USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 286 hydrogens (14 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 DC O5' : rot 13:sc= 1.05 USER MOD Single : A 3 DT C7 :methyl 150:sc= -1.11 (180deg=-1.11) USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.94 (180deg=-0.968) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.00813) USER MOD Single : A 10 DT C7 :methyl -30:sc=-0.00178 (180deg=-0.555) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot 31:sc= 0.0258 USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -12.002 -14.794 3.675 1.00 0.00 O ATOM 2 C5' DC A 1 -11.733 -14.352 5.007 1.00 0.00 C ATOM 3 C4' DC A 1 -10.251 -14.391 5.301 1.00 0.00 C ATOM 4 O4' DC A 1 -9.647 -15.444 4.509 1.00 0.00 O ATOM 5 C3' DC A 1 -9.489 -13.113 4.947 1.00 0.00 C ATOM 6 O3' DC A 1 -8.429 -12.891 5.884 1.00 0.00 O ATOM 7 C2' DC A 1 -8.939 -13.406 3.564 1.00 0.00 C ATOM 8 C1' DC A 1 -8.687 -14.905 3.614 1.00 0.00 C ATOM 9 N1 DC A 1 -8.833 -15.600 2.323 1.00 0.00 N ATOM 10 C2 DC A 1 -7.902 -16.585 1.977 1.00 0.00 C ATOM 11 O2 DC A 1 -6.981 -16.845 2.765 1.00 0.00 O ATOM 12 N3 DC A 1 -8.026 -17.226 0.793 1.00 0.00 N ATOM 13 C4 DC A 1 -9.030 -16.917 -0.031 1.00 0.00 C ATOM 14 N4 DC A 1 -9.113 -17.575 -1.188 1.00 0.00 N ATOM 15 C5 DC A 1 -9.993 -15.918 0.296 1.00 0.00 C ATOM 16 C6 DC A 1 -9.859 -15.292 1.472 1.00 0.00 C ATOM 0 H5' DC A 1 -12.265 -14.984 5.718 1.00 0.00 H new ATOM 0 H5'' DC A 1 -12.107 -13.337 5.140 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.178 -14.540 6.378 1.00 0.00 H new ATOM 0 H3' DC A 1 -10.109 -12.217 4.974 1.00 0.00 H new ATOM 0 H2' DC A 1 -9.650 -13.141 2.781 1.00 0.00 H new ATOM 0 H2'' DC A 1 -8.024 -12.848 3.366 1.00 0.00 H new ATOM 0 HO5' DC A 1 -11.199 -15.214 3.301 1.00 0.00 H new ATOM 0 H1' DC A 1 -7.651 -15.052 3.920 1.00 0.00 H new ATOM 0 H41 DC A 1 -9.867 -17.364 -1.841 1.00 0.00 H new ATOM 0 H42 DC A 1 -8.422 -18.289 -1.419 1.00 0.00 H new ATOM 0 H5 DC A 1 -10.800 -15.675 -0.379 1.00 0.00 H new ATOM 0 H6 DC A 1 -10.572 -14.532 1.753 1.00 0.00 H new ATOM 29 P DC A 2 -7.788 -11.422 6.033 1.00 0.00 P ATOM 30 OP1 DC A 2 -8.266 -10.830 7.308 1.00 0.00 O ATOM 31 OP2 DC A 2 -8.021 -10.699 4.755 1.00 0.00 O ATOM 32 O5' DC A 2 -6.223 -11.692 6.157 1.00 0.00 O ATOM 33 C5' DC A 2 -5.674 -12.316 7.319 1.00 0.00 C ATOM 34 C4' DC A 2 -4.699 -13.399 6.921 1.00 0.00 C ATOM 35 O4' DC A 2 -5.229 -14.133 5.795 1.00 0.00 O ATOM 36 C3' DC A 2 -3.335 -12.901 6.457 1.00 0.00 C ATOM 37 O3' DC A 2 -2.448 -12.766 7.574 1.00 0.00 O ATOM 38 C2' DC A 2 -2.870 -14.009 5.530 1.00 0.00 C ATOM 39 C1' DC A 2 -4.169 -14.559 4.946 1.00 0.00 C ATOM 40 N1 DC A 2 -4.464 -14.094 3.578 1.00 0.00 N ATOM 41 C2 DC A 2 -3.684 -14.574 2.522 1.00 0.00 C ATOM 42 O2 DC A 2 -2.764 -15.368 2.769 1.00 0.00 O ATOM 43 N3 DC A 2 -3.950 -14.163 1.262 1.00 0.00 N ATOM 44 C4 DC A 2 -4.949 -13.307 1.038 1.00 0.00 C ATOM 45 N4 DC A 2 -5.179 -12.934 -0.222 1.00 0.00 N ATOM 46 C5 DC A 2 -5.758 -12.797 2.095 1.00 0.00 C ATOM 47 C6 DC A 2 -5.482 -13.213 3.339 1.00 0.00 C ATOM 0 H5' DC A 2 -6.474 -12.742 7.924 1.00 0.00 H new ATOM 0 H5'' DC A 2 -5.170 -11.572 7.936 1.00 0.00 H new ATOM 0 H4' DC A 2 -4.569 -13.991 7.827 1.00 0.00 H new ATOM 0 H3' DC A 2 -3.366 -11.923 5.976 1.00 0.00 H new ATOM 0 H2' DC A 2 -2.210 -13.629 4.751 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.316 -14.777 6.070 1.00 0.00 H new ATOM 0 H1' DC A 2 -4.065 -15.642 4.889 1.00 0.00 H new ATOM 0 H41 DC A 2 -5.934 -12.281 -0.431 1.00 0.00 H new ATOM 0 H42 DC A 2 -4.600 -13.302 -0.977 1.00 0.00 H new ATOM 0 H5 DC A 2 -6.562 -12.102 1.901 1.00 0.00 H new ATOM 0 H6 DC A 2 -6.073 -12.847 4.165 1.00 0.00 H new ATOM 59 P DT A 3 -1.117 -11.873 7.436 1.00 0.00 P ATOM 60 OP1 DT A 3 -0.294 -12.070 8.658 1.00 0.00 O ATOM 61 OP2 DT A 3 -1.537 -10.501 7.050 1.00 0.00 O ATOM 62 O5' DT A 3 -0.345 -12.518 6.201 1.00 0.00 O ATOM 63 C5' DT A 3 0.396 -13.733 6.346 1.00 0.00 C ATOM 64 C4' DT A 3 1.440 -13.839 5.260 1.00 0.00 C ATOM 65 O4' DT A 3 0.811 -14.263 4.031 1.00 0.00 O ATOM 66 C3' DT A 3 2.130 -12.528 4.904 1.00 0.00 C ATOM 67 O3' DT A 3 3.262 -12.316 5.755 1.00 0.00 O ATOM 68 C2' DT A 3 2.562 -12.753 3.466 1.00 0.00 C ATOM 69 C1' DT A 3 1.529 -13.740 2.921 1.00 0.00 C ATOM 70 N1 DT A 3 0.555 -13.146 1.983 1.00 0.00 N ATOM 71 C2 DT A 3 0.789 -13.295 0.634 1.00 0.00 C ATOM 72 O2 DT A 3 1.752 -13.896 0.190 1.00 0.00 O ATOM 73 N3 DT A 3 -0.148 -12.714 -0.178 1.00 0.00 N ATOM 74 C4 DT A 3 -1.272 -12.020 0.212 1.00 0.00 C ATOM 75 O4 DT A 3 -2.034 -11.567 -0.637 1.00 0.00 O ATOM 76 C5 DT A 3 -1.459 -11.901 1.642 1.00 0.00 C ATOM 77 C7 DT A 3 -2.641 -11.143 2.160 1.00 0.00 C ATOM 78 C6 DT A 3 -0.548 -12.464 2.449 1.00 0.00 C ATOM 0 H5' DT A 3 -0.279 -14.587 6.296 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.875 -13.761 7.325 1.00 0.00 H new ATOM 0 H4' DT A 3 2.177 -14.536 5.660 1.00 0.00 H new ATOM 0 H3' DT A 3 1.495 -11.650 5.026 1.00 0.00 H new ATOM 0 H2' DT A 3 2.563 -11.822 2.899 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.571 -13.161 3.411 1.00 0.00 H new ATOM 0 H1' DT A 3 2.075 -14.499 2.360 1.00 0.00 H new ATOM 0 H3 DT A 3 0.003 -12.805 -1.183 1.00 0.00 H new ATOM 0 H71 DT A 3 -2.947 -11.558 3.120 1.00 0.00 H new ATOM 0 H72 DT A 3 -2.374 -10.094 2.286 1.00 0.00 H new ATOM 0 