USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=4 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 Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -7! (180deg=-10.5!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.325 (180deg=-1.92!) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -4.409 8.884 0.499 1.00 0.00 O ATOM 2 C5' DG A 1 -2.993 9.031 0.611 1.00 0.00 C ATOM 3 C4' DG A 1 -2.561 9.337 2.053 1.00 0.00 C ATOM 4 O4' DG A 1 -2.955 8.281 2.950 1.00 0.00 O ATOM 5 C3' DG A 1 -1.062 9.490 2.218 1.00 0.00 C ATOM 6 O3' DG A 1 -0.675 10.390 3.267 1.00 0.00 O ATOM 7 C2' DG A 1 -0.668 8.081 2.484 1.00 0.00 C ATOM 8 C1' DG A 1 -1.752 7.634 3.406 1.00 0.00 C ATOM 9 N9 DG A 1 -1.813 6.166 3.436 1.00 0.00 N ATOM 10 C8 DG A 1 -1.342 5.343 4.395 1.00 0.00 C ATOM 11 N7 DG A 1 -1.494 4.065 4.196 1.00 0.00 N ATOM 12 C5 DG A 1 -2.139 4.045 2.957 1.00 0.00 C ATOM 13 C6 DG A 1 -2.582 2.942 2.183 1.00 0.00 C ATOM 14 O6 DG A 1 -2.486 1.749 2.447 1.00 0.00 O ATOM 15 N1 DG A 1 -3.181 3.346 1.001 1.00 0.00 N ATOM 16 C2 DG A 1 -3.340 4.660 0.608 1.00 0.00 C ATOM 17 N2 DG A 1 -3.935 4.887 -0.560 1.00 0.00 N ATOM 18 N3 DG A 1 -2.927 5.701 1.334 1.00 0.00 N ATOM 19 C4 DG A 1 -2.339 5.321 2.490 1.00 0.00 C ATOM 0 H5' DG A 1 -2.658 9.834 -0.046 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.505 8.117 0.272 1.00 0.00 H new ATOM 0 H4' DG A 1 -3.054 10.280 2.288 1.00 0.00 H new ATOM 0 H3' DG A 1 -0.573 9.944 1.356 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.635 7.486 1.571 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.317 8.011 2.946 1.00 0.00 H new ATOM 0 HO5' DG A 1 -4.645 8.692 -0.432 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.581 7.918 4.444 1.00 0.00 H new ATOM 0 H8 DG A 1 -0.862 5.725 5.284 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.530 2.620 0.375 1.00 0.00 H new ATOM 0 H21 DG A 1 -4.071 5.844 -0.886 1.00 0.00 H new ATOM 0 H22 DG A 1 -4.255 4.104 -1.130 1.00 0.00 H new ATOM 32 P DG A 2 0.613 11.353 3.097 1.00 0.00 P ATOM 33 OP1 DG A 2 0.713 12.204 4.305 1.00 0.00 O ATOM 34 OP2 DG A 2 0.545 11.986 1.760 1.00 0.00 O ATOM 35 O5' DG A 2 1.854 10.318 3.091 1.00 0.00 O ATOM 36 C5' DG A 2 2.506 9.878 4.289 1.00 0.00 C ATOM 37 C4' DG A 2 3.390 8.654 4.038 1.00 0.00 C ATOM 38 O4' DG A 2 2.641 7.497 3.670 1.00 0.00 O ATOM 39 C3' DG A 2 4.497 8.868 3.012 1.00 0.00 C ATOM 40 O3' DG A 2 5.744 8.771 3.713 1.00 0.00 O ATOM 41 C2' DG A 2 4.262 7.684 2.090 1.00 0.00 C ATOM 42 C1' DG A 2 3.549 6.673 2.943 1.00 0.00 C ATOM 43 N9 DG A 2 2.770 5.718 2.166 1.00 0.00 N ATOM 44 C8 DG A 2 1.963 5.979 1.120 1.00 0.00 C ATOM 45 N7 DG A 2 1.367 4.955 0.597 1.00 0.00 N ATOM 46 C5 DG A 2 1.830 3.904 1.382 1.00 0.00 C ATOM 47 C6 DG A 2 1.537 2.524 1.303 1.00 0.00 C ATOM 48 O6 DG A 2 0.795 1.956 0.506 1.00 0.00 O ATOM 49 N1 DG A 2 2.212 1.806 2.278 1.00 0.00 N ATOM 50 C2 DG A 2 3.065 2.345 3.218 1.00 0.00 C ATOM 51 N2 DG A 2 3.630 1.500 4.082 1.00 0.00 N ATOM 52 N3 DG A 2 3.342 3.648 3.292 1.00 0.00 N ATOM 53 C4 DG A 2 2.691 4.362 2.346 1.00 0.00 C ATOM 0 H5' DG A 2 1.757 9.637 5.043 1.00 0.00 H new ATOM 0 H5'' DG A 2 3.113 10.689 4.691 1.00 0.00 H new ATOM 0 H4' DG A 2 3.865 8.491 5.006 1.00 0.00 H new ATOM 0 H3' DG A 2 4.508 9.818 2.478 1.00 0.00 H new ATOM 0 H2' DG A 2 3.661 7.968 1.226 