USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=6 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 28:sc= 0.248 USER MOD Single : A 3 DT C7 :methyl 150:sc= -1.98 (180deg=-1.98) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.55 (180deg=-3.79!) USER MOD Single : A 10 DT C7 :methyl -30:sc= -0.643 (180deg=-2.33!) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot 36:sc= 0.059 USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.594 -21.455 3.109 1.00 0.00 O ATOM 2 C5' DC A 1 -9.297 -20.952 4.415 1.00 0.00 C ATOM 3 C4' DC A 1 -7.901 -20.376 4.463 1.00 0.00 C ATOM 4 O4' DC A 1 -7.031 -21.191 3.652 1.00 0.00 O ATOM 5 C3' DC A 1 -7.768 -18.963 3.899 1.00 0.00 C ATOM 6 O3' DC A 1 -7.791 -18.004 4.961 1.00 0.00 O ATOM 7 C2' DC A 1 -6.407 -18.959 3.214 1.00 0.00 C ATOM 8 C1' DC A 1 -5.924 -20.407 3.257 1.00 0.00 C ATOM 9 N1 DC A 1 -5.436 -20.933 1.971 1.00 0.00 N ATOM 10 C2 DC A 1 -4.163 -21.511 1.919 1.00 0.00 C ATOM 11 O2 DC A 1 -3.482 -21.559 2.954 1.00 0.00 O ATOM 12 N3 DC A 1 -3.707 -22.001 0.744 1.00 0.00 N ATOM 13 C4 DC A 1 -4.470 -21.928 -0.349 1.00 0.00 C ATOM 14 N4 DC A 1 -3.981 -22.424 -1.486 1.00 0.00 N ATOM 15 C5 DC A 1 -5.769 -21.343 -0.326 1.00 0.00 C ATOM 16 C6 DC A 1 -6.208 -20.864 0.844 1.00 0.00 C ATOM 0 H5' DC A 1 -9.390 -21.753 5.148 1.00 0.00 H new ATOM 0 H5'' DC A 1 -10.022 -20.185 4.688 1.00 0.00 H new ATOM 0 H4' DC A 1 -7.644 -20.353 5.522 1.00 0.00 H new ATOM 0 H3' DC A 1 -8.580 -18.704 3.219 1.00 0.00 H new ATOM 0 H2' DC A 1 -6.486 -18.602 2.187 1.00 0.00 H new ATOM 0 H2'' DC A 1 -5.710 -18.298 3.729 1.00 0.00 H new ATOM 0 HO5' DC A 1 -8.764 -21.739 2.671 1.00 0.00 H new ATOM 0 H1' DC A 1 -5.077 -20.447 3.942 1.00 0.00 H new ATOM 0 H41 DC A 1 -4.537 -22.385 -2.340 1.00 0.00 H new ATOM 0 H42 DC A 1 -3.051 -22.842 -1.501 1.00 0.00 H new ATOM 0 H5 DC A 1 -6.376 -21.288 -1.218 1.00 0.00 H new ATOM 0 H6 DC A 1 -7.189 -20.415 0.899 1.00 0.00 H new ATOM 29 P DC A 2 -8.445 -16.554 4.716 1.00 0.00 P ATOM 30 OP1 DC A 2 -9.542 -16.365 5.700 1.00 0.00 O ATOM 31 OP2 DC A 2 -8.732 -16.422 3.264 1.00 0.00 O ATOM 32 O5' DC A 2 -7.269 -15.539 5.071 1.00 0.00 O ATOM 33 C5' DC A 2 -6.778 -15.418 6.407 1.00 0.00 C ATOM 34 C4' DC A 2 -5.270 -15.516 6.424 1.00 0.00 C ATOM 35 O4' DC A 2 -4.837 -16.573 5.538 1.00 0.00 O ATOM 36 C3' DC A 2 -4.531 -14.278 5.928 1.00 0.00 C ATOM 37 O3' DC A 2 -4.356 -13.331 6.987 1.00 0.00 O ATOM 38 C2' DC A 2 -3.197 -14.854 5.491 1.00 0.00 C ATOM 39 C1' DC A 2 -3.578 -16.234 4.961 1.00 0.00 C ATOM 40 N1 DC A 2 -3.713 -16.293 3.497 1.00 0.00 N ATOM 41 C2 DC A 2 -2.606 -16.673 2.733 1.00 0.00 C ATOM 42 O2 DC A 2 -1.548 -16.958 3.311 1.00 0.00 O ATOM 43 N3 DC A 2 -2.716 -16.720 1.386 1.00 0.00 N ATOM 44 C4 DC A 2 -3.874 -16.410 0.802 1.00 0.00 C ATOM 45 N4 DC A 2 -3.936 -16.474 -0.529 1.00 0.00 N ATOM 46 C5 DC A 2 -5.020 -16.021 1.555 1.00 0.00 C ATOM 47 C6 DC A 2 -4.896 -15.977 2.887 1.00 0.00 C ATOM 0 H5' DC A 2 -7.207 -16.202 7.031 1.00 0.00 H new ATOM 0 H5'' DC A 2 -7.092 -14.464 6.832 1.00 0.00 H new ATOM 0 H4' DC A 2 -5.033 -15.677 7.476 1.00 0.00 H new ATOM 0 H3' DC A 2 -5.056 -13.740 5.139 1.00 0.00 H new ATOM 0 H2' DC A 2 -2.725 -14.242 4.722 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.494 -14.920 6.321 1.00 0.00 H new ATOM 0 H1' DC A 2 -2.778 -16.924 5.229 1.00 0.00 H new ATOM 0 H41 DC A 2 -4.805 -16.244 -1.011 1.00 0.00 H new ATOM 0 H42 DC A 2 -3.114 -16.753 -1.065 1.00 0.00 H new ATOM 0 H5 DC A 2 -5.952 -15.771 1.070 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.744 -15.687 3.490 1.00 0.00 H new ATOM 59 P DT A 3 -3.921 -11.821 6.643 1.00 0.00 P ATOM 60 OP1 DT A 3 -4.107 -10.993 7.863 1.00 0.00 O ATOM 61 OP2 DT A 3 -4.604 -11.432 5.383 1.00 0.00 O ATOM 62 O5' DT A 3 -2.360 -11.927 6.339 1.00 0.00 O ATOM 63 C5' DT A 3 -1.428 -12.253 7.373 1.00 0.00 C ATOM 64 C4' DT A 3 -0.011 -12.099 6.869 1.00 0.00 C ATOM 65 O4' DT A 3 0.139 -12.865 5.649 1.00 0.00 O ATOM 66 C3' DT A 3 0.398 -10.667 6.521 1.00 0.00 C ATOM 67 O3' DT A 3 1.766 -10.437 6.878 1.00 0.00 O ATOM 68 C2' DT A 3 0.223 -10.604 5.014 1.00 0.00 C ATOM 69 C1' DT A 3 0.532 -12.021 4.578 1.00 0.00 C ATOM 70 N1 DT A 3 -0.186 -12.462 3.369 1.00 0.00 N ATOM 71 C2 DT A 3 0.548 -12.850 2.270 1.00 0.00 C ATOM 72 O2 DT A 3 1.766 -12.843 2.246 1.00 0.00 O ATOM 73 N3 DT A 3 -0.201 -13.248 1.196 1.00 0.00 N ATOM 74 C4 DT A 3 -1.576 -13.293 1.108 1.00 0.00 C ATOM 75 O4 DT A 3 -2.109 -13.682 0.074 1.00 0.00 O ATOM 76 C5 DT A 3 -2.283 -12.868 2.296 1.00 0.00 C ATOM 77 C7 DT A 3 -3.780 -12.870 2.288 1.00 0.00 C ATOM 78 C6 DT A 3 -1.562 -12.479 3.357 1.00 0.00 C ATOM 0 H5' DT A 3 -1.592 -13.276 7.711 1.00 0.00 H new ATOM 0 H5'' DT A 3 -1.588 -11.604 8.234 1.00 0.00 H new ATOM 0 H4' DT A 3 0.620 -12.440 7.690 1.00 0.00 H new ATOM 0 H3' DT A 3 -0.188 -9.915 7.049 1.00 0.00 H new ATOM 0 H2' DT A 3 -0.789 -10.308 4.737 1.00 0.00 H new ATOM 0 H2'' DT A 3 0.902 -9.884 4.558 1.00 0.00 H new ATOM 0 H1' DT A 3 1.593 -12.067 4.334 1.00 0.00 H new ATOM 0 H3 DT A 3 0.316 -13.544 0.368 1.00 0.00 H new ATOM 0 H71 DT A 3 -4.149 -13.055 3.297 1.00 0.00 H new ATOM 0 H72 DT A 3 -4.143 -11.903 1.940 1.00 0.00 H new ATOM 0 H73 DT A 3 -4.139 -13.654 1.621 1.00 0.00 H new ATOM 0 H6 DT A 3 -2.087 -12.163 4.246 1.00 0.00 H new ATOM 91 P DC A 4 2.401 -8.969 6.710 1.00 0.00 P ATOM 92 OP1 DC A 4 3.625 -8.919 7.549 1.00 0.00 O ATOM 93 OP2 DC A 4 1.326 -7.965 6.921 1.00 0.00 O ATOM 94 O5' DC A 4 2.842 -8.913 5.179 1.00 0.00 O ATOM 95 C5' DC A 4 4.089 -9.466 4.749 1.00 0.00 C ATOM 96 C4' DC A 4 4.827 -8.481 3.872 1.00 0.00 C ATOM 97 O4' DC A 4 4.494 -8.747 2.492 1.00 0.00 O ATOM 98 C3' DC A 4 4.496 -7.008 4.107 1.00 0.00 C ATOM 99 O3' DC A 4 5.660 -6.196 3.915 1.00 0.00 O ATOM 100 C2' DC A 4 3.449 -6.689 3.052 1.00 0.00 C ATOM 101 C1' DC A 4 3.625 -7.754 1.973 1.00 0.00 C ATOM 102 N1 DC A 4 2.382 -8.428 1.549 1.00 0.00 N ATOM 103 C2 DC A 4 2.284 -8.889 0.231 1.00 0.00 C ATOM 104 O2 DC A 4 3.237 -8.707 -0.543 1.00 0.00 O ATOM 105 N3 DC A 4 1.155 -9.518 -0.169 1.00 0.00 N ATOM 106 C4 DC A 4 0.147 -9.687 0.689 1.00 0.00 C ATOM 107 N4 DC A 4 -0.948 -10.308 0.254 1.00 0.00 N ATOM 108 C5 DC A 4 0.216 -9.224 2.034 1.00 0.00 C ATOM 109 C6 DC A 4 1.341 -8.609 2.420 1.00 0.00 C ATOM 0 H5' DC A 4 3.914 -10.391 4.200 1.00 0.00 H new ATOM 0 H5'' DC A 4 4.700 -9.720 5.615 1.00 0.00 H new ATOM 0 H4' DC A 4 5.878 -8.625 4.121 1.00 0.00 H new ATOM 0 H3' DC A 4 4.144 -6.815 5.120 1.00 0.00 H new ATOM 0 H2' DC A 4 2.444 -6.719 3.474 1.00 0.00 H new ATOM 0 H2'' DC A 4 3.594 -5.689 2.644 1.00 0.00 H new ATOM 0 H1' DC A 4 4.011 -7.240 1.093 1.00 0.00 H new ATOM 0 H41 DC A 4 -1.736 -10.453 0.885 1.00 0.00 H new ATOM 0 H42 DC A 4 -0.998 -10.638 -0.710 1.00 0.00 H new ATOM 0 H5 DC A 4 -0.609 -9.364 2.717 1.00 0.00 H new ATOM 0 H6 DC A 4 1.429 -8.250 3.435 1.00 0.00 H new ATOM 121 P DT A 5 5.724 -4.724 4.560 1.00 0.00 P ATOM 122 OP1 DT A 5 6.940 -4.633 5.407 1.00 0.00 O ATOM 123 OP2 DT A 5 4.394 -4.431 5.153 1.00 0.00 O ATOM 124 O5' DT A 5 5.912 -3.758 3.306 1.00 0.00 O ATOM 125 C5' DT A 5 7.169 -3.653 2.632 1.00 0.00 C ATOM 126 C4' DT A 5 6.973 -3.771 1.139 1.00 0.00 C ATOM 127 O4' DT A 5 5.826 -4.610 0.891 1.00 0.00 O ATOM 128 C3' DT A 5 6.687 -2.438 0.448 1.00 0.00 C ATOM 129 O3' DT A 5 7.842 -1.994 -0.271 1.00 0.00 O ATOM 130 C2' DT A 5 5.551 -2.734 -0.518 1.00 0.00 C ATOM 131 C1' DT A 5 5.142 -4.178 -0.267 1.00 0.00 C ATOM 132 N1 DT A 5 3.700 -4.362 -0.024 1.00 0.00 N ATOM 133 C2 DT A 5 2.954 -5.032 -0.969 1.00 0.00 C ATOM 134 O2 DT A 5 3.425 -5.461 -2.008 1.00 0.00 O ATOM 135 N3 DT A 5 1.630 -5.177 -0.653 1.00 0.00 N ATOM 136 C4 DT A 5 0.990 -4.727 0.483 1.00 0.00 C ATOM 137 O4 DT A 5 -0.210 -4.932 0.631 1.00 0.00 O ATOM 138 C5 DT A 5 1.828 -4.025 1.427 1.00 0.00 C ATOM 139 C7 DT A 5 1.219 -3.509 2.694 1.00 0.00 C ATOM 140 C6 DT A 5 3.128 -3.877 1.133 1.00 0.00 C ATOM 0 H5' DT A 5 7.843 -4.436 2.980 1.00 0.00 H new ATOM 0 H5'' DT A 5 7.639 -2.699 2.870 1.00 0.00 H new ATOM 0 H4' DT A 5 7.904 -4.174 0.741 1.00 0.00 H new ATOM 0 H3' DT A 5 6.431 -1.653 1.159 1.00 0.00 H new ATOM 0 H2' DT A 5 4.713 -2.058 -0.351 1.00 0.00 H new ATOM 0 H2'' DT A 5 5.872 -2.595 -1.550 1.00 0.00 H new ATOM 0 H1' DT A 5 5.389 -4.745 -1.164 1.00 0.00 H new ATOM 0 H3 DT A 5 1.053 -5.673 -1.333 1.00 0.00 H new ATOM 0 H71 DT A 5 1.971 -3.503 3.483 1.00 0.00 H new ATOM 0 H72 DT A 5 0.852 -2.495 2.535 1.00 0.00 H new ATOM 0 H73 DT A 5 0.390 -4.153 2.988 1.00 0.00 H new ATOM 0 H6 DT A 5 3.757 -3.352 1.837 1.00 0.00 H new ATOM 153 P DG A 6 8.216 -0.428 -0.299 1.00 0.00 P ATOM 154 OP1 DG A 6 9.660 -0.290 0.012 1.00 0.00 O ATOM 155 OP2 DG A 6 7.215 0.302 0.522 1.00 0.00 O ATOM 156 O5' DG A 6 7.981 -0.002 -1.817 1.00 0.00 O ATOM 157 C5' DG A 6 8.941 -0.312 -2.827 1.00 0.00 C ATOM 158 C4' DG A 6 8.291 -0.276 -4.191 1.00 0.00 C ATOM 159 O4' DG A 6 7.370 -1.388 -4.308 1.00 0.00 O ATOM 160 C3' DG A 6 7.453 0.967 -4.480 1.00 0.00 C ATOM 161 O3' DG A 6 8.253 1.990 -5.080 1.00 0.00 O ATOM 162 C2' DG A 6 6.410 0.440 -5.446 1.00 0.00 C ATOM 163 C1' DG A 6 6.145 -0.945 -4.881 1.00 0.00 C ATOM 164 N9 DG A 6 5.125 -0.966 -3.838 1.00 0.00 N ATOM 165 C8 DG A 6 5.249 -0.486 -2.559 1.00 0.00 C ATOM 166 N7 DG A 6 4.162 -0.609 -1.853 1.00 0.00 N ATOM 167 C5 DG A 6 3.268 -1.235 -2.712 1.00 0.00 C ATOM 168 C6 DG A 6 1.926 -1.644 -2.503 1.00 0.00 C ATOM 169 O6 DG A 6 1.241 -1.538 -1.482 1.00 0.00 O ATOM 170 N1 DG A 6 1.385 -2.231 -3.642 1.00 0.00 N ATOM 171 C2 DG A 6 2.052 -2.405 -4.834 1.00 0.00 C ATOM 172 N2 DG A 6 1.370 -2.984 -5.833 1.00 0.00 N ATOM 173 N3 DG A 6 3.306 -2.033 -5.037 1.00 0.00 N ATOM 174 C4 DG A 6 3.847 -1.460 -3.943 1.00 0.00 C ATOM 0 H5' DG A 6 9.366 -1.299 -2.644 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.764 0.402 -2.789 1.00 0.00 H new ATOM 0 H4' DG A 6 9.126 -0.301 -4.891 1.00 0.00 H new ATOM 0 H3' DG A 6 7.022 1.425 -3.590 1.00 0.00 H new ATOM 0 H2' DG A 6 5.512 1.057 -5.456 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.782 0.401 -6.470 1.00 0.00 H new ATOM 0 H1' DG A 6 5.781 -1.580 -5.689 1.00 0.00 H new ATOM 0 H8 DG A 6 6.159 -0.049 -2.175 1.00 0.00 H new ATOM 0 H1 DG A 6 0.420 -2.558 -3.590 1.00 0.00 H new ATOM 0 H21 DG A 6 1.819 -3.136 -6.736 1.00 0.00 H new ATOM 0 H22 DG A 6 0.402 -3.273 -5.690 1.00 0.00 H new ATOM 186 P DG A 7 8.230 3.478 -4.469 1.00 0.00 P ATOM 187 OP1 DG A 7 9.274 4.265 -5.171 1.00 0.00 O ATOM 188 OP2 DG A 7 8.256 3.381 -2.987 1.00 0.00 O ATOM 189 O5' DG A 7 6.805 4.050 -4.899 1.00 0.00 O ATOM 190 C5' DG A 7 6.231 3.705 -6.159 1.00 0.00 C ATOM 191 C4' DG A 7 4.829 4.256 -6.273 1.00 0.00 