H73 DT A 3 -3.465 -11.224 1.451 1.00 0.00 H new ATOM 0 H6 DT A 3 -0.686 -12.379 3.517 1.00 0.00 H new ATOM 91 P DC A 4 3.431 -10.914 6.523 1.00 0.00 P ATOM 92 OP1 DC A 4 4.466 -11.106 7.571 1.00 0.00 O ATOM 93 OP2 DC A 4 2.083 -10.419 6.905 1.00 0.00 O ATOM 94 O5' DC A 4 4.024 -9.936 5.412 1.00 0.00 O ATOM 95 C5' DC A 4 5.204 -10.281 4.683 1.00 0.00 C ATOM 96 C4' DC A 4 5.323 -9.423 3.445 1.00 0.00 C ATOM 97 O4' DC A 4 4.361 -9.863 2.466 1.00 0.00 O ATOM 98 C3' DC A 4 5.018 -7.941 3.646 1.00 0.00 C ATOM 99 O3' DC A 4 6.216 -7.221 3.961 1.00 0.00 O ATOM 100 C2' DC A 4 4.472 -7.503 2.294 1.00 0.00 C ATOM 101 C1' DC A 4 4.129 -8.798 1.561 1.00 0.00 C ATOM 102 N1 DC A 4 2.730 -8.874 1.113 1.00 0.00 N ATOM 103 C2 DC A 4 2.462 -8.936 -0.257 1.00 0.00 C ATOM 104 O2 DC A 4 3.411 -8.944 -1.054 1.00 0.00 O ATOM 105 N3 DC A 4 1.180 -8.986 -0.679 1.00 0.00 N ATOM 106 C4 DC A 4 0.186 -8.978 0.211 1.00 0.00 C ATOM 107 N4 DC A 4 -1.064 -9.018 -0.252 1.00 0.00 N ATOM 108 C5 DC A 4 0.429 -8.926 1.614 1.00 0.00 C ATOM 109 C6 DC A 4 1.705 -8.876 2.016 1.00 0.00 C ATOM 0 H5' DC A 4 5.172 -11.334 4.403 1.00 0.00 H new ATOM 0 H5'' DC A 4 6.082 -10.146 5.314 1.00 0.00 H new ATOM 0 H4' DC A 4 6.365 -9.531 3.145 1.00 0.00 H new ATOM 0 H3' DC A 4 4.324 -7.756 4.466 1.00 0.00 H new ATOM 0 H2' DC A 4 3.591 -6.872 2.411 1.00 0.00 H new ATOM 0 H2'' DC A 4 5.210 -6.921 1.741 1.00 0.00 H new ATOM 0 H1' DC A 4 4.748 -8.847 0.665 1.00 0.00 H new ATOM 0 H41 DC A 4 -1.849 -9.013 0.399 1.00 0.00 H new ATOM 0 H42 DC A 4 -1.235 -9.053 -1.257 1.00 0.00 H new ATOM 0 H5 DC A 4 -0.384 -8.927 2.325 1.00 0.00 H new ATOM 0 H6 DC A 4 1.928 -8.837 3.072 1.00 0.00 H new ATOM 121 P DT A 5 6.187 -5.613 4.032 1.00 0.00 P ATOM 122 OP1 DT A 5 7.368 -5.156 4.808 1.00 0.00 O ATOM 123 OP2 DT A 5 4.826 -5.201 4.460 1.00 0.00 O ATOM 124 O5' DT A 5 6.378 -5.155 2.517 1.00 0.00 O ATOM 125 C5' DT A 5 7.453 -5.661 1.724 1.00 0.00 C ATOM 126 C4' DT A 5 7.387 -5.090 0.326 1.00 0.00 C ATOM 127 O4' DT A 5 6.145 -5.510 -0.290 1.00 0.00 O ATOM 128 C3' DT A 5 7.408 -3.563 0.252 1.00 0.00 C ATOM 129 O3' DT A 5 8.223 -3.127 -0.841 1.00 0.00 O ATOM 130 C2' DT A 5 5.955 -3.186 0.021 1.00 0.00 C ATOM 131 C1' DT A 5 5.391 -4.387 -0.715 1.00 0.00 C ATOM 132 N1 DT A 5 3.971 -4.664 -0.428 1.00 0.00 N ATOM 133 C2 DT A 5 3.113 -4.876 -1.486 1.00 0.00 C ATOM 134 O2 DT A 5 3.465 -4.829 -2.654 1.00 0.00 O ATOM 135 N3 DT A 5 1.819 -5.143 -1.126 1.00 0.00 N ATOM 136 C4 DT A 5 1.306 -5.210 0.152 1.00 0.00 C ATOM 137 O4 DT A 5 0.120 -5.468 0.322 1.00 0.00 O ATOM 138 C5 DT A 5 2.257 -4.967 1.213 1.00 0.00 C ATOM 139 C7 DT A 5 1.780 -4.998 2.631 1.00 0.00 C ATOM 140 C6 DT A 5 3.528 -4.713 0.878 1.00 0.00 C ATOM 0 H5' DT A 5 7.403 -6.749 1.683 1.00 0.00 H new ATOM 0 H5'' DT A 5 8.407 -5.403 2.185 1.00 0.00 H new ATOM 0 H4' DT A 5 8.280 -5.460 -0.178 1.00 0.00 H new ATOM 0 H3' DT A 5 7.823 -3.102 1.149 1.00 0.00 H new ATOM 0 H2' DT A 5 5.432 -3.009 0.961 1.00 0.00 H new ATOM 0 H2'' DT A 5 5.866 -2.275 -0.570 1.00 0.00 H new ATOM 0 H1' DT A 5 5.456 -4.182 -1.784 1.00 0.00 H new ATOM 0 H3 DT A 5 1.162 -5.311 -1.888 1.00 0.00 H new ATOM 0 H71 DT A 5 0.737 -4.684 2.671 1.00 0.00 H new ATOM 0 H72 DT A 5 1.869 -6.011 3.023 1.00 0.00 H new ATOM 0 H73 DT A 5 2.386 -4.322 3.234 1.00 0.00 H new ATOM 0 H6 DT A 5 4.242 -4.538 1.669 1.00 0.00 H new ATOM 153 P DG A 6 8.960 -1.701 -0.767 1.00 0.00 P ATOM 154 OP1 DG A 6 10.408 -1.930 -0.536 1.00 0.00 O ATOM 155 OP2 DG A 6 8.191 -0.854 0.180 1.00 0.00 O ATOM 156 O5' DG A 6 8.769 -1.088 -2.226 1.00 0.00 O ATOM 157 C5' DG A 6 9.612 -1.483 -3.310 1.00 0.00 C ATOM 158 C4' DG A 6 8.875 -1.344 -4.621 1.00 0.00 C ATOM 159 O4' DG A 6 7.788 -2.301 -4.657 1.00 0.00 O ATOM 160 C3' DG A 6 8.213 0.012 -4.848 1.00 0.00 C ATOM 161 O3' DG A 6 9.102 0.922 -5.507 1.00 0.00 O ATOM 162 C2' DG A 6 7.039 -0.347 -5.739 1.00 0.00 C ATOM 163 C1' DG A 6 6.607 -1.675 -5.148 1.00 0.00 C ATOM 164 N9 DG A 6 5.670 -1.531 -4.039 1.00 0.00 N ATOM 165 C8 DG A 6 5.965 -1.134 -2.761 1.00 0.00 C ATOM 166 N7 DG A 6 4.919 -1.063 -1.985 1.00 0.00 N ATOM 167 C5 DG A 6 3.868 -1.466 -2.802 1.00 0.00 C ATOM 168 C6 DG A 6 2.485 -1.602 -2.518 1.00 0.00 C ATOM 169 O6 DG A 6 1.898 -1.412 -1.450 1.00 0.00 O ATOM 170 N1 DG A 6 1.768 -2.010 -3.639 1.00 0.00 N ATOM 171 C2 DG A 6 2.318 -2.267 -4.875 1.00 0.00 C ATOM 172 N2 DG A 6 1.475 -2.653 -5.845 1.00 0.00 N ATOM 173 N3 DG A 6 3.607 -2.154 -5.146 1.00 0.00 N ATOM 174 C4 DG A 6 4.316 -1.750 -4.074 1.00 0.00 C ATOM 0 H5' DG A 6 9.933 -2.515 -3.173 1.00 0.00 H new ATOM 0 H5'' DG A 6 10.512 -0.868 -3.323 1.00 0.00 H new ATOM 0 H4' DG A 6 9.639 -1.493 -5.383 1.00 0.00 H new ATOM 0 H3' DG A 6 7.925 0.515 -3.925 1.00 0.00 H new ATOM 0 H2' DG A 6 6.246 0.400 -5.694 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.331 -0.439 -6.785 1.00 0.00 H new ATOM 0 H1' DG A 6 6.098 -2.252 -5.920 1.00 0.00 H new ATOM 0 H8 DG A 6 6.966 -0.902 -2.429 1.00 0.00 H new ATOM 0 H1 DG A 6 0.760 -2.127 -3.537 1.00 0.00 H new ATOM 0 H21 DG A 6 1.831 -2.856 -6.779 1.00 0.00 H new ATOM 0 H22 DG A 6 0.478 -2.744 -5.648 1.00 0.00 H new ATOM 186 P DG A 7 9.312 2.405 -4.912 1.00 0.00 P ATOM 187 OP1 DG A 7 10.585 2.926 -5.470 1.00 0.00 O ATOM 188 OP2 DG A 7 9.125 2.353 -3.439 1.00 0.00 O ATOM 189 O5' DG A 7 8.115 3.256 -5.531 1.00 0.00 O