USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=5 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 26:sc= 0.00291 USER MOD Single : A 2 DT C7 :methyl -30:sc= 0 (180deg=-0.773) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.189 (180deg=-0.189) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot -28:sc= 0.00475 USER MOD Single : B 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 12 DT C7 :methyl 150:sc= -0.232 (180deg=-0.232) USER MOD Single : B 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.971 -8.907 -1.110 1.00 0.00 O ATOM 2 C5' DG A 1 3.142 -8.799 -1.895 1.00 0.00 C ATOM 3 C4' DG A 1 3.896 -7.501 -1.586 1.00 0.00 C ATOM 4 O4' DG A 1 3.063 -6.382 -1.862 1.00 0.00 O ATOM 5 C3' DG A 1 4.345 -7.412 -0.119 1.00 0.00 C ATOM 6 O3' DG A 1 5.711 -7.042 -0.093 1.00 0.00 O ATOM 7 C2' DG A 1 3.424 -6.318 0.416 1.00 0.00 C ATOM 8 C1' DG A 1 3.218 -5.446 -0.813 1.00 0.00 C ATOM 9 N9 DG A 1 2.016 -4.599 -0.675 1.00 0.00 N ATOM 10 C8 DG A 1 0.710 -4.986 -0.781 1.00 0.00 C ATOM 11 N7 DG A 1 -0.153 -4.036 -0.550 1.00 0.00 N ATOM 12 C5 DG A 1 0.643 -2.921 -0.297 1.00 0.00 C ATOM 13 C6 DG A 1 0.283 -1.570 -0.004 1.00 0.00 C ATOM 14 O6 DG A 1 -0.843 -1.105 0.153 1.00 0.00 O ATOM 15 N1 DG A 1 1.380 -0.724 0.083 1.00 0.00 N ATOM 16 C2 DG A 1 2.683 -1.140 -0.059 1.00 0.00 C ATOM 17 N2 DG A 1 3.656 -0.244 0.064 1.00 0.00 N ATOM 18 N3 DG A 1 3.031 -2.409 -0.286 1.00 0.00 N ATOM 19 C4 DG A 1 1.972 -3.250 -0.405 1.00 0.00 C ATOM 0 H5' DG A 1 2.879 -8.827 -2.952 1.00 0.00 H new ATOM 0 H5'' DG A 1 3.791 -9.654 -1.705 1.00 0.00 H new ATOM 0 H4' DG A 1 4.784 -7.499 -2.218 1.00 0.00 H new ATOM 0 H3' DG A 1 4.276 -8.330 0.465 1.00 0.00 H new ATOM 0 H2' DG A 1 2.484 -6.723 0.790 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.882 -5.765 1.236 1.00 0.00 H new ATOM 0 HO5' DG A 1 1.666 -8.012 -0.853 1.00 0.00 H new ATOM 0 H1' DG A 1 4.043 -4.753 -0.980 1.00 0.00 H new ATOM 0 H8 DG A 1 0.417 -5.994 -1.035 1.00 0.00 H new ATOM 0 H1 DG A 1 1.209 0.265 0.263 1.00 0.00 H new ATOM 0 H21 DG A 1 4.629 -0.531 -0.038 1.00 0.00 H new ATOM 0 H22 DG A 1 3.430 0.731 0.260 1.00 0.00 H new ATOM 20 P DT A 2 6.530 -6.847 1.281 1.00 0.00 P ATOM 21 OP1 DT A 2 7.910 -7.336 1.080 1.00 0.00 O ATOM 22 OP2 DT A 2 5.715 -7.370 2.400 1.00 0.00 O ATOM 23 O5' DT A 2 6.571 -5.248 1.409 1.00 0.00 O ATOM 24 C5' DT A 2 7.202 -4.451 0.421 1.00 0.00 C ATOM 25 C4' DT A 2 7.210 -2.988 0.870 1.00 0.00 C ATOM 26 O4' DT A 2 5.879 -2.548 1.050 1.00 0.00 O ATOM 27 C3' DT A 2 7.972 -2.812 2.190 1.00 0.00 C ATOM 28 O3' DT A 2 8.866 -1.724 2.050 1.00 0.00 O ATOM 29 C2' DT A 2 6.842 -2.533 3.174 1.00 0.00 C ATOM 30 C1' DT A 2 5.787 -1.893 2.293 1.00 0.00 C ATOM 31 N1 DT A 2 4.406 -2.009 2.819 1.00 0.00 N ATOM 32 C2 DT A 2 3.658 -0.856 3.050 1.00 0.00 C ATOM 33 O2 DT A 2 4.125 0.279 3.017 1.00 0.00 O ATOM 34 N3 DT A 2 2.314 -1.043 3.304 1.00 0.00 N ATOM 35 C4 DT A 2 1.665 -2.254 3.392 1.00 0.00 C ATOM 36 O4 DT A 2 0.451 -2.286 3.570 1.00 0.00 O ATOM 37 C5 DT A 2 2.528 -3.408 3.236 1.00 0.00 C ATOM 38 C7 DT A 2 1.963 -4.799 3.417 1.00 0.00 C ATOM 39 C6 DT A 2 3.839 -3.250 2.939 1.00 0.00 C ATOM 0 H5' DT A 2 6.676 -4.548 -0.529 1.00 0.00 H new ATOM 0 H5'' DT A 2 8.222 -4.797 0.257 1.00 0.00 H new ATOM 0 H4' DT A 2 7.709 -2.400 0.100 1.00 0.00 H new ATOM 0 H3' DT A 2 8.584 -3.657 2.507 1.00 0.00 H new ATOM 0 H2' DT A 2 6.478 -3.447 3.643 1.00 0.00 H new ATOM 0 H2'' DT A 2 7.159 -1.867 