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.202 7.287 1.708 1.00 0.00 H new ATOM 0 H1' DG A 2 4.246 6.078 3.534 1.00 0.00 H new ATOM 0 H8 DG A 2 1.822 6.980 0.741 1.00 0.00 H new ATOM 0 H1 DG A 2 2.066 0.797 2.302 1.00 0.00 H new ATOM 0 H21 DG A 2 4.268 1.851 4.796 1.00 0.00 H new ATOM 0 H22 DG A 2 3.424 0.503 4.029 1.00 0.00 H new ATOM 65 P DT A 3 7.086 9.537 3.261 1.00 0.00 P ATOM 66 OP1 DT A 3 8.102 9.338 4.317 1.00 0.00 O ATOM 67 OP2 DT A 3 6.722 10.907 2.836 1.00 0.00 O ATOM 68 O5' DT A 3 7.541 8.699 1.968 1.00 0.00 O ATOM 69 C5' DT A 3 8.366 9.284 0.957 1.00 0.00 C ATOM 70 C4' DT A 3 8.679 8.285 -0.149 1.00 0.00 C ATOM 71 O4' DT A 3 9.448 7.168 0.330 1.00 0.00 O ATOM 72 C3' DT A 3 7.409 7.699 -0.773 1.00 0.00 C ATOM 73 O3' DT A 3 6.870 8.620 -1.728 1.00 0.00 O ATOM 74 C2' DT A 3 8.017 6.475 -1.411 1.00 0.00 C ATOM 75 C1' DT A 3 9.038 5.990 -0.393 1.00 0.00 C ATOM 76 N1 DT A 3 8.584 4.876 0.484 1.00 0.00 N ATOM 77 C2 DT A 3 8.659 3.581 -0.025 1.00 0.00 C ATOM 78 O2 DT A 3 9.069 3.325 -1.156 1.00 0.00 O ATOM 79 N3 DT A 3 8.235 2.571 0.821 1.00 0.00 N ATOM 80 C4 DT A 3 7.752 2.728 2.107 1.00 0.00 C ATOM 81 O4 DT A 3 7.402 1.748 2.761 1.00 0.00 O ATOM 82 C5 DT A 3 7.708 4.105 2.557 1.00 0.00 C ATOM 83 C7 DT A 3 7.197 4.423 3.965 1.00 0.00 C ATOM 84 C6 DT A 3 8.113 5.113 1.754 1.00 0.00 C ATOM 0 H5' DT A 3 9.295 9.639 1.403 1.00 0.00 H new ATOM 0 H5'' DT A 3 7.864 10.154 0.533 1.00 0.00 H new ATOM 0 H4' DT A 3 9.245 8.854 -0.886 1.00 0.00 H new ATOM 0 H3' DT A 3 6.573 7.490 -0.106 1.00 0.00 H new ATOM 0 H2' DT A 3 7.263 5.714 -1.611 1.00 0.00 H new ATOM 0 H2'' DT A 3 8.488 6.715 -2.364 1.00 0.00 H new ATOM 0 H1' DT A 3 9.878 5.519 -0.904 1.00 0.00 H new ATOM 0 H3 DT A 3 8.284 1.618 0.461 1.00 0.00 H new ATOM 0 H71 DT A 3 7.691 5.321 4.337 1.00 0.00 H new ATOM 0 H72 DT A 3 6.120 4.588 3.933 1.00 0.00 H new ATOM 0 H73 DT A 3 7.416 3.587 4.629 1.00 0.00 H new ATOM 0 H6 DT A 3 8.066 6.129 2.118 1.00 0.00 H new ATOM 97 P DT A 4 5.644 9.619 -1.396 1.00 0.00 P ATOM 98 OP1 DT A 4 5.871 10.887 -2.124 1.00 0.00 O ATOM 99 OP2 DT A 4 5.409 9.641 0.064 1.00 0.00 O ATOM 100 O5' DT A 4 4.422 8.834 -2.095 1.00 0.00 O ATOM 101 C5' DT A 4 4.362 8.756 -3.523 1.00 0.00 C ATOM 102 C4' DT A 4 3.544 7.561 -4.011 1.00 0.00 C ATOM 103 O4' DT A 4 4.095 6.293 -3.741 1.00 0.00 O ATOM 104 C3' DT A 4 2.059 7.546 -3.670 1.00 0.00 C ATOM 105 O3' DT A 4 1.214 7.542 -4.830 1.00 0.00 O ATOM 106 C2' DT A 4 1.934 6.220 -3.008 1.00 0.00 C ATOM 107 C1' DT A 4 2.997 5.374 -3.675 1.00 0.00 C ATOM 108 N1 DT A 4 3.460 4.283 -2.823 1.00 0.00 N ATOM 109 C2 DT A 4 3.196 2.955 -3.114 1.00 0.00 C ATOM 110 O2 DT A 4 2.568 2.593 -4.107 1.00 0.00 O ATOM 111 N3 DT A 4 3.694 2.047 -2.196 1.00 0.00 N ATOM 112 C4 DT A 4 4.409 2.354 -1.048 1.00 0.00 C ATOM 113 O4 DT A 4 4.797 1.441 -0.321 1.00 0.00 O ATOM 114 C5 DT A 4 4.622 3.781 -0.847 1.00 0.00 C ATOM 115 C7 DT A 4 5.364 4.295 0.371 1.00 0.00 C ATOM 116 C6 DT A 4 4.151 4.670 -1.735 1.00 0.00 C ATOM 0 H5' DT A 4 5.374 8.687 -3.922 1.00 0.00 H new ATOM 0 H5'' DT A 4 3.926 9.675 -3.916 1.00 0.00 H new ATOM 0 H4' DT A 4 3.614 7.748 -5.083 1.00 0.00 H new ATOM 0 H3' DT A 4 1.761 8.420 -3.090 1.00 0.00 H new ATOM 0 H2' DT A 4 2.099 6.294 -1.933 1.00 0.00 H new ATOM 0 H2'' DT A 4 0.940 5.796 -3.149 1.00 0.00 H new