USER MOD reduce.3.24.130724 H: found=0, std=0, add=180, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 180 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 4 DT C7 :methyl -30:sc= -2.96! (180deg=-5.37!) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.818 (180deg=-0.231) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= -2.58! (180deg=-5.38!) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.608 (180deg=-0.399) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 5.740 3.028 -10.033 1.00 0.00 P ATOM 2 OP1 DC A 1 5.028 2.565 -11.245 1.00 0.00 O ATOM 3 OP2 DC A 1 6.310 4.393 -9.994 1.00 0.00 O ATOM 4 O5' DC A 1 6.921 1.983 -9.694 1.00 0.00 O ATOM 5 C5' DC A 1 6.858 0.612 -10.036 1.00 0.00 C ATOM 6 C4' DC A 1 8.240 -0.024 -9.824 1.00 0.00 C ATOM 7 O4' DC A 1 9.208 0.769 -10.489 1.00 0.00 O ATOM 8 C3' DC A 1 8.642 -0.129 -8.346 1.00 0.00 C ATOM 9 O3' DC A 1 9.261 -1.372 -8.067 1.00 0.00 O ATOM 10 C2' DC A 1 9.716 0.930 -8.161 1.00 0.00 C ATOM 11 C1' DC A 1 10.224 1.163 -9.587 1.00 0.00 C ATOM 12 N1 DC A 1 10.565 2.587 -9.849 1.00 0.00 N ATOM 13 C2 DC A 1 11.738 2.887 -10.547 1.00 0.00 C ATOM 14 O2 DC A 1 12.529 2.005 -10.873 1.00 0.00 O ATOM 15 N3 DC A 1 11.995 4.187 -10.866 1.00 0.00 N ATOM 16 C4 DC A 1 11.138 5.160 -10.534 1.00 0.00 C ATOM 17 N4 DC A 1 11.436 6.414 -10.882 1.00 0.00 N ATOM 18 C5 DC A 1 9.921 4.879 -9.833 1.00 0.00 C ATOM 19 C6 DC A 1 9.680 3.586 -9.520 1.00 0.00 C ATOM 0 H5' DC A 1 6.547 0.498 -11.074 1.00 0.00 H new ATOM 0 H5'' DC A 1 6.113 0.105 -9.422 1.00 0.00 H new ATOM 0 H4' DC A 1 8.189 -1.038 -10.222 1.00 0.00 H new ATOM 0 H3' DC A 1 7.766 -0.017 -7.707 1.00 0.00 H new ATOM 0 H2' DC A 1 9.311 1.842 -7.723 1.00 0.00 H new ATOM 0 H2'' DC A 1 10.512 0.586 -7.501 1.00 0.00 H new ATOM 0 H1' DC A 1 11.135 0.579 -9.717 1.00 0.00 H new ATOM 0 H41 DC A 1 10.800 7.175 -10.642 1.00 0.00 H new ATOM 0 H42 DC A 1 12.299 6.611 -11.388 1.00 0.00 H new ATOM 0 H5 DC A 1 9.228 5.663 -9.567 1.00 0.00 H new ATOM 0 H6 DC A 1 8.769 3.332 -8.998 1.00 0.00 H new ATOM 31 P DC A 2 8.433 -2.699 -7.676 1.00 0.00 P ATOM 32 OP1 DC A 2 9.381 -3.836 -7.666 1.00 0.00 O ATOM 33 OP2 DC A 2 7.220 -2.761 -8.521 1.00 0.00 O ATOM 34 O5' DC A 2 7.968 -2.430 -6.156 1.00 0.00 O ATOM 35 C5' DC A 2 8.801 -1.779 -5.219 1.00 0.00 C ATOM 36 C4' DC A 2 8.174 -1.659 -3.821 1.00 0.00 C ATOM 37 O4' DC A 2 7.078 -0.785 -3.686 1.00 0.00 O ATOM 38 C3' DC A 2 7.875 -2.966 -3.085 1.00 0.00 C ATOM 39 O3' DC A 2 8.500 -2.902 -1.811 1.00 0.00 O ATOM 40 C2' DC A 2 6.358 -2.937 -3.008 1.00 0.00 C ATOM 41 C1' DC A 2 6.025 -1.447 -3.008 1.00 0.00 C ATOM 42 N1 DC A 2 4.835 -1.220 -3.831 1.00 0.00 N ATOM 43 C2 DC A 2 3.713 -0.644 -3.268 1.00 0.00 C ATOM 44 O2 DC A 2 3.647 -0.478 -2.059 1.00 0.00 O ATOM 45 N3 DC A 2 2.698 -0.267 -4.088 1.00 0.00 N ATOM 46 C4 DC A 2 2.771 -0.488 -5.405 1.00 0.00 C ATOM 47 N4 DC A 2 1.791 0.002 -6.162 1.00 0.00 N ATOM 48 C5 DC A 2 3.931 -1.094 -6.006 1.00 0.00 C ATOM 49 C6 DC A 2 4.939 -1.421 -5.168 1.00 0.00 C ATOM 0 H5' DC A 2 9.040 -0.782 -5.588 1.00 0.00 H new ATOM 0 H5'' DC A 2 9.742 -2.324 -5.141 1.00 0.00 H new ATOM 0 H4' DC A 2 9.023 -1.191 -3.322 1.00 0.00 H new ATOM 0 H3' DC A 2 8.237 -3.883 -3.550 1.00 0.00 H new ATOM 0 H2' DC A 2 5.904 -3.449 -3.856 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.993 -3.429 -2.106 1.00 0.00 H new ATOM 0 H1' DC A 2 5.879 -1.099 -1.985 1.00 0.00 H