136 -3.915 1.00 0.00 C ATOM 659 O4' DA A 21 10.804 -3.067 -4.860 1.00 0.00 O ATOM 660 C3' DA A 21 10.559 -3.705 -2.555 1.00 0.00 C ATOM 661 O3' DA A 21 11.461 -4.125 -1.528 1.00 0.00 O ATOM 662 C2' DA A 21 10.467 -2.217 -2.629 1.00 0.00 C ATOM 663 C1' DA A 21 10.425 -1.882 -4.109 1.00 0.00 C ATOM 664 N9 DA A 21 9.079 -1.431 -4.521 1.00 0.00 N ATOM 665 C8 DA A 21 7.876 -1.599 -3.914 1.00 0.00 C ATOM 666 N7 DA A 21 6.840 -1.093 -4.493 1.00 0.00 N ATOM 667 C5 DA A 21 7.409 -0.516 -5.632 1.00 0.00 C ATOM 668 C6 DA A 21 6.864 0.198 -6.703 1.00 0.00 C ATOM 669 N6 DA A 21 5.566 0.476 -6.809 1.00 0.00 N ATOM 670 N1 DA A 21 7.709 0.621 -7.659 1.00 0.00 N ATOM 671 C2 DA A 21 9.014 0.359 -7.568 1.00 0.00 C ATOM 672 N3 DA A 21 9.635 -0.305 -6.601 1.00 0.00 N ATOM 673 C4 DA A 21 8.768 -0.718 -5.656 1.00 0.00 C ATOM 0 H5' DA A 21 10.846 -6.270 -3.761 1.00 0.00 H new ATOM 0 H5'' DA A 21 9.386 -5.416 -4.218 1.00 0.00 H new ATOM 0 H4' DA A 21 12.165 -4.311 -3.852 1.00 0.00 H new ATOM 0 H3' DA A 21 9.591 -4.148 -2.318 1.00 0.00 H new ATOM 0 H2' DA A 21 9.574 -1.854 -2.120 1.00 0.00 H new ATOM 0 H2'' DA A 21 11.323 -1.747 -2.145 1.00 0.00 H new ATOM 0 H1' DA A 21 11.119 -1.066 -4.309 1.00 0.00 H new ATOM 0 H8 DA A 21 7.790 -2.136 -2.981 1.00 0.00 H new ATOM 0 H61 DA A 21 5.221 1.001 -7.612 1.00 0.00 H new ATOM 0 H62 DA A 21 4.917 0.164 -6.087 1.00 0.00 H new ATOM 0 H2 DA A 21 9.634 0.729 -8.371 1.00 0.00 H new ATOM 685 P DG A 22 10.926 -4.355 -0.028 1.00 0.00 P ATOM 686 OP1 DG A 22 12.087 -4.330 0.888 1.00 0.00 O ATOM 687 OP2 DG A 22 10.016 -5.523 -0.034 1.00 0.00 O ATOM 688 O5' DG A 22 10.044 -3.032 0.237 1.00 0.00 O ATOM 689 C5' DG A 22 10.631 -1.879 0.849 1.00 0.00 C ATOM 690 C4' DG A 22 9.777 -1.354 2.002 1.00 0.00 C ATOM 691 O4' DG A 22 8.681 -0.534 1.512 1.00 0.00 O ATOM 692 C3' DG A 22 9.177 -2.502 2.816 1.00 0.00 C ATOM 693 O3' DG A 22 9.766 -2.515 4.121 1.00 0.00 O ATOM 694 C2' DG A 22 7.704 -2.226 2.886 1.00 0.00 C ATOM 695 C1' DG A 22 7.518 -0.838 2.316 1.00 0.00 C ATOM 696 N9 DG A 22 6.286 -0.757 1.511 1.00 0.00 N ATOM 697 C8 DG A 22 6.131 -0.781 0.165 1.00 0.00 C ATOM 698 N7 DG A 22 4.934 -0.669 -0.302 1.00 0.00 N ATOM 699 C5 DG A 22 4.179 -0.557 0.870 1.00 0.00 C ATOM 700 C6 DG