USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 184 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 DA O5' : rot 180:sc= -0.0826 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.253 (180deg=-0.498) USER MOD Single : A 5 DT C7 :methyl 150:sc= -0.797 (180deg=-0.797) USER MOD Single : A 8 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 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 16 DT C7 :methyl -30:sc= -0.366 (180deg=-0.432) USER MOD Single : A 16 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 6.086 0.256 2.151 1.00 0.00 O ATOM 2 C5' DA A 1 7.244 0.590 1.374 1.00 0.00 C ATOM 3 C4' DA A 1 7.706 2.020 1.606 1.00 0.00 C ATOM 4 O4' DA A 1 6.939 2.946 0.795 1.00 0.00 O ATOM 5 C3' DA A 1 7.513 2.422 3.063 1.00 0.00 C ATOM 6 O3' DA A 1 8.665 3.103 3.572 1.00 0.00 O ATOM 7 C2' DA A 1 6.326 3.327 3.049 1.00 0.00 C ATOM 8 C1' DA A 1 6.247 3.884 1.650 1.00 0.00 C ATOM 9 N9 DA A 1 4.849 4.057 1.227 1.00 0.00 N ATOM 10 C8 DA A 1 3.865 3.135 1.082 1.00 0.00 C ATOM 11 N7 DA A 1 2.713 3.553 0.673 1.00 0.00 N ATOM 12 C5 DA A 1 2.949 4.924 0.525 1.00 0.00 C ATOM 13 C6 DA A 1 2.137 5.985 0.113 1.00 0.00 C ATOM 14 N6 DA A 1 0.861 5.829 -0.246 1.00 0.00 N ATOM 15 N1 DA A 1 2.690 7.212 0.083 1.00 0.00 N ATOM 16 C2 DA A 1 3.966 7.385 0.436 1.00 0.00 C ATOM 17 N3 DA A 1 4.821 6.453 0.839 1.00 0.00 N ATOM 18 C4 DA A 1 4.245 5.236 0.861 1.00 0.00 C ATOM 0 H5' DA A 1 7.021 0.450 0.316 1.00 0.00 H new ATOM 0 H5'' DA A 1 8.054 -0.095 1.622 1.00 0.00 H new ATOM 0 H4' DA A 1 8.761 2.062 1.337 1.00 0.00 H new ATOM 0 H3' DA A 1 7.369 1.556 3.709 1.00 0.00 H new ATOM 0 H2' DA A 1 5.417 2.783 3.305 1.00 0.00 H new ATOM 0 H2'' DA A 1 6.436 4.126 3.782 1.00 0.00 H new ATOM 0 HO5' DA A 1 5.825 -0.671 1.968 1.00 0.00 H new ATOM 0 H1' DA A 1 6.707 4.871 1.597 1.00 0.00 H new ATOM 0 H8 DA A 1 4.038 2.091 1.300 1.00 0.00 H new ATOM 0 H61 DA A 1 0.311 6.637 -0.539 1.00 0.00 H new ATOM 0 H62 DA A 1 0.436 4.902 -0.227 1.00 0.00 H new ATOM 0 H2 DA A 1 4.345 8.395 0.388 1.00 0.00 H new ATOM 31 P DT A 2 8.684 3.639 5.086 1.00 0.00 P ATOM 32 OP1 DT A 2 10.089 3.670 5.567 1.00 0.00 O ATOM 33 OP2 DT A 2 7.663 2.903 5.873 1.00 0.00 O ATOM 34 O5' DT A 2 8.179 5.149 4.857 1.00 0.00 O ATOM 35 C5' DT A 2 8.724 5.943 3.794 1.00 0.00 C ATOM 36 C4' DT A 2 8.237 7.387 3.821 1.00 0.00 C ATOM 37 O4' DT A 2 6.944 7.523 3.176 1.00 0.00 O ATOM 38 C3' DT A 2 8.088 7.899 5.248 1.00 0.00 C ATOM 39 O3' DT A 2 8.735 9.165 5.415 1.00 0.00 O ATOM 40 C2' DT A 2 6.616 8.037 5.456 1.00 0.00 C ATOM 41 C1' DT A 2 6.025 8.183 4.079 1.00 0.00 C ATOM 42 N1 DT A 2 4.665 7.607 4.001 1.00 0.00 N ATOM 43 C2 DT A 2 3.652 8.441 3.569 1.00 0.00 C ATOM 44 O2 DT A 2 3.849 9.622 3.293 1.00 0.00 O ATOM 45 N3 DT A 2 2.399 7.874 3.475 1.00 0.00 N ATOM 46 C4 DT A 2 2.070 6.562 3.771 1.00 0.00 C ATOM 47 O4 DT A 2 0.914 6.162 3.640 1.00 0.00 O ATOM 48 C5 DT A 2 3.189 5.765 4.218 1.00 0.00 C ATOM 49 C7 DT A 2 2.971 4.298 4.573 1.00 0.00 C ATOM 50 C6 DT A 2 4.424 6.297 4.320 1.00 0.00 C ATOM 0 H5' DT A 2 8.457 5.493 2.838 1.00 0.00 H new ATOM 0 H5'' DT A 2 9.812 5.931 3.859 1.00 0.00 H new ATOM 0 H4' DT A 2 8.989 7.969 3.288 1.00 0.00 H new ATOM 0 H3' DT A 2 8.549 7.222 5.967 1.00 0.00 H new ATOM 0 H2' DT A 2 6.209 7.165 5.967 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.387 8.905 6.075 1.00 0.00 H new ATOM 0 H1' DT A 2 5.905 9.233 3.814 1.00 0.00 H new ATOM 0 H3 DT A 2 1.642 8.479 3.157 1.00 0.00 H new ATOM 0 H71 