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= -3.18! (180deg=-5.33!) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.747 (180deg=-0.235) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= -3.69! (180deg=-4.16!) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.707 (180deg=-0.505) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 5.859 2.687 -9.856 1.00 0.00 P ATOM 2 OP1 DC A 1 6.961 3.664 -9.985 1.00 0.00 O ATOM 3 OP2 DC A 1 5.072 2.315 -11.052 1.00 0.00 O ATOM 4 O5' DC A 1 6.439 1.332 -9.198 1.00 0.00 O ATOM 5 C5' DC A 1 7.115 0.355 -9.973 1.00 0.00 C ATOM 6 C4' DC A 1 8.595 0.244 -9.590 1.00 0.00 C ATOM 7 O4' DC A 1 9.241 1.474 -9.857 1.00 0.00 O ATOM 8 C3' DC A 1 8.810 -0.058 -8.100 1.00 0.00 C ATOM 9 O3' DC A 1 9.476 -1.294 -7.915 1.00 0.00 O ATOM 10 C2' DC A 1 9.775 1.022 -7.628 1.00 0.00 C ATOM 11 C1' DC A 1 10.294 1.627 -8.929 1.00 0.00 C ATOM 12 N1 DC A 1 10.595 3.071 -8.759 1.00 0.00 N ATOM 13 C2 DC A 1 11.875 3.553 -9.035 1.00 0.00 C ATOM 14 O2 DC A 1 12.777 2.799 -9.392 1.00 0.00 O ATOM 15 N3 DC A 1 12.109 4.889 -8.897 1.00 0.00 N ATOM 16 C4 DC A 1 11.136 5.722 -8.504 1.00 0.00 C ATOM 17 N4 DC A 1 11.422 7.020 -8.389 1.00 0.00 N ATOM 18 C5 DC A 1 9.816 5.248 -8.206 1.00 0.00 C ATOM 19 C6 DC A 1 9.599 3.921 -8.352 1.00 0.00 C ATOM 0 H5' DC A 1 7.032 0.609 -11.030 1.00 0.00 H new ATOM 0 H5'' DC A 1 6.632 -0.613 -9.839 1.00 0.00 H new ATOM 0 H4' DC A 1 9.002 -0.579 -10.177 1.00 0.00 H new ATOM 0 H3' DC A 1 7.855 -0.091 -7.575 1.00 0.00 H new ATOM 0 H2' DC A 1 9.273 1.767 -7.011 1.00 0.00 H new ATOM 0 H2'' DC A 1 10.584 0.604 -7.029 1.00 0.00 H new ATOM 0 H1' DC A 1 11.214 1.140 -9.252 1.00 0.00 H new ATOM 0 H41 DC A 1 10.700 7.677 -8.092 1.00 0.00 H new ATOM 0 H42 DC A 1 12.362 7.356 -8.598 1.00 0.00 H new ATOM 0 H5 DC A 1 9.034 5.918 -7.881 1.00 0.00 H new ATOM 0 H6 DC A 1 8.618 3.521 -8.143 1.00 0.00 H new ATOM 31 P DC A 2 8.679 -2.646 -7.547 1.00 0.00 P ATOM 32 OP1 DC A 2 9.670 -3.737 -7.424 1.00 0.00 O ATOM 33 OP2 DC A 2 7.541 -2.789 -8.480 1.00 0.00 O ATOM 34 O5' DC A 2 8.093 -2.336 -6.075 1.00 0.00 O ATOM 35 C5' DC A 2 8.850 -1.628 -5.116 1.00 0.00 C ATOM 36 C4' DC A 2 8.175 -1.506 -3.745 1.00 0.00 C ATOM 37 O4' DC A 2 7.036 -0.687 -3.641 1.00 0.00 O ATOM 38 C3' DC A 2 7.933 -2.804 -2.981 1.00 0.00 C ATOM 39 O3' DC A 2 8.546 -2.616 -1.715 1.00 0.00 O ATOM 40 C2' DC A 2 6.417 -2.862 -2.940 1.00 0.00 C ATOM 41 C1' DC A 2 6.013 -1.392 -2.963 1.00 0.00 C ATOM 42 N1 DC A 2 4.826 -1.214 -3.802 1.00 0.00 N ATOM 43 C2 DC A 2 3.685 -0.661 -3.259 1.00 0.00 C ATOM 44 O2 DC A 2 3.586 -0.526 -2.046 1.00 0.00 O ATOM 45 N3 DC A 2 2.687 -0.269 -4.095 1.00 0.00 N ATOM 46 C4 DC A 2 2.798 -0.460 -5.414 1.00 0.00 C ATOM 47 N4 DC A 2 1.837 0.042 -6.189 1.00 0.00 N ATOM 48 C5 DC A 2 3.971 -1.064 -5.994 1.00 0.00 C ATOM 49 C6 DC A 2 4.962 -1.405 -5.140 1.00 0.00 C ATOM 0 H5' DC A 2 9.054 -0.628 -5.498 1.00 0.00 H new ATOM 0 H5'' DC A 2 9.812 -2.124 -4.991 1.00 0.00 H new ATOM 0 H4' DC A 2 8.987 -0.970 -3.253 1.00 0.00 H new ATOM 0 H3' DC A 2 8.333 -3.731 -3.391 1.00 0.00 H new ATOM 0 H2' DC A 2 6.011 -3.405 -3.794 1.00 0.00 H new ATOM 0 H2'' DC A 2 6.057 -3.365 -2.042 1.00 0.00 H new ATOM 0 H1' DC A 2 5.838 -1.053 -1.942 1.00 0.00 H new ATOM 0 H41 DC A 2 1.882 -0.080 -7.201 1.00 0.00 H new ATOM 0 H42 DC A 2 1.057 0.548 -5.770 1.00 0.00 H new ATOM 0 H5 DC A 2 4.054 -1.236 -7.057 