new ATOM 0 H41 DC A 2 1.806 -0.142 -7.172 1.00 0.00 H new ATOM 0 H42 DC A 2 1.026 0.522 -5.732 1.00 0.00 H new ATOM 0 H5 DC A 2 3.992 -1.277 -7.069 1.00 0.00 H new ATOM 0 H6 DC A 2 5.845 -1.851 -5.570 1.00 0.00 H new ATOM 61 P DG A 3 8.444 -4.105 -0.736 1.00 0.00 P ATOM 62 OP1 DG A 3 9.552 -3.914 0.225 1.00 0.00 O ATOM 63 OP2 DG A 3 8.326 -5.383 -1.474 1.00 0.00 O ATOM 64 O5' DG A 3 7.056 -3.844 0.038 1.00 0.00 O ATOM 65 C5' DG A 3 6.859 -2.719 0.877 1.00 0.00 C ATOM 66 C4' DG A 3 5.376 -2.626 1.256 1.00 0.00 C ATOM 67 O4' DG A 3 4.678 -2.480 0.044 1.00 0.00 O ATOM 68 C3' DG A 3 4.840 -3.899 1.913 1.00 0.00 C ATOM 69 O3' DG A 3 4.613 -3.731 3.298 1.00 0.00 O ATOM 70 C2' DG A 3 3.464 -4.018 1.277 1.00 0.00 C ATOM 71 C1' DG A 3 3.357 -2.865 0.294 1.00 0.00 C ATOM 72 N9 DG A 3 2.751 -3.269 -0.988 1.00 0.00 N ATOM 73 C8 DG A 3 3.303 -4.106 -1.914 1.00 0.00 C ATOM 74 N7 DG A 3 2.729 -4.063 -3.084 1.00 0.00 N ATOM 75 C5 DG A 3 1.665 -3.183 -2.895 1.00 0.00 C ATOM 76 C6 DG A 3 0.661 -2.730 -3.805 1.00 0.00 C ATOM 77 O6 DG A 3 0.584 -2.939 -5.012 1.00 0.00 O ATOM 78 N1 DG A 3 -0.323 -1.967 -3.183 1.00 0.00 N ATOM 79 C2 DG A 3 -0.298 -1.622 -1.851 1.00 0.00 C ATOM 80 N2 DG A 3 -1.367 -0.966 -1.407 1.00 0.00 N ATOM 81 N3 DG A 3 0.684 -1.973 -1.010 1.00 0.00 N ATOM 82 C4 DG A 3 1.629 -2.756 -1.589 1.00 0.00 C ATOM 0 H5' DG A 3 7.174 -1.809 0.365 1.00 0.00 H new ATOM 0 H5'' DG A 3 7.471 -2.808 1.774 1.00 0.00 H new ATOM 0 H4' DG A 3 5.251 -1.805 1.963 1.00 0.00 H new ATOM 0 H3' DG A 3 5.526 -4.736 1.786 1.00 0.00 H new ATOM 0 H2' DG A 3 3.350 -4.976 0.769 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.679 -3.962 2.031 1.00 0.00 H new ATOM 0 H1' DG A 3 2.729 -2.077 0.711 1.00 0.00 H new ATOM 0 H8 DG A 3 4.143 -4.749 -1.696 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.109 -1.645 -3.748 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.419 -0.678 -0.430 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.134 -0.751 -2.044 1.00 0.00 H new ATOM 94 P DT A 4 5.608 -4.367 4.393 1.00 0.00 P ATOM 95 OP1 DT A 4 6.800 -3.501 4.519 1.00 0.00 O ATOM 96 OP2 DT A 4 5.765 -5.808 4.096 1.00 0.00 O ATOM 97 O5' DT A 4 4.718 -4.234 5.724 1.00 0.00 O ATOM 98 C5' DT A 4 4.602 -3.006 6.413 1.00 0.00 C ATOM 99 C4' DT A 4 3.341 -3.009 7.281 1.00 0.00 C ATOM 100 O4' DT A 4 2.208 -2.976 6.428 1.00 0.00 O ATOM 101 C3' DT A 4 3.217 -4.270 8.151 1.00 0.00 C ATOM 102 O3' DT A 4 2.717 -3.953 9.438 1.00 0.00 O ATOM 103 C2' DT A 4 2.138 -5.055 7.424 1.00 0.00 C ATOM 104 C1' DT A 4 1.275 -3.914 6.916 1.00 0.00 C ATOM 105 N1 DT A 4 0.351 -4.411 5.879 1.00 0.00 N ATOM 106 C2 DT A 4 -0.937 -4.779 6.261 1.00 0.00 C ATOM 107 O2 DT A 4 -1.347 -4.699 7.416 1.00 0.00 O ATOM 108 N3 DT A 4 -1.761 -5.256 5.255 1.00 0.00 N ATOM 109 C4 DT A 4 -1.404 -5.414 3.926 1.00 0.00 C ATOM 110 O4 DT A 4 -2.237 -5.814 3.117 1.00 0.00 O ATOM 111 C5 DT A 4 -0.022 -5.068 3.627 1.00 0.00 C ATOM 112 C7 DT A 4 0.486 -5.207 2.210 1.00 0.00 C ATOM 113 C6 DT A 4 0.798 -4.582 4.596 1.00 0.00 C ATOM 0 H5' DT A 4 4.561 -2.182 5.700 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.482 -2.845 7.036 1.00 0.00 H new ATOM 0 H4' DT A 4 3.402 -2.141 7.938 1.00 0.00 H new ATOM 0 H3' DT A 4 4.170 -4.782 8.283 1.00 0.00 H new ATOM 0 H2' DT A 4 2.540 -5.665 6.615 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.593 -5.726 8.088 1.00 0.00 H new ATOM 0 H1' DT A 4 0.634 -3.465 7.674 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.713 -5.513 5.515 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.050 -6.013 1.709 1.00 0.00 H new ATOM 0 H72 DT A 4 0.324 -4.273 1.672 1.00 0.00 H new ATOM 0 H73 DT A 4 1.552 -5.436 2.226 1.00 0.00 H new ATOM 0 H6 DT A 4 1.818 -4.327 4.350 1.00 0.00 H new ATOM 126 P DC A 5 3.677 -3.605 10.686 1.00 0.00 P ATOM 127 OP1 DC A 5 4.497 -4.799 10.986 1.00 0.00 O ATOM 128 OP2 DC A 5 2.825 -3.022 11.746 1.00 0.00 O ATOM 129 O5' DC A 5 4.645 -2.442 10.123 1.00 0.00 O ATOM 130 C5' DC A 5 5.366 -1.583 10.990 1.00 0.00 C ATOM 131 C4' DC A 5 6.882 -1.745 10.816 1.00 0.00 C ATOM 132 O4' DC A 5 7.248 -3.067 11.162 1.00 0.00 O ATOM 133 C3' DC A 5 7.360 -1.507 9.378 1.00 0.00 C ATOM 134 O3' DC A 5 8.275 -0.428 9.313 1.00 0.00 O ATOM 135 C2' DC A 5 8.146 -2.764 9.024 1.00 0.00 C ATOM 136 C1' DC A 5 8.357 -3.443 10.376 1.00 0.00 C ATOM 137 N1 DC A 5 8.369 -4.920 10.226 1.00 0.00 N ATOM 138 C2 DC A 5 9.484 -5.654 10.633 1.00 0.00 C ATOM 139 O2 DC A 5 10.477 -5.099 11.100 1.00 0.00 O ATOM 140 N3 DC A 5 9.451 -7.011 10.501 1.00 0.00 N ATOM 141 C4 DC A 5 8.376 -7.628 9.992 1.00 0.00 C ATOM 142 N4 DC A 5 8.398 -8.957 9.886 1.00 0.00 N ATOM 143 C5 DC A 5 7.223 -6.893 9.562 1.00 0.00 C ATOM 144 C6 DC A 5 7.270 -5.548 9.702 1.00 0.00 C ATOM 0 H5' DC A 5 5.093 -1.796 12.024 1.00 0.00 H new ATOM 0 H5'' DC A 5 5.085 -0.548 10.793 1.00 0.00 H new ATOM 0 H4' DC A 5 7.346 -0.997 11.459 1.00 0.00 H new ATOM 0 H3' DC A 5 6.516 -1.291 8.723 1.00 0.00 H new ATOM 0 H2' DC A 5 7.593 -3.403 8.336 1.00 0.00 H new ATOM 0 H2'' DC A 5 9.094 -2.523 8.543 1.00 0.00 H new ATOM 0 H1' DC A 5 9.308 -3.149 10.821 1.00 0.00 H new ATOM 0 H41 DC A 5 7.593 -9.451 9.502 1.00 0.00 H new ATOM 0 H42 DC A 5 9.220 -9.479 10.189 1.00 0.00 H new ATOM 0 H5 DC A 5 6.358 -7.389 9.146 1.00 0.00 H new ATOM 0 H6 DC A 5 6.421 -4.956 9.393 1.00 0.00 H new ATOM 156 P DC A 6 7.811 1.064 8.919 1.00 0.00 P ATOM 157 OP1 DC A 6 8.998 1.943 8.997 1.00 0.00 O ATOM 158 OP2 DC A 6 6.597 1.397 9.695 1.00 0.00 O ATOM 159 O5' DC A 6 7.396 0.918 7.366 1.00 0.00 O ATOM 160 C5' DC A 6 8.174 0.153 6.468 1.00 0.00 C ATOM 161 C4' DC A 6 7.685 0.203 5.016 1.00 0.00 C ATOM 162 O4' DC A 6 6.466 -0.443 4.729 1.00 0.00 O ATOM 163 C3' DC A 6 7.725 1.567 4.327 1.00 0.00 C ATOM 164 O3' DC A 6 8.504 1.424 3.148 1.00 0.00 O ATOM 165 C2' DC A 6 6.252 1.816 4.055 1.00 0.00 C ATOM 166 C1' DC A 6 5.652 0.416 3.954 1.00 0.00 C ATOM 167 N1 DC A 6 4.347 0.395 4.614 1.00 0.00 N ATOM 168 C2 DC A 6 3.221 0.056 3.891 1.00 0.00 C ATOM 169 O2 DC A 6 3.279 -0.063 2.675 1.00 0.00 O ATOM 170 N3 DC A 6 2.055 -0.144 4.559 1.00 0.00 N ATOM 171 C4 DC A 6 1.998 0.025 5.885 1.00 0.00 C ATOM 172 N4 DC A 6 0.856 -0.289 6.491 1.00 0.00 N ATOM 173 C5 DC A 6 3.159 0.396 6.651 1.00 0.00 C ATOM 174 C6 DC A 6 4.314 0.548 5.962 1.00 0.00 C ATOM 0 H5' DC A 6 8.180 -0.884 6.802 1.00 0.00 H new ATOM 0 H5'' DC A 6 9.205 0.506 6.505 1.00 0.00 H new ATOM 0 H4' DC A 6 8.473 -0.405 4.572 1.00 0.00 H new ATOM 0 H3' DC A 6 8.171 2.392 4.883 1.00 0.00 H new ATOM 0 H2' DC A 6 5.790 2.391 4.857 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.106 2.380 3.134 1.00 0.00 H new ATOM 0 H1' DC A 6 5.577 0.125 2.906 1.00 0.00 H new ATOM 0 H41 DC A 6 0.767 -0.176 7.501 1.00 0.00 H new ATOM 0 H42 DC A 6 0.070 -0.642 5.946 1.00 0.00 H new ATOM 0 H5 DC A 6 3.111 0.545 7.720 1.00 0.00 