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= -0.254 (180deg=-0.254) 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 (180deg=0) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl 150:sc= -0.266 (180deg=-0.266) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 4.130 -10.824 -12.194 1.00 0.00 O ATOM 2 C5' DG A 1 3.703 -9.482 -12.104 1.00 0.00 C ATOM 3 C4' DG A 1 4.879 -8.566 -11.736 1.00 0.00 C ATOM 4 O4' DG A 1 4.538 -7.197 -11.905 1.00 0.00 O ATOM 5 C3' DG A 1 5.359 -8.755 -10.303 1.00 0.00 C ATOM 6 O3' DG A 1 6.774 -8.805 -10.275 1.00 0.00 O ATOM 7 C2' DG A 1 4.833 -7.502 -9.627 1.00 0.00 C ATOM 8 C1' DG A 1 4.910 -6.474 -10.742 1.00 0.00 C ATOM 9 N9 DG A 1 3.937 -5.397 -10.514 1.00 0.00 N ATOM 10 C8 DG A 1 2.585 -5.524 -10.444 1.00 0.00 C ATOM 11 N7 DG A 1 1.942 -4.400 -10.282 1.00 0.00 N ATOM 12 C5 DG A 1 2.963 -3.452 -10.220 1.00 0.00 C ATOM 13 C6 DG A 1 2.914 -2.037 -10.035 1.00 0.00 C ATOM 14 O6 DG A 1 1.926 -1.310 -9.967 1.00 0.00 O ATOM 15 N1 DG A 1 4.174 -1.472 -9.916 1.00 0.00 N ATOM 16 C2 DG A 1 5.352 -2.171 -10.018 1.00 0.00 C ATOM 17 N2 DG A 1 6.493 -1.538 -9.780 1.00 0.00 N ATOM 18 N3 DG A 1 5.411 -3.481 -10.247 1.00 0.00 N ATOM 19 C4 DG A 1 4.189 -4.063 -10.330 1.00 0.00 C ATOM 0 H5' DG A 1 2.917 -9.394 -11.354 1.00 0.00 H new ATOM 0 H5'' DG A 1 3.273 -9.167 -13.055 1.00 0.00 H new ATOM 0 H4' DG A 1 5.684 -8.849 -12.414 1.00 0.00 H new ATOM 0 H3' DG A 1 5.020 -9.674 -9.825 1.00 0.00 H new ATOM 0 H2' DG A 1 3.813 -7.633 -9.265 1.00 0.00 H new ATOM 0 H2'' DG A 1 5.442 -7.217 -8.769 1.00 0.00 H new ATOM 0 HO5' DG A 1 3.368 -11.395 -12.428 1.00 0.00 H new ATOM 0 H1' DG A 1 5.896 -6.015 -10.813 1.00 0.00 H new ATOM 0 H8 DG A 1 2.084 -6.478 -10.517 1.00 0.00 H new ATOM 0 H1 DG A 1 4.230 -0.469 -9.741 1.00 0.00 H new ATOM 0 H21 DG A 1 7.379 -2.039 -9.850 1.00 0.00 H new ATOM 0 H22 DG A 1 6.485 -0.550 -9.527 1.00 0.00 H new ATOM 20 P DT A 2 7.589 -9.087 -8.912 1.00 0.00 P ATOM 21 OP1 DT A 2 8.937 -9.579 -9.269 1.00 0.00 O ATOM 22 OP2 DT A 2 6.723 -9.895 -8.025 1.00 0.00 O ATOM 23 O5' DT A 2 7.744 -7.622 -8.253 1.00 0.00 O ATOM 24 C5' DT A 2 8.660 -6.678 -8.778 1.00 0.00 C ATOM 25 C4' DT A 2 8.691 -5.381 -7.954 1.00 0.00 C ATOM 26 O4' DT A 2 7.516 -4.603 -8.116 1.00 0.00 O ATOM 27 C3' DT A 2 8.862 -5.621 -6.450 1.00 0.00 C ATOM 28 O3' DT A 2 9.959 -4.844 -5.995 1.00 0.00 O ATOM 29 C2' DT A 2 7.537 -5.150 -5.877 1.00 0.00 C ATOM 30 C1' DT A 2 7.209 -4.032 -6.858 1.00 0.00 C ATOM 31 N1 DT A 2 5.795 -3.604 -6.814 1.00 0.00 N ATOM 32 C2 DT A 2 5.490 -2.245 -6.751 1.00 0.00 C ATOM 33 O2 DT A 2 6.334 -1.359 -6.662 1.00 0.00 O ATOM 34 N3 DT A 2 4.152 -1.920 -6.805 1.00 0.00 N ATOM 35 C4 DT A 2 3.109 -2.820 -6.815 1.00 0.00 C ATOM 36 O4 DT A 2 1.953 -2.407 -6.771 1.00 0.00 O ATOM 37 C5 DT A 2 3.503 -4.215 -6.894 1.00 0.00 C ATOM 38 C7 DT A 2 2.445 -5.299 -6.939 1.00 0.00 C ATOM 39 C6 DT A 2 4.815 -4.551 -6.897 1.00 0.00 C ATOM 0 H5' DT A 2 8.390 -6.446 -9.808 1.00 0.00 H new ATOM 0 H5'' DT A 2 9.658 -7.116 -8.801 1.00 0.00 H new ATOM 0 H4' DT A 2 9.559 -4.849 -8.344 1.00 0.00 H new ATOM 0 H3' DT A 2 9.076 -6.650 -6.162 1.00 0.00 H new ATOM 0 H2' DT A 2 6.782 -5.936 -5.873 1.00 0.00 H new ATOM 0 H2'' DT A 2 7.630 -4.791 -4.852 1.00 0.00 H new ATOM 0 H1' DT A 2 7.769 -3.126 -6.628 1.00 0.00 H new ATOM 0 H3 DT A 2 3.914 -0.929 -6.841 1.00 0.00 H new ATOM 0 H71 DT A 2 2.822 -6.152 -7.503 1.00 0.00 H new ATOM 0 H72 