ATOM 190 C5' DG A 7 7.423 2.810 -6.698 1.00 0.00 C ATOM 191 C4' DG A 7 6.165 3.618 -6.912 1.00 0.00 C ATOM 192 O4' DG A 7 5.067 2.917 -6.281 1.00 0.00 O ATOM 193 C3' DG A 7 6.171 5.030 -6.318 1.00 0.00 C ATOM 194 O3' DG A 7 5.540 5.949 -7.219 1.00 0.00 O ATOM 195 C2' DG A 7 5.362 4.887 -5.042 1.00 0.00 C ATOM 196 C1' DG A 7 4.392 3.773 -5.380 1.00 0.00 C ATOM 197 N9 DG A 7 3.981 2.981 -4.226 1.00 0.00 N ATOM 198 C8 DG A 7 4.791 2.242 -3.404 1.00 0.00 C ATOM 199 N7 DG A 7 4.143 1.665 -2.427 1.00 0.00 N ATOM 200 C5 DG A 7 2.823 2.044 -2.626 1.00 0.00 C ATOM 201 C6 DG A 7 1.657 1.727 -1.887 1.00 0.00 C ATOM 202 O6 DG A 7 1.557 1.043 -0.864 1.00 0.00 O ATOM 203 N1 DG A 7 0.522 2.306 -2.446 1.00 0.00 N ATOM 204 C2 DG A 7 0.515 3.097 -3.569 1.00 0.00 C ATOM 205 N2 DG A 7 -0.673 3.569 -3.955 1.00 0.00 N ATOM 206 N3 DG A 7 1.596 3.403 -4.263 1.00 0.00 N ATOM 207 C4 DG A 7 2.706 2.846 -3.740 1.00 0.00 C ATOM 0 H5' DG A 7 7.171 1.754 -6.597 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.072 2.900 -7.569 1.00 0.00 H new ATOM 0 H4' DG A 7 6.077 3.727 -7.993 1.00 0.00 H new ATOM 0 H3' DG A 7 7.175 5.415 -6.138 1.00 0.00 H new ATOM 0 H2' DG A 7 5.992 4.630 -4.191 1.00 0.00 H new ATOM 0 H2'' DG A 7 4.843 5.811 -4.787 1.00 0.00 H new ATOM 0 H1' DG A 7 3.486 4.221 -5.789 1.00 0.00 H new ATOM 0 H8 DG A 7 5.857 2.146 -3.549 1.00 0.00 H new ATOM 0 H1 DG A 7 -0.372 2.130 -1.987 1.00 0.00 H new ATOM 0 H21 DG A 7 -0.742 4.162 -4.782 1.00 0.00 H new ATOM 0 H22 DG A 7 -1.512 3.336 -3.423 1.00 0.00 H new ATOM 219 P DT A 8 5.421 7.505 -6.824 1.00 0.00 P ATOM 220 OP1 DT A 8 5.533 8.287 -8.081 1.00 0.00 O ATOM 221 OP2 DT A 8 6.352 7.787 -5.701 1.00 0.00 O ATOM 222 O5' DT A 8 3.930 7.659 -6.280 1.00 0.00 O ATOM 223 C5' DT A 8 2.867 6.868 -6.815 1.00 0.00 C ATOM 224 C4' DT A 8 1.555 7.238 -6.162 1.00 0.00 C ATOM 225 O4' DT A 8 1.323 6.324 -5.071 1.00 0.00 O ATOM 226 C3' DT A 8 1.499 8.640 -5.553 1.00 0.00 C ATOM 227 O3' DT A 8 0.739 9.513 -6.393 1.00 0.00 O ATOM 228 C2' DT A 8 0.788 8.453 -4.219 1.00 0.00 C ATOM 229 C1' DT A 8 0.521 6.959 -4.100 1.00 0.00 C ATOM 230 N1 DT A 8 0.868 6.386 -2.788 1.00 0.00 N ATOM 231 C2 DT A 8 -0.153 5.931 -1.985 1.00 0.00 C ATOM 232 O2 DT A 8 -1.327 5.971 -2.311 1.00 0.00 O ATOM 233 N3 DT A 8 0.252 5.425 -0.780 1.00 0.00 N ATOM 234 C4 DT A 8 1.541 5.327 -0.307 1.00 0.00 C ATOM 235 O4 DT A 8 1.751 4.809 0.787 1.00 0.00 O ATOM 236 C5 DT A 8 2.567 5.825 -1.195 1.00 0.00 C ATOM 237 C7 DT A 8 3.987 5.834 -0.715 1.00 0.00 C ATOM 238 C6 DT A 8 2.187 6.317 -2.389 1.00 0.00 C ATOM 0 H5' DT A 8 3.075 5.810 -6.654 1.00 0.00 H new ATOM 0 H5'' DT A 8 2.800 7.019 -7.892 1.00 0.00 H new ATOM 0 H4' DT A 8 0.814 7.196 -6.960 1.00 0.00 H new ATOM 0 H3' DT A 8 2.489 9.082 -5.440 1.00 0.00 H new ATOM 0 H2' DT A 8 1.405 8.807 -3.393 1.00 0.00 H new ATOM 0 H2'' DT A 8 -0.142 9.021 -4.188 1.00 0.00 H new ATOM 0 H1' DT A 8 -0.549 6.804 -4.235 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.484 5.082 -0.163 1.00 0.00 H new ATOM 0 H71 DT A 8 4.004 5.963 0.367 1.00 0.00 H new ATOM 0 H72 DT A 8 4.465 4.890 -0.975 1.00 0.00 H new ATOM 0 H73 DT A 8 4.526 6.656 -1.187 1.00 0.00 H new ATOM 0 H6 DT A 8 2.949 6.674 -3.066 1.00 0.00 H new ATOM 251 P DC A 9 0.919 11.106 -6.263 1.00 0.00 P ATOM 252 OP1 DC A 9 1.431 11.604 -7.563 1.00 0.00 O ATOM 253 OP2 DC A 9 1.678 11.392 -5.017 1.00 0.00 O ATOM 254 O5' DC A 9 -0.566 11.649 -6.072 1.00 0.00 O ATOM 255 C5' DC A 9 -1.696 10.824 -6.359 1.00 0.00 C ATOM 256 C4' DC A 9 -2.676 10.876 -5.211 1.00 0.00 C ATOM 257 O4' DC A 9 -2.210 10.017 -4.150 1.00 0.00 O ATOM 258 C3' DC A 9 -2.817 12.252 -4.571 1.00 0.00 C ATOM 259 O3' DC A 9 -3.874 12.981 -5.210 1.00 0.00 O ATOM 260 C2' DC A 9 -3.170 11.936 -3.127 1.00 0.00 C ATOM 261 C1' DC A 9 -2.683 10.503 -2.903 1.00 0.00 C ATOM 262 N1 DC A 9 -1.586 10.373 -1.927 1.00 0.00 N ATOM 263 C2 DC A 9 -1.865 9.827 -0.672 1.00 0.00 C ATOM 264 O2 DC A 9 -3.026 9.483 -0.415 1.00 0.00 O ATOM 265 N3 DC A 9 -0.865 9.688 0.228 1.00 0.00 N ATOM 266 C4 DC A 9 0.373 10.072 -0.087 1.00 0.00 C ATOM 267 N4 DC A 9 1.326 9.917 0.834 1.00 0.00 N ATOM 268 C5 DC A 9 0.689 10.634 -1.358 1.00 0.00 C ATOM 269 C6 DC A 9 -0.315 10.770 -2.238 1.00 0.00 C ATOM 0 H5' DC A 9 -1.374 9.796 -6.527 1.00 0.00 H new ATOM 0 H5'' DC A 9 -2.179 11.160 -7.276 1.00 0.00 H new ATOM 0 H4' DC A 9 -3.633 10.579 -5.641 1.00 0.00 H new ATOM 0 H3' DC A 9 -1.921 12.867 -4.658 1.00 0.00 H new ATOM 0 H2' DC A 9 -2.683 12.630 -2.441 1.00 0.00 H new ATOM 0 H2'' DC A 9 -4.243 12.019 -2.956 1.00 0.00 H new ATOM 0 H1' DC A 9 -3.526 9.941 -2.500 1.00 0.00 H new ATOM 0 H41 DC A 9 2.284 10.199 0.629 1.00 0.00 H new ATOM 0 H42 DC A 9 1.096 9.516 1.743 1.00 0.00 H new ATOM 0 H5 DC A 9 1.696 10.938 -1.603 1.00 0.00 H new ATOM 0 H6 DC A 9 -0.116 11.200 -3.208 1.00 0.00 H new ATOM 281 P DT A 10 -3.570 14.410 -5.882 1.00 0.00 P ATOM 282 OP1 DT A 10 -3.726 14.253 -7.349 1.00 0.00 O ATOM 283 OP2 DT A 10 -2.293 14.937 -5.332 1.00 0.00 O ATOM 284 O5' DT A 10 -4.749 15.346 -5.362 1.00 0.00 O ATOM 285 C5' DT A 10 -5.961 14.793 -4.842 1.00 0.00 C ATOM 286 C4' DT A 10 -6.260 15.386 -3.485 1.00 0.00 C ATOM 287 O4' DT A 10 -5.761 14.502 -2.459 1.00 0.00 O ATOM 288 C3' DT A 10 -5.583 16.724 -3.210 1.00 0.00 C ATOM 289 O3' DT A 10 -6.406 17.815 -3.629 1.00 0.00 O