USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.269 (180deg=-0.269) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 DG O5' : rot 180:sc= 0 USER MOD Single : B 10 DT C7 :methyl 150:sc= -0.0125 (180deg=-0.0125) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl 150:sc= -0.325 (180deg=-0.325) USER MOD Single : B 16 DC O3' : rot -85:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 2.745 -8.509 -11.580 1.00 0.00 O ATOM 2 C5' DG A 1 3.744 -8.742 -12.547 1.00 0.00 C ATOM 3 C4' DG A 1 5.117 -8.157 -12.183 1.00 0.00 C ATOM 4 O4' DG A 1 5.109 -6.746 -12.319 1.00 0.00 O ATOM 5 C3' DG A 1 5.566 -8.492 -10.767 1.00 0.00 C ATOM 6 O3' DG A 1 6.976 -8.652 -10.749 1.00 0.00 O ATOM 7 C2' DG A 1 5.129 -7.245 -10.024 1.00 0.00 C ATOM 8 C1' DG A 1 5.347 -6.149 -11.056 1.00 0.00 C ATOM 9 N9 DG A 1 4.364 -5.078 -10.863 1.00 0.00 N ATOM 10 C8 DG A 1 3.014 -5.197 -10.969 1.00 0.00 C ATOM 11 N7 DG A 1 2.362 -4.075 -10.832 1.00 0.00 N ATOM 12 C5 DG A 1 3.371 -3.142 -10.593 1.00 0.00 C ATOM 13 C6 DG A 1 3.308 -1.735 -10.362 1.00 0.00 C ATOM 14 O6 DG A 1 2.327 -0.997 -10.407 1.00 0.00 O ATOM 15 N1 DG A 1 4.547 -1.188 -10.063 1.00 0.00 N ATOM 16 C2 DG A 1 5.728 -1.890 -10.064 1.00 0.00 C ATOM 17 N2 DG A 1 6.842 -1.271 -9.691 1.00 0.00 N ATOM 18 N3 DG A 1 5.806 -3.191 -10.338 1.00 0.00 N ATOM 19 C4 DG A 1 4.599 -3.759 -10.583 1.00 0.00 C ATOM 0 H5' DG A 1 3.421 -8.318 -13.498 1.00 0.00 H new ATOM 0 H5'' DG A 1 3.847 -9.817 -12.696 1.00 0.00 H new ATOM 0 H4' DG A 1 5.820 -8.616 -12.878 1.00 0.00 H new ATOM 0 H3' DG A 1 5.160 -9.411 -10.345 1.00 0.00 H new ATOM 0 H2' DG A 1 4.087 -7.305 -9.710 1.00 0.00 H new ATOM 0 H2'' DG A 1 5.723 -7.080 -9.125 1.00 0.00 H new ATOM 0 HO5' DG A 1 1.901 -8.907 -11.879 1.00 0.00 H new ATOM 0 H1' DG A 1 6.349 -5.729 -10.973 1.00 0.00 H new ATOM 0 H8 DG A 1 2.522 -6.141 -11.151 1.00 0.00 H new ATOM 0 H1 DG A 1 4.584 -0.197 -9.826 1.00 0.00 H new ATOM 0 H21 DG A 1 7.728 -1.776 -9.685 1.00 0.00 H new ATOM 0 H22 DG A 1 6.811 -0.291 -9.410 1.00 0.00 H new ATOM 20 P DT A 2 7.782 -9.064 -9.412 1.00 0.00 P ATOM 21 OP1 DT A 2 9.133 -9.523 -9.806 1.00 0.00 O ATOM 22 OP2 DT A 2 6.913 -9.947 -8.606 1.00 0.00 O ATOM 23 O5' DT A 2 7.946 -7.668 -8.623 1.00 0.00 O ATOM 24 C5' DT A 2 8.849 -6.673 -9.068 1.00 0.00 C ATOM 25 C4' DT A 2 8.878 -5.447 -8.141 1.00 0.00 C ATOM 26 O4' DT A 2 7.700 -4.664 -8.259 1.00 0.00 O ATOM 27 C3' DT A 2 9.010 -5.795 -6.650 1.00 0.00 C ATOM 28 O3' DT A 2 10.232 -5.470 -5.982 1.00 0.00 O ATOM 29 C2' DT A 2 7.757 -5.199 -6.018 1.00 0.00 C ATOM 30 C1' DT A 2 7.429 -4.075 -6.998 1.00 0.00 C ATOM 31 N1 DT A 2 6.019 -3.625 -6.945 1.00 0.00 N ATOM 32 C2 DT A 2 5.729 -2.263 -6.843 1.00 0.00 C ATOM 33 O2 DT A 2 6.574 -1.397 -6.638 1.00 0.00 O ATOM 34 N3 DT A 2 4.404 -1.906 -6.988 1.00 0.00 N ATOM 35 C4 DT A 2 3.352 -2.782 -7.147 1.00 0.00 C ATOM 36 O4 DT A 2 2.206 -2.349 -7.227 1.00 0.00 O ATOM 37 C5 DT A 2 3.724 -4.182 -7.218 1.00 0.00 C ATOM 38 C7 DT A 2 2.644 -5.234 -7.382 1.00 0.00 C ATOM 39 C6 DT A 2 5.025 -4.546 -7.121 1.00 0.00 C ATOM 0 H5' DT A 2 8.570 -6.358 -10.073 1.00 0.00 H new ATOM 0 H5'' DT A 2 9.850 -7.099 -9.133 1.00 0.00 H new ATOM 0 H4' DT A 2 9.762 -4.900 -8.470 1.00 0.00 H new ATOM 0 H3' DT A 2 9.078 -6.877 -6.536 1.00 0.00 H new ATOM 0 H2' DT A 2 6.949 -5.927 -5.943 1.00 0.00 H new ATOM 0 H2'' DT A 2 7.943 -4.825 -5.011 1.00 0.00 H new ATOM 0 H1' DT A 2 8.007 -3.178 -6.774 1.00 0.00 H new ATOM 0 