DT A 2 2.203 -5.614 -5.924 1.00 0.00 H new ATOM 0 H73 DT A 2 1.548 -4.912 -7.422 1.00 0.00 H new ATOM 0 H6 DT A 2 5.093 -5.592 -6.967 1.00 0.00 H new ATOM 40 P DA A 3 10.465 -4.868 -4.467 1.00 0.00 P ATOM 41 OP1 DA A 3 11.915 -4.575 -4.475 1.00 0.00 O ATOM 42 OP2 DA A 3 9.965 -6.104 -3.829 1.00 0.00 O ATOM 43 O5' DA A 3 9.694 -3.613 -3.806 1.00 0.00 O ATOM 44 C5' DA A 3 10.201 -2.300 -3.952 1.00 0.00 C ATOM 45 C4' DA A 3 9.465 -1.273 -3.086 1.00 0.00 C ATOM 46 O4' DA A 3 8.162 -0.979 -3.576 1.00 0.00 O ATOM 47 C3' DA A 3 9.329 -1.724 -1.629 1.00 0.00 C ATOM 48 O3' DA A 3 9.864 -0.699 -0.810 1.00 0.00 O ATOM 49 C2' DA A 3 7.819 -1.905 -1.502 1.00 0.00 C ATOM 50 C1' DA A 3 7.275 -0.862 -2.475 1.00 0.00 C ATOM 51 N9 DA A 3 5.900 -1.177 -2.927 1.00 0.00 N ATOM 52 C8 DA A 3 5.449 -2.378 -3.398 1.00 0.00 C ATOM 53 N7 DA A 3 4.207 -2.380 -3.800 1.00 0.00 N ATOM 54 C5 DA A 3 3.814 -1.057 -3.610 1.00 0.00 C ATOM 55 C6 DA A 3 2.621 -0.359 -3.883 1.00 0.00 C ATOM 56 N6 DA A 3 1.572 -0.937 -4.462 1.00 0.00 N ATOM 57 N1 DA A 3 2.547 0.955 -3.617 1.00 0.00 N ATOM 58 C2 DA A 3 3.614 1.547 -3.088 1.00 0.00 C ATOM 59 N3 DA A 3 4.790 1.011 -2.783 1.00 0.00 N ATOM 60 C4 DA A 3 4.835 -0.314 -3.076 1.00 0.00 C ATOM 0 H5' DA A 3 10.129 -2.003 -4.998 1.00 0.00 H new ATOM 0 H5'' DA A 3 11.259 -2.294 -3.692 1.00 0.00 H new ATOM 0 H4' DA A 3 10.084 -0.377 -3.135 1.00 0.00 H new ATOM 0 H3' DA A 3 9.857 -2.632 -1.336 1.00 0.00 H new ATOM 0 H2' DA A 3 7.508 -2.914 -1.773 1.00 0.00 H new ATOM 0 H2'' DA A 3 7.474 -1.728 -0.483 1.00 0.00 H new ATOM 0 H1' DA A 3 7.221 0.129 -2.025 1.00 0.00 H new ATOM 0 H8 DA A 3 6.073 -3.259 -3.435 1.00 0.00 H new ATOM 0 H61 DA A 3 0.726 -0.396 -4.642 1.00 0.00 H new ATOM 0 H62 DA A 3 1.613 -1.921 -4.726 1.00 0.00 H new ATOM 0 H2 DA A 3 3.510 2.602 -2.879 1.00 0.00 H new ATOM 61 P DT A 4 9.780 -0.721 0.797 1.00 0.00 P ATOM 62 OP1 DT A 4 10.969 -0.027 1.339 1.00 0.00 O ATOM 63 OP2 DT A 4 9.447 -2.087 1.256 1.00 0.00 O ATOM 64 O5' DT A 4 8.497 0.213 1.041 1.00 0.00 O ATOM 65 C5' DT A 4 8.523 1.583 0.683 1.00 0.00 C ATOM 66 C4' DT A 4 7.184 2.251 0.999 1.00 0.00 C ATOM 67 O4' DT A 4 6.171 1.683 0.185 1.00 0.00 O ATOM 68 C3' DT A 4 6.765 2.090 2.467 1.00 0.00 C ATOM 69 O3' DT A 4 6.159 3.241 3.011 1.00 0.00 O ATOM 70 C2' DT A 4 5.672 1.073 2.320 1.00 0.00 C ATOM 71 C1' DT A 4 5.043 1.515 1.007 1.00 0.00 C ATOM 72 N1 DT A 4 4.114 0.508 0.449 1.00 0.00 N ATOM 73 C2 DT A 4 2.885 0.938 -0.031 1.00 0.00 C ATOM 74 O2 DT A 4 2.511 2.106 -0.004 1.00 0.00 O ATOM 75 N3 DT A 4 2.064 -0.036 -0.551 1.00 0.00 N ATOM 76 C4 DT A 4 2.351 -1.376 -0.665 1.00 0.00 C ATOM 77 O4 DT A 4 1.536 -2.122 -1.203 1.00 0.00 O ATOM 78 C5 DT A 4 3.664 -1.748 -0.165 1.00 0.00 C ATOM 79 C7 DT A 4 4.124 -3.191 -0.252 1.00 0.00 C ATOM 80 C6 DT A 4 4.487 -0.806 0.362 1.00 0.00 C ATOM 0 H5' DT A 4 8.742 1.682 -0.380 1.00 0.00 H new ATOM 0 H5'' DT A 4 9.324 2.089 1.222 1.00 0.00 H new ATOM 0 H4' DT A 4 7.310 3.315 0.800 1.00 0.00 H new ATOM 0 H3' DT A 4 7.615 1.857 3.109 1.00 0.00 H new ATOM 0 H2' DT A 4 6.059 0.055 2.270 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.964 1.105 3.148 1.00 0.00 H new ATOM 0 H1' DT A 4 4.427 2.408 1.111 1.00 0.00 H new ATOM 0 H3 DT A 4 1.149 0.267 -0.886 1.00 0.00 H new ATOM 0 H71 DT A 4 5.209 -3.222 -0.354 1.00 0.00 H new ATOM 0 H72 DT A 4 3.829 -3.722 0.653 1.00 0.00 H new ATOM 0 H73 DT A 4 3.665 -3.668 -1.118 1.00 0.00 H new ATOM 