ATOM 290 C2' DT A 10 -5.430 16.731 -1.701 1.00 0.00 C ATOM 291 C1' DT A 10 -5.378 15.259 -1.317 1.00 0.00 C ATOM 292 N1 DT A 10 -4.032 14.832 -0.910 1.00 0.00 N ATOM 293 C2 DT A 10 -3.869 14.266 0.331 1.00 0.00 C ATOM 294 O2 DT A 10 -4.792 14.079 1.103 1.00 0.00 O ATOM 295 N3 DT A 10 -2.580 13.925 0.637 1.00 0.00 N ATOM 296 C4 DT A 10 -1.466 14.069 -0.162 1.00 0.00 C ATOM 297 O4 DT A 10 -0.369 13.707 0.250 1.00 0.00 O ATOM 298 C5 DT A 10 -1.712 14.658 -1.462 1.00 0.00 C ATOM 299 C7 DT A 10 -0.577 14.791 -2.427 1.00 0.00 C ATOM 300 C6 DT A 10 -2.968 15.017 -1.764 1.00 0.00 C ATOM 0 H5' DT A 10 -5.871 13.710 -4.763 1.00 0.00 H new ATOM 0 H5'' DT A 10 -6.785 14.995 -5.526 1.00 0.00 H new ATOM 0 H4' DT A 10 -7.341 15.525 -3.477 1.00 0.00 H new ATOM 0 H3' DT A 10 -4.640 16.837 -3.745 1.00 0.00 H new ATOM 0 H2' DT A 10 -4.523 17.253 -1.396 1.00 0.00 H new ATOM 0 H2'' DT A 10 -6.266 17.238 -1.219 1.00 0.00 H new ATOM 0 H1' DT A 10 -6.045 15.102 -0.470 1.00 0.00 H new ATOM 0 H3 DT A 10 -2.426 13.519 1.560 1.00 0.00 H new ATOM 0 H71 DT A 10 0.355 14.918 -1.877 1.00 0.00 H new ATOM 0 H72 DT A 10 -0.516 13.894 -3.043 1.00 0.00 H new ATOM 0 H73 DT A 10 -0.742 15.658 -3.066 1.00 0.00 H new ATOM 0 H6 DT A 10 -3.154 15.474 -2.725 1.00 0.00 H new ATOM 313 P DC A 11 -5.860 19.321 -3.486 1.00 0.00 P ATOM 314 OP1 DC A 11 -6.794 20.205 -4.228 1.00 0.00 O ATOM 315 OP2 DC A 11 -4.414 19.329 -3.829 1.00 0.00 O ATOM 316 O5' DC A 11 -6.001 19.641 -1.930 1.00 0.00 O ATOM 317 C5' DC A 11 -7.269 19.971 -1.359 1.00 0.00 C ATOM 318 C4' DC A 11 -7.178 20.005 0.149 1.00 0.00 C ATOM 319 O4' DC A 11 -6.181 19.053 0.594 1.00 0.00 O ATOM 320 C3' DC A 11 -6.774 21.355 0.746 1.00 0.00 C ATOM 321 O3' DC A 11 -7.576 21.630 1.901 1.00 0.00 O ATOM 322 C2' DC A 11 -5.313 21.169 1.120 1.00 0.00 C ATOM 323 C1' DC A 11 -5.222 19.686 1.424 1.00 0.00 C ATOM 324 N1 DC A 11 -3.915 19.070 1.135 1.00 0.00 N ATOM 325 C2 DC A 11 -3.259 18.359 2.146 1.00 0.00 C ATOM 326 O2 DC A 11 -3.776 18.297 3.272 1.00 0.00 O ATOM 327 N3 DC A 11 -2.078 17.758 1.874 1.00 0.00 N ATOM 328 C4 DC A 11 -1.551 17.847 0.651 1.00 0.00 C ATOM 329 N4 DC A 11 -0.378 17.234 0.436 1.00 0.00 N ATOM 330 C5 DC A 11 -2.198 18.573 -0.399 1.00 0.00 C ATOM 331 C6 DC A 11 -3.359 19.172 -0.109 1.00 0.00 C ATOM 0 H5' DC A 11 -8.015 19.239 -1.668 1.00 0.00 H new ATOM 0 H5'' DC A 11 -7.601 20.940 -1.731 1.00 0.00 H new ATOM 0 H4' DC A 11 -8.188 19.776 0.489 1.00 0.00 H new ATOM 0 H3' DC A 11 -6.916 22.193 0.063 1.00 0.00 H new ATOM 0 H2' DC A 11 -4.649 21.455 0.305 1.00 0.00 H new ATOM 0 H2'' DC A 11 -5.037 21.775 1.983 1.00 0.00 H new ATOM 0 H1' DC A 11 -5.386 19.563 2.495 1.00 0.00 H new ATOM 0 H41 DC A 11 0.059 17.278 -0.485 1.00 0.00 H new ATOM 0 H42 DC A 11 0.077 16.724 1.193 1.00 0.00 H new ATOM 0 H5 DC A 11 -1.766 18.635 -1.387 1.00 0.00 H new ATOM 0 H6 DC A 11 -3.865 19.746 -0.871 1.00 0.00 H new ATOM 343 P DC A 12 -8.105 23.124 2.172 1.00 0.00 P ATOM 344 OP1 DC A 12 -9.521 23.209 1.733 1.00 0.00 O ATOM 345 OP2 DC A 12 -7.103 24.063 1.605 1.00 0.00 O ATOM 346 O5' DC A 12 -8.059 23.269 3.759 1.00 0.00 O ATOM 347 C5' DC A 12 -8.842 22.416 4.598 1.00 0.00 C ATOM 348 C4' DC A 12 -7.979 21.814 5.682 1.00 0.00 C ATOM 349 O4' DC A 12 -6.647 21.623 5.152 1.00 0.00 O ATOM 350 C3' DC A 12 -7.826 22.675 6.941 1.00 0.00 C ATOM 351 O3' DC A 12 -8.092 21.898 8.111 1.00 0.00 O ATOM 352 C2' DC A 12 -6.370 23.113 6.922 1.00 0.00 C ATOM 353 C1' DC A 12 -5.699 22.023 6.115 1.00 0.00 C ATOM 354 N1 DC A 12 -4.486 22.449 5.401 1.00 0.00 N ATOM 355 C2 DC A 12 -3.235 22.094 5.913 1.00 0.00 C ATOM 356 O2 DC A 12 -3.179 21.419 6.952 1.00 0.00 O ATOM 357 N3 DC A 12 -2.117 22.493 5.262 1.00 0.00 N ATOM 358 C4 DC A 12 -2.219 23.216 4.146 1.00 0.00 C ATOM 359 N4 DC A 12 -1.095 23.591 3.537 1.00 0.00 N ATOM 360 C5 DC A 12 -3.482 23.590 3.602 1.00 0.00 C ATOM 361 C6 DC A 12 -4.578 23.189 4.255 1.00 0.00 C ATOM 0 H5' DC A 12 -9.295 21.624 4.002 1.00 0.00 H new ATOM 0 H5'' DC A 12 -9.658 22.984 5.046 1.00 0.00 H new ATOM 0 H4' DC A 12 -8.480 20.891 5.975 1.00 0.00 H new ATOM 0 H3' DC A 12 -8.518 23.517 6.957 1.00 0.00 H new ATOM 0 H2' DC A 12 -6.249 24.092 6.458 1.00 0.00 H new ATOM 0 H2'' DC A 12 -5.956 23.184 7.928 1.00 0.00 H new ATOM 0 HO3' DC A 12 -7.989 22.460 8.907 1.00 0.00 H new ATOM 0 H1' DC A 12 -5.384 21.238 6.802 1.00 0.00 H new ATOM 0 H41 DC A 12 -1.139 24.145 2.681 1.00 0.00 H new ATOM 0 H42 DC A 12 -0.191 23.324 3.926 1.00 0.00 H new ATOM 0 H5 DC A 12 -3.551 24.175 2.697 1.00 0.00 H new ATOM 0 H6 DC A 12 -5.552 23.454 3.871 1.00 0.00 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 7.368 21.949 8.155 1.00 0.00 O ATOM 376 C5' DG B 13 7.101 21.546 9.501 1.00 0.00 C ATOM 377 C4' DG B 13 6.108 20.408 9.537 1.00 0.00 C ATOM 378 O4' DG B 13 4.913 20.804 8.817 1.00 0.00 O ATOM 379 C3' DG B 13 6.586 19.113 8.875 1.00 0.00 C ATOM 380 O3' DG B 13 6.115 17.980 9.618 1.00 0.00 O ATOM 381 C2' DG B 13 5.942 19.173 7.502 1.00 0.00 C ATOM 382 C1' DG B 13 4.621 19.840 7.820 1.00 0.00 C ATOM 383 N9 DG B 13 3.995 20.525 6.693 1.00 0.00 N ATOM 384 C8 DG B 13 4.630 21.158 5.651 1.00 0.00 C ATOM 385 N7 DG B 13 3.804 21.671 4.782 1.00 0.00 N ATOM 386 C5 DG B 13 2.545 21.362 5.281 1.00 0.00 C ATOM 387 C6 DG B 13 1.259 21.660 4.770 1.00 0.00 C ATOM 388 O6 DG B 13 0.965 