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= -0.0588 USER MOD Single : A 24 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 7.939 2.249 6.100 1.00 0.00 O ATOM 2 C5' DG A 1 8.831 1.415 5.355 1.00 0.00 C ATOM 3 C4' DG A 1 8.837 1.783 3.873 1.00 0.00 C ATOM 4 O4' DG A 1 7.664 1.236 3.199 1.00 0.00 O ATOM 5 C3' DG A 1 8.817 3.300 3.682 1.00 0.00 C ATOM 6 O3' DG A 1 9.904 3.671 2.829 1.00 0.00 O ATOM 7 C2' DG A 1 7.507 3.609 3.038 1.00 0.00 C ATOM 8 C1' DG A 1 7.046 2.308 2.444 1.00 0.00 C ATOM 9 N9 DG A 1 5.581 2.216 2.471 1.00 0.00 N ATOM 10 C8 DG A 1 4.729 2.451 3.490 1.00 0.00 C ATOM 11 N7 DG A 1 3.465 2.315 3.259 1.00 0.00 N ATOM 12 C5 DG A 1 3.464 1.943 1.909 1.00 0.00 C ATOM 13 C6 DG A 1 2.378 1.645 1.044 1.00 0.00 C ATOM 14 O6 DG A 1 1.175 1.647 1.302 1.00 0.00 O ATOM 15 N1 DG A 1 2.817 1.321 -0.233 1.00 0.00 N ATOM 16 C2 DG A 1 4.136 1.285 -0.635 1.00 0.00 C ATOM 17 N2 DG A 1 4.354 0.969 -1.911 1.00 0.00 N ATOM 18 N3 DG A 1 5.165 1.562 0.172 1.00 0.00 N ATOM 19 C4 DG A 1 4.760 1.881 1.422 1.00 0.00 C ATOM 0 H5' DG A 1 8.537 0.372 5.470 1.00 0.00 H new ATOM 0 H5'' DG A 1 9.839 1.508 5.758 1.00 0.00 H new ATOM 0 H4' DG A 1 9.749 1.365 3.447 1.00 0.00 H new ATOM 0 H3' DG A 1 8.926 3.846 4.619 1.00 0.00 H new ATOM 0 H2' DG A 1 6.789 3.986 3.766 1.00 0.00 H new ATOM 0 H2'' DG A 1 7.616 4.376 2.271 1.00 0.00 H new ATOM 0 HO5' DG A 1 7.957 1.986 7.044 1.00 0.00 H new ATOM 0 H1' DG A 1 7.342 2.237 1.398 1.00 0.00 H new ATOM 0 H8 DG A 1 5.091 2.743 4.465 1.00 0.00 H new ATOM 0 H1 DG A 1 2.108 1.091 -0.929 1.00 0.00 H new ATOM 0 H21 DG A 1 5.308 0.926 -2.270 1.00 0.00 H new ATOM 0 H22 DG A 1 3.567 0.771 -2.529 1.00 0.00 H new ATOM 32 P DG A 2 10.340 5.211 2.664 1.00 0.00 P ATOM 33 OP1 DG A 2 11.791 5.317 2.939 1.00 0.00 O ATOM 34 OP2 DG A 2 9.380 6.051 3.415 1.00 0.00 O ATOM 35 O5' DG A 2 10.103 5.453 1.089 1.00 0.00 O ATOM 36 C5' DG A 2 10.307 4.380 0.162 1.00 0.00 C ATOM 37 C4' DG A 2 9.581 4.617 -1.163 1.00 0.00 C ATOM 38 O4' DG A 2 8.169 4.276 -1.050 1.00 0.00 O ATOM 39 C3' DG A 2 9.679 6.077 -1.602 1.00 0.00 C ATOM 40 O3' DG A 2 10.351 6.129 -2.865 1.00 0.00 O ATOM 41 C2' DG A 2 8.269 6.567 -1.724 1.00 0.00 C ATOM 42 C1' DG A 2 7.406 5.331 -1.684 1.00 0.00 C ATOM 43 N9 DG A 2 6.151 5.590 -0.961 1.00 0.00 N ATOM 44 C8 DG A 2 5.954 5.907 0.340 1.00 0.00 C ATOM 45 N7 DG A 2 4.736 6.080 0.734 1.00 0.00 N ATOM 46 C5 DG A 2 4.020 5.855 -0.448 1.00 0.00 C ATOM 47 C6 DG A 2 2.619 5.894 -0.690 1.00 0.00 C ATOM 48 O6 DG A 2 1.715 6.139 0.106 1.00 0.00 O ATOM 49 N1 DG A 2 2.324 5.608 -2.018 1.00 0.00 N ATOM 50 C2 DG A 2 3.254 5.320 -2.996 1.00 0.00 C ATOM 51 N2 DG A 2 2.773 5.084 -4.215 1.00 0.00 N ATOM 52 N3 DG A 2 4.571 5.280 -2.776 1.00 0.00 N ATOM 53 C4 DG A 2 4.883 5.555 -1.490 1.00 0.00 C ATOM 0 H5' DG A 2 9.957 3.448 0.605 1.00 0.00 H new ATOM 0 H5'' DG A 2 11.374 4.262 -0.026 1.00 0.00 H new ATOM 0 H4' DG A 2 10.065 3.979 -1.902 1.00 0.00 H new ATOM 0 H3' DG A 2 10.237 6.694 -0.898 1.00 0.00 H new ATOM 0 H2' DG A 2 8.018 7.247 -0.910 1.00 0.00 H new ATOM 0 H2'' DG A 2 8.124 7.117 -2.654 1.00 0.00 H new ATOM 0 H1' DG A 2 7.130 5.032 -2.695 1.00 0.00 H new ATOM 0 H8 DG A 2 6.784 6.011 1.023 1.00 0.00 H new ATOM 0 H1 DG A 2 1.341 5.611 -2.291 1.00 0.00 H new ATOM 0 H21 DG A 2 3.410 4.865 -4.981 1.00 0.00 H new ATOM 0 H22 DG A 2 1.768 5.122 -4.383 1.00 0.00 H new ATOM 65 P DA A 3 10.908 7.518 -3.454 1.00 0.00 P ATOM 66 OP1 DA A 3 12.371 7.559 -3.244 1.00 0.00 O ATOM 67 OP2 DA A 3 10.057 8.615 -2.940 1.00 0.00 O ATOM 68 O5' DA A 3 10.626 7.358 -5.034 1.00 0.00 O ATOM 69 C5' DA A 3 9.410 6.762 -5.507 1.00 0.00 C ATOM 70 C4' DA A 3 9.677 5.508 -6.336 1.00 0.00 C ATOM 71 O4' DA A 3 10.190 4.435 -5.495 1.00 0.00 O ATOM 72 C3' DA A 3 8.401 5.005 -7.000 1.00 0.00 C ATOM 73 O3' DA A 3 8.348 5.459 -8.355 1.00 0.00 O ATOM 74 C2' DA A 3 8.481 3.518 -6.926 1.00 0.00 C ATOM 75 C1' DA A 3 9.456 3.218 -5.800 1.00 0.00 C ATOM 76 N9 DA A 3 8.744 2.742 -4.594 1.00 0.00 N ATOM 77 C8 DA A 3 7.452 2.922 -4.216 1.00 0.00 C ATOM 78 N7 DA A 3 7.088 2.428 -3.082 1.00 0.00 N ATOM 79 C5 DA A 3 8.275 1.840 -2.636 1.00 0.00 C ATOM 80 C6 DA A 3 8.600 1.130 -1.477 1.00 0.00 C ATOM 81 N6 DA A 3 7.723 0.884 -0.506 1.00 0.00 N ATOM 82 N1 DA A 3 9.865 0.690 -1.355 1.00 0.00 N ATOM 83 C2 DA A 3 10.759 0.933 -2.314 1.00 0.00 C ATOM 84 N3 DA A 3 10.559 1.595 -3.451 1.00 0.00 N ATOM 85 C4 DA A 3 9.286 2.025 -3.550 1.00 0.00 C ATOM 0 H5' DA A 3 8.861 7.486 -6.110 1.00 0.00 H new ATOM 0 H5'' DA A 3 8.776 6.508 -4.658 1.00 0.00 H new ATOM 0 H4' DA A 3 10.410 5.780 -7.096 1.00 0.00 H new ATOM 0 H3' DA A 3 7.499 5.374 -6.512 1.00 0.00 H new ATOM 0 H2' DA A 3 7.503 3.082 -6.724 1.00 0.00 H new ATOM 0 H2'' DA A 3 8.829 3.097 -7.869 1.00 0.00 H new ATOM 0 H1' DA A 3 10.140 2.429 -6.114 1.00 0.00 H new ATOM 0 H8 DA A 3 6.755 3.459 -4.842 1.00 0.00 H new ATOM 0 H61 DA A 3 8.011 0.361 0.321 1.00 0.00 H new ATOM 0 H62 DA A 3 6.763 1.219 -0.589 1.00 0.00 H new ATOM 0 H2 DA A 3 11.755 0.550 -2.150 1.00 0.00 H new ATOM 97 P DG A 4 6.932 5.622 -9.106 1.00 0.00 P ATOM 98 OP1 DG A 4 7.166 5.520 -10.564 1.00 0.00 O ATOM 99 OP2 DG A 4 6.248 6.812 -8.551 1.00 0.00 O ATOM 100 O5' DG A 4 6.123 4.309 -8.633 1.00 0.00 O ATOM 101 C5' DG A 4 5.638 3.363 -9.593 1.00 0.00 C