DT A 2 1.956 4.161 4.945 1.00 0.00 H new ATOM 0 H72 DT A 2 3.119 3.683 3.685 1.00 0.00 H new ATOM 0 H73 DT A 2 3.683 4.000 5.343 1.00 0.00 H new ATOM 0 H6 DT A 2 5.240 5.677 4.660 1.00 0.00 H new ATOM 63 P DC A 3 8.681 9.926 6.828 1.00 0.00 P ATOM 64 OP1 DC A 3 9.906 10.754 6.976 1.00 0.00 O ATOM 65 OP2 DC A 3 8.337 8.946 7.890 1.00 0.00 O ATOM 66 O5' DC A 3 7.419 10.896 6.584 1.00 0.00 O ATOM 67 C5' DC A 3 7.323 11.682 5.386 1.00 0.00 C ATOM 68 C4' DC A 3 6.221 12.737 5.449 1.00 0.00 C ATOM 69 O4' DC A 3 4.939 12.177 5.066 1.00 0.00 O ATOM 70 C3' DC A 3 6.069 13.304 6.856 1.00 0.00 C ATOM 71 O3' DC A 3 6.018 14.736 6.835 1.00 0.00 O ATOM 72 C2' DC A 3 4.780 12.739 7.359 1.00 0.00 C ATOM 73 C1' DC A 3 3.979 12.378 6.131 1.00 0.00 C ATOM 74 N1 DC A 3 3.164 11.158 6.342 1.00 0.00 N ATOM 75 C2 DC A 3 1.809 11.235 6.062 1.00 0.00 C ATOM 76 O2 DC A 3 1.305 12.301 5.716 1.00 0.00 O ATOM 77 N3 DC A 3 1.064 10.107 6.187 1.00 0.00 N ATOM 78 C4 DC A 3 1.617 8.948 6.571 1.00 0.00 C ATOM 79 N4 DC A 3 0.863 7.849 6.655 1.00 0.00 N ATOM 80 C5 DC A 3 3.009 8.867 6.867 1.00 0.00 C ATOM 81 C6 DC A 3 3.741 9.988 6.743 1.00 0.00 C ATOM 0 H5' DC A 3 7.137 11.021 4.539 1.00 0.00 H new ATOM 0 H5'' DC A 3 8.279 12.174 5.203 1.00 0.00 H new ATOM 0 H4' DC A 3 6.514 13.527 4.757 1.00 0.00 H new ATOM 0 H3' DC A 3 6.914 13.040 7.492 1.00 0.00 H new ATOM 0 H2' DC A 3 4.955 11.862 7.983 1.00 0.00 H new ATOM 0 H2'' DC A 3 4.248 13.466 7.973 1.00 0.00 H new ATOM 0 H1' DC A 3 3.272 13.172 5.889 1.00 0.00 H new ATOM 0 H41 DC A 3 1.280 6.965 6.947 1.00 0.00 H new ATOM 0 H42 DC A 3 -0.130 7.893 6.427 1.00 0.00 H new ATOM 0 H5 DC A 3 3.460 7.937 7.180 1.00 0.00 H new ATOM 0 H6 DC A 3 4.798 9.962 6.963 1.00 0.00 H new ATOM 93 P DC A 4 5.831 15.567 8.198 1.00 0.00 P ATOM 94 OP1 DC A 4 6.465 16.901 8.039 1.00 0.00 O ATOM 95 OP2 DC A 4 6.224 14.709 9.345 1.00 0.00 O ATOM 96 O5' DC A 4 4.230 15.746 8.205 1.00 0.00 O ATOM 97 C5' DC A 4 3.555 16.290 7.062 1.00 0.00 C ATOM 98 C4' DC A 4 2.073 16.543 7.309 1.00 0.00 C ATOM 99 O4' DC A 4 1.304 15.317 7.199 1.00 0.00 O ATOM 100 C3' DC A 4 1.828 17.112 8.701 1.00 0.00 C ATOM 101 O3' DC A 4 1.007 18.282 8.638 1.00 0.00 O ATOM 102 C2' DC A 4 1.140 16.014 9.453 1.00 0.00 C ATOM 103 C1' DC A 4 0.525 15.123 8.402 1.00 0.00 C ATOM 104 N1 DC A 4 0.521 13.697 8.810 1.00 0.00 N ATOM 105 C2 DC A 4 -0.687 13.020 8.746 1.00 0.00 C ATOM 106 O2 DC A 4 -1.712 13.610 8.411 1.00 0.00 O ATOM 107 N3 DC A 4 -0.701 11.701 9.060 1.00 0.00 N ATOM 108 C4 DC A 4 0.417 11.059 9.424 1.00 0.00 C ATOM 109 N4 DC A 4 0.364 9.758 9.718 1.00 0.00 N ATOM 110 C5 DC A 4 1.663 11.748 9.497 1.00 0.00 C ATOM 111 C6 DC A 4 1.672 13.060 9.188 1.00 0.00 C ATOM 0 H5' DC A 4 3.666 15.605 6.222 1.00 0.00 H new ATOM 0 H5'' DC A 4 4.035 17.226 6.775 1.00 0.00 H new ATOM 0 H4' DC A 4 1.756 17.259 6.550 1.00 0.00 H new ATOM 0 H3' DC A 4 2.755 17.419 9.185 1.00 0.00 H new ATOM 0 H2' DC A 4 1.847 15.460 10.071 1.00 0.00 H new ATOM 0 H2'' DC A 4 0.378 16.415 10.121 1.00 0.00 H new ATOM 0 H1' DC A 4 -0.521 15.386 8.247 1.00 0.00 H new ATOM 0 H41 DC A 4 1.211 9.263 9.996 1.00 0.00 H new ATOM 0 H42 DC A 4 -0.524 9.259 9.665 1.00 0.00 H new ATOM 0 H5 DC A 4 2.568 11.237 9.790 1.00 0.00 H new ATOM 0 H6 DC A 4 2.597 13.615 9.239 1.00 0.00 H new ATOM 123 P DT A 5 0.593 19.058 9.982 1.00 0.00 P ATOM 124 OP1 DT A 5 0.342 20.484 9.654 1.00 0.00 O ATOM 125 OP2 DT A 5 1.563 18.717 11.053 1.00 0.00 O ATOM 126 O5' DT A 5 -0.810 