H3 DT A 2 4.185 -0.910 -6.977 1.00 0.00 H new ATOM 0 H71 DT A 2 3.047 -6.087 -7.928 1.00 0.00 H new ATOM 0 H72 DT A 2 2.302 -5.560 -6.400 1.00 0.00 H new ATOM 0 H73 DT A 2 1.806 -4.812 -7.936 1.00 0.00 H new ATOM 0 H6 DT A 2 5.284 -5.593 -7.184 1.00 0.00 H new ATOM 40 P DA A 3 10.982 -4.024 -5.943 1.00 0.00 P ATOM 41 OP1 DA A 3 11.109 -3.489 -7.313 1.00 0.00 O ATOM 42 OP2 DA A 3 12.215 -4.212 -5.147 1.00 0.00 O ATOM 43 O5' DA A 3 10.031 -3.017 -5.123 1.00 0.00 O ATOM 44 C5' DA A 3 9.889 -3.105 -3.721 1.00 0.00 C ATOM 45 C4' DA A 3 9.433 -1.759 -3.146 1.00 0.00 C ATOM 46 O4' DA A 3 8.193 -1.322 -3.687 1.00 0.00 O ATOM 47 C3' DA A 3 9.256 -1.892 -1.638 1.00 0.00 C ATOM 48 O3' DA A 3 9.775 -0.726 -1.030 1.00 0.00 O ATOM 49 C2' DA A 3 7.744 -2.003 -1.536 1.00 0.00 C ATOM 50 C1' DA A 3 7.286 -1.048 -2.632 1.00 0.00 C ATOM 51 N9 DA A 3 5.926 -1.383 -3.097 1.00 0.00 N ATOM 52 C8 DA A 3 5.526 -2.596 -3.570 1.00 0.00 C ATOM 53 N7 DA A 3 4.298 -2.642 -4.007 1.00 0.00 N ATOM 54 C5 DA A 3 3.858 -1.333 -3.825 1.00 0.00 C ATOM 55 C6 DA A 3 2.648 -0.677 -4.120 1.00 0.00 C ATOM 56 N6 DA A 3 1.628 -1.285 -4.720 1.00 0.00 N ATOM 57 N1 DA A 3 2.515 0.622 -3.817 1.00 0.00 N ATOM 58 C2 DA A 3 3.539 1.250 -3.249 1.00 0.00 C ATOM 59 N3 DA A 3 4.732 0.758 -2.932 1.00 0.00 N ATOM 60 C4 DA A 3 4.836 -0.556 -3.257 1.00 0.00 C ATOM 0 H5' DA A 3 10.837 -3.398 -3.270 1.00 0.00 H new ATOM 0 H5'' DA A 3 9.164 -3.879 -3.470 1.00 0.00 H new ATOM 0 H4' DA A 3 10.200 -1.029 -3.405 1.00 0.00 H new ATOM 0 H3' DA A 3 9.764 -2.724 -1.150 1.00 0.00 H new ATOM 0 H2' DA A 3 7.396 -3.021 -1.710 1.00 0.00 H new ATOM 0 H2'' DA A 3 7.378 -1.704 -0.554 1.00 0.00 H new ATOM 0 H1' DA A 3 7.268 -0.011 -2.295 1.00 0.00 H new ATOM 0 H8 DA A 3 6.178 -3.457 -3.582 1.00 0.00 H new ATOM 0 H61 DA A 3 0.770 -0.769 -4.914 1.00 0.00 H new ATOM 0 H62 DA A 3 1.704 -2.267 -4.986 1.00 0.00 H new ATOM 0 H2 DA A 3 3.382 2.293 -3.015 1.00 0.00 H new ATOM 61 P DT A 4 9.773 -0.517 0.561 1.00 0.00 P ATOM 62 OP1 DT A 4 10.952 0.302 0.916 1.00 0.00 O ATOM 63 OP2 DT A 4 9.567 -1.834 1.204 1.00 0.00 O ATOM 64 O5' DT A 4 8.446 0.366 0.777 1.00 0.00 O ATOM 65 C5' DT A 4 8.401 1.721 0.364 1.00 0.00 C ATOM 66 C4' DT A 4 7.067 2.378 0.738 1.00 0.00 C ATOM 67 O4' DT A 4 6.017 1.819 -0.037 1.00 0.00 O ATOM 68 C3' DT A 4 6.698 2.216 2.220 1.00 0.00 C ATOM 69 O3' DT A 4 6.102 3.370 2.777 1.00 0.00 O ATOM 70 C2' DT A 4 5.613 1.183 2.109 1.00 0.00 C ATOM 71 C1' DT A 4 4.922 1.638 0.830 1.00 0.00 C ATOM 72 N1 DT A 4 3.974 0.639 0.286 1.00 0.00 N ATOM 73 C2 DT A 4 2.737 1.070 -0.178 1.00 0.00 C ATOM 74 O2 DT A 4 2.360 2.237 -0.135 1.00 0.00 O ATOM 75 N3 DT A 4 1.913 0.100 -0.707 1.00 0.00 N ATOM 76 C4 DT A 4 2.210 -1.239 -0.833 1.00 0.00 C ATOM 77 O4 DT A 4 1.410 -1.994 -1.377 1.00 0.00 O ATOM 78 C5 DT A 4 3.527 -1.610 -0.348 1.00 0.00 C ATOM 79 C7 DT A 4 3.983 -3.053 -0.444 1.00 0.00 C ATOM 80 C6 DT A 4 4.351 -0.671 0.179 1.00 0.00 C ATOM 0 H5' DT A 4 8.547 1.779 -0.715 1.00 0.00 H new ATOM 0 H5'' DT A 4 9.221 2.271 0.826 1.00 0.00 H new ATOM 0 H4' DT A 4 7.193 3.442 0.537 1.00 0.00 H new ATOM 0 H3' DT A 4 7.566 1.991 2.839 1.00 0.00 H new ATOM 0 H2' DT A 4 6.011 0.172 2.027 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.942 1.193 2.968 1.00 0.00 H new ATOM 0 H1' DT A 4 4.303 2.523 0.980 1.00 0.00 H new ATOM 0 H3 DT A 4 0.996 0.402 -1.036 1.00 0.00 H new ATOM 0 H71 DT A 4 5.067 -3.085 -0.558 1.00 0.00 H new ATOM 0 H72 DT A 