ATOM 0 H1' DT A 4 2.634 4.942 -4.608 1.00 0.00 H new ATOM 0 H3 DT A 4 3.519 1.059 -2.381 1.00 0.00 H new ATOM 0 H71 DT A 4 5.208 3.613 1.207 1.00 0.00 H new ATOM 0 H72 DT A 4 6.429 4.359 0.148 1.00 0.00 H new ATOM 0 H73 DT A 4 4.989 5.284 0.635 1.00 0.00 H new ATOM 0 H6 DT A 4 4.331 5.722 -1.572 1.00 0.00 H new ATOM 129 P DG A 5 0.997 8.801 -5.812 1.00 0.00 P ATOM 130 OP1 DG A 5 2.096 8.803 -6.802 1.00 0.00 O ATOM 131 OP2 DG A 5 0.728 10.006 -4.997 1.00 0.00 O ATOM 132 O5' DG A 5 -0.352 8.376 -6.581 1.00 0.00 O ATOM 133 C5' DG A 5 -1.645 8.361 -5.967 1.00 0.00 C ATOM 134 C4' DG A 5 -2.479 7.258 -6.609 1.00 0.00 C ATOM 135 O4' DG A 5 -1.850 5.993 -6.363 1.00 0.00 O ATOM 136 C3' DG A 5 -3.918 7.095 -6.118 1.00 0.00 C ATOM 137 O3' DG A 5 -4.821 6.915 -7.234 1.00 0.00 O ATOM 138 C2' DG A 5 -3.780 5.981 -5.122 1.00 0.00 C ATOM 139 C1' DG A 5 -2.815 5.079 -5.832 1.00 0.00 C ATOM 140 N9 DG A 5 -2.040 4.045 -5.132 1.00 0.00 N ATOM 141 C8 DG A 5 -1.660 2.872 -5.665 1.00 0.00 C ATOM 142 N7 DG A 5 -0.913 2.091 -4.928 1.00 0.00 N ATOM 143 C5 DG A 5 -0.796 2.857 -3.761 1.00 0.00 C ATOM 144 C6 DG A 5 -0.102 2.573 -2.555 1.00 0.00 C ATOM 145 O6 DG A 5 0.559 1.579 -2.278 1.00 0.00 O ATOM 146 N1 DG A 5 -0.229 3.595 -1.632 1.00 0.00 N ATOM 147 C2 DG A 5 -0.942 4.760 -1.834 1.00 0.00 C ATOM 148 N2 DG A 5 -0.954 5.626 -0.824 1.00 0.00 N ATOM 149 N3 DG A 5 -1.599 5.036 -2.963 1.00 0.00 N ATOM 150 C4 DG A 5 -1.483 4.047 -3.878 1.00 0.00 C ATOM 0 H5' DG A 5 -2.134 9.327 -6.093 1.00 0.00 H new ATOM 0 H5'' DG A 5 -1.552 8.189 -4.895 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.530 7.562 -7.655 1.00 0.00 H new ATOM 0 H3' DG A 5 -4.380 7.955 -5.633 1.00 0.00 H new ATOM 0 H2' DG A 5 -3.391 6.329 -4.165 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.731 5.489 -4.919 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.444 4.474 -6.485 1.00 0.00 H new ATOM 0 H8 DG A 5 -1.959 2.585 -6.662 1.00 0.00 H new ATOM 0 H1 DG A 5 0.240 3.479 -0.734 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.463 6.505 -0.912 1.00 0.00 H new ATOM 0 H22 DG A 5 -0.454 5.411 0.038 1.00 0.00 H new ATOM 162 P DG A 6 -6.404 6.593 -7.090 1.00 0.00 P ATOM 163 OP1 DG A 6 -7.063 6.748 -8.408 1.00 0.00 O ATOM 164 OP2 DG A 6 -6.941 7.309 -5.911 1.00 0.00 O ATOM 165 O5' DG A 6 -6.329 5.026 -6.756 1.00 0.00 O ATOM 166 C5' DG A 6 -5.930 4.098 -7.772 1.00 0.00 C ATOM 167 C4' DG A 6 -5.927 2.656 -7.214 1.00 0.00 C ATOM 168 O4' DG A 6 -4.890 2.445 -6.261 1.00 0.00 O ATOM 169 C3' DG A 6 -7.191 2.014 -6.677 1.00 0.00 C ATOM 170 O3' DG A 6 -7.383 0.803 -7.388 1.00 0.00 O ATOM 171 C2' DG A 6 -6.777 1.782 -5.277 1.00 0.00 C ATOM 172 C1' DG A 6 -5.363 1.457 -5.348 1.00 0.00 C ATOM 173 N9 DG A 6 -4.688 1.587 -4.084 1.00 0.00 N ATOM 174 C8 DG A 6 -4.508 2.722 -3.424 1.00 0.00 C ATOM 175 N7 DG A 6 -3.839 2.654 -2.319 1.00 0.00 N ATOM 176 C5 DG A 6 -3.552 1.295 -2.257 1.00 0.00 C ATOM 177 C6 DG A 6 -2.843 0.577 -1.283 1.00 0.00 C ATOM 178 O6 DG A 6 -2.312 1.025 -0.268 1.00 0.00 O ATOM 179 N1 DG A 6 -2.782 -0.775 -1.589 1.00 0.00 N ATOM 180 C2 DG A 6 -3.343 -1.365 -2.714 1.00 0.00 C ATOM 181 N2 DG A 6 -3.216 -2.675 -2.917 1.00 0.00 N ATOM 182 N3 DG A 6 -4.015 -0.677 -3.632 1.00 0.00 N ATOM 183 C4 DG A 6 -4.075 0.633 -3.341 1.00 0.00 C ATOM 0 H5' DG A 6 -4.936 4.355 -8.138 