3.977 1.00 0.00 H new ATOM 0 H1' DT A 2 5.976 -0.821 2.234 1.00 0.00 H new ATOM 0 H3 DT A 2 1.748 -0.205 3.439 1.00 0.00 H new ATOM 0 H71 DT A 2 1.141 -4.768 4.132 1.00 0.00 H new ATOM 0 H72 DT A 2 1.597 -5.170 2.460 1.00 0.00 H new ATOM 0 H73 DT A 2 2.743 -5.463 3.790 1.00 0.00 H new ATOM 0 H6 DT A 2 4.454 -4.126 2.793 1.00 0.00 H new ATOM 40 P DA A 3 9.836 -1.247 3.242 1.00 0.00 P ATOM 41 OP1 DA A 3 11.108 -0.770 2.656 1.00 0.00 O ATOM 42 OP2 DA A 3 9.860 -2.286 4.296 1.00 0.00 O ATOM 43 O5' DA A 3 9.041 0.025 3.818 1.00 0.00 O ATOM 44 C5' DA A 3 8.862 1.187 3.028 1.00 0.00 C ATOM 45 C4' DA A 3 8.218 2.302 3.857 1.00 0.00 C ATOM 46 O4' DA A 3 6.875 1.971 4.159 1.00 0.00 O ATOM 47 C3' DA A 3 8.977 2.530 5.170 1.00 0.00 C ATOM 48 O3' DA A 3 9.200 3.926 5.267 1.00 0.00 O ATOM 49 C2' DA A 3 8.008 1.953 6.204 1.00 0.00 C ATOM 50 C1' DA A 3 6.646 2.147 5.540 1.00 0.00 C ATOM 51 N9 DA A 3 5.568 1.229 5.934 1.00 0.00 N ATOM 52 C8 DA A 3 5.625 -0.124 5.859 1.00 0.00 C ATOM 53 N7 DA A 3 4.491 -0.744 6.032 1.00 0.00 N ATOM 54 C5 DA A 3 3.596 0.310 6.200 1.00 0.00 C ATOM 55 C6 DA A 3 2.199 0.361 6.352 1.00 0.00 C ATOM 56 N6 DA A 3 1.460 -0.743 6.323 1.00 0.00 N ATOM 57 N1 DA A 3 1.587 1.551 6.462 1.00 0.00 N ATOM 58 C2 DA A 3 2.336 2.648 6.411 1.00 0.00 C ATOM 59 N3 DA A 3 3.650 2.743 6.242 1.00 0.00 N ATOM 60 C4 DA A 3 4.235 1.521 6.136 1.00 0.00 C ATOM 0 H5' DA A 3 8.234 0.956 2.167 1.00 0.00 H new ATOM 0 H5'' DA A 3 9.824 1.523 2.640 1.00 0.00 H new ATOM 0 H4' DA A 3 8.255 3.216 3.264 1.00 0.00 H new ATOM 0 H3' DA A 3 9.957 2.066 5.283 1.00 0.00 H new ATOM 0 H2' DA A 3 8.213 0.902 6.407 1.00 0.00 H new ATOM 0 H2'' DA A 3 8.072 2.480 7.156 1.00 0.00 H new ATOM 0 H1' DA A 3 6.287 3.129 5.849 1.00 0.00 H new ATOM 0 H8 DA A 3 6.548 -0.652 5.669 1.00 0.00 H new ATOM 0 H61 DA A 3 0.448 -0.682 6.435 1.00 0.00 H new ATOM 0 H62 DA A 3 1.905 -1.651 6.188 1.00 0.00 H new ATOM 0 H2 DA A 3 1.808 3.583 6.521 1.00 0.00 H new ATOM 61 P DT A 4 9.791 4.644 6.575 1.00 0.00 P ATOM 62 OP1 DT A 4 10.502 5.874 6.163 1.00 0.00 O ATOM 63 OP2 DT A 4 10.475 3.640 7.422 1.00 0.00 O ATOM 64 O5' DT A 4 8.418 5.067 7.286 1.00 0.00 O ATOM 65 C5' DT A 4 7.528 5.963 6.645 1.00 0.00 C ATOM 66 C4' DT A 4 6.318 6.231 7.537 1.00 0.00 C ATOM 67 O4' DT A 4 5.545 5.051 7.666 1.00 0.00 O ATOM 68 C3' DT A 4 6.775 6.678 8.931 1.00 0.00 C ATOM 69 O3' DT A 4 6.135 7.930 9.136 1.00 0.00 O ATOM 70 C2' DT A 4 6.262 5.546 9.826 1.00 0.00 C ATOM 71 C1' DT A 4 5.140 4.904 9.011 1.00 0.00 C ATOM 72 N1 DT A 4 4.757 3.491 9.293 1.00 0.00 N ATOM 73 C2 DT A 4 3.403 3.167 9.374 1.00 0.00 C ATOM 74 O2 DT A 4 2.498 3.993 9.403 1.00 0.00 O ATOM 75 N3 DT A 4 3.086 1.824 9.410 1.00 0.00 N ATOM 76 C4 DT A 4 3.977 0.781 9.394 1.00 0.00 C ATOM 77 O4 DT A 4 3.564 -0.375 9.352 1.00 0.00 O ATOM 78 C5 DT A 4 5.368 1.187 9.373 1.00 0.00 C ATOM 79 C7 DT A 4 6.440 0.120 9.447 1.00 0.00 C ATOM 80 C6 DT A 4 5.703 2.502 9.294 1.00 0.00 C ATOM 0 H5' DT A 4 7.202 5.544 5.693 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.040 6.899 6.423 1.00 0.00 H new ATOM 0 H4' DT A 4 5.719 7.019 7.080 1.00 0.00 H new ATOM 0 H3' DT A 4 7.840 6.825 9.108 1.00 0.00 H new ATOM 0 H2' DT A 4 7.051 4.829 10.052 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.895 5.927 10.779 1.00 0.00 H new ATOM 0 H1' DT A 4 4.218 5.415 9.288 1.00 0.00 H new ATOM 0 H3 DT A 4 2.095 1.584 9.453 1.00 0.00 H new ATOM 0 H71 DT A 4 7.328 0.459 8.914 