A 22 2.776 -0.406 1.036 1.00 0.00 C ATOM 701 O6 DG A 22 1.908 -0.340 0.169 1.00 0.00 O ATOM 702 N1 DG A 22 2.427 -0.331 2.378 1.00 0.00 N ATOM 703 C2 DG A 22 3.313 -0.394 3.435 1.00 0.00 C ATOM 704 N2 DG A 22 2.779 -0.312 4.655 1.00 0.00 N ATOM 705 N3 DG A 22 4.635 -0.536 3.288 1.00 0.00 N ATOM 706 C4 DG A 22 5.000 -0.611 1.986 1.00 0.00 C ATOM 0 H5' DG A 22 10.756 -1.095 0.102 1.00 0.00 H new ATOM 0 H5'' DG A 22 11.626 -2.129 1.218 1.00 0.00 H new ATOM 0 H4' DG A 22 10.437 -0.758 2.632 1.00 0.00 H new ATOM 0 H3' DG A 22 9.365 -3.477 2.367 1.00 0.00 H new ATOM 0 H2' DG A 22 7.140 -2.963 2.313 1.00 0.00 H new ATOM 0 H2'' DG A 22 7.345 -2.278 3.914 1.00 0.00 H new ATOM 0 H1' DG A 22 7.416 -0.112 3.123 1.00 0.00 H new ATOM 0 H8 DG A 22 6.980 -0.890 -0.494 1.00 0.00 H new ATOM 0 H1 DG A 22 1.438 -0.221 2.600 1.00 0.00 H new ATOM 0 H21 DG A 22 3.380 -0.352 5.478 1.00 0.00 H new ATOM 0 H22 DG A 22 1.770 -0.209 4.764 1.00 0.00 H new ATOM 718 P DG A 23 10.856 -3.632 4.517 1.00 0.00 P ATOM 719 OP1 DG A 23 11.996 -2.954 5.174 1.00 0.00 O ATOM 720 OP2 DG A 23 11.091 -4.491 3.335 1.00 0.00 O ATOM 721 O5' DG A 23 10.082 -4.503 5.627 1.00 0.00 O ATOM 722 C5' DG A 23 8.995 -3.937 6.366 1.00 0.00 C ATOM 723 C4' DG A 23 7.966 -4.998 6.767 1.00 0.00 C ATOM 724 O4' DG A 23 6.620 -4.557 6.429 1.00 0.00 O ATOM 725 C3' DG A 23 8.224 -6.323 6.046 1.00 0.00 C ATOM 726 O3' DG A 23 8.531 -7.332 7.014 1.00 0.00 O ATOM 727 C2' DG A 23 6.959 -6.644 5.311 1.00 0.00 C ATOM 728 C1' DG A 23 5.921 -5.676 5.837 1.00 0.00 C ATOM 729 N9 DG A 23 5.014 -5.224 4.764 1.00 0.00 N ATOM 730 C8 DG A 23 5.282 -4.917 3.471 1.00 0.00 C ATOM 731 N7 DG A 23 4.297 -4.540 2.727 1.00 0.00 N ATOM 732 C5 DG A 23 3.226 -4.597 3.624 1.00 0.00 C ATOM 733 C6 DG A 23 1.851 -4.299 3.419 1.00 0.00 C ATOM 734 O6 DG A 23 1.298 -3.921 2.390 1.00 0.00 O ATOM 735 N1 DG A 23 1.111 -4.486 4.581 1.00 0.00 N ATOM 736 C2 DG A 23 1.625 -4.908 5.791 1.00 0.00 C ATOM 737 N2 DG A 23 0.752 -5.028 6.792 1.00 0.00 N ATOM 738 N3 DG A 23 2.915 -5.190 5.991 1.00 0.00 N ATOM 739 C4 DG A 23 3.657 -5.015 4.874 1.00 0.00 C ATOM 0 H5' DG A 23 8.509 -3.168 5.766 1.00 0.00 H new ATOM 0 H5'' DG A 23 9.380 -3.447 7.261 1.00 0.00 H new ATOM 0 H4' DG A 23 8.060 -5.143 