USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 173 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 Set 1.1: A 3 DT C7 :methyl -30:sc= -0.0118 (180deg=0) USER MOD Set 1.2: A 4 DT C7 :methyl 150:sc= -1.03 (180deg=-1.02) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.735 (180deg=-0.735) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.168 (180deg=-0.168) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl 150:sc= -2.69 (180deg=-2.69) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.381 9.431 -0.683 1.00 0.00 O ATOM 2 C5' DG A 1 -2.790 8.464 0.291 1.00 0.00 C ATOM 3 C4' DG A 1 -2.589 8.966 1.737 1.00 0.00 C ATOM 4 O4' DG A 1 -2.956 7.979 2.719 1.00 0.00 O ATOM 5 C3' DG A 1 -1.141 9.287 2.043 1.00 0.00 C ATOM 6 O3' DG A 1 -1.000 10.258 3.087 1.00 0.00 O ATOM 7 C2' DG A 1 -0.629 7.940 2.439 1.00 0.00 C ATOM 8 C1' DG A 1 -1.742 7.451 3.299 1.00 0.00 C ATOM 9 N9 DG A 1 -1.794 5.989 3.380 1.00 0.00 N ATOM 10 C8 DG A 1 -1.577 5.194 4.440 1.00 0.00 C ATOM 11 N7 DG A 1 -1.725 3.909 4.249 1.00 0.00 N ATOM 12 C5 DG A 1 -2.078 3.867 2.895 1.00 0.00 C ATOM 13 C6 DG A 1 -2.383 2.766 2.047 1.00 0.00 C ATOM 14 O6 DG A 1 -2.417 1.572 2.321 1.00 0.00 O ATOM 15 N1 DG A 1 -2.685 3.177 0.755 1.00 0.00 N ATOM 16 C2 DG A 1 -2.693 4.494 0.333 1.00 0.00 C ATOM 17 N2 DG A 1 -3.000 4.762 -0.928 1.00 0.00 N ATOM 18 N3 DG A 1 -2.411 5.519 1.122 1.00 0.00 N ATOM 19 C4 DG A 1 -2.117 5.135 2.374 1.00 0.00 C ATOM 0 H5' DG A 1 -2.223 7.544 0.146 1.00 0.00 H new ATOM 0 H5'' DG A 1 -3.841 8.219 0.137 1.00 0.00 H new ATOM 0 H4' DG A 1 -3.222 9.851 1.795 1.00 0.00 H new ATOM 0 H3' DG A 1 -0.601 9.743 1.213 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.460 7.294 1.577 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.314 8.001 2.982 1.00 0.00 H new ATOM 0 HO5' DG A 1 -2.524 9.070 -1.583 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.600 7.789 4.325 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.294 5.596 5.402 1.00 0.00 H new ATOM 0 H1 DG A 1 -2.917 2.458 0.070 1.00 0.00 H new ATOM 0 H21 DG A 1 -3.011 5.728 -1.256 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.226 4.003 -1.570 1.00 0.00 H new ATOM 32 P DG A 2 0.242 11.284 3.064 1.00 0.00 P ATOM 33 OP1 DG A 2 0.091 12.212 4.207 1.00 0.00 O ATOM 34 OP2 DG A 2 0.365 11.823 1.692 1.00 0.00 O ATOM 35 O5' DG A 2 1.507 10.317 3.337 1.00 0.00 O ATOM 36 C5' DG A 2 1.961 9.987 4.656 1.00 0.00 C ATOM 37 C4' DG A 2 3.022 8.884 4.645 1.00 0.00 C ATOM 38 O4' DG A 2 2.488 7.628 4.228 1.00 0.00 O ATOM 39 C3' DG A 2 4.268 9.194 3.813 1.00 0.00 C ATOM 40 O3' DG A 2 5.371 9.365 4.721 1.00 0.00 O ATOM 41 C2' DG A 2 4.304 7.984 2.870 1.00 0.00 C ATOM 42 C1' DG A 2 3.547 6.895 3.616 1.00 0.00 C ATOM 43 N9 DG A 2 2.881 5.934 2.732 1.00 0.00 N ATOM 44 C8 DG A 2 2.247 6.191 1.574 1.00 0.00 C ATOM 45 N7 DG A 2 1.721 5.172 0.961 1.00 0.00 N ATOM 46 C5 DG A 2 2.045 4.122 1.820 1.00 0.00 C ATOM 47 C6 DG A 2 1.753 2.736 1.720 1.00 0.00 C ATOM 48 O6 DG A 2 1.135 2.156 0.832 1.00 0.00 O ATOM 49 N1 DG A 2 2.261 2.023 2.796 1.00 0.00 N ATOM 50 C2 DG A 2 2.967 2.579 3.847 1.00 0.00 C ATOM 51 N2 DG A 2 3.380 1.761 4.811 1.00 0.00 N ATOM 52 N3 DG A 2 3.243 3.879 3.945 1.00 0.00 N ATOM 53 C4 DG A 2 2.754 4.584 2.904 1.00 0.00 C ATOM 0 H5' DG A 2 1.113 9.666 5.260 1.00 0.00 H new ATOM 0 H5'' DG A 2 2.371 10.878 