USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 127 hydrogens (12 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 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.872 (180deg=-0.872) USER MOD Single : A 10 DT C7 :methyl -30:sc= -2.57 (180deg=-5.85!) USER MOD Single : A 11 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -7.412 12.850 -3.689 1.00 0.00 O ATOM 2 C5' DT A 1 -7.356 11.563 -3.068 1.00 0.00 C ATOM 3 C4' DT A 1 -6.578 10.585 -3.920 1.00 0.00 C ATOM 4 O4' DT A 1 -5.237 10.477 -3.386 1.00 0.00 O ATOM 5 C3' DT A 1 -7.144 9.162 -3.955 1.00 0.00 C ATOM 6 O3' DT A 1 -7.283 8.720 -5.311 1.00 0.00 O ATOM 7 C2' DT A 1 -6.103 8.325 -3.227 1.00 0.00 C ATOM 8 C1' DT A 1 -4.835 9.126 -3.424 1.00 0.00 C ATOM 9 N1 DT A 1 -3.804 8.929 -2.386 1.00 0.00 N ATOM 10 C2 DT A 1 -2.547 8.536 -2.783 1.00 0.00 C ATOM 11 O2 DT A 1 -2.245 8.341 -3.948 1.00 0.00 O ATOM 12 N3 DT A 1 -1.648 8.379 -1.762 1.00 0.00 N ATOM 13 C4 DT A 1 -1.874 8.567 -0.415 1.00 0.00 C ATOM 14 O4 DT A 1 -0.966 8.377 0.389 1.00 0.00 O ATOM 15 C5 DT A 1 -3.216 8.980 -0.067 1.00 0.00 C ATOM 16 C7 DT A 1 -3.550 9.219 1.372 1.00 0.00 C ATOM 17 C6 DT A 1 -4.107 9.139 -1.055 1.00 0.00 C ATOM 0 H5' DT A 1 -8.367 11.188 -2.908 1.00 0.00 H new ATOM 0 H5'' DT A 1 -6.889 11.648 -2.087 1.00 0.00 H new ATOM 0 H4' DT A 1 -6.625 10.983 -4.934 1.00 0.00 H new ATOM 0 H3' DT A 1 -8.130 9.090 -3.496 1.00 0.00 H new ATOM 0 H2' DT A 1 -6.346 8.205 -2.171 1.00 0.00 H new ATOM 0 H2'' DT A 1 -6.020 7.324 -3.651 1.00 0.00 H new ATOM 0 HO5' DT A 1 -7.921 13.465 -3.121 1.00 0.00 H new ATOM 0 H1' DT A 1 -4.374 8.806 -4.358 1.00 0.00 H new ATOM 0 H3 DT A 1 -0.706 8.091 -2.028 1.00 0.00 H new ATOM 0 H71 DT A 1 -4.326 9.981 1.444 1.00 0.00 H new ATOM 0 H72 DT A 1 -3.908 8.293 1.821 1.00 0.00 H new ATOM 0 H73 DT A 1 -2.659 9.558 1.901 1.00 0.00 H new ATOM 0 H6 DT A 1 -5.110 9.446 -0.798 1.00 0.00 H new ATOM 31 P DA A 2 -7.950 7.289 -5.624 1.00 0.00 P ATOM 32 OP1 DA A 2 -8.815 7.433 -6.822 1.00 0.00 O ATOM 33 OP2 DA A 2 -8.530 6.771 -4.359 1.00 0.00 O ATOM 34 O5' DA A 2 -6.711 6.363 -6.007 1.00 0.00 O ATOM 35 C5' DA A 2 -5.843 6.706 -7.089 1.00 0.00 C ATOM 36 C4' DA A 2 -4.600 5.849 -7.057 1.00 0.00 C ATOM 37 O4' DA A 2 -3.873 6.120 -5.834 1.00 0.00 O ATOM 38 C3' DA A 2 -4.846 4.335 -7.080 1.00 0.00 C ATOM 39 O3' DA A 2 -4.003 3.720 -8.061 1.00 