0 H6 DT A 4 5.462 -1.101 0.722 1.00 0.00 H new ATOM 81 P DA A 5 6.996 4.438 3.665 1.00 0.00 P ATOM 82 OP1 DA A 5 8.062 4.854 2.728 1.00 0.00 O ATOM 83 OP2 DA A 5 7.335 4.055 5.054 1.00 0.00 O ATOM 84 O5' DA A 5 5.852 5.568 3.698 1.00 0.00 O ATOM 85 C5' DA A 5 5.608 6.399 2.576 1.00 0.00 C ATOM 86 C4' DA A 5 4.117 6.738 2.450 1.00 0.00 C ATOM 87 O4' DA A 5 3.412 5.585 2.028 1.00 0.00 O ATOM 88 C3' DA A 5 3.482 7.256 3.746 1.00 0.00 C ATOM 89 O3' DA A 5 2.807 8.476 3.477 1.00 0.00 O ATOM 90 C2' DA A 5 2.565 6.120 4.138 1.00 0.00 C ATOM 91 C1' DA A 5 2.264 5.402 2.830 1.00 0.00 C ATOM 92 N9 DA A 5 2.117 3.953 3.049 1.00 0.00 N ATOM 93 C8 DA A 5 3.033 3.123 3.635 1.00 0.00 C ATOM 94 N7 DA A 5 2.733 1.855 3.571 1.00 0.00 N ATOM 95 C5 DA A 5 1.537 1.855 2.872 1.00 0.00 C ATOM 96 C6 DA A 5 0.714 0.819 2.416 1.00 0.00 C ATOM 97 N6 DA A 5 1.054 -0.460 2.566 1.00 0.00 N ATOM 98 N1 DA A 5 -0.433 1.125 1.799 1.00 0.00 N ATOM 99 C2 DA A 5 -0.749 2.406 1.631 1.00 0.00 C ATOM 100 N3 DA A 5 -0.044 3.477 1.978 1.00 0.00 N ATOM 101 C4 DA A 5 1.121 3.128 2.584 1.00 0.00 C ATOM 0 H5' DA A 5 5.948 5.899 1.669 1.00 0.00 H new ATOM 0 H5'' DA A 5 6.186 7.318 2.669 1.00 0.00 H new ATOM 0 H4' DA A 5 4.048 7.546 1.721 1.00 0.00 H new ATOM 0 H3' DA A 5 4.176 7.495 4.552 1.00 0.00 H new ATOM 0 H2' DA A 5 3.044 5.453 4.855 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.653 6.490 4.606 1.00 0.00 H new ATOM 0 H1' DA A 5 1.346 5.788 2.386 1.00 0.00 H new ATOM 0 H8 DA A 5 3.931 3.488 4.112 1.00 0.00 H new ATOM 0 H61 DA A 5 0.435 -1.196 2.224 1.00 0.00 H new ATOM 0 H62 DA A 5 1.933 -0.704 3.023 1.00 0.00 H new ATOM 0 H2 DA A 5 -1.698 2.600 1.153 1.00 0.00 H new ATOM 102 P DT A 6 2.018 9.307 4.611 1.00 0.00 P ATOM 103 OP1 DT A 6 1.812 10.687 4.118 1.00 0.00 O ATOM 104 OP2 DT A 6 2.687 9.088 5.911 1.00 0.00 O ATOM 105 O5' DT A 6 0.586 8.576 4.648 1.00 0.00 O ATOM 106 C5' DT A 6 -0.267 8.598 3.520 1.00 0.00 C ATOM 107 C4' DT A 6 -1.492 7.703 3.736 1.00 0.00 C ATOM 108 O4' DT A 6 -1.168 6.329 3.761 1.00 0.00 O ATOM 109 C3' DT A 6 -2.267 8.027 5.017 1.00 0.00 C ATOM 110 O3' DT A 6 -3.555 8.489 4.642 1.00 0.00 O ATOM 111 C2' DT A 6 -2.261 6.680 5.744 1.00 0.00 C ATOM 112 C1' DT A 6 -2.118 5.689 4.590 1.00 0.00 C ATOM 113 N1 DT A 6 -1.566 4.364 4.960 1.00 0.00 N ATOM 114 C2 DT A 6 -2.202 3.203 4.520 1.00 0.00 C ATOM 115 O2 DT A 6 -3.295 3.195 3.962 1.00 0.00 O ATOM 116 N3 DT A 6 -1.544 2.011 4.755 1.00 0.00 N ATOM 117 C4 DT A 6 -0.352 1.880 5.440 1.00 0.00 C ATOM 118 O4 DT A 6 0.132 0.765 5.607 1.00 0.00 O ATOM 119 C5 DT A 6 0.262 3.131 5.846 1.00 0.00 C ATOM 120 C7 DT A 6 1.571 3.118 6.613 1.00 0.00 C ATOM 121 C6 DT A 6 -0.347 4.310 5.576 1.00 0.00 C ATOM 0 H5' DT A 6 0.281 8.263 2.639 1.00 0.00 H new ATOM 0 H5'' DT A 6 -0.590 9.621 3.325 1.00 0.00 H new ATOM 0 H4' DT A 6 -2.124 7.918 2.874 1.00 0.00 H new ATOM 0 H3' DT A 6 -1.860 8.810 5.657 1.00 0.00 H new ATOM 0 H2' DT A 6 -1.435 6.603 6.451 1.00 0.00 H new ATOM 0 H2'' DT A 6 -3.180 6.518 6.308 1.00 0.00 H new ATOM 0 H1' DT A 6 -3.096 5.476 4.159 1.00 0.00 H new ATOM 0 H3 DT A 6 -1.973 1.159 4.393 1.00 0.00 H new ATOM 0 H71 DT A 6 2.137 4.021 6.382 1.00 0.00 H new ATOM 0 H72 DT A 6 1.365 3.082 7.683 1.00 0.00 H new ATOM 0 H73 DT A 6 2.152 2.242 6.326 1.00 0.00 H new ATOM 0 H6 DT A 6 0.143 5.231 5.855 1.00 0.00 H new ATOM 122 P DA A 7 -4.592 9.114 5.700 1.00 0.00 P ATOM 123 OP1 DA A 7 -5.649 9.841 4.962 1.00 