1.00 0.00 H new ATOM 0 H5'' DG A 6 -6.610 4.165 -8.621 1.00 0.00 H new ATOM 0 H4' DG A 6 -5.773 2.140 -8.162 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.122 2.574 -6.764 1.00 0.00 H new ATOM 0 H2' DG A 6 -6.948 2.667 -4.664 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.346 0.968 -4.828 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.186 0.423 -5.643 1.00 0.00 H new ATOM 0 H8 DG A 6 -4.901 3.659 -3.791 1.00 0.00 H new ATOM 0 H1 DG A 6 -2.286 -1.383 -0.937 1.00 0.00 H new ATOM 0 H21 DG A 6 -3.629 -3.105 -3.744 1.00 0.00 H new ATOM 0 H22 DG A 6 -2.705 -3.248 -2.245 1.00 0.00 H new ATOM 195 P DT A 7 -8.822 0.189 -7.704 1.00 0.00 P ATOM 196 OP1 DT A 7 -9.124 0.405 -9.134 1.00 0.00 O ATOM 197 OP2 DT A 7 -9.789 0.587 -6.653 1.00 0.00 O ATOM 198 O5' DT A 7 -8.386 -1.325 -7.482 1.00 0.00 O ATOM 199 C5' DT A 7 -9.194 -2.251 -6.781 1.00 0.00 C ATOM 200 C4' DT A 7 -8.331 -3.257 -6.072 1.00 0.00 C ATOM 201 O4' DT A 7 -7.619 -4.077 -6.986 1.00 0.00 O ATOM 202 C3' DT A 7 -7.399 -2.728 -4.984 1.00 0.00 C ATOM 203 O3' DT A 7 -7.204 -3.707 -3.957 1.00 0.00 O ATOM 204 C2' DT A 7 -6.177 -2.664 -5.857 1.00 0.00 C ATOM 205 C1' DT A 7 -6.235 -3.882 -6.766 1.00 0.00 C ATOM 206 N1 DT A 7 -5.707 -3.701 -8.131 1.00 0.00 N ATOM 207 C2 DT A 7 -4.646 -4.500 -8.532 1.00 0.00 C ATOM 208 O2 DT A 7 -4.099 -5.314 -7.789 1.00 0.00 O ATOM 209 N3 DT A 7 -4.224 -4.330 -9.832 1.00 0.00 N ATOM 210 C4 DT A 7 -4.756 -3.448 -10.752 1.00 0.00 C ATOM 211 O4 DT A 7 -4.291 -3.397 -11.889 1.00 0.00 O ATOM 212 C5 DT A 7 -5.859 -2.647 -10.254 1.00 0.00 C ATOM 213 C7 DT A 7 -6.511 -1.646 -11.216 1.00 0.00 C ATOM 214 C6 DT A 7 -6.297 -2.792 -8.975 1.00 0.00 C ATOM 0 H5' DT A 7 -9.863 -2.759 -7.475 1.00 0.00 H new ATOM 0 H5'' DT A 7 -9.821 -1.726 -6.060 1.00 0.00 H new ATOM 0 H4' DT A 7 -9.062 -3.852 -5.524 1.00 0.00 H new ATOM 0 H3' DT A 7 -7.709 -1.825 -4.457 1.00 0.00 H new ATOM 0 H2' DT A 7 -6.165 -1.744 -6.441 1.00 0.00 H new ATOM 0 H2'' DT A 7 -5.269 -2.672 -5.255 1.00 0.00 H new ATOM 0 H1' DT A 7 -5.653 -4.667 -6.283 1.00 0.00 H new ATOM 0 H3 DT A 7 -3.445 -4.910 -10.145 1.00 0.00 H new ATOM 0 H71 DT A 7 -7.562 -1.522 -10.955 1.00 0.00 H new ATOM 0 H72 DT A 7 -6.003 -0.685 -11.140 1.00 0.00 H new ATOM 0 H73 DT A 7 -6.432 -2.019 -12.237 1.00 0.00 H new ATOM 0 H6 DT A 7 -7.117 -2.186 -8.619 1.00 0.00 H new ATOM 227 P DG A 8 -8.287 -4.012 -2.807 1.00 0.00 P ATOM 228 OP1 DG A 8 -8.029 -5.367 -2.275 1.00 0.00 O ATOM 229 OP2 DG A 8 -9.635 -3.656 -3.305 1.00 0.00 O ATOM 230 O5' DG A 8 -7.882 -2.936 -1.693 1.00 0.00 O ATOM 231 C5' DG A 8 -6.732 -3.066 -0.856 1.00 0.00 C ATOM 232 C4' DG A 8 -6.654 -1.827 0.078 1.00 0.00 C ATOM 233 O4' DG A 8 -5.825 -0.680 -0.248 1.00 0.00 O ATOM 234 C3' DG A 8 -7.675 -1.509 1.180 1.00 0.00 C ATOM 235 O3' DG A 8 -7.255 -2.090 2.434 1.00 0.00 O ATOM 236 C2' DG A 8 -7.544 0.002 1.030 1.00 0.00 C ATOM 237 C1' DG A 8 -6.157 0.454 0.605 1.00 0.00 C ATOM 238 N9 DG A 8 -6.527 1.512 -0.390 1.00 0.00 N ATOM 239 C8 DG A 8 -6.676 1.297 -1.716 1.00 0.00 C ATOM 240 N7 DG A 8 -7.036 2.295 -2.454 1.00 0.00 N ATOM 241 C5 DG A 8 -7.152 3.310 -1.513 1.00 0.00 C ATOM 242 C6 DG A 8 -7.520 4.665 -1.711 1.00 0.00 C ATOM 243 O6 DG A 8 -7.804 5.232 -2.763 1.00 0.00 O ATOM 244 N1 DG A 8 -7.513 5.362 -0.518 1.00 0.00 N ATOM 245 C2 DG A 