4 3.697 -3.586 0.463 1.00 0.00 H new ATOM 0 H73 DT A 4 3.513 -3.526 -1.306 1.00 0.00 H new ATOM 0 H6 DT A 4 5.331 -0.966 0.523 1.00 0.00 H new ATOM 81 P DA A 5 6.952 4.546 3.455 1.00 0.00 P ATOM 82 OP1 DA A 5 7.868 5.128 2.448 1.00 0.00 O ATOM 83 OP2 DA A 5 7.483 4.050 4.742 1.00 0.00 O ATOM 84 O5' DA A 5 5.769 5.593 3.762 1.00 0.00 O ATOM 85 C5' DA A 5 5.409 6.596 2.831 1.00 0.00 C ATOM 86 C4' DA A 5 3.911 6.922 2.904 1.00 0.00 C ATOM 87 O4' DA A 5 3.195 5.817 2.386 1.00 0.00 O ATOM 88 C3' DA A 5 3.406 7.201 4.325 1.00 0.00 C ATOM 89 O3' DA A 5 2.833 8.490 4.544 1.00 0.00 O ATOM 90 C2' DA A 5 2.497 6.029 4.624 1.00 0.00 C ATOM 91 C1' DA A 5 2.122 5.485 3.242 1.00 0.00 C ATOM 92 N9 DA A 5 2.040 4.011 3.234 1.00 0.00 N ATOM 93 C8 DA A 5 3.008 3.138 3.661 1.00 0.00 C ATOM 94 N7 DA A 5 2.720 1.881 3.476 1.00 0.00 N ATOM 95 C5 DA A 5 1.503 1.933 2.818 1.00 0.00 C ATOM 96 C6 DA A 5 0.688 0.928 2.286 1.00 0.00 C ATOM 97 N6 DA A 5 1.033 -0.353 2.395 1.00 0.00 N ATOM 98 N1 DA A 5 -0.439 1.266 1.645 1.00 0.00 N ATOM 99 C2 DA A 5 -0.753 2.558 1.567 1.00 0.00 C ATOM 100 N3 DA A 5 -0.081 3.602 2.043 1.00 0.00 N ATOM 101 C4 DA A 5 1.073 3.221 2.650 1.00 0.00 C ATOM 0 H5' DA A 5 5.662 6.266 1.823 1.00 0.00 H new ATOM 0 H5'' DA A 5 5.988 7.499 3.025 1.00 0.00 H new ATOM 0 H4' DA A 5 3.753 7.834 2.328 1.00 0.00 H new ATOM 0 H3' DA A 5 4.233 7.267 5.032 1.00 0.00 H new ATOM 0 H2' DA A 5 3.004 5.274 5.225 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.615 6.341 5.182 1.00 0.00 H new ATOM 0 H1' DA A 5 1.158 5.900 2.947 1.00 0.00 H new ATOM 0 H8 DA A 5 3.932 3.466 4.113 1.00 0.00 H new ATOM 0 H61 DA A 5 0.432 -1.078 2.004 1.00 0.00 H new ATOM 0 H62 DA A 5 1.899 -0.609 2.870 1.00 0.00 H new ATOM 0 H2 DA A 5 -1.673 2.788 1.050 1.00 0.00 H new ATOM 102 P DT A 6 1.500 9.062 3.816 1.00 0.00 P ATOM 103 OP1 DT A 6 1.586 8.799 2.363 1.00 0.00 O ATOM 104 OP2 DT A 6 1.297 10.452 4.278 1.00 0.00 O ATOM 105 O5' DT A 6 0.306 8.166 4.418 1.00 0.00 O ATOM 106 C5' DT A 6 -0.980 8.205 3.839 1.00 0.00 C ATOM 107 C4' DT A 6 -1.925 7.181 4.472 1.00 0.00 C ATOM 108 O4' DT A 6 -1.458 5.858 4.329 1.00 0.00 O ATOM 109 C3' DT A 6 -2.220 7.400 5.961 1.00 0.00 C ATOM 110 O3' DT A 6 -3.599 7.486 6.231 1.00 0.00 O ATOM 111 C2' DT A 6 -1.845 6.069 6.580 1.00 0.00 C ATOM 112 C1' DT A 6 -2.038 5.127 5.383 1.00 0.00 C ATOM 113 N1 DT A 6 -1.363 3.813 5.452 1.00 0.00 N ATOM 114 C2 DT A 6 -1.969 2.712 4.851 1.00 0.00 C ATOM 115 O2 DT A 6 -3.080 2.745 4.333 1.00 0.00 O ATOM 116 N3 DT A 6 -1.264 1.527 4.891 1.00 0.00 N ATOM 117 C4 DT A 6 -0.034 1.339 5.491 1.00 0.00 C ATOM 118 O4 DT A 6 0.482 0.226 5.483 1.00 0.00 O ATOM 119 C5 DT A 6 0.562 2.546 6.034 1.00 0.00 C ATOM 120 C7 DT A 6 1.918 2.484 6.712 1.00 0.00 C ATOM 121 C6 DT A 6 -0.104 3.724 5.971 1.00 0.00 C ATOM 0 H5' DT A 6 -0.902 8.013 2.769 1.00 0.00 H new ATOM 0 H5'' DT A 6 -1.399 9.205 3.954 1.00 0.00 H new ATOM 0 H4' DT A 6 -2.849 7.335 3.915 1.00 0.00 H new ATOM 0 H3' DT A 6 -1.714 8.301 6.309 1.00 0.00 H new ATOM 0 H2' DT A 6 -0.820 6.060 6.951 1.00 0.00 H new ATOM 0 H2'' DT A 6 -2.490 5.808 7.419 1.00 0.00 H new ATOM 0 H1' DT A 6 -3.093 4.868 5.301 1.00 0.00 H new ATOM 0 H3 DT A 6 -1.688 0.718 4.437 1.00 0.00 H new ATOM 0 H71 DT A 6 2.435 3.434 6.579 1.00 0.00 H new ATOM 0 H72 DT A 6 1.784 2.290 7.776 1.00 0.00 H new ATOM 0 H73 DT A 6 2.510 1.683 6.269 1.00 0.00 H new ATOM 0 H6 DT A 6 0.375 4.618 6.342 1.00 0.00 H new ATOM 122 P