1.00 0.00 H new ATOM 0 H72 DT A 4 6.693 -0.069 10.490 1.00 0.00 H new ATOM 0 H73 DT A 4 6.071 -0.799 8.991 1.00 0.00 H new ATOM 0 H6 DT A 4 6.746 2.774 9.230 1.00 0.00 H new ATOM 81 P DA A 5 6.019 8.659 10.560 1.00 0.00 P ATOM 82 OP1 DA A 5 5.815 10.106 10.324 1.00 0.00 O ATOM 83 OP2 DA A 5 7.125 8.204 11.432 1.00 0.00 O ATOM 84 O5' DA A 5 4.639 8.032 11.095 1.00 0.00 O ATOM 85 C5' DA A 5 3.432 8.242 10.385 1.00 0.00 C ATOM 86 C4' DA A 5 2.221 7.759 11.190 1.00 0.00 C ATOM 87 O4' DA A 5 2.181 6.343 11.252 1.00 0.00 O ATOM 88 C3' DA A 5 2.293 8.304 12.617 1.00 0.00 C ATOM 89 O3' DA A 5 1.012 8.832 12.906 1.00 0.00 O ATOM 90 C2' DA A 5 2.648 7.047 13.411 1.00 0.00 C ATOM 91 C1' DA A 5 2.023 5.917 12.594 1.00 0.00 C ATOM 92 N9 DA A 5 2.576 4.548 12.735 1.00 0.00 N ATOM 93 C8 DA A 5 3.883 4.166 12.808 1.00 0.00 C ATOM 94 N7 DA A 5 4.112 2.895 12.624 1.00 0.00 N ATOM 95 C5 DA A 5 2.829 2.375 12.520 1.00 0.00 C ATOM 96 C6 DA A 5 2.338 1.064 12.399 1.00 0.00 C ATOM 97 N6 DA A 5 3.129 0.001 12.261 1.00 0.00 N ATOM 98 N1 DA A 5 1.024 0.856 12.529 1.00 0.00 N ATOM 99 C2 DA A 5 0.219 1.895 12.708 1.00 0.00 C ATOM 100 N3 DA A 5 0.542 3.180 12.756 1.00 0.00 N ATOM 101 C4 DA A 5 1.884 3.361 12.656 1.00 0.00 C ATOM 0 H5' DA A 5 3.472 7.714 9.432 1.00 0.00 H new ATOM 0 H5'' DA A 5 3.321 9.302 10.158 1.00 0.00 H new ATOM 0 H4' DA A 5 1.323 8.122 10.689 1.00 0.00 H new ATOM 0 H3' DA A 5 3.006 9.102 12.825 1.00 0.00 H new ATOM 0 H2' DA A 5 3.727 6.924 13.506 1.00 0.00 H new ATOM 0 H2'' DA A 5 2.242 7.083 14.422 1.00 0.00 H new ATOM 0 H1' DA A 5 1.004 5.783 12.956 1.00 0.00 H new ATOM 0 H8 DA A 5 4.677 4.870 13.005 1.00 0.00 H new ATOM 0 H61 DA A 5 2.722 -0.930 12.177 1.00 0.00 H new ATOM 0 H62 DA A 5 4.142 0.119 12.239 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.829 1.666 12.830 1.00 0.00 H new ATOM 102 P DA A 6 0.602 9.367 14.358 1.00 0.00 P ATOM 103 OP1 DA A 6 -0.530 10.309 14.210 1.00 0.00 O ATOM 104 OP2 DA A 6 1.823 9.786 15.082 1.00 0.00 O ATOM 105 O5' DA A 6 0.060 8.004 15.015 1.00 0.00 O ATOM 106 C5' DA A 6 -1.116 7.384 14.528 1.00 0.00 C ATOM 107 C4' DA A 6 -1.478 6.161 15.376 1.00 0.00 C ATOM 108 O4' DA A 6 -0.689 5.020 15.063 1.00 0.00 O ATOM 109 C3' DA A 6 -1.362 6.438 16.881 1.00 0.00 C ATOM 110 O3' DA A 6 -2.632 6.154 17.449 1.00 0.00 O ATOM 111 C2' DA A 6 -0.231 5.491 17.292 1.00 0.00 C ATOM 112 C1' DA A 6 -0.306 4.370 16.261 1.00 0.00 C ATOM 113 N9 DA A 6 0.897 3.528 16.060 1.00 0.00 N ATOM 114 C8 DA A 6 2.181 3.924 15.807 1.00 0.00 C ATOM 115 N7 DA A 6 3.038 2.953 15.651 1.00 0.00 N ATOM 116 C5 DA A 6 2.239 1.821 15.717 1.00 0.00 C ATOM 117 C6 DA A 6 2.508 0.457 15.512 1.00 0.00 C ATOM 118 N6 DA A 6 3.732 0.016 15.237 1.00 0.00 N ATOM 119 N1 DA A 6 1.491 -0.416 15.501 1.00 0.00 N ATOM 120 C2 DA A 6 0.263 0.039 15.721 1.00 0.00 C ATOM 121 N3 DA A 6 -0.120 1.288 15.957 1.00 0.00 N ATOM 122 C4 DA A 6 0.926 2.154 15.925 1.00 0.00 C ATOM 0 H5' DA A 6 -0.971 7.083 13.491 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.940 8.097 14.540 1.00 0.00 H new ATOM 0 H4' DA A 6 -2.518 5.949 15.128 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.127 7.454 17.199 1.00 0.00 H new ATOM 0 H2' DA A 6 0.737 5.991 17.271 1.00 0.00 H new ATOM 0 H2'' DA A 6 -0.373 5.114 18.305 1.00 0.00 H new ATOM 0 H1' DA A 6 -1.011 3.623 16.626 1.00 0.00 H new ATOM 0 H8 DA A 6 2.465 4.964 15.741 1.00 0.00 H new ATOM 0 H61 DA A 6 3.895 -0.981 15.093 1.00 0.00 H