0.00 O ATOM 40 C2' DA A 2 -4.469 3.878 -5.681 1.00 0.00 C ATOM 41 C1' DA A 2 -3.435 4.901 -5.273 1.00 0.00 C ATOM 42 N9 DA A 2 -3.292 5.093 -3.830 1.00 0.00 N ATOM 43 C8 DA A 2 -4.268 5.416 -2.920 1.00 0.00 C ATOM 44 N7 DA A 2 -3.828 5.527 -1.690 1.00 0.00 N ATOM 45 C5 DA A 2 -2.471 5.254 -1.796 1.00 0.00 C ATOM 46 C6 DA A 2 -1.437 5.209 -0.845 1.00 0.00 C ATOM 47 N6 DA A 2 -1.616 5.444 0.455 1.00 0.00 N ATOM 48 N1 DA A 2 -0.196 4.907 -1.282 1.00 0.00 N ATOM 49 C2 DA A 2 -0.015 4.667 -2.587 1.00 0.00 C ATOM 50 N3 DA A 2 -0.905 4.680 -3.576 1.00 0.00 N ATOM 51 C4 DA A 2 -2.128 4.984 -3.108 1.00 0.00 C ATOM 0 H5' DA A 2 -5.569 7.759 -7.024 1.00 0.00 H new ATOM 0 H5'' DA A 2 -6.362 6.570 -8.038 1.00 0.00 H new ATOM 0 H4' DA A 2 -4.058 6.110 -7.966 1.00 0.00 H new ATOM 0 H3' DA A 2 -5.872 4.071 -7.338 1.00 0.00 H new ATOM 0 H2' DA A 2 -5.327 3.877 -5.009 1.00 0.00 H new ATOM 0 H2'' DA A 2 -4.062 2.867 -5.680 1.00 0.00 H new ATOM 0 H1' DA A 2 -2.461 4.556 -5.619 1.00 0.00 H new ATOM 0 H8 DA A 2 -5.302 5.565 -3.192 1.00 0.00 H new ATOM 0 H61 DA A 2 -0.824 5.396 1.096 1.00 0.00 H new ATOM 0 H62 DA A 2 -2.545 5.672 0.809 1.00 0.00 H new ATOM 0 H2 DA A 2 0.997 4.429 -2.878 1.00 0.00 H new ATOM 63 P DT A 3 -4.075 2.130 -8.299 1.00 0.00 P ATOM 64 OP1 DT A 3 -3.896 1.875 -9.752 1.00 0.00 O ATOM 65 OP2 DT A 3 -5.287 1.617 -7.610 1.00 0.00 O ATOM 66 O5' DT A 3 -2.796 1.569 -7.533 1.00 0.00 O ATOM 67 C5' DT A 3 -1.474 1.872 -7.984 1.00 0.00 C ATOM 68 C4' DT A 3 -0.451 1.223 -7.082 1.00 0.00 C ATOM 69 O4' DT A 3 -0.592 1.776 -5.753 1.00 0.00 O ATOM 70 C3' DT A 3 -0.587 -0.298 -6.934 1.00 0.00 C ATOM 71 O3' DT A 3 0.665 -0.935 -7.212 1.00 0.00 O ATOM 72 C2' DT A 3 -0.973 -0.503 -5.477 1.00 0.00 C ATOM 73 C1' DT A 3 -0.444 0.744 -4.804 1.00 0.00 C ATOM 74 N1 DT A 3 -1.168 1.145 -3.583 1.00 0.00 N ATOM 75 C2 DT A 3 -0.455 1.281 -2.414 1.00 0.00 C ATOM 76 O2 DT A 3 0.745 1.084 -2.336 1.00 0.00 O ATOM 77 N3 DT A 3 -1.203 1.655 -1.330 1.00 0.00 N ATOM 78 C4 DT A 3 -2.557 1.901 -1.296 1.00 0.00 C ATOM 79 O4 DT A 3 -3.091 2.229 -0.240 1.00 0.00 O ATOM 80 C5 DT A 3 -3.246 1.740 -2.558 1.00 0.00 C ATOM 81 C7 DT A 3 -4.721 1.989 -2.618 1.00 0.00 C ATOM 82 C6 DT A 3 -2.528 1.375 -3.629 1.00 0.00 C ATOM 0 H5' DT A 3 -1.325 2.952 -7.996 1.00 0.00 H new ATOM 0 H5'' DT A 3 -1.342 1.520 -9.007 1.00 0.00 H new ATOM 0 H4' DT A 