DA A 7 -4.459 8.801 5.987 1.00 0.00 P ATOM 123 OP1 DA A 7 -4.630 9.020 4.534 1.00 0.00 O ATOM 124 OP2 DA A 7 -3.938 9.883 6.850 1.00 0.00 O ATOM 125 O5' DA A 7 -5.846 8.281 6.608 1.00 0.00 O ATOM 126 C5' DA A 7 -6.561 7.196 6.043 1.00 0.00 C ATOM 127 C4' DA A 7 -6.600 5.913 6.902 1.00 0.00 C ATOM 128 O4' DA A 7 -5.560 4.970 6.648 1.00 0.00 O ATOM 129 C3' DA A 7 -6.533 6.120 8.422 1.00 0.00 C ATOM 130 O3' DA A 7 -7.722 6.488 9.120 1.00 0.00 O ATOM 131 C2' DA A 7 -5.897 4.838 8.947 1.00 0.00 C ATOM 132 C1' DA A 7 -5.621 4.001 7.691 1.00 0.00 C ATOM 133 N9 DA A 7 -4.417 3.133 7.777 1.00 0.00 N ATOM 134 C8 DA A 7 -3.272 3.364 8.490 1.00 0.00 C ATOM 135 N7 DA A 7 -2.400 2.396 8.467 1.00 0.00 N ATOM 136 C5 DA A 7 -3.021 1.437 7.679 1.00 0.00 C ATOM 137 C6 DA A 7 -2.636 0.143 7.289 1.00 0.00 C ATOM 138 N6 DA A 7 -1.487 -0.392 7.693 1.00 0.00 N ATOM 139 N1 DA A 7 -3.440 -0.568 6.484 1.00 0.00 N ATOM 140 C2 DA A 7 -4.592 -0.022 6.106 1.00 0.00 C ATOM 141 N3 DA A 7 -5.099 1.163 6.446 1.00 0.00 N ATOM 142 C4 DA A 7 -4.246 1.869 7.238 1.00 0.00 C ATOM 0 H5' DA A 7 -6.118 6.954 5.077 1.00 0.00 H new ATOM 0 H5'' DA A 7 -7.585 7.517 5.852 1.00 0.00 H new ATOM 0 H4' DA A 7 -7.576 5.541 6.589 1.00 0.00 H new ATOM 0 H3' DA A 7 -5.955 7.023 8.619 1.00 0.00 H new ATOM 0 H2' DA A 7 -4.978 5.047 9.494 1.00 0.00 H new ATOM 0 H2'' DA A 7 -6.565 4.316 9.633 1.00 0.00 H new ATOM 0 H1' DA A 7 -6.400 3.258 7.524 1.00 0.00 H new ATOM 0 H8 DA A 7 -3.103 4.282 9.033 1.00 0.00 H new ATOM 0 H61 DA A 7 -1.230 -1.333 7.396 1.00 0.00 H new ATOM 0 H62 DA A 7 -0.863 0.139 8.300 1.00 0.00 H new ATOM 0 H2 DA A 7 -5.196 -0.616 5.436 1.00 0.00 H new ATOM 143 P DC A 8 -9.220 5.990 8.743 1.00 0.00 P ATOM 144 OP1 DC A 8 -9.552 6.465 7.382 1.00 0.00 O ATOM 145 OP2 DC A 8 -10.106 6.355 9.870 1.00 0.00 O ATOM 146 O5' DC A 8 -9.118 4.384 8.699 1.00 0.00 O ATOM 147 C5' DC A 8 -9.363 3.613 9.858 1.00 0.00 C ATOM 148 C4' DC A 8 -9.069 2.138 9.574 1.00 0.00 C ATOM 149 O4' DC A 8 -7.704 1.955 9.269 1.00 0.00 O ATOM 150 C3' DC A 8 -9.295 1.265 10.806 1.00 0.00 C ATOM 151 O3' DC A 8 -10.630 0.818 10.902 1.00 0.00 O ATOM 152 C2' DC A 8 -8.333 0.100 10.582 1.00 0.00 C ATOM 153 C1' DC A 8 -7.376 0.598 9.493 1.00 0.00 C ATOM 154 N1 DC A 8 -5.959 0.487 9.922 1.00 0.00 N ATOM 155 C2 DC A 8 -5.248 -0.661 9.595 1.00 0.00 C ATOM 156 O2 DC A 8 -5.775 -1.591 8.990 1.00 0.00 O ATOM 157 N3 DC A 8 -3.944 -0.759 9.974 1.00 0.00 N ATOM 158 C4 DC A 8 -3.359 0.219 10.671 1.00 0.00 C ATOM 159 N4 DC A 8 -2.079 0.075 10.993 1.00 0.00 N ATOM 160 C5 DC A 8 -4.083 1.385 11.073 1.00 0.00 C ATOM 161 C6 DC A 8 -5.371 1.471 10.673 1.00 0.00 C ATOM 0 H5' DC A 8 -10.400 3.732 10.172 1.00 0.00 H new ATOM 0 H5'' DC A 8 -8.739 3.966 10.679 1.00 0.00 H new ATOM 0 H4' DC A 8 -9.732 1.861 8.754 1.00 0.00 H new ATOM 0 H3' DC A 8 -9.118 1.800 11.739 1.00 0.00 H new ATOM 0 H2' DC A 8 -7.797 -0.154 11.496 1.00 0.00 H new ATOM 0 H2'' DC A 8 -8.863 -0.798 10.264 1.00 0.00 H new ATOM 0 HO3' DC A 8 -10.732 0.262 11.702 1.00 0.00 H new ATOM 0 H1' DC A 8 -7.481 -0.003 8.590 1.00 0.00 H new ATOM 0 H41 DC A 8 -1.602 0.803 11.525 1.00 0.00 H new ATOM 0 H42 DC A 8 -1.573 -0.764 10.709 1.00 0.00 H new ATOM 0 H5 DC A 8 -3.622 2.160 11.668 1.00 0.00 H new ATOM 0 H6 DC A 8 -5.952 2.338 10.952 1.00 0.00 H new TER 162 DC A 8 ATOM 163 O5' DG B 9 0.606 -12.146 11.814 1.00 0.00 O ATOM 164 C5' DG B 9 0.513 -10.739 11.883 1.00 0.00 C ATOM 165 C4' DG B 9 -0.906 -10.268 11.524 1.00 0.00 C ATOM 166 O4' DG B 9 -1.039 -8.875 11.780 1.00 0.00 O ATOM 167 C3' DG B 9 -1.275 -10.507 10.063 1.00 0.00 C ATOM 168 O3' DG B 9 -2.449 -11.282 9.836 1.00 0.00 O ATOM 169 C2' DG B 9 -1.349 -9.101 9.488 1.00 0.00 C ATOM 170 C1' DG B 9 -1.719 -8.253 10.700 1.00 0.00 C ATOM 171 N9 DG B 9 -1.202 -6.889 10.536 1.00 0.00 N ATOM 172 C8 DG B 9 0.102 -6.511 10.505 1.00 0.00 C ATOM 173 N7 DG B 9 0.292 -5.226 10.378 1.00 0.00 N ATOM 174 C5 DG B 9 -1.004 -4.717 10.284 1.00 0.00 C ATOM 175 C6 DG B 9 -1.477 -3.384 10.088 1.00 0.00 C ATOM 176 O6 DG B 9 -0.833 -2.338 10.059 1.00 0.00 O ATOM 177 N1 DG B 9 -2.850 -3.329 9.904 1.00 0.00 N ATOM 178 C2 DG B 9 -3.688 -4.415 9.952 1.00 0.00 C ATOM 179 N2 DG B 9 -4.962 -4.259 9.612 1.00 0.00 N ATOM 180 N3 DG B 9 -3.263 -5.653 10.191 1.00 0.00 N ATOM 181 C4 DG B 9 -1.920 -5.740 10.342 1.00 0.00 C ATOM 0 H5' DG B 9 1.234 -10.288 11.201 1.00 0.00 H new ATOM 0 H5'' DG B 9 0.770 -10.402 12.887 1.00 0.00 H new ATOM 0 H4' DG B 9 -1.578 -10.859 12.147 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.535 -11.137 9.570 1.00 0.00 H new ATOM 0 H2' DG B 9 -0.398 -8.792 9.054 1.00 0.00 H new ATOM 0 H2'' DG B 9 -2.098 -9.026 8.700 1.00 0.00 H new ATOM 0 HO5' DG B 9 1.517 -12.425 12.044 1.00 0.00 H new ATOM 0 H1' DG B 9 -2.797 -8.188 10.846 1.00 0.00 H new ATOM 0 H8 DG B 9 0.916 -7.217 10.579 1.00 0.00 H new ATOM 0 H1 DG B 9 -3.267 -2.417 9.720 1.00 0.00 H new ATOM 0 H21 DG B 9 -5.599 -5.055 9.642 1.00 0.00 H new ATOM 0 H22 DG B 9 -5.304 -3.343 9.321 1.00 0.00 H new ATOM 182 P DT B 10 -3.956 -10.866 10.278 1.00 0.00 P ATOM 183 OP1 DT B 10 -3.931 -10.343 11.661 1.00 0.00 O ATOM 184 OP2 DT B 10 -4.843 -12.006 9.959 1.00 0.00 O ATOM 185 O5' DT B 10 -4.364 -9.653 9.296 1.00 0.00 O ATOM 186 C5' DT B 10 -5.633 -9.035 9.412 1.00 0.00 C ATOM 187 C4' DT B 10 -5.972 -8.090 8.248 1.00 0.00 C ATOM 188 O4' DT B 10 -5.166 -6.924 8.234 1.00 0.00 O ATOM 189 C3' DT B 10 -5.819 -8.743 6.866 1.00 0.00 C ATOM 190 O3' DT B 10 -6.984 -9.165 6.155 1.00 0.00 O ATOM 191 C2' DT B 10 -4.912 -7.790 6.090 1.00 0.00 C ATOM 192 C1' DT B 10 -5.041 -6.491 6.891 1.00 0.00 C ATOM 193 N1 DT B 10 -3.882 -5.571 6.775 1.00 0.00 N ATOM 194 C2 DT B 10 -4.106 -4.200 6.631 1.00 0.00 C ATOM 195 O2 DT B 10 -5.216 -3.704 6.461 1.00 0.00 O ATOM 196 N3 DT B 10 -2.993 -3.385 6.692 1.00 0.00 N ATOM 197 C4 DT B 10 -1.688 -3.819 6.787 1.00 0.00 C ATOM 198 O4 DT B 10 -0.768 -3.008 6.759 1.00 0.00 O ATOM 199 C5 DT B 10 -1.530 -5.251 6.935 1.00 0.00 C ATOM 200 C7 DT B 10 -0.139 -5.847 7.036 1.00 0.00 C ATOM 201 C6 DT B 10 -2.614 -6.060 6.937 1.00 0.00 C ATOM 0 H5' DT B 10 -5.669 -8.474 10.346 1.00 0.00 H new ATOM 0 H5'' DT B 10 -6.399 -9.808 9.475 1.00 0.00 H new ATOM 0 H4' DT B 10 -7.016 -7.835 8.427 1.00 0.00 H new ATOM 0 H3' DT B 10 -5.395 -9.737 7.006 1.00 0.00 H new ATOM 0 H2' DT B 10 -3.882 -8.146 6.056 1.00 0.00 H new ATOM 0 H2'' DT B 10 -5.241 -7.666 5.058 1.00 0.00 H new ATOM 0 H1' DT B 10 -5.884 -5.912 6.515 1.00 0.00 H new ATOM 0 H3 DT B 10 -3.150 -2.377 6.664 1.00 0.00 H new ATOM 0 H71 DT B 10 -0.174 -6.752 7.642 1.00 0.00 H new ATOM 0 H72 DT B 10 0.225 -6.092 6.038 1.00 0.00 H new ATOM 0 H73 DT B 10 0.533 -5.125 7.500 1.00 0.00 H new ATOM 0 H6 DT B 10 -2.475 -7.123 7.070 1.00 0.00 H new ATOM 202 P DA B 11 -8.354 -8.320 5.918 1.00 0.00 P ATOM 203 OP1 DA B 11 -8.911 -7.903 7.222 1.00 0.00 O ATOM 204 OP2 DA B 11 -9.201 -9.138 5.024 1.00 0.00 O