new ATOM 0 H62 DA A 6 4.508 0.674 15.170 1.00 0.00 H new ATOM 0 H2 DA A 6 -0.524 -0.701 15.706 1.00 0.00 H new ATOM 123 P DT A 7 -2.915 6.130 19.033 1.00 0.00 P ATOM 124 OP1 DT A 7 -4.350 6.421 19.257 1.00 0.00 O ATOM 125 OP2 DT A 7 -1.886 6.932 19.732 1.00 0.00 O ATOM 126 O5' DT A 7 -2.663 4.574 19.339 1.00 0.00 O ATOM 127 C5' DT A 7 -3.511 3.605 18.751 1.00 0.00 C ATOM 128 C4' DT A 7 -3.097 2.176 19.100 1.00 0.00 C ATOM 129 O4' DT A 7 -1.843 1.840 18.540 1.00 0.00 O ATOM 130 C3' DT A 7 -3.057 1.926 20.613 1.00 0.00 C ATOM 131 O3' DT A 7 -4.037 0.923 20.849 1.00 0.00 O ATOM 132 C2' DT A 7 -1.619 1.453 20.824 1.00 0.00 C ATOM 133 C1' DT A 7 -1.170 0.991 19.445 1.00 0.00 C ATOM 134 N1 DT A 7 0.296 0.979 19.233 1.00 0.00 N ATOM 135 C2 DT A 7 0.928 -0.214 18.904 1.00 0.00 C ATOM 136 O2 DT A 7 0.350 -1.292 18.805 1.00 0.00 O ATOM 137 N3 DT A 7 2.282 -0.135 18.659 1.00 0.00 N ATOM 138 C4 DT A 7 3.069 0.988 18.731 1.00 0.00 C ATOM 139 O4 DT A 7 4.270 0.901 18.478 1.00 0.00 O ATOM 140 C5 DT A 7 2.326 2.201 19.022 1.00 0.00 C ATOM 141 C7 DT A 7 3.024 3.542 19.005 1.00 0.00 C ATOM 142 C6 DT A 7 0.988 2.153 19.246 1.00 0.00 C ATOM 0 H5' DT A 7 -3.502 3.728 17.668 1.00 0.00 H new ATOM 0 H5'' DT A 7 -4.535 3.774 19.083 1.00 0.00 H new ATOM 0 H4' DT A 7 -3.866 1.536 18.667 1.00 0.00 H new ATOM 0 H3' DT A 7 -3.278 2.759 21.280 1.00 0.00 H new ATOM 0 H2' DT A 7 -0.987 2.257 21.200 1.00 0.00 H new ATOM 0 H2'' DT A 7 -1.569 0.642 21.551 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.425 -0.059 19.302 1.00 0.00 H new ATOM 0 H3 DT A 7 2.749 -1.003 18.396 1.00 0.00 H new ATOM 0 H71 DT A 7 2.315 4.317 18.714 1.00 0.00 H new ATOM 0 H72 DT A 7 3.414 3.762 19.999 1.00 0.00 H new ATOM 0 H73 DT A 7 3.846 3.515 18.290 1.00 0.00 H new ATOM 0 H6 DT A 7 0.456 3.073 19.440 1.00 0.00 H new ATOM 143 P DG A 8 -4.283 0.216 22.274 1.00 0.00 P ATOM 144 OP1 DG A 8 -5.738 -0.004 22.426 1.00 0.00 O ATOM 145 OP2 DG A 8 -3.539 0.961 23.314 1.00 0.00 O ATOM 146 O5' DG A 8 -3.577 -1.220 22.056 1.00 0.00 O ATOM 147 C5' DG A 8 -4.106 -2.155 21.128 1.00 0.00 C ATOM 148 C4' DG A 8 -3.246 -3.426 21.064 1.00 0.00 C ATOM 149 O4' DG A 8 -1.948 -3.056 20.618 1.00 0.00 O ATOM 150 C3' DG A 8 -3.087 -4.093 22.438 1.00 0.00 C ATOM 151 O3' DG A 8 -3.154 -5.498 22.318 1.00 0.00 O ATOM 152 C2' DG A 8 -1.676 -3.679 22.820 1.00 0.00 C ATOM 153 C1' DG A 8 -0.992 -3.668 21.458 1.00 0.00 C ATOM 154 N9 DG A 8 0.252 -2.880 21.496 1.00 0.00 N ATOM 155 C8 DG A 8 0.361 -1.591 21.911 1.00 0.00 C ATOM 156 N7 DG A 8 1.550 -1.075 21.801 1.00 0.00 N ATOM 157 C5 DG A 8 2.300 -2.125 21.278 1.00 0.00 C ATOM 158 C6 DG A 8 3.677 -2.174 20.914 1.00 0.00 C ATOM 159 O6 DG A 8 4.486 -1.251 20.901 1.00 0.00 O ATOM 160 N1 DG A 8 4.090 -3.446 20.546 1.00 0.00 N ATOM 161 C2 DG A 8 3.255 -4.537 20.469 1.00 0.00 C ATOM 162 N2 DG A 8 3.785 -5.703 20.111 1.00 0.00 N ATOM 163 N3 DG A 8 1.944 -4.486 20.733 1.00 0.00 N ATOM 164 C4 DG A 8 1.526 -3.252 21.132 1.00 0.00 C ATOM 0 H5' DG A 8 -4.159 -1.699 20.139 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.125 -2.417 21.413 1.00 0.00 H new ATOM 0 H4' DG A 8 -3.738 -4.130 20.393 1.00 0.00 H new ATOM 0 H3' DG A 8 -3.855 -3.808 23.157 1.00 0.00 H new ATOM 0 H2' DG A 8 -1.650 -2.701 23.301 1.00 0.00 H new ATOM 0 H2'' DG A 8 -1.212 -4.386 23.508 1.00 0.00 H new ATOM 0 HO3' DG A 8 -3.049 -5.907 23.202 1.00 0.00 H new ATOM 0 H1' DG A 8 -0.701 -4.663 21.122 1.00 0.00 H new ATOM 