C ATOM 192 O4' DG A 7 3.893 3.207 -5.946 1.00 0.00 O ATOM 193 C3' DG A 7 4.488 5.405 -5.332 1.00 0.00 C ATOM 194 O3' DG A 7 4.800 6.658 -5.951 1.00 0.00 O ATOM 195 C2' DG A 7 2.989 5.250 -5.137 1.00 0.00 C ATOM 196 C1' DG A 7 2.734 3.759 -5.341 1.00 0.00 C ATOM 197 N9 DG A 7 2.485 3.022 -4.107 1.00 0.00 N ATOM 198 C8 DG A 7 3.421 2.542 -3.224 1.00 0.00 C ATOM 199 N7 DG A 7 2.891 1.936 -2.195 1.00 0.00 N ATOM 200 C5 DG A 7 1.524 2.011 -2.420 1.00 0.00 C ATOM 201 C6 DG A 7 0.440 1.520 -1.651 1.00 0.00 C ATOM 202 O6 DG A 7 0.473 0.913 -0.576 1.00 0.00 O ATOM 203 N1 DG A 7 -0.783 1.801 -2.251 1.00 0.00 N ATOM 204 C2 DG A 7 -0.941 2.478 -3.436 1.00 0.00 C ATOM 205 N2 DG A 7 -2.197 2.662 -3.852 1.00 0.00 N ATOM 206 N3 DG A 7 0.062 2.943 -4.160 1.00 0.00 N ATOM 207 C4 DG A 7 1.257 2.673 -3.598 1.00 0.00 C ATOM 0 H5' DG A 7 6.212 2.621 -6.271 1.00 0.00 H new ATOM 0 H5'' DG A 7 6.849 4.098 -6.966 1.00 0.00 H new ATOM 0 H4' DG A 7 4.767 4.631 -7.295 1.00 0.00 H new ATOM 0 H3' DG A 7 5.043 5.386 -4.394 1.00 0.00 H new ATOM 0 H2' DG A 7 2.682 5.574 -4.143 1.00 0.00 H new ATOM 0 H2'' DG A 7 2.430 5.851 -5.855 1.00 0.00 H new ATOM 0 H1' DG A 7 1.836 3.668 -5.952 1.00 0.00 H new ATOM 0 H8 DG A 7 4.486 2.654 -3.366 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.626 1.480 -1.775 1.00 0.00 H new ATOM 0 H21 DG A 7 -2.378 3.158 -4.725 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.975 2.307 -3.297 1.00 0.00 H new ATOM 219 P DT A 8 4.592 8.031 -5.137 1.00 0.00 P ATOM 220 OP1 DT A 8 5.596 8.999 -5.646 1.00 0.00 O ATOM 221 OP2 DT A 8 4.540 7.724 -3.685 1.00 0.00 O ATOM 222 O5' DT A 8 3.148 8.534 -5.591 1.00 0.00 O ATOM 223 C5' DT A 8 2.628 8.201 -6.879 1.00 0.00 C ATOM 224 C4' DT A 8 1.127 8.050 -6.816 1.00 0.00 C ATOM 225 O4' DT A 8 0.825 7.041 -5.829 1.00 0.00 O ATOM 226 C3' DT A 8 0.370 9.317 -6.409 1.00 0.00 C ATOM 227 O3' DT A 8 -0.453 9.765 -7.493 1.00 0.00 O ATOM 228 C2' DT A 8 -0.501 8.905 -5.232 1.00 0.00 C ATOM 229 C1' DT A 8 -0.282 7.414 -5.036 1.00 0.00 C ATOM 230 N1 DT A 8 0.022 7.037 -3.644 1.00 0.00 N ATOM 231 C2 DT A 8 -0.952 6.401 -2.908 1.00 0.00 C ATOM 232 O2 DT A 8 -2.054 6.130 -3.352 1.00 0.00 O ATOM 233 N3 DT A 8 -0.588 6.094 -1.625 1.00 0.00 N ATOM 234 C4 DT A 8 0.621 6.354 -1.016 1.00 0.00 C ATOM 235 O4 DT A 8 0.810 5.995 0.141 1.00 0.00 O ATOM 236 C5 DT A 8 1.599 7.026 -1.841 1.00 0.00 C ATOM 237 C7 DT A 8 2.936 7.349 -1.242 1.00 0.00 C ATOM 238 C6 DT A 8 1.260 7.328 -3.107 1.00 0.00 C ATOM 0 H5' DT A 8 3.079 7.274 -7.232 1.00 0.00 H new ATOM 0 H5'' DT A 8 2.892 8.977 -7.597 1.00 0.00 H new ATOM 0 H4' DT A 8 0.804 7.796 -7.826 1.00 0.00 H new ATOM 0 H3' DT A 8 1.047 10.132 -6.151 1.00 0.00 H new ATOM 0 H2' DT A 8 -0.227 9.459 -4.334 1.00 0.00 H new ATOM 0 H2'' DT A 8 -1.551 9.120 -5.432 1.00 0.00 H new ATOM 0 H1' DT A 8 -1.208 6.910 -5.314 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.289 5.620 -1.056 1.00 0.00 H new ATOM 0 H71 DT A 8 2.824 7.515 -0.171 1.00 0.00 H new ATOM 0 H72 DT A 8 3.621 6.518 -1.411 1.00 0.00 H new ATOM 0 H73 DT A 8 3.336 8.249 -1.709 1.00 0.00 H new ATOM 0 H6 DT A 8 1.990 7.821 -3.732 1.00 0.00 H new ATOM 251 P DC A 9 -0.382 11.300 -7.972 1.00 0.00 P ATOM 252 OP1 DC A 9 -0.770 11.329 -9.405 1.00 0.00 O ATOM 253 OP2 DC A 9 0.921 11.877 -7.554 1.00 0.00 O ATOM 254 O5' DC A 9 -1.533 12.021 -7.137 1.00 0.00 O ATOM 255 C5' DC A 9 -2.888 12.016 -7.591 1.00 0.00 C ATOM 256 C4' DC A 9 -3.832 12.033 -6.413 1.00 0.00 C ATOM 257 O4' DC A 9 -3.405 11.039 -5.458 1.00 0.00 O ATOM 258 C3' DC A 9 -3.870 13.344 -5.634 1.00 0.00 C ATOM 259 O3' DC A 9 -4.904 14.195 -6.146 1.00 0.00 O ATOM 260 C2' DC A 9 -4.196 12.905 -4.213 1.00 0.00 C ATOM 261 C1' DC A 9 -3.793 11.431 -4.151 1.00 0.00 C ATOM 262 N1 DC A 9 -2.670 11.139 -3.243 1.00 0.00 N ATOM 263 C2 DC A 9 -2.932 10.472 -2.043 1.00 0.00 C ATOM 264 O2 DC A 9 -4.100 10.151 -1.777 1.00 0.00 O ATOM 265 N3 DC A 9 -1.909 10.190 -1.204 1.00 0.00 N ATOM 266 C4 DC A 9 -0.664 10.549 -1.528 1.00 0.00 C ATOM 267 N4 DC A 9 0.313 10.252 -0.672 1.00 0.00 N ATOM 268 C5 DC A 9 -0.366 11.227 -2.744 1.00 0.00 C ATOM 269 C6 DC A 9 -1.393 11.507 -3.562 1.00 0.00 C ATOM 0 H5' DC A 9 -3.072 11.131 -8.201 1.00 0.00 H new ATOM 0 H5'' DC A 9 -3.070 12.884 -8.225 1.00 0.00 H new ATOM 0 H4' DC A 9 -4.818 11.858 -6.844 1.00 0.00 H new ATOM 0 H3' DC A 9 -2.941 13.910 -5.701 1.00 0.00 H new ATOM 0 H2' DC A 9 -3.645 13.496 -3.481 1.00 0.00 H new ATOM 0 H2'' DC A 9 -5.256 13.034 -3.994 1.00 0.00 H new ATOM 0 H1' DC A 9 -4.654 10.885 -3.766 1.00 0.00 H new ATOM 0 H41 DC A 9 1.276 10.511 -0.887 1.00 0.00 H new ATOM 0 H42 DC A 9 0.098 9.766 0.198 1.00 0.00 H new ATOM 0 H5 DC A 9 0.646 11.505 -2.998 1.00 0.00 H new ATOM 0 H6 DC A 9 -1.207 12.032 -4.487 1.00 0.00 H new ATOM 281 P DT A 10 -4.762 15.794 -6.033 1.00 0.00 P ATOM 282 OP1 DT A 10 -5.606 16.384 -7.103 1.00 0.00 O ATOM 283 OP2 DT A 10 -3.320 16.145 -5.962 1.00 0.00 O ATOM 284 O5' DT A 10 -5.424 16.142 -4.625 1.00 0.00 O ATOM 285 C5' DT A 10 -6.536 17.037 -4.529 1.00 0.00 C ATOM 286 C4' DT A 10 -6.559 17.696 -3.170 1.00 0.00 C ATOM 287 O4' DT A 10 -6.308 16.685 -2.167 1.00 0.00 O ATOM 288 C3' DT A 10 -5.488 18.764 -2.961 1.00 0.00 C ATOM 289 O3' DT A 10 -6.013 20.072 -3.211 1.00 0.00 O ATOM 290 C2' DT A 10 -5.125 18.625 -1.494 1.00 0.00 