18.343 10.299 1.00 0.00 O ATOM 127 C5' DT A 5 -2.001 18.761 9.622 1.00 0.00 C ATOM 128 C4' DT A 5 -3.248 18.051 10.130 1.00 0.00 C ATOM 129 O4' DT A 5 -3.071 16.611 10.133 1.00 0.00 O ATOM 130 C3' DT A 5 -3.587 18.478 11.555 1.00 0.00 C ATOM 131 O3' DT A 5 -4.947 18.914 11.659 1.00 0.00 O ATOM 132 C2' DT A 5 -3.344 17.259 12.391 1.00 0.00 C ATOM 133 C1' DT A 5 -3.394 16.086 11.440 1.00 0.00 C ATOM 134 N1 DT A 5 -2.452 15.014 11.837 1.00 0.00 N ATOM 135 C2 DT A 5 -2.961 13.731 11.948 1.00 0.00 C ATOM 136 O2 DT A 5 -4.147 13.479 11.745 1.00 0.00 O ATOM 137 N3 DT A 5 -2.056 12.746 12.306 1.00 0.00 N ATOM 138 C4 DT A 5 -0.709 12.929 12.561 1.00 0.00 C ATOM 139 O4 DT A 5 0.002 11.975 12.865 1.00 0.00 O ATOM 140 C5 DT A 5 -0.267 14.300 12.424 1.00 0.00 C ATOM 141 C7 DT A 5 1.189 14.655 12.705 1.00 0.00 C ATOM 142 C6 DT A 5 -1.126 15.278 12.072 1.00 0.00 C ATOM 0 H5' DT A 5 -1.891 18.573 8.554 1.00 0.00 H new ATOM 0 H5'' DT A 5 -2.125 19.837 9.746 1.00 0.00 H new ATOM 0 H4' DT A 5 -4.056 18.328 9.453 1.00 0.00 H new ATOM 0 H3' DT A 5 -2.981 19.324 11.880 1.00 0.00 H new ATOM 0 H2' DT A 5 -2.377 17.315 12.891 1.00 0.00 H new ATOM 0 H2'' DT A 5 -4.101 17.163 13.170 1.00 0.00 H new ATOM 0 H1' DT A 5 -4.382 15.626 11.448 1.00 0.00 H new ATOM 0 H3 DT A 5 -2.417 11.796 12.390 1.00 0.00 H new ATOM 0 H71 DT A 5 1.482 15.505 12.089 1.00 0.00 H new ATOM 0 H72 DT A 5 1.304 14.913 13.758 1.00 0.00 H new ATOM 0 H73 DT A 5 1.824 13.801 12.470 1.00 0.00 H new ATOM 0 H6 DT A 5 -0.763 16.290 11.973 1.00 0.00 H new ATOM 155 P DA A 6 -5.380 19.943 12.812 1.00 0.00 P ATOM 156 OP1 DA A 6 -6.366 20.904 12.256 1.00 0.00 O ATOM 157 OP2 DA A 6 -4.159 20.462 13.481 1.00 0.00 O ATOM 158 O5' DA A 6 -6.134 18.942 13.816 1.00 0.00 O ATOM 159 C5' DA A 6 -7.516 18.621 13.614 1.00 0.00 C ATOM 160 C4' DA A 6 -7.958 17.414 14.426 1.00 0.00 C ATOM 161 O4' DA A 6 -7.080 16.278 14.195 1.00 0.00 O ATOM 162 C3' DA A 6 -7.931 17.718 15.923 1.00 0.00 C ATOM 163 O3' DA A 6 -9.164 17.337 16.553 1.00 0.00 O ATOM 164 C2' DA A 6 -6.790 16.904 16.448 1.00 0.00 C ATOM 165 C1' DA A 6 -6.608 15.779 15.464 1.00 0.00 C ATOM 166 N9 DA A 6 -5.202 15.335 15.415 1.00 0.00 N ATOM 167 C8 DA A 6 -4.056 16.059 15.396 1.00 0.00 C ATOM 168 N7 DA A 6 -2.942 15.413 15.501 1.00 0.00 N ATOM 169 C5 DA A 6 -3.394 14.092 15.597 1.00 0.00 C ATOM 170 C6 DA A 6 -2.733 12.867 15.739 1.00 0.00 C ATOM 171 N6 DA A 6 -1.409 12.762 15.849 1.00 0.00 N ATOM 172 N1 DA A 6 -3.492 11.758 15.796 1.00 0.00 N ATOM 173 C2 DA A 6 -4.822 11.847 15.723 1.00 0.00 C ATOM 174 N3 DA A 6 -5.546 12.948 15.597 1.00 0.00 N ATOM 175 C4 DA A 6 -4.766 14.041 15.539 1.00 0.00 C ATOM 0 H5' DA A 6 -7.689 18.426 12.556 1.00 0.00 H new ATOM 0 H5'' DA A 6 -8.129 19.481 13.884 1.00 0.00 H new ATOM 0 H4' DA A 6 -8.973 17.178 14.107 1.00 0.00 H new ATOM 0 H3' DA A 6 -7.811 18.783 16.124 1.00 0.00 H new ATOM 0 H2' DA A 6 -5.884 17.505 16.528 1.00 0.00 H new ATOM 0 H2'' DA A 6 -7.008 16.521 17.445 1.00 0.00 H new ATOM 0 H1' DA A 6 -7.173 14.893 15.754 1.00 0.00 H new ATOM 0 H8 DA A 6 -4.074 17.134 15.297 1.00 0.00 H new ATOM 0 H61 DA A 6 -0.977 11.844 15.951 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.828 13.600 15.832 1.00 0.00 H new ATOM 0 H2 DA A 6 -5.368 10.917 15.772 1.00 0.00 H new ATOM 187 P DG A 7 -9.758 18.187 17.785 1.00 0.00 P ATOM 188 OP1 DG A 7 -11.124 18.652 17.436 1.00 0.00 O ATOM 189 OP2 DG A 7 -8.744 19.184 18.215 1.00 0.00 O ATOM 190 O5' DG A 7 -9.874 17.039 