0.00 O ATOM 124 OP2 DA A 7 -3.838 9.804 6.770 1.00 0.00 O ATOM 125 O5' DA A 7 -5.241 7.792 6.322 1.00 0.00 O ATOM 126 C5' DA A 7 -6.275 7.103 5.650 1.00 0.00 C ATOM 127 C4' DA A 7 -6.621 5.785 6.349 1.00 0.00 C ATOM 128 O4' DA A 7 -5.654 4.777 6.097 1.00 0.00 O ATOM 129 C3' DA A 7 -6.697 5.908 7.877 1.00 0.00 C ATOM 130 O3' DA A 7 -7.954 6.227 8.475 1.00 0.00 O ATOM 131 C2' DA A 7 -6.047 4.625 8.366 1.00 0.00 C ATOM 132 C1' DA A 7 -5.808 3.792 7.104 1.00 0.00 C ATOM 133 N9 DA A 7 -4.600 2.948 7.213 1.00 0.00 N ATOM 134 C8 DA A 7 -3.393 3.336 7.710 1.00 0.00 C ATOM 135 N7 DA A 7 -2.510 2.383 7.824 1.00 0.00 N ATOM 136 C5 DA A 7 -3.181 1.278 7.303 1.00 0.00 C ATOM 137 C6 DA A 7 -2.805 -0.064 7.110 1.00 0.00 C ATOM 138 N6 DA A 7 -1.614 -0.526 7.483 1.00 0.00 N ATOM 139 N1 DA A 7 -3.656 -0.905 6.504 1.00 0.00 N ATOM 140 C2 DA A 7 -4.837 -0.433 6.113 1.00 0.00 C ATOM 141 N3 DA A 7 -5.331 0.791 6.271 1.00 0.00 N ATOM 142 C4 DA A 7 -4.442 1.618 6.882 1.00 0.00 C ATOM 0 H5' DA A 7 -5.971 6.902 4.623 1.00 0.00 H new ATOM 0 H5'' DA A 7 -7.162 7.734 5.602 1.00 0.00 H new ATOM 0 H4' DA A 7 -7.596 5.523 5.938 1.00 0.00 H new ATOM 0 H3' DA A 7 -6.179 6.809 8.205 1.00 0.00 H new ATOM 0 H2' DA A 7 -5.111 4.831 8.886 1.00 0.00 H new ATOM 0 H2'' DA A 7 -6.693 4.099 9.069 1.00 0.00 H new ATOM 0 H1' DA A 7 -6.618 3.089 6.907 1.00 0.00 H new ATOM 0 H8 DA A 7 -3.182 4.358 7.989 1.00 0.00 H new ATOM 0 H61 DA A 7 -1.375 -1.505 7.327 1.00 0.00 H new ATOM 0 H62 DA A 7 -0.940 0.099 7.924 1.00 0.00 H new ATOM 0 H2 DA A 7 -5.478 -1.136 5.601 1.00 0.00 H new ATOM 143 P DC A 8 -9.358 5.454 8.219 1.00 0.00 P ATOM 144 OP1 DC A 8 -9.718 5.564 6.789 1.00 0.00 O ATOM 145 OP2 DC A 8 -10.316 5.933 9.238 1.00 0.00 O ATOM 146 O5' DC A 8 -9.031 3.918 8.554 1.00 0.00 O ATOM 147 C5' DC A 8 -9.739 2.871 7.929 1.00 0.00 C ATOM 148 C4' DC A 8 -9.333 1.519 8.524 1.00 0.00 C ATOM 149 O4' DC A 8 -7.942 1.276 8.417 1.00 0.00 O ATOM 150 C3' DC A 8 -9.620 1.378 10.018 1.00 0.00 C ATOM 151 O3' DC A 8 -10.942 0.946 10.263 1.00 0.00 O ATOM 152 C2' DC A 8 -8.602 0.326 10.466 1.00 0.00 C ATOM 153 C1' DC A 8 -7.648 0.183 9.270 1.00 0.00 C ATOM 154 N1 DC A 8 -6.216 0.199 9.678 1.00 0.00 N ATOM 155 C2 DC A 8 -5.449 -0.952 9.533 1.00 0.00 C ATOM 156 O2 DC A 8 -5.938 -2.006 9.137 1.00 0.00 O ATOM 157 N3 DC A 8 -4.128 -0.913 9.860 1.00 0.00 N ATOM 158 C4 DC A 8 -3.575 0.207 10.331 1.00 0.00 C ATOM 159 N4 DC A 8 -2.269 0.201 10.574 1.00 0.00 N ATOM 160 C5 DC A 8 -4.346 1.392 10.536 1.00 0.00 C ATOM 161 C6 DC A 8 -5.655 1.335 10.194 1.00 0.00 C ATOM 0 H5' DC A 8 -9.539 2.878 6.857 1.00 0.00 H new ATOM 0 H5'' DC A 8 -10.811 3.023 8.055 1.00 0.00 H new ATOM 0 H4' DC A 8 -9.932 0.819 7.942 1.00 0.00 H new ATOM 0 H3' DC A 8 -9.533 2.323 10.555 1.00 0.00 H new ATOM 0 H2' DC A 8 -8.070 0.644 11.363 1.00 0.00 H new ATOM 0 H2'' DC A 8 -9.087 -0.621 10.703 1.00 0.00 H new ATOM 0 HO3' DC A 8 -11.086 0.866 11.229 1.00 0.00 H new ATOM 0 H1' DC A 8 -7.794 -0.777 8.776 1.00 0.00 H new ATOM 0 H41 DC A 8 -1.813 1.039 10.934 1.00 0.00 H new ATOM 0 H42 DC A 8 -1.722 -0.642 10.400 1.00 0.00 H new ATOM 0 H5 DC A 8 -3.906 2.290 10.944 1.00 0.00 H new ATOM 0 H6 DC A 8 -6.273 2.210 10.332 1.00 0.00 H new TER 162 DC A 8 ATOM 163 O5' DG B 9 1.550 -11.853 11.649 1.00 0.00 O ATOM 164 C5' DG B 9 1.359 -10.464 11.480 1.00 0.00 C ATOM 165 C4' DG B 9 -0.138 -10.144 11.333 1.00 0.00 C ATOM 166 O4' DG B 9 -0.413 -8.774 11.605 