C ATOM 291 C1' DT A 10 -5.424 17.174 -1.168 1.00 0.00 C ATOM 292 N1 DT A 10 -4.223 16.327 -1.166 1.00 0.00 N ATOM 293 C2 DT A 10 -3.972 15.545 -0.066 1.00 0.00 C ATOM 294 O2 DT A 10 -4.706 15.508 0.905 1.00 0.00 O ATOM 295 N3 DT A 10 -2.826 14.801 -0.145 1.00 0.00 N ATOM 296 C4 DT A 10 -1.935 14.749 -1.197 1.00 0.00 C ATOM 297 O4 DT A 10 -0.954 14.014 -1.128 1.00 0.00 O ATOM 298 C5 DT A 10 -2.267 15.593 -2.325 1.00 0.00 C ATOM 299 C7 DT A 10 -1.409 15.539 -3.550 1.00 0.00 C ATOM 300 C6 DT A 10 -3.375 16.341 -2.250 1.00 0.00 C ATOM 0 H5' DT A 10 -7.466 16.492 -4.693 1.00 0.00 H new ATOM 0 H5'' DT A 10 -6.470 17.796 -5.308 1.00 0.00 H new ATOM 0 H4' DT A 10 -7.536 18.174 -3.094 1.00 0.00 H new ATOM 0 H3' DT A 10 -4.639 18.638 -3.632 1.00 0.00 H new ATOM 0 H2' DT A 10 -4.076 18.863 -1.320 1.00 0.00 H new ATOM 0 H2'' DT A 10 -5.713 19.301 -0.873 1.00 0.00 H new ATOM 0 H1' DT A 10 -5.852 17.135 -0.166 1.00 0.00 H new ATOM 0 H3 DT A 10 -2.606 14.220 0.664 1.00 0.00 H new ATOM 0 H71 DT A 10 -0.387 15.287 -3.267 1.00 0.00 H new ATOM 0 H72 DT A 10 -1.794 14.780 -4.231 1.00 0.00 H new ATOM 0 H73 DT A 10 -1.420 16.510 -4.045 1.00 0.00 H new ATOM 0 H6 DT A 10 -3.615 16.987 -3.081 1.00 0.00 H new ATOM 313 P DC A 11 -5.063 21.361 -3.036 1.00 0.00 P ATOM 314 OP1 DC A 11 -5.847 22.551 -3.453 1.00 0.00 O ATOM 315 OP2 DC A 11 -3.761 21.075 -3.691 1.00 0.00 O ATOM 316 O5' DC A 11 -4.815 21.455 -1.465 1.00 0.00 O ATOM 317 C5' DC A 11 -5.829 21.950 -0.587 1.00 0.00 C ATOM 318 C4' DC A 11 -5.401 21.794 0.854 1.00 0.00 C ATOM 319 O4' DC A 11 -4.642 20.570 1.000 1.00 0.00 O ATOM 320 C3' DC A 11 -4.511 22.917 1.392 1.00 0.00 C ATOM 321 O3' DC A 11 -4.943 23.281 2.708 1.00 0.00 O ATOM 322 C2' DC A 11 -3.118 22.307 1.412 1.00 0.00 C ATOM 323 C1' DC A 11 -3.385 20.826 1.603 1.00 0.00 C ATOM 324 N1 DC A 11 -2.403 19.926 0.974 1.00 0.00 N ATOM 325 C2 DC A 11 -1.844 18.890 1.734 1.00 0.00 C ATOM 326 O2 DC A 11 -2.159 18.782 2.929 1.00 0.00 O ATOM 327 N3 DC A 11 -0.977 18.033 1.148 1.00 0.00 N ATOM 328 C4 DC A 11 -0.662 18.180 -0.140 1.00 0.00 C ATOM 329 N4 DC A 11 0.201 17.301 -0.670 1.00 0.00 N ATOM 330 C5 DC A 11 -1.211 19.234 -0.937 1.00 0.00 C ATOM 331 C6 DC A 11 -2.057 20.082 -0.339 1.00 0.00 C ATOM 0 H5' DC A 11 -6.761 21.410 -0.757 1.00 0.00 H new ATOM 0 H5'' DC A 11 -6.025 23.000 -0.803 1.00 0.00 H new ATOM 0 H4' DC A 11 -6.332 21.804 1.421 1.00 0.00 H new ATOM 0 H3' DC A 11 -4.545 23.827 0.792 1.00 0.00 H new ATOM 0 H2' DC A 11 -2.581 22.502 0.484 1.00 0.00 H new ATOM 0 H2'' DC A 11 -2.513 22.714 2.222 1.00 0.00 H new ATOM 0 H1' DC A 11 -3.337 20.624 2.673 1.00 0.00 H new ATOM 0 H41 DC A 11 0.469 17.377 -1.651 1.00 0.00 H new ATOM 0 H42 DC A 11 0.590 16.556 -0.092 1.00 0.00 H new ATOM 0 H5 DC A 11 -0.953 19.341 -1.980 1.00 0.00 H new ATOM 0 H6 DC A 11 -2.473 20.903 -0.904 1.00 0.00 H new ATOM 343 P DC A 12 -4.694 24.775 3.250 1.00 0.00 P ATOM 344 OP1 DC A 12 -5.964 25.536 3.134 1.00 0.00 O ATOM 345 OP2 DC A 12 -3.465 25.291 2.595 1.00 0.00 O ATOM 346 O5' DC A 12 -4.371 24.569 4.797 1.00 0.00 O ATOM 347 C5' DC A 12 -5.250 23.815 5.638 1.00 0.00 C ATOM 348 C4' DC A 12 -4.478 22.743 6.372 1.00 0.00 C ATOM 349 O4' DC A 12 -3.390 22.306 5.526 1.00 0.00 O ATOM 350 C3' DC A 12 -3.846 23.188 7.695 1.00 0.00 C ATOM 351 O3' DC A 12 -4.141 22.248 8.731 1.00 0.00 O ATOM 352 C2' DC A 12 -2.354 23.202 7.410 1.00 0.00 C ATOM 353 C1' DC A 12 -2.219 22.182 6.300 1.00 0.00 C ATOM 354 N1 DC A 12 -1.065 22.392 5.413 1.00 0.00 N ATOM 355 C2 DC A 12 0.074 21.603 5.585 1.00 0.00 C ATOM 356 O2 DC A 12 0.078 20.742 6.475 1.00 0.00 O ATOM 357 N3 DC A 12 1.142 21.801 4.778 1.00 0.00 N ATOM 358 C4 DC A 12 1.096 22.739 3.831 1.00 0.00 C ATOM 359 N4 DC A 12 2.170 22.900 3.059 1.00 0.00 N ATOM 360 C5 DC A 12 -0.054 23.556 3.632 1.00 0.00 C ATOM 361 C6 DC A 12 -1.102 23.349 4.438 1.00 0.00 C ATOM 0 H5' DC A 12 -6.038 23.360 5.038 1.00 0.00 H new ATOM 0 H5'' DC A 12 -5.737 24.477 6.354 1.00 0.00 H new ATOM 0 H4' DC A 12 -5.207 21.966 6.603 1.00 0.00 H new ATOM 0 H3' DC A 12 -4.220 24.155 8.031 1.00 0.00 H new ATOM 0 H2' DC A 12 -2.010 24.188 7.098 1.00 0.00 H new ATOM 0 H2'' DC A 12 -1.771 22.925 8.288 1.00 0.00 H new ATOM 0 HO3' DC A 12 -3.729 22.545 9.569 1.00 0.00 H new ATOM 0 H1' DC A 12 -2.072 21.202 6.754 1.00 0.00 H new ATOM 0 H41 DC A 12 2.169 23.608 2.325 1.00 0.00 H new ATOM 0 H42 DC A 12 2.993 22.315 3.202 1.00 0.00 H new ATOM 0 H5 DC A 12 -0.079 24.312 2.861 1.00 0.00 H new ATOM 0 H6 DC A 12 -1.992 23.948 4.316 1.00 0.00 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 10.910 17.995 7.532 1.00 0.00 O ATOM 376 C5' DG B 13 10.666 17.333 8.777 1.00 0.00 C ATOM 377 C4' DG B 13 9.290 16.709 8.797 1.00 0.00 C ATOM 378 O4' DG B 13 8.312 17.711 8.413 1.00 0.00 O ATOM 379 C3' DG B 13 9.092 15.546 7.821 1.00 0.00 C ATOM 380 O3' DG B 13 8.226 14.562 8.406 1.00 0.00 O ATOM 381 C2' DG B 13 8.433 16.216 6.630 1.00 0.00 C ATOM 382 C1' DG B 13 7.542 17.217 7.331 1.00 0.00 C ATOM 383 N9 DG B 13 7.123 18.351 6.512 1.00 0.00 N ATOM 384 C8 DG B 13 7.824 18.944 5.492 1.00 0.00 C ATOM 385 N7 DG B 13 7.182 19.932 4.932 1.00 0.00 N ATOM 386 C5 DG B 13 5.982 19.998 5.629 1.00 0.00 C ATOM 387 C6 DG B 13 4.879 20.875 5.475 1.00 0.00 C ATOM 388 O6 DG B 13 4.737 21.796 4.665 1.00 0.00 O ATOM 389 N1 