18.910 1.00 0.00 O ATOM 191 C5' DG A 7 -10.180 15.680 18.561 1.00 0.00 C ATOM 192 C4' DG A 7 -9.539 14.672 19.517 1.00 0.00 C ATOM 193 O4' DG A 7 -8.133 14.501 19.202 1.00 0.00 O ATOM 194 C3' DG A 7 -9.627 15.110 20.986 1.00 0.00 C ATOM 195 O3' DG A 7 -10.106 14.047 21.819 1.00 0.00 O ATOM 196 C2' DG A 7 -8.227 15.480 21.357 1.00 0.00 C ATOM 197 C1' DG A 7 -7.332 14.762 20.377 1.00 0.00 C ATOM 198 N9 DG A 7 -6.137 15.571 20.044 1.00 0.00 N ATOM 199 C8 DG A 7 -6.025 16.898 19.777 1.00 0.00 C ATOM 200 N7 DG A 7 -4.846 17.357 19.513 1.00 0.00 N ATOM 201 C5 DG A 7 -4.062 16.204 19.611 1.00 0.00 C ATOM 202 C6 DG A 7 -2.661 16.035 19.432 1.00 0.00 C ATOM 203 O6 DG A 7 -1.821 16.886 19.147 1.00 0.00 O ATOM 204 N1 DG A 7 -2.279 14.713 19.622 1.00 0.00 N ATOM 205 C2 DG A 7 -3.135 13.679 19.946 1.00 0.00 C ATOM 206 N2 DG A 7 -2.583 12.475 20.091 1.00 0.00 N ATOM 207 N3 DG A 7 -4.449 13.832 20.116 1.00 0.00 N ATOM 208 C4 DG A 7 -4.846 15.108 19.935 1.00 0.00 C ATOM 0 H5' DG A 7 -9.836 15.483 17.546 1.00 0.00 H new ATOM 0 H5'' DG A 7 -11.261 15.542 18.564 1.00 0.00 H new ATOM 0 H4' DG A 7 -10.093 13.742 19.388 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.326 15.936 21.121 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.081 16.559 21.301 1.00 0.00 H new ATOM 0 H2'' DG A 7 -8.003 15.181 22.381 1.00 0.00 H new ATOM 0 H1' DG A 7 -6.956 13.833 20.805 1.00 0.00 H new ATOM 0 H8 DG A 7 -6.889 17.546 19.785 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.290 14.489 19.514 1.00 0.00 H new ATOM 0 H21 DG A 7 -3.165 11.672 20.330 1.00 0.00 H new ATOM 0 H22 DG A 7 -1.578 12.356 19.963 1.00 0.00 H new ATOM 220 P DT A 8 -10.331 14.285 23.393 1.00 0.00 P ATOM 221 OP1 DT A 8 -11.689 13.809 23.763 1.00 0.00 O ATOM 222 OP2 DT A 8 -9.934 15.676 23.732 1.00 0.00 O ATOM 223 O5' DT A 8 -9.239 13.273 23.998 1.00 0.00 O ATOM 224 C5' DT A 8 -9.368 11.858 23.807 1.00 0.00 C ATOM 225 C4' DT A 8 -8.016 11.158 23.745 1.00 0.00 C ATOM 226 O4' DT A 8 -7.024 12.011 23.117 1.00 0.00 O ATOM 227 C3' DT A 8 -7.493 10.810 25.135 1.00 0.00 C ATOM 228 O3' DT A 8 -6.998 9.466 25.170 1.00 0.00 O ATOM 229 C2' DT A 8 -6.386 11.780 25.377 1.00 0.00 C ATOM 230 C1' DT A 8 -5.902 12.199 24.013 1.00 0.00 C ATOM 231 N1 DT A 8 -5.427 13.600 24.014 1.00 0.00 N ATOM 232 C2 DT A 8 -4.124 13.824 23.603 1.00 0.00 C ATOM 233 O2 DT A 8 -3.388 12.911 23.237 1.00 0.00 O ATOM 234 N3 DT A 8 -3.696 15.138 23.626 1.00 0.00 N ATOM 235 C4 DT A 8 -4.445 16.232 24.018 1.00 0.00 C ATOM 236 O4 DT A 8 -3.962 17.361 23.997 1.00 0.00 O ATOM 237 C5 DT A 8 -5.792 15.906 24.431 1.00 0.00 C ATOM 238 C7 DT A 8 -6.722 17.023 24.890 1.00 0.00 C ATOM 239 C6 DT A 8 -6.236 14.630 24.419 1.00 0.00 C ATOM 0 H5' DT A 8 -9.917 11.666 22.885 1.00 0.00 H new ATOM 0 H5'' DT A 8 -9.956 11.436 24.622 1.00 0.00 H new ATOM 0 H4' DT A 8 -8.171 10.247 23.167 1.00 0.00 H new ATOM 0 H3' DT A 8 -8.273 10.872 25.894 1.00 0.00 H new ATOM 0 H2' DT A 8 -6.737 12.639 25.948 1.00 0.00 H new ATOM 0 H2'' DT A 8 -5.583 11.321 25.953 1.00 0.00 H new ATOM 0 H1' DT A 8 -5.046 11.603 23.696 1.00 0.00 H new ATOM 0 H3 DT A 8 -2.738 15.317 23.326 1.00 0.00 H new ATOM 0 H71 DT A 8 -7.753 16.757 24.658 1.00 0.00 H new ATOM 0 H72 DT A 8 -6.617 17.165 25.966 1.00 0.00 H new ATOM 0 H73 DT A 8 -6.461 17.948 24.375 1.00 0.00 H new ATOM 0 H6 DT A 8 -7.247 14.418 24.734 1.00 0.00 H new ATOM 252 P DT A 9 -6.331 8.850 26.500 1.00 0.00 P ATOM 253 OP1 DT A 9 -7.033 7.588 26.846 1.00 