22.276 3.740 1.00 0.00 O ATOM 389 N1 DG B 13 0.250 21.162 5.589 1.00 0.00 N ATOM 390 C2 DG B 13 0.459 20.462 6.761 1.00 0.00 C ATOM 391 N2 DG B 13 -0.630 20.049 7.436 1.00 0.00 N ATOM 392 N3 DG B 13 1.657 20.181 7.246 1.00 0.00 N ATOM 393 C4 DG B 13 2.646 20.657 6.461 1.00 0.00 C ATOM 0 H5' DG B 13 6.711 22.392 10.067 1.00 0.00 H new ATOM 0 H5'' DG B 13 8.029 21.239 9.984 1.00 0.00 H new ATOM 0 H4' DG B 13 5.946 20.207 10.596 1.00 0.00 H new ATOM 0 H3' DG B 13 7.671 19.016 8.828 1.00 0.00 H new ATOM 0 H2' DG B 13 6.535 19.753 6.795 1.00 0.00 H new ATOM 0 H2'' DG B 13 5.808 18.182 7.068 1.00 0.00 H new ATOM 0 HO5' DG B 13 6.572 21.797 7.604 1.00 0.00 H new ATOM 0 H1' DG B 13 3.913 19.068 8.123 1.00 0.00 H new ATOM 0 H8 DG B 13 5.704 21.224 5.561 1.00 0.00 H new ATOM 0 H1 DG B 13 -0.715 21.326 5.303 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.523 19.529 8.307 1.00 0.00 H new ATOM 0 H22 DG B 13 -1.562 20.257 7.077 1.00 0.00 H new ATOM 406 P DG B 14 6.429 16.488 9.100 1.00 0.00 P ATOM 407 OP1 DG B 14 7.054 15.760 10.234 1.00 0.00 O ATOM 408 OP2 DG B 14 7.137 16.557 7.796 1.00 0.00 O ATOM 409 O5' DG B 14 4.984 15.859 8.856 1.00 0.00 O ATOM 410 C5' DG B 14 3.965 15.961 9.853 1.00 0.00 C ATOM 411 C4' DG B 14 2.823 15.022 9.545 1.00 0.00 C ATOM 412 O4' DG B 14 2.390 15.225 8.185 1.00 0.00 O ATOM 413 C3' DG B 14 3.161 13.533 9.661 1.00 0.00 C ATOM 414 O3' DG B 14 2.485 12.974 10.791 1.00 0.00 O ATOM 415 C2' DG B 14 2.647 12.915 8.366 1.00 0.00 C ATOM 416 C1' DG B 14 1.833 14.019 7.716 1.00 0.00 C ATOM 417 N9 DG B 14 1.883 14.046 6.258 1.00 0.00 N ATOM 418 C8 DG B 14 2.873 13.536 5.456 1.00 0.00 C ATOM 419 N7 DG B 14 2.666 13.746 4.185 1.00 0.00 N ATOM 420 C5 DG B 14 1.455 14.427 4.145 1.00 0.00 C ATOM 421 C6 DG B 14 0.710 14.920 3.041 1.00 0.00 C ATOM 422 O6 DG B 14 0.977 14.854 1.834 1.00 0.00 O ATOM 423 N1 DG B 14 -0.460 15.546 3.455 1.00 0.00 N ATOM 424 C2 DG B 14 -0.867 15.679 4.756 1.00 0.00 C ATOM 425 N2 DG B 14 -2.018 16.338 4.949 1.00 0.00 N ATOM 426 N3 DG B 14 -0.194 15.211 5.792 1.00 0.00 N ATOM 427 C4 DG B 14 0.953 14.607 5.417 1.00 0.00 C ATOM 0 H5' DG B 14 3.597 16.986 9.901 1.00 0.00 H new ATOM 0 H5'' DG B 14 4.382 15.726 10.832 1.00 0.00 H new ATOM 0 H4' DG B 14 2.063 15.258 10.290 1.00 0.00 H new ATOM 0 H3' DG B 14 4.227 13.351 9.801 1.00 0.00 H new ATOM 0 H2' DG B 14 3.469 12.597 7.724 1.00 0.00 H new ATOM 0 H2'' DG B 14 2.036 12.034 8.562 1.00 0.00 H new ATOM 0 H1' DG B 14 0.786 13.859 7.974 1.00 0.00 H new ATOM 0 H8 DG B 14 3.737 13.013 5.839 1.00 0.00 H new ATOM 0 H1 DG B 14 -1.064 15.938 2.732 1.00 0.00 H new ATOM 0 H21 DG B 14 -2.377 16.472 5.894 1.00 0.00 H new ATOM 0 H22 DG B 14 -2.535 16.706 4.150 1.00 0.00 H new ATOM 439 P DA B 15 2.728 11.435 11.190 1.00 0.00 P ATOM 440 OP1 DA B 15 2.858 11.358 12.667 1.00 0.00 O ATOM 441 OP2 DA B 15 3.816 10.900 10.330 1.00 0.00 O ATOM 442 O5' DA B 15 1.372 10.712 10.772 1.00 0.00 O ATOM 443 C5' DA B 15 0.107 11.349 10.969 1.00 0.00 C ATOM 444 C4' DA B 15 -0.952 10.675 10.130 1.00 0.00 C ATOM 445 O4' DA B 15 -1.084 11.376 8.877 1.00 0.00 O ATOM 446 C3' DA B 15 -0.644 9.232 9.741 1.00 0.00 C ATOM 447 O3' DA B 15 -1.176 8.336 10.723 1.00 0.00 O ATOM 448 C2' DA B 15 -1.361 9.062 8.411 1.00 0.00 C ATOM 449 C1' DA B 15 -1.551 10.483 7.879 1.00 0.00 C ATOM 450 N9 DA B 15 -0.816 10.772 6.648 1.00 0.00 N ATOM 451 C8 DA B 15 0.535 10.674 6.427 1.00 0.00 C ATOM 452 N7 DA B 15 0.899 11.015 5.216 1.00 0.00 N ATOM 453 C5 DA B 15 -0.293 11.360 4.595 1.00 0.00 C ATOM 454 C6 DA B 15 -0.588 11.813 3.297 1.00 0.00 C ATOM 455 N6 DA B 15 0.338 12.010 2.358 1.00 0.00 N ATOM 456 N1 DA B 15 -1.880 12.066 2.997 1.00 0.00 N ATOM 457 C2 DA B 15 -2.806 11.874 3.947 1.00 0.00 C ATOM 458 N3 DA B 15 -2.653 11.455 5.201 1.00 0.00 N ATOM 459 C4 DA B 15 -1.358 11.212 5.465 1.00 0.00 C ATOM 0 H5' DA B 15 0.177 12.403 10.701 1.00 0.00 H new ATOM 0 H5'' DA B 15 -0.170 11.305 12.022 1.00 0.00 H new ATOM 0 H4' DA B 15 -1.845 10.689 10.755 1.00 0.00 H new ATOM 0 H3' DA B 15 0.423 9.020 9.674 1.00 0.00 H new ATOM 0 H2' DA B 15 -0.773 8.457 7.720 1.00 0.00 H new ATOM 0 H2'' DA B 15 -2.319 8.558 8.541 1.00 0.00 H new ATOM 0 H1' DA B 15 -2.610 10.596 7.647 1.00 0.00 H new ATOM 0 H8 DA B 15 1.234 10.346 7.182 1.00 0.00 H new ATOM 0 H61 DA B 15 0.064 12.340 1.433 1.00 0.00 H new ATOM 0 H62 DA B 15 1.320 11.830 2.565 1.00 0.00 H new ATOM 0 H2 DA B 15 -3.822 12.090 3.653 1.00 0.00 H new ATOM 471 P DG B 16 -0.377 6.991 11.097 1.00 0.00 P ATOM 472 OP1 DG B 16 -0.289 6.904 12.578 1.00 0.00 O ATOM 473 OP2 DG B 16 0.867 6.945 10.286 1.00 0.00 O ATOM 474 O5' DG B 16 -1.334 5.825 10.587 1.00 0.00 O ATOM 475 C5' DG B 16 -2.739 6.038 10.441 1.00 0.00 C ATOM 476 C4' DG B 16 -3.191 5.614 9.064 1.00 0.00 C ATOM 477 O4' DG B 16 -2.501 6.419 8.080 1.00 0.00 O ATOM 478 C3' DG B 16 -2.895 4.152 8.709 1.00 0.00 C ATOM 479 O3' DG B 16 -4.115 3.470 8.400 1.00 0.00 O ATOM 480 C2' DG B 16 -1.995 4.226 7.484 1.00 0.00 C ATOM 481 C1' DG B 16 -2.232 5.623 6.949 1.00 0.00 C ATOM 482 N9 DG B 16 -1.098 6.210 6.241 1.00 0.00 N ATOM 483 C8 DG B 16 0.191 6.334 6.697 1.00 0.00 C ATOM 484 N7 DG B 16 0.992 6.897 5.834 1.00 0.00 N ATOM 485 C5 DG B 16 0.180 7.164 4.739 1.00 0.00 C ATOM 486 C6 DG B 16 0.486 7.768 3.492 1.00 0.00 C ATOM 487 O6 DG B 16 1.572 8.200 3.087 