H new ATOM 0 H6 DC A 6 5.222 0.794 6.492 1.00 0.00 H new ATOM 186 P DG A 7 8.819 2.644 2.142 1.00 0.00 P ATOM 187 OP1 DG A 7 10.036 2.305 1.371 1.00 0.00 O ATOM 188 OP2 DG A 7 8.764 3.909 2.910 1.00 0.00 O ATOM 189 O5' DG A 7 7.560 2.609 1.142 1.00 0.00 O ATOM 190 C5' DG A 7 7.331 1.524 0.257 1.00 0.00 C ATOM 191 C4' DG A 7 5.934 1.679 -0.354 1.00 0.00 C ATOM 192 O4' DG A 7 5.047 1.683 0.736 1.00 0.00 O ATOM 193 C3' DG A 7 5.749 3.017 -1.073 1.00 0.00 C ATOM 194 O3' DG A 7 5.699 2.866 -2.476 1.00 0.00 O ATOM 195 C2' DG A 7 4.342 3.405 -0.647 1.00 0.00 C ATOM 196 C1' DG A 7 3.878 2.311 0.300 1.00 0.00 C ATOM 197 N9 DG A 7 3.185 2.848 1.483 1.00 0.00 N ATOM 198 C8 DG A 7 3.753 3.584 2.482 1.00 0.00 C ATOM 199 N7 DG A 7 3.032 3.664 3.565 1.00 0.00 N ATOM 200 C5 DG A 7 1.863 2.987 3.228 1.00 0.00 C ATOM 201 C6 DG A 7 0.690 2.729 3.997 1.00 0.00 C ATOM 202 O6 DG A 7 0.501 2.963 5.186 1.00 0.00 O ATOM 203 N1 DG A 7 -0.325 2.146 3.246 1.00 0.00 N ATOM 204 C2 DG A 7 -0.195 1.780 1.927 1.00 0.00 C ATOM 205 N2 DG A 7 -1.300 1.311 1.353 1.00 0.00 N ATOM 206 N3 DG A 7 0.933 1.939 1.222 1.00 0.00 N ATOM 207 C4 DG A 7 1.919 2.554 1.925 1.00 0.00 C ATOM 0 H5' DG A 7 7.407 0.577 0.791 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.088 1.509 -0.527 1.00 0.00 H new ATOM 0 H4' DG A 7 5.770 0.881 -1.078 1.00 0.00 H new ATOM 0 H3' DG A 7 6.554 3.713 -0.839 1.00 0.00 H new ATOM 0 H2' DG A 7 4.337 4.377 -0.154 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.680 3.482 -1.509 1.00 0.00 H new ATOM 0 H1' DG A 7 3.179 1.650 -0.212 1.00 0.00 H new ATOM 0 H8 DG A 7 4.718 4.060 2.384 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.222 1.980 3.702 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.283 1.019 0.376 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.164 1.244 1.890 1.00 0.00 H new ATOM 219 P DT A 8 6.953 3.254 -3.403 1.00 0.00 P ATOM 220 OP1 DT A 8 7.976 2.191 -3.300 1.00 0.00 O ATOM 221 OP2 DT A 8 7.315 4.663 -3.134 1.00 0.00 O ATOM 222 O5' DT A 8 6.269 3.184 -4.854 1.00 0.00 O ATOM 223 C5' DT A 8 5.998 1.945 -5.473 1.00 0.00 C ATOM 224 C4' DT A 8 4.890 2.104 -6.514 1.00 0.00 C ATOM 225 O4' DT A 8 3.661 2.355 -5.851 1.00 0.00 O ATOM 226 C3' DT A 8 5.129 3.272 -7.474 1.00 0.00 C ATOM 227 O3' DT A 8 4.751 2.866 -8.777 1.00 0.00 O ATOM 228 C2' DT A 8 4.142 4.314 -6.977 1.00 0.00 C ATOM 229 C1' DT A 8 3.009 3.409 -6.529 1.00 0.00 C ATOM 230 N1 DT A 8 2.069 4.153 -5.667 1.00 0.00 N ATOM 231 C2 DT A 8 0.932 4.709 -6.249 1.00 0.00 C ATOM 232 O2 DT A 8 0.687 4.642 -7.450 1.00 0.00 O ATOM 233 N3 DT A 8 0.062 5.359 -5.389 1.00 0.00 N ATOM 234 C4 DT A 8 0.237 5.509 -4.023 1.00 0.00 C ATOM 235 O4 DT A 8 -0.631 6.069 -3.358 1.00 0.00 O ATOM 236 C5 DT A 8 1.483 4.961 -3.509 1.00 0.00 C ATOM 237 C7 DT A 8 1.779 5.062 -2.028 1.00 0.00 C ATOM 238 C6 DT A 8 2.347 4.313 -4.337 1.00 0.00 C ATOM 0 H5' DT A 8 5.699 1.213 -4.722 1.00 0.00 H new ATOM 0 H5'' DT A 8 6.901 1.563 -5.949 1.00 0.00 H new ATOM 0 H4' DT A 8 4.874 1.179 -7.091 1.00 0.00 H new ATOM 0 H3' DT A 8 6.161 3.622 -7.507 1.00 0.00 H new ATOM 0 H2' DT A 8 4.544 4.914 -6.161 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.837 5.007 -7.761 1.00 0.00 H new ATOM 0 H1' DT A 8 2.399 3.031 -7.349 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.781 5.762 -5.797 1.00 0.00 H new ATOM 0 H71 DT A 8 1.305 5.956 -1.622 1.00 0.00 H new ATOM 0 H72 DT A 8 1.389 