1.00 0.00 O ATOM 167 C3' DG B 9 -0.691 -10.457 9.949 1.00 0.00 C ATOM 168 O3' DG B 9 -1.950 -11.095 10.080 1.00 0.00 O ATOM 169 C2' DG B 9 -0.828 -9.070 9.350 1.00 0.00 C ATOM 170 C1' DG B 9 -1.214 -8.240 10.561 1.00 0.00 C ATOM 171 N9 DG B 9 -0.855 -6.832 10.346 1.00 0.00 N ATOM 172 C8 DG B 9 0.397 -6.332 10.187 1.00 0.00 C ATOM 173 N7 DG B 9 0.451 -5.034 10.057 1.00 0.00 N ATOM 174 C5 DG B 9 -0.891 -4.652 10.103 1.00 0.00 C ATOM 175 C6 DG B 9 -1.503 -3.368 9.978 1.00 0.00 C ATOM 176 O6 DG B 9 -0.959 -2.268 9.895 1.00 0.00 O ATOM 177 N1 DG B 9 -2.887 -3.440 9.935 1.00 0.00 N ATOM 178 C2 DG B 9 -3.612 -4.603 10.048 1.00 0.00 C ATOM 179 N2 DG B 9 -4.923 -4.562 9.845 1.00 0.00 N ATOM 180 N3 DG B 9 -3.051 -5.797 10.230 1.00 0.00 N ATOM 181 C4 DG B 9 -1.696 -5.757 10.239 1.00 0.00 C ATOM 0 H5' DG B 9 1.899 -10.121 10.598 1.00 0.00 H new ATOM 0 H5'' DG B 9 1.770 -9.927 12.335 1.00 0.00 H new ATOM 0 H4' DG B 9 -0.628 -10.788 12.063 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.077 -11.125 9.344 1.00 0.00 H new ATOM 0 H2' DG B 9 0.103 -8.726 8.900 1.00 0.00 H new ATOM 0 H2'' DG B 9 -1.590 -9.035 8.572 1.00 0.00 H new ATOM 0 HO5' DG B 9 2.507 -12.043 11.740 1.00 0.00 H new ATOM 0 H1' DG B 9 -2.283 -8.276 10.771 1.00 0.00 H new ATOM 0 H8 DG B 9 1.277 -6.957 10.169 1.00 0.00 H new ATOM 0 H1 DG B 9 -3.404 -2.569 9.811 1.00 0.00 H new ATOM 0 H21 DG B 9 -5.478 -5.414 9.924 1.00 0.00 H new ATOM 0 H22 DG B 9 -5.375 -3.678 9.610 1.00 0.00 H new ATOM 182 P DT B 10 -2.772 -11.641 8.804 1.00 0.00 P ATOM 183 OP1 DT B 10 -3.770 -12.624 9.281 1.00 0.00 O ATOM 184 OP2 DT B 10 -1.798 -12.036 7.765 1.00 0.00 O ATOM 185 O5' DT B 10 -3.566 -10.340 8.270 1.00 0.00 O ATOM 186 C5' DT B 10 -4.733 -9.863 8.916 1.00 0.00 C ATOM 187 C4' DT B 10 -5.424 -8.739 8.122 1.00 0.00 C ATOM 188 O4' DT B 10 -4.707 -7.516 8.213 1.00 0.00 O ATOM 189 C3' DT B 10 -5.560 -9.053 6.624 1.00 0.00 C ATOM 190 O3' DT B 10 -6.879 -9.179 6.092 1.00 0.00 O ATOM 191 C2' DT B 10 -4.683 -8.007 5.951 1.00 0.00 C ATOM 192 C1' DT B 10 -4.775 -6.863 6.957 1.00 0.00 C ATOM 193 N1 DT B 10 -3.680 -5.874 6.836 1.00 0.00 N ATOM 194 C2 DT B 10 -3.982 -4.512 6.788 1.00 0.00 C ATOM 195 O2 DT B 10 -5.122 -4.064 6.731 1.00 0.00 O ATOM 196 N3 DT B 10 -2.908 -3.648 6.801 1.00 0.00 N ATOM 197 C4 DT B 10 -1.581 -4.020 6.741 1.00 0.00 C ATOM 198 O4 DT B 10 -0.711 -3.156 6.670 1.00 0.00 O ATOM 199 C5 DT B 10 -1.344 -5.451 6.788 1.00 0.00 C ATOM 200 C7 DT B 10 0.075 -5.983 6.729 1.00 0.00 C ATOM 201 C6 DT B 10 -2.387 -6.313 6.842 1.00 0.00 C ATOM 0 H5' DT B 10 -4.472 -9.496 9.908 1.00 0.00 H new ATOM 0 H5'' DT B 10 -5.431 -10.688 9.055 1.00 0.00 H new ATOM 0 H4' DT B 10 -6.412 -8.655 8.574 1.00 0.00 H new ATOM 0 H3' DT B 10 -5.231 -10.072 6.421 1.00 0.00 H new ATOM 0 H2' DT B 10 -3.659 -8.354 5.813 1.00 0.00 H new ATOM 0 H2'' DT B 10 -5.059 -7.724 4.968 1.00 0.00 H new ATOM 0 H1' DT B 10 -5.684 -6.282 6.801 1.00 0.00 H new ATOM 0 H3 DT B 10 -3.111 -2.650 6.860 1.00 0.00 H new ATOM 0 H71 DT B 10 0.135 -6.921 7.280 1.00 0.00 H new ATOM 0 H72 DT B 10 0.357 -6.154 5.690 1.00 0.00 H new ATOM 0 H73 DT B 10 0.755 -5.257 7.174 1.00 0.00 H new ATOM 0 H6 DT B 10 -2.191 -7.374 6.891 1.00 0.00 H new ATOM 202 P DA B 11 -8.072 -8.075 6.165 1.00 0.00 P ATOM 203 OP1 DA B 11 -8.119 -7.480 7.516 1.00 0.00 O ATOM 204 OP2 DA B 11 -9.290 -8.721 5.629 1.00 0.00 O ATOM 205 O5' DA B 11 -7.662 -6.905 5.141 1.00 0.00 O ATOM 206 