1.00 0.00 H new ATOM 0 H6 DC A 2 5.874 -1.835 -5.527 1.00 0.00 H new ATOM 61 P DG A 3 8.635 -3.752 -0.581 1.00 0.00 P ATOM 62 OP1 DG A 3 9.645 -3.303 0.405 1.00 0.00 O ATOM 63 OP2 DG A 3 8.772 -5.070 -1.238 1.00 0.00 O ATOM 64 O5' DG A 3 7.189 -3.660 0.108 1.00 0.00 O ATOM 65 C5' DG A 3 6.815 -2.532 0.876 1.00 0.00 C ATOM 66 C4' DG A 3 5.334 -2.609 1.249 1.00 0.00 C ATOM 67 O4' DG A 3 4.615 -2.479 0.048 1.00 0.00 O ATOM 68 C3' DG A 3 4.936 -3.959 1.846 1.00 0.00 C ATOM 69 O3' DG A 3 4.729 -3.874 3.239 1.00 0.00 O ATOM 70 C2' DG A 3 3.565 -4.169 1.221 1.00 0.00 C ATOM 71 C1' DG A 3 3.332 -2.981 0.298 1.00 0.00 C ATOM 72 N9 DG A 3 2.743 -3.364 -0.998 1.00 0.00 N ATOM 73 C8 DG A 3 3.332 -4.149 -1.945 1.00 0.00 C ATOM 74 N7 DG A 3 2.764 -4.099 -3.117 1.00 0.00 N ATOM 75 C5 DG A 3 1.677 -3.251 -2.916 1.00 0.00 C ATOM 76 C6 DG A 3 0.675 -2.799 -3.827 1.00 0.00 C ATOM 77 O6 DG A 3 0.610 -3.007 -5.034 1.00 0.00 O ATOM 78 N1 DG A 3 -0.316 -2.042 -3.208 1.00 0.00 N ATOM 79 C2 DG A 3 -0.302 -1.705 -1.875 1.00 0.00 C ATOM 80 N2 DG A 3 -1.364 -1.027 -1.442 1.00 0.00 N ATOM 81 N3 DG A 3 0.669 -2.072 -1.027 1.00 0.00 N ATOM 82 C4 DG A 3 1.623 -2.845 -1.604 1.00 0.00 C ATOM 0 H5' DG A 3 7.008 -1.620 0.312 1.00 0.00 H new ATOM 0 H5'' DG A 3 7.422 -2.482 1.780 1.00 0.00 H new ATOM 0 H4' DG A 3 5.128 -1.835 1.989 1.00 0.00 H new ATOM 0 H3' DG A 3 5.688 -4.728 1.668 1.00 0.00 H new ATOM 0 H2' DG A 3 3.530 -5.106 0.665 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.792 -4.224 1.988 1.00 0.00 H new ATOM 0 H1' DG A 3 2.641 -2.278 0.764 1.00 0.00 H new ATOM 0 H8 DG A 3 4.198 -4.762 -1.741 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.098 -1.718 -3.777 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.424 -0.743 -0.464 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.117 -0.792 -2.088 1.00 0.00 H new ATOM 94 P DT A 4 5.824 -4.440 4.270 1.00 0.00 P ATOM 95 OP1 DT A 4 6.994 -3.534 4.281 1.00 0.00 O ATOM 96 OP2 DT A 4 6.005 -5.885 4.010 1.00 0.00 O ATOM 97 O5' DT A 4 5.021 -4.276 5.648 1.00 0.00 O ATOM 98 C5' DT A 4 4.904 -3.020 6.281 1.00 0.00 C ATOM 99 C4' DT A 4 3.662 -2.996 7.168 1.00 0.00 C ATOM 100 O4' DT A 4 2.509 -2.994 6.340 1.00 0.00 O ATOM 101 C3' DT A 4 3.572 -4.230 8.072 1.00 0.00 C ATOM 102 O3' DT A 4 3.159 -3.834 9.368 1.00 0.00 O ATOM 103 C2' DT A 4 2.457 -5.034 7.419 1.00 0.00 C ATOM 104 C1' DT A 4 1.585 -3.907 6.890 1.00 0.00 C ATOM 105 N1 DT A 4 0.609 -4.415 5.901 1.00 0.00 N ATOM 106 C2 DT A 4 -0.678 -4.716 6.339 1.00 0.00 C ATOM 107 O2 DT A 4 -1.038 -4.595 7.507 1.00 0.00 O ATOM 108 N3 DT A 4 -1.562 -5.170 5.375 1.00 0.00 N ATOM 109 C4 DT A 4 -1.269 -5.363 4.036 1.00 0.00 C ATOM 110 O4 DT A 4 -2.154 -5.733 3.269 1.00 0.00 O ATOM 111 C5 DT A 4 0.114 -5.091 3.672 1.00 0.00 C ATOM 112 C7 DT A 4 0.542 -5.275 2.228 1.00 0.00 C ATOM 113 C6 DT A 4 0.995 -4.633 4.604 1.00 0.00 C ATOM 0 H5' DT A 4 4.841 -2.231 5.532 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.793 -2.821 6.880 1.00 0.00 H new ATOM 0 H4' DT A 4 3.724 -2.105 7.793 1.00 0.00 H new ATOM 0 H3' DT A 4 4.512 -4.772 8.173 1.00 0.00 H new ATOM 0 H2' DT A 4 2.824 -5.684 6.624 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.930 -5.668 8.132 1.00 0.00 H new ATOM 0 H1' DT A 4 0.971 -3.435 7.657 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.513 -5.381 5.678 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.060 -6.058 1.767 1.00 0.00 H new ATOM 0 H72 DT A 4 0.400 -4.341 1.685 1.00 0.00 H new ATOM 0 H73 DT A 4 1.594 -5.559 2.194 1.00 0.00 H new ATOM 0 H6 DT A 4 2.017 -4.438 4.316 1.00 0.00 H new ATOM 126 P DC A 5 3.996 -4.243 10.681 1.00 0.00 P ATOM 127 OP1 DC A 5 4.397 -5.662 10.552 1.00 0.00 O ATOM 128 OP2 DC A 5 3.231 -3.804 11.869 1.00 0.00 O ATOM 129 O5' DC A 5 5.324 -3.335 10.560 1.00 0.00 O ATOM 130 C5' DC A 5 5.396 -2.023 11.086 1.00 0.00 C ATOM 131 C4' DC A 5 6.831 -1.495 10.955 1.00 0.00 C ATOM 132 O4' DC A 5 7.719 -2.435 11.536 1.00 0.00 O ATOM 133 C3' DC A 5 7.255 -1.284 9.497 1.00 0.00 C ATOM 134 O3' DC A 5 7.829 0.001 9.322 1.00 0.00 O ATOM 135 C2' DC A 5 8.337 -2.321 9.252 1.00 0.00 C ATOM 136 C1' DC A 5 8.808 -2.667 10.664 1.00 0.00 C ATOM 137 N1 DC A 5 9.190 -4.100 10.747 1.00 0.00 N ATOM 138 C2 DC A 5 10.476 -4.450 11.161 1.00 0.00 C ATOM 139 O2 DC A 5 11.312 -3.593 11.442 1.00 0.00 O ATOM 140 N3 DC A 5 10.793 -5.773 11.249 1.00 0.00 N ATOM 141 C4 DC A 5 9.894 -6.718 10.949 1.00 0.00 C ATOM 142 N4 DC A 5 10.259 -7.998 11.051 1.00 0.00 N ATOM 143 C5 DC A 5 8.566 -6.384 10.521 1.00 0.00 C ATOM 144 C6 DC A 5 8.265 -5.067 10.439 1.00 0.00 C ATOM 0 H5' DC A 5 5.092 -2.023 12.133 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.707 -1.368 10.553 1.00 0.00 H new ATOM 0 H4' DC A 5 6.867 -0.530 11.461 1.00 0.00 H new ATOM 0 H3' DC A 5 6.404 -1.371 8.822 1.00 0.00 H new ATOM 0 H2' DC A 5 7.947 -3.195 8.731 1.00 0.00 H new ATOM 0 H2'' DC A 5 9.148 -1.922 8.643 1.00 0.00 H new ATOM 0 H1' DC A 5 9.674 -2.061 10.929 1.00 0.00 H new ATOM 0 H41 DC A 5 9.593 -8.738 10.828 1.00 0.00 H new ATOM 0 H42 DC A 5 11.204 -8.236 11.352 1.00 0.00 H new ATOM 0 H5 DC A 5 7.842 -7.147 10.276 1.00 0.00 H new ATOM 0 H6 DC A 5 7.275 -4.770 10.124 1.00 0.00 H new ATOM 156 P DC A 6 6.977 1.247 8.748 1.00 0.00 P ATOM 157 OP1 DC A 6 7.543 2.489 9.316 1.00 0.00 O ATOM 158 OP2 DC A 6 5.539 0.946 8.929 1.00 0.00 O ATOM 159 O5' DC A 6 7.308 1.231 7.162 1.00 0.00 O ATOM 160 C5' DC A 6 7.637 0.026 6.494 1.00 0.00 C ATOM 161 C4' DC A 6 7.530 0.075 4.963 1.00 0.00 C ATOM 162 O4' DC A 6 6.386 -0.561 4.431 1.00 0.00 O ATOM 163 C3' DC A 6 7.666 1.422 4.258 1.00 0.00 C ATOM 164 O3' DC A 6 8.428 1.167 3.087 1.00 0.00 O ATOM 165 C2' DC A 6 6.211 1.756 3.976 1.00 0.00 C ATOM 166 C1' DC A 6 5.559 0.389 3.795 1.00 0.00 C ATOM 167 N1 DC A 6 4.267 0.341 4.493 1.00 0.00 N ATOM 168 C2 DC A 6 3.122 0.031 3.784 1.00 0.00 C ATOM 169 O2 DC A 6 3.156 -0.042 2.563 1.00 0.00 O ATOM 170 N3 DC A 6 1.969 -0.192 4.470 1.00 0.00 N ATOM 171 C4 DC A 6 1.935 -0.056 5.801 1.00 0.00 C ATOM 172 N4 DC A 6 0.811 -0.389 6.435 1.00 0.00 N ATOM 173 C5 DC A 6 3.108 0.305 6.548 1.00 0.00 C ATOM 174 C6 DC A 6 4.251 0.463 5.845 1.00 0.00 C ATOM 0 H5' DC A 6 6.983 -0.765 6.862 1.00 0.00 H new ATOM 0 H5'' DC A 6 8.656 -0.252 6.762 1.00 0.00 H new ATOM 0 H4' DC A 6 8.439 -0.484 4.741 1.00 0.00 H new ATOM 0 H3' DC A 6 8.159 2.236 4.788 1.00 0.00 H new ATOM 0 H2' DC A 6 5.760 2.310 4.799 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.107 2.372 3.083 1.00 0.00 H new ATOM 0 H1' DC A 6 5.422 0.195 2.731 1.00 0.00 H new ATOM 0 H41 DC A 6 0.751 -0.298 7.449 1.00 0.00 H new ATOM 0 H42 DC A 6 0.011 -0.735 5.906 1.00 0.00 H new ATOM 0 H5 DC A 6 3.078 0.443 7.619 1.00 0.00 H new ATOM 0 H6 DC A 6 5.168 0.690 6.368 1.00 0.00 H new ATOM 186 P DG A 7 8.899 2.312 