ATOM 102 C4' DG A 4 4.113 3.254 -9.561 1.00 0.00 C ATOM 103 O4' DG A 4 3.678 2.390 -8.475 1.00 0.00 O ATOM 104 C3' DG A 4 3.459 4.620 -9.364 1.00 0.00 C ATOM 105 O3' DG A 4 2.666 4.931 -10.512 1.00 0.00 O ATOM 106 C2' DG A 4 2.607 4.500 -8.141 1.00 0.00 C ATOM 107 C1' DG A 4 2.551 3.028 -7.828 1.00 0.00 C ATOM 108 N9 DG A 4 2.575 2.792 -6.373 1.00 0.00 N ATOM 109 C8 DG A 4 3.626 2.537 -5.556 1.00 0.00 C ATOM 110 N7 DG A 4 3.377 2.337 -4.305 1.00 0.00 N ATOM 111 C5 DG A 4 1.986 2.474 -4.267 1.00 0.00 C ATOM 112 C6 DG A 4 1.093 2.368 -3.169 1.00 0.00 C ATOM 113 O6 DG A 4 1.354 2.131 -1.993 1.00 0.00 O ATOM 114 N1 DG A 4 -0.223 2.576 -3.560 1.00 0.00 N ATOM 115 C2 DG A 4 -0.635 2.852 -4.846 1.00 0.00 C ATOM 116 N2 DG A 4 -1.944 3.037 -5.014 1.00 0.00 N ATOM 117 N3 DG A 4 0.197 2.953 -5.887 1.00 0.00 N ATOM 118 C4 DG A 4 1.487 2.753 -5.531 1.00 0.00 C ATOM 0 H5' DG A 4 6.077 2.385 -9.394 1.00 0.00 H new ATOM 0 H5'' DG A 4 5.961 3.660 -10.591 1.00 0.00 H new ATOM 0 H4' DG A 4 3.810 2.837 -10.521 1.00 0.00 H new ATOM 0 H3' DG A 4 4.192 5.417 -9.244 1.00 0.00 H new ATOM 0 H2' DG A 4 3.034 5.061 -7.310 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.609 4.901 -8.318 1.00 0.00 H new ATOM 0 H1' DG A 4 1.618 2.606 -8.201 1.00 0.00 H new ATOM 0 H8 DG A 4 4.636 2.502 -5.938 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.942 2.520 -2.838 1.00 0.00 H new ATOM 0 H21 DG A 4 -2.315 3.245 -5.941 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.575 2.971 -4.215 1.00 0.00 H new ATOM 130 P DG A 5 2.116 6.425 -10.748 1.00 0.00 P ATOM 131 OP1 DG A 5 2.201 6.728 -12.195 1.00 0.00 O ATOM 132 OP2 DG A 5 2.766 7.320 -9.765 1.00 0.00 O ATOM 133 O5' DG A 5 0.561 6.282 -10.351 1.00 0.00 O ATOM 134 C5' DG A 5 -0.143 5.066 -10.619 1.00 0.00 C ATOM 135 C4' DG A 5 -1.472 5.000 -9.867 1.00 0.00 C ATOM 136 O4' DG A 5 -1.269 4.597 -8.486 1.00 0.00 O ATOM 137 C3' DG A 5 -2.172 6.356 -9.861 1.00 0.00 C ATOM 138 O3' DG A 5 -3.401 6.244 -10.586 1.00 0.00 O ATOM 139 C2' DG A 5 -2.419 6.692 -8.425 1.00 0.00 C ATOM 140 C1' DG A 5 -2.102 5.439 -7.653 1.00 0.00 C ATOM 141 N9 DG A 5 -1.408 5.779 -6.412 1.00 0.00 N ATOM 142 C8 DG A 5 -0.132 6.172 -6.234 1.00 0.00 C ATOM 143 N7 DG A 5 0.257 6.411 -5.024 1.00 0.00 N ATOM 144 C5 DG A 5 -0.911 6.147 -4.296 1.00 0.00 C ATOM 145 C6 DG A 5 -1.155 6.222 -2.898 1.00 0.00 C ATOM 146 O6 DG A 5 -0.375 6.542 -2.003 1.00 0.00 O ATOM 147 N1 DG A 5 -2.466 5.873 -2.591 1.00 0.00 N ATOM 148 C2 DG A 5 -3.426 5.500 -3.507 1.00 0.00 C ATOM 149 N2 DG A 5 -4.632 5.220 -3.015 1.00 0.00 N ATOM 150 N3 DG A 5 -3.205 5.425 -4.821 1.00 0.00 N ATOM 151 C4 DG A 5 -1.935 5.760 -5.145 1.00 0.00 C ATOM 0 H5' DG A 5 0.478 4.217 -10.334 1.00 0.00 H new ATOM 0 H5'' DG A 5 -0.327 4.981 -11.690 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.089 4.266 -10.386 1.00 0.00 H new ATOM 0 H3' DG A 5 -1.577 7.137 -10.334 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.788 7.521 -8.103 1.00 0.00 H new ATOM 0 H2'' DG A 5 -3.453 6.998 -8.267 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.019 4.911 -7.392 1.00 0.00 H new ATOM 0 H8 DG A 5 0.541 6.283 -7.071 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.739 5.895 -1.608 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.386 4.938 -3.642 1.00 0.00 H new ATOM 0 H22 DG A 5 -4.802 5.288 -2.012 1.00 0.00 H new ATOM 163 P DA A 6 -4.222 7.549 -11.045 1.00 0.00 P ATOM 164 OP1 DA A 6 -3.925 7.806 -12.472 1.00 0.00 O ATOM 165 OP2 DA A 6 -4.001 8.613 -10.040 1.00 0.00 O ATOM 166 O5' DA A 6 -5.754 7.051 -10.928 1.00 0.00 O ATOM 167 C5' DA A 6 -6.306 6.667 -9.661 1.00 0.00 C ATOM 168 C4' DA A 6 -7.046 5.331 -9.747 1.00 0.00 C ATOM 169 O4' DA A 6 -6.188 4.294 -10.305 1.00 0.00 O ATOM 170 C3' DA A 6 -7.500 4.859 -8.372 1.00 0.00 C ATOM 171 O3' DA A 6 -8.863 5.222 -8.151 1.00 0.00 O ATOM 172 C2' DA A 6 -7.330 3.378 -8.391 1.00 0.00 C ATOM 173 C1' DA A 6 -6.316 3.099 -9.485 1.00 0.00 C ATOM 174 N9 DA A 6 -4.999 2.727 -8.918 1.00 0.00 N ATOM 175 C8 DA A 6 -4.515 2.875 -7.657 1.00 0.00 C ATOM 176 N7 DA A 6 -3.307 2.481 -7.430 1.00 0.00 N ATOM 177 C5 DA A 6 -2.924 2.009 -8.685 1.00 0.00 C ATOM 178 C6 DA A 6 -1.737 1.442 -9.158 1.00 0.00 C ATOM 179 N6 DA A 6 -0.668 1.246 -8.387 1.00 0.00 N ATOM 180 N1 DA A 6 -1.693 1.088 -10.454 1.00 0.00 N ATOM 181 C2 DA A 6 -2.753 1.278 -11.242 1.00 0.00 C ATOM 182 N3 DA A 6 -3.925 1.806 -10.901 1.00 0.00 N ATOM 183 C4 DA A 6 -3.945 2.153 -9.597 1.00 0.00 C ATOM 0 H5' DA A 6 -6.991 7.440 -9.313 1.00 0.00 H new ATOM 0 H5'' DA A 6 -5.507 6.593 -8.923 1.00 0.00 H new ATOM 0 H4' DA A 6 -7.910 5.496 -10.390 1.00 0.00 H new ATOM 0 H3' DA A 6 -6.925 5.314 -7.566 1.00 0.00 H new ATOM 0 H2' DA A 6 -6.978 3.011 -7.427 1.00 0.00 H new ATOM 0 H2'' DA A 6 -8.276 2.877 -8.596 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.660 2.258 -10.087 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.119 3.307 -6.873 1.00 0.00 H new ATOM 0 H61 DA A 6 0.175 0.828 -8.781 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.693 1.514 -7.403 1.00 0.00 H new ATOM 0 H2 DA A 6 -2.647 0.969 -12.271 1.00 0.00 H new ATOM 195 P DG A 7 -9.475 5.155 -6.664 1.00 0.00 P ATOM 196 OP1 DG A 7 -10.885 4.715 -6.761 1.00 0.00 O ATOM 197 OP2 DG A 7 -9.142 6.419 -5.968 1.00 0.00 O ATOM 198 