C5' DA B 11 -7.582 -7.127 3.748 1.00 0.00 C ATOM 207 C4' DA B 11 -7.684 -5.795 2.996 1.00 0.00 C ATOM 208 O4' DA B 11 -6.791 -4.812 3.512 1.00 0.00 O ATOM 209 C3' DA B 11 -7.351 -5.998 1.519 1.00 0.00 C ATOM 210 O3' DA B 11 -8.324 -5.315 0.749 1.00 0.00 O ATOM 211 C2' DA B 11 -5.964 -5.375 1.446 1.00 0.00 C ATOM 212 C1' DA B 11 -6.063 -4.226 2.447 1.00 0.00 C ATOM 213 N9 DA B 11 -4.731 -3.821 2.951 1.00 0.00 N ATOM 214 C8 DA B 11 -3.780 -4.658 3.457 1.00 0.00 C ATOM 215 N7 DA B 11 -2.679 -4.073 3.839 1.00 0.00 N ATOM 216 C5 DA B 11 -2.952 -2.725 3.628 1.00 0.00 C ATOM 217 C6 DA B 11 -2.224 -1.547 3.888 1.00 0.00 C ATOM 218 N6 DA B 11 -1.018 -1.566 4.448 1.00 0.00 N ATOM 219 N1 DA B 11 -2.777 -0.354 3.622 1.00 0.00 N ATOM 220 C2 DA B 11 -4.002 -0.335 3.103 1.00 0.00 C ATOM 221 N3 DA B 11 -4.791 -1.363 2.805 1.00 0.00 N ATOM 222 C4 DA B 11 -4.207 -2.553 3.100 1.00 0.00 C ATOM 0 H5' DA B 11 -8.383 -7.795 3.432 1.00 0.00 H new ATOM 0 H5'' DA B 11 -6.641 -7.620 3.504 1.00 0.00 H new ATOM 0 H4' DA B 11 -8.708 -5.445 3.124 1.00 0.00 H new ATOM 0 H3' DA B 11 -7.357 -7.021 1.144 1.00 0.00 H new ATOM 0 H2' DA B 11 -5.185 -6.086 1.721 1.00 0.00 H new ATOM 0 H2'' DA B 11 -5.731 -5.019 0.442 1.00 0.00 H new ATOM 0 H1' DA B 11 -6.513 -3.334 2.011 1.00 0.00 H new ATOM 0 H8 DA B 11 -3.928 -5.725 3.535 1.00 0.00 H new ATOM 0 H61 DA B 11 -0.522 -0.692 4.620 1.00 0.00 H new ATOM 0 H62 DA B 11 -0.589 -2.455 4.705 1.00 0.00 H new ATOM 0 H2 DA B 11 -4.409 0.644 2.897 1.00 0.00 H new ATOM 223 P DT B 12 -8.265 -5.231 -0.856 1.00 0.00 P ATOM 224 OP1 DT B 12 -9.650 -5.172 -1.373 1.00 0.00 O ATOM 225 OP2 DT B 12 -7.330 -6.262 -1.358 1.00 0.00 O ATOM 226 O5' DT B 12 -7.584 -3.792 -1.069 1.00 0.00 O ATOM 227 C5' DT B 12 -8.269 -2.606 -0.708 1.00 0.00 C ATOM 228 C4' DT B 12 -7.416 -1.372 -1.015 1.00 0.00 C ATOM 229 O4' DT B 12 -6.261 -1.381 -0.192 1.00 0.00 O ATOM 230 C3' DT B 12 -6.960 -1.306 -2.479 1.00 0.00 C ATOM 231 O3' DT B 12 -6.969 -0.005 -3.020 1.00 0.00 O ATOM 232 C2' DT B 12 -5.515 -1.676 -2.324 1.00 0.00 C ATOM 233 C1' DT B 12 -5.182 -0.992 -1.007 1.00 0.00 C ATOM 234 N1 DT B 12 -3.892 -1.441 -0.438 1.00 0.00 N ATOM 235 C2 DT B 12 -3.010 -0.484 0.045 1.00 0.00 C ATOM 236 O2 DT B 12 -3.225 0.723 0.007 1.00 0.00 O ATOM 237 N3 DT B 12 -1.833 -0.959 0.576 1.00 0.00 N ATOM 238 C4 DT B 12 -1.458 -2.278 0.693 1.00 0.00 C ATOM 239 O4 DT B 12 -0.394 -2.558 1.239 1.00 0.00 O ATOM 240 C5 DT B 12 -2.437 -3.222 0.184 1.00 0.00 C ATOM 241 C7 DT B 12 -2.158 -4.710 0.273 1.00 0.00 C ATOM 242 C6 DT B 12 -3.601 -2.776 -0.352 1.00 0.00 C ATOM 0 H5' DT B 12 -8.513 -2.630 0.354 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.213 -2.546 -1.250 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.043 -0.502 -0.819 1.00 0.00 H new ATOM 0 H3' DT B 12 -7.593 -1.914 -3.125 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.368 -2.755 -2.277 1.00 0.00 H new ATOM 0 H2'' DT B 12 -4.904 -1.306 -3.147 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.063 0.087 -1.110 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.171 -0.263 0.918 1.00 0.00 H new ATOM 0 H71 DT B 12 -3.099 -5.252 0.367 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.640 -5.038 -0.628 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.534 -4.912 1.144 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.318 -3.494 -0.721 1.00 0.00 H new ATOM 243 P DA B 13 -8.270 0.652 -3.679 1.00 0.00 