5.130 1.00 0.00 H new ATOM 0 H4' DG A 2 3.340 8.830 5.686 1.00 0.00 H new ATOM 0 H3' DG A 2 4.294 10.111 3.224 1.00 0.00 H new ATOM 0 H2' DG A 2 3.832 8.212 1.914 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.328 7.679 2.655 1.00 0.00 H new ATOM 0 H1' DG A 2 4.226 6.338 4.261 1.00 0.00 H new ATOM 0 H8 DG A 2 2.178 7.192 1.174 1.00 0.00 H new ATOM 0 H1 DG A 2 2.102 1.016 2.813 1.00 0.00 H new ATOM 0 H21 DG A 2 3.904 2.131 5.604 1.00 0.00 H new ATOM 0 H22 DG A 2 3.173 0.764 4.757 1.00 0.00 H new ATOM 65 P DT A 3 6.759 8.542 4.742 1.00 0.00 P ATOM 66 OP1 DT A 3 6.449 7.095 4.705 1.00 0.00 O ATOM 67 OP2 DT A 3 7.599 9.085 5.834 1.00 0.00 O ATOM 68 O5' DT A 3 7.414 8.963 3.330 1.00 0.00 O ATOM 69 C5' DT A 3 7.742 10.323 3.004 1.00 0.00 C ATOM 70 C4' DT A 3 8.048 10.473 1.511 1.00 0.00 C ATOM 71 O4' DT A 3 9.141 9.588 1.202 1.00 0.00 O ATOM 72 C3' DT A 3 6.844 10.071 0.634 1.00 0.00 C ATOM 73 O3' DT A 3 6.388 11.009 -0.349 1.00 0.00 O ATOM 74 C2' DT A 3 7.349 8.859 -0.090 1.00 0.00 C ATOM 75 C1' DT A 3 8.849 8.869 -0.001 1.00 0.00 C ATOM 76 N1 DT A 3 9.331 7.463 0.093 1.00 0.00 N ATOM 77 C2 DT A 3 10.016 6.919 -0.988 1.00 0.00 C ATOM 78 O2 DT A 3 10.242 7.542 -2.024 1.00 0.00 O ATOM 79 N3 DT A 3 10.439 5.608 -0.839 1.00 0.00 N ATOM 80 C4 DT A 3 10.246 4.806 0.273 1.00 0.00 C ATOM 81 O4 DT A 3 10.670 3.652 0.284 1.00 0.00 O ATOM 82 C5 DT A 3 9.525 5.451 1.350 1.00 0.00 C ATOM 83 C7 DT A 3 9.257 4.678 2.650 1.00 0.00 C ATOM 84 C6 DT A 3 9.098 6.727 1.231 1.00 0.00 C ATOM 0 H5' DT A 3 8.604 10.643 3.589 1.00 0.00 H new ATOM 0 H5'' DT A 3 6.912 10.976 3.276 1.00 0.00 H new ATOM 0 H4' DT A 3 8.285 11.517 1.305 1.00 0.00 H new ATOM 0 H3' DT A 3 5.977 9.955 1.285 1.00 0.00 H new ATOM 0 H2' DT A 3 6.945 7.950 0.356 1.00 0.00 H new ATOM 0 H2'' DT A 3 7.027 8.873 -1.131 1.00 0.00 H new ATOM 0 H1' DT A 3 9.330 9.328 -0.865 1.00 0.00 H new ATOM 0 H3 DT A 3 10.941 5.194 -1.624 1.00 0.00 H new ATOM 0 H71 DT A 3 9.171 3.614 2.430 1.00 0.00 H new ATOM 0 H72 DT A 3 10.081 4.839 3.346 1.00 0.00 H new ATOM 0 H73 DT A 3 8.329 5.031 3.099 1.00 0.00 H new ATOM 0 H6 DT A 3 8.560 7.181 2.050 1.00 0.00 H new ATOM 97 P DT A 4 4.863 10.914 -0.905 1.00 0.00 P ATOM 98 OP1 DT A 4 4.742 11.856 -2.041 1.00 0.00 O ATOM 99 OP2 DT A 4 3.955 11.060 0.257 1.00 0.00 O ATOM 100 O5' DT A 4 4.687 9.395 -1.478 1.00 0.00 O ATOM 101 C5' DT A 4 4.953 9.007 -2.838 1.00 0.00 C ATOM 102 C4' DT A 4 4.349 7.631 -3.236 1.00 0.00 C ATOM 103 O4' DT A 4 4.938 6.441 -2.724 1.00 0.00 O ATOM 104 C3' DT A 4 2.835 7.499 -3.066 1.00 0.00 C ATOM 105 O3' DT A 4 2.052 7.339 -4.259 1.00 0.00 O ATOM 106 C2' DT A 4 2.751 6.210 -2.340 1.00 0.00 C ATOM 107 C1' DT A 4 3.924 5.404 -2.780 1.00 0.00 C ATOM 108 N1 DT A 4 4.208 4.390 -1.752 1.00 0.00 N ATOM 109 C2 DT A 4 3.808 3.071 -1.880 1.00 0.00 C ATOM 110 O2 DT A 4 3.189 2.637 -2.849 1.00 0.00 O ATOM 111 N3 DT A 4 4.156 2.245 -0.825 1.00 0.00 N ATOM 112 C4 DT A 4 4.846 2.620 0.312 1.00 0.00 C ATOM 113 O4 DT A 4 5.095 1.790 1.184 1.00 0.00 O ATOM 114 C5 DT A 4 5.220 4.021 0.351 1.00 0.00 C ATOM 115 C7 DT A 4 5.995 4.566 1.554 1.00 0.00 C ATOM 116 C6 DT A 4 4.884 4.828 -0.677 1.00 0.00 C ATOM 0 H5' DT A 4 6.032 8.976 -2.991 1.00 0.00 H new ATOM 0 H5'' DT A 4 4.558 9.772 -3.506 1.00 0.00 H new ATOM 0 H4' DT A 4 4.621 7.685 -4.290 1.00 0.00 H new ATOM 0 H3' DT A 4 