O5' DG A 7 -8.619 3.965 -5.988 1.00 0.00 O ATOM 199 C5' DG A 7 -9.258 2.751 -5.580 1.00 0.00 C ATOM 200 C4' DG A 7 -9.107 2.509 -4.078 1.00 0.00 C ATOM 201 O4' DG A 7 -7.825 1.896 -3.769 1.00 0.00 O ATOM 202 C3' DG A 7 -9.205 3.814 -3.289 1.00 0.00 C ATOM 203 O3' DG A 7 -10.404 3.803 -2.512 1.00 0.00 O ATOM 204 C2' DG A 7 -7.988 3.856 -2.412 1.00 0.00 C ATOM 205 C1' DG A 7 -7.351 2.492 -2.538 1.00 0.00 C ATOM 206 N9 DG A 7 -5.882 2.596 -2.528 1.00 0.00 N ATOM 207 C8 DG A 7 -5.006 2.601 -3.561 1.00 0.00 C ATOM 208 N7 DG A 7 -3.750 2.699 -3.278 1.00 0.00 N ATOM 209 C5 DG A 7 -3.777 2.771 -1.881 1.00 0.00 C ATOM 210 C6 DG A 7 -2.707 2.893 -0.954 1.00 0.00 C ATOM 211 O6 DG A 7 -1.502 2.962 -1.186 1.00 0.00 O ATOM 212 N1 DG A 7 -3.169 2.932 0.355 1.00 0.00 N ATOM 213 C2 DG A 7 -4.495 2.863 0.732 1.00 0.00 C ATOM 214 N2 DG A 7 -4.740 2.920 2.040 1.00 0.00 N ATOM 215 N3 DG A 7 -5.507 2.749 -0.133 1.00 0.00 N ATOM 216 C4 DG A 7 -5.080 2.709 -1.416 1.00 0.00 C ATOM 0 H5' DG A 7 -8.829 1.912 -6.129 1.00 0.00 H new ATOM 0 H5'' DG A 7 -10.316 2.793 -5.837 1.00 0.00 H new ATOM 0 H4' DG A 7 -9.919 1.841 -3.791 1.00 0.00 H new ATOM 0 H3' DG A 7 -9.243 4.692 -3.934 1.00 0.00 H new ATOM 0 H2' DG A 7 -7.302 4.640 -2.731 1.00 0.00 H new ATOM 0 H2'' DG A 7 -8.257 4.069 -1.377 1.00 0.00 H new ATOM 0 H1' DG A 7 -7.628 1.865 -1.690 1.00 0.00 H new ATOM 0 H8 DG A 7 -5.345 2.526 -4.584 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.474 3.018 1.096 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.700 2.874 2.382 1.00 0.00 H new ATOM 0 H22 DG A 7 -3.968 3.010 2.700 1.00 0.00 H new ATOM 228 P DG A 8 -10.950 5.160 -1.842 1.00 0.00 P ATOM 229 OP1 DG A 8 -12.421 5.051 -1.707 1.00 0.00 O ATOM 230 OP2 DG A 8 -10.356 6.307 -2.564 1.00 0.00 O ATOM 231 O5' DG A 8 -10.303 5.096 -0.370 1.00 0.00 O ATOM 232 C5' DG A 8 -10.459 3.926 0.438 1.00 0.00 C ATOM 233 C4' DG A 8 -9.929 4.148 1.853 1.00 0.00 C ATOM 234 O4' DG A 8 -8.479 4.000 1.899 1.00 0.00 O ATOM 235 C3' DG A 8 -10.275 5.549 2.351 1.00 0.00 C ATOM 236 O3' DG A 8 -10.966 5.426 3.597 1.00 0.00 O ATOM 237 C2' DG A 8 -8.966 6.249 2.524 1.00 0.00 C ATOM 238 C1' DG A 8 -7.939 5.151 2.594 1.00 0.00 C ATOM 239 N9 DG A 8 -6.677 5.591 1.998 1.00 0.00 N ATOM 240 C8 DG A 8 -6.461 6.156 0.797 1.00 0.00 C ATOM 241 N7 DG A 8 -5.245 6.476 0.494 1.00 0.00 N ATOM 242 C5 DG A 8 -4.553 6.075 1.645 1.00 0.00 C ATOM 243 C6 DG A 8 -3.168 6.153 1.955 1.00 0.00 C ATOM 244 O6 DG A 8 -2.255 6.598 1.264 1.00 0.00 O ATOM 245 N1 DG A 8 -2.899 5.637 3.221 1.00 0.00 N ATOM 246 C2 DG A 8 -3.840 5.112 4.081 1.00 0.00 C ATOM 247 N2 DG A 8 -3.385 4.677 5.255 1.00 0.00 N ATOM 248 N3 DG A 8 -5.143 5.035 3.796 1.00 0.00 N ATOM 249 C4 DG A 8 -5.429 5.531 2.571 1.00 0.00 C ATOM 0 H5' DG A 8 -9.931 3.091 -0.023 1.00 0.00 H new ATOM 0 H5'' DG A 8 -11.513 3.651 0.482 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.399 3.398 2.489 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.917 6.104 1.666 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.766 6.923 1.691 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.959 6.853 3.431 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.725 4.889 3.630 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.274 6.336 0.110 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.929 5.649 3.536 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.031 4.277 5.936 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.391 4.744 5.473 1.00 0.00 H new ATOM 261 P DA A 9 -11.759 6.666 4.242 1.00 0.00 P ATOM 262 OP1 DA A 9 -13.207 6.462 4.013 1.00 0.00 O ATOM 263 OP2 DA A 9 -11.108 7.918 3.796 1.00 0.00 O ATOM 264 O5' DA A 9 -11.461 6.471 5.815 1.00 0.00 O ATOM 265 C5' DA A 9 -10.187 5.989 6.261 1.00 0.00 C ATOM 266 C4' DA A 9 -10.296 4.613 6.920 1.00 0.00 C ATOM 267 O4' DA A 9 -10.750 3.608 5.970 1.00 0.00 O ATOM 268 C3' DA A 9 -8.948 4.155 7.454 1.00 0.00 C ATOM 269 O3' DA A 9 -8.834 4.476 8.841 1.00 0.00 O ATOM 270 C2' DA A 9 -8.912 2.682 7.227 1.00 0.00 C ATOM 271 C1' DA A 9 -9.935 2.414 6.142 1.00 0.00 C ATOM 272 N9 DA A 9 -9.264 2.056 4.876 1.00 0.00 N ATOM 273 C8 DA A 9 -8.051 2.433 4.409 1.00 0.00 C ATOM 274 N7 DA A 9 -7.690 1.993 3.252 1.00 0.00 N ATOM 275 C5 DA A 9 -8.796 1.220 2.890 1.00 0.00 C ATOM 276 C6 DA A 9 -9.083 0.454 1.755 1.00 0.00 C ATOM 277 N6 DA A 9 -8.246 0.339 0.725 1.00 0.00 N ATOM 278 N1 DA A 9 -10.266 -0.182 1.722 1.00 0.00 N ATOM 279 C2 DA A 9 -11.120 -0.076 2.741 1.00 0.00 C ATOM 280 N3 DA A 9 -10.951 0.622 3.862 1.00 0.00 N ATOM 281 C4 DA A 9 -9.759 1.251 3.873 1.00 0.00 C ATOM 0 H5' DA A 9 -9.759 6.698 6.970 1.00 0.00 H new ATOM 0 H5'' DA A 9 -9.503 5.933 5.414 1.00 0.00 H new ATOM 0 H4' DA A 9 -11.014 4.715 7.734 1.00 0.00 H new ATOM 0 H3' DA A 9 -8.113 4.648 6.955 1.00 0.00 H new ATOM 0 H2' DA A 9 -7.918 2.357 6.918 1.00 0.00 H new ATOM 0 H2'' DA A 9 -9.156 2.138 8.140 1.00 0.00 H new ATOM 0 H1' DA A 9 -10.568 1.575 6.430 1.00 0.00 H new ATOM 0 H8 DA A 9 -7.407 3.080 4.986 1.00 0.00 H new ATOM 0 H61 DA A 9 -8.503 -0.233 -0.080 1.00 0.00 H new ATOM 0 H62 DA A 9 -7.348 0.822 0.741 1.00 0.00 H new ATOM 0 H2 DA A 9 -12.051 -0.616 2.646 1.00 0.00 H new ATOM 293 P DG A 10 -7.388 4.467 9.550 1.00 0.00 P ATOM 294 OP1 DG A 10 -7.566 4.062 10.961 1.00 0.00 O