4.181 -1.518 1.00 0.00 H new ATOM 0 H73 DT A 8 2.857 5.122 -1.876 1.00 0.00 H new ATOM 0 H6 DT A 8 3.269 3.918 -3.937 1.00 0.00 H new TER 251 DT A 8 ATOM 252 P DC B 1 -4.778 -4.874 -9.476 1.00 0.00 P ATOM 253 OP1 DC B 1 -5.865 -5.875 -9.418 1.00 0.00 O ATOM 254 OP2 DC B 1 -3.917 -4.804 -10.678 1.00 0.00 O ATOM 255 O5' DC B 1 -5.415 -3.407 -9.233 1.00 0.00 O ATOM 256 C5' DC B 1 -6.057 -2.688 -10.276 1.00 0.00 C ATOM 257 C4' DC B 1 -7.569 -2.547 -10.054 1.00 0.00 C ATOM 258 O4' DC B 1 -8.167 -3.829 -9.995 1.00 0.00 O ATOM 259 C3' DC B 1 -7.927 -1.826 -8.748 1.00 0.00 C ATOM 260 O3' DC B 1 -8.650 -0.633 -8.996 1.00 0.00 O ATOM 261 C2' DC B 1 -8.887 -2.775 -8.044 1.00 0.00 C ATOM 262 C1' DC B 1 -9.293 -3.749 -9.147 1.00 0.00 C ATOM 263 N1 DC B 1 -9.587 -5.084 -8.573 1.00 0.00 N ATOM 264 C2 DC B 1 -10.853 -5.650 -8.730 1.00 0.00 C ATOM 265 O2 DC B 1 -11.735 -5.075 -9.362 1.00 0.00 O ATOM 266 N3 DC B 1 -11.093 -6.866 -8.160 1.00 0.00 N ATOM 267 C4 DC B 1 -10.142 -7.500 -7.463 1.00 0.00 C ATOM 268 N4 DC B 1 -10.438 -8.682 -6.918 1.00 0.00 N ATOM 269 C5 DC B 1 -8.835 -6.935 -7.287 1.00 0.00 C ATOM 270 C6 DC B 1 -8.613 -5.731 -7.863 1.00 0.00 C ATOM 0 H5' DC B 1 -5.879 -3.195 -11.224 1.00 0.00 H new ATOM 0 H5'' DC B 1 -5.612 -1.696 -10.356 1.00 0.00 H new ATOM 0 H4' DC B 1 -7.938 -1.956 -10.892 1.00 0.00 H new ATOM 0 H3' DC B 1 -7.026 -1.576 -8.188 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.406 -3.288 -7.211 1.00 0.00 H new ATOM 0 H2'' DC B 1 -9.749 -2.246 -7.637 1.00 0.00 H new ATOM 0 H1' DC B 1 -10.188 -3.419 -9.674 1.00 0.00 H new ATOM 0 H41 DC B 1 -9.733 -9.187 -6.382 1.00 0.00 H new ATOM 0 H42 DC B 1 -11.370 -9.080 -7.038 1.00 0.00 H new ATOM 0 H5 DC B 1 -8.068 -7.445 -6.723 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.642 -5.269 -7.760 1.00 0.00 H new ATOM 282 P DC B 2 -7.952 0.819 -8.937 1.00 0.00 P ATOM 283 OP1 DC B 2 -8.976 1.842 -9.249 1.00 0.00 O ATOM 284 OP2 DC B 2 -6.699 0.778 -9.720 1.00 0.00 O ATOM 285 O5' DC B 2 -7.566 0.998 -7.382 1.00 0.00 O ATOM 286 C5' DC B 2 -8.452 0.604 -6.353 1.00 0.00 C ATOM 287 C4' DC B 2 -7.902 0.824 -4.939 1.00 0.00 C ATOM 288 O4' DC B 2 -6.806 0.028 -4.559 1.00 0.00 O ATOM 289 C3' DC B 2 -7.667 2.267 -4.494 1.00 0.00 C ATOM 290 O3' DC B 2 -8.425 2.463 -3.310 1.00 0.00 O ATOM 291 C2' DC B 2 -6.162 2.288 -4.291 1.00 0.00 C ATOM 292 C1' DC B 2 -5.824 0.844 -3.950 1.00 0.00 C ATOM 293 N1 DC B 2 -4.565 0.485 -4.603 1.00 0.00 N ATOM 294 C2 DC B 2 -3.472 0.142 -3.834 1.00 0.00 C ATOM 295 O2 DC B 2 -3.496 0.311 -2.623 1.00 0.00 O ATOM 296 N3 DC B 2 -2.386 -0.385 -4.454 1.00 0.00 N ATOM 297 C4 DC B 2 -2.362 -0.515 -5.786 1.00 0.00 C ATOM 298 N4 DC B 2 -1.317 -1.143 -6.320 1.00 0.00 N ATOM 299 C5 DC B 2 -3.473 -0.111 -6.606 1.00 0.00 C ATOM 300 C6 DC B 2 -4.559 0.367 -5.956 1.00 0.00 C ATOM 0 H5' DC B 2 -8.692 -0.452 -6.478 1.00 0.00 H new ATOM 0 H5'' DC B 2 -9.385 1.157 -6.459 1.00 0.00 H new ATOM 0 H4' DC B 2 -8.774 0.467 -4.391 1.00 0.00 H new ATOM 0 H3' DC B 2 -7.972 3.063 -5.174 1.00 0.00 H new ATOM 0 H2' DC B 2 -5.641 2.620 -5.189 1.00 0.00 H new ATOM 0 H2'' DC B 2 -5.876 2.967 -3.488 1.00 0.00 H new ATOM 0 H1' DC B 2 -5.769 0.720 -2.869 1.00 0.00 H new ATOM 0 H41 DC B 2 -1.257 -1.265 -7.331 1.00 0.00 H new ATOM 0 H42 DC B 2 -0.576 -1.502 -5.718 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.442 -0.185 -7.683 1.00 0.00 H new ATOM 0 H6 DC B 2 -5.432 