7.843 1.00 0.00 H new ATOM 0 H3' DG A 23 9.065 -6.267 5.355 1.00 0.00 H new ATOM 0 H2' DG A 23 7.092 -6.529 4.235 1.00 0.00 H new ATOM 0 H2'' DG A 23 6.656 -7.676 5.486 1.00 0.00 H new ATOM 0 H1' DG A 23 5.299 -6.170 6.583 1.00 0.00 H new ATOM 0 H8 DG A 23 6.285 -4.986 3.077 1.00 0.00 H new ATOM 0 H1 DG A 23 0.110 -4.297 4.536 1.00 0.00 H new ATOM 0 H21 DG A 23 1.069 -5.336 7.711 1.00 0.00 H new ATOM 0 H22 DG A 23 -0.233 -4.812 6.638 1.00 0.00 H new ATOM 751 P DA A 24 9.215 -8.718 6.563 1.00 0.00 P ATOM 752 OP1 DA A 24 10.379 -8.969 7.444 1.00 0.00 O ATOM 753 OP2 DA A 24 9.396 -8.689 5.094 1.00 0.00 O ATOM 754 O5' DA A 24 8.077 -9.803 6.910 1.00 0.00 O ATOM 755 C5' DA A 24 6.962 -9.451 7.737 1.00 0.00 C ATOM 756 C4' DA A 24 5.664 -10.078 7.230 1.00 0.00 C ATOM 757 O4' DA A 24 4.940 -9.138 6.395 1.00 0.00 O ATOM 758 C3' DA A 24 5.945 -11.325 6.400 1.00 0.00 C ATOM 759 O3' DA A 24 5.583 -12.509 7.120 1.00 0.00 O ATOM 760 C2' DA A 24 5.117 -11.181 5.161 1.00 0.00 C ATOM 761 C1' DA A 24 4.348 -9.882 5.309 1.00 0.00 C ATOM 762 N9 DA A 24 4.399 -9.103 4.063 1.00 0.00 N ATOM 763 C8 DA A 24 5.440 -8.893 3.233 1.00 0.00 C ATOM 764 N7 DA A 24 5.239 -8.155 2.193 1.00 0.00 N ATOM 765 C5 DA A 24 3.888 -7.824 2.343 1.00 0.00 C ATOM 766 C6 DA A 24 3.010 -7.050 1.578 1.00 0.00 C ATOM 767 N6 DA A 24 3.373 -6.434 0.453 1.00 0.00 N ATOM 768 N1 DA A 24 1.744 -6.933 2.017 1.00 0.00 N ATOM 769 C2 DA A 24 1.360 -7.542 3.142 1.00 0.00 C ATOM 770 N3 DA A 24 2.106 -8.297 3.941 1.00 0.00 N ATOM 771 C4 DA A 24 3.369 -8.399 3.481 1.00 0.00 C ATOM 0 H5' DA A 24 6.856 -8.366 7.764 1.00 0.00 H new ATOM 0 H5'' DA A 24 7.149 -9.778 8.760 1.00 0.00 H new ATOM 0 H4' DA A 24 5.071 -10.344 8.105 1.00 0.00 H new ATOM 0 H3' DA A 24 7.005 -11.419 6.165 1.00 0.00 H new ATOM 0 H2' DA A 24 5.748 -11.160 4.272 1.00 0.00 H new ATOM 0 H2'' DA A 24 4.436 -12.025 5.048 1.00 0.00 H new ATOM 0 HO3' DA A 24 5.770 -13.297 6.568 1.00 0.00 H new ATOM 0 H1' DA A 24 3.299 -10.090 5.521 1.00 0.00 H new ATOM 0 H8 DA A 24 6.409 -9.327 3.431 1.00 0.00 H new ATOM 0 H61 DA A 24 2.693 -5.881 -0.068 1.00 0.00 H new ATOM 0 H62 DA A 24 4.331 -6.516 0.113 1.00 0.00 H new ATOM 0 H2 DA A 24 0.329 -7.406 3.434 1.00 0.00 H new TER 784 DA A 24