ATOM 295 OP2 DG A 10 -6.706 5.740 9.227 1.00 0.00 O ATOM 296 O5' DG A 10 -6.627 3.276 8.774 1.00 0.00 O ATOM 297 C5' DG A 10 -6.310 2.057 9.454 1.00 0.00 C ATOM 298 C4' DG A 10 -4.808 1.772 9.438 1.00 0.00 C ATOM 299 O4' DG A 10 -4.405 1.140 8.194 1.00 0.00 O ATOM 300 C3' DG A 10 -3.992 3.054 9.601 1.00 0.00 C ATOM 301 O3' DG A 10 -3.331 3.020 10.863 1.00 0.00 O ATOM 302 C2' DG A 10 -3.012 3.063 8.465 1.00 0.00 C ATOM 303 C1' DG A 10 -3.132 1.707 7.807 1.00 0.00 C ATOM 304 N9 DG A 10 -3.047 1.824 6.341 1.00 0.00 N ATOM 305 C8 DG A 10 -4.033 2.039 5.437 1.00 0.00 C ATOM 306 N7 DG A 10 -3.701 2.094 4.191 1.00 0.00 N ATOM 307 C5 DG A 10 -2.320 1.892 4.255 1.00 0.00 C ATOM 308 C6 DG A 10 -1.360 1.839 3.210 1.00 0.00 C ATOM 309 O6 DG A 10 -1.541 1.966 2.001 1.00 0.00 O ATOM 310 N1 DG A 10 -0.082 1.614 3.703 1.00 0.00 N ATOM 311 C2 DG A 10 0.240 1.458 5.036 1.00 0.00 C ATOM 312 N2 DG A 10 1.527 1.250 5.310 1.00 0.00 N ATOM 313 N3 DG A 10 -0.657 1.506 6.028 1.00 0.00 N ATOM 314 C4 DG A 10 -1.910 1.724 5.570 1.00 0.00 C ATOM 0 H5' DG A 10 -6.842 1.230 8.984 1.00 0.00 H new ATOM 0 H5'' DG A 10 -6.658 2.115 10.485 1.00 0.00 H new ATOM 0 H4' DG A 10 -4.614 1.103 10.276 1.00 0.00 H new ATOM 0 H3' DG A 10 -4.605 3.955 9.578 1.00 0.00 H new ATOM 0 H2' DG A 10 -3.239 3.862 7.759 1.00 0.00 H new ATOM 0 H2'' DG A 10 -1.998 3.235 8.825 1.00 0.00 H new ATOM 0 H1' DG A 10 -2.313 1.063 8.129 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.060 2.160 5.748 1.00 0.00 H new ATOM 0 H1 DG A 10 0.679 1.560 3.027 1.00 0.00 H new ATOM 0 H21 DG A 10 1.829 1.127 6.276 1.00 0.00 H new ATOM 0 H22 DG A 10 2.210 1.214 4.553 1.00 0.00 H new ATOM 326 P DG A 11 -2.835 4.376 11.565 1.00 0.00 P ATOM 327 OP1 DG A 11 -3.781 4.711 12.653 1.00 0.00 O ATOM 328 OP2 DG A 11 -2.542 5.368 10.506 1.00 0.00 O ATOM 329 O5' DG A 11 -1.446 3.917 12.226 1.00 0.00 O ATOM 330 C5' DG A 11 -0.760 2.757 11.739 1.00 0.00 C ATOM 331 C4' DG A 11 0.569 3.124 11.116 1.00 0.00 C ATOM 332 O4' DG A 11 0.434 3.326 9.690 1.00 0.00 O ATOM 333 C3' DG A 11 1.111 4.398 11.735 1.00 0.00 C ATOM 334 O3' DG A 11 2.320 4.089 12.431 1.00 0.00 O ATOM 335 C2' DG A 11 1.346 5.314 10.583 1.00 0.00 C ATOM 336 C1' DG A 11 1.267 4.444 9.358 1.00 0.00 C ATOM 337 N9 DG A 11 0.718 5.188 8.223 1.00 0.00 N ATOM 338 C8 DG A 11 -0.467 5.817 8.126 1.00 0.00 C ATOM 339 N7 DG A 11 -0.744 6.411 7.013 1.00 0.00 N ATOM 340 C5 DG A 11 0.408 6.147 6.260 1.00 0.00 C ATOM 341 C6 DG A 11 0.738 6.528 4.931 1.00 0.00 C ATOM 342 O6 DG A 11 0.068 7.185 4.137 1.00 0.00 O ATOM 343 N1 DG A 11 1.993 6.055 4.562 1.00 0.00 N ATOM 344 C2 DG A 11 2.830 5.309 5.367 1.00 0.00 C ATOM 345 N2 DG A 11 3.995 4.948 4.832 1.00 0.00 N ATOM 346 N3 DG A 11 2.526 4.948 6.618 1.00 0.00 N ATOM 347 C4 DG A 11 1.309 5.396 6.999 1.00 0.00 C ATOM 0 H5' DG A 11 -1.381 2.248 11.002 1.00 0.00 H new ATOM 0 H5'' DG A 11 -0.599 2.057 12.559 1.00 0.00 H new ATOM 0 H4' DG A 11 1.257 2.299 11.302 1.00 0.00 H new ATOM 0 H3' DG A 11 0.438 4.858 12.458 1.00 0.00 H new ATOM 0 H2' DG A 11 0.597 6.106 10.552 1.00 0.00 H new ATOM 0 H2'' DG A 11 2.319 5.799 10.659 1.00 0.00 H new ATOM 0 H1' DG A 11 2.260 4.107 9.061 1.00 0.00 H new ATOM 0 H8 DG A 11 -1.164 5.825 8.951 1.00 0.00 H new ATOM 0 H1 DG A 11 2.321 6.277 3.622 1.00 0.00 H new ATOM 0 H21 DG A 11 4.657 4.396 5.377 1.00 0.00 H new ATOM 0 H22 DG A 11 4.225 5.224 3.877 1.00 0.00 H new ATOM 359 P DA A 12 2.268 3.305 13.840 1.00 0.00 P ATOM 360 OP1 DA A 12 1.905 4.277 14.896 1.00 0.00 O ATOM 361 OP2 DA A 12 3.506 2.504 13.970 1.00 0.00 O ATOM 362 O5' DA A 12 1.027 2.290 13.642 1.00 0.00 O ATOM 363 C5' DA A 12 1.181 0.883 13.883 1.00 0.00 C ATOM 364 C4' DA A 12 1.029 0.074 12.589 1.00 0.00 C ATOM 365 O4' DA A 12 1.439 0.911 11.486 1.00 0.00 O ATOM 366 C3' DA A 12 1.925 -1.162 12.604 1.00 0.00 C ATOM 367 O3' DA A 12 1.203 -2.255 12.026 1.00 0.00 O ATOM 368 C2' DA A 12 3.091 -0.795 11.747 1.00 0.00 C ATOM 369 C1' DA A 12 2.570 0.295 10.837 1.00 0.00 C ATOM 370 N9 DA A 12 3.587 1.323 10.619 1.00 0.00 N ATOM 371 C8 DA A 12 4.426 1.880 11.509 1.00 0.00 C ATOM 372 N7 DA A 12 5.205 2.822 11.092 1.00 0.00 N ATOM 373 C5 DA A 12 4.833 2.908 9.747 1.00 0.00 C ATOM 374 C6 DA A 12 5.259 3.721 8.693 1.00 0.00 C ATOM 375 N6 DA A 12 6.207 4.648 8.821 1.00 0.00 N ATOM 376 N1 DA A 12 4.667 3.539 7.499 1.00 0.00 N ATOM 377 C2 DA A 12 3.715 2.615 7.352 1.00 0.00 C ATOM 378 N3 DA A 12 3.242 1.795 8.277 1.00 0.00 N ATOM 379 C4 DA A 12 3.847 1.995 9.457 1.00 0.00 C ATOM 0 H5' DA A 12 0.438 0.553 14.609 1.00 0.00 H new ATOM 0 H5'' DA A 12 2.161 0.692 14.320 1.00 0.00 H new ATOM 0 H4' DA A 12 -0.009 -0.244 12.493 1.00 0.00 H new ATOM 0 H3' DA A 12 2.239 -1.458 13.605 1.00 0.00 H new ATOM 0 H2' DA A 12 3.929 -0.442 12.348 1.00 0.00 H new ATOM 0 H2'' DA A 12 3.447 -1.652 11.175 1.00 0.00 H new ATOM 0 H1' DA A 12 2.298 -0.141 9.876 1.00 0.00 H new ATOM 0 H8 DA A 12 4.448 1.551 12.537 1.00 0.00 H new ATOM 0 H61 DA A 12 6.479 5.214 8.017 1.00 0.00 H new ATOM 0 H62 DA A 12 6.661 4.792 9.723 1.00 0.00 H new ATOM 0 H2 DA A 12 3.282 2.526 6.367 1.00 0.00 H new ATOM 391 P DG A 13 0.008 -2.975 12.825 1.00 0.00 P ATOM 392 OP1 DG A 13 -0.034 -2.418 14.196 1.00 0.00 O ATOM 393 OP2 DG A 13 0.131 -4.436 12.626 1.00 0.00 O ATOM 394 O5' DG A 13 -1.304 -2.465 12.033 1.00 0.00 O ATOM 395 C5' DG A 13 -1.234 -2.087 10.652 1.00 0.00 C ATOM 396 C4' DG A 13 -2.624 -1.968 10.027 1.00 0.00 C ATOM 397 O4' DG A 13 -2.568 -1.162 8.818 1.00 0.00 O ATOM 398 C3' DG A 13 -3.190 -3.337 9.658 1.00 0.00 C ATOM 399 O3' DG A 13 -4.493 -3.473 10.234 1.00 0.00 O ATOM 400 C2' DG A 13 -3.257 -3.377 8.170 1.00 0.00 C ATOM 401 C1' DG A 13 -3.002 -1.972 7.695 1.00 0.00 C ATOM 402 N9 DG A 13 -1.995 -1.954 6.617 1.00 0.00 N ATOM 403 C8 DG A 13 -0.685 -2.303 6.649 1.00 0.00 C ATOM 404 N7 DG A 13 -0.009 -2.186 5.555 1.00 0.00 N ATOM 405 C5 DG A 13 -0.976 -1.699 4.672 1.00 0.00 C ATOM 406 C6 DG A 13 -0.866 -1.359 3.296 1.00 0.00 C ATOM 407 O6 DG A 13 0.126 -1.423 2.573 1.00 0.00 O ATOM 408 N1 DG A 13 -2.075 -0.907 2.785 1.00 0.00 N ATOM 409 C2 DG A 13 -3.250 -0.794 3.502 1.00 0.00 C ATOM 410 N2 DG A 13 -4.309 -0.339 2.832 1.00 0.00 N ATOM 411 N3 DG A 13 -3.363 -1.111 4.795 1.00 0.00 N ATOM 412 C4 DG A 13 -2.196 -1.555 5.316 1.00 0.00 C ATOM 0 H5' DG A 13 -0.650 -2.825 10.102 1.00 0.00 H new ATOM 0 H5'' DG A 13 -0.712 -1.135 10.561 1.00 0.00 H new ATOM 0 H4' DG A 13 -3.269 -1.498 10.770 1.00 0.00 H new ATOM 0 H3' DG A 13 -2.573 -4.154 10.032 1.00 0.00 H new ATOM 0 H2' DG A 13 -2.514 -4.064 7.766 1.00 0.00 H new ATOM 0 H2'' DG A 13 -4.232 -3.729 7.835 1.00 0.00 H new ATOM 0 H1' DG A 13 -3.925 -1.559 7.287 1.00 0.00 H new ATOM 0 H8 DG A 13 -0.224 -2.665 7.556 1.00 0.00 H new ATOM 0 H1 DG A 13 -2.097 -0.637 1.802 1.00 0.00 H new ATOM 0 H21 DG A 13 -5.206 -0.233 3.306 1.00 0.00 H new ATOM 0 H22 DG A 13 -4.222 -0.097 1.845 1.00 0.00 H new ATOM 424 P DG A 14 -5.206 -4.912 10.310 1.00 0.00 P ATOM 425 OP1 DG A 14 -6.236 -4.865 11.373 1.00 0.00 O ATOM 426 OP2 DG A 14 -4.153 -5.951 10.347 1.00 0.00 O ATOM 427 O5' DG A 14 -5.955 -5.002 8.886 1.00 0.00 O ATOM 428 C5' DG A 14 -6.872 -3.981 8.479 1.00 0.00 C ATOM 429 C4' DG A 14 -7.381 -4.221 7.058 1.00 0.00 C ATOM 430 O4' DG A 14 -6.397 -3.779 6.072 1.00 0.00 O ATOM 431 C3' DG A 14 -7.643 -5.707 6.819 1.00 0.00 C ATOM 432 O3' DG A 14 -8.950 -5.856 6.255 1.00 0.00 O ATOM 433 C2' DG A 14 -6.589 -6.141 5.854 1.00 0.00 C ATOM 434 C1' DG A 14 -6.166 -4.879 5.156 1.00 0.00 C ATOM 435 N9 DG A 14 -4.759 -4.959 4.749 1.00 0.00 N ATOM 436 C8 DG A 14 -3.667 -5.216 5.496 1.00 0.00 C ATOM 437 N7 DG A 14 -2.523 -5.251 4.897 1.00 0.00 N ATOM 438 C5 DG A 14 -2.891 -4.986 3.571 1.00 0.00 C ATOM 439 C6 DG A 14 -2.089 -4.888 2.402 1.00 0.00 C ATOM 440 O6 DG A 14 -0.871 -5.015 2.299 1.00 0.00 O ATOM 441 N1 DG A 14 -2.860 -4.610 1.278 1.00 0.00 N ATOM 442 C2 DG A 14 -4.230 -4.448 1.274 1.00 0.00 C ATOM 443 N2 DG A 14 -4.792 -4.198 0.091 1.00 0.00 N ATOM 444 N3 DG A 14 -4.990 -4.537 2.369 1.00 0.00 N ATOM 445 C4 DG A 14 -4.262 -4.806 3.476 1.00 0.00 C ATOM 0 H5' DG A 14 -6.383 -3.008 8.532 1.00 0.00 H new ATOM 0 H5'' DG A 14 -7.715 -3.952 9.169 1.00 0.00 H new ATOM 0 H4' DG A 14 -8.305 -3.653 6.949 1.00 0.00 H new ATOM 0 H3' DG A 14 -7.606 -6.303 7.731 1.00 0.00 H new ATOM 0 H2' DG A 14 -5.750 -6.609 6.369 1.00 0.00 H new ATOM 0 H2'' DG A 14 -6.978 -6.873 5.146 1.00 0.00 H new ATOM 0 H1' DG A 14 -6.744 -4.728 4.244 1.00 0.00 H new ATOM 0 H8 DG A 14 -3.746 -5.387 6.559 1.00 0.00 H new ATOM 0 H1 DG A 14 -2.374 -4.519 0.386 1.00 0.00 H new ATOM 0 H21 DG A 14 -5.801 -4.069 0.023 1.00 0.00 H new ATOM 0 H22 DG A 14 -4.212 -4.136 -0.746 1.00 0.00 H new ATOM 457 P DA A 15 -9.665 -7.296 6.190 1.00 0.00 P ATOM 458 OP1 DA A 15 -10.727 -7.333 7.219 1.00 0.00 O ATOM 459 OP2 DA A 15 -8.612 -8.336 6.174 1.00 0.00 O ATOM 460 O5' DA A 15 -10.367 -7.266 4.738 1.00 0.00 O ATOM 461 C5' DA A 15 -9.819 -6.476 3.674 1.00 0.00 C ATOM 462 C4' DA A 15 -10.671 -5.238 3.394 1.00 0.00 C ATOM 463 O4' DA A 15 -10.501 -4.244 4.444 1.00 0.00 O ATOM 464 C3' DA A 15 -10.278 -4.582 2.076 1.00 0.00 C ATOM 465 O3' DA A 15 -11.160 -5.010 1.036 1.00 0.00 O ATOM 466 C2' DA A 15 -10.391 -3.114 2.317 1.00 0.00 C ATOM 467 C1' DA A 15 -10.317 -2.942 3.822 1.00 0.00 C ATOM 468 N9 DA A 15 -9.018 -2.359 4.227 1.00 0.00 N ATOM 469 C8 DA A 15 -7.797 -2.452 3.640 1.00 0.00 C ATOM 470 N7 DA A 15 -6.812 -1.845 4.211 1.00 0.00 N ATOM 471 C5 DA A 15 -7.439 -1.272 5.320 1.00 0.00 C ATOM 472 C6 DA A 15 -6.966 -0.476 6.367 1.00 0.00 C ATOM 473 N6 DA A 15 -5.692 -0.098 6.475 1.00 0.00 N ATOM 474 N1 DA A 15 -7.854 -0.083 7.296 1.00 0.00 N ATOM 475 C2 DA A 15 -9.133 -0.448 7.203 1.00 0.00 C ATOM 476 N3 DA A 15 -9.689 -1.196 6.256 1.00 0.00 N ATOM 477 C4 DA A 15 -8.781 -1.578 5.337 1.00 0.00 C ATOM 0 H5' DA A 15 -9.748 -7.081 2.770 1.00 0.00 H new ATOM 0 H5'' DA A 15 -8.805 -6.170 3.933 1.00 0.00 H new ATOM 0 H4' DA A 15 -11.707 -5.575 3.350 1.00 0.00 H new ATOM 0 H3' DA A 15 -9.270 -4.851 1.759 1.00 0.00 H new ATOM 0 H2' DA A 15 -9.586 -2.572 1.820 1.00 0.00 H new ATOM 0 H2'' DA A 15 -11.329 -2.723 1.923 1.00 0.00 H new ATOM 0 H1' DA A 15 -11.100 -2.257 4.147 1.00 0.00 H new ATOM 0 H8 DA A 15 -7.656 -3.014 2.728 1.00 0.00 H new ATOM 0 H61 DA A 15 -5.397 0.484 7.259 1.00 0.00 H new ATOM 0 H62 DA A 15 -5.012 -0.391 5.773 1.00 0.00 H new ATOM 0 H2 DA A 15 -9.790 -0.096 7.985 1.00 0.00 H new ATOM 489 P DG A 16 -10.767 -4.760 -0.504 1.00 0.00 P ATOM 490 OP1 DG A 16 -11.993 -4.377 -1.239 1.00 0.00 O ATOM 491 OP2 DG A 16 -9.955 -5.907 -0.967 1.00 