3 0.513 1.423 -7.549 1.00 0.00 H new ATOM 0 H3' DT A 3 -1.318 -0.723 -7.622 1.00 0.00 H new ATOM 0 H2' DT A 3 -2.052 -0.600 -5.355 1.00 0.00 H new ATOM 0 H2'' DT A 3 -0.523 -1.406 -5.064 1.00 0.00 H new ATOM 0 H1' DT A 3 0.581 0.549 -4.489 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.701 1.764 -0.449 1.00 0.00 H new ATOM 0 H71 DT A 3 -4.989 2.348 -3.612 1.00 0.00 H new ATOM 0 H72 DT A 3 -5.255 1.062 -2.411 1.00 0.00 H new ATOM 0 H73 DT A 3 -4.994 2.739 -1.876 1.00 0.00 H new ATOM 0 H6 DT A 3 -3.038 1.255 -4.573 1.00 0.00 H new ATOM 95 P DC A 4 0.723 -2.530 -7.420 1.00 0.00 P ATOM 96 OP1 DC A 4 1.737 -2.819 -8.466 1.00 0.00 O ATOM 97 OP2 DC A 4 -0.669 -3.019 -7.596 1.00 0.00 O ATOM 98 O5' DC A 4 1.264 -3.081 -6.026 1.00 0.00 O ATOM 99 C5' DC A 4 2.667 -3.141 -5.753 1.00 0.00 C ATOM 100 C4' DC A 4 2.929 -4.011 -4.546 1.00 0.00 C ATOM 101 O4' DC A 4 2.325 -3.391 -3.385 1.00 0.00 O ATOM 102 C3' DC A 4 2.343 -5.422 -4.621 1.00 0.00 C ATOM 103 O3' DC A 4 3.234 -6.359 -4.005 1.00 0.00 O ATOM 104 C2' DC A 4 1.050 -5.310 -3.833 1.00 0.00 C ATOM 105 C1' DC A 4 1.405 -4.281 -2.776 1.00 0.00 C ATOM 106 N1 DC A 4 0.274 -3.481 -2.271 1.00 0.00 N ATOM 107 C2 DC A 4 0.258 -3.117 -0.920 1.00 0.00 C ATOM 108 O2 DC A 4 1.192 -3.477 -0.188 1.00 0.00 O ATOM 109 N3 DC A 4 -0.773 -2.383 -0.445 1.00 0.00 N ATOM 110 C4 DC A 4 -1.761 -2.015 -1.262 1.00 0.00 C ATOM 111 N4 DC A 4 -2.757 -1.294 -0.748 1.00 0.00 N ATOM 112 C5 DC A 4 -1.772 -2.372 -2.641 1.00 0.00 C ATOM 113 C6 DC A 4 -0.743 -3.095 -3.100 1.00 0.00 C ATOM 0 H5' DC A 4 3.054 -2.137 -5.577 1.00 0.00 H new ATOM 0 H5'' DC A 4 3.196 -3.539 -6.619 1.00 0.00 H new ATOM 0 H4' DC A 4 4.014 -4.102 -4.494 1.00 0.00 H new ATOM 0 H3' DC A 4 2.186 -5.772 -5.641 1.00 0.00 H new ATOM 0 H2' DC A 4 0.220 -4.981 -4.458 1.00 0.00 H new ATOM 0 H2'' DC A 4 0.759 -6.263 -3.391 1.00 0.00 H new ATOM 0 H1' DC A 4 1.792 -4.823 -1.913 1.00 0.00 H new ATOM 0 H41 DC A 4 -3.530 -0.995 -1.343 1.00 0.00 H new ATOM 0 H42 DC A 4 -2.747 -1.042 0.240 1.00 0.00 H new ATOM 0 H5 DC A 4 -2.580 -2.071 -3.292 1.00 0.00 H new ATOM 0 H6 DC A 4 -0.716 -3.378 -4.142 1.00 0.00 H new ATOM 125 P DA A 5 3.117 -7.926 -4.354 1.00 0.00 P ATOM 126 OP1 DA A 5 4.320 -8.292 -5.143 1.00 0.00 O ATOM 127 OP2 DA A 5 1.766 -8.190 -4.911 1.00 0.00 O ATOM 128 O5' DA A 5 3.217 -8.648 -2.937 1.00 0.00 O ATOM 129 