0 H8 DG A 8 -0.478 -1.035 22.303 1.00 0.00 H new ATOM 0 H1 DG A 8 5.075 -3.581 20.318 1.00 0.00 H new ATOM 0 H21 DG A 8 3.195 -6.532 20.044 1.00 0.00 H new ATOM 0 H22 DG A 8 4.782 -5.768 19.904 1.00 0.00 H new TER 165 DG A 8 ATOM 166 O5' DC B 9 13.119 -6.855 20.841 1.00 0.00 O ATOM 167 C5' DC B 9 12.641 -7.087 19.535 1.00 0.00 C ATOM 168 C4' DC B 9 11.143 -7.395 19.579 1.00 0.00 C ATOM 169 O4' DC B 9 10.441 -6.274 20.097 1.00 0.00 O ATOM 170 C3' DC B 9 10.581 -7.690 18.179 1.00 0.00 C ATOM 171 O3' DC B 9 9.823 -8.885 18.249 1.00 0.00 O ATOM 172 C2' DC B 9 9.719 -6.456 17.930 1.00 0.00 C ATOM 173 C1' DC B 9 9.259 -6.122 19.338 1.00 0.00 C ATOM 174 N1 DC B 9 8.712 -4.745 19.462 1.00 0.00 N ATOM 175 C2 DC B 9 7.349 -4.572 19.694 1.00 0.00 C ATOM 176 O2 DC B 9 6.580 -5.527 19.759 1.00 0.00 O ATOM 177 N3 DC B 9 6.855 -3.314 19.868 1.00 0.00 N ATOM 178 C4 DC B 9 7.671 -2.257 19.798 1.00 0.00 C ATOM 179 N4 DC B 9 7.149 -1.049 19.967 1.00 0.00 N ATOM 180 C5 DC B 9 9.074 -2.399 19.556 1.00 0.00 C ATOM 181 C6 DC B 9 9.543 -3.657 19.400 1.00 0.00 C ATOM 0 H5' DC B 9 13.180 -7.920 19.083 1.00 0.00 H new ATOM 0 H5'' DC B 9 12.824 -6.213 18.910 1.00 0.00 H new ATOM 0 H4' DC B 9 11.012 -8.273 20.211 1.00 0.00 H new ATOM 0 H3' DC B 9 11.312 -7.847 17.386 1.00 0.00 H new ATOM 0 H2' DC B 9 10.287 -5.642 17.480 1.00 0.00 H new ATOM 0 H2'' DC B 9 8.882 -6.667 17.264 1.00 0.00 H new ATOM 0 HO5' DC B 9 12.395 -6.497 21.396 1.00 0.00 H new ATOM 0 H1' DC B 9 8.437 -6.759 19.665 1.00 0.00 H new ATOM 0 H41 DC B 9 7.747 -0.224 19.919 1.00 0.00 H new ATOM 0 H42 DC B 9 6.150 -0.945 20.145 1.00 0.00 H new ATOM 0 H5 DC B 9 9.728 -1.541 19.501 1.00 0.00 H new ATOM 0 H6 DC B 9 10.597 -3.808 19.222 1.00 0.00 H new ATOM 182 P DA B 10 9.113 -9.532 16.955 1.00 0.00 P ATOM 183 OP1 DA B 10 9.222 -11.001 17.079 1.00 0.00 O ATOM 184 OP2 DA B 10 9.645 -8.858 15.751 1.00 0.00 O ATOM 185 O5' DA B 10 7.567 -9.129 17.123 1.00 0.00 O ATOM 186 C5' DA B 10 6.788 -9.656 18.184 1.00 0.00 C ATOM 187 C4' DA B 10 5.304 -9.338 17.972 1.00 0.00 C ATOM 188 O4' DA B 10 5.081 -7.946 18.117 1.00 0.00 O ATOM 189 C3' DA B 10 4.852 -9.775 16.573 1.00 0.00 C ATOM 190 O3' DA B 10 3.624 -10.460 16.746 1.00 0.00 O ATOM 191 C2' DA B 10 4.728 -8.432 15.861 1.00 0.00 C ATOM 192 C1' DA B 10 4.399 -7.454 16.979 1.00 0.00 C ATOM 193 N9 DA B 10 4.853 -6.069 16.768 1.00 0.00 N ATOM 194 C8 DA B 10 6.135 -5.685 16.528 1.00 0.00 C ATOM 195 N7 DA B 10 6.367 -4.407 16.649 1.00 0.00 N ATOM 196 C5 DA B 10 5.115 -3.903 16.989 1.00 0.00 C ATOM 197 C6 DA B 10 4.650 -2.611 17.286 1.00 0.00 C ATOM 198 N6 DA B 10 5.442 -1.542 17.327 1.00 0.00 N ATOM 199 N1 DA B 10 3.345 -2.431 17.510 1.00 0.00 N ATOM 200 C2 DA B 10 2.523 -3.472 17.482 1.00 0.00 C ATOM 201 N3 DA B 10 2.840 -4.744 17.265 1.00 0.00 N ATOM 202 C4 DA B 10 4.172 -4.900 17.033 1.00 0.00 C ATOM 0 H5' DA B 10 7.124 -9.236 19.132 1.00 0.00 H new ATOM 0 H5'' DA B 10 6.929 -10.735 18.245 1.00 0.00 H new ATOM 0 H4' DA B 10 4.729 -9.884 18.720 1.00 0.00 H new ATOM 0 H3' DA B 10 5.498 -10.450 16.012 1.00 0.00 H new ATOM 0 H2' DA B 10 5.654 -8.162 15.354 1.00 0.00 H new ATOM 0 H2'' DA B 10 3.944 -8.452 15.104 1.00 0.00 H new ATOM 0 H1' DA B 10 3.313 -7.400 17.059 1.00 0.00 H new ATOM 0 H8 DA B 10 6.908 -6.389 16.256 1.00 0.00 H new ATOM 0 H61 DA B 10 5.051 -0.626 17.548 1.00 0.00 H new ATOM 0 H62 DA B 10 6.440 -1.639 17.137 1.00 0.00 H new ATOM 0 H2 DA B 10 1.478 -3.262 