P ATOM 244 OP1 DA B 13 -9.411 0.510 -2.748 1.00 0.00 O ATOM 245 OP2 DA B 13 -8.379 0.158 -5.069 1.00 0.00 O ATOM 246 O5' DA B 13 -7.796 2.187 -3.701 1.00 0.00 O ATOM 247 C5' DA B 13 -7.933 3.010 -2.556 1.00 0.00 C ATOM 248 C4' DA B 13 -6.757 3.985 -2.422 1.00 0.00 C ATOM 249 O4' DA B 13 -5.591 3.280 -2.045 1.00 0.00 O ATOM 250 C3' DA B 13 -6.455 4.788 -3.692 1.00 0.00 C ATOM 251 O3' DA B 13 -6.438 6.164 -3.344 1.00 0.00 O ATOM 252 C2' DA B 13 -5.113 4.241 -4.120 1.00 0.00 C ATOM 253 C1' DA B 13 -4.500 3.705 -2.834 1.00 0.00 C ATOM 254 N9 DA B 13 -3.686 2.506 -3.086 1.00 0.00 N ATOM 255 C8 DA B 13 -4.113 1.350 -3.678 1.00 0.00 C ATOM 256 N7 DA B 13 -3.263 0.363 -3.608 1.00 0.00 N ATOM 257 C5 DA B 13 -2.211 0.908 -2.889 1.00 0.00 C ATOM 258 C6 DA B 13 -1.016 0.362 -2.402 1.00 0.00 C ATOM 259 N6 DA B 13 -0.730 -0.931 -2.541 1.00 0.00 N ATOM 260 N1 DA B 13 -0.157 1.155 -1.754 1.00 0.00 N ATOM 261 C2 DA B 13 -0.468 2.438 -1.588 1.00 0.00 C ATOM 262 N3 DA B 13 -1.575 3.069 -1.962 1.00 0.00 N ATOM 263 C4 DA B 13 -2.432 2.228 -2.598 1.00 0.00 C ATOM 0 H5' DA B 13 -7.994 2.387 -1.664 1.00 0.00 H new ATOM 0 H5'' DA B 13 -8.866 3.570 -2.618 1.00 0.00 H new ATOM 0 H4' DA B 13 -7.057 4.703 -1.658 1.00 0.00 H new ATOM 0 H3' DA B 13 -7.177 4.702 -4.504 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.223 3.454 -4.866 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.490 5.017 -4.565 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.876 4.472 -2.375 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.074 1.261 -4.163 1.00 0.00 H new ATOM 0 H61 DA B 13 0.148 -1.301 -2.177 1.00 0.00 H new ATOM 0 H62 DA B 13 -1.389 -1.551 -3.012 1.00 0.00 H new ATOM 0 H2 DA B 13 0.273 3.042 -1.086 1.00 0.00 H new ATOM 264 P DT B 14 -6.197 7.346 -4.413 1.00 0.00 P ATOM 265 OP1 DT B 14 -6.630 8.616 -3.787 1.00 0.00 O ATOM 266 OP2 DT B 14 -6.773 6.937 -5.711 1.00 0.00 O ATOM 267 O5' DT B 14 -4.594 7.378 -4.550 1.00 0.00 O ATOM 268 C5' DT B 14 -3.784 7.776 -3.462 1.00 0.00 C ATOM 269 C4' DT B 14 -2.297 7.522 -3.739 1.00 0.00 C ATOM 270 O4' DT B 14 -1.964 6.149 -3.760 1.00 0.00 O ATOM 271 C3' DT B 14 -1.781 8.148 -5.041 1.00 0.00 C ATOM 272 O3' DT B 14 -0.857 9.171 -4.707 1.00 0.00 O ATOM 273 C2' DT B 14 -1.148 6.947 -5.744 1.00 0.00 C ATOM 274 C1' DT B 14 -0.819 6.012 -4.580 1.00 0.00 C ATOM 275 N1 DT B 14 -0.691 4.582 -4.948 1.00 0.00 N ATOM 276 C2 DT B 14 0.406 3.845 -4.500 1.00 0.00 C ATOM 277 O2 DT B 14 1.368 4.339 -3.921 1.00 0.00 O ATOM 278 N3 DT B 14 0.382 2.486 -4.751 1.00 0.00 N ATOM 279 C4 DT B 14 -0.600 1.822 -5.460 1.00 0.00 C ATOM 280 O4 DT B 14 -0.507 0.611 -5.637 1.00 0.00 O ATOM 281 C5 DT B 14 -1.718 2.649 -5.876 1.00 0.00 C ATOM 282 C7 DT B 14 -2.862 2.036 -6.661 1.00 0.00 C ATOM 283 C6 DT B 14 -1.733 3.972 -5.589 1.00 0.00 C ATOM 0 H5' DT B 14 -4.085 7.233 -2.566 1.00 0.00 H new ATOM 0 H5'' DT B 14 -3.941 8.836 -3.260 1.00 0.00 H new ATOM 0 H4' DT B 14 -1.807 8.012 -2.898 1.00 0.00 H new ATOM 0 H3' DT B 14 -2.524 8.629 -5.677 1.00 0.00 H new ATOM 0 H2' DT B 14 -1.835 6.485 -6.453 1.00 0.00 H new ATOM 0 H2'' DT B 14 -0.255 7.229 -6.302 1.00 0.00 H new ATOM 0 H1' DT B 14 0.143 6.275 -4.139 1.00 0.00 H new ATOM 0 H3 DT B 14 1.152 1.928 -4.383 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.784 2.573 -6.439 1.00 0.00 H new ATOM 0 H72 DT B 14 -2.649 2.105 -7.728 1.00 0.00 H new ATOM 0 H73 DT B 14 -2.975 0.989 -6.381 1.00 0.00 H new