ATOM 205 O5' DA B 11 -7.951 -6.983 5.103 1.00 0.00 O ATOM 206 C5' DA B 11 -7.724 -7.021 3.706 1.00 0.00 C ATOM 207 C4' DA B 11 -7.858 -5.641 3.048 1.00 0.00 C ATOM 208 O4' DA B 11 -6.902 -4.707 3.532 1.00 0.00 O ATOM 209 C3' DA B 11 -7.628 -5.797 1.546 1.00 0.00 C ATOM 210 O3' DA B 11 -8.588 -5.026 0.852 1.00 0.00 O ATOM 211 C2' DA B 11 -6.213 -5.263 1.398 1.00 0.00 C ATOM 212 C1' DA B 11 -6.194 -4.147 2.437 1.00 0.00 C ATOM 213 N9 DA B 11 -4.818 -3.853 2.883 1.00 0.00 N ATOM 214 C8 DA B 11 -3.914 -4.765 3.347 1.00 0.00 C ATOM 215 N7 DA B 11 -2.774 -4.263 3.731 1.00 0.00 N ATOM 216 C5 DA B 11 -2.952 -2.897 3.522 1.00 0.00 C ATOM 217 C6 DA B 11 -2.125 -1.781 3.738 1.00 0.00 C ATOM 218 N6 DA B 11 -0.896 -1.889 4.233 1.00 0.00 N ATOM 219 N1 DA B 11 -2.580 -0.557 3.433 1.00 0.00 N ATOM 220 C2 DA B 11 -3.806 -0.444 2.932 1.00 0.00 C ATOM 221 N3 DA B 11 -4.686 -1.407 2.682 1.00 0.00 N ATOM 222 C4 DA B 11 -4.195 -2.631 3.008 1.00 0.00 C ATOM 0 H5' DA B 11 -8.433 -7.709 3.245 1.00 0.00 H new ATOM 0 H5'' DA B 11 -6.726 -7.415 3.514 1.00 0.00 H new ATOM 0 H4' DA B 11 -8.854 -5.264 3.282 1.00 0.00 H new ATOM 0 H3' DA B 11 -7.730 -6.806 1.147 1.00 0.00 H new ATOM 0 H2' DA B 11 -5.463 -6.027 1.604 1.00 0.00 H new ATOM 0 H2'' DA B 11 -6.019 -4.890 0.392 1.00 0.00 H new ATOM 0 H1' DA B 11 -6.614 -3.221 2.045 1.00 0.00 H new ATOM 0 H8 DA B 11 -4.127 -5.823 3.392 1.00 0.00 H new ATOM 0 H61 DA B 11 -0.328 -1.054 4.375 1.00 0.00 H new ATOM 0 H62 DA B 11 -0.521 -2.807 4.471 1.00 0.00 H new ATOM 0 H2 DA B 11 -4.128 0.560 2.698 1.00 0.00 H new ATOM 223 P DT B 12 -8.677 -5.028 -0.753 1.00 0.00 P ATOM 224 OP1 DT B 12 -10.089 -4.809 -1.133 1.00 0.00 O ATOM 225 OP2 DT B 12 -7.951 -6.214 -1.260 1.00 0.00 O ATOM 226 O5' DT B 12 -7.831 -3.711 -1.127 1.00 0.00 O ATOM 227 C5' DT B 12 -8.357 -2.424 -0.862 1.00 0.00 C ATOM 228 C4' DT B 12 -7.388 -1.315 -1.283 1.00 0.00 C ATOM 229 O4' DT B 12 -6.251 -1.311 -0.432 1.00 0.00 O ATOM 230 C3' DT B 12 -6.903 -1.412 -2.736 1.00 0.00 C ATOM 231 O3' DT B 12 -6.952 -0.179 -3.422 1.00 0.00 O ATOM 232 C2' DT B 12 -5.451 -1.733 -2.516 1.00 0.00 C ATOM 233 C1' DT B 12 -5.150 -0.962 -1.238 1.00 0.00 C ATOM 234 N1 DT B 12 -3.875 -1.375 -0.611 1.00 0.00 N ATOM 235 C2 DT B 12 -2.979 -0.396 -0.199 1.00 0.00 C ATOM 236 O2 DT B 12 -3.197 0.808 -0.292 1.00 0.00 O ATOM 237 N3 DT B 12 -1.792 -0.844 0.340 1.00 0.00 N ATOM 238 C4 DT B 12 -1.428 -2.162 0.517 1.00 0.00 C ATOM 239 O4 DT B 12 -0.349 -2.434 1.036 1.00 0.00 O ATOM 240 C5 DT B 12 -2.437 -3.125 0.114 1.00 0.00 C ATOM 241 C7 DT B 12 -2.180 -4.609 0.296 1.00 0.00 C ATOM 242 C6 DT B 12 -3.609 -2.703 -0.421 1.00 0.00 C ATOM 0 H5' DT B 12 -8.574 -2.332 0.202 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.302 -2.301 -1.392 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.959 -0.390 -1.197 1.00 0.00 H new ATOM 0 H3' DT B 12 -7.498 -2.111 -3.323 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.283 -2.803 -2.397 1.00 0.00 H new ATOM 0 H2'' DT B 12 -4.829 -1.403 -3.348 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.028 0.109 -1.400 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.121 -0.135 0.635 1.00 0.00 H new ATOM 0 H71 DT B 12 -3.126 -5.124 0.463 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.702 -5.008 -0.599 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.527 -4.762 1.155 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.352 -3.434 -0.704 1.00 0.00 H new