2.442 8.406 -2.608 1.00 0.00 H new ATOM 0 H2' DT A 4 2.771 6.369 -1.262 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.818 5.695 -2.569 1.00 0.00 H new ATOM 0 H1' DT A 4 3.828 4.882 -3.732 1.00 0.00 H new ATOM 0 H3 DT A 4 3.876 1.266 -0.893 1.00 0.00 H new ATOM 0 H71 DT A 4 6.630 5.392 1.234 1.00 0.00 H new ATOM 0 H72 DT A 4 5.293 4.919 2.309 1.00 0.00 H new ATOM 0 H73 DT A 4 6.615 3.775 1.976 1.00 0.00 H new ATOM 0 H6 DT A 4 5.170 5.868 -0.634 1.00 0.00 H new ATOM 129 P DG A 5 1.420 8.509 -5.175 1.00 0.00 P ATOM 130 OP1 DG A 5 2.235 8.598 -6.407 1.00 0.00 O ATOM 131 OP2 DG A 5 1.246 9.708 -4.324 1.00 0.00 O ATOM 132 O5' DG A 5 -0.059 7.943 -5.580 1.00 0.00 O ATOM 133 C5' DG A 5 -0.254 6.537 -5.835 1.00 0.00 C ATOM 134 C4' DG A 5 -1.515 6.111 -6.646 1.00 0.00 C ATOM 135 O4' DG A 5 -1.556 4.670 -6.673 1.00 0.00 O ATOM 136 C3' DG A 5 -2.941 6.462 -6.195 1.00 0.00 C ATOM 137 O3' DG A 5 -3.736 6.542 -7.398 1.00 0.00 O ATOM 138 C2' DG A 5 -3.211 5.391 -5.184 1.00 0.00 C ATOM 139 C1' DG A 5 -2.639 4.174 -5.854 1.00 0.00 C ATOM 140 N9 DG A 5 -2.017 3.193 -4.953 1.00 0.00 N ATOM 141 C8 DG A 5 -1.961 1.872 -5.160 1.00 0.00 C ATOM 142 N7 DG A 5 -1.308 1.167 -4.286 1.00 0.00 N ATOM 143 C5 DG A 5 -0.881 2.145 -3.387 1.00 0.00 C ATOM 144 C6 DG A 5 -0.111 2.022 -2.200 1.00 0.00 C ATOM 145 O6 DG A 5 0.382 1.011 -1.710 1.00 0.00 O ATOM 146 N1 DG A 5 0.092 3.244 -1.588 1.00 0.00 N ATOM 147 C2 DG A 5 -0.382 4.450 -2.052 1.00 0.00 C ATOM 148 N2 DG A 5 -0.100 5.510 -1.296 1.00 0.00 N ATOM 149 N3 DG A 5 -1.104 4.577 -3.172 1.00 0.00 N ATOM 150 C4 DG A 5 -1.315 3.389 -3.784 1.00 0.00 C ATOM 0 H5' DG A 5 -0.286 6.024 -4.874 1.00 0.00 H new ATOM 0 H5'' DG A 5 0.624 6.168 -6.364 1.00 0.00 H new ATOM 0 H4' DG A 5 -1.346 6.682 -7.559 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.153 7.415 -5.711 1.00 0.00 H new ATOM 0 H2' DG A 5 -2.724 5.598 -4.231 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.276 5.282 -4.981 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.460 3.670 -6.364 1.00 0.00 H new ATOM 0 H8 DG A 5 -2.437 1.413 -6.014 1.00 0.00 H new ATOM 0 H1 DG A 5 0.636 3.253 -0.725 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.419 6.437 -1.578 1.00 0.00 H new ATOM 0 H22 DG A 5 0.435 5.395 -0.435 1.00 0.00 H new ATOM 162 P DG A 6 -5.337 6.757 -7.470 1.00 0.00 P ATOM 163 OP1 DG A 6 -5.743 6.971 -8.880 1.00 0.00 O ATOM 164 OP2 DG A 6 -5.759 7.722 -6.430 1.00 0.00 O ATOM 165 O5' DG A 6 -5.772 5.278 -7.031 1.00 0.00 O ATOM 166 C5' DG A 6 -5.637 4.162 -7.919 1.00 0.00 C ATOM 167 C4' DG A 6 -5.979 2.863 -7.197 1.00 0.00 C ATOM 168 O4' DG A 6 -5.033 2.292 -6.282 1.00 0.00 O ATOM 169 C3' DG A 6 -7.332 2.874 -6.546 1.00 0.00 C ATOM 170 O3' DG A 6 -8.083 1.820 -7.096 1.00 0.00 O ATOM 171 C2' DG A 6 -6.911 2.708 -5.123 1.00 0.00 C ATOM 172 C1' DG A 6 -5.774 1.739 -5.191 1.00 0.00 C ATOM 173 N9 DG A 6 -5.006 1.635 -3.940 1.00 0.00 N ATOM 174 C8 DG A 6 -4.658 2.668 -3.153 1.00 0.00 C ATOM 175 N7 DG A 6 -3.994 2.390 -2.085 1.00 0.00 N ATOM 176 C5 DG A 6 -3.880 1.016 -2.155 1.00 0.00 C ATOM 177 C6 DG A 6 -3.245 0.138 -1.253 1.00 0.00 C ATOM 178 O6 DG A 6 -2.671 0.420 -0.199 1.00 0.00 O ATOM 179 N1 DG A 6 -3.340 -1.174 -1.679 1.00 0.00 N ATOM 180 C2 DG A 6 -3.974 -1.599 -2.834 1.00 0.00 C ATOM 181 N2 DG A 6 -3.971 -2.907 -3.105 1.00 0.00 N ATOM 182 N3 DG A 6 -4.580 -0.760 -3.682 1.00 0.00 N ATOM 183 C4 DG A 6 -4.494 0.527 -3.286 1.00 0.00 C ATOM 0 H5' DG A 6 -4.617 4.115 -8.302 1.00 0.00 H new ATOM 0 H5'' DG A 6 -6.295 4.292 -8.779 1.00 0.00 H new ATOM 0 H4' DG A 6 -5.954 2.198 -8.060 1.00 0.00 H new ATOM 0 H3' DG A 6 -7.980 3.741 -6.674 1.00 0.00 H new ATOM 0 H2' DG A 6 -6.601 3.657 -4.686 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.725 2.325 -4.508 1.00 0.00 H new ATOM 0 H1' DG A 6 -6.075 0.701 -5.334 1.00 0.00 H new ATOM 0 H8 DG A 6 -4.923 3.684 -3.405 1.00 0.00 H new ATOM 0 H1 DG A 6 -2.907 -1.888 -1.094 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.429 -3.254 -3.948 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.511 -3.558 -2.469 1.00 0.00 H new ATOM 195 P DT A 7 -9.140 2.046 -8.292 1.00 0.00 P ATOM 196 OP1 DT A 7 -8.529 1.754 -9.607 1.00 0.00 O ATOM 197 OP2 DT A 7 -9.939 3.276 -8.076 1.00 0.00 O ATOM 198 O5' DT A 7 -9.935 0.772 -7.815 1.00 0.00 O ATOM 199 C5' DT A 7 -11.051 0.765 -6.948 1.00 0.00 C ATOM 200 C4' DT A 7 -11.007 -0.476 -6.081 1.00 0.00 C ATOM 201 O4' DT A 7 -10.948 -1.630 -6.914 1.00 0.00 O ATOM 202 C3' DT A 7 -9.919 -0.552 -4.994 1.00 0.00 C ATOM 203 O3' DT A 7 -10.332 -1.444 -3.946 1.00 0.00 O ATOM 204 C2' DT A 7 -8.898 -1.275 -5.835 1.00 0.00 C ATOM 205 C1' DT A 7 -9.717 -2.284 -6.664 1.00 0.00 C ATOM 206 N1 DT A 7 -9.120 -2.574 -7.977 1.00 0.00 N ATOM 207 C2 DT A 7 -8.689 -3.863 -8.247 1.00 0.00 C ATOM 208 O2 DT A 7 -8.760 -4.778 -7.427 1.00 0.00 O ATOM 209 N3 DT A 7 -8.168 -4.067 -9.508 1.00 0.00 N ATOM 210 C4 DT A 7 -8.043 -3.117 -10.504 1.00 0.00 C ATOM 211 O4 DT A 7 -7.559 -3.431 -11.590 1.00 0.00 O ATOM 212 C5 DT A 7 -8.517 -1.794 -10.141 1.00 0.00 C ATOM 213 C7 DT A 7 -8.436 -0.675 -11.191 1.00 0.00 C ATOM 214 C6 DT A 7 -9.034 -1.571 -8.899 1.00 0.00 C ATOM 0 H5' DT A 7 -11.975 0.785 -7.526 1.00 0.00 H new ATOM 0 H5'' DT A 7 -11.046 1.658 -6.324 1.00 0.00 H new ATOM 0 H4' DT A 7 -11.929 -0.425 -5.502 1.00 0.00 H new ATOM 0 H3' DT A 7 -9.636 0.386 -4.517 1.00 0.00 H new ATOM 0 H2' DT A 7 -8.354 -0.584 -6.478 1.00 0.00 H new ATOM 0 H2'' DT A 7 -8.159 -1.781 -5.213 1.00 0.00 H new ATOM 0 H1' DT A 7 -9.787 -3.226 -6.120 1.00 0.00 H new ATOM 0 H3 DT A 7 -7.844 -5.009 -9.726 1.00 0.00 H new ATOM 0 H71 DT A 7 -9.243 0.039 -11.025 1.00 0.00 H new ATOM 0 H72 DT A 7 -7.477 -0.165 -11.106 1.00 0.00 H new ATOM 0 H73 DT A 7 -8.531 -1.104 -12.188 1.00 0.00 H new ATOM 0 H6 DT A 7 -9.382 -0.582 -8.640 1.00 0.00 H new ATOM 227 P DG A 8 -10.821 -0.989 -2.482 1.00 0.00 P ATOM 228 OP1 DG A 8 -11.654 -2.078 -1.924 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.377 0.380 -2.577 1.00 0.00 O ATOM 230 O5' DG A 8 -9.447 -0.917 -1.636 1.00 0.00 O ATOM 231 C5' DG A 8 -8.758 -2.065 -1.105 1.00 0.00 C ATOM 232 C4' DG A 8 -7.610 -1.582 -0.145 1.00 0.00 C ATOM 233 O4' DG A 8 -6.521 -0.711 -0.565 1.00 0.00 O ATOM 234 C3' DG A 8 -8.049 -1.218 1.250 1.00 0.00 C ATOM 235 O3' DG A 8 -7.450 -2.101 2.209 1.00 0.00 O ATOM 236 C2' DG A 8 -7.549 0.181 1.191 1.00 0.00 C ATOM 237 C1' DG A 8 -6.239 0.297 0.447 1.00 0.00 C ATOM 238 N9 DG A 8 -6.426 1.585 -0.250 1.00 0.00 N ATOM 239 C8 DG A 8 -6.940 1.730 -1.489 1.00 0.00 C ATOM 240 N7 DG A 8 -7.079 2.934 -1.935 1.00 0.00 N ATOM 241 C5 DG A 8 -6.596 3.688 -0.866 1.00 0.00 C ATOM 242 C6 DG A 8 -6.485 5.095 -0.739 1.00 0.00 C ATOM 243 