0.659 -6.520 1.00 0.00 H new ATOM 312 P DG B 3 -8.419 3.841 -2.478 1.00 0.00 P ATOM 313 OP1 DG B 3 -9.581 3.856 -1.560 1.00 0.00 O ATOM 314 OP2 DG B 3 -8.210 4.958 -3.423 1.00 0.00 O ATOM 315 O5' DG B 3 -7.101 3.679 -1.578 1.00 0.00 O ATOM 316 C5' DG B 3 -6.967 2.642 -0.622 1.00 0.00 C ATOM 317 C4' DG B 3 -5.584 2.749 0.021 1.00 0.00 C ATOM 318 O4' DG B 3 -4.647 2.449 -0.980 1.00 0.00 O ATOM 319 C3' DG B 3 -5.285 4.179 0.481 1.00 0.00 C ATOM 320 O3' DG B 3 -5.272 4.267 1.884 1.00 0.00 O ATOM 321 C2' DG B 3 -3.863 4.396 0.012 1.00 0.00 C ATOM 322 C1' DG B 3 -3.445 3.087 -0.639 1.00 0.00 C ATOM 323 N9 DG B 3 -2.711 3.278 -1.901 1.00 0.00 N ATOM 324 C8 DG B 3 -3.213 3.817 -3.050 1.00 0.00 C ATOM 325 N7 DG B 3 -2.531 3.530 -4.124 1.00 0.00 N ATOM 326 C5 DG B 3 -1.460 2.784 -3.638 1.00 0.00 C ATOM 327 C6 DG B 3 -0.385 2.141 -4.328 1.00 0.00 C ATOM 328 O6 DG B 3 -0.224 2.026 -5.538 1.00 0.00 O ATOM 329 N1 DG B 3 0.552 1.592 -3.459 1.00 0.00 N ATOM 330 C2 DG B 3 0.412 1.580 -2.096 1.00 0.00 C ATOM 331 N2 DG B 3 1.419 1.018 -1.446 1.00 0.00 N ATOM 332 N3 DG B 3 -0.636 2.092 -1.439 1.00 0.00 N ATOM 333 C4 DG B 3 -1.529 2.688 -2.267 1.00 0.00 C ATOM 0 H5' DG B 3 -7.088 1.669 -1.099 1.00 0.00 H new ATOM 0 H5'' DG B 3 -7.745 2.724 0.137 1.00 0.00 H new ATOM 0 H4' DG B 3 -5.541 2.079 0.880 1.00 0.00 H new ATOM 0 H3' DG B 3 -6.021 4.889 0.103 1.00 0.00 H new ATOM 0 H2' DG B 3 -3.805 5.222 -0.696 1.00 0.00 H new ATOM 0 H2'' DG B 3 -3.208 4.646 0.847 1.00 0.00 H new ATOM 0 H1' DG B 3 -2.799 2.540 0.047 1.00 0.00 H new ATOM 0 H8 DG B 3 -4.102 4.431 -3.068 1.00 0.00 H new ATOM 0 H1 DG B 3 1.392 1.174 -3.859 1.00 0.00 H new ATOM 0 H21 DG B 3 1.402 0.964 -0.428 1.00 0.00 H new ATOM 0 H22 DG B 3 2.212 0.639 -1.964 1.00 0.00 H new ATOM 345 P DT B 4 -6.486 4.944 2.682 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.607 3.984 2.762 1.00 0.00 O ATOM 347 OP2 DT B 4 -6.720 6.293 2.124 1.00 0.00 O ATOM 348 O5' DT B 4 -5.781 5.097 4.113 1.00 0.00 O ATOM 349 C5' DT B 4 -5.451 3.970 4.899 1.00 0.00 C ATOM 350 C4' DT B 4 -4.229 4.257 5.777 1.00 0.00 C ATOM 351 O4' DT B 4 -3.035 4.145 5.017 1.00 0.00 O ATOM 352 C3' DT B 4 -4.233 5.666 6.380 1.00 0.00 C ATOM 353 O3' DT B 4 -3.941 5.573 7.763 1.00 0.00 O ATOM 354 C2' DT B 4 -3.081 6.343 5.660 1.00 0.00 C ATOM 355 C1' DT B 4 -2.159 5.158 5.468 1.00 0.00 C ATOM 356 N1 DT B 4 -1.093 5.518 4.508 1.00 0.00 N ATOM 357 C2 DT B 4 0.098 6.025 5.021 1.00 0.00 C ATOM 358 O2 DT B 4 0.276 6.247 6.216 1.00 0.00 O ATOM 359 N3 DT B 4 1.097 6.280 4.101 1.00 0.00 N ATOM 360 C4 DT B 4 1.014 6.065 2.737 1.00 0.00 C ATOM 361 O4 DT B 4 1.986 6.317 2.029 1.00 0.00 O ATOM 362 C5 DT B 4 -0.269 5.553 2.273 1.00 0.00 C ATOM 363 C7 DT B 4 -0.381 5.132 0.814 1.00 0.00 C ATOM 364 C6 DT B 4 -1.279 5.325 3.164 1.00 0.00 C ATOM 0 H5' DT B 4 -5.247 3.117 4.252 1.00 0.00 H new ATOM 0 H5'' DT B 4 -6.300 3.698 5.527 1.00 0.00 H new ATOM 0 H4' DT B 4 -4.275 3.523 6.581 1.00 0.00 H new ATOM 0 H3' DT B 4 -5.181 6.194 6.274 1.00 0.00 H new ATOM 0 H2' DT B 4 -3.386 6.791 4.714 1.00 0.00 H new ATOM 0 H2'' DT B 4 -2.625 7.134 6.255 1.00 0.00 H new ATOM 0 H1' DT B 4 -1.621 4.831 6.358 1.00 0.00 H new ATOM 0 H3 DT B 4 1.973 6.660 4.459 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.115 4.331 0.722 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.697 5.984 0.213 1.00 0.00 H new ATOM 0 H73 DT B 4 0.588 4.778 0.462 1.00 