8 -7.194 4.821 0.713 1.00 0.00 C ATOM 246 N2 DG A 8 -7.280 5.627 1.765 1.00 0.00 N ATOM 247 N3 DG A 8 -6.843 3.548 0.905 1.00 0.00 N ATOM 248 C4 DG A 8 -6.842 2.849 -0.249 1.00 0.00 C ATOM 0 H5' DG A 8 -5.829 -3.139 -1.463 1.00 0.00 H new ATOM 0 H5'' DG A 8 -6.795 -3.981 -0.266 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.069 -2.636 0.516 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.697 -1.884 1.129 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.271 0.350 0.296 1.00 0.00 H new ATOM 0 H2'' DG A 8 -7.797 0.476 1.979 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.429 0.743 1.363 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.500 0.322 -2.145 1.00 0.00 H new ATOM 0 H1 DG A 8 -7.762 6.351 -0.548 1.00 0.00 H new ATOM 0 H21 DG A 8 -7.055 5.276 2.696 1.00 0.00 H new ATOM 0 H22 DG A 8 -7.571 6.597 1.642 1.00 0.00 H new ATOM 260 P DT A 9 -7.836 -3.517 2.994 1.00 0.00 P ATOM 261 OP1 DT A 9 -8.847 -4.036 2.045 1.00 0.00 O ATOM 262 OP2 DT A 9 -8.215 -3.318 4.411 1.00 0.00 O ATOM 263 O5' DT A 9 -6.612 -4.566 2.995 1.00 0.00 O ATOM 264 C5' DT A 9 -6.005 -5.245 1.881 1.00 0.00 C ATOM 265 C4' DT A 9 -4.565 -5.717 2.419 1.00 0.00 C ATOM 266 O4' DT A 9 -3.800 -4.647 3.054 1.00 0.00 O ATOM 267 C3' DT A 9 -4.442 -6.840 3.491 1.00 0.00 C ATOM 268 O3' DT A 9 -3.242 -7.612 3.301 1.00 0.00 O ATOM 269 C2' DT A 9 -4.426 -6.035 4.782 1.00 0.00 C ATOM 270 C1' DT A 9 -3.465 -4.920 4.452 1.00 0.00 C ATOM 271 N1 DT A 9 -3.547 -3.685 5.275 1.00 0.00 N ATOM 272 C2 DT A 9 -2.776 -3.559 6.413 1.00 0.00 C ATOM 273 O2 DT A 9 -2.042 -4.457 6.815 1.00 0.00 O ATOM 274 N3 DT A 9 -2.888 -2.344 7.077 1.00 0.00 N ATOM 275 C4 DT A 9 -3.689 -1.271 6.702 1.00 0.00 C ATOM 276 O4 DT A 9 -3.705 -0.240 7.370 1.00 0.00 O ATOM 277 C5 DT A 9 -4.456 -1.510 5.497 1.00 0.00 C ATOM 278 C7 DT A 9 -5.376 -0.424 4.901 1.00 0.00 C ATOM 279 C6 DT A 9 -4.349 -2.685 4.862 1.00 0.00 C ATOM 0 H5' DT A 9 -5.908 -4.583 1.020 1.00 0.00 H new ATOM 0 H5'' DT A 9 -6.606 -6.096 1.562 1.00 0.00 H new ATOM 0 H4' DT A 9 -4.208 -6.089 1.458 1.00 0.00 H new ATOM 0 H3' DT A 9 -5.239 -7.583 3.462 1.00 0.00 H new ATOM 0 H2' DT A 9 -5.416 -5.657 5.038 1.00 0.00 H new ATOM 0 H2'' DT A 9 -4.084 -6.630 5.628 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.440 -5.230 4.656 1.00 0.00 H new ATOM 0 H3 DT A 9 -2.328 -2.228 7.922 1.00 0.00 H new ATOM 0 H71 DT A 9 -5.430 -0.547 3.819 1.00 0.00 H new ATOM 0 H72 DT A 9 -6.375 -0.519 5.328 1.00 0.00 H new ATOM 0 H73 DT A 9 -4.974 0.562 5.134 1.00 0.00 H new ATOM 0 H6 DT A 9 -4.938 -2.839 3.970 1.00 0.00 H new ATOM 292 P DG A 10 -3.260 -9.038 2.523 1.00 0.00 P ATOM 293 OP1 DG A 10 -4.635 -9.583 2.582 1.00 0.00 O ATOM 294 OP2 DG A 10 -2.139 -9.847 3.057 1.00 0.00 O ATOM 295 O5' DG A 10 -2.944 -8.686 0.971 1.00 0.00 O ATOM 296 C5' DG A 10 -1.595 -8.676 0.491 1.00 0.00 C ATOM 297 C4' DG A 10 -1.502 -8.743 -1.077 1.00 0.00 C ATOM 298 O4' DG A 10 -1.997 -7.525 -1.668 1.00 0.00 O ATOM 299 C3' DG A 10 -0.144 -8.982 -1.820 1.00 0.00 C ATOM 300 O3' DG A 10 -0.352 -9.807 -2.986 1.00 0.00 O ATOM 301 C2' DG A 10 0.292 -7.638 -2.293 1.00 0.00 C ATOM 302 C1' DG A 10 -1.071 -7.074 -2.683 1.00 0.00 C ATOM 303 N9 DG A 10 -0.930 -5.626 -2.657 1.00 0.00 N ATOM 304 C8 DG A 10 -0.966 -4.733 -3.673 1.00 0.00 C ATOM 305 N7 DG A 10 -0.769 -3.494 -3.332 1.00 0.00 N ATOM 306 C5 DG A 10 -0.589 -3.584 -1.953 1.00 0.00 C ATOM 307 C6 DG A 10 -0.338 -2.577 -0.998 1.00 0.00 C ATOM 308 O6 DG A 10 -0.240 -1.364 -1.158 1.00 0.00 O ATOM 309 N1 DG A 10 -0.222 -3.082 0.271 1.00 0.00 N ATOM 310 C2 DG A 10 -0.337 -4.415 0.617 1.00 0.00 C ATOM 311 N2 DG A 10 -0.225 -4.757 1.903 1.00 0.00 N ATOM 312 N3 DG A 10 -0.574 -5.370 -0.281 1.00 0.00 N ATOM 313 C4 DG A 10 -0.687 -4.881 -1.537 1.00 0.00 C ATOM 0 H5' DG A 10 -1.057 -9.522 0.918 1.00 0.00 H new ATOM 0 H5'' DG A 10 -1.097 -7.772 0.841 1.00 0.00 H new ATOM 0 H4' DG A 10 -2.079 -9.657 -1.217 1.00 0.00 H new ATOM 0 H3' DG A 10 0.579 -9.468 -1.165 1.00 0.00 H new ATOM 0 H2' DG A 10 0.782 -7.055 -1.513 1.00 0.00 H new ATOM 0 H2'' DG A 10 0.983 -7.691 -3.134 1.00 0.00 H new ATOM 0 H1' DG A 10 -1.423 -7.390 -3.665 1.00 0.00 H new ATOM 0 H8 DG A 10 -1.146 -5.029 -4.696 1.00 0.00 H new ATOM 0 H1 DG A 10 -0.035 -2.418 1.023 1.00 0.00 H new ATOM 0 H21 DG A 10 -0.307 -5.735 2.180 1.00 0.00 H new ATOM 0 H22 DG A 10 -0.058 -4.040 2.609 1.00 0.00 H new ATOM 325 P DG A 11 0.848 -10.306 -3.961 1.00 0.00 P ATOM 326 OP1 DG A 11 0.245 -11.184 -4.988 1.00 0.00 O ATOM 327 OP2 DG A 11 1.935 -10.830 -3.105 1.00 0.00 O ATOM 328 O5' DG A 11 1.399 -8.957 -4.702 1.00 0.00 O ATOM 329 C5' DG A 11 0.910 -8.535 -5.989 1.00 0.00 C ATOM 330 C4' DG A 11 1.557 -7.253 -6.559 1.00 0.00 C ATOM 331 O4' DG A 11 1.251 -6.059 -5.836 1.00 0.00 O ATOM 332 C3' DG A 11 3.059 -7.308 -6.831 1.00 0.00 C ATOM 333 O3' DG A 11 3.169 -7.385 -8.261 1.00 0.00 O ATOM 334 C2' DG A 11 3.581 -6.069 -6.076 1.00 0.00 C ATOM 335 C1' DG A 11 2.371 -5.172 -5.919 1.00 0.00 C ATOM 336 N9 DG A 11 2.384 -4.450 -4.658 1.00 0.00 N ATOM 337 C8 DG A 11 2.725 -4.951 -3.460 1.00 0.00 C ATOM 338 N7 DG A 11 2.725 -4.118 -2.466 1.00 0.00 N ATOM 339 C5 DG A 11 2.328 -2.932 -3.093 1.00 0.00 C ATOM 340 C6 DG A 11 2.133 -1.645 -2.550 1.00 0.00 C ATOM 341 O6 DG A 11 2.314 -1.281 -1.395 1.00 0.00 O ATOM 342 N1 DG A 11 1.721 -0.729 -3.500 1.00 0.00 N ATOM 343 C2 DG A 11 1.518 -0.998 -4.836 1.00 0.00 C ATOM 344 N2 DG A 11 1.082 0.013 -5.603 1.00 0.00 N ATOM 345 N3 DG A 11 1.713 -2.216 -5.360 1.00 0.00 N ATOM 346 C4 DG A 11 2.111 -3.126 -4.434 1.00 0.00 C ATOM 0 H5' DG A 11 -0.166 -8.376 -5.915 1.00 0.00 H new ATOM 0 H5'' DG A 11 1.064 -9.346 -6.701 1.00 0.00 H new ATOM 0 H4' DG A 11 1.068 -7.211 -7.532 1.00 0.00 H new ATOM 0 H3' DG A 11 3.664 -8.145 -6.482 1.00 0.00 H new ATOM 0 H2' DG A 11 3.998 -6.343 -5.107 1.00 0.00 H new ATOM 0 H2'' DG A 11 4.373 -5.570 -6.635 1.00 0.00 H new ATOM 0 H1' DG A 11 2.346 -4.457 -6.741 1.00 0.00 H new ATOM 0 H8 DG A 11 2.985 -5.991 -3.331 1.00 0.00 H new ATOM 0 H1 DG A 11 1.553 0.227 -3.185 1.00 0.00 H new ATOM 0 H21 DG A 11 0.917 -0.137 -6.598 1.00 0.00 H new ATOM 0 H22 DG A 11 0.916 0.931 -5.191 1.00 0.00 H new ATOM 358 P DT A 12 3.765 -6.293 -9.279 1.00 0.00 P ATOM 359 OP1 DT A 12 3.251 -4.955 -8.912 1.00 0.00 O ATOM 360 OP2 DT A 12 3.590 -6.803 -10.657 1.00 0.00 O ATOM 361 O5' DT A 12 5.318 -6.380 -8.891 1.00 0.00 O ATOM 362 C5' DT A 12 6.018 -7.632 -8.915 1.00 0.00 C ATOM 363 C4' DT A 12 7.331 -7.521 -8.147 1.00 0.00 C ATOM 364 O4' DT A 12 8.095 -6.459 -8.732 1.00 0.00 O ATOM 365 C3' DT A 12 7.081 -7.151 -6.672 1.00 0.00 C ATOM 366 O3' DT A 12 7.146 -8.322 -5.853 1.00 0.00 O ATOM 367 C2' DT A 12 8.296 -6.326 -6.348 1.00 0.00 C ATOM 368 C1' DT A 12 8.703 -5.701 -7.679 1.00 0.00 C ATOM 369 N1 DT A 12 8.482 -4.242 -7.751 1.00 0.00 N ATOM 370 C2 DT A 12 9.509 -3.452 -7.244 1.00 0.00 C ATOM 371 O2 DT A 12 10.547 -3.917 -6.773 1.00 0.00 O ATOM 372 N3 DT A 12 9.314 -2.093 -7.297 1.00 0.00 N ATOM 373 C4 DT A 12 8.203 -1.452 -7.802 1.00 0.00 C ATOM 374 O4 DT A 12 8.150 -0.223 -7.787 1.00 0.00 O ATOM 375 C5 DT A 12 7.174 -2.341 -8.312 1.00 0.00 C ATOM 376 C7 DT A 12 5.904 -1.717 -8.895 1.00 0.00 C ATOM 377 C6 DT A 12 7.331 -3.691 -8.277 1.00 0.00 C ATOM 0 H5' DT A 12 6.216 -7.926 -9.946 1.00 0.00 H new ATOM 0 H5'' DT A 12 5.397 -8.412 -8.475 1.00 0.00 H new ATOM 0 H4' DT A 12 7.848 -8.479 -8.195 1.00 0.00 H new ATOM 0 H3' DT A 12 6.118 -6.667 -6.512 1.00 0.00 H new ATOM 0 H2' DT A 12 8.070 -5.562 -5.604 1.00 0.00 H new ATOM 0 H2'' DT A 12 9.096 -6.943 -5.938 1.00 0.00 H new ATOM 0 H1' DT A 12 9.785 -5.764 -7.793 1.00 0.00 H new ATOM 0 H3 DT A 12 10.061 -1.504 -6.928 1.00 0.00 H new ATOM 0 H71 DT A 12 5.502 -2.368 -9.671 1.00 0.00 H new ATOM 0 H72 DT A 12 5.163 -1.594 -8.105 1.00 0.00 H new ATOM 0 H73 DT A 12 6.141 -0.744 -9.325 1.00 0.00 H new ATOM 0 H6 DT A 12 6.553 -4.334 -8.662 1.00 0.00 H new ATOM 390 P DT A 13 6.462 -8.452 -4.399 1.00 0.00 P ATOM 391 OP1 DT A 13 6.942 -9.722 -3.809 1.00 0.00 O ATOM 392 OP2 DT A 13 5.008 -8.235 -4.561 1.00 0.00 O ATOM 393 O5' DT A 13 7.049 -7.234 -3.501 1.00 0.00 O ATOM 394 C5' DT A 13 8.251 -7.330 -2.713 1.00 0.00 C ATOM 395 C4' DT A 13 8.174 -6.469 -1.435 1.00 0.00 C ATOM 396 O4' DT A 13 8.077 -5.047 -1.692 1.00 0.00 O ATOM 397 C3' DT A 13 6.949 -6.856 -0.591 1.00 0.00 C ATOM 398 O3' DT A 13 7.185 -6.905 0.830 1.00 0.00 O ATOM 399 C2' DT A 13 6.011 -5.721 -0.923 1.00 0.00 C ATOM 400 C1' DT A 13 6.920 -4.513 -1.019 1.00 0.00 C ATOM 401 N1 DT A 13 6.304 -3.346 -1.710 1.00 0.00 N ATOM 402 C2 DT A 13 5.952 -2.228 -0.950 1.00 0.00 C ATOM 403 O2 DT A 13 6.121 -2.164 0.267 1.00 0.00 O ATOM 404 N3 DT A 13 5.390 -1.169 -1.647 1.00 0.00 N ATOM 405 C4 DT A 13 5.149 -1.129 -3.012 1.00 0.00 C ATOM 406 O4 DT A 13 4.637 -0.134 -3.521 1.00 0.00 O ATOM 407 C5 DT A 13 5.545 -2.333 -3.718 1.00 0.00 C ATOM 408 C7 DT A 13 5.346 -2.437 -5.234 1.00 0.00 C ATOM 409 C6 DT A 13 6.094 -3.374 -3.063 1.00 0.00 C ATOM 0 H5' DT A 13 9.104 -7.013 -3.313 1.00 0.00 H new ATOM 0 H5'' DT A 13 8.423 -8.371 -2.439 1.00 0.00 H new ATOM 0 H4' DT A 13 9.109 -6.667 -0.911 1.00 0.00 H new ATOM 0 H3' DT A 13 6.597 -7.863 -0.816 1.00 0.00 H new ATOM 0 H2' DT A 13 5.484 -5.900 -1.860 1.00 0.00 H new ATOM 0 H2'' DT A 13 5.253 -5.590 -0.151 1.00 0.00 H new ATOM 0 H1' DT A 13 7.156 -4.082 -0.046 1.00 0.00 H new ATOM 0 H3 DT A 13 5.130 -0.344 -1.106 1.00 0.00 H new ATOM 0 H71 DT A 13 4.483 -1.841 -5.529 1.00 0.00 H new ATOM 0 H72 DT A 13 6.235 -2.066 -5.744 1.00 0.00 H new ATOM 0 H73 DT A 13 5.179 -3.479 -5.508 1.00 0.00 H new ATOM 0 H6 DT A 13 6.376 -4.255 -3.620 1.00 0.00 H new ATOM 422 P DG A 14 6.120 -7.634 1.817 1.00 0.00 P ATOM 423 OP1 DG A 14 6.732 -8.902 2.274 1.00 0.00 O ATOM 424 OP2 DG A 14 4.802 -7.661 1.144 1.00 0.00 O ATOM 425 O5' DG A 14 5.970 -6.651 3.093 1.00 0.00 O ATOM 426 C5' DG A 14 6.652 -6.846 4.342 1.00 0.00 C ATOM 427 C4' DG A 14 5.828 -6.315 5.526 1.00 0.00 