0.00 O ATOM 492 O5' DG A 16 -9.808 -3.466 -0.413 1.00 0.00 O ATOM 493 C5' DG A 16 -10.227 -2.210 -0.955 1.00 0.00 C ATOM 494 C4' DG A 16 -9.244 -1.691 -2.002 1.00 0.00 C ATOM 495 O4' DG A 16 -8.117 -1.025 -1.370 1.00 0.00 O ATOM 496 C3' DG A 16 -8.695 -2.827 -2.867 1.00 0.00 C ATOM 497 O3' DG A 16 -9.200 -2.695 -4.198 1.00 0.00 O ATOM 498 C2' DG A 16 -7.203 -2.683 -2.831 1.00 0.00 C ATOM 499 C1' DG A 16 -6.931 -1.377 -2.117 1.00 0.00 C ATOM 500 N9 DG A 16 -5.771 -1.511 -1.218 1.00 0.00 N ATOM 501 C8 DG A 16 -5.728 -1.565 0.136 1.00 0.00 C ATOM 502 N7 DG A 16 -4.572 -1.708 0.692 1.00 0.00 N ATOM 503 C5 DG A 16 -3.726 -1.757 -0.419 1.00 0.00 C ATOM 504 C6 DG A 16 -2.317 -1.907 -0.483 1.00 0.00 C ATOM 505 O6 DG A 16 -1.519 -2.028 0.445 1.00 0.00 O ATOM 506 N1 DG A 16 -1.863 -1.907 -1.795 1.00 0.00 N ATOM 507 C2 DG A 16 -2.663 -1.778 -2.913 1.00 0.00 C ATOM 508 N2 DG A 16 -2.039 -1.792 -4.089 1.00 0.00 N ATOM 509 N3 DG A 16 -3.991 -1.637 -2.862 1.00 0.00 N ATOM 510 C4 DG A 16 -4.455 -1.635 -1.593 1.00 0.00 C ATOM 0 H5' DG A 16 -10.322 -1.480 -0.151 1.00 0.00 H new ATOM 0 H5'' DG A 16 -11.214 -2.319 -1.405 1.00 0.00 H new ATOM 0 H4' DG A 16 -9.796 -0.988 -2.626 1.00 0.00 H new ATOM 0 H3' DG A 16 -8.994 -3.811 -2.506 1.00 0.00 H new ATOM 0 H2' DG A 16 -6.742 -3.519 -2.305 1.00 0.00 H new ATOM 0 H2'' DG A 16 -6.787 -2.672 -3.838 1.00 0.00 H new ATOM 0 H1' DG A 16 -6.696 -0.594 -2.838 1.00 0.00 H new ATOM 0 H8 DG A 16 -6.628 -1.491 0.728 1.00 0.00 H new ATOM 0 H1 DG A 16 -0.859 -2.010 -1.945 1.00 0.00 H new ATOM 0 H21 DG A 16 -2.575 -1.701 -4.952 1.00 0.00 H new ATOM 0 H22 DG A 16 -1.025 -1.894 -4.127 1.00 0.00 H new ATOM 522 P DG A 17 -9.604 -4.000 -5.050 1.00 0.00 P ATOM 523 OP1 DG A 17 -10.794 -3.672 -5.864 1.00 0.00 O ATOM 524 OP2 DG A 17 -9.634 -5.161 -4.132 1.00 0.00 O ATOM 525 O5' DG A 17 -8.347 -4.172 -6.039 1.00 0.00 O ATOM 526 C5' DG A 17 -7.923 -3.085 -6.862 1.00 0.00 C ATOM 527 C4' DG A 17 -6.551 -3.349 -7.477 1.00 0.00 C ATOM 528 O4' DG A 17 -5.485 -3.065 -6.520 1.00 0.00 O ATOM 529 C3' DG A 17 -6.410 -4.802 -7.915 1.00 0.00 C ATOM 530 O3' DG A 17 -6.012 -4.818 -9.289 1.00 0.00 O ATOM 531 C2' DG A 17 -5.348 -5.379 -7.045 1.00 0.00 C ATOM 532 C1' DG A 17 -4.585 -4.196 -6.524 1.00 0.00 C ATOM 533 N9 DG A 17 -4.052 -4.475 -5.189 1.00 0.00 N ATOM 534 C8 DG A 17 -4.691 -4.932 -4.096 1.00 0.00 C ATOM 535 N7 DG A 17 -3.985 -5.134 -3.031 1.00 0.00 N ATOM 536 C5 DG A 17 -2.704 -4.765 -3.467 1.00 0.00 C ATOM 537 C6 DG A 17 -1.464 -4.759 -2.771 1.00 0.00 C ATOM 538 O6 DG A 17 -1.241 -5.081 -1.605 1.00 0.00 O ATOM 539 N1 DG A 17 -0.423 -4.318 -3.586 1.00 0.00 N ATOM 540 C2 DG A 17 -0.556 -3.932 -4.903 1.00 0.00 C ATOM 541 N2 DG A 17 0.559 -3.539 -5.519 1.00 0.00 N ATOM 542 N3 DG A 17 -1.717 -3.935 -5.563 1.00 0.00 N ATOM 543 C4 DG A 17 -2.743 -4.361 -4.791 1.00 0.00 C ATOM 0 H5' DG A 17 -7.887 -2.171 -6.269 1.00 0.00 H new ATOM 0 H5'' DG A 17 -8.653 -2.922 -7.655 1.00 0.00 H new ATOM 0 H4' DG A 17 -6.465 -2.691 -8.342 1.00 0.00 H new ATOM 0 H3' DG A 17 -7.334 -5.372 -7.824 1.00 0.00 H new ATOM 0 H2' DG A 17 -5.779 -5.961 -6.230 1.00 0.00 H new ATOM 0 H2'' DG A 17 -4.699 -6.050 -7.607 1.00 0.00 H new ATOM 0 H1' DG A 17 -3.727 -3.976 -7.159 1.00 0.00 H new ATOM 0 H8 DG A 17 -5.754 -5.123 -4.108 1.00 0.00 H new ATOM 0 H1 DG A 17 0.510 -4.278 -3.176 1.00 0.00 H new ATOM 0 H21 DG A 17 0.525 -3.242 -6.494 1.00 0.00 H new ATOM 0 H22 DG A 17 1.446 -3.536 -5.015 1.00 0.00 H new ATOM 555 P DA A 18 -6.070 -6.164 -10.165 1.00 0.00 P ATOM 556 OP1 DA A 18 -7.238 -6.081 -11.069 1.00 0.00 O ATOM 557 OP2 DA A 18 -5.921 -7.320 -9.253 1.00 0.00 O ATOM 558 O5' DA A 18 -4.729 -6.046 -11.055 1.00 0.00 O ATOM 559 C5' DA A 18 -3.559 -5.390 -10.542 1.00 0.00 C ATOM 560 C4' DA A 18 -3.356 -4.013 -11.176 1.00 0.00 C ATOM 561 O4' DA A 18 -4.285 -3.039 -10.619 1.00 0.00 O ATOM 562 C3' DA A 18 -1.946 -3.489 -10.930 1.00 0.00 C ATOM 563 O3' DA A 18 -1.115 -3.774 -12.057 1.00 0.00 O ATOM 564 C2' DA A 18 -2.103 -2.017 -10.729 1.00 0.00 C ATOM 565 C1' DA A 18 -3.555 -1.810 -10.343 1.00 0.00 C ATOM 566 N9 DA A 18 -3.675 -1.447 -8.915 1.00 0.00 N ATOM 567 C8 DA A 18 -2.837 -1.699 -7.880 1.00 0.00 C ATOM 568 N7 DA A 18 -3.185 -1.279 -6.711 1.00 0.00 N ATOM 569 C5 DA A 18 -4.412 -0.667 -6.988 1.00 0.00 C ATOM 570 C6 DA A 18 -5.342 -0.005 -6.182 1.00 0.00 C ATOM 571 N6 DA A 18 -5.183 0.156 -4.868 1.00 0.00 N ATOM 572 N1 DA A 18 -6.447 0.477 -6.779 1.00 0.00 N ATOM 573 C2 DA A 18 -6.628 0.318 -8.092 1.00 0.00 C ATOM 574 N3 DA A 18 -5.814 -0.291 -8.948 1.00 0.00 N ATOM 575 C4 DA A 18 -4.715 -0.764 -8.327 1.00 0.00 C ATOM 0 H5' DA A 18 -2.683 -6.010 -10.731 1.00 0.00 H new ATOM 0 H5'' DA A 18 -3.647 -5.283 -9.461 1.00 0.00 H new ATOM 0 H4' DA A 18 -3.528 -4.138 -12.245 1.00 0.00 H new ATOM 0 H3' DA A 18 -1.471 -3.957 -10.067 1.00 0.00 H new ATOM 0 H2' DA A 18 -1.434 -1.655 -9.948 1.00 0.00 H new ATOM 0 H2'' DA A 18 -1.857 -1.469 -11.639 1.00 0.00 H new ATOM 0 H1' DA A 18 -3.973 -0.989 -10.926 1.00 0.00 H new ATOM 0 H8 DA A 18 -1.910 -2.233 -8.029 1.00 0.00 H new ATOM 0 H61 DA A 18 -5.893 0.648 -4.325 1.00 0.00 H new ATOM 0 H62 DA A 18 -4.352 -0.212 -4.406 1.00 0.00 H new ATOM 0 H2 DA A 18 -7.537 0.730 -8.505 1.00 0.00 H new ATOM 587 P DG A 19 0.486 -3.660 -11.931 