0.00 H new ATOM 0 H6 DT B 4 -2.239 4.987 2.804 1.00 0.00 H new ATOM 377 P DC B 5 -4.887 6.251 8.870 1.00 0.00 P ATOM 378 OP1 DC B 5 -5.173 7.638 8.438 1.00 0.00 O ATOM 379 OP2 DC B 5 -4.288 6.008 10.200 1.00 0.00 O ATOM 380 O5' DC B 5 -6.255 5.402 8.751 1.00 0.00 O ATOM 381 C5' DC B 5 -6.515 4.244 9.522 1.00 0.00 C ATOM 382 C4' DC B 5 -8.008 3.897 9.427 1.00 0.00 C ATOM 383 O4' DC B 5 -8.760 5.063 9.718 1.00 0.00 O ATOM 384 C3' DC B 5 -8.432 3.395 8.040 1.00 0.00 C ATOM 385 O3' DC B 5 -9.297 2.278 8.138 1.00 0.00 O ATOM 386 C2' DC B 5 -9.262 4.523 7.453 1.00 0.00 C ATOM 387 C1' DC B 5 -9.700 5.308 8.690 1.00 0.00 C ATOM 388 N1 DC B 5 -9.754 6.771 8.425 1.00 0.00 N ATOM 389 C2 DC B 5 -10.886 7.495 8.805 1.00 0.00 C ATOM 390 O2 DC B 5 -11.858 6.940 9.313 1.00 0.00 O ATOM 391 N3 DC B 5 -10.896 8.843 8.600 1.00 0.00 N ATOM 392 C4 DC B 5 -9.843 9.466 8.058 1.00 0.00 C ATOM 393 N4 DC B 5 -9.908 10.787 7.881 1.00 0.00 N ATOM 394 C5 DC B 5 -8.664 8.748 7.671 1.00 0.00 C ATOM 395 C6 DC B 5 -8.669 7.411 7.878 1.00 0.00 C ATOM 0 H5' DC B 5 -6.235 4.414 10.561 1.00 0.00 H new ATOM 0 H5'' DC B 5 -5.912 3.410 9.162 1.00 0.00 H new ATOM 0 H4' DC B 5 -8.193 3.092 10.138 1.00 0.00 H new ATOM 0 H3' DC B 5 -7.555 3.115 7.456 1.00 0.00 H new ATOM 0 H2' DC B 5 -8.679 5.140 6.769 1.00 0.00 H new ATOM 0 H2'' DC B 5 -10.116 4.145 6.891 1.00 0.00 H new ATOM 0 H1' DC B 5 -10.701 4.983 8.975 1.00 0.00 H new ATOM 0 H41 DC B 5 -9.119 11.286 7.470 1.00 0.00 H new ATOM 0 H42 DC B 5 -10.747 11.298 8.157 1.00 0.00 H new ATOM 0 H5 DC B 5 -7.813 9.250 7.235 1.00 0.00 H new ATOM 0 H6 DC B 5 -7.798 6.833 7.606 1.00 0.00 H new ATOM 407 P DC B 6 -8.764 0.758 8.128 1.00 0.00 P ATOM 408 OP1 DC B 6 -9.918 -0.127 8.398 1.00 0.00 O ATOM 409 OP2 DC B 6 -7.561 0.681 8.984 1.00 0.00 O ATOM 410 O5' DC B 6 -8.307 0.526 6.597 1.00 0.00 O ATOM 411 C5' DC B 6 -9.034 1.052 5.506 1.00 0.00 C ATOM 412 C4' DC B 6 -8.411 0.745 4.135 1.00 0.00 C ATOM 413 O4' DC B 6 -7.154 1.320 3.851 1.00 0.00 O ATOM 414 C3' DC B 6 -8.415 -0.709 3.664 1.00 0.00 C ATOM 415 O3' DC B 6 -9.055 -0.728 2.396 1.00 0.00 O ATOM 416 C2' DC B 6 -6.930 -1.022 3.600 1.00 0.00 C ATOM 417 C1' DC B 6 -6.286 0.332 3.322 1.00 0.00 C ATOM 418 N1 DC B 6 -5.058 0.434 4.111 1.00 0.00 N ATOM 419 C2 DC B 6 -3.846 0.598 3.472 1.00 0.00 C ATOM 420 O2 DC B 6 -3.763 0.443 2.261 1.00 0.00 O ATOM 421 N3 DC B 6 -2.765 0.942 4.219 1.00 0.00 N ATOM 422 C4 DC B 6 -2.867 1.062 5.547 1.00 0.00 C ATOM 423 N4 DC B 6 -1.808 1.529 6.206 1.00 0.00 N ATOM 424 C5 DC B 6 -4.111 0.842 6.233 1.00 0.00 C ATOM 425 C6 DC B 6 -5.177 0.549 5.458 1.00 0.00 C ATOM 0 H5' DC B 6 -9.115 2.133 5.623 1.00 0.00 H new ATOM 0 H5'' DC B 6 -10.048 0.652 5.531 1.00 0.00 H new ATOM 0 H4' DC B 6 -9.157 1.277 3.544 1.00 0.00 H new ATOM 0 H3' DC B 6 -8.940 -1.435 4.285 1.00 0.00 H new ATOM 0 H2' DC B 6 -6.571 -1.452 4.535 1.00 0.00 H new ATOM 0 H2'' DC B 6 -6.706 -1.741 2.812 1.00 0.00 H new ATOM 0 H1' DC B 6 -6.096 0.450 2.255 1.00 0.00 H new ATOM 0 H41 DC B 6 -1.845 1.636 7.220 1.00 0.00 H new ATOM 0 H42 DC B 6 -0.960 1.780 5.697 1.00 0.00 H new ATOM 0 H5 DC B 6 -4.189 0.907 7.308 1.00 0.00 H new ATOM 0 H6 DC B 6 -6.143 0.403 5.919 1.00 0.00 H new ATOM 437 P DG B 7 -9.244 -2.065 1.520 1.00 0.00 P ATOM 438 OP1 DG B 7 -10.302 -1.809 0.517 1.00 0.00 O ATOM 439 OP2 DG B 7 -9.367 -3.215 2.442 1.00 0.00 O ATOM 440 O5' DG B 7 -7.836 -2.182 0.749 1.00 