C5' DA A 5 3.579 -7.924 -1.759 1.00 0.00 C ATOM 130 C4' DA A 5 2.607 -8.227 -0.642 1.00 0.00 C ATOM 131 O4' DA A 5 1.396 -7.465 -0.861 1.00 0.00 O ATOM 132 C3' DA A 5 2.171 -9.691 -0.546 1.00 0.00 C ATOM 133 O3' DA A 5 2.016 -10.067 0.827 1.00 0.00 O ATOM 134 C2' DA A 5 0.841 -9.707 -1.276 1.00 0.00 C ATOM 135 C1' DA A 5 0.280 -8.336 -0.951 1.00 0.00 C ATOM 136 N9 DA A 5 -0.634 -7.789 -1.952 1.00 0.00 N ATOM 137 C8 DA A 5 -0.796 -8.177 -3.259 1.00 0.00 C ATOM 138 N7 DA A 5 -1.707 -7.490 -3.905 1.00 0.00 N ATOM 139 C5 DA A 5 -2.171 -6.585 -2.963 1.00 0.00 C ATOM 140 C6 DA A 5 -3.145 -5.574 -3.021 1.00 0.00 C ATOM 141 N6 DA A 5 -3.856 -5.291 -4.114 1.00 0.00 N ATOM 142 N1 DA A 5 -3.367 -4.850 -1.903 1.00 0.00 N ATOM 143 C2 DA A 5 -2.652 -5.132 -0.805 1.00 0.00 C ATOM 144 N3 DA A 5 -1.714 -6.058 -0.627 1.00 0.00 N ATOM 145 C4 DA A 5 -1.519 -6.757 -1.756 1.00 0.00 C ATOM 0 H5' DA A 5 3.583 -6.854 -1.967 1.00 0.00 H new ATOM 0 H5'' DA A 5 4.590 -8.193 -1.454 1.00 0.00 H new ATOM 0 H4' DA A 5 3.137 -7.972 0.276 1.00 0.00 H new ATOM 0 H3' DA A 5 2.889 -10.392 -0.972 1.00 0.00 H new ATOM 0 H2' DA A 5 0.967 -9.851 -2.349 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.191 -10.507 -0.921 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.303 -8.428 -0.035 1.00 0.00 H new ATOM 0 H8 DA A 5 -0.226 -8.974 -3.713 1.00 0.00 H new ATOM 0 H61 DA A 5 -4.550 -4.544 -4.092 1.00 0.00 H new ATOM 0 H62 DA A 5 -3.706 -5.822 -4.972 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.868 -4.520 0.058 1.00 0.00 H new HETATM 157 P 0DT A 6 1.505 -11.546 1.200 1.00 0.00 P HETATM 158 OP1 0DT A 6 2.237 -11.998 2.411 1.00 0.00 O HETATM 159 OP2 0DT A 6 1.546 -12.374 -0.033 1.00 0.00 O HETATM 160 O5' 0DT A 6 -0.023 -11.324 1.596 1.00 0.00 O HETATM 161 C5' 0DT A 6 -0.431 -10.165 2.325 1.00 0.00 C HETATM 162 C4' 0DT A 6 -1.332 -10.561 3.472 1.00 0.00 C HETATM 163 O4' 0DT A 6 -1.933 -11.843 3.177 1.00 0.00 O HETATM 164 C3' 0DT A 6 -2.501 -9.618 3.740 1.00 0.00 C HETATM 165 O3' 0DT A 6 -2.863 -9.643 5.126 1.00 0.00 O HETATM 166 C2' 0DT A 6 -3.619 -10.192 2.886 1.00 0.00 C HETATM 167 C1' 0DT A 6 -3.285 -11.676 2.771 1.00 0.00 C HETATM 168 N1 0DT A 6 -3.421 -12.219 1.404 1.00 0.00 N HETATM 169 C2 0DT A 6 -4.384 -13.177 1.178 1.00 0.00 C HETATM 170 O2 0DT A 6 -5.119 -13.602 2.053 1.00 0.00 O HETATM 171 N3 0DT A 6 -4.458 -13.622 -0.114 1.00 0.00 N HETATM 172 C4 0DT A 6 -3.687 -13.218 -1.181 1.00 0.00 C HETATM 173 O4 0DT A 6 -3.873 -13.711 -2.289 1.00 0.00 O HETATM 174 C5 0DT A 6 -2.693 -12.212 -0.878 1.00 0.00 C HETATM 175 C5M 0DT A 6 -1.835 -11.684 -1.984 1.00 0.00 C HETATM 176 C6 0DT A 6 -2.604 -11.769 0.384 1.00 0.00 C HETATM 0 H5'' 0DT A 6 0.444 -9.639 2.705 1.00 0.00 H new HETATM 0 H2'' 0DT A 6 -4.593 -10.039 3.351 1.00 0.00 H new HETATM 0 H73 0DT A 6 -1.268 -12.503 -2.427 1.00 0.00 H new HETATM 0 H72 0DT A 6 -2.465 -11.225 -2.746 1.00 0.00 H new HETATM 0 H71 0DT A 6 -1.146 -10.939 -1.586 1.00 0.00 H new HETATM 0 H6 0DT A 6 -1.850 -11.017 0.617 1.00 0.00 H new HETATM 0 H5' 0DT A 6 -0.955 -9.475 1.663 1.00 0.00 H new HETATM 0 H4' 0DT A 6 -0.681 -10.554 4.347 1.00 0.00 H new HETATM 0 H3' 0DT A 6 -2.273 -8.578 3.504 1.00 0.00 H new HETATM 0 H3 0DT A 6 -5.163 -14.333 -0.308 1.00 0.00 H new HETATM 0 H2' 0DT A 6 -3.655 -9.716 1.906 1.00 0.00 H new HETATM 0 H1' 0DT A 6 -3.995 -12.217 3.397 1.00 0.00 H new ATOM 189 P DC A 7 -3.914 -8.564 5.695 1.00 0.00 P ATOM 190 OP1 DC A 7 -4.868 -9.296 6.568 1.00 0.00 O ATOM 191 OP2 DC A 7 -4.431 -7.760 4.557 1.00 0.00 O ATOM 192 O5' DC A 7 -3.029 -7.607 6.612 1.00 0.00 O ATOM 193 C5' DC A 7 -3.166 -7.615 8.034 1.00 0.00 C ATOM 194 C4' DC A 7 -2.196 -6.641 8.660 1.00 0.00 C ATOM 195 O4' DC A 7 -0.914 -6.763 7.999 1.00 0.00 O ATOM 196 C3' DC A 7 -2.584 -5.168 8.539 1.00 0.00 C ATOM 197 O3' DC A 7 -2.114 -4.438 9.680 1.00 0.00 O ATOM 198 C2' DC A 7 -1.864 -4.723 7.279 1.00 0.00 C ATOM 199 C1' DC A 7 -0.594 -5.563 7.307 1.00 0.00 C ATOM 200 N1 DC A 7 -0.060 -5.939 5.986 1.00 0.00 N ATOM 201 C2 DC A 7 1.328 -6.012 5.820 1.00 0.00 C ATOM 202 O2 DC A 7 2.062 -5.750 6.786 1.00 0.00 O ATOM 203 N3 DC A 7 1.833 -6.365 4.618 1.00 0.00 N ATOM 204 C4 DC A 7 1.010 -6.641 3.603 1.00 0.00 C ATOM 205 N4 DC A 7 1.556 -6.989 2.438 1.00 0.00 N ATOM 206 C5 DC A 7 -0.406 -6.574 3.740 1.00 0.00 C ATOM 207 C6 DC A 7 -0.894 -6.219 4.939 1.00 0.00 C ATOM 0 H5' DC A 7 -2.983 -8.619 8.418 1.00 0.00 H new ATOM 0 H5'' DC A 7 -4.187 -7.350 8.309 1.00 0.00 H new ATOM 0 H4' DC A 7 -2.184 -6.903 9.718 1.00 0.00 H new ATOM 0 H3' DC A 7 -3.660 -5.003 8.493 1.00 0.00 H new ATOM 0 H2' DC A 7 -2.457 -4.914 6.385 1.00 0.00 H new ATOM 0 H2'' DC A 7 -1.644 -3.655 7.293 1.00 0.00 H new ATOM 0 H1' DC A 7 0.178 -4.956 7.781 