DG B 13 3.868 20.597 6.390 1.00 0.00 N ATOM 390 C2 DG B 13 3.917 19.596 7.339 1.00 0.00 C ATOM 391 N2 DG B 13 2.851 19.460 8.150 1.00 0.00 N ATOM 392 N3 DG B 13 4.944 18.776 7.492 1.00 0.00 N ATOM 393 C4 DG B 13 5.932 19.031 6.610 1.00 0.00 C ATOM 0 H5' DG B 13 10.758 18.046 9.596 1.00 0.00 H new ATOM 0 H5'' DG B 13 11.421 16.563 8.938 1.00 0.00 H new ATOM 0 H4' DG B 13 9.171 16.328 9.811 1.00 0.00 H new ATOM 0 H3' DG B 13 10.012 15.024 7.558 1.00 0.00 H new ATOM 0 H2' DG B 13 9.157 16.696 5.972 1.00 0.00 H new ATOM 0 H2'' DG B 13 7.866 15.512 6.021 1.00 0.00 H new ATOM 0 HO5' DG B 13 10.082 18.412 7.216 1.00 0.00 H new ATOM 0 H1' DG B 13 6.619 16.711 7.616 1.00 0.00 H new ATOM 0 H8 DG B 13 8.809 18.625 5.184 1.00 0.00 H new ATOM 0 H1 DG B 13 3.029 21.176 6.357 1.00 0.00 H new ATOM 0 H21 DG B 13 2.844 18.733 8.866 1.00 0.00 H new ATOM 0 H22 DG B 13 2.050 20.084 8.049 1.00 0.00 H new ATOM 406 P DG B 14 7.929 13.183 7.629 1.00 0.00 P ATOM 407 OP1 DG B 14 8.602 12.102 8.394 1.00 0.00 O ATOM 408 OP2 DG B 14 8.231 13.353 6.185 1.00 0.00 O ATOM 409 O5' DG B 14 6.355 12.989 7.791 1.00 0.00 O ATOM 410 C5' DG B 14 5.700 13.324 9.017 1.00 0.00 C ATOM 411 C4' DG B 14 4.207 13.122 8.897 1.00 0.00 C ATOM 412 O4' DG B 14 3.726 13.801 7.713 1.00 0.00 O ATOM 413 C3' DG B 14 3.756 11.664 8.765 1.00 0.00 C ATOM 414 O3' DG B 14 2.892 11.330 9.856 1.00 0.00 O ATOM 415 C2' DG B 14 2.996 11.614 7.446 1.00 0.00 C ATOM 416 C1' DG B 14 2.647 13.064 7.188 1.00 0.00 C ATOM 417 N9 DG B 14 2.496 13.431 5.784 1.00 0.00 N ATOM 418 C8 DG B 14 3.051 12.803 4.695 1.00 0.00 C ATOM 419 N7 DG B 14 2.768 13.388 3.564 1.00 0.00 N ATOM 420 C5 DG B 14 1.964 14.461 3.925 1.00 0.00 C ATOM 421 C6 DG B 14 1.340 15.455 3.126 1.00 0.00 C ATOM 422 O6 DG B 14 1.375 15.594 1.897 1.00 0.00 O ATOM 423 N1 DG B 14 0.613 16.350 3.901 1.00 0.00 N ATOM 424 C2 DG B 14 0.499 16.302 5.266 1.00 0.00 C ATOM 425 N2 DG B 14 -0.226 17.278 5.829 1.00 0.00 N ATOM 426 N3 DG B 14 1.059 15.374 6.022 1.00 0.00 N ATOM 427 C4 DG B 14 1.778 14.495 5.291 1.00 0.00 C ATOM 0 H5' DG B 14 5.912 14.361 9.277 1.00 0.00 H new ATOM 0 H5'' DG B 14 6.092 12.706 9.825 1.00 0.00 H new ATOM 0 H4' DG B 14 3.799 13.516 9.828 1.00 0.00 H new ATOM 0 H3' DG B 14 4.587 10.959 8.783 1.00 0.00 H new ATOM 0 H2' DG B 14 3.608 11.199 6.645 1.00 0.00 H new ATOM 0 H2'' DG B 14 2.103 10.993 7.520 1.00 0.00 H new ATOM 0 H1' DG B 14 1.677 13.263 7.643 1.00 0.00 H new ATOM 0 H8 DG B 14 3.660 11.914 4.768 1.00 0.00 H new ATOM 0 H1 DG B 14 0.125 17.103 3.415 1.00 0.00 H new ATOM 0 H21 DG B 14 -0.351 17.302 6.841 1.00 0.00 H new ATOM 0 H22 DG B 14 -0.653 17.997 5.245 1.00 0.00 H new ATOM 439 P DA B 15 2.463 9.799 10.102 1.00 0.00 P ATOM 440 OP1 DA B 15 3.131 9.330 11.343 1.00 0.00 O ATOM 441 OP2 DA B 15 2.660 9.050 8.836 1.00 0.00 O ATOM 442 O5' DA B 15 0.897 9.885 10.381 1.00 0.00 O ATOM 443 C5' DA B 15 0.287 11.115 10.778 1.00 0.00 C ATOM 444 C4' DA B 15 -1.113 11.213 10.218 1.00 0.00 C ATOM 445 O4' DA B 15 -1.058 11.904 8.945 1.00 0.00 O ATOM 446 C3' DA B 15 -1.800 9.871 9.946 1.00 0.00 C ATOM 447 O3' DA B 15 -3.151 9.913 10.415 1.00 0.00 O ATOM 448 C2' DA B 15 -1.762 9.740 8.432 1.00 0.00 C ATOM 449 C1' DA B 15 -1.789 11.178 7.975 1.00 0.00 C ATOM 450 N9 DA B 15 -1.177 11.429 6.671 1.00 0.00 N ATOM 451 C8 DA B 15 -0.046 10.858 6.140 1.00 0.00 C ATOM 452 N7 DA B 15 0.256 11.299 4.943 1.00 0.00 N ATOM 453 C5 DA B 15 -0.744 12.221 4.665 1.00 0.00 C ATOM 454 C6 DA B 15 -0.994 13.040 3.548 1.00 0.00 C ATOM 455 N6 DA B 15 -0.212 13.077 2.467 1.00 0.00 N ATOM 456 N1 DA B 15 -2.083 13.838 3.587 1.00 0.00 N ATOM 457 C2 DA B 15 -2.854 13.816 4.684 1.00 0.00 C ATOM 458 N3 DA B 15 -2.718 13.097 5.795 1.00 0.00 N ATOM 459 C4 DA B 15 -1.633 12.309 5.720 1.00 0.00 C ATOM 0 H5' DA B 15 0.886 11.955 10.427 1.00 0.00 H new ATOM 0 H5'' DA B 15 0.256 11.178 11.866 1.00 0.00 H new ATOM 0 H4' DA B 15 -1.690 11.732 10.984 1.00 0.00 H new ATOM 0 H3' DA B 15 -1.318 9.032 10.448 1.00 0.00 H new ATOM 0 H2' DA B 15 -0.864 9.224 8.092 1.00 0.00 H new ATOM 0 H2'' DA B 15 -2.615 9.178 8.052 1.00 0.00 H new ATOM 0 H1' DA B 15 -2.833 11.472 7.869 1.00 0.00 H new ATOM 0 H8 DA B 15 0.540 10.115 6.660 1.00 0.00 H new ATOM 0 H61 DA B 15 -0.447 13.693 1.688 1.00 0.00 H new ATOM 0 H62 DA B 15 0.621 12.490 2.420 1.00 0.00 H new ATOM 0 H2 DA B 15 -3.708 14.477 4.662 1.00 0.00 H new ATOM 471 P DG B 16 -3.714 8.728 11.347 1.00 0.00 P ATOM 472 OP1 DG B 16 -4.764 9.300 12.228 1.00 0.00 O ATOM 473 OP2 DG B 16 -2.558 8.019 11.952 1.00 0.00 O ATOM 474 O5' DG B 16 -4.418 7.736 10.316 1.00 0.00 O ATOM 475 C5' DG B 16 -5.433 8.203 9.427 1.00 0.00 C ATOM 476 C4' DG B 16 -5.476 7.345 8.183 1.00 0.00 C ATOM 477 O4' DG B 16 -4.672 7.968 7.158 1.00 0.00 O ATOM 478 C3' DG B 16 -4.922 5.925 8.348 1.00 0.00 C ATOM 479 O3' DG B 16 -5.981 4.974 8.201 1.00 0.00 O ATOM 480 C2' DG B 16 -3.907 5.772 7.221 1.00 0.00 C ATOM 481 C1' DG B 16 -4.184 6.954 6.313 1.00 0.00 C ATOM 482 N9 DG B 16 -3.021 7.481 5.604 1.00 0.00 N ATOM 483 C8 DG B 16 -1.703 7.386 5.979 1.00 0.00 C ATOM 484 N7 DG B 16 -0.886 7.963 5.140 1.00 0.00 N ATOM 485 C5 DG B 16 -1.717 8.469 4.149 1.00 0.00 C ATOM 486 C6 DG B 16 -1.405 9.198 2.973 1.00 0.00 C ATOM 487 O6 DG B 16 -0.297 9.552 2.557 1.00 0.00 O ATOM 488 N1 DG B 16 -2.550 9.517 