2.057 1.00 0.00 P ATOM 187 OP1 DG A 7 10.002 1.738 1.252 1.00 0.00 O ATOM 188 OP2 DG A 7 9.102 3.572 2.803 1.00 0.00 O ATOM 189 O5' DG A 7 7.619 2.476 1.098 1.00 0.00 O ATOM 190 C5' DG A 7 7.247 1.448 0.199 1.00 0.00 C ATOM 191 C4' DG A 7 5.873 1.735 -0.407 1.00 0.00 C ATOM 192 O4' DG A 7 4.963 1.749 0.665 1.00 0.00 O ATOM 193 C3' DG A 7 5.780 3.108 -1.075 1.00 0.00 C ATOM 194 O3' DG A 7 5.725 3.001 -2.482 1.00 0.00 O ATOM 195 C2' DG A 7 4.410 3.590 -0.630 1.00 0.00 C ATOM 196 C1' DG A 7 3.846 2.475 0.237 1.00 0.00 C ATOM 197 N9 DG A 7 3.159 2.968 1.444 1.00 0.00 N ATOM 198 C8 DG A 7 3.739 3.654 2.471 1.00 0.00 C ATOM 199 N7 DG A 7 3.028 3.680 3.565 1.00 0.00 N ATOM 200 C5 DG A 7 1.857 3.012 3.213 1.00 0.00 C ATOM 201 C6 DG A 7 0.694 2.705 3.985 1.00 0.00 C ATOM 202 O6 DG A 7 0.512 2.898 5.182 1.00 0.00 O ATOM 203 N1 DG A 7 -0.317 2.120 3.226 1.00 0.00 N ATOM 204 C2 DG A 7 -0.188 1.792 1.898 1.00 0.00 C ATOM 205 N2 DG A 7 -1.283 1.309 1.316 1.00 0.00 N ATOM 206 N3 DG A 7 0.928 2.006 1.186 1.00 0.00 N ATOM 207 C4 DG A 7 1.907 2.626 1.895 1.00 0.00 C ATOM 0 H5' DG A 7 7.228 0.491 0.720 1.00 0.00 H new ATOM 0 H5'' DG A 7 7.990 1.364 -0.594 1.00 0.00 H new ATOM 0 H4' DG A 7 5.673 0.979 -1.166 1.00 0.00 H new ATOM 0 H3' DG A 7 6.629 3.741 -0.818 1.00 0.00 H new ATOM 0 H2' DG A 7 4.485 4.522 -0.070 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.765 3.784 -1.487 1.00 0.00 H new ATOM 0 H1' DG A 7 3.116 1.905 -0.339 1.00 0.00 H new ATOM 0 H8 DG A 7 4.703 4.134 2.386 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.207 1.923 3.684 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.262 1.044 0.331 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.143 1.204 1.855 1.00 0.00 H new ATOM 219 P DT A 8 7.029 3.260 -3.389 1.00 0.00 P ATOM 220 OP1 DT A 8 7.952 2.113 -3.247 1.00 0.00 O ATOM 221 OP2 DT A 8 7.508 4.635 -3.128 1.00 0.00 O ATOM 222 O5' DT A 8 6.369 3.232 -4.853 1.00 0.00 O ATOM 223 C5' DT A 8 6.040 2.015 -5.493 1.00 0.00 C ATOM 224 C4' DT A 8 4.934 2.247 -6.525 1.00 0.00 C ATOM 225 O4' DT A 8 3.714 2.469 -5.835 1.00 0.00 O ATOM 226 C3' DT A 8 5.184 3.485 -7.406 1.00 0.00 C ATOM 227 O3' DT A 8 4.820 3.241 -8.754 1.00 0.00 O ATOM 228 C2' DT A 8 4.182 4.482 -6.850 1.00 0.00 C ATOM 229 C1' DT A 8 3.057 3.536 -6.477 1.00 0.00 C ATOM 230 N1 DT A 8 2.077 4.231 -5.622 1.00 0.00 N ATOM 231 C2 DT A 8 0.954 4.786 -6.231 1.00 0.00 C ATOM 232 O2 DT A 8 0.747 4.736 -7.440 1.00 0.00 O ATOM 233 N3 DT A 8 0.057 5.424 -5.393 1.00 0.00 N ATOM 234 C4 DT A 8 0.192 5.561 -4.023 1.00 0.00 C ATOM 235 O4 DT A 8 -0.687 6.137 -3.385 1.00 0.00 O ATOM 236 C5 DT A 8 1.413 4.988 -3.470 1.00 0.00 C ATOM 237 C7 DT A 8 1.629 5.035 -1.972 1.00 0.00 C ATOM 238 C6 DT A 8 2.309 4.358 -4.277 1.00 0.00 C ATOM 0 H5' DT A 8 5.712 1.284 -4.754 1.00 0.00 H new ATOM 0 H5'' DT A 8 6.923 1.601 -5.981 1.00 0.00 H new ATOM 0 H4' DT A 8 4.906 1.366 -7.166 1.00 0.00 H new ATOM 0 H3' DT A 8 6.229 3.795 -7.394 1.00 0.00 H new ATOM 0 H2' DT A 8 4.570 5.029 -5.991 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.877 5.223 -7.588 1.00 0.00 H new ATOM 0 H1' DT A 8 2.474 3.174 -7.324 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.775 5.828 -5.822 1.00 0.00 H new ATOM 0 H71 DT A 8 1.135 5.915 -1.561 1.00 0.00 H new ATOM 0 H72 DT A 8 1.211 4.138 -1.516 1.00 0.00 H new ATOM 0 H73 DT A 8 2.697 5.086 -1.760 1.00 0.00 H new ATOM 