ATOM 243 P DA B 13 -8.266 0.316 -4.195 1.00 0.00 P ATOM 244 OP1 DA B 13 -9.410 0.284 -3.256 1.00 0.00 O ATOM 245 OP2 DA B 13 -8.346 -0.408 -5.481 1.00 0.00 O ATOM 246 O5' DA B 13 -7.878 1.848 -4.497 1.00 0.00 O ATOM 247 C5' DA B 13 -8.146 2.871 -3.557 1.00 0.00 C ATOM 248 C4' DA B 13 -6.973 3.847 -3.431 1.00 0.00 C ATOM 249 O4' DA B 13 -5.846 3.168 -2.903 1.00 0.00 O ATOM 250 C3' DA B 13 -6.565 4.486 -4.762 1.00 0.00 C ATOM 251 O3' DA B 13 -6.777 5.894 -4.872 1.00 0.00 O ATOM 252 C2' DA B 13 -5.141 4.012 -4.969 1.00 0.00 C ATOM 253 C1' DA B 13 -4.670 3.572 -3.579 1.00 0.00 C ATOM 254 N9 DA B 13 -3.807 2.376 -3.651 1.00 0.00 N ATOM 255 C8 DA B 13 -4.148 1.172 -4.208 1.00 0.00 C ATOM 256 N7 DA B 13 -3.261 0.231 -4.052 1.00 0.00 N ATOM 257 C5 DA B 13 -2.282 0.849 -3.295 1.00 0.00 C ATOM 258 C6 DA B 13 -1.091 0.367 -2.741 1.00 0.00 C ATOM 259 N6 DA B 13 -0.743 -0.908 -2.881 1.00 0.00 N ATOM 260 N1 DA B 13 -0.303 1.202 -2.053 1.00 0.00 N ATOM 261 C2 DA B 13 -0.688 2.470 -1.924 1.00 0.00 C ATOM 262 N3 DA B 13 -1.795 3.047 -2.382 1.00 0.00 N ATOM 263 C4 DA B 13 -2.581 2.164 -3.055 1.00 0.00 C ATOM 0 H5' DA B 13 -8.355 2.426 -2.584 1.00 0.00 H new ATOM 0 H5'' DA B 13 -9.041 3.415 -3.857 1.00 0.00 H new ATOM 0 H4' DA B 13 -7.310 4.645 -2.770 1.00 0.00 H new ATOM 0 H3' DA B 13 -7.217 4.168 -5.576 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.098 3.188 -5.681 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.512 4.809 -5.366 1.00 0.00 H new ATOM 0 H1' DA B 13 -4.116 4.380 -3.101 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.078 1.015 -4.734 1.00 0.00 H new ATOM 0 H61 DA B 13 0.128 -1.247 -2.472 1.00 0.00 H new ATOM 0 H62 DA B 13 -1.347 -1.548 -3.397 1.00 0.00 H new ATOM 0 H2 DA B 13 -0.014 3.113 -1.377 1.00 0.00 H new ATOM 264 P DT B 14 -6.087 7.024 -3.933 1.00 0.00 P ATOM 265 OP1 DT B 14 -6.290 6.690 -2.509 1.00 0.00 O ATOM 266 OP2 DT B 14 -6.520 8.349 -4.426 1.00 0.00 O ATOM 267 O5' DT B 14 -4.528 6.878 -4.266 1.00 0.00 O ATOM 268 C5' DT B 14 -3.562 7.327 -3.347 1.00 0.00 C ATOM 269 C4' DT B 14 -2.146 7.070 -3.860 1.00 0.00 C ATOM 270 O4' DT B 14 -1.839 5.705 -4.026 1.00 0.00 O ATOM 271 C3' DT B 14 -1.798 7.782 -5.171 1.00 0.00 C ATOM 272 O3' DT B 14 -1.015 8.913 -4.822 1.00 0.00 O ATOM 273 C2' DT B 14 -1.068 6.677 -5.949 1.00 0.00 C ATOM 274 C1' DT B 14 -0.708 5.649 -4.870 1.00 0.00 C ATOM 275 N1 DT B 14 -0.556 4.244 -5.323 1.00 0.00 N ATOM 276 C2 DT B 14 0.518 3.492 -4.849 1.00 0.00 C ATOM 277 O2 DT B 14 1.470 3.969 -4.240 1.00 0.00 O ATOM 278 N3 DT B 14 0.482 2.136 -5.106 1.00 0.00 N ATOM 279 C4 DT B 14 -0.482 1.478 -5.837 1.00 0.00 C ATOM 280 O4 DT B 14 -0.402 0.263 -5.989 1.00 0.00 O ATOM 281 C5 DT B 14 -1.563 2.323 -6.310 1.00 0.00 C ATOM 282 C7 DT B 14 -2.667 1.716 -7.155 1.00 0.00 C ATOM 283 C6 DT B 14 -1.571 3.648 -6.018 1.00 0.00 C ATOM 0 H5' DT B 14 -3.703 6.821 -2.392 1.00 0.00 H new ATOM 0 H5'' DT B 14 -3.697 8.393 -3.166 1.00 0.00 H new ATOM 0 H4' DT B 14 -1.540 7.492 -3.058 1.00 0.00 H new ATOM 0 H3' DT B 14 -2.613 8.177 -5.778 1.00 0.00 H new ATOM 0 H2' DT B 14 -1.705 6.242 -6.719 1.00 0.00 H new ATOM 0 H2'' DT B 14 -0.179 7.060 -6.449 1.00 0.00 H new ATOM 0 H1' DT B 14 0.264 5.895 -4.442 1.00 0.00 H new ATOM 0 H3 DT B 14 1.238 1.570 -4.720 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.596 2.261 -6.986 1.00 0.00 H new ATOM 0 H72 DT B 14 -2.396 1.780 -8.209 1.00 0.00 H new ATOM 0 H73 DT B 14 -2.804 0.671 -6.878 