O6 DG A 8 -6.790 5.963 -1.554 1.00 0.00 O ATOM 244 N1 DG A 8 -5.955 5.453 0.487 1.00 0.00 N ATOM 245 C2 DG A 8 -5.575 4.574 1.477 1.00 0.00 C ATOM 246 N2 DG A 8 -5.084 5.124 2.586 1.00 0.00 N ATOM 247 N3 DG A 8 -5.676 3.246 1.366 1.00 0.00 N ATOM 248 C4 DG A 8 -6.193 2.875 0.173 1.00 0.00 C ATOM 0 H5' DG A 8 -8.342 -2.662 -1.917 1.00 0.00 H new ATOM 0 H5'' DG A 8 -9.456 -2.704 -0.564 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.112 -2.551 -0.194 1.00 0.00 H new ATOM 0 H3' DG A 8 -9.094 -1.302 1.547 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.295 0.810 0.706 1.00 0.00 H new ATOM 0 H2'' DG A 8 -7.422 0.561 2.205 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.294 0.215 0.984 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.224 0.874 -2.084 1.00 0.00 H new ATOM 0 H1 DG A 8 -5.836 6.449 0.673 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.783 4.531 3.359 1.00 0.00 H new ATOM 0 H22 DG A 8 -5.009 6.138 2.662 1.00 0.00 H new ATOM 260 P DT A 9 -8.122 -3.553 2.525 1.00 0.00 P ATOM 261 OP1 DT A 9 -8.998 -3.947 1.395 1.00 0.00 O ATOM 262 OP2 DT A 9 -8.674 -3.520 3.898 1.00 0.00 O ATOM 263 O5' DT A 9 -6.861 -4.548 2.533 1.00 0.00 O ATOM 264 C5' DT A 9 -6.176 -5.074 1.383 1.00 0.00 C ATOM 265 C4' DT A 9 -4.654 -5.430 1.899 1.00 0.00 C ATOM 266 O4' DT A 9 -4.024 -4.334 2.643 1.00 0.00 O ATOM 267 C3' DT A 9 -4.413 -6.608 2.926 1.00 0.00 C ATOM 268 O3' DT A 9 -3.071 -7.137 2.811 1.00 0.00 O ATOM 269 C2' DT A 9 -4.562 -5.893 4.270 1.00 0.00 C ATOM 270 C1' DT A 9 -3.710 -4.658 4.044 1.00 0.00 C ATOM 271 N1 DT A 9 -3.968 -3.505 4.944 1.00 0.00 N ATOM 272 C2 DT A 9 -3.279 -3.383 6.137 1.00 0.00 C ATOM 273 O2 DT A 9 -2.472 -4.223 6.527 1.00 0.00 O ATOM 274 N3 DT A 9 -3.556 -2.247 6.879 1.00 0.00 N ATOM 275 C4 DT A 9 -4.447 -1.239 6.536 1.00 0.00 C ATOM 276 O4 DT A 9 -4.608 -0.270 7.275 1.00 0.00 O ATOM 277 C5 DT A 9 -5.115 -1.467 5.269 1.00 0.00 C ATOM 278 C7 DT A 9 -6.112 -0.452 4.707 1.00 0.00 C ATOM 279 C6 DT A 9 -4.852 -2.570 4.550 1.00 0.00 C ATOM 0 H5' DT A 9 -6.155 -4.346 0.572 1.00 0.00 H new ATOM 0 H5'' DT A 9 -6.678 -5.963 1.000 1.00 0.00 H new ATOM 0 H4' DT A 9 -4.255 -5.684 0.917 1.00 0.00 H new ATOM 0 H3' DT A 9 -5.088 -7.451 2.777 1.00 0.00 H new ATOM 0 H2' DT A 9 -5.600 -5.642 4.490 1.00 0.00 H new ATOM 0 H2'' DT A 9 -4.198 -6.498 5.100 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.661 -4.860 4.262 1.00 0.00 H new ATOM 0 H3 DT A 9 -3.057 -2.141 7.762 1.00 0.00 H new ATOM 0 H71 DT A 9 -6.095 -0.490 3.618 1.00 0.00 H new ATOM 0 H72 DT A 9 -7.114 -0.691 5.063 1.00 0.00 H new ATOM 0 H73 DT A 9 -5.838 0.549 5.039 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.373 -2.713 3.615 1.00 0.00 H new ATOM 292 P DG A 10 -2.702 -8.591 2.182 1.00 0.00 P ATOM 293 OP1 DG A 10 -3.926 -9.427 2.225 1.00 0.00 O ATOM 294 OP2 DG A 10 -1.472 -9.089 2.834 1.00 0.00 O ATOM 295 O5' DG A 10 -2.339 -8.285 0.632 1.00 0.00 O ATOM 296 C5' DG A 10 -3.067 -8.940 -0.408 1.00 0.00 C ATOM 297 C4' DG A 10 -2.527 -8.741 -1.824 1.00 0.00 C ATOM 298 O4' DG A 10 -2.651 -7.393 -2.268 1.00 0.00 O ATOM 299 C3' DG A 10 -1.077 -9.158 -2.086 1.00 0.00 C ATOM 300 O3' DG A 10 -1.032 -9.913 -3.305 1.00 0.00 O ATOM 301 C2' DG A 10 -0.353 -7.826 -2.139 1.00 0.00 C ATOM 302 C1' DG A 10 -1.409 -7.029 -2.869 1.00 0.00 C ATOM 303 N9 DG A 10 -1.288 -5.588 -2.800 