0 H6 DT A 8 3.215 3.952 -3.852 1.00 0.00 H new TER 251 DT A 8 ATOM 252 P DC B 1 -4.685 -5.042 -9.495 1.00 0.00 P ATOM 253 OP1 DC B 1 -5.708 -6.109 -9.441 1.00 0.00 O ATOM 254 OP2 DC B 1 -3.814 -4.925 -10.685 1.00 0.00 O ATOM 255 O5' DC B 1 -5.423 -3.620 -9.271 1.00 0.00 O ATOM 256 C5' DC B 1 -6.025 -2.915 -10.346 1.00 0.00 C ATOM 257 C4' DC B 1 -7.522 -2.670 -10.111 1.00 0.00 C ATOM 258 O4' DC B 1 -8.191 -3.913 -10.010 1.00 0.00 O ATOM 259 C3' DC B 1 -7.820 -1.887 -8.825 1.00 0.00 C ATOM 260 O3' DC B 1 -8.505 -0.683 -9.108 1.00 0.00 O ATOM 261 C2' DC B 1 -8.792 -2.776 -8.061 1.00 0.00 C ATOM 262 C1' DC B 1 -9.272 -3.768 -9.114 1.00 0.00 C ATOM 263 N1 DC B 1 -9.563 -5.074 -8.473 1.00 0.00 N ATOM 264 C2 DC B 1 -10.865 -5.575 -8.459 1.00 0.00 C ATOM 265 O2 DC B 1 -11.784 -4.976 -9.013 1.00 0.00 O ATOM 266 N3 DC B 1 -11.097 -6.751 -7.810 1.00 0.00 N ATOM 267 C4 DC B 1 -10.105 -7.407 -7.194 1.00 0.00 C ATOM 268 N4 DC B 1 -10.394 -8.545 -6.561 1.00 0.00 N ATOM 269 C5 DC B 1 -8.760 -6.906 -7.191 1.00 0.00 C ATOM 270 C6 DC B 1 -8.546 -5.741 -7.844 1.00 0.00 C ATOM 0 H5' DC B 1 -5.891 -3.479 -11.269 1.00 0.00 H new ATOM 0 H5'' DC B 1 -5.519 -1.959 -10.481 1.00 0.00 H new ATOM 0 H4' DC B 1 -7.868 -2.078 -10.959 1.00 0.00 H new ATOM 0 H3' DC B 1 -6.899 -1.647 -8.293 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.304 -3.281 -7.227 1.00 0.00 H new ATOM 0 H2'' DC B 1 -9.619 -2.201 -7.645 1.00 0.00 H new ATOM 0 H1' DC B 1 -10.179 -3.428 -9.614 1.00 0.00 H new ATOM 0 H41 DC B 1 -9.657 -9.064 -6.084 1.00 0.00 H new ATOM 0 H42 DC B 1 -11.352 -8.896 -6.554 1.00 0.00 H new ATOM 0 H5 DC B 1 -7.959 -7.433 -6.693 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.549 -5.327 -7.870 1.00 0.00 H new ATOM 282 P DC B 2 -7.759 0.748 -9.118 1.00 0.00 P ATOM 283 OP1 DC B 2 -8.749 1.774 -9.513 1.00 0.00 O ATOM 284 OP2 DC B 2 -6.499 0.609 -9.880 1.00 0.00 O ATOM 285 O5' DC B 2 -7.387 0.980 -7.564 1.00 0.00 O ATOM 286 C5' DC B 2 -8.316 0.712 -6.534 1.00 0.00 C ATOM 287 C4' DC B 2 -7.780 0.938 -5.113 1.00 0.00 C ATOM 288 O4' DC B 2 -6.729 0.106 -4.680 1.00 0.00 O ATOM 289 C3' DC B 2 -7.506 2.380 -4.681 1.00 0.00 C ATOM 290 O3' DC B 2 -8.278 2.605 -3.511 1.00 0.00 O ATOM 291 C2' DC B 2 -6.009 2.352 -4.428 1.00 0.00 C ATOM 292 C1' DC B 2 -5.728 0.900 -4.066 1.00 0.00 C ATOM 293 N1 DC B 2 -4.470 0.497 -4.694 1.00 0.00 N ATOM 294 C2 DC B 2 -3.393 0.148 -3.906 1.00 0.00 C ATOM 295 O2 DC B 2 -3.423 0.340 -2.698 1.00 0.00 O ATOM 296 N3 DC B 2 -2.313 -0.413 -4.506 1.00 0.00 N ATOM 297 C4 DC B 2 -2.274 -0.559 -5.835 1.00 0.00 C ATOM 298 N4 DC B 2 -1.237 -1.213 -6.351 1.00 0.00 N ATOM 299 C5 DC B 2 -3.362 -0.137 -6.677 1.00 0.00 C ATOM 300 C6 DC B 2 -4.444 0.370 -6.045 1.00 0.00 C ATOM 0 H5' DC B 2 -8.648 -0.323 -6.622 1.00 0.00 H new ATOM 0 H5'' DC B 2 -9.193 1.342 -6.681 1.00 0.00 H new ATOM 0 H4' DC B 2 -8.680 0.618 -4.588 1.00 0.00 H new ATOM 0 H3' DC B 2 -7.766 3.174 -5.382 1.00 0.00 H new ATOM 0 H2' DC B 2 -5.448 2.660 -5.311 1.00 0.00 H new ATOM 0 H2'' DC B 2 -5.727 3.027 -3.620 1.00 0.00 H new ATOM 0 H1' DC B 2 -5.698 0.784 -2.983 1.00 0.00 H new ATOM 0 H41 DC B 2 -1.169 -1.346 -7.360 1.00 0.00 H new ATOM 0 H42 DC B 2 -0.510 -1.581 -5.738 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.317 -0.221 -7.753 1.00 0.00 H new ATOM 0 H6 DC B 2 -5.301 0.679 -6.624 1.00 0.00 H new ATOM 312 P DG B 3 -8.248 3.983 -2.682 