1.00 0.00 H new ATOM 0 H6 DT B 14 -2.405 4.251 -6.345 1.00 0.00 H new ATOM 284 P DA B 15 -0.343 9.892 -5.903 1.00 0.00 P ATOM 285 OP1 DA B 15 -0.006 11.166 -5.229 1.00 0.00 O ATOM 286 OP2 DA B 15 -1.171 9.907 -7.129 1.00 0.00 O ATOM 287 O5' DA B 15 1.027 9.109 -6.209 1.00 0.00 O ATOM 288 C5' DA B 15 2.009 8.959 -5.201 1.00 0.00 C ATOM 289 C4' DA B 15 3.157 8.051 -5.657 1.00 0.00 C ATOM 290 O4' DA B 15 2.803 6.681 -5.703 1.00 0.00 O ATOM 291 C3' DA B 15 3.746 8.433 -7.014 1.00 0.00 C ATOM 292 O3' DA B 15 5.003 9.046 -6.755 1.00 0.00 O ATOM 293 C2' DA B 15 3.799 7.091 -7.723 1.00 0.00 C ATOM 294 C1' DA B 15 3.675 6.051 -6.623 1.00 0.00 C ATOM 295 N9 DA B 15 3.059 4.801 -7.092 1.00 0.00 N ATOM 296 C8 DA B 15 1.895 4.709 -7.788 1.00 0.00 C ATOM 297 N7 DA B 15 1.507 3.489 -8.046 1.00 0.00 N ATOM 298 C5 DA B 15 2.499 2.714 -7.445 1.00 0.00 C ATOM 299 C6 DA B 15 2.693 1.324 -7.327 1.00 0.00 C ATOM 300 N6 DA B 15 1.854 0.444 -7.866 1.00 0.00 N ATOM 301 N1 DA B 15 3.749 0.861 -6.638 1.00 0.00 N ATOM 302 C2 DA B 15 4.584 1.744 -6.098 1.00 0.00 C ATOM 303 N3 DA B 15 4.535 3.072 -6.154 1.00 0.00 N ATOM 304 C4 DA B 15 3.446 3.502 -6.844 1.00 0.00 C ATOM 0 H5' DA B 15 1.550 8.542 -4.305 1.00 0.00 H new ATOM 0 H5'' DA B 15 2.405 9.938 -4.930 1.00 0.00 H new ATOM 0 H4' DA B 15 3.914 8.206 -4.888 1.00 0.00 H new ATOM 0 H3' DA B 15 3.202 9.150 -7.629 1.00 0.00 H new ATOM 0 H2' DA B 15 2.989 6.996 -8.447 1.00 0.00 H new ATOM 0 H2'' DA B 15 4.733 6.973 -8.272 1.00 0.00 H new ATOM 0 H1' DA B 15 4.648 5.766 -6.222 1.00 0.00 H new ATOM 0 H8 DA B 15 1.335 5.577 -8.103 1.00 0.00 H new ATOM 0 H61 DA B 15 2.026 -0.556 -7.760 1.00 0.00 H new ATOM 0 H62 DA B 15 1.038 0.769 -8.385 1.00 0.00 H new ATOM 0 H2 DA B 15 5.410 1.328 -5.541 1.00 0.00 H new ATOM 305 P DC B 16 6.026 9.542 -7.896 1.00 0.00 P ATOM 306 OP1 DC B 16 6.848 10.631 -7.325 1.00 0.00 O ATOM 307 OP2 DC B 16 5.270 9.767 -9.147 1.00 0.00 O ATOM 308 O5' DC B 16 6.963 8.247 -8.076 1.00 0.00 O ATOM 309 C5' DC B 16 7.191 7.674 -9.346 1.00 0.00 C ATOM 310 C4' DC B 16 7.808 6.285 -9.164 1.00 0.00 C ATOM 311 O4' DC B 16 6.985 5.424 -8.406 1.00 0.00 O ATOM 312 C3' DC B 16 8.072 5.566 -10.485 1.00 0.00 C ATOM 313 O3' DC B 16 7.053 5.685 -11.453 1.00 0.00 O ATOM 314 C2' DC B 16 8.215 4.138 -9.993 1.00 0.00 C ATOM 315 C1' DC B 16 7.214 4.092 -8.834 1.00 0.00 C ATOM 316 N1 DC B 16 5.931 3.516 -9.305 1.00 0.00 N ATOM 317 C2 DC B 16 5.744 2.143 -9.248 1.00 0.00 C ATOM 318 O2 DC B 16 6.594 1.406 -8.756 1.00 0.00 O ATOM 319 N3 DC B 16 4.606 1.610 -9.775 1.00 0.00 N ATOM 320 C4 DC B 16 3.693 2.395 -10.356 1.00 0.00 C ATOM 321 N4 DC B 16 2.586 1.829 -10.822 1.00 0.00 N ATOM 322 C5 DC B 16 3.875 3.809 -10.456 1.00 0.00 C ATOM 323 C6 DC B 16 5.005 4.315 -9.914 1.00 0.00 C ATOM 0 H5' DC B 16 7.857 8.308 -9.931 1.00 0.00 H new ATOM 0 H5'' DC B 16 6.255 7.600 -9.899 1.00 0.00 H new ATOM 0 H4' DC B 16 8.747 6.485 -8.648 1.00 0.00 H new ATOM 0 H3' DC B 16 8.927 5.978 -11.022 1.00 0.00 H new ATOM 0 H2' DC B 16 7.971 3.414 -10.770 1.00 0.00 H new ATOM 0 H2'' DC B 16 9.231 3.921 -9.662 1.00 0.00 H new ATOM 0 HO3' DC B 16 6.374 4.996 -11.299 1.00 0.00 H new ATOM 0 H1' DC B 16 7.607 3.480 -8.022 1.00 0.00 H new ATOM 0 H41 DC B 16 1.871 2.401 -11.271 1.00 0.00 H new ATOM 0 H42 DC B 16 2.451 0.822 -10.731 1.00 0.00 H new ATOM 0 H5 DC B 16 3.146 4.442 -10.940 1.00 0.00 H new ATOM 0 H6 DC B 16 5.181 5.379 -9.964 1.00 0.00 H new TER 324 DC B 16