1.00 0.00 O ATOM 488 N1 DG B 16 -0.634 7.845 2.671 1.00 0.00 N ATOM 489 C2 DG B 16 -1.890 7.395 3.007 1.00 0.00 C ATOM 490 N2 DG B 16 -2.856 7.549 2.088 1.00 0.00 N ATOM 491 N3 DG B 16 -2.186 6.832 4.165 1.00 0.00 N ATOM 492 C4 DG B 16 -1.113 6.748 4.977 1.00 0.00 C ATOM 0 H5' DG B 16 -2.973 7.091 10.600 1.00 0.00 H new ATOM 0 H5'' DG B 16 -3.281 5.473 11.199 1.00 0.00 H new ATOM 0 H4' DG B 16 -4.273 5.744 9.064 1.00 0.00 H new ATOM 0 H3' DG B 16 -2.424 3.607 9.527 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.949 4.070 7.746 1.00 0.00 H new ATOM 0 H2'' DG B 16 -2.257 3.466 6.748 1.00 0.00 H new ATOM 0 H1' DG B 16 -3.040 5.574 6.219 1.00 0.00 H new ATOM 0 H8 DG B 16 0.510 5.999 7.673 1.00 0.00 H new ATOM 0 H1 DG B 16 -0.515 8.267 1.750 1.00 0.00 H new ATOM 0 H21 DG B 16 -3.805 7.232 2.287 1.00 0.00 H new ATOM 0 H22 DG B 16 -2.641 7.983 1.190 1.00 0.00 H new ATOM 504 P DA B 17 -4.179 1.865 8.488 1.00 0.00 P ATOM 505 OP1 DA B 17 -4.972 1.495 9.688 1.00 0.00 O ATOM 506 OP2 DA B 17 -2.795 1.347 8.334 1.00 0.00 O ATOM 507 O5' DA B 17 -5.004 1.443 7.191 1.00 0.00 O ATOM 508 C5' DA B 17 -6.327 1.934 6.969 1.00 0.00 C ATOM 509 C4' DA B 17 -6.582 2.107 5.489 1.00 0.00 C ATOM 510 O4' DA B 17 -5.453 2.795 4.894 1.00 0.00 O ATOM 511 C3' DA B 17 -6.749 0.804 4.703 1.00 0.00 C ATOM 512 O3' DA B 17 -7.816 0.937 3.757 1.00 0.00 O ATOM 513 C2' DA B 17 -5.415 0.637 3.994 1.00 0.00 C ATOM 514 C1' DA B 17 -4.986 2.071 3.770 1.00 0.00 C ATOM 515 N9 DA B 17 -3.540 2.270 3.676 1.00 0.00 N ATOM 516 C8 DA B 17 -2.589 1.988 4.626 1.00 0.00 C ATOM 517 N7 DA B 17 -1.367 2.278 4.253 1.00 0.00 N ATOM 518 C5 DA B 17 -1.521 2.785 2.970 1.00 0.00 C ATOM 519 C6 DA B 17 -0.599 3.274 2.028 1.00 0.00 C ATOM 520 N6 DA B 17 0.715 3.341 2.246 1.00 0.00 N ATOM 521 N1 DA B 17 -1.080 3.702 0.841 1.00 0.00 N ATOM 522 C2 DA B 17 -2.401 3.641 0.627 1.00 0.00 C ATOM 523 N3 DA B 17 -3.366 3.205 1.432 1.00 0.00 N ATOM 524 C4 DA B 17 -2.854 2.785 2.602 1.00 0.00 C ATOM 0 H5' DA B 17 -6.459 2.887 7.481 1.00 0.00 H new ATOM 0 H5'' DA B 17 -7.055 1.241 7.392 1.00 0.00 H new ATOM 0 H4' DA B 17 -7.521 2.657 5.427 1.00 0.00 H new ATOM 0 H3' DA B 17 -6.997 -0.051 5.332 1.00 0.00 H new ATOM 0 H2' DA B 17 -4.697 0.088 4.603 1.00 0.00 H new ATOM 0 H2'' DA B 17 -5.519 0.092 3.056 1.00 0.00 H new ATOM 0 H1' DA B 17 -5.395 2.398 2.814 1.00 0.00 H new ATOM 0 H8 DA B 17 -2.827 1.566 5.591 1.00 0.00 H new ATOM 0 H61 DA B 17 1.334 3.706 1.522 1.00 0.00 H new ATOM 0 H62 DA B 17 1.101 3.027 3.136 1.00 0.00 H new ATOM 0 H2 DA B 17 -2.730 3.997 -0.338 1.00 0.00 H new ATOM 536 P DC B 18 -8.276 -0.332 2.880 1.00 0.00 P ATOM 537 OP1 DC B 18 -9.746 -0.250 2.691 1.00 0.00 O ATOM 538 OP2 DC B 18 -7.682 -1.551 3.488 1.00 0.00 O ATOM 539 O5' DC B 18 -7.574 -0.098 1.469 1.00 0.00 O ATOM 540 C5' DC B 18 -7.682 1.157 0.793 1.00 0.00 C ATOM 541 C4' DC B 18 -6.865 1.142 -0.479 1.00 0.00 C ATOM 542 O4' DC B 18 -5.511 1.534 -0.184 1.00 0.00 O ATOM 543 C3' DC B 18 -6.727 -0.214 -1.164 1.00 0.00 C ATOM 544 O3' DC B 18 -7.795 -0.417 -2.096 1.00 0.00 O ATOM 545 C2' DC B 18 -5.396 -0.105 -1.894 1.00 0.00 C ATOM 546 C1' DC B 18 -4.676 1.073 -1.233 1.00 0.00 C ATOM 547 N1 DC B 18 -3.365 0.731 -0.660 1.00 0.00 N ATOM 548 C2 DC B 18 -2.211 1.060 -1.378 1.00 0.00 C ATOM 549 O2 DC B 18 -2.328 1.641 -2.466 1.00 0.00 O ATOM 550 N3 DC B 18 -1.001 0.737 -0.870 1.00 0.00 N ATOM 551 C4 DC B 18 -0.916 0.115 0.306 1.00 0.00 C ATOM 552 N4 DC B 18 0.301 -0.180 0.767 1.00 0.00 N ATOM 553 C5 DC B 18 -2.074 -0.232 1.063 1.00 0.00 C ATOM 554 C6 DC B 18 -3.267 0.095 0.547 1.00 0.00 C ATOM 0 H5' DC B 18 -7.337 1.959 1.445 1.00 0.00 H new ATOM 0 H5'' DC B 18 -8.727 1.363 0.560 1.00 0.00 H new ATOM 0 H4' DC B 18 -7.409 1.815 -1.142 1.00 0.00 H new ATOM 0 H3' DC B 18 -6.766 -1.051 -0.467 1.00 0.00 H new ATOM 0 H2' DC B 18 -4.818 -1.024 -1.799 1.00 0.00 H new ATOM 0 H2'' DC B 18 -5.544 0.071 -2.960 1.00 0.00 H new ATOM 0 H1' DC B 18 -4.490 1.821 -2.004 1.00 0.00 H new ATOM 0 H41 DC B 18 0.405 -0.656 1.663 1.00 0.00 H new ATOM 0 H42 DC B 18 1.127 0.070 0.223 1.00 0.00 H new ATOM 0 H5 DC B 18 -1.993 -0.738 2.014 1.00 0.00 H new ATOM 0 H6 DC B 18 -4.166 -0.148 1.094 1.00 0.00 H new ATOM 566 P DC B 19 -8.034 -1.874 -2.735 1.00 0.00 P ATOM 567 OP1 DC B 19 -9.037 -1.721 -3.819 1.00 0.00 O ATOM 568 OP2 DC B 19 -8.292 -2.831 -1.628 1.00 0.00 O ATOM 569 O5' DC B 19 -6.630 -2.245 -3.393 1.00 0.00 O ATOM 570 C5' DC B 19 -6.390 -2.048 -4.789 1.00 0.00 C ATOM 571 C4' DC B 19 -5.480 -3.131 -5.322 1.00 0.00 C ATOM 572 O4' DC B 19 -4.109 -2.699 -5.192 1.00 0.00 O ATOM 573 C3' DC B 19 -5.549 -4.462 -4.580 1.00 0.00 C ATOM 574 O3' DC B 19 -6.546 -5.303 -5.175 1.00 0.00 O ATOM 575 C2' DC B 19 -4.156 -5.038 -4.773 1.00 0.00 C ATOM 576 C1' DC B 19 -3.261 -3.819 -4.984 1.00 0.00 C ATOM 577 N1 DC B 19 -2.376 -3.503 -3.851 1.00 0.00 N ATOM 578 C2 DC B 19 -1.005 -3.371 -4.083 1.00 0.00 C ATOM 579 O2 DC B 19 -0.571 -3.546 -5.230 1.00 0.00 O ATOM 580 N3 DC B 19 -0.185 -3.057 -3.054 1.00 0.00 N ATOM 581 C4 DC B 19 -0.689 -2.886 -1.830 1.00 0.00 C ATOM 582 N4 DC B 19 0.157 -2.583 -0.846 1.00 0.00 N ATOM 583 C5 DC B 19 -2.083 -3.021 -1.563 1.00 0.00 C ATOM 584 C6 DC B 19 -2.881 -3.329 -2.592 1.00 0.00 C ATOM 0 H5' DC B 19 -5.938 -1.070 -4.953 1.00 0.00 H new ATOM 0 H5'' DC B 19 -7.335 -2.057 -5.332 1.00 0.00 H new ATOM 0 H4' DC B 19 -5.814 -3.289 -6.347 1.00 0.00 H new ATOM 0 H3' DC B 19 -5.821 -4.367 -3.529 1.00 0.00 H new ATOM 0 H2' DC B 19 -3.842 -5.615 -3.903 1.00 0.00 H new ATOM 0 H2'' DC B 19 -4.120 -5.709 -5.631 1.00 0.00 H new ATOM 0 H1' DC B 19 -2.614 -4.047 -5.831 1.00 0.00 H new ATOM 0 H41 DC B 19 -0.192 -2.445 0.102 1.00 0.00 H new ATOM 0 H42 DC B 19 1.154 -2.489 -1.041 1.00 0.00 H new ATOM 0 H5 DC B 19 -2.480 -2.880 -0.568 1.00 0.00 H new ATOM 0 H6 DC B 19 -3.942 -3.442 -2.425 1.00 0.00 H new ATOM 596 P DA B 20 -6.556 -6.881 -4.864 1.00 0.00 P ATOM 597 OP1 DA B 20 -7.919 -7.379 -5.174 1.00 0.00 O ATOM 598 OP2 DA B 20 -5.982 -7.106 -3.513 1.00 0.00 O ATOM 599 O5' DA B 20 -5.553 -7.492 -5.942 1.00 0.00 O ATOM 600 C5' DA B 20 -5.637 -7.120 -7.321 1.00 0.00 C ATOM 601 C4' DA B 20 -4.306 -7.332 -8.003 1.00 0.00 C ATOM 602 O4' DA B 20 -3.249 -6.831 -7.147 1.00 0.00 O ATOM 603 C3' DA B 20 -3.950 -8.789 -8.290 1.00 0.00 C ATOM 604 O3' DA B 20 -3.183 -8.883 -9.497 1.00 0.00 O ATOM 605 C2' DA B 20 -3.119 -9.187 -7.085 1.00 0.00 C ATOM 606 C1' DA B 20 -2.406 -7.894 -6.724 1.00 0.00 C ATOM 607 N9 DA B 20 -2.161 -7.725 -5.292 1.00 0.00 N ATOM 608 C8 DA B 20 -3.038 -7.966 -4.264 1.00 0.00 C ATOM 609 N7 DA B 20 -2.541 -7.723 -3.076 1.00 0.00 N ATOM 610 C5 DA B 20 -1.249 -7.293 -3.338 1.00 0.00 C ATOM 611 C6 DA B 20 -0.203 -6.886 -2.496 1.00 0.00 C ATOM 612 N6 DA B 20 -0.304 -6.836 -1.171 1.00 0.00 N ATOM 613 N1 DA B 20 0.965 -6.526 -3.070 1.00 0.00 N ATOM 614 C2 DA B 20 1.062 -6.570 -4.405 1.00 0.00 C ATOM 615 N3 DA B 20 0.147 -6.933 -5.304 1.00 0.00 N ATOM 616 C4 DA B 20 -0.999 -7.289 -4.699 1.00 0.00 C ATOM 0 H5' DA B 20 -5.934 -6.075 -7.405 1.00 0.00 H new ATOM 0 H5'' DA B 20 -6.406 -7.711 -7.818 1.00 0.00 H new ATOM 0 H4' DA B 20 -4.397 -6.810 -8.956 1.00 0.00 H new ATOM 0 H3' DA B 20 -4.820 -9.430 -8.433 1.00 0.00 H new ATOM 0 H2' DA B 20 -3.741 -9.548 -6.266 1.00 0.00 H new ATOM 0 H2'' DA B 20 -2.415 -9.984 -7.325 1.00 0.00 H new ATOM 0 H1' DA B 20 -1.430 -7.908 -7.208 1.00 0.00 H new ATOM 0 H8 DA B 20 -4.045 -8.323 -4.420 1.00 0.00 H new ATOM 0 H61 DA B 20 0.492 -6.532 -0.610 1.00 0.00 H new ATOM 0 H62 DA B 20 -1.177 -7.102 -0.716 1.00 0.00 H new ATOM 0 H2 DA B 20 2.017 -6.269 -4.811 1.00 0.00 H new ATOM 628 P DG B 21 -2.758 -10.326 -10.069 1.00 0.00 P ATOM 629 OP1 DG B 21 -3.031 -10.342 -11.529 1.00 0.00 O ATOM 630 OP2 DG B 21 -3.369 -11.366 -9.199 1.00 0.00 O ATOM 631 O5' DG B 21 -1.181 -10.372 -9.850 1.00 0.00 O ATOM 632 C5' DG B 21 -0.290 -9.719 -10.758 1.00 0.00 C ATOM 633 C4' DG B 21 1.136 -10.118 -10.460 1.00 0.00 C ATOM 634 O4' DG B 21 1.627 -9.335 -9.345 1.00 0.00 O ATOM 635 C3' DG B 21 1.312 -11.574 -10.041 1.00 0.00 C ATOM 636 O3' DG B 21 1.591 -12.386 -11.185 1.00 0.00 O ATOM 637 C2' DG B 21 2.502 -11.517 -9.103 1.00 0.00 C ATOM 638 C1' DG B 21 2.326 -10.165 -8.426 1.00 0.00 C ATOM 639 N9 DG B 21 1.560 -10.197 -7.184 1.00 0.00 N ATOM 640 C8 DG B 21 0.202 -10.358 -7.047 1.00 0.00 C ATOM 641 N7 DG B 21 -0.199 -10.329 -5.806 1.00 0.00 N ATOM 642 C5 DG B 21 0.967 -10.140 -5.075 1.00 0.00 C ATOM 643 C6 DG B 21 1.167 -10.026 -3.674 1.00 0.00 C ATOM 644 O6 DG B 21 0.325 -10.066 -2.768 1.00 0.00 O ATOM 645 N1 DG B 21 2.510 -9.846 -3.363 1.00 0.00 N ATOM 646 C2 DG B 21 3.527 -9.782 -4.278 1.00 0.00 C ATOM 647 N2 DG B 21 4.753 -9.604 -3.780 1.00 0.00 N ATOM 648 N3 DG B 21 3.358 -9.885 -5.585 1.00 0.00 N ATOM 649 C4 DG B 21 2.061 -10.062 -5.911 1.00 0.00 C ATOM 0 H5' DG B 21 -0.399 -8.638 -10.673 1.00 0.00 H new ATOM 0 H5'' DG B 21 -0.544 -9.985 -11.784 1.00 0.00 H new ATOM 0 H4' DG B 21 1.675 -9.953 -11.393 1.00 0.00 H new ATOM 0 H3' DG B 21 0.428 -12.008 -9.575 1.00 0.00 H new ATOM 0 H2' DG B 21 2.490 -12.335 -8.383 1.00 0.00 H new ATOM 0 H2'' DG B 21 3.447 -11.580 -9.643 1.00 0.00 H new ATOM 0 H1' DG B 21 3.320 -9.805 -8.161 1.00 0.00 H new ATOM 0 H8 DG B 21 -0.467 -10.495 -7.884 1.00 0.00 H new ATOM 0 H1 DG B 21 2.757 -9.755 -2.378 1.00 0.00 H new ATOM 0 H21 DG B 21 5.555 -9.548 -4.408 1.00 0.00 H new ATOM 0 H22 DG B 21 4.887 -9.524 -2.772 1.00 0.00 H new ATOM 661 P DA B 22 0.688 -13.682 -11.481 1.00 0.00 P ATOM 662 OP1 DA B 22 1.167 -14.269 -12.759 1.00 0.00 O ATOM 663 OP2 DA B 22 -0.741 -13.295 -11.344 1.00 0.00 O ATOM 664 O5' DA B 22 1.050 -14.681 -10.295 1.00 0.00 O ATOM 665 C5' DA B 22 1.951 -15.771 -10.501 1.00 0.00 C ATOM 666 C4' DA B 22 2.921 -15.884 -9.348 1.00 0.00 C ATOM 667 O4' DA B 22 2.975 -14.647 -8.600 1.00 0.00 O ATOM 668 C3' DA B 22 2.565 -16.924 -8.298 1.00 0.00 C ATOM 669 O3' DA B 22 2.964 -18.231 -8.721 1.00 0.00 O ATOM 670 C2' DA B 22 3.383 -16.457 -7.110 1.00 0.00 C ATOM 671 C1' DA B 22 3.320 -14.937 -7.245 1.00 0.00 C ATOM 672 N9 DA B 22 2.323 -14.316 -6.374 1.00 0.00 N ATOM 673 C8 DA B 22 1.125 -13.736 -6.713 1.00 0.00 C ATOM 674 N7 DA B 22 0.450 -13.281 -5.685 1.00 0.00 N ATOM 675 C5 DA B 22 1.257 -13.581 -4.596 1.00 0.00 C ATOM 676 C6 DA B 22 1.107 -13.362 -3.214 1.00 0.00 C ATOM 677 N6 DA B 22 0.046 -12.768 -2.668 1.00 0.00 N ATOM 678 N1 DA B 22 2.101 -13.784 -2.400 1.00 0.00 N ATOM 679 C2 DA B 22 3.166 -14.384 -2.948 1.00 0.00 C ATOM 680 N3 DA B 22 3.419 -14.646 -4.226 1.00 0.00 N ATOM 681 C4 DA B 22 2.414 -14.215 -5.007 1.00 0.00 C ATOM 0 H5' DA B 22 2.499 -15.626 -11.432 1.00 0.00 H new