1.00 0.00 P ATOM 313 OP1 DG B 3 -9.467 4.048 -1.846 1.00 0.00 O ATOM 314 OP2 DG B 3 -7.938 5.087 -3.618 1.00 0.00 O ATOM 315 O5' DG B 3 -6.982 3.769 -1.715 1.00 0.00 O ATOM 316 C5' DG B 3 -6.932 2.732 -0.749 1.00 0.00 C ATOM 317 C4' DG B 3 -5.570 2.783 -0.050 1.00 0.00 C ATOM 318 O4' DG B 3 -4.598 2.533 -1.025 1.00 0.00 O ATOM 319 C3' DG B 3 -5.296 4.179 0.507 1.00 0.00 C ATOM 320 O3' DG B 3 -5.376 4.144 1.913 1.00 0.00 O ATOM 321 C2' DG B 3 -3.862 4.441 0.100 1.00 0.00 C ATOM 322 C1' DG B 3 -3.417 3.168 -0.616 1.00 0.00 C ATOM 323 N9 DG B 3 -2.675 3.395 -1.869 1.00 0.00 N ATOM 324 C8 DG B 3 -3.187 3.934 -3.015 1.00 0.00 C ATOM 325 N7 DG B 3 -2.530 3.624 -4.099 1.00 0.00 N ATOM 326 C5 DG B 3 -1.467 2.854 -3.629 1.00 0.00 C ATOM 327 C6 DG B 3 -0.421 2.177 -4.333 1.00 0.00 C ATOM 328 O6 DG B 3 -0.260 2.069 -5.544 1.00 0.00 O ATOM 329 N1 DG B 3 0.495 1.578 -3.474 1.00 0.00 N ATOM 330 C2 DG B 3 0.365 1.560 -2.108 1.00 0.00 C ATOM 331 N2 DG B 3 1.354 0.972 -1.453 1.00 0.00 N ATOM 332 N3 DG B 3 -0.653 2.118 -1.442 1.00 0.00 N ATOM 333 C4 DG B 3 -1.525 2.758 -2.258 1.00 0.00 C ATOM 0 H5' DG B 3 -7.077 1.763 -1.226 1.00 0.00 H new ATOM 0 H5'' DG B 3 -7.735 2.852 -0.022 1.00 0.00 H new ATOM 0 H4' DG B 3 -5.554 2.058 0.764 1.00 0.00 H new ATOM 0 H3' DG B 3 -5.997 4.933 0.148 1.00 0.00 H new ATOM 0 H2' DG B 3 -3.790 5.309 -0.556 1.00 0.00 H new ATOM 0 H2'' DG B 3 -3.236 4.645 0.969 1.00 0.00 H new ATOM 0 H1' DG B 3 -2.772 2.621 0.072 1.00 0.00 H new ATOM 0 H8 DG B 3 -4.064 4.565 -3.023 1.00 0.00 H new ATOM 0 H1 DG B 3 1.312 1.125 -3.884 1.00 0.00 H new ATOM 0 H21 DG B 3 1.330 0.918 -0.435 1.00 0.00 H new ATOM 0 H22 DG B 3 2.140 0.573 -1.967 1.00 0.00 H new ATOM 345 P DT B 4 -6.140 5.303 2.725 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.520 4.856 3.017 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.900 6.599 2.054 1.00 0.00 O ATOM 348 O5' DT B 4 -5.290 5.287 4.074 1.00 0.00 O ATOM 349 C5' DT B 4 -5.318 4.178 4.946 1.00 0.00 C ATOM 350 C4' DT B 4 -4.146 4.302 5.914 1.00 0.00 C ATOM 351 O4' DT B 4 -2.933 4.141 5.194 1.00 0.00 O ATOM 352 C3' DT B 4 -4.109 5.688 6.564 1.00 0.00 C ATOM 353 O3' DT B 4 -3.803 5.540 7.939 1.00 0.00 O ATOM 354 C2' DT B 4 -2.958 6.361 5.841 1.00 0.00 C ATOM 355 C1' DT B 4 -2.057 5.167 5.610 1.00 0.00 C ATOM 356 N1 DT B 4 -1.026 5.526 4.619 1.00 0.00 N ATOM 357 C2 DT B 4 0.185 6.013 5.104 1.00 0.00 C ATOM 358 O2 DT B 4 0.405 6.209 6.297 1.00 0.00 O ATOM 359 N3 DT B 4 1.156 6.283 4.161 1.00 0.00 N ATOM 360 C4 DT B 4 1.027 6.098 2.797 1.00 0.00 C ATOM 361 O4 DT B 4 1.977 6.364 2.065 1.00 0.00 O ATOM 362 C5 DT B 4 -0.273 5.599 2.365 1.00 0.00 C ATOM 363 C7 DT B 4 -0.418 5.189 0.907 1.00 0.00 C ATOM 364 C6 DT B 4 -1.261 5.361 3.277 1.00 0.00 C ATOM 0 H5' DT B 4 -5.247 3.249 4.381 1.00 0.00 H new ATOM 0 H5'' DT B 4 -6.261 4.148 5.492 1.00 0.00 H new ATOM 0 H4' DT B 4 -4.264 3.540 6.684 1.00 0.00 H new ATOM 0 H3' DT B 4 -5.044 6.244 6.496 1.00 0.00 H new ATOM 0 H2' DT B 4 -3.270 6.833 4.910 1.00 0.00 H new ATOM 0 H2'' DT B 4 -2.481 7.132 6.445 1.00 0.00 H new ATOM 0 H1' DT B 4 -1.500 4.838 6.487 1.00 0.00 H new ATOM 0 H3 DT B 4 2.045 6.651 4.500 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.159 4.394 0.825 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.740 6.048 0.318 1.00 0.00 H new ATOM 0 H73 DT B 4 0.541 4.831 0.533 1.00 0.00 H new ATOM 0 H6 DT B 4 -2.235 