ATOM 0 H6 DT B 14 -2.592 4.562 -5.874 1.00 0.00 H new ATOM 284 P DA B 15 -0.156 10.103 -5.817 1.00 0.00 P ATOM 285 OP1 DA B 15 0.325 11.333 -5.149 1.00 0.00 O ATOM 286 OP2 DA B 15 -1.055 10.205 -6.986 1.00 0.00 O ATOM 287 O5' DA B 15 1.118 9.220 -6.230 1.00 0.00 O ATOM 288 C5' DA B 15 2.260 9.163 -5.402 1.00 0.00 C ATOM 289 C4' DA B 15 3.292 8.168 -5.938 1.00 0.00 C ATOM 290 O4' DA B 15 2.883 6.820 -5.759 1.00 0.00 O ATOM 291 C3' DA B 15 3.608 8.371 -7.422 1.00 0.00 C ATOM 292 O3' DA B 15 4.895 8.965 -7.540 1.00 0.00 O ATOM 293 C2' DA B 15 3.518 6.955 -7.953 1.00 0.00 C ATOM 294 C1' DA B 15 3.553 6.047 -6.734 1.00 0.00 C ATOM 295 N9 DA B 15 2.849 4.776 -6.987 1.00 0.00 N ATOM 296 C8 DA B 15 1.628 4.645 -7.574 1.00 0.00 C ATOM 297 N7 DA B 15 1.237 3.414 -7.761 1.00 0.00 N ATOM 298 C5 DA B 15 2.286 2.671 -7.222 1.00 0.00 C ATOM 299 C6 DA B 15 2.512 1.289 -7.090 1.00 0.00 C ATOM 300 N6 DA B 15 1.644 0.382 -7.532 1.00 0.00 N ATOM 301 N1 DA B 15 3.628 0.860 -6.481 1.00 0.00 N ATOM 302 C2 DA B 15 4.488 1.767 -6.027 1.00 0.00 C ATOM 303 N3 DA B 15 4.414 3.091 -6.113 1.00 0.00 N ATOM 304 C4 DA B 15 3.268 3.490 -6.725 1.00 0.00 C ATOM 0 H5' DA B 15 1.965 8.875 -4.393 1.00 0.00 H new ATOM 0 H5'' DA B 15 2.710 10.153 -5.332 1.00 0.00 H new ATOM 0 H4' DA B 15 4.190 8.366 -5.352 1.00 0.00 H new ATOM 0 H3' DA B 15 2.949 9.041 -7.975 1.00 0.00 H new ATOM 0 H2' DA B 15 2.600 6.809 -8.522 1.00 0.00 H new ATOM 0 H2'' DA B 15 4.348 6.737 -8.626 1.00 0.00 H new ATOM 0 H1' DA B 15 4.561 5.755 -6.441 1.00 0.00 H new ATOM 0 H8 DA B 15 1.028 5.495 -7.863 1.00 0.00 H new ATOM 0 H61 DA B 15 1.843 -0.612 -7.418 1.00 0.00 H new ATOM 0 H62 DA B 15 0.780 0.681 -7.984 1.00 0.00 H new ATOM 0 H2 DA B 15 5.360 1.377 -5.523 1.00 0.00 H new ATOM 305 P DC B 16 5.627 9.227 -8.954 1.00 0.00 P ATOM 306 OP1 DC B 16 6.646 10.283 -8.770 1.00 0.00 O ATOM 307 OP2 DC B 16 4.599 9.373 -10.007 1.00 0.00 O ATOM 308 O5' DC B 16 6.403 7.840 -9.210 1.00 0.00 O ATOM 309 C5' DC B 16 7.455 7.428 -8.359 1.00 0.00 C ATOM 310 C4' DC B 16 7.775 5.948 -8.589 1.00 0.00 C ATOM 311 O4' DC B 16 6.632 5.142 -8.375 1.00 0.00 O ATOM 312 C3' DC B 16 8.208 5.621 -10.016 1.00 0.00 C ATOM 313 O3' DC B 16 9.595 5.811 -10.204 1.00 0.00 O ATOM 314 C2' DC B 16 7.835 4.145 -10.147 1.00 0.00 C ATOM 315 C1' DC B 16 6.874 3.885 -8.978 1.00 0.00 C ATOM 316 N1 DC B 16 5.601 3.269 -9.439 1.00 0.00 N ATOM 317 C2 DC B 16 5.439 1.893 -9.337 1.00 0.00 C ATOM 318 O2 DC B 16 6.343 1.172 -8.923 1.00 0.00 O ATOM 319 N3 DC B 16 4.260 1.333 -9.730 1.00 0.00 N ATOM 320 C4 DC B 16 3.279 2.092 -10.229 1.00 0.00 C ATOM 321 N4 DC B 16 2.130 1.503 -10.538 1.00 0.00 N ATOM 322 C5 DC B 16 3.439 3.501 -10.402 1.00 0.00 C ATOM 323 C6 DC B 16 4.613 4.036 -9.993 1.00 0.00 C ATOM 0 H5' DC B 16 7.174 7.589 -7.318 1.00 0.00 H new ATOM 0 H5'' DC B 16 8.342 8.033 -8.547 1.00 0.00 H new ATOM 0 H4' DC B 16 8.586 5.746 -7.889 1.00 0.00 H new ATOM 0 H3' DC B 16 7.736 6.263 -10.760 1.00 0.00 H new ATOM 0 H2' DC B 16 7.358 3.940 -11.106 1.00 0.00 H new ATOM 0 H2'' DC B 16 8.716 3.506 -10.086 1.00 0.00 H new ATOM 0 HO3' DC B 16 9.833 5.590 -11.129 1.00 0.00 H new ATOM 0 H1' DC B 16 7.313 3.180 -8.272 1.00 0.00 H new ATOM 0 H41 DC B 16 1.361 2.054 -10.921 1.00 0.00 H new ATOM 0 H42 DC B 16 2.016 0.500 -10.393 1.00 0.00 H new ATOM 0 H5 DC B 16 2.661 4.110 -10.838 1.00 0.00 H new ATOM 0 H6 DC B 16 4.774 5.098 -10.107 1.00 0.00 H new TER 324 DC B 16