ATOM 0 H5'' DA B 22 1.390 -16.700 -10.603 1.00 0.00 H new ATOM 0 H4' DA B 22 3.853 -16.157 -9.842 1.00 0.00 H new ATOM 0 H3' DA B 22 1.498 -17.004 -8.092 1.00 0.00 H new ATOM 0 H2' DA B 22 2.959 -16.799 -6.166 1.00 0.00 H new ATOM 0 H2'' DA B 22 4.408 -16.826 -7.152 1.00 0.00 H new ATOM 0 H1' DA B 22 4.290 -14.533 -6.954 1.00 0.00 H new ATOM 0 H8 DA B 22 0.772 -13.662 -7.731 1.00 0.00 H new ATOM 0 H61 DA B 22 -0.002 -12.639 -1.657 1.00 0.00 H new ATOM 0 H62 DA B 22 -0.718 -12.443 -3.261 1.00 0.00 H new ATOM 0 H2 DA B 22 3.928 -14.700 -2.251 1.00 0.00 H new ATOM 693 P DG B 23 2.199 -19.521 -8.144 1.00 0.00 P ATOM 694 OP1 DG B 23 2.783 -20.715 -8.808 1.00 0.00 O ATOM 695 OP2 DG B 23 0.737 -19.276 -8.231 1.00 0.00 O ATOM 696 O5' DG B 23 2.611 -19.558 -6.605 1.00 0.00 O ATOM 697 C5' DG B 23 3.974 -19.727 -6.211 1.00 0.00 C ATOM 698 C4' DG B 23 4.093 -19.680 -4.706 1.00 0.00 C ATOM 699 O4' DG B 23 3.684 -18.382 -4.237 1.00 0.00 O ATOM 700 C3' DG B 23 3.200 -20.662 -3.956 1.00 0.00 C ATOM 701 O3' DG B 23 3.876 -21.913 -3.779 1.00 0.00 O ATOM 702 C2' DG B 23 2.979 -19.974 -2.618 1.00 0.00 C ATOM 703 C1' DG B 23 3.226 -18.491 -2.898 1.00 0.00 C ATOM 704 N9 DG B 23 2.041 -17.649 -2.762 1.00 0.00 N ATOM 705 C8 DG B 23 1.280 -17.118 -3.775 1.00 0.00 C ATOM 706 N7 DG B 23 0.278 -16.402 -3.345 1.00 0.00 N ATOM 707 C5 DG B 23 0.382 -16.463 -1.962 1.00 0.00 C ATOM 708 C6 DG B 23 -0.427 -15.880 -0.954 1.00 0.00 C ATOM 709 O6 DG B 23 -1.427 -15.166 -1.085 1.00 0.00 O ATOM 710 N1 DG B 23 0.032 -16.200 0.320 1.00 0.00 N ATOM 711 C2 DG B 23 1.135 -16.980 0.589 1.00 0.00 C ATOM 712 N2 DG B 23 1.438 -17.187 1.882 1.00 0.00 N ATOM 713 N3 DG B 23 1.896 -17.525 -0.343 1.00 0.00 N ATOM 714 C4 DG B 23 1.466 -17.229 -1.586 1.00 0.00 C ATOM 0 H5' DG B 23 4.588 -18.944 -6.656 1.00 0.00 H new ATOM 0 H5'' DG B 23 4.352 -20.679 -6.583 1.00 0.00 H new ATOM 0 H4' DG B 23 5.136 -19.929 -4.510 1.00 0.00 H new ATOM 0 H3' DG B 23 2.270 -20.890 -4.477 1.00 0.00 H new ATOM 0 H2' DG B 23 1.968 -20.144 -2.248 1.00 0.00 H new ATOM 0 H2'' DG B 23 3.664 -20.353 -1.860 1.00 0.00 H new ATOM 0 H1' DG B 23 3.947 -18.141 -2.159 1.00 0.00 H new ATOM 0 H8 DG B 23 1.490 -17.277 -4.822 1.00 0.00 H new ATOM 0 H1 DG B 23 -0.488 -15.829 1.115 1.00 0.00 H new ATOM 0 H21 DG B 23 2.246 -17.758 2.131 1.00 0.00 H new ATOM 0 H22 DG B 23 0.860 -16.773 2.614 1.00 0.00 H new ATOM 726 P DG B 24 3.025 -23.253 -3.523 1.00 0.00 P ATOM 727 OP1 DG B 24 3.953 -24.410 -3.605 1.00 0.00 O ATOM 728 OP2 DG B 24 1.831 -23.208 -4.405 1.00 0.00 O ATOM 729 O5' DG B 24 2.532 -23.115 -2.015 1.00 0.00 O ATOM 730 C5' DG B 24 3.467 -23.085 -0.934 1.00 0.00 C ATOM 731 C4' DG B 24 2.800 -23.528 0.348 1.00 0.00 C ATOM 732 O4' DG B 24 1.787 -22.568 0.718 1.00 0.00 O ATOM 733 C3' DG B 24 2.061 -24.858 0.271 1.00 0.00 C ATOM 734 O3' DG B 24 2.942 -25.949 0.551 1.00 0.00 O ATOM 735 C2' DG B 24 1.014 -24.725 1.362 1.00 0.00 C ATOM 736 C1' DG B 24 0.750 -23.220 1.441 1.00 0.00 C ATOM 737 N9 DG B 24 -0.527 -22.805 0.868 1.00 0.00 N ATOM 738 C8 DG B 24 -1.110 -23.269 -0.286 1.00 0.00 C ATOM 739 N7 DG B 24 -2.264 -22.715 -0.539 1.00 0.00 N ATOM 740 C5 DG B 24 -2.453 -21.825 0.511 1.00 0.00 C ATOM 741 C6 DG B 24 -3.525 -20.937 0.783 1.00 0.00 C ATOM 742 O6 DG B 24 -4.559 -20.752 0.130 1.00 0.00 O ATOM 743 N1 DG B 24 -3.309 -20.217 1.953 1.00 0.00 N ATOM 744 C2 DG B 24 -2.207 -20.335 2.756 1.00 0.00 C ATOM 745 N2 DG B 24 -2.187 -19.553 3.838 1.00 0.00 N ATOM 746 N3 DG B 24 -1.199 -21.157 2.518 1.00 0.00 N ATOM 747 C4 DG B 24 -1.387 -21.867 1.386 1.00 0.00 C ATOM 0 H5' DG B 24 3.865 -22.077 -0.816 1.00 0.00 H new ATOM 0 H5'' DG B 24 4.312 -23.737 -1.157 1.00 0.00 H new ATOM 0 H4' DG B 24 3.623 -23.622 1.057 1.00 0.00 H new ATOM 0 H3' DG B 24 1.641 -25.060 -0.714 1.00 0.00 H new ATOM 0 H2' DG B 24 0.107 -25.277 1.114 1.00 0.00 H new ATOM 0 H2'' DG B 24 1.376 -25.117 2.312 1.00 0.00 H new ATOM 0 HO3' DG B 24 2.446 -26.792 0.498 1.00 0.00 H new ATOM 0 H1' DG B 24 0.720 -22.953 2.497 1.00 0.00 H new ATOM 0 H8 DG B 24 -0.658 -24.017 -0.920 1.00 0.00 H new ATOM 0 H1 DG B 24 -4.027 -19.550 2.234 1.00 0.00 H new ATOM 0 H21 DG B 24 -1.395 -19.590 4.480 1.00 0.00 H new ATOM 0 H22 DG B 24 -2.964 -18.918 4.023 1.00 0.00 H new TER 760 DG B 24 HETATM 761 PT 1PT A 13 4.813 0.601 -0.858 1.00 0.00 PT HETATM 762 N1 1PT A 13 4.730 2.239 0.331 1.00 0.00 N HETATM 763 N2 1PT A 13 5.488 -0.366 0.789 1.00 0.00 N HETATM 764 C1 1PT A 13 4.831 1.777 1.797 1.00 0.00 C HETATM 765 C2 1PT A 13 5.884 0.685 1.846 1.00 0.00 C HETATM 766 C3 1PT A 13 5.999 0.113 3.220 1.00 0.00 C HETATM 767 C4 1PT A 13 6.405 1.222 4.258 1.00 0.00 C HETATM 768 C5 1PT A 13 5.300 2.387 4.153 1.00 0.00 C HETATM 769 C6 1PT A 13 5.171 2.899 2.737 1.00 0.00 C HETATM 0 H62 1PT A 13 6.105 3.369 2.428 1.00 0.00 H new HETATM 0 H61 1PT A 13 4.398 3.666 2.691 1.00 0.00 H new HETATM 0 H52 1PT A 13 4.336 2.008 4.494 1.00 0.00 H new HETATM 0 H51 1PT A 13 5.572 3.209 4.815 1.00 0.00 H new HETATM 0 H42 1PT A 13 6.439 0.812 5.267 1.00 0.00 H new HETATM 0 H41 1PT A 13 7.399 1.612 4.038 1.00 0.00 H new HETATM 0 H32 1PT A 13 5.049 -0.334 3.513 1.00 0.00 H new HETATM 0 H31 1PT A 13 6.742 -0.685 3.225 1.00 0.00 H new HETATM 0 H2 1PT A 13 6.875 1.077 1.616 1.00 0.00 H new HETATM 0 H1 1PT A 13 3.862 1.406 2.130 1.00 0.00 H new