0.00 O ATOM 254 OP2 DT A 9 -6.210 9.914 27.526 1.00 0.00 O ATOM 255 O5' DT A 9 -4.865 8.489 25.932 1.00 0.00 O ATOM 256 C5' DT A 9 -3.665 9.041 26.509 1.00 0.00 C ATOM 257 C4' DT A 9 -3.009 10.086 25.597 1.00 0.00 C ATOM 258 O4' DT A 9 -3.456 11.430 25.914 1.00 0.00 O ATOM 259 C3' DT A 9 -1.483 10.085 25.709 1.00 0.00 C ATOM 260 O3' DT A 9 -0.882 9.990 24.415 1.00 0.00 O ATOM 261 C2' DT A 9 -1.142 11.394 26.348 1.00 0.00 C ATOM 262 C1' DT A 9 -2.313 12.298 26.071 1.00 0.00 C ATOM 263 N1 DT A 9 -2.515 13.274 27.161 1.00 0.00 N ATOM 264 C2 DT A 9 -2.477 14.615 26.826 1.00 0.00 C ATOM 265 O2 DT A 9 -2.289 14.999 25.673 1.00 0.00 O ATOM 266 N3 DT A 9 -2.665 15.504 27.867 1.00 0.00 N ATOM 267 C4 DT A 9 -2.886 15.175 29.192 1.00 0.00 C ATOM 268 O4 DT A 9 -3.039 16.052 30.039 1.00 0.00 O ATOM 269 C5 DT A 9 -2.911 13.752 29.446 1.00 0.00 C ATOM 270 C7 DT A 9 -3.150 13.249 30.867 1.00 0.00 C ATOM 271 C6 DT A 9 -2.730 12.863 28.447 1.00 0.00 C ATOM 0 H5' DT A 9 -2.956 8.237 26.706 1.00 0.00 H new ATOM 0 H5'' DT A 9 -3.903 9.498 27.469 1.00 0.00 H new ATOM 0 H4' DT A 9 -3.308 9.807 24.586 1.00 0.00 H new ATOM 0 H3' DT A 9 -1.117 9.236 26.287 1.00 0.00 H new ATOM 0 H2' DT A 9 -0.982 11.277 27.420 1.00 0.00 H new ATOM 0 H2'' DT A 9 -0.222 11.805 25.932 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.147 12.895 25.174 1.00 0.00 H new ATOM 0 H3 DT A 9 -2.638 16.497 27.636 1.00 0.00 H new ATOM 0 H71 DT A 9 -3.652 12.282 30.831 1.00 0.00 H new ATOM 0 H72 DT A 9 -2.195 13.143 31.381 1.00 0.00 H new ATOM 0 H73 DT A 9 -3.774 13.962 31.405 1.00 0.00 H new ATOM 0 H6 DT A 9 -2.755 11.806 28.668 1.00 0.00 H new ATOM 284 P DA A 10 -0.007 8.710 24.021 1.00 0.00 P ATOM 285 OP1 DA A 10 0.871 8.359 25.166 1.00 0.00 O ATOM 286 OP2 DA A 10 0.597 8.928 22.684 1.00 0.00 O ATOM 287 O5' DA A 10 -1.165 7.607 23.897 1.00 0.00 O ATOM 288 C5' DA A 10 -0.828 6.223 24.004 1.00 0.00 C ATOM 289 C4' DA A 10 -1.589 5.348 23.013 1.00 0.00 C ATOM 290 O4' DA A 10 -2.826 5.988 22.615 1.00 0.00 O ATOM 291 C3' DA A 10 -0.751 5.141 21.758 1.00 0.00 C ATOM 292 O3' DA A 10 -0.984 3.853 21.184 1.00 0.00 O ATOM 293 C2' DA A 10 -1.231 6.219 20.851 1.00 0.00 C ATOM 294 C1' DA A 10 -2.663 6.481 21.278 1.00 0.00 C ATOM 295 N9 DA A 10 -3.065 7.894 21.210 1.00 0.00 N ATOM 296 C8 DA A 10 -2.307 9.005 21.283 1.00 0.00 C ATOM 297 N7 DA A 10 -2.908 10.143 21.354 1.00 0.00 N ATOM 298 C5 DA A 10 -4.245 9.752 21.344 1.00 0.00 C ATOM 299 C6 DA A 10 -5.440 10.473 21.394 1.00 0.00 C ATOM 300 N6 DA A 10 -5.482 11.802 21.435 1.00 0.00 N ATOM 301 N1 DA A 10 -6.587 9.774 21.365 1.00 0.00 N ATOM 302 C2 DA A 10 -6.563 8.443 21.290 1.00 0.00 C ATOM 303 N3 DA A 10 -5.489 7.660 21.234 1.00 0.00 N ATOM 304 C4 DA A 10 -4.352 8.386 21.266 1.00 0.00 C ATOM 0 H5' DA A 10 -1.037 5.881 25.018 1.00 0.00 H new ATOM 0 H5'' DA A 10 0.243 6.101 23.841 1.00 0.00 H new ATOM 0 H4' DA A 10 -1.800 4.396 23.499 1.00 0.00 H new ATOM 0 H3' DA A 10 0.321 5.183 21.952 1.00 0.00 H new ATOM 0 H2' DA A 10 -0.620 7.117 20.946 1.00 0.00 H new ATOM 0 H2'' DA A 10 -1.181 5.909 19.807 1.00 0.00 H new ATOM 0 H1' DA A 10 -3.313 5.963 20.573 1.00 0.00 H new ATOM 0 H8 DA A 10 -1.229 8.944 21.282 1.00 0.00 H new ATOM 0 H61 DA A 10 -6.381 12.283 21.471 1.00 0.00 H new ATOM 0 H62 DA A 10 -4.615 12.340 21.431 1.00 0.00 H new ATOM 0 H2 DA A 10 -7.521 7.946 21.273 1.00 0.00 H new ATOM 316 P DT A 11 -0.236 3.423 19.832 1.00 0.00 P ATOM 317 OP1 DT A 11 0.285 2.043 19.990 1.00 0.00 