17.655 1.00 0.00 H new ATOM 203 P DT B 11 2.679 -10.899 15.523 1.00 0.00 P ATOM 204 OP1 DT B 11 1.968 -12.143 15.893 1.00 0.00 O ATOM 205 OP2 DT B 11 3.438 -10.825 14.256 1.00 0.00 O ATOM 206 O5' DT B 11 1.622 -9.695 15.556 1.00 0.00 O ATOM 207 C5' DT B 11 0.796 -9.519 16.690 1.00 0.00 C ATOM 208 C4' DT B 11 -0.121 -8.313 16.503 1.00 0.00 C ATOM 209 O4' DT B 11 0.653 -7.141 16.331 1.00 0.00 O ATOM 210 C3' DT B 11 -1.041 -8.497 15.290 1.00 0.00 C ATOM 211 O3' DT B 11 -2.377 -8.450 15.765 1.00 0.00 O ATOM 212 C2' DT B 11 -0.659 -7.313 14.399 1.00 0.00 C ATOM 213 C1' DT B 11 0.029 -6.337 15.353 1.00 0.00 C ATOM 214 N1 DT B 11 0.939 -5.317 14.791 1.00 0.00 N ATOM 215 C2 DT B 11 0.699 -3.959 15.005 1.00 0.00 C ATOM 216 O2 DT B 11 -0.334 -3.505 15.485 1.00 0.00 O ATOM 217 N3 DT B 11 1.711 -3.092 14.643 1.00 0.00 N ATOM 218 C4 DT B 11 2.951 -3.446 14.165 1.00 0.00 C ATOM 219 O4 DT B 11 3.815 -2.589 13.999 1.00 0.00 O ATOM 220 C5 DT B 11 3.118 -4.874 13.965 1.00 0.00 C ATOM 221 C7 DT B 11 4.408 -5.402 13.398 1.00 0.00 C ATOM 222 C6 DT B 11 2.128 -5.737 14.297 1.00 0.00 C ATOM 0 H5' DT B 11 1.413 -9.380 17.578 1.00 0.00 H new ATOM 0 H5'' DT B 11 0.198 -10.416 16.854 1.00 0.00 H new ATOM 0 H4' DT B 11 -0.740 -8.221 17.396 1.00 0.00 H new ATOM 0 H3' DT B 11 -0.948 -9.434 14.741 1.00 0.00 H new ATOM 0 H2' DT B 11 0.007 -7.619 13.593 1.00 0.00 H new ATOM 0 H2'' DT B 11 -1.537 -6.864 13.934 1.00 0.00 H new ATOM 0 H1' DT B 11 -0.744 -5.678 15.749 1.00 0.00 H new ATOM 0 H3 DT B 11 1.521 -2.095 14.739 1.00 0.00 H new ATOM 0 H71 DT B 11 4.593 -6.404 13.786 1.00 0.00 H new ATOM 0 H72 DT B 11 4.339 -5.441 12.311 1.00 0.00 H new ATOM 0 H73 DT B 11 5.228 -4.744 13.686 1.00 0.00 H new ATOM 0 H6 DT B 11 2.292 -6.796 14.163 1.00 0.00 H new ATOM 223 P DT B 12 -3.659 -8.540 14.796 1.00 0.00 P ATOM 224 OP1 DT B 12 -4.798 -9.060 15.584 1.00 0.00 O ATOM 225 OP2 DT B 12 -3.270 -9.208 13.534 1.00 0.00 O ATOM 226 O5' DT B 12 -3.927 -6.991 14.488 1.00 0.00 O ATOM 227 C5' DT B 12 -4.316 -6.115 15.527 1.00 0.00 C ATOM 228 C4' DT B 12 -4.363 -4.669 15.035 1.00 0.00 C ATOM 229 O4' DT B 12 -3.074 -4.188 14.700 1.00 0.00 O ATOM 230 C3' DT B 12 -5.271 -4.481 13.815 1.00 0.00 C ATOM 231 O3' DT B 12 -6.253 -3.533 14.195 1.00 0.00 O ATOM 232 C2' DT B 12 -4.303 -3.974 12.741 1.00 0.00 C ATOM 233 C1' DT B 12 -3.200 -3.336 13.579 1.00 0.00 C ATOM 234 N1 DT B 12 -1.910 -3.086 12.910 1.00 0.00 N ATOM 235 C2 DT B 12 -1.349 -1.810 12.920 1.00 0.00 C ATOM 236 O2 DT B 12 -1.915 -0.808 13.346 1.00 0.00 O ATOM 237 N3 DT B 12 -0.076 -1.700 12.404 1.00 0.00 N ATOM 238 C4 DT B 12 0.676 -2.717 11.869 1.00 0.00 C ATOM 239 O4 DT B 12 1.824 -2.499 11.495 1.00 0.00 O ATOM 240 C5 DT B 12 0.014 -4.005 11.880 1.00 0.00 C ATOM 241 C7 DT B 12 0.694 -5.228 11.332 1.00 0.00 C ATOM 242 C6 DT B 12 -1.222 -4.143 12.410 1.00 0.00 C ATOM 0 H5' DT B 12 -3.616 -6.197 16.358 1.00 0.00 H new ATOM 0 H5'' DT B 12 -5.296 -6.406 15.905 1.00 0.00 H new ATOM 0 H4' DT B 12 -4.772 -4.101 15.870 1.00 0.00 H new ATOM 0 H3' DT B 12 -5.803 -5.360 13.451 1.00 0.00 H new ATOM 0 H2' DT B 12 -3.924 -4.785 12.118 1.00 0.00 H new ATOM 0 H2'' DT B 12 -4.776 -3.254 12.074 1.00 0.00 H new ATOM 0 H1' DT B 12 -3.489 -2.316 13.831 1.00 0.00 H new ATOM 0 H3 DT B 12 0.349 -0.773 12.421 1.00 0.00 H new ATOM 0 H71 DT B 12 0.341 -6.110 11.866 1.00 0.00 H new ATOM 0 H72 DT B 12 0.463 -5.328 10.272 1.00 0.00 H new ATOM 0 H73 DT B 12 1.772 -5.133 