1.00 0.00 H new ATOM 0 H41 DC A 7 0.959 -7.207 1.640 1.00 0.00 H new ATOM 0 H42 DC A 7 2.571 -7.037 2.344 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.061 -6.800 2.912 1.00 0.00 H new ATOM 0 H6 DC A 7 -1.963 -6.153 5.079 1.00 0.00 H new ATOM 219 P DG A 8 -2.791 -3.031 10.066 1.00 0.00 P ATOM 220 OP1 DG A 8 -3.091 -3.047 11.521 1.00 0.00 O ATOM 221 OP2 DG A 8 -3.885 -2.766 9.096 1.00 0.00 O ATOM 222 O5' DG A 8 -1.637 -1.965 9.805 1.00 0.00 O ATOM 223 C5' DG A 8 -0.311 -2.179 10.295 1.00 0.00 C ATOM 224 C4' DG A 8 0.705 -1.636 9.319 1.00 0.00 C ATOM 225 O4' DG A 8 0.307 -2.000 7.973 1.00 0.00 O ATOM 226 C3' DG A 8 0.857 -0.111 9.322 1.00 0.00 C ATOM 227 O3' DG A 8 2.245 0.247 9.283 1.00 0.00 O ATOM 228 C2' DG A 8 0.154 0.326 8.048 1.00 0.00 C ATOM 229 C1' DG A 8 0.368 -0.862 7.136 1.00 0.00 C ATOM 230 N9 DG A 8 -0.639 -1.014 6.090 1.00 0.00 N ATOM 231 C8 DG A 8 -2.003 -0.989 6.246 1.00 0.00 C ATOM 232 N7 DG A 8 -2.652 -1.136 5.123 1.00 0.00 N ATOM 233 C5 DG A 8 -1.654 -1.271 4.166 1.00 0.00 C ATOM 234 C6 DG A 8 -1.746 -1.462 2.763 1.00 0.00 C ATOM 235 O6 DG A 8 -2.761 -1.548 2.062 1.00 0.00 O ATOM 236 N1 DG A 8 -0.490 -1.553 2.176 1.00 0.00 N ATOM 237 C2 DG A 8 0.703 -1.469 2.850 1.00 0.00 C ATOM 238 N2 DG A 8 1.810 -1.577 2.107 1.00 0.00 N ATOM 239 N3 DG A 8 0.804 -1.292 4.157 1.00 0.00 N ATOM 240 C4 DG A 8 -0.406 -1.201 4.748 1.00 0.00 C ATOM 0 H5' DG A 8 -0.142 -3.244 10.451 1.00 0.00 H new ATOM 0 H5'' DG A 8 -0.191 -1.692 11.263 1.00 0.00 H new ATOM 0 H4' DG A 8 1.656 -2.067 9.633 1.00 0.00 H new ATOM 0 H3' DG A 8 0.440 0.359 10.213 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.905 0.524 8.216 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.588 1.237 7.637 1.00 0.00 H new ATOM 0 H1' DG A 8 1.317 -0.728 6.617 1.00 0.00 H new ATOM 0 H8 DG A 8 -2.490 -0.861 7.201 1.00 0.00 H new ATOM 0 H1 DG A 8 -0.451 -1.693 1.166 1.00 0.00 H new ATOM 0 H21 DG A 8 2.728 -1.523 2.549 1.00 0.00 H new ATOM 0 H22 DG A 8 1.736 -1.714 1.099 1.00 0.00 H new ATOM 252 P DA A 9 2.683 1.786 9.454 1.00 0.00 P ATOM 253 OP1 DA A 9 3.573 1.885 10.639 1.00 0.00 O ATOM 254 OP2 DA A 9 1.460 2.626 9.385 1.00 0.00 O ATOM 255 O5' DA A 9 3.554 2.083 8.152 1.00 0.00 O ATOM 256 C5' DA A 9 4.647 1.237 7.790 1.00 0.00 C ATOM 257 C4' DA A 9 5.051 1.487 6.355 1.00 0.00 C ATOM 258 O4' DA A 9 3.934 1.162 5.489 1.00 