1.00 0.00 P ATOM 588 OP1 DG A 19 1.023 -3.198 -13.231 1.00 0.00 O ATOM 589 OP2 DG A 19 0.993 -4.912 -11.326 1.00 0.00 O ATOM 590 O5' DG A 19 0.674 -2.469 -10.856 1.00 0.00 O ATOM 591 C5' DG A 19 1.540 -1.364 -11.140 1.00 0.00 C ATOM 592 C4' DG A 19 2.646 -1.221 -10.095 1.00 0.00 C ATOM 593 O4' DG A 19 2.167 -0.517 -8.915 1.00 0.00 O ATOM 594 C3' DG A 19 3.176 -2.583 -9.644 1.00 0.00 C ATOM 595 O3' DG A 19 4.547 -2.701 -10.032 1.00 0.00 O ATOM 596 C2' DG A 19 3.041 -2.601 -8.150 1.00 0.00 C ATOM 597 C1' DG A 19 2.745 -1.175 -7.763 1.00 0.00 C ATOM 598 N9 DG A 19 1.853 -1.104 -6.596 1.00 0.00 N ATOM 599 C8 DG A 19 0.507 -0.964 -6.531 1.00 0.00 C ATOM 600 N7 DG A 19 -0.028 -0.881 -5.357 1.00 0.00 N ATOM 601 C5 DG A 19 1.093 -0.978 -4.526 1.00 0.00 C ATOM 602 C6 DG A 19 1.184 -0.954 -3.108 1.00 0.00 C ATOM 603 O6 DG A 19 0.277 -0.831 -2.288 1.00 0.00 O ATOM 604 N1 DG A 19 2.498 -1.081 -2.678 1.00 0.00 N ATOM 605 C2 DG A 19 3.595 -1.216 -3.504 1.00 0.00 C ATOM 606 N2 DG A 19 4.778 -1.332 -2.902 1.00 0.00 N ATOM 607 N3 DG A 19 3.518 -1.238 -4.836 1.00 0.00 N ATOM 608 C4 DG A 19 2.246 -1.116 -5.279 1.00 0.00 C ATOM 0 H5' DG A 19 0.955 -0.445 -11.177 1.00 0.00 H new ATOM 0 H5'' DG A 19 1.987 -1.497 -12.125 1.00 0.00 H new ATOM 0 H4' DG A 19 3.446 -0.655 -10.573 1.00 0.00 H new ATOM 0 H3' DG A 19 2.631 -3.414 -10.092 1.00 0.00 H new ATOM 0 H2' DG A 19 2.239 -3.269 -7.835 1.00 0.00 H new ATOM 0 H2'' DG A 19 3.956 -2.956 -7.676 1.00 0.00 H new ATOM 0 H1' DG A 19 3.665 -0.671 -7.468 1.00 0.00 H new ATOM 0 H8 DG A 19 -0.096 -0.923 -7.426 1.00 0.00 H new ATOM 0 H1 DG A 19 2.666 -1.074 -1.672 1.00 0.00 H new ATOM 0 H21 DG A 19 5.626 -1.435 -3.459 1.00 0.00 H new ATOM 0 H22 DG A 19 4.836 -1.318 -1.884 1.00 0.00 H new ATOM 620 P DG A 20 5.292 -4.123 -9.978 1.00 0.00 P ATOM 621 OP1 DG A 20 6.482 -4.057 -10.857 1.00 0.00 O ATOM 622 OP2 DG A 20 4.282 -5.186 -10.179 1.00 0.00 O ATOM 623 O5' DG A 20 5.796 -4.186 -8.449 1.00 0.00 O ATOM 624 C5' DG A 20 6.948 -3.446 -8.029 1.00 0.00 C ATOM 625 C4' DG A 20 7.489 -3.965 -6.697 1.00 0.00 C ATOM 626 O4' DG A 20 6.717 -3.428 -5.578 1.00 0.00 O ATOM 627 C3' DG A 20 7.402 -5.489 -6.641 1.00 0.00 C ATOM 628 O3' DG A 20 8.657 -6.014 -6.199 1.00 0.00 O ATOM 629 C2' DG A 20 6.331 -5.774 -5.637 1.00 0.00 C ATOM 630 C1' DG A 20 6.292 -4.548 -4.766 1.00 0.00 C ATOM 631 N9 DG A 20 4.946 -4.345 -4.215 1.00 0.00 N ATOM 632 C8 DG A 20 3.766 -4.270 -4.858 1.00 0.00 C ATOM 633 N7 DG A 20 2.701 -4.110 -4.143 1.00 0.00 N ATOM 634 C5 DG A 20 3.234 -4.071 -2.849 1.00 0.00 C ATOM 635 C6 DG A 20 2.582 -3.917 -1.595 1.00 0.00 C ATOM 636 O6 DG A 20 1.381 -3.778 -1.372 1.00 0.00 O ATOM 637 N1 DG A 20 3.490 -3.937 -0.543 1.00 0.00 N ATOM 638 C2 DG A 20 4.856 -4.085 -0.674 1.00 0.00 C ATOM 639 N2 DG A 20 5.561 -4.080 0.458 1.00 0.00 N ATOM 640 N3 DG A 20 5.476 -4.230 -1.848 1.00 0.00 N ATOM 641 C4 DG A 20 4.612 -4.215 -2.888 1.00 0.00 C ATOM 0 H5' DG A 20 6.690 -2.391 -7.932 1.00 0.00 H new ATOM 0 H5'' DG A 20 7.725 -3.515 -8.791 1.00 0.00 H new ATOM 0 H4' DG A 20 8.528 -3.643 -6.620 1.00 0.00 H new ATOM 0 H3' DG A 20 7.178 -5.940 -7.608 1.00 0.00 H new ATOM 0 H2' DG A 20 5.370 -5.947 -6.121 1.00 0.00 H new ATOM 0 H2'' DG A 20 6.560 -6.667 -5.055 1.00 0.00 H new ATOM 0 H1' DG A 20 6.959 -4.657 -3.911 1.00 0.00 H new ATOM 0 H8 DG A 20 3.711 -4.341 -5.934 1.00 0.00 H new ATOM 0 H1 DG A 20 3.117 -3.834 0.401 1.00 0.00 H new ATOM 0 H21 DG A 20 6.575 -4.185 0.428 1.00 0.00 H new ATOM 0 H22 DG A 20 5.086 -3.971 1.354 1.00 0.00 H new ATOM 653 P DA A 21 9.939 -6.030 -7.170 1.00 0.00 P ATOM 654 OP1 DA A 21 9.737 -5.012 -8.225 1.00 0.00 O ATOM 655 OP2 DA A 21 10.224 -7.434 -7.542 1.00 0.00 O ATOM 656 O5' DA A 21 11.112 -5.518 -6.190 1.00 0.00 O ATOM 657 C5' DA A 21 10.863 -5.346 -4.788 1.00 0.00 C ATOM 658 C4' DA A 21 11.447 -4.032 -4.269 1.00 0.00 C ATOM 659 O4' DA A 21 11.075 -2.923 -5.133 1.00 0.00 O ATOM 660 C3' DA A 21 10.947 -3.714 -2.867 1.00 0.00 C ATOM 661 O3' DA A 21 11.913 -4.143 -1.904 1.00 0.00 O ATOM 662 C2' DA A 21 10.773 -2.231 -2.842 1.00 0.00 C ATOM 663 C1' DA A 21 10.660 -1.810 -4.298 1.00 0.00 C ATOM 664 N9 DA A 21 9.280 -1.409 -4.638 1.00 0.00 N ATOM 665 C8 DA A 21 8.109 -1.688 -4.013 1.00 0.00 C ATOM 666 N7 DA A 21 7.027 -1.209 -4.530 1.00 0.00 N ATOM 667 C5 DA A 21 7.527 -0.527 -5.642 1.00 0.00 C ATOM 668 C6 DA A 21 6.911 0.222 -6.649 1.00 0.00 C ATOM 669 N6 DA A 21 5.597 0.425 -6.704 1.00 0.00 N ATOM 670 N1 DA A 21 7.701 0.756 -7.595 1.00 0.00 N ATOM 671 C2 DA A 21 9.021 0.569 -7.556 1.00 0.00 C ATOM 672 N3 DA A 21 9.708 -0.119 -6.650 1.00 0.00 N ATOM 673 C4 DA A 21 8.895 -0.644 -5.714 1.00 0.00 C ATOM 0 H5' DA A 21 11.296 -6.180 -4.236 1.00 0.00 H new ATOM 0 H5'' DA A 21 9.789 -5.365 -4.604 1.00 0.00 H new ATOM 0 H4' DA A 21 12.530 -4.157 -4.255 1.00 0.00 H new ATOM 0 H3' DA A 21 10.014 -4.223 -2.624 1.00 0.00 H new ATOM 0 H2' DA A 21 9.881 -1.950 -2.282 1.00 0.00 H new ATOM 0 H2'' DA A 21 11.620 -1.745 -2.358 1.00 0.00 H new ATOM 0 H1' DA A 21 11.303 -0.946 -4.469 1.00 0.00 H new ATOM 0 H8 DA A 21 8.083 -2.289 -3.116 1.00 0.00 H new ATOM 0 H61 DA A 21 5.198 0.980 -7.461 1.00 0.00 H new ATOM 0 H62 DA A 21 4.989 0.026 -5.989 1.00 0.00 H new ATOM 0 H2 DA A 21 9.595 1.027 -8.348 1.00 0.00 H new ATOM 685 P DG A 