1.00 0.00 N ATOM 304 C8 DG A 10 -1.522 -4.719 -3.795 1.00 0.00 C ATOM 305 N7 DG A 10 -1.388 -3.465 -3.500 1.00 0.00 N ATOM 306 C5 DG A 10 -1.020 -3.521 -2.157 1.00 0.00 C ATOM 307 C6 DG A 10 -0.729 -2.481 -1.256 1.00 0.00 C ATOM 308 O6 DG A 10 -0.768 -1.278 -1.456 1.00 0.00 O ATOM 309 N1 DG A 10 -0.401 -2.930 -0.007 1.00 0.00 N ATOM 310 C2 DG A 10 -0.361 -4.267 0.357 1.00 0.00 C ATOM 311 N2 DG A 10 -0.053 -4.588 1.609 1.00 0.00 N ATOM 312 N3 DG A 10 -0.637 -5.261 -0.490 1.00 0.00 N ATOM 313 C4 DG A 10 -0.956 -4.817 -1.723 1.00 0.00 C ATOM 0 H5' DG A 10 -4.099 -8.589 -0.380 1.00 0.00 H new ATOM 0 H5'' DG A 10 -3.088 -10.009 -0.194 1.00 0.00 H new ATOM 0 H4' DG A 10 -3.165 -9.426 -2.383 1.00 0.00 H new ATOM 0 H3' DG A 10 -0.620 -9.809 -1.341 1.00 0.00 H new ATOM 0 H2' DG A 10 -0.129 -7.426 -1.150 1.00 0.00 H new ATOM 0 H2'' DG A 10 0.590 -7.878 -2.683 1.00 0.00 H new ATOM 0 H1' DG A 10 -1.311 -7.266 -3.928 1.00 0.00 H new ATOM 0 H8 DG A 10 -1.806 -5.046 -4.784 1.00 0.00 H new ATOM 0 H1 DG A 10 -0.171 -2.236 0.704 1.00 0.00 H new ATOM 0 H21 DG A 10 -0.020 -5.568 1.891 1.00 0.00 H new ATOM 0 H22 DG A 10 0.150 -3.855 2.288 1.00 0.00 H new ATOM 325 P DG A 11 0.301 -10.599 -3.903 1.00 0.00 P ATOM 326 OP1 DG A 11 -0.117 -11.636 -4.875 1.00 0.00 O ATOM 327 OP2 DG A 11 1.195 -10.961 -2.781 1.00 0.00 O ATOM 328 O5' DG A 11 0.967 -9.376 -4.713 1.00 0.00 O ATOM 329 C5' DG A 11 0.351 -8.919 -5.922 1.00 0.00 C ATOM 330 C4' DG A 11 0.875 -7.561 -6.373 1.00 0.00 C ATOM 331 O4' DG A 11 0.579 -6.528 -5.436 1.00 0.00 O ATOM 332 C3' DG A 11 2.361 -7.497 -6.699 1.00 0.00 C ATOM 333 O3' DG A 11 2.462 -7.403 -8.115 1.00 0.00 O ATOM 334 C2' DG A 11 2.803 -6.248 -5.965 1.00 0.00 C ATOM 335 C1' DG A 11 1.534 -5.502 -5.699 1.00 0.00 C ATOM 336 N9 DG A 11 1.721 -4.720 -4.497 1.00 0.00 N ATOM 337 C8 DG A 11 2.192 -5.137 -3.305 1.00 0.00 C ATOM 338 N7 DG A 11 2.306 -4.219 -2.393 1.00 0.00 N ATOM 339 C5 DG A 11 1.855 -3.082 -3.070 1.00 0.00 C ATOM 340 C6 DG A 11 1.729 -1.745 -2.628 1.00 0.00 C ATOM 341 O6 DG A 11 2.016 -1.278 -1.532 1.00 0.00 O ATOM 342 N1 DG A 11 1.228 -0.917 -3.620 1.00 0.00 N ATOM 343 C2 DG A 11 0.888 -1.323 -4.896 1.00 0.00 C ATOM 344 N2 DG A 11 0.414 -0.393 -5.722 1.00 0.00 N ATOM 345 N3 DG A 11 1.010 -2.578 -5.317 1.00 0.00 N ATOM 346 C4 DG A 11 1.494 -3.392 -4.355 1.00 0.00 C ATOM 0 H5' DG A 11 -0.727 -8.857 -5.774 1.00 0.00 H new ATOM 0 H5'' DG A 11 0.523 -9.651 -6.711 1.00 0.00 H new ATOM 0 H4' DG A 11 0.338 -7.403 -7.308 1.00 0.00 H new ATOM 0 H3' DG A 11 2.975 -8.347 -6.402 1.00 0.00 H new ATOM 0 H2' DG A 11 3.320 -6.494 -5.038 1.00 0.00 H new ATOM 0 H2'' DG A 11 3.493 -5.657 -6.567 1.00 0.00 H new ATOM 0 H1' DG A 11 1.234 -4.843 -6.514 1.00 0.00 H new ATOM 0 H8 DG A 11 2.457 -6.167 -3.120 1.00 0.00 H new ATOM 0 H1 DG A 11 1.100 0.069 -3.390 1.00 0.00 H new ATOM 0 H21 DG A 11 0.149 -0.644 -6.674 1.00 0.00 H new ATOM 0 H22 DG A 11 0.316 0.571 -5.402 1.00 0.00 H new ATOM 358 P DT A 12 3.060 -8.615 -8.978 1.00 0.00 P ATOM 359 OP1 DT A 12 2.591 -8.477 -10.375 1.00 0.00 O ATOM 360 OP2 DT A 12 2.850 -9.884 -8.240 1.00 0.00 O ATOM 361 O5' DT A 12 4.606 -8.191 -8.888 1.00 0.00 O ATOM 362 C5' DT A 12 5.628 -8.959 -8.249 1.00 0.00 C ATOM 363 C4' DT A 12 6.706 -8.049 -7.652 1.00 0.00 C ATOM 364 O4' DT A 12 7.115 -7.075 -8.637 1.00 0.00 O ATOM 365 C3' DT A 12 