0.00 O ATOM 441 C5' DG B 7 -7.406 -1.211 -0.189 1.00 0.00 C ATOM 442 C4' DG B 7 -5.991 -1.567 -0.659 1.00 0.00 C ATOM 443 O4' DG B 7 -5.144 -1.486 0.455 1.00 0.00 O ATOM 444 C3' DG B 7 -5.913 -3.005 -1.170 1.00 0.00 C ATOM 445 O3' DG B 7 -5.734 -3.007 -2.568 1.00 0.00 O ATOM 446 C2' DG B 7 -4.644 -3.530 -0.536 1.00 0.00 C ATOM 447 C1' DG B 7 -4.058 -2.343 0.219 1.00 0.00 C ATOM 448 N9 DG B 7 -3.544 -2.687 1.556 1.00 0.00 N ATOM 449 C8 DG B 7 -4.295 -3.111 2.615 1.00 0.00 C ATOM 450 N7 DG B 7 -3.727 -2.945 3.778 1.00 0.00 N ATOM 451 C5 DG B 7 -2.479 -2.415 3.460 1.00 0.00 C ATOM 452 C6 DG B 7 -1.415 -1.968 4.305 1.00 0.00 C ATOM 453 O6 DG B 7 -1.404 -1.881 5.528 1.00 0.00 O ATOM 454 N1 DG B 7 -0.286 -1.589 3.585 1.00 0.00 N ATOM 455 C2 DG B 7 -0.233 -1.552 2.217 1.00 0.00 C ATOM 456 N2 DG B 7 0.936 -1.171 1.723 1.00 0.00 N ATOM 457 N3 DG B 7 -1.251 -1.877 1.411 1.00 0.00 N ATOM 458 C4 DG B 7 -2.339 -2.312 2.095 1.00 0.00 C ATOM 0 H5' DG B 7 -7.414 -0.220 0.264 1.00 0.00 H new ATOM 0 H5'' DG B 7 -8.088 -1.179 -1.038 1.00 0.00 H new ATOM 0 H4' DG B 7 -5.711 -0.885 -1.462 1.00 0.00 H new ATOM 0 H3' DG B 7 -6.807 -3.584 -0.937 1.00 0.00 H new ATOM 0 H2' DG B 7 -4.854 -4.361 0.137 1.00 0.00 H new ATOM 0 H2'' DG B 7 -3.950 -3.899 -1.291 1.00 0.00 H new ATOM 0 H1' DG B 7 -3.236 -1.935 -0.370 1.00 0.00 H new ATOM 0 H8 DG B 7 -5.276 -3.547 2.500 1.00 0.00 H new ATOM 0 H1 DG B 7 0.550 -1.324 4.106 1.00 0.00 H new ATOM 0 H21 DG B 7 1.069 -1.114 0.713 1.00 0.00 H new ATOM 0 H22 DG B 7 1.703 -0.935 2.352 1.00 0.00 H new ATOM 470 P DT B 8 -6.781 -3.743 -3.540 1.00 0.00 P ATOM 471 OP1 DT B 8 -7.801 -2.769 -3.988 1.00 0.00 O ATOM 472 OP2 DT B 8 -7.190 -5.026 -2.929 1.00 0.00 O ATOM 473 O5' DT B 8 -5.798 -4.072 -4.757 1.00 0.00 O ATOM 474 C5' DT B 8 -5.329 -3.060 -5.618 1.00 0.00 C ATOM 475 C4' DT B 8 -4.084 -3.559 -6.349 1.00 0.00 C ATOM 476 O4' DT B 8 -2.993 -3.584 -5.440 1.00 0.00 O ATOM 477 C3' DT B 8 -4.268 -4.992 -6.874 1.00 0.00 C ATOM 478 O3' DT B 8 -3.808 -5.110 -8.207 1.00 0.00 O ATOM 479 C2' DT B 8 -3.360 -5.793 -5.958 1.00 0.00 C ATOM 480 C1' DT B 8 -2.276 -4.772 -5.692 1.00 0.00 C ATOM 481 N1 DT B 8 -1.441 -5.230 -4.564 1.00 0.00 N ATOM 482 C2 DT B 8 -0.292 -5.956 -4.868 1.00 0.00 C ATOM 483 O2 DT B 8 0.026 -6.267 -6.014 1.00 0.00 O ATOM 484 N3 DT B 8 0.494 -6.335 -3.797 1.00 0.00 N ATOM 485 C4 DT B 8 0.240 -6.044 -2.469 1.00 0.00 C ATOM 486 O4 DT B 8 1.028 -6.428 -1.609 1.00 0.00 O ATOM 487 C5 DT B 8 -0.985 -5.291 -2.230 1.00 0.00 C ATOM 488 C7 DT B 8 -1.238 -4.796 -0.815 1.00 0.00 C ATOM 489 C6 DT B 8 -1.793 -4.935 -3.271 1.00 0.00 C ATOM 0 H5' DT B 8 -5.095 -2.161 -5.048 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.103 -2.789 -6.336 1.00 0.00 H new ATOM 0 H4' DT B 8 -3.904 -2.886 -7.188 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.310 -5.313 -6.877 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.865 -6.110 -5.046 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.975 -6.693 -6.438 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.572 -4.620 -6.510 1.00 0.00 H new ATOM 0 H3 DT B 8 1.334 -6.876 -4.003 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.817 -3.873 -0.850 1.00 0.00 H new ATOM 0 H72 DT B 8 -1.793 -5.551 -0.259 1.00 0.00 H new ATOM 0 H73 DT B 8 -0.285 -4.608 -0.320 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.719 -4.416 -3.075 1.00 0.00 H new TER 502 DT B 8