O ATOM 318 OP2 DT A 11 0.689 4.512 19.423 1.00 0.00 O ATOM 319 O5' DT A 11 -1.488 3.399 18.827 1.00 0.00 O ATOM 320 C5' DT A 11 -2.734 2.841 19.258 1.00 0.00 C ATOM 321 C4' DT A 11 -3.918 3.313 18.428 1.00 0.00 C ATOM 322 O4' DT A 11 -3.999 4.762 18.379 1.00 0.00 O ATOM 323 C3' DT A 11 -3.823 2.808 16.995 1.00 0.00 C ATOM 324 O3' DT A 11 -5.016 2.112 16.621 1.00 0.00 O ATOM 325 C2' DT A 11 -3.620 4.040 16.162 1.00 0.00 C ATOM 326 C1' DT A 11 -4.114 5.193 17.003 1.00 0.00 C ATOM 327 N1 DT A 11 -3.332 6.429 16.762 1.00 0.00 N ATOM 328 C2 DT A 11 -4.036 7.564 16.410 1.00 0.00 C ATOM 329 O2 DT A 11 -5.258 7.560 16.269 1.00 0.00 O ATOM 330 N3 DT A 11 -3.287 8.709 16.225 1.00 0.00 N ATOM 331 C4 DT A 11 -1.915 8.818 16.363 1.00 0.00 C ATOM 332 O4 DT A 11 -1.352 9.899 16.197 1.00 0.00 O ATOM 333 C5 DT A 11 -1.261 7.581 16.725 1.00 0.00 C ATOM 334 C7 DT A 11 0.254 7.557 16.899 1.00 0.00 C ATOM 335 C6 DT A 11 -1.969 6.450 16.910 1.00 0.00 C ATOM 0 H5' DT A 11 -2.902 3.105 20.302 1.00 0.00 H new ATOM 0 H5'' DT A 11 -2.674 1.754 19.210 1.00 0.00 H new ATOM 0 H4' DT A 11 -4.807 2.910 18.914 1.00 0.00 H new ATOM 0 H3' DT A 11 -3.009 2.095 16.861 1.00 0.00 H new ATOM 0 H2' DT A 11 -2.569 4.168 15.903 1.00 0.00 H new ATOM 0 H2'' DT A 11 -4.174 3.974 15.225 1.00 0.00 H new ATOM 0 H1' DT A 11 -5.144 5.444 16.748 1.00 0.00 H new ATOM 0 H3 DT A 11 -3.793 9.554 15.962 1.00 0.00 H new ATOM 0 H71 DT A 11 0.524 6.801 17.636 1.00 0.00 H new ATOM 0 H72 DT A 11 0.726 7.319 15.946 1.00 0.00 H new ATOM 0 H73 DT A 11 0.597 8.534 17.239 1.00 0.00 H new ATOM 0 H6 DT A 11 -1.452 5.541 17.180 1.00 0.00 H new ATOM 348 P DA A 12 -5.138 1.413 15.182 1.00 0.00 P ATOM 349 OP1 DA A 12 -6.048 0.246 15.290 1.00 0.00 O ATOM 350 OP2 DA A 12 -3.777 1.226 14.617 1.00 0.00 O ATOM 351 O5' DA A 12 -5.884 2.579 14.375 1.00 0.00 O ATOM 352 C5' DA A 12 -7.006 3.256 14.954 1.00 0.00 C ATOM 353 C4' DA A 12 -7.683 4.192 13.968 1.00 0.00 C ATOM 354 O4' DA A 12 -7.069 5.507 14.003 1.00 0.00 O ATOM 355 C3' DA A 12 -7.548 3.662 12.547 1.00 0.00 C ATOM 356 O3' DA A 12 -8.789 3.740 11.842 1.00 0.00 O ATOM 357 C2' DA A 12 -6.523 4.544 11.913 1.00 0.00 C ATOM 358 C1' DA A 12 -6.547 5.834 12.694 1.00 0.00 C ATOM 359 N9 DA A 12 -5.201 6.439 12.788 1.00 0.00 N ATOM 360 C8 DA A 12 -4.001 5.867 13.066 1.00 0.00 C ATOM 361 N7 DA A 12 -2.965 6.638 13.094 1.00 0.00 N ATOM 362 C5 DA A 12 -3.531 7.883 12.799 1.00 0.00 C ATOM 363 C6 DA A 12 -2.988 9.167 12.665 1.00 0.00 C ATOM 364 N6 DA A 12 -1.689 9.436 12.822 1.00 0.00 N ATOM 365 N1 DA A 12 -3.834 10.167 12.368 1.00 0.00 N ATOM 366 C2 DA A 12 -5.133 9.929 12.210 1.00 0.00 C ATOM 367 N3 DA A 12 -5.755 8.758 12.312 1.00 0.00 N ATOM 368 C4 DA A 12 -4.889 7.769 12.611 1.00 0.00 C ATOM 0 H5' DA A 12 -6.676 3.824 15.824 1.00 0.00 H new ATOM 0 H5'' DA A 12 -7.728 2.521 15.309 1.00 0.00 H new ATOM 0 H4' DA A 12 -8.733 4.256 14.253 1.00 0.00 H new ATOM 0 H3' DA A 12 -7.262 2.610 12.531 1.00 0.00 H new ATOM 0 H2' DA A 12 -5.536 4.084 11.949 1.00 0.00 H new ATOM 0 H2'' DA A 12 -6.755 4.719 10.862 1.00 0.00 H new ATOM 0 H1' DA A 12 -7.171 6.576 12.197 1.00 0.00 H new ATOM 0 H8 DA A 12 -3.916 4.807 13.257 1.00 0.00 H new ATOM 0 H61 DA A 12 -1.349 10.391 12.712 1.00 0.00 H new ATOM 0 H62 DA A 12 -1.037 8.686 13.052 1.00 0.00 H new ATOM 0 H2 DA A 12 -5.752 10.782 11.972 1.00 0.00 H new ATOM 380 P DG A 13 -8.885 3.253 10.314 1.00 0.00 P ATOM 381 OP1 DG A 13 -10.185 2.566 10.107 1.00 0.00 O ATOM 382 OP2 