6.251 -7.235 -6.428 1.00 0.00 C ATOM 366 O3' DT A 12 6.390 -7.992 -5.215 1.00 0.00 O ATOM 367 C2' DT A 12 7.329 -6.177 -6.476 1.00 0.00 C ATOM 368 C1' DT A 12 7.473 -5.853 -7.963 1.00 0.00 C ATOM 369 N1 DT A 12 6.773 -4.618 -8.426 1.00 0.00 N ATOM 370 C2 DT A 12 7.429 -3.409 -8.189 1.00 0.00 C ATOM 371 O2 DT A 12 8.520 -3.333 -7.625 1.00 0.00 O ATOM 372 N3 DT A 12 6.789 -2.266 -8.625 1.00 0.00 N ATOM 373 C4 DT A 12 5.568 -2.208 -9.267 1.00 0.00 C ATOM 374 O4 DT A 12 5.101 -1.122 -9.603 1.00 0.00 O ATOM 375 C5 DT A 12 4.946 -3.502 -9.477 1.00 0.00 C ATOM 376 C7 DT A 12 3.586 -3.550 -10.184 1.00 0.00 C ATOM 377 C6 DT A 12 5.547 -4.648 -9.063 1.00 0.00 C ATOM 0 H5' DT A 12 6.080 -9.640 -8.970 1.00 0.00 H new ATOM 0 H5'' DT A 12 5.189 -9.573 -7.463 1.00 0.00 H new ATOM 0 H4' DT A 12 7.503 -8.727 -7.345 1.00 0.00 H new ATOM 0 H3' DT A 12 5.214 -6.901 -6.444 1.00 0.00 H new ATOM 0 H2' DT A 12 7.046 -5.295 -5.902 1.00 0.00 H new ATOM 0 H2'' DT A 12 8.266 -6.544 -6.056 1.00 0.00 H new ATOM 0 H1' DT A 12 8.494 -5.560 -8.208 1.00 0.00 H new ATOM 0 H3 DT A 12 7.264 -1.379 -8.457 1.00 0.00 H new ATOM 0 H71 DT A 12 3.493 -4.488 -10.731 1.00 0.00 H new ATOM 0 H72 DT A 12 2.789 -3.480 -9.444 1.00 0.00 H new ATOM 0 H73 DT A 12 3.508 -2.715 -10.881 1.00 0.00 H new ATOM 0 H6 DT A 12 5.059 -5.596 -9.234 1.00 0.00 H new ATOM 390 P DT A 13 5.669 -7.667 -3.799 1.00 0.00 P ATOM 391 OP1 DT A 13 6.199 -8.635 -2.814 1.00 0.00 O ATOM 392 OP2 DT A 13 4.209 -7.602 -4.020 1.00 0.00 O ATOM 393 O5' DT A 13 6.172 -6.188 -3.356 1.00 0.00 O ATOM 394 C5' DT A 13 7.397 -5.974 -2.634 1.00 0.00 C ATOM 395 C4' DT A 13 7.347 -4.745 -1.704 1.00 0.00 C ATOM 396 O4' DT A 13 7.163 -3.505 -2.426 1.00 0.00 O ATOM 397 C3' DT A 13 6.223 -4.818 -0.647 1.00 0.00 C ATOM 398 O3' DT A 13 6.563 -4.216 0.617 1.00 0.00 O ATOM 399 C2' DT A 13 5.192 -3.931 -1.297 1.00 0.00 C ATOM 400 C1' DT A 13 6.016 -2.815 -1.897 1.00 0.00 C ATOM 401 N1 DT A 13 5.276 -2.001 -2.895 1.00 0.00 N ATOM 402 C2 DT A 13 4.844 -0.730 -2.528 1.00 0.00 C ATOM 403 O2 DT A 13 5.021 -0.248 -1.409 1.00 0.00 O ATOM 404 N3 DT A 13 4.177 -0.014 -3.505 1.00 0.00 N ATOM 405 C4 DT A 13 3.903 -0.440 -4.788 1.00 0.00 C ATOM 406 O4 DT A 13 3.305 0.297 -5.571 1.00 0.00 O ATOM 407 C5 DT A 13 4.384 -1.770 -5.076 1.00 0.00 C ATOM 408 C7 DT A 13 4.136 -2.379 -6.446 1.00 0.00 C ATOM 409 C6 DT A 13 5.038 -2.492 -4.149 1.00 0.00 C ATOM 0 H5' DT A 13 8.214 -5.850 -3.345 1.00 0.00 H new ATOM 0 H5'' DT A 13 7.622 -6.861 -2.042 1.00 0.00 H new ATOM 0 H4' DT A 13 8.319 -4.760 -1.210 1.00 0.00 H new ATOM 0 H3' DT A 13 5.950 -5.847 -0.414 1.00 0.00 H new ATOM 0 H2' DT A 13 4.625 -4.466 -2.059 1.00 0.00 H new ATOM 0 H2'' DT A 13 4.472 -3.553 -0.571 1.00 0.00 H new ATOM 0 H1' DT A 13 6.296 -2.055 -1.168 1.00 0.00 H new ATOM 0 H3 DT A 13 3.856 0.921 -3.252 1.00 0.00 H new ATOM 0 H71 DT A 13 4.944 -3.068 -6.689 1.00 0.00 H new ATOM 0 H72 DT A 13 3.189 -2.918 -6.438 1.00 0.00 H new ATOM 0 H73 DT A 13 4.097 -1.587 -7.194 1.00 0.00 H new ATOM 0 H6 DT A 13 5.384 -3.484 -4.401 1.00 0.00 H new ATOM 422 P DG A 14 7.559 -4.836 1.730 1.00 0.00 P ATOM 423 OP1 DG A 14 8.483 -3.753 2.140 1.00 0.00 O ATOM 424 OP2 DG A 14 8.110 -6.107 1.211 1.00 0.00 O ATOM 425 O5' DG A 14 6.614 -5.181 3.003 1.00 0.00 O ATOM 426 C5' DG A 14 7.224 -5.548 4.257 1.00 0.00 C ATOM 427 C4' DG A 