2.250 1.00 0.00 N ATOM 489 C2 DG B 16 -3.833 9.175 2.611 1.00 0.00 C ATOM 490 N2 DG B 16 -4.820 9.564 1.791 1.00 0.00 N ATOM 491 N3 DG B 16 -4.134 8.497 3.704 1.00 0.00 N ATOM 492 C4 DG B 16 -3.036 8.179 4.421 1.00 0.00 C ATOM 0 H5' DG B 16 -5.239 9.240 9.155 1.00 0.00 H new ATOM 0 H5'' DG B 16 -6.402 8.181 9.926 1.00 0.00 H new ATOM 0 H4' DG B 16 -6.535 7.264 7.936 1.00 0.00 H new ATOM 0 H3' DG B 16 -4.473 5.759 9.327 1.00 0.00 H new ATOM 0 H2' DG B 16 -2.885 5.791 7.599 1.00 0.00 H new ATOM 0 H2'' DG B 16 -4.035 4.826 6.695 1.00 0.00 H new ATOM 0 H1' DG B 16 -4.873 6.625 5.535 1.00 0.00 H new ATOM 0 H8 DG B 16 -1.376 6.884 6.878 1.00 0.00 H new ATOM 0 H1 DG B 16 -2.429 10.045 1.386 1.00 0.00 H new ATOM 0 H21 DG B 16 -5.789 9.335 2.014 1.00 0.00 H new ATOM 0 H22 DG B 16 -4.602 10.089 0.944 1.00 0.00 H new ATOM 504 P DA B 17 -5.718 3.421 8.529 1.00 0.00 P ATOM 505 OP1 DA B 17 -6.457 3.078 9.771 1.00 0.00 O ATOM 506 OP2 DA B 17 -4.255 3.174 8.454 1.00 0.00 O ATOM 507 O5' DA B 17 -6.406 2.655 7.314 1.00 0.00 O ATOM 508 C5' DA B 17 -7.619 3.140 6.732 1.00 0.00 C ATOM 509 C4' DA B 17 -7.658 2.816 5.256 1.00 0.00 C ATOM 510 O4' DA B 17 -6.658 3.616 4.577 1.00 0.00 O ATOM 511 C3' DA B 17 -7.351 1.358 4.906 1.00 0.00 C ATOM 512 O3' DA B 17 -8.235 0.897 3.880 1.00 0.00 O ATOM 513 C2' DA B 17 -5.921 1.402 4.397 1.00 0.00 C ATOM 514 C1' DA B 17 -5.835 2.783 3.782 1.00 0.00 C ATOM 515 N9 DA B 17 -4.490 3.358 3.771 1.00 0.00 N ATOM 516 C8 DA B 17 -3.546 3.294 4.765 1.00 0.00 C ATOM 517 N7 DA B 17 -2.422 3.896 4.463 1.00 0.00 N ATOM 518 C5 DA B 17 -2.642 4.394 3.187 1.00 0.00 C ATOM 519 C6 DA B 17 -1.833 5.133 2.310 1.00 0.00 C ATOM 520 N6 DA B 17 -0.595 5.525 2.605 1.00 0.00 N ATOM 521 N1 DA B 17 -2.349 5.465 1.106 1.00 0.00 N ATOM 522 C2 DA B 17 -3.601 5.085 0.820 1.00 0.00 C ATOM 523 N3 DA B 17 -4.462 4.393 1.565 1.00 0.00 N ATOM 524 C4 DA B 17 -3.913 4.072 2.749 1.00 0.00 C ATOM 0 H5' DA B 17 -7.695 4.218 6.877 1.00 0.00 H new ATOM 0 H5'' DA B 17 -8.476 2.690 7.233 1.00 0.00 H new ATOM 0 H4' DA B 17 -8.681 3.024 4.944 1.00 0.00 H new ATOM 0 H3' DA B 17 -7.477 0.681 5.751 1.00 0.00 H new ATOM 0 H2' DA B 17 -5.199 1.271 5.203 1.00 0.00 H new ATOM 0 H2'' DA B 17 -5.727 0.619 3.664 1.00 0.00 H new ATOM 0 H1' DA B 17 -6.141 2.707 2.738 1.00 0.00 H new ATOM 0 H8 DA B 17 -3.714 2.794 5.708 1.00 0.00 H new ATOM 0 H61 DA B 17 -0.054 6.061 1.926 1.00 0.00 H new ATOM 0 H62 DA B 17 -0.188 5.289 3.510 1.00 0.00 H new ATOM 0 H2 DA B 17 -3.964 5.382 -0.153 1.00 0.00 H new ATOM 536 P DC B 18 -8.387 -0.680 3.607 1.00 0.00 P ATOM 537 OP1 DC B 18 -9.716 -1.107 4.113 1.00 0.00 O ATOM 538 OP2 DC B 18 -7.161 -1.353 4.109 1.00 0.00 O ATOM 539 O5' DC B 18 -8.394 -0.799 2.019 1.00 0.00 O ATOM 540 C5' DC B 18 -9.352 -0.091 1.233 1.00 0.00 C ATOM 541 C4' DC B 18 -8.681 0.537 0.034 1.00 0.00 C ATOM 542 O4' DC B 18 -7.544 1.307 0.475 1.00 0.00 O ATOM 543 C3' DC B 18 -8.112 -0.449 -0.978 1.00 0.00 C ATOM 544 O3' DC B 18 -9.100 -0.791 -1.957 1.00 0.00 O ATOM 545 C2' DC B 18 -6.973 0.327 -1.616 1.00 0.00 C ATOM 546 C1' DC B 18 -6.585 1.373 -0.571 1.00 0.00 C ATOM 547 N1 DC B 18 -5.252 1.155 0.015 1.00 0.00 N ATOM 548 C2 DC B 18 -4.143 1.709 -0.624 1.00 0.00 C ATOM 549 O2 DC B 18 -4.316 2.375 -1.653 1.00 0.00 O ATOM 550 N3 DC B 18 -2.911 1.506 -0.107 1.00 0.00 N ATOM 551 C4 DC B 18 -2.767 0.786 1.006 1.00 0.00 C ATOM 552 N4 DC B 18 -1.533 0.616 1.480 1.00 0.00 N ATOM 553 C5 DC B 18 -3.883 0.211 1.684 1.00 0.00 C ATOM 554 C6 DC B 18 -5.096 0.419 1.156 1.00 0.00 C ATOM 0 H5' DC B 18 -9.830 0.680 1.837 1.00 0.00 H new ATOM 0 H5'' DC B 18 -10.138 -0.771 0.904 1.00 0.00 H new ATOM 0 H4' DC B 18 -9.470 1.118 -0.444 1.00 0.00 H new ATOM 0 H3' DC B 18 -7.792 -1.389 -0.529 1.00 0.00 H new ATOM 0 H2' DC B 18 -6.133 -0.326 -1.854 1.00 0.00 H new ATOM 0 H2'' DC B 18 -7.287 0.796 -2.549 1.00 0.00 H new ATOM 0 H1' DC B 18 -6.559 2.343 -1.068 1.00 0.00 H new ATOM 0 H41 DC B 18 -1.383 0.071 2.329 1.00 0.00 H new ATOM 0 H42 DC B 18 -0.738 1.031 0.993 1.00 0.00 H new ATOM 0 H5 DC B 18 -3.755 -0.368 2.586 1.00 0.00 H new ATOM 0 H6 DC B 18 -5.965 -0.002 1.640 1.00 0.00 H new ATOM 566 P DC B 19 -8.942 -2.144 -2.812 1.00 0.00 P ATOM 567 OP1 DC B 19 -10.086 -2.197 -3.756 1.00 0.00 O ATOM 568 OP2 DC B 19 -8.720 -3.267 -1.866 1.00 0.00 O ATOM 569 O5' DC B 19 -7.601 -1.923 -3.646 1.00 0.00 O ATOM 570 C5' DC B 19 -7.614 -1.889 -5.077 1.00 0.00 C ATOM 571 C4' DC B 19 -6.595 -2.858 -5.630 1.00 0.00 C ATOM 572 O4' DC B 19 -5.279 -2.275 -5.513 1.00 0.00 O ATOM 573 C3' DC B 19 -6.513 -4.193 -4.897 1.00 0.00 C ATOM 574 O3' DC B 19 -7.392 -5.142 -5.512 1.00 0.00 O ATOM 575 C2' DC B 19 -5.061 -4.600 -5.078 1.00 0.00 C ATOM 576 C1' DC B 19 -4.315 -3.275 -5.209 1.00 0.00 C ATOM 577 N1 DC B 19 -3.598 -2.849 -3.996 1.00 0.00 N ATOM 578 C2 DC B 19 -2.260 -2.461 -4.109 1.00 0.00 C ATOM 579 O2 DC B 19 -1.714 -2.507 -5.220 1.00 0.00 O ATOM 580 N3 DC B 19 -1.595 -2.047 -3.005 1.00 0.00 N ATOM 581 C4 DC B 19 -2.216 -2.021 -1.825 1.00 0.00 C ATOM 582 N4 DC B 19 -1.522 -1.610 -0.763 1.00 0.00 N ATOM 583 C5 DC B 19 -3.578 -2.418 -1.678 1.00 0.00 C ATOM 584 C6 DC B 19 -4.224 -2.821 -2.781 1.00 0.00 C ATOM 0 H5' DC B 19 -7.394 -0.880 -5.426 1.00 0.00 H new ATOM 0 H5'' DC B 19 -8.607 -2.145 -5.445 1.00 0.00 H new ATOM 0 