0.00 O ATOM 259 C3' DA A 9 5.435 2.935 6.030 1.00 0.00 C ATOM 260 O3' DA A 9 6.610 2.960 5.211 1.00 0.00 O ATOM 261 C2' DA A 9 4.232 3.463 5.268 1.00 0.00 C ATOM 262 C1' DA A 9 3.716 2.221 4.579 1.00 0.00 C ATOM 263 N9 DA A 9 2.290 2.257 4.255 1.00 0.00 N ATOM 264 C8 DA A 9 1.235 2.395 5.123 1.00 0.00 C ATOM 265 N7 DA A 9 0.064 2.403 4.533 1.00 0.00 N ATOM 266 C5 DA A 9 0.368 2.259 3.186 1.00 0.00 C ATOM 267 C6 DA A 9 -0.438 2.195 2.037 1.00 0.00 C ATOM 268 N6 DA A 9 -1.769 2.272 2.063 1.00 0.00 N ATOM 269 N1 DA A 9 0.180 2.046 0.845 1.00 0.00 N ATOM 270 C2 DA A 9 1.517 1.969 0.821 1.00 0.00 C ATOM 271 N3 DA A 9 2.381 2.016 1.832 1.00 0.00 N ATOM 272 C4 DA A 9 1.735 2.164 3.002 1.00 0.00 C ATOM 0 H5' DA A 9 4.365 0.192 7.919 1.00 0.00 H new ATOM 0 H5'' DA A 9 5.494 1.422 8.451 1.00 0.00 H new ATOM 0 H4' DA A 9 5.932 0.865 6.198 1.00 0.00 H new ATOM 0 H3' DA A 9 5.663 3.530 6.914 1.00 0.00 H new ATOM 0 H2' DA A 9 3.487 3.897 5.935 1.00 0.00 H new ATOM 0 H2'' DA A 9 4.511 4.238 4.554 1.00 0.00 H new ATOM 0 H1' DA A 9 4.236 2.116 3.627 1.00 0.00 H new ATOM 0 H8 DA A 9 1.358 2.488 6.192 1.00 0.00 H new ATOM 0 H61 DA A 9 -2.300 2.219 1.194 1.00 0.00 H new ATOM 0 H62 DA A 9 -2.256 2.384 2.952 1.00 0.00 H new ATOM 0 H2 DA A 9 1.957 1.852 -0.159 1.00 0.00 H new ATOM 284 P DT A 10 7.176 4.362 4.658 1.00 0.00 P ATOM 285 OP1 DT A 10 8.631 4.413 4.948 1.00 0.00 O ATOM 286 OP2 DT A 10 6.294 5.452 5.148 1.00 0.00 O ATOM 287 O5' DT A 10 6.992 4.251 3.080 1.00 0.00 O ATOM 288 C5' DT A 10 7.502 3.130 2.358 1.00 0.00 C ATOM 289 C4' DT A 10 7.304 3.328 0.873 1.00 0.00 C ATOM 290 O4' DT A 10 5.886 3.287 0.580 1.00 0.00 O ATOM 291 C3' DT A 10 7.799 4.667 0.328 1.00 0.00 C ATOM 292 O3' DT A 10 8.276 4.507 -1.013 1.00 0.00 O ATOM 293 C2' DT A 10 6.552 5.530 0.362 1.00 0.00 C ATOM 294 C1' DT A 10 5.467 4.523 0.021 1.00 0.00 C ATOM 295 N1 DT A 10 4.132 4.838 0.568 1.00 0.00 N ATOM 296 C2 DT A 10 3.054 4.780 -0.287 1.00 0.00 C ATOM 297 O2 DT A 10 3.153 4.491 -1.468 1.00 0.00 O ATOM 298 N3 DT A 10 1.851 5.078 0.292 1.00 0.00 N ATOM 299 C4 DT A 10 1.619 5.421 1.605 1.00 0.00 C ATOM 300 O4 DT A 10 0.472 5.652 1.980 1.00 0.00 O ATOM 301 C5 DT A 10 2.792 5.470 2.447 1.00 0.00 C ATOM 302 C7 DT A 10 2.638 5.878 3.879 1.00 0.00 C ATOM 303 C6 DT A 10 3.980 5.175 1.897 1.00 0.00 C ATOM 0 H5' DT A 10 6.996 2.220 2.681 1.00 0.00 H