DG A 13 -7.626 2.550 9.955 1.00 0.00 O ATOM 383 O5' DG A 13 -8.919 4.673 9.567 1.00 0.00 O ATOM 384 C5' DG A 13 -9.761 5.732 10.046 1.00 0.00 C ATOM 385 C4' DG A 13 -9.627 7.003 9.219 1.00 0.00 C ATOM 386 O4' DG A 13 -8.386 7.690 9.525 1.00 0.00 O ATOM 387 C3' DG A 13 -9.616 6.682 7.733 1.00 0.00 C ATOM 388 O3' DG A 13 -10.459 7.582 7.000 1.00 0.00 O ATOM 389 C2' DG A 13 -8.188 6.840 7.325 1.00 0.00 C ATOM 390 C1' DG A 13 -7.571 7.779 8.332 1.00 0.00 C ATOM 391 N9 DG A 13 -6.171 7.414 8.624 1.00 0.00 N ATOM 392 C8 DG A 13 -5.639 6.201 8.917 1.00 0.00 C ATOM 393 N7 DG A 13 -4.380 6.149 9.188 1.00 0.00 N ATOM 394 C5 DG A 13 -4.007 7.489 9.058 1.00 0.00 C ATOM 395 C6 DG A 13 -2.738 8.096 9.226 1.00 0.00 C ATOM 396 O6 DG A 13 -1.671 7.567 9.530 1.00 0.00 O ATOM 397 N1 DG A 13 -2.796 9.460 9.001 1.00 0.00 N ATOM 398 C2 DG A 13 -3.927 10.166 8.650 1.00 0.00 C ATOM 399 N2 DG A 13 -3.767 11.476 8.457 1.00 0.00 N ATOM 400 N3 DG A 13 -5.129 9.606 8.492 1.00 0.00 N ATOM 401 C4 DG A 13 -5.099 8.270 8.708 1.00 0.00 C ATOM 0 H5' DG A 13 -9.510 5.950 11.084 1.00 0.00 H new ATOM 0 H5'' DG A 13 -10.799 5.401 10.032 1.00 0.00 H new ATOM 0 H4' DG A 13 -10.481 7.634 9.465 1.00 0.00 H new ATOM 0 H3' DG A 13 -9.999 5.682 7.528 1.00 0.00 H new ATOM 0 H2' DG A 13 -7.674 5.879 7.322 1.00 0.00 H new ATOM 0 H2'' DG A 13 -8.113 7.245 6.316 1.00 0.00 H new ATOM 0 H1' DG A 13 -7.545 8.797 7.944 1.00 0.00 H new ATOM 0 H8 DG A 13 -6.249 5.310 8.923 1.00 0.00 H new ATOM 0 H1 DG A 13 -1.929 9.988 9.103 1.00 0.00 H new ATOM 0 H21 DG A 13 -4.566 12.054 8.195 1.00 0.00 H new ATOM 0 H22 DG A 13 -2.846 11.900 8.571 1.00 0.00 H new ATOM 413 P DG A 14 -10.637 7.422 5.412 1.00 0.00 P ATOM 414 OP1 DG A 14 -12.049 7.708 5.055 1.00 0.00 O ATOM 415 OP2 DG A 14 -10.028 6.136 4.989 1.00 0.00 O ATOM 416 O5' DG A 14 -9.712 8.633 4.895 1.00 0.00 O ATOM 417 C5' DG A 14 -9.899 9.962 5.404 1.00 0.00 C ATOM 418 C4' DG A 14 -8.914 10.964 4.811 1.00 0.00 C ATOM 419 O4' DG A 14 -7.590 10.796 5.381 1.00 0.00 O ATOM 420 C3' DG A 14 -8.788 10.784 3.304 1.00 0.00 C ATOM 421 O3' DG A 14 -8.862 12.042 2.622 1.00 0.00 O ATOM 422 C2' DG A 14 -7.446 10.159 3.108 1.00 0.00 C ATOM 423 C1' DG A 14 -6.638 10.533 4.323 1.00 0.00 C ATOM 424 N9 DG A 14 -5.703 9.454 4.695 1.00 0.00 N ATOM 425 C8 DG A 14 -5.930 8.127 4.851 1.00 0.00 C ATOM 426 N7 DG A 14 -4.936 7.387 5.204 1.00 0.00 N ATOM 427 C5 DG A 14 -3.906 8.324 5.295 1.00 0.00 C ATOM 428 C6 DG A 14 -2.544 8.144 5.641 1.00 0.00 C ATOM 429 O6 DG A 14 -1.963 7.106 5.950 1.00 0.00 O ATOM 430 N1 DG A 14 -1.851 9.343 5.609 1.00 0.00 N ATOM 431 C2 DG A 14 -2.390 10.569 5.286 1.00 0.00 C ATOM 432 N2 DG A 14 -1.554 11.606 5.311 1.00 0.00 N ATOM 433 N3 DG A 14 -3.671 10.750 4.960 1.00 0.00 N ATOM 434 C4 DG A 14 -4.369 9.593 4.984 1.00 0.00 C ATOM 0 H5' DG A 14 -9.790 9.950 6.488 1.00 0.00 H new ATOM 0 H5'' DG A 14 -10.917 10.289 5.190 1.00 0.00 H new ATOM 0 H4' DG A 14 -9.303 11.956 5.042 1.00 0.00 H new ATOM 0 H3' DG A 14 -9.596 10.174 2.900 1.00 0.00 H new ATOM 0 H2' DG A 14 -7.529 9.076 3.012 1.00 0.00 H new ATOM 0 H2'' DG A 14 -6.974 10.525 2.196 1.00 0.00 H new ATOM 0 H1' DG A 14 -6.022 11.411 4.129 1.00 0.00 H new ATOM 0 H8 DG A 14 -6.910 7.704 4.685 1.00 0.00 H new ATOM 0 H1 DG A 14 -0.859 9.316 5.844 1.00 0.00 H new ATOM 0 H21 DG A 14 -1.893 12.540 5.081 1.00 0.00 H new ATOM 0 H22 DG A 14 -0.575 11.466 5.560 1.00 0.00 H new ATOM 446 P DA A 15 -8.726 12.114 1.023 1.00 0.00 P ATOM 447 OP1 