H4' DC B 19 -6.916 -3.045 -6.655 1.00 0.00 H new ATOM 0 H3' DC B 19 -6.807 -4.137 -3.849 1.00 0.00 H new ATOM 0 H2' DC B 19 -4.700 -5.178 -4.227 1.00 0.00 H new ATOM 0 H2'' DC B 19 -4.929 -5.221 -5.964 1.00 0.00 H new ATOM 0 H1' DC B 19 -3.560 -3.413 -5.983 1.00 0.00 H new ATOM 0 H41 DC B 19 -1.966 -1.578 0.155 1.00 0.00 H new ATOM 0 H42 DC B 19 -0.547 -1.328 -0.869 1.00 0.00 H new ATOM 0 H5 DC B 19 -4.069 -2.395 -0.716 1.00 0.00 H new ATOM 0 H6 DC B 19 -5.257 -3.129 -2.709 1.00 0.00 H new ATOM 596 P DA B 20 -7.437 -6.658 -4.974 1.00 0.00 P ATOM 597 OP1 DA B 20 -8.729 -7.242 -5.415 1.00 0.00 O ATOM 598 OP2 DA B 20 -7.087 -6.658 -3.531 1.00 0.00 O ATOM 599 O5' DA B 20 -6.267 -7.387 -5.774 1.00 0.00 O ATOM 600 C5' DA B 20 -6.226 -7.364 -7.202 1.00 0.00 C ATOM 601 C4' DA B 20 -4.873 -7.823 -7.698 1.00 0.00 C ATOM 602 O4' DA B 20 -3.836 -7.175 -6.924 1.00 0.00 O ATOM 603 C3' DA B 20 -4.605 -9.319 -7.560 1.00 0.00 C ATOM 604 O3' DA B 20 -3.708 -9.755 -8.588 1.00 0.00 O ATOM 605 C2' DA B 20 -3.955 -9.422 -6.192 1.00 0.00 C ATOM 606 C1' DA B 20 -3.173 -8.119 -6.091 1.00 0.00 C ATOM 607 N9 DA B 20 -3.112 -7.553 -4.745 1.00 0.00 N ATOM 608 C8 DA B 20 -4.121 -7.497 -3.816 1.00 0.00 C ATOM 609 N7 DA B 20 -3.778 -6.906 -2.698 1.00 0.00 N ATOM 610 C5 DA B 20 -2.450 -6.558 -2.901 1.00 0.00 C ATOM 611 C6 DA B 20 -1.513 -5.906 -2.086 1.00 0.00 C ATOM 612 N6 DA B 20 -1.785 -5.462 -0.860 1.00 0.00 N ATOM 613 N1 DA B 20 -0.270 -5.718 -2.582 1.00 0.00 N ATOM 614 C2 DA B 20 -0.002 -6.157 -3.819 1.00 0.00 C ATOM 615 N3 DA B 20 -0.801 -6.783 -4.681 1.00 0.00 N ATOM 616 C4 DA B 20 -2.026 -6.955 -4.155 1.00 0.00 C ATOM 0 H5' DA B 20 -6.429 -6.355 -7.562 1.00 0.00 H new ATOM 0 H5'' DA B 20 -7.006 -8.010 -7.605 1.00 0.00 H new ATOM 0 H4' DA B 20 -4.870 -7.568 -8.758 1.00 0.00 H new ATOM 0 H3' DA B 20 -5.498 -9.937 -7.654 1.00 0.00 H new ATOM 0 H2' DA B 20 -4.696 -9.512 -5.398 1.00 0.00 H new ATOM 0 H2'' DA B 20 -3.303 -10.292 -6.119 1.00 0.00 H new ATOM 0 H1' DA B 20 -2.146 -8.333 -6.386 1.00 0.00 H new ATOM 0 H8 DA B 20 -5.107 -7.903 -3.990 1.00 0.00 H new ATOM 0 H61 DA B 20 -1.061 -4.995 -0.315 1.00 0.00 H new ATOM 0 H62 DA B 20 -2.717 -5.589 -0.467 1.00 0.00 H new ATOM 0 H2 DA B 20 1.005 -5.978 -4.166 1.00 0.00 H new ATOM 628 P DG B 21 -3.778 -11.270 -9.123 1.00 0.00 P ATOM 629 OP1 DG B 21 -4.399 -11.255 -10.472 1.00 0.00 O ATOM 630 OP2 DG B 21 -4.378 -12.103 -8.050 1.00 0.00 O ATOM 631 O5' DG B 21 -2.250 -11.696 -9.278 1.00 0.00 O ATOM 632 C5' DG B 21 -1.502 -11.337 -10.442 1.00 0.00 C ATOM 633 C4' DG B 21 -0.039 -11.184 -10.097 1.00 0.00 C ATOM 634 O4' DG B 21 0.119 -10.088 -9.163 1.00 0.00 O ATOM 635 C3' DG B 21 0.596 -12.391 -9.412 1.00 0.00 C ATOM 636 O3' DG B 21 1.166 -13.274 -10.383 1.00 0.00 O ATOM 637 C2' DG B 21 1.674 -11.757 -8.554 1.00 0.00 C ATOM 638 C1' DG B 21 1.020 -10.454 -8.124 1.00 0.00 C ATOM 639 N9 DG B 21 0.259 -10.546 -6.882 1.00 0.00 N ATOM 640 C8 DG B 21 -0.986 -11.099 -6.714 1.00 0.00 C ATOM 641 N7 DG B 21 -1.414 -11.042 -5.483 1.00 0.00 N ATOM 642 C5 DG B 21 -0.387 -10.410 -4.794 1.00 0.00 C ATOM 643 C6 DG B 21 -0.276 -10.068 -3.424 1.00 0.00 C ATOM 644 O6 DG B 21 -1.090 -10.260 -2.515 1.00 0.00 O ATOM 645 N1 DG B 21 0.932 -9.436 -3.150 1.00 0.00 N ATOM 646 C2 DG B 21 1.909 -9.170 -4.075 1.00 0.00 C ATOM 647 N2 DG B 21 3.002 -8.557 -3.611 1.00 0.00 N ATOM 648 N3 DG B 21 1.820 -9.484 -5.356 1.00 0.00 N ATOM 649 C4 DG B 21 0.653 -10.098 -5.644 1.00 0.00 C ATOM 0 H5' DG B 21 -1.885 -10.404 -10.855 1.00 0.00 H new ATOM 0 H5'' DG B 21 -1.624 -12.100 -11.211 1.00 0.00 H new ATOM 0 H4' DG B 21 0.453 -11.033 -11.058 1.00 0.00 H new ATOM 0 H3' DG B 21 -0.110 -12.994 -8.840 1.00 0.00 H new ATOM 0 H2' DG B 21 1.935 -12.382 -7.700 1.00 0.00 H new ATOM 0 H2'' DG B 21 2.592 -11.585 -9.116 1.00 0.00 H new ATOM 0 H1' DG B 21 1.813 -9.728 -7.947 1.00 0.00 H new ATOM 0 H8 DG B 21 -1.555 -11.538 -7.521 1.00 0.00 H new ATOM 0 H1 DG B 21 1.105 -9.148 -2.187 1.00 0.00 H new ATOM 0 H21 DG B 21 3.767 -8.330 -4.246 1.00 0.00 H new ATOM 0 H22 DG B 21 3.071 -8.316 -2.622 1.00 0.00 H new ATOM 661 P DA B 22 1.224 -14.854 -10.087 1.00 0.00 P ATOM 662 OP1 DA B 22 1.696 -15.517 -11.330 1.00 0.00 O ATOM 663 OP2 DA B 22 -0.067 -15.268 -9.481 1.00 0.00 O ATOM 664 O5' DA B 22 2.364 -14.996 -8.985 1.00 0.00 O ATOM 665 C5' DA B 22 3.644 -14.393 -9.170 1.00 0.00 C ATOM 666 C4' DA B 22 4.471 -14.529 -7.913 1.00 0.00 C ATOM 667 O4' DA B 22 4.089 -13.503 -6.966 1.00 0.00 O ATOM 668 C3' DA B 22 4.284 -15.841 -7.164 1.00 0.00 C ATOM 669 O3' DA B 22 5.180 -16.834 -7.669 1.00 0.00 O ATOM 670 C2' DA B 22 4.632 -15.453 -5.740 1.00 0.00 C ATOM 671 C1' DA B 22 4.062 -14.044 -5.649 1.00 0.00 C ATOM 672 N9 DA B 22 2.682 -13.985 -5.166 1.00 0.00 N ATOM 673 C8 DA B 22 1.530 -14.234 -5.871 1.00 0.00 C ATOM 674 N7 DA B 22 0.436 -14.099 -5.161 1.00 0.00 N ATOM 675 C5 DA B 22 0.899 -13.736 -3.903 1.00 0.00 C ATOM 676 C6 DA B 22 0.235 -13.444 -2.698 1.00 0.00 C ATOM 677 N6 DA B 22 -1.092 -13.470 -2.557 1.00 0.00 N ATOM 678 N1 DA B 22 0.992 -13.120 -1.627 1.00 0.00 N ATOM 679 C2 DA B 22 2.324 -13.091 -1.768 1.00 0.00 C ATOM 680 N3 DA B 22 3.062 -13.342 -2.848 1.00 0.00 N ATOM 681 C4 DA B 22 2.280 -13.663 -3.892 1.00 0.00 C ATOM 0 H5' DA B 22 3.525 -13.340 -9.423 1.00 0.00 H new ATOM 0 H5'' DA