14 6.274 -5.507 5.472 1.00 0.00 C ATOM 428 O4' DG A 14 5.693 -4.195 5.632 1.00 0.00 O ATOM 429 C3' DG A 14 5.100 -6.494 5.433 1.00 0.00 C ATOM 430 O3' DG A 14 4.767 -6.906 6.772 1.00 0.00 O ATOM 431 C2' DG A 14 4.058 -5.623 4.789 1.00 0.00 C ATOM 432 C1' DG A 14 4.265 -4.278 5.461 1.00 0.00 C ATOM 433 N9 DG A 14 3.792 -3.132 4.660 1.00 0.00 N ATOM 434 C8 DG A 14 3.675 -1.835 5.046 1.00 0.00 C ATOM 435 N7 DG A 14 3.244 -1.009 4.147 1.00 0.00 N ATOM 436 C5 DG A 14 3.052 -1.831 3.045 1.00 0.00 C ATOM 437 C6 DG A 14 2.589 -1.506 1.749 1.00 0.00 C ATOM 438 O6 DG A 14 2.260 -0.402 1.324 1.00 0.00 O ATOM 439 N1 DG A 14 2.538 -2.624 0.930 1.00 0.00 N ATOM 440 C2 DG A 14 2.887 -3.904 1.310 1.00 0.00 C ATOM 441 N2 DG A 14 2.766 -4.870 0.398 1.00 0.00 N ATOM 442 N3 DG A 14 3.323 -4.207 2.530 1.00 0.00 N ATOM 443 C4 DG A 14 3.381 -3.129 3.344 1.00 0.00 C ATOM 0 H5' DG A 14 8.064 -4.879 4.447 1.00 0.00 H new ATOM 0 H5'' DG A 14 7.632 -6.554 4.166 1.00 0.00 H new ATOM 0 H4' DG A 14 6.925 -5.789 6.300 1.00 0.00 H new ATOM 0 H3' DG A 14 5.260 -7.434 4.904 1.00 0.00 H new ATOM 0 H2' DG A 14 4.198 -5.559 3.710 1.00 0.00 H new ATOM 0 H2'' DG A 14 3.052 -6.007 4.958 1.00 0.00 H new ATOM 0 H1' DG A 14 3.694 -4.222 6.388 1.00 0.00 H new ATOM 0 H8 DG A 14 3.927 -1.511 6.045 1.00 0.00 H new ATOM 0 H1 DG A 14 2.217 -2.490 -0.029 1.00 0.00 H new ATOM 0 H21 DG A 14 3.013 -5.830 0.637 1.00 0.00 H new ATOM 0 H22 DG A 14 2.427 -4.648 -0.538 1.00 0.00 H new ATOM 455 P DG A 15 3.313 -7.438 7.253 1.00 0.00 P ATOM 456 OP1 DG A 15 3.505 -8.232 8.486 1.00 0.00 O ATOM 457 OP2 DG A 15 2.623 -8.043 6.092 1.00 0.00 O ATOM 458 O5' DG A 15 2.537 -6.072 7.643 1.00 0.00 O ATOM 459 C5' DG A 15 2.941 -5.333 8.804 1.00 0.00 C ATOM 460 C4' DG A 15 1.978 -4.204 9.209 1.00 0.00 C ATOM 461 O4' DG A 15 1.870 -3.206 8.168 1.00 0.00 O ATOM 462 C3' DG A 15 0.546 -4.670 9.514 1.00 0.00 C ATOM 463 O3' DG A 15 -0.074 -3.748 10.419 1.00 0.00 O ATOM 464 C2' DG A 15 -0.075 -4.480 8.155 1.00 0.00 C ATOM 465 C1' DG A 15 0.505 -3.144 7.714 1.00 0.00 C ATOM 466 N9 DG A 15 0.396 -2.895 6.265 1.00 0.00 N ATOM 467 C8 DG A 15 0.686 -3.717 5.221 1.00 0.00 C ATOM 468 N7 DG A 15 0.496 -3.222 4.039 1.00 0.00 N ATOM 469 C5 DG A 15 0.031 -1.944 4.312 1.00 0.00 C ATOM 470 C6 DG A 15 -0.352 -0.917 3.415 1.00 0.00 C ATOM 471 O6 DG A 15 -0.357 -0.956 2.186 1.00 0.00 O ATOM 472 N1 DG A 15 -0.760 0.219 4.094 1.00 0.00 N ATOM 473 C2 DG A 15 -0.800 0.360 5.465 1.00 0.00 C ATOM 474 N2 DG A 15 -1.228 1.537 5.929 1.00 0.00 N ATOM 475 N3 DG A 15 -0.439 -0.609 6.313 1.00 0.00 N ATOM 476 C4 DG A 15 -0.036 -1.729 5.667 1.00 0.00 C ATOM 0 H5' DG A 15 3.927 -4.905 8.622 1.00 0.00 H new ATOM 0 H5'' DG A 15 3.044 -6.024 9.641 1.00 0.00 H new ATOM 0 H4' DG A 15 2.420 -3.801 10.120 1.00 0.00 H new ATOM 0 H3' DG A 15 0.465 -5.666 9.950 1.00 0.00 H new ATOM 0 H2' DG A 15 0.192 -5.285 7.470 1.00 0.00 H new ATOM 0 H2'' DG A 15 -1.163 -4.453 8.206 1.00 0.00 H new ATOM 0 HO3' DG A 15 -0.988 -4.044 10.612 1.00 0.00 H new ATOM 0 H1' DG A 15 -0.046 -2.304 8.136 1.00 0.00 H new ATOM 0 H8 DG A 15 1.053 -4.722 5.369 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.056 1.018 3.533 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.279 1.701 6.934 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.503 2.272 5.278 1.00 0.00 H new TER 489 DG A 15