5.040 2.939 1.00 0.00 H new ATOM 377 P DC B 5 -4.746 6.166 9.081 1.00 0.00 P ATOM 378 OP1 DC B 5 -4.999 7.583 8.736 1.00 0.00 O ATOM 379 OP2 DC B 5 -4.161 5.826 10.396 1.00 0.00 O ATOM 380 O5' DC B 5 -6.135 5.358 8.905 1.00 0.00 O ATOM 381 C5' DC B 5 -6.421 4.154 9.591 1.00 0.00 C ATOM 382 C4' DC B 5 -7.925 3.858 9.493 1.00 0.00 C ATOM 383 O4' DC B 5 -8.639 5.009 9.916 1.00 0.00 O ATOM 384 C3' DC B 5 -8.391 3.510 8.074 1.00 0.00 C ATOM 385 O3' DC B 5 -9.292 2.415 8.076 1.00 0.00 O ATOM 386 C2' DC B 5 -9.199 4.714 7.623 1.00 0.00 C ATOM 387 C1' DC B 5 -9.606 5.363 8.946 1.00 0.00 C ATOM 388 N1 DC B 5 -9.648 6.845 8.837 1.00 0.00 N ATOM 389 C2 DC B 5 -10.770 7.536 9.299 1.00 0.00 C ATOM 390 O2 DC B 5 -11.750 6.941 9.739 1.00 0.00 O ATOM 391 N3 DC B 5 -10.758 8.899 9.252 1.00 0.00 N ATOM 392 C4 DC B 5 -9.695 9.564 8.785 1.00 0.00 C ATOM 393 N4 DC B 5 -9.737 10.897 8.767 1.00 0.00 N ATOM 394 C5 DC B 5 -8.527 8.877 8.314 1.00 0.00 C ATOM 395 C6 DC B 5 -8.553 7.525 8.366 1.00 0.00 C ATOM 0 H5' DC B 5 -6.123 4.238 10.636 1.00 0.00 H new ATOM 0 H5'' DC B 5 -5.848 3.332 9.161 1.00 0.00 H new ATOM 0 H4' DC B 5 -8.117 2.989 10.123 1.00 0.00 H new ATOM 0 H3' DC B 5 -7.533 3.264 7.448 1.00 0.00 H new ATOM 0 H2' DC B 5 -8.607 5.390 7.006 1.00 0.00 H new ATOM 0 H2'' DC B 5 -10.067 4.421 7.032 1.00 0.00 H new ATOM 0 H1' DC B 5 -10.602 5.015 9.220 1.00 0.00 H new ATOM 0 H41 DC B 5 -8.940 11.428 8.416 1.00 0.00 H new ATOM 0 H42 DC B 5 -10.566 11.386 9.104 1.00 0.00 H new ATOM 0 H5 DC B 5 -7.669 9.413 7.936 1.00 0.00 H new ATOM 0 H6 DC B 5 -7.691 6.968 8.029 1.00 0.00 H new ATOM 407 P DC B 6 -8.813 0.877 8.017 1.00 0.00 P ATOM 408 OP1 DC B 6 -9.999 0.028 8.257 1.00 0.00 O ATOM 409 OP2 DC B 6 -7.616 0.728 8.873 1.00 0.00 O ATOM 410 O5' DC B 6 -8.359 0.671 6.483 1.00 0.00 O ATOM 411 C5' DC B 6 -9.026 1.296 5.407 1.00 0.00 C ATOM 412 C4' DC B 6 -8.420 0.970 4.031 1.00 0.00 C ATOM 413 O4' DC B 6 -7.144 1.503 3.744 1.00 0.00 O ATOM 414 C3' DC B 6 -8.469 -0.488 3.573 1.00 0.00 C ATOM 415 O3' DC B 6 -9.092 -0.506 2.298 1.00 0.00 O ATOM 416 C2' DC B 6 -6.995 -0.854 3.534 1.00 0.00 C ATOM 417 C1' DC B 6 -6.302 0.474 3.253 1.00 0.00 C ATOM 418 N1 DC B 6 -5.080 0.544 4.056 1.00 0.00 N ATOM 419 C2 DC B 6 -3.851 0.620 3.435 1.00 0.00 C ATOM 420 O2 DC B 6 -3.756 0.437 2.229 1.00 0.00 O ATOM 421 N3 DC B 6 -2.762 0.908 4.195 1.00 0.00 N ATOM 422 C4 DC B 6 -2.876 1.048 5.521 1.00 0.00 C ATOM 423 N4 DC B 6 -1.805 1.461 6.193 1.00 0.00 N ATOM 424 C5 DC B 6 -4.142 0.905 6.190 1.00 0.00 C ATOM 425 C6 DC B 6 -5.212 0.672 5.400 1.00 0.00 C ATOM 0 H5' DC B 6 -9.006 2.376 5.556 1.00 0.00 H new ATOM 0 H5'' DC B 6 -10.073 0.992 5.414 1.00 0.00 H new ATOM 0 H4' DC B 6 -9.146 1.524 3.436 1.00 0.00 H new ATOM 0 H3' DC B 6 -9.030 -1.185 4.195 1.00 0.00 H new ATOM 0 H2' DC B 6 -6.664 -1.287 4.478 1.00 0.00 H new ATOM 0 H2'' DC B 6 -6.785 -1.588 2.756 1.00 0.00 H new ATOM 0 H1' DC B 6 -6.091 0.570 2.188 1.00 0.00 H new ATOM 0 H41 DC B 6 -1.852 1.580 7.205 1.00 0.00 H new ATOM 0 H42 DC B 6 -0.936 1.659 5.696 1.00 0.00 H new ATOM 0 H5 DC B 6 -4.231 0.980 7.264 1.00 0.00 H new ATOM 0 H6 DC B 6 -6.192 0.586 5.847 1.00 0.00 H new ATOM 437 P DG B 7 -9.298 -1.849 1.432 1.00 0.00 P ATOM 438 OP1 DG B 7 -10.341 -1.586 0.416 1.00 0.00 O ATOM 439 OP2 DG B 7 -9.450 -2.987 2.364 1.00 0.00 O ATOM 440 O5' DG B 7 -7.885 -2.003 0.675 1.00 0.00 O ATOM 441 