C ATOM 428 O4' DG A 14 5.568 -4.897 5.411 1.00 0.00 O ATOM 429 C3' DG A 14 4.461 -7.007 5.668 1.00 0.00 C ATOM 430 O3' DG A 14 4.149 -7.216 7.058 1.00 0.00 O ATOM 431 C2' DG A 14 3.576 -5.994 4.979 1.00 0.00 C ATOM 432 C1' DG A 14 4.148 -4.669 5.449 1.00 0.00 C ATOM 433 N9 DG A 14 3.732 -3.510 4.629 1.00 0.00 N ATOM 434 C8 DG A 14 3.559 -2.215 5.019 1.00 0.00 C ATOM 435 N7 DG A 14 3.178 -1.383 4.099 1.00 0.00 N ATOM 436 C5 DG A 14 3.085 -2.201 2.977 1.00 0.00 C ATOM 437 C6 DG A 14 2.713 -1.870 1.652 1.00 0.00 C ATOM 438 O6 DG A 14 2.383 -0.776 1.214 1.00 0.00 O ATOM 439 N1 DG A 14 2.746 -2.972 0.819 1.00 0.00 N ATOM 440 C2 DG A 14 3.092 -4.246 1.201 1.00 0.00 C ATOM 441 N2 DG A 14 3.058 -5.169 0.244 1.00 0.00 N ATOM 442 N3 DG A 14 3.445 -4.567 2.450 1.00 0.00 N ATOM 443 C4 DG A 14 3.420 -3.499 3.283 1.00 0.00 C ATOM 0 H5' DG A 14 7.617 -6.340 4.313 1.00 0.00 H new ATOM 0 H5'' DG A 14 6.853 -7.908 4.485 1.00 0.00 H new ATOM 0 H4' DG A 14 6.442 -6.529 6.401 1.00 0.00 H new ATOM 0 H3' DG A 14 4.373 -8.006 5.241 1.00 0.00 H new ATOM 0 H2' DG A 14 3.620 -6.091 3.894 1.00 0.00 H new ATOM 0 H2'' DG A 14 2.531 -6.108 5.267 1.00 0.00 H new ATOM 0 H1' DG A 14 3.783 -4.393 6.438 1.00 0.00 H new ATOM 0 H8 DG A 14 3.730 -1.899 6.038 1.00 0.00 H new ATOM 0 H1 DG A 14 2.493 -2.828 -0.159 1.00 0.00 H new ATOM 0 H21 DG A 14 3.303 -6.136 0.459 1.00 0.00 H new ATOM 0 H22 DG A 14 2.787 -4.910 -0.705 1.00 0.00 H new ATOM 455 P DG A 15 2.657 -7.400 7.663 1.00 0.00 P ATOM 456 OP1 DG A 15 2.765 -8.148 8.936 1.00 0.00 O ATOM 457 OP2 DG A 15 1.766 -7.900 6.591 1.00 0.00 O ATOM 458 O5' DG A 15 2.232 -5.880 8.001 1.00 0.00 O ATOM 459 C5' DG A 15 2.902 -5.147 9.040 1.00 0.00 C ATOM 460 C4' DG A 15 2.186 -3.845 9.429 1.00 0.00 C ATOM 461 O4' DG A 15 2.076 -2.961 8.290 1.00 0.00 O ATOM 462 C3' DG A 15 0.756 -4.069 9.941 1.00 0.00 C ATOM 463 O3' DG A 15 0.345 -2.959 10.750 1.00 0.00 O ATOM 464 C2' DG A 15 0.018 -3.998 8.629 1.00 0.00 C ATOM 465 C1' DG A 15 0.686 -2.816 7.944 1.00 0.00 C ATOM 466 N9 DG A 15 0.482 -2.721 6.483 1.00 0.00 N ATOM 467 C8 DG A 15 0.696 -3.641 5.501 1.00 0.00 C ATOM 468 N7 DG A 15 0.438 -3.253 4.288 1.00 0.00 N ATOM 469 C5 DG A 15 0.008 -1.942 4.479 1.00 0.00 C ATOM 470 C6 DG A 15 -0.419 -0.983 3.529 1.00 0.00 C ATOM 471 O6 DG A 15 -0.496 -1.104 2.312 1.00 0.00 O ATOM 472 N1 DG A 15 -0.768 0.212 4.127 1.00 0.00 N ATOM 473 C2 DG A 15 -0.718 0.470 5.479 1.00 0.00 C ATOM 474 N2 DG A 15 -1.095 1.688 5.876 1.00 0.00 N ATOM 475 N3 DG A 15 -0.317 -0.432 6.380 1.00 0.00 N ATOM 476 C4 DG A 15 0.030 -1.610 5.811 1.00 0.00 C ATOM 0 H5' DG A 15 3.915 -4.912 8.713 1.00 0.00 H new ATOM 0 H5'' DG A 15 2.991 -5.781 9.922 1.00 0.00 H new ATOM 0 H4' DG A 15 2.795 -3.415 10.225 1.00 0.00 H new ATOM 0 H3' DG A 15 0.612 -4.970 10.537 1.00 0.00 H new ATOM 0 H2' DG A 15 0.126 -4.916 8.052 1.00 0.00 H new ATOM 0 H2'' DG A 15 -1.050 -3.835 8.772 1.00 0.00 H new ATOM 0 HO3' DG A 15 -0.569 -3.109 11.071 1.00 0.00 H new ATOM 0 H1' DG A 15 0.240 -1.882 8.286 1.00 0.00 H new ATOM 0 H8 DG A 15 1.059 -4.635 5.718 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.089 0.965 3.518 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.077 1.930 6.867 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.401 2.376 5.188 1.00 0.00 H new TER 489 DG A 15