22 11.477 -4.398 -0.376 1.00 0.00 P ATOM 686 OP1 DG A 22 12.677 -4.257 0.479 1.00 0.00 O ATOM 687 OP2 DG A 22 10.676 -5.641 -0.324 1.00 0.00 O ATOM 688 O5' DG A 22 10.496 -3.153 -0.080 1.00 0.00 O ATOM 689 C5' DG A 22 10.977 -1.997 0.612 1.00 0.00 C ATOM 690 C4' DG A 22 10.092 -1.648 1.808 1.00 0.00 C ATOM 691 O4' DG A 22 8.907 -0.917 1.386 1.00 0.00 O ATOM 692 C3' DG A 22 9.630 -2.907 2.540 1.00 0.00 C ATOM 693 O3' DG A 22 10.241 -2.950 3.835 1.00 0.00 O ATOM 694 C2' DG A 22 8.138 -2.794 2.646 1.00 0.00 C ATOM 695 C1' DG A 22 7.797 -1.397 2.178 1.00 0.00 C ATOM 696 N9 DG A 22 6.548 -1.393 1.395 1.00 0.00 N ATOM 697 C8 DG A 22 6.368 -1.430 0.052 1.00 0.00 C ATOM 698 N7 DG A 22 5.156 -1.395 -0.390 1.00 0.00 N ATOM 699 C5 DG A 22 4.419 -1.331 0.796 1.00 0.00 C ATOM 700 C6 DG A 22 3.014 -1.271 0.993 1.00 0.00 C ATOM 701 O6 DG A 22 2.125 -1.264 0.144 1.00 0.00 O ATOM 702 N1 DG A 22 2.689 -1.219 2.343 1.00 0.00 N ATOM 703 C2 DG A 22 3.600 -1.223 3.380 1.00 0.00 C ATOM 704 N2 DG A 22 3.089 -1.171 4.611 1.00 0.00 N ATOM 705 N3 DG A 22 4.924 -1.278 3.204 1.00 0.00 N ATOM 706 C4 DG A 22 5.265 -1.330 1.895 1.00 0.00 C ATOM 0 H5' DG A 22 11.013 -1.151 -0.074 1.00 0.00 H new ATOM 0 H5'' DG A 22 11.997 -2.175 0.953 1.00 0.00 H new ATOM 0 H4' DG A 22 10.695 -1.031 2.474 1.00 0.00 H new ATOM 0 H3' DG A 22 9.910 -3.822 2.018 1.00 0.00 H new ATOM 0 H2' DG A 22 7.644 -3.545 2.029 1.00 0.00 H new ATOM 0 H2'' DG A 22 7.805 -2.955 3.671 1.00 0.00 H new ATOM 0 H1' DG A 22 7.635 -0.742 3.034 1.00 0.00 H new ATOM 0 H8 DG A 22 7.209 -1.487 -0.624 1.00 0.00 H new ATOM 0 H1 DG A 22 1.700 -1.174 2.587 1.00 0.00 H new ATOM 0 H21 DG A 22 3.709 -1.171 5.421 1.00 0.00 H new ATOM 0 H22 DG A 22 2.078 -1.131 4.742 1.00 0.00 H new ATOM 718 P DG A 23 11.308 -4.099 4.203 1.00 0.00 P ATOM 719 OP1 DG A 23 12.455 -3.463 4.889 1.00 0.00 O ATOM 720 OP2 DG A 23 11.536 -4.922 2.994 1.00 0.00 O ATOM 721 O5' DG A 23 10.507 -4.991 5.277 1.00 0.00 O ATOM 722 C5' DG A 23 9.528 -4.392 6.131 1.00 0.00 C ATOM 723 C4' DG A 23 8.472 -5.404 6.586 1.00 0.00 C ATOM 724 O4' DG A 23 7.132 -4.881 6.357 1.00 0.00 O ATOM 725 C3' DG A 23 8.600 -6.723 5.821 1.00 0.00 C ATOM 726 O3' DG A 23 8.934 -7.768 6.740 1.00 0.00 O ATOM 727 C2' DG A 23 7.264 -6.964 5.188 1.00 0.00 C ATOM 728 C1' DG A 23 6.326 -5.948 5.807 1.00 0.00 C ATOM 729 N9 DG A 23 5.365 -5.423 4.815 1.00 0.00 N ATOM 730 C8 DG A 23 5.538 -5.136 3.501 1.00 0.00 C ATOM 731 N7 DG A 23 4.524 -4.675 2.849 1.00 0.00 N ATOM 732 C5 DG A 23 3.539 -4.644 3.840 1.00 0.00 C ATOM 733 C6 DG A 23 2.182 -4.229 3.761 1.00 0.00 C ATOM 734 O6 DG A 23 1.572 -3.802 2.784 1.00 0.00 O ATOM 735 N1 DG A 23 1.538 -4.357 4.985 1.00 0.00 N ATOM 736 C2 DG A 23 2.122 -4.824 6.146 1.00 0.00 C ATOM 737 N2 DG A 23 1.337 -4.873 7.223 1.00 0.00 N ATOM 738 N3 DG A 23 3.397 -5.215 6.229 1.00 0.00 N ATOM 739 C4 DG A 23 4.046 -5.100 5.047 1.00 0.00 C ATOM 0 H5' DG A 23 9.041 -3.571 5.605 1.00 0.00 H new ATOM 0 H5'' DG A 23 10.021 -3.964 7.004 1.00 0.00 H new ATOM 0 H4' DG A 23 8.636 -5.580 7.649 1.00 0.00 H new ATOM 0 H3' DG A 23 9.382 -6.692 5.063 1.00 0.00 H new ATOM 0 H2' DG A 23 7.316 -6.841 4.106 1.00 0.00 H new ATOM 0 H2'' DG A 23 6.919 -7.981 5.377 1.00 0.00 H new ATOM 0 H1' DG A 23 5.736 -6.422 6.591 1.00 0.00 H new ATOM 0 H8 DG A 23 6.491 -5.288 3.017 1.00 0.00 H new ATOM 0 H1 DG A 23 0.556 -4.085 5.030 1.00 0.00 H new ATOM 0 H21 DG A 23 1.710 -5.209 8.111 1.00 0.00 H new ATOM 0 H22 DG A 23 0.364 -4.575 7.159 1.00 0.00 H new ATOM 751 P DA A 24 9.482 -9.184 6.205 1.00 0.00 P ATOM 752 OP1 DA A 24 10.733 -9.500 6.931 1.00 0.00 O ATOM 753 OP2 DA A 24 9.475 -9.154 4.726 1.00 0.00 O ATOM 754 O5' DA A 24 8.341 -10.209 6.696 1.00 0.00 O ATOM 755 C5' DA A 24 7.287 -9.768 7.557 1.00 0.00 C ATOM 756 C4' DA A 24 5.921 -10.221 7.047 1.00 0.00 C ATOM 757 O4' DA A 24 5.373 -9.243 6.126 1.00 0.00 O ATOM 758 C3' DA A 24 6.025 -11.552 6.313 1.00 0.00 C ATOM 759 O3' DA A 24 5.466 -12.612 7.095 1.00 0.00 O ATOM 760 C2' DA A 24 5.262 -11.371 5.038 1.00 0.00 C ATOM 761 C1' DA A 24 4.701 -9.962 5.071 1.00 0.00 C ATOM 762 N9 DA A 24 4.910 -9.290 3.780 1.00 0.00 N ATOM 763 C8 DA A 24 5.998 -9.298 2.985 1.00 0.00 C ATOM 764 N7 DA A 24 5.947 -8.617 1.889 1.00 0.00 N ATOM 765 C5 DA A 24 4.656 -8.082 1.955 1.00 0.00 C ATOM 766 C6 DA A 24 3.930 -7.246 1.099 1.00 0.00 C ATOM 767 N6 DA A 24 4.420 -6.777 -0.048 1.00 0.00 N ATOM 768 N1 DA A 24 2.681 -6.914 1.471 1.00 0.00 N ATOM 769 C2 DA A 24 2.171 -7.374 2.615 1.00 0.00 C ATOM 770 N3 DA A 24 2.769 -8.169 3.499 1.00 0.00 N ATOM 771 C4 DA A 24 4.018 -8.488 3.104 1.00 0.00 C ATOM 0 H5' DA A 24 7.307 -8.681 7.630 1.00 0.00 H new ATOM 0 H5'' DA A 24 7.449 -10.158 8.562 1.00 0.00 H new ATOM 0 H4' DA A 24 5.271 -10.329 7.916 1.00 0.00 H new ATOM 0 H3' DA A 24 7.063 -11.824 6.124 1.00 0.00 H new ATOM 0 H2' DA A 24 5.911 -11.510 4.174 1.00 0.00 H new ATOM 0 H2'' DA A 24 4.461 -12.106 4.957 1.00 0.00 H new ATOM 0 HO3' DA A 24 5.542 -13.456 6.603 1.00 0.00 H new ATOM 0 H1' DA A 24 3.627 -9.991 5.256 1.00 0.00 H new ATOM 0 H8 DA A 24 6.883 -9.855 3.255 1.00 0.00 H new ATOM 0 H61 DA A 24 3.849 -6.170 -0.636 1.00 0.00 H new ATOM 0 H62 DA A 24 5.366 -7.025 -0.338 1.00 0.00 H new ATOM 0 H2 DA A 24 1.162 -7.068 2.849 1.00 0.00 H new TER 784 DA A 24