new ATOM 0 H5'' DT A 10 8.562 3.000 2.576 1.00 0.00 H new ATOM 0 H4' DT A 10 7.884 2.534 0.404 1.00 0.00 H new ATOM 0 H3' DT A 10 8.626 5.093 0.895 1.00 0.00 H new ATOM 0 H2' DT A 10 6.396 5.984 1.341 1.00 0.00 H new ATOM 0 H2'' DT A 10 6.598 6.343 -0.363 1.00 0.00 H new ATOM 0 H1' DT A 10 5.352 4.517 -1.063 1.00 0.00 H new ATOM 0 H3 DT A 10 1.034 5.042 -0.318 1.00 0.00 H new ATOM 0 H71 DT A 10 1.799 6.567 3.973 1.00 0.00 H new ATOM 0 H72 DT A 10 2.452 4.995 4.491 1.00 0.00 H new ATOM 0 H73 DT A 10 3.550 6.369 4.218 1.00 0.00 H new ATOM 0 H6 DT A 10 4.859 5.203 2.524 1.00 0.00 H new ATOM 316 P DA A 11 9.034 5.721 -1.746 1.00 0.00 P ATOM 317 OP1 DA A 11 10.350 5.204 -2.202 1.00 0.00 O ATOM 318 OP2 DA A 11 8.982 6.921 -0.872 1.00 0.00 O ATOM 319 O5' DA A 11 8.143 6.006 -3.035 1.00 0.00 O ATOM 320 C5' DA A 11 7.834 4.962 -3.961 1.00 0.00 C ATOM 321 C4' DA A 11 7.095 5.520 -5.155 1.00 0.00 C ATOM 322 O4' DA A 11 5.703 5.704 -4.802 1.00 0.00 O ATOM 323 C3' DA A 11 7.576 6.886 -5.640 1.00 0.00 C ATOM 324 O3' DA A 11 7.370 7.030 -7.047 1.00 0.00 O ATOM 325 C2' DA A 11 6.695 7.853 -4.870 1.00 0.00 C ATOM 326 C1' DA A 11 5.387 7.087 -4.720 1.00 0.00 C ATOM 327 N9 DA A 11 4.701 7.311 -3.447 1.00 0.00 N ATOM 328 C8 DA A 11 5.265 7.423 -2.201 1.00 0.00 C ATOM 329 N7 DA A 11 4.395 7.617 -1.241 1.00 0.00 N ATOM 330 C5 DA A 11 3.173 7.636 -1.899 1.00 0.00 C ATOM 331 C6 DA A 11 1.855 7.806 -1.442 1.00 0.00 C ATOM 332 N6 DA A 11 1.535 7.995 -0.161 1.00 0.00 N ATOM 333 N1 DA A 11 0.863 7.774 -2.358 1.00 0.00 N ATOM 334 C2 DA A 11 1.184 7.584 -3.645 1.00 0.00 C ATOM 335 N3 DA A 11 2.385 7.413 -4.196 1.00 0.00 N ATOM 336 C4 DA A 11 3.347 7.450 -3.259 1.00 0.00 C ATOM 0 H5' DA A 11 7.226 4.201 -3.472 1.00 0.00 H new ATOM 0 H5'' DA A 11 8.752 4.474 -4.289 1.00 0.00 H new ATOM 0 H4' DA A 11 7.270 4.796 -5.951 1.00 0.00 H new ATOM 0 H3' DA A 11 8.642 7.047 -5.476 1.00 0.00 H new ATOM 0 H2' DA A 11 7.126 8.107 -3.902 1.00 0.00 H new ATOM 0 H2'' DA A 11 6.554 8.788 -5.412 1.00 0.00 H new ATOM 0 HO3' DA A 11 7.684 7.913 -7.335 1.00 0.00 H new ATOM 0 H1' DA A 11 4.715 7.435 -5.504 1.00 0.00 H new ATOM 0 H8 DA A 11 6.329 7.357 -2.028 1.00 0.00 H new ATOM 0 H61 DA A 11 0.558 8.112 0.109 1.00 0.00 H new ATOM 0 H62 DA A 11 2.267 8.022 0.549 1.00 0.00 H new ATOM 0 H2 DA A 11 0.352 7.567 -4.333 1.00 0.00 H new TER 349 DA A 11