B 22 4.159 -14.866 -10.006 1.00 0.00 H new ATOM 0 H4' DA B 22 5.502 -14.459 -8.260 1.00 0.00 H new ATOM 0 H3' DA B 22 3.287 -16.272 -7.260 1.00 0.00 H new ATOM 0 H2' DA B 22 4.178 -16.125 -5.011 1.00 0.00 H new ATOM 0 H2'' DA B 22 5.707 -15.471 -5.563 1.00 0.00 H new ATOM 0 H1' DA B 22 4.666 -13.489 -4.930 1.00 0.00 H new ATOM 0 H8 DA B 22 1.526 -14.515 -6.914 1.00 0.00 H new ATOM 0 H61 DA B 22 -1.513 -13.248 -1.655 1.00 0.00 H new ATOM 0 H62 DA B 22 -1.685 -13.712 -3.351 1.00 0.00 H new ATOM 0 H2 DA B 22 2.878 -12.826 -0.880 1.00 0.00 H new ATOM 693 P DG B 23 4.649 -18.331 -7.922 1.00 0.00 P ATOM 694 OP1 DG B 23 5.583 -18.973 -8.880 1.00 0.00 O ATOM 695 OP2 DG B 23 3.198 -18.273 -8.237 1.00 0.00 O ATOM 696 O5' DG B 23 4.829 -19.039 -6.506 1.00 0.00 O ATOM 697 C5' DG B 23 5.972 -18.769 -5.691 1.00 0.00 C ATOM 698 C4' DG B 23 5.613 -18.884 -4.229 1.00 0.00 C ATOM 699 O4' DG B 23 4.773 -17.777 -3.848 1.00 0.00 O ATOM 700 C3' DG B 23 4.802 -20.116 -3.852 1.00 0.00 C ATOM 701 O3' DG B 23 5.664 -21.235 -3.619 1.00 0.00 O ATOM 702 C2' DG B 23 4.119 -19.678 -2.569 1.00 0.00 C ATOM 703 C1' DG B 23 3.992 -18.160 -2.723 1.00 0.00 C ATOM 704 N9 DG B 23 2.623 -17.704 -2.946 1.00 0.00 N ATOM 705 C8 DG B 23 1.985 -17.544 -4.151 1.00 0.00 C ATOM 706 N7 DG B 23 0.750 -17.141 -4.030 1.00 0.00 N ATOM 707 C5 DG B 23 0.562 -17.024 -2.659 1.00 0.00 C ATOM 708 C6 DG B 23 -0.581 -16.628 -1.917 1.00 0.00 C ATOM 709 O6 DG B 23 -1.694 -16.291 -2.336 1.00 0.00 O ATOM 710 N1 DG B 23 -0.335 -16.648 -0.547 1.00 0.00 N ATOM 711 C2 DG B 23 0.861 -17.005 0.036 1.00 0.00 C ATOM 712 N2 DG B 23 0.925 -16.972 1.378 1.00 0.00 N ATOM 713 N3 DG B 23 1.931 -17.373 -0.648 1.00 0.00 N ATOM 714 C4 DG B 23 1.712 -17.361 -1.977 1.00 0.00 C ATOM 0 H5' DG B 23 6.349 -17.768 -5.902 1.00 0.00 H new ATOM 0 H5'' DG B 23 6.772 -19.469 -5.932 1.00 0.00 H new ATOM 0 H4' DG B 23 6.580 -18.923 -3.727 1.00 0.00 H new ATOM 0 H3' DG B 23 4.105 -20.438 -4.626 1.00 0.00 H new ATOM 0 H2' DG B 23 3.144 -20.151 -2.453 1.00 0.00 H new ATOM 0 H2'' DG B 23 4.708 -19.943 -1.691 1.00 0.00 H new ATOM 0 H1' DG B 23 4.330 -17.707 -1.791 1.00 0.00 H new ATOM 0 H8 DG B 23 2.458 -17.733 -5.103 1.00 0.00 H new ATOM 0 H1 DG B 23 -1.099 -16.378 0.073 1.00 0.00 H new ATOM 0 H21 DG B 23 1.790 -17.228 1.854 1.00 0.00 H new ATOM 0 H22 DG B 23 0.108 -16.691 1.921 1.00 0.00 H new ATOM 726 P DG B 24 5.174 -22.717 -4.007 1.00 0.00 P ATOM 727 OP1 DG B 24 6.242 -23.362 -4.813 1.00 0.00 O ATOM 728 OP2 DG B 24 3.798 -22.617 -4.561 1.00 0.00 O ATOM 729 O5' DG B 24 5.081 -23.475 -2.608 1.00 0.00 O ATOM 730 C5' DG B 24 6.209 -23.544 -1.731 1.00 0.00 C ATOM 731 C4' DG B 24 5.809 -24.168 -0.414 1.00 0.00 C ATOM 732 O4' DG B 24 4.762 -23.366 0.184 1.00 0.00 O ATOM 733 C3' DG B 24 5.241 -25.583 -0.517 1.00 0.00 C ATOM 734 O3' DG B 24 6.261 -26.557 -0.270 1.00 0.00 O ATOM 735 C2' DG B 24 4.196 -25.620 0.582 1.00 0.00 C ATOM 736 C1' DG B 24 3.686 -24.189 0.609 1.00 0.00 C ATOM 737 N9 DG B 24 2.550 -23.930 -0.273 1.00 0.00 N ATOM 738 C8 DG B 24 2.461 -24.209 -1.614 1.00 0.00 C ATOM 739 N7 DG B 24 1.317 -23.864 -2.137 1.00 0.00 N ATOM 740 C5 DG B 24 0.605 -23.322 -1.076 1.00 0.00 C ATOM 741 C6 DG B 24 -0.703 -22.774 -1.030 1.00 0.00 C ATOM 742 O6 DG B 24 -1.521 -22.655 -1.949 1.00 0.00 O ATOM 743 N1 DG B 24 -1.028 -22.338 0.250 1.00 0.00 N ATOM 744 C2 DG B 24 -0.206 -22.417 1.342 1.00 0.00 C ATOM 745 N2 DG B 24 -0.707 -21.940 2.484 1.00 0.00 N ATOM 746 N3 DG B 24 1.013 -22.925 1.316 1.00 0.00 N ATOM 747 C4 DG B 24 1.353 -23.355 0.083 1.00 0.00 C ATOM 0 H5' DG B 24 6.609 -22.544 -1.561 1.00 0.00 H new ATOM 0 H5'' DG B 24 7.003 -24.130 -2.193 1.00 0.00 H new ATOM 0 H4' DG B 24 6.729 -24.213 0.169 1.00 0.00 H new ATOM 0 H3' DG B 24 4.837 -25.809 -1.504 1.00 0.00 H new ATOM 0 H2' DG B 24 3.399 -26.329 0.359 1.00 0.00 H new ATOM 0 H2'' DG B 24 4.626 -25.914 1.539 1.00 0.00 H new ATOM 0 HO3' DG B 24 5.878 -27.456 -0.339 1.00 0.00 H new ATOM 0 H1' DG B 24 3.338 -23.986 1.622 1.00 0.00 H new ATOM 0 H8 DG B 24 3.258 -24.668 -2.179 1.00 0.00 H new ATOM 0 H1 DG B 24 -1.952 -21.927 0.386 1.00 0.00 H new ATOM 0 H21 DG B 24 -0.148 -21.967 3.337 1.00 0.00 H new ATOM 0 H22 DG B 24 -1.649 -21.548 2.503 1.00 0.00 H new TER 760 DG B 24 HETATM 761 PT 1PT A 13 3.713 0.939 -0.652 1.00 0.00 PT HETATM 762 N1 1PT A 13 3.271 2.434 0.642 1.00 0.00 N HETATM 763 N2 1PT A 13 4.523 0.005 0.951 1.00 0.00 N HETATM 764 C1 1PT A 13 3.409 1.883 2.076 1.00 0.00 C HETATM 765 C2 1PT A 13 4.657 1.022 2.102 1.00 0.00 C HETATM 766 C3 1PT A 13 4.832 0.372 3.434 1.00 0.00 C HETATM 767 C4 1PT A 13 4.964 1.450 4.571 1.00 0.00 C HETATM 768 C5 1PT A 13 3.652 2.378 4.491 1.00 0.00 C HETATM 769 C6 1PT A 13 3.477 2.968 3.111 1.00 0.00 C HETATM 0 H62 1PT A 13 4.307 3.638 2.889 1.00 0.00 H new HETATM 0 H61 1PT A 13 2.567 3.566 3.078 1.00 0.00 H new HETATM 0 H52 1PT A 13 2.772 1.790 4.751 1.00 0.00 H new HETATM 0 H51 1PT A 13 3.727 3.181 5.225 1.00 0.00 H new HETATM 0 H42 1PT A 13 5.040 0.973 5.548 1.00 0.00 H new HETATM 0 H41 1PT A 13 5.867 2.045 4.435 1.00 0.00 H new HETATM 0 H32 1PT A 13 3.982 -0.278 3.640 1.00 0.00 H new HETATM 0 H31 1PT A 13 5.720 -0.260 3.421 1.00 0.00 H new HETATM 0 H2 1PT A 13 5.556 1.620 1.956 1.00 0.00 H new HETATM 0 H1 1PT A 13 2.523 1.300 2.330 1.00 0.00 H new