11.461 1.00 0.00 H new ATOM 0 H6 DT B 12 -1.675 -5.123 12.436 1.00 0.00 H new ATOM 243 P DA B 13 -7.374 -2.983 13.187 1.00 0.00 P ATOM 244 OP1 DA B 13 -8.568 -2.608 13.976 1.00 0.00 O ATOM 245 OP2 DA B 13 -7.499 -3.923 12.054 1.00 0.00 O ATOM 246 O5' DA B 13 -6.669 -1.640 12.663 1.00 0.00 O ATOM 247 C5' DA B 13 -6.453 -0.556 13.547 1.00 0.00 C ATOM 248 C4' DA B 13 -5.952 0.671 12.785 1.00 0.00 C ATOM 249 O4' DA B 13 -4.626 0.478 12.350 1.00 0.00 O ATOM 250 C3' DA B 13 -6.839 0.974 11.574 1.00 0.00 C ATOM 251 O3' DA B 13 -7.148 2.352 11.656 1.00 0.00 O ATOM 252 C2' DA B 13 -5.927 0.608 10.404 1.00 0.00 C ATOM 253 C1' DA B 13 -4.540 0.839 10.992 1.00 0.00 C ATOM 254 N9 DA B 13 -3.421 0.118 10.376 1.00 0.00 N ATOM 255 C8 DA B 13 -3.306 -1.227 10.280 1.00 0.00 C ATOM 256 N7 DA B 13 -2.144 -1.662 9.875 1.00 0.00 N ATOM 257 C5 DA B 13 -1.414 -0.483 9.737 1.00 0.00 C ATOM 258 C6 DA B 13 -0.071 -0.215 9.425 1.00 0.00 C ATOM 259 N6 DA B 13 0.801 -1.182 9.158 1.00 0.00 N ATOM 260 N1 DA B 13 0.373 1.049 9.462 1.00 0.00 N ATOM 261 C2 DA B 13 -0.484 2.015 9.778 1.00 0.00 C ATOM 262 N3 DA B 13 -1.767 1.903 10.089 1.00 0.00 N ATOM 263 C4 DA B 13 -2.177 0.609 10.063 1.00 0.00 C ATOM 0 H5' DA B 13 -5.726 -0.840 14.308 1.00 0.00 H new ATOM 0 H5'' DA B 13 -7.380 -0.314 14.067 1.00 0.00 H new ATOM 0 H4' DA B 13 -5.991 1.517 13.471 1.00 0.00 H new ATOM 0 H3' DA B 13 -7.787 0.443 11.492 1.00 0.00 H new ATOM 0 H2' DA B 13 -6.067 -0.425 10.086 1.00 0.00 H new ATOM 0 H2'' DA B 13 -6.110 1.237 9.533 1.00 0.00 H new ATOM 0 H1' DA B 13 -4.298 1.886 10.807 1.00 0.00 H new ATOM 0 H8 DA B 13 -4.120 -1.895 10.522 1.00 0.00 H new ATOM 0 H61 DA B 13 1.769 -0.949 8.935 1.00 0.00 H new ATOM 0 H62 DA B 13 0.502 -2.157 9.176 1.00 0.00 H new ATOM 0 H2 DA B 13 -0.084 3.018 9.782 1.00 0.00 H new ATOM 264 P DT B 14 -8.065 3.105 10.582 1.00 0.00 P ATOM 265 OP1 DT B 14 -8.892 4.108 11.290 1.00 0.00 O ATOM 266 OP2 DT B 14 -8.710 2.107 9.702 1.00 0.00 O ATOM 267 O5' DT B 14 -6.941 3.877 9.737 1.00 0.00 O ATOM 268 C5' DT B 14 -6.224 4.957 10.309 1.00 0.00 C ATOM 269 C4' DT B 14 -5.213 5.517 9.306 1.00 0.00 C ATOM 270 O4' DT B 14 -4.171 4.571 9.111 1.00 0.00 O ATOM 271 C3' DT B 14 -5.891 5.805 7.958 1.00 0.00 C ATOM 272 O3' DT B 14 -5.641 7.172 7.657 1.00 0.00 O ATOM 273 C2' DT B 14 -5.170 4.837 7.023 1.00 0.00 C ATOM 274 C1' DT B 14 -3.850 4.519 7.737 1.00 0.00 C ATOM 275 N1 DT B 14 -3.165 3.254 7.367 1.00 0.00 N ATOM 276 C2 DT B 14 -1.789 3.237 7.116 1.00 0.00 C ATOM 277 O2 DT B 14 -1.066 4.223 7.198 1.00 0.00 O ATOM 278 N3 DT B 14 -1.239 2.019 6.755 1.00 0.00 N ATOM 279 C4 DT B 14 -1.928 0.830 6.656 1.00 0.00 C ATOM 280 O4 DT B 14 -1.335 -0.196 6.341 1.00 0.00 O ATOM 281 C5 DT B 14 -3.331 0.914 7.007 1.00 0.00 C ATOM 282 C7 DT B 14 -4.185 -0.333 6.952 1.00 0.00 C ATOM 283 C6 DT B 14 -3.883 2.099 7.359 1.00 0.00 C ATOM 0 H5' DT B 14 -5.707 4.623 11.208 1.00 0.00 H new ATOM 0 H5'' DT B 14 -6.917 5.742 10.613 1.00 0.00 H new ATOM 0 H4' DT B 14 -4.807 6.448 9.702 1.00 0.00 H new ATOM 0 H3' DT B 14 -6.971 5.666 7.905 1.00 0.00 H new ATOM 0 H2' DT B 14 -5.758 3.934 6.857 1.00 0.00 H new ATOM 0 H2'' DT B 14 -4.994 5.287 6.046 1.00 0.00 H new ATOM 0 H1' DT B 14 -3.100 5.246 7.427 1.00 0.00 H new ATOM 0 H3 DT B 14 -0.241 2.000 6.545 1.00 0.00 H new ATOM 0 H71 DT B 14 -4.980 -0.263 7.694 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.623 -0.430 5.959 1.00 0.00 H new ATOM 0 H73 DT B 14 -3.568 -1.206 7.163 1.00 0.00 H new ATOM 0 H6 DT B 14 -4.925 2.128 7.642 1.00 0.00 H new ATOM 284 P DA B 15 -5.949 7.848 6.225 1.00 0.00 P ATOM 285 OP1 DA B 15 -6.136 9.302 6.427 1.00 0.00 O ATOM 286 OP2 DA B 15 -6.986 7.058 5.526 1.00 0.00 O ATOM 287 O5' DA B 15 -4.540 7.623 5.479 1.00 0.00 O ATOM 288 C5' DA B 15 -3.379 8.250 5.984 1.00 0.00 C ATOM 289 C4' DA B 15 -2.111 7.797 5.259 1.00 0.00 C ATOM 290 O4' DA B 15 -1.844 6.416 5.410 1.00 0.00 O ATOM 291 C3' DA B 15 -2.067 8.167 3.772 1.00 0.00 C ATOM 292 O3' DA B 15 -0.869 8.900 3.562 1.00 0.00 O ATOM 293 C2' DA B 15 -2.042 6.785 3.130 1.00 0.00 C ATOM 294 C1' DA B 15 -1.352 5.928 4.183 1.00 0.00 C ATOM 295 N9 DA B 15 -1.603 4.496 4.001 1.00 0.00 N ATOM 296 C8 DA B 15 -2.819 3.907 3.986 1.00 0.00 C ATOM 297 N7 DA B 15 -2.812 2.620 3.762 1.00 0.00 N ATOM 298 C5 DA B 15 -1.450 2.344 3.645 1.00 0.00 C ATOM 299 C6 DA B 15 -0.720 1.158 3.442 1.00 0.00 C ATOM 300 N6 DA B 15 -1.308 -0.025 3.288 1.00 0.00 N ATOM 301 N1 DA B 15 0.622 1.211 3.438 1.00 0.00 N ATOM 302 C2 DA B 15 1.211 2.390 3.611 1.00 0.00 C ATOM 303 N3 DA B 15 0.648 3.573 3.795 1.00 0.00 N ATOM 304 C4 DA B 15 -0.702 3.480 3.812 1.00 0.00 C ATOM 0 H5' DA B 15 -3.284 8.031 7.048 1.00 0.00 H new ATOM 0 H5'' DA B 15 -3.482 9.331 5.889 1.00 0.00 H new ATOM 0 H4' DA B 15 -1.324 8.361 5.760 1.00 0.00 H new ATOM 0 H3' DA B 15 -2.877 8.783 3.381 1.00 0.00 H new ATOM 0 H2' DA B 15 -3.047 6.424 2.911 1.00 0.00 H new ATOM 0 H2'' DA B 15 -1.492 6.788 2.189 1.00 0.00 H new ATOM 0 H1' DA B 15 -0.266 6.004 4.122 1.00 0.00 H new ATOM 0 H8 DA B 15 -3.732 4.461 4.148 1.00 0.00 H new ATOM 0 H61 DA B 15 -0.742 -0.861 3.143 1.00 0.00 H new ATOM 0 H62 DA B 15 -2.325 -0.096 3.315 1.00 0.00 H new ATOM 0 H2 DA B 15 2.291 2.381 3.600 1.00 0.00 H new ATOM 305 P DC B 16 -0.356 9.355 2.106 1.00 0.00 P ATOM 306 OP1 DC B 16 0.271 10.689 2.226 1.00 0.00 O ATOM 307 OP2 DC B 16 -1.443 9.136 1.127 1.00 0.00 O ATOM 308 O5' DC B 16 0.804 8.282 1.806 1.00 0.00 O ATOM 309 C5' DC B 16 1.952 8.215 2.633 1.00 0.00 C ATOM 310 C4' DC B 16 2.902 7.115 2.148 1.00 0.00 C ATOM 311 O4' DC B 16 2.217 5.876 2.166 1.00 0.00 O ATOM 312 C3' DC B 16 3.395 7.345 0.714 1.00 0.00 C ATOM 313 O3' DC B 16 4.788 7.121 0.637 1.00 0.00 O ATOM 314 C2' DC B 16 2.661 6.275 -0.082 1.00 0.00 C ATOM 315 C1' DC B 16 2.511 5.178 0.973 1.00 0.00 C ATOM 316 N1 DC B 16 1.399 4.244 0.661 1.00 0.00 N ATOM 317 C2 DC B 16 1.657 2.894 0.434 1.00 0.00 C ATOM 318 O2 DC B 16 2.804 2.456 0.381 1.00 0.00 O ATOM 319 N3 DC B 16 0.607 2.035 0.272 1.00 0.00 N ATOM 320 C4 DC B 16 -0.648 2.497 0.318 1.00 0.00 C ATOM 321 N4 DC B 16 -1.642 1.622 0.235 1.00 0.00 N ATOM 322 C5 DC B 16 -0.942 3.879 0.532 1.00 0.00 C ATOM 323 C6 DC B 16 0.115 4.706 0.701 1.00 0.00 C ATOM 0 H5' DC B 16 1.654 8.018 3.663 1.00 0.00 H new ATOM 0 H5'' DC B 16 2.467 9.176 2.628 1.00 0.00 H new ATOM 0 H4' DC B 16 3.764 7.123 2.815 1.00 0.00 H new ATOM 0 H3' DC B 16 3.212 8.358 0.356 1.00 0.00 H new ATOM 0 H2' DC B 16 1.698 6.625 -0.453 1.00 0.00 H new ATOM 0 H2'' DC B 16 3.233 5.940 -0.947 1.00 0.00 H new ATOM 0 HO3' DC B 16 5.093 7.269 -0.283 1.00 0.00 H new ATOM 0 H1' DC B 16 3.412 4.567 1.031 1.00 0.00 H new ATOM 0 H41 DC B 16 -2.609 1.944 0.267 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.439 0.627 0.139 1.00 0.00 H new ATOM 0 H5 DC B 16 -1.958 4.245 0.558 1.00 0.00 H new ATOM 0 H6 DC B 16 -0.061 5.758 0.872 1.00 0.00 H new TER 324 DC B 16