DA A 15 -9.595 13.203 0.511 1.00 0.00 O ATOM 448 OP2 DA A 15 -8.872 10.747 0.463 1.00 0.00 O ATOM 449 O5' DA A 15 -7.188 12.570 0.890 1.00 0.00 O ATOM 450 C5' DA A 15 -6.736 13.791 1.494 1.00 0.00 C ATOM 451 C4' DA A 15 -5.268 14.088 1.209 1.00 0.00 C ATOM 452 O4' DA A 15 -4.398 13.168 1.918 1.00 0.00 O ATOM 453 C3' DA A 15 -4.960 13.953 -0.278 1.00 0.00 C ATOM 454 O3' DA A 15 -4.219 15.082 -0.755 1.00 0.00 O ATOM 455 C2' DA A 15 -4.147 12.704 -0.385 1.00 0.00 C ATOM 456 C1' DA A 15 -3.533 12.496 0.975 1.00 0.00 C ATOM 457 N9 DA A 15 -3.403 11.062 1.289 1.00 0.00 N ATOM 458 C8 DA A 15 -4.323 10.071 1.212 1.00 0.00 C ATOM 459 N7 DA A 15 -3.951 8.884 1.558 1.00 0.00 N ATOM 460 C5 DA A 15 -2.616 9.101 1.911 1.00 0.00 C ATOM 461 C6 DA A 15 -1.605 8.255 2.376 1.00 0.00 C ATOM 462 N6 DA A 15 -1.775 6.951 2.589 1.00 0.00 N ATOM 463 N1 DA A 15 -0.407 8.806 2.622 1.00 0.00 N ATOM 464 C2 DA A 15 -0.205 10.108 2.424 1.00 0.00 C ATOM 465 N3 DA A 15 -1.084 10.998 1.987 1.00 0.00 N ATOM 466 C4 DA A 15 -2.278 10.425 1.747 1.00 0.00 C ATOM 0 H5' DA A 15 -6.887 13.734 2.572 1.00 0.00 H new ATOM 0 H5'' DA A 15 -7.346 14.618 1.130 1.00 0.00 H new ATOM 0 H4' DA A 15 -5.088 15.110 1.543 1.00 0.00 H new ATOM 0 H3' DA A 15 -5.867 13.910 -0.880 1.00 0.00 H new ATOM 0 H2' DA A 15 -4.770 11.855 -0.667 1.00 0.00 H new ATOM 0 H2'' DA A 15 -3.377 12.803 -1.151 1.00 0.00 H new ATOM 0 H1' DA A 15 -2.523 12.903 1.016 1.00 0.00 H new ATOM 0 H8 DA A 15 -5.330 10.266 0.874 1.00 0.00 H new ATOM 0 H61 DA A 15 -0.998 6.384 2.929 1.00 0.00 H new ATOM 0 H62 DA A 15 -2.682 6.519 2.412 1.00 0.00 H new ATOM 0 H2 DA A 15 0.785 10.479 2.644 1.00 0.00 H new ATOM 478 P DT A 16 -3.747 15.159 -2.290 1.00 0.00 P ATOM 479 OP1 DT A 16 -3.818 16.571 -2.746 1.00 0.00 O ATOM 480 OP2 DT A 16 -4.456 14.111 -3.065 1.00 0.00 O ATOM 481 O5' DT A 16 -2.202 14.738 -2.132 1.00 0.00 O ATOM 482 C5' DT A 16 -1.378 15.373 -1.142 1.00 0.00 C ATOM 483 C4' DT A 16 0.063 14.872 -1.153 1.00 0.00 C ATOM 484 O4' DT A 16 0.170 13.562 -0.537 1.00 0.00 O ATOM 485 C3' DT A 16 0.609 14.760 -2.572 1.00 0.00 C ATOM 486 O3' DT A 16 1.868 15.435 -2.696 1.00 0.00 O ATOM 487 C2' DT A 16 0.759 13.287 -2.810 1.00 0.00 C ATOM 488 C1' DT A 16 0.837 12.654 -1.442 1.00 0.00 C ATOM 489 N1 DT A 16 0.204 11.316 -1.420 1.00 0.00 N ATOM 490 C2 DT A 16 0.969 10.261 -0.957 1.00 0.00 C ATOM 491 O2 DT A 16 2.130 10.411 -0.580 1.00 0.00 O ATOM 492 N3 DT A 16 0.354 9.024 -0.942 1.00 0.00 N ATOM 493 C4 DT A 16 -0.937 8.749 -1.348 1.00 0.00 C ATOM 494 O4 DT A 16 -1.375 7.602 -1.298 1.00 0.00 O ATOM 495 C5 DT A 16 -1.663 9.908 -1.817 1.00 0.00 C ATOM 496 C7 DT A 16 -3.101 9.751 -2.296 1.00 0.00 C ATOM 497 C6 DT A 16 -1.087 11.128 -1.839 1.00 0.00 C ATOM 0 H5' DT A 16 -1.808 15.202 -0.155 1.00 0.00 H new ATOM 0 H5'' DT A 16 -1.383 16.450 -1.310 1.00 0.00 H new ATOM 0 H4' DT A 16 0.642 15.603 -0.589 1.00 0.00 H new ATOM 0 H3' DT A 16 -0.052 15.227 -3.303 1.00 0.00 H new ATOM 0 H2' DT A 16 -0.087 12.894 -3.375 1.00 0.00 H new ATOM 0 H2'' DT A 16 1.657 13.074 -3.391 1.00 0.00 H new ATOM 0 HO3' DT A 16 2.197 15.347 -3.615 1.00 0.00 H new ATOM 0 H1' DT A 16 1.875 12.495 -1.149 1.00 0.00 H new ATOM 0 H3 DT A 16 0.906 8.239 -0.598 1.00 0.00 H new ATOM 0 H71 DT A 16 -3.238 8.754 -2.714 1.00 0.00 H new ATOM 0 H72 DT A 16 -3.781 9.889 -1.456 1.00 0.00 H new ATOM 0 H73 DT A 16 -3.313 10.498 -3.061 1.00 0.00 H new ATOM 0 H6 DT A 16 -1.656 11.975 -2.194 1.00 0.00 H new TER 511 DT A 16