C5' DG B 7 -7.416 -1.039 -0.254 1.00 0.00 C ATOM 442 C4' DG B 7 -6.015 -1.441 -0.726 1.00 0.00 C ATOM 443 O4' DG B 7 -5.172 -1.414 0.392 1.00 0.00 O ATOM 444 C3' DG B 7 -5.994 -2.873 -1.258 1.00 0.00 C ATOM 445 O3' DG B 7 -5.830 -2.850 -2.658 1.00 0.00 O ATOM 446 C2' DG B 7 -4.756 -3.470 -0.626 1.00 0.00 C ATOM 447 C1' DG B 7 -4.129 -2.321 0.154 1.00 0.00 C ATOM 448 N9 DG B 7 -3.653 -2.697 1.497 1.00 0.00 N ATOM 449 C8 DG B 7 -4.434 -3.079 2.552 1.00 0.00 C ATOM 450 N7 DG B 7 -3.867 -2.937 3.720 1.00 0.00 N ATOM 451 C5 DG B 7 -2.596 -2.454 3.412 1.00 0.00 C ATOM 452 C6 DG B 7 -1.529 -2.023 4.263 1.00 0.00 C ATOM 453 O6 DG B 7 -1.517 -1.941 5.486 1.00 0.00 O ATOM 454 N1 DG B 7 -0.397 -1.646 3.548 1.00 0.00 N ATOM 455 C2 DG B 7 -0.332 -1.616 2.179 1.00 0.00 C ATOM 456 N2 DG B 7 0.835 -1.233 1.682 1.00 0.00 N ATOM 457 N3 DG B 7 -1.345 -1.942 1.370 1.00 0.00 N ATOM 458 C4 DG B 7 -2.444 -2.359 2.048 1.00 0.00 C ATOM 0 H5' DG B 7 -7.389 -0.052 0.209 1.00 0.00 H new ATOM 0 H5'' DG B 7 -8.095 -0.974 -1.104 1.00 0.00 H new ATOM 0 H4' DG B 7 -5.704 -0.758 -1.516 1.00 0.00 H new ATOM 0 H3' DG B 7 -6.906 -3.426 -1.033 1.00 0.00 H new ATOM 0 H2' DG B 7 -5.008 -4.303 0.030 1.00 0.00 H new ATOM 0 H2'' DG B 7 -4.072 -3.856 -1.382 1.00 0.00 H new ATOM 0 H1' DG B 7 -3.282 -1.952 -0.425 1.00 0.00 H new ATOM 0 H8 DG B 7 -5.435 -3.465 2.430 1.00 0.00 H new ATOM 0 H1 DG B 7 0.434 -1.376 4.074 1.00 0.00 H new ATOM 0 H21 DG B 7 0.968 -1.183 0.672 1.00 0.00 H new ATOM 0 H22 DG B 7 1.601 -0.988 2.310 1.00 0.00 H new ATOM 470 P DT B 8 -6.735 -3.773 -3.616 1.00 0.00 P ATOM 471 OP1 DT B 8 -7.824 -2.953 -4.191 1.00 0.00 O ATOM 472 OP2 DT B 8 -7.044 -5.041 -2.919 1.00 0.00 O ATOM 473 O5' DT B 8 -5.667 -4.095 -4.756 1.00 0.00 O ATOM 474 C5' DT B 8 -5.251 -3.109 -5.673 1.00 0.00 C ATOM 475 C4' DT B 8 -4.007 -3.618 -6.395 1.00 0.00 C ATOM 476 O4' DT B 8 -2.922 -3.629 -5.479 1.00 0.00 O ATOM 477 C3' DT B 8 -4.202 -5.060 -6.888 1.00 0.00 C ATOM 478 O3' DT B 8 -3.721 -5.208 -8.210 1.00 0.00 O ATOM 479 C2' DT B 8 -3.322 -5.853 -5.937 1.00 0.00 C ATOM 480 C1' DT B 8 -2.229 -4.842 -5.669 1.00 0.00 C ATOM 481 N1 DT B 8 -1.436 -5.277 -4.503 1.00 0.00 N ATOM 482 C2 DT B 8 -0.285 -6.019 -4.751 1.00 0.00 C ATOM 483 O2 DT B 8 0.065 -6.368 -5.875 1.00 0.00 O ATOM 484 N3 DT B 8 0.469 -6.365 -3.645 1.00 0.00 N ATOM 485 C4 DT B 8 0.179 -6.028 -2.336 1.00 0.00 C ATOM 486 O4 DT B 8 0.949 -6.371 -1.442 1.00 0.00 O ATOM 487 C5 DT B 8 -1.057 -5.278 -2.157 1.00 0.00 C ATOM 488 C7 DT B 8 -1.365 -4.755 -0.766 1.00 0.00 C ATOM 489 C6 DT B 8 -1.833 -4.948 -3.230 1.00 0.00 C ATOM 0 H5' DT B 8 -5.033 -2.176 -5.154 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.045 -2.897 -6.389 1.00 0.00 H new ATOM 0 H4' DT B 8 -3.817 -2.964 -7.246 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.246 -5.371 -6.900 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.850 -6.144 -5.029 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.939 -6.767 -6.391 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.501 -4.732 -6.473 1.00 0.00 H new ATOM 0 H3 DT B 8 1.311 -6.916 -3.809 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.947 -3.837 -0.843 1.00 0.00 H new ATOM 0 H72 DT B 8 -1.936 -5.502 -0.215 1.00 0.00 H new ATOM 0 H73 DT B 8 -0.433 -4.550 -0.240 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.765 -4.425 -3.077 1.00 0.00 H new TER 502 DT B 8