USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 196 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Set 1.2: A 15 DT C7 :methyl -30:sc= -0.628 (180deg=-2.81!) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.74 (180deg=-1.74) USER MOD Single : A 5 DT C7 :methyl -30:sc= -5.44! (180deg=-6.49!) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.0982) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl -30:sc= -2.42! (180deg=-3.46!) USER MOD Single : A 11 DT C7 :methyl -30:sc= -12.3! (180deg=-13.2!) USER MOD Single : A 17 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.263 -2.694 -9.647 1.00 0.41 O ATOM 2 C5' DG A 1 -0.532 -2.868 -8.470 1.00 0.31 C ATOM 3 C4' DG A 1 -2.018 -2.851 -8.795 1.00 0.25 C ATOM 4 O4' DG A 1 -2.747 -3.241 -7.626 1.00 0.22 O ATOM 5 C3' DG A 1 -2.537 -1.479 -9.204 1.00 0.22 C ATOM 6 O3' DG A 1 -3.707 -1.626 -10.028 1.00 0.24 O ATOM 7 C2' DG A 1 -2.909 -0.878 -7.863 1.00 0.19 C ATOM 8 C1' DG A 1 -3.447 -2.098 -7.126 1.00 0.18 C ATOM 9 N9 DG A 1 -3.270 -2.051 -5.671 1.00 0.18 N ATOM 10 C8 DG A 1 -4.236 -2.051 -4.727 1.00 0.20 C ATOM 11 N7 DG A 1 -3.824 -1.977 -3.504 1.00 0.20 N ATOM 12 C5 DG A 1 -2.445 -1.924 -3.643 1.00 0.18 C ATOM 13 C6 DG A 1 -1.449 -1.837 -2.651 1.00 0.19 C ATOM 14 O6 DG A 1 -1.599 -1.800 -1.438 1.00 0.21 O ATOM 15 N1 DG A 1 -0.178 -1.806 -3.207 1.00 0.19 N ATOM 16 C2 DG A 1 0.094 -1.855 -4.556 1.00 0.18 C ATOM 17 N2 DG A 1 1.374 -1.794 -4.899 1.00 0.19 N ATOM 18 N3 DG A 1 -0.846 -1.941 -5.499 1.00 0.17 N ATOM 19 C4 DG A 1 -2.090 -1.970 -4.972 1.00 0.17 C ATOM 0 H5' DG A 1 -0.305 -2.076 -7.756 1.00 0.31 H new ATOM 0 H5'' DG A 1 -0.274 -3.813 -7.991 1.00 0.31 H new ATOM 0 H4' DG A 1 -2.158 -3.532 -9.635 1.00 0.25 H new ATOM 0 H3' DG A 1 -1.829 -0.880 -9.777 1.00 0.22 H new ATOM 0 H2' DG A 1 -2.049 -0.439 -7.357 1.00 0.19 H new ATOM 0 H2'' DG A 1 -3.658 -0.092 -7.959 1.00 0.19 H new ATOM 0 HO5' DG A 1 1.213 -2.708 -9.405 1.00 0.41 H new ATOM 0 H1' DG A 1 -4.522 -2.136 -7.303 1.00 0.18 H new ATOM 0 H8 DG A 1 -5.285 -2.109 -4.978 1.00 0.20 H new ATOM 0 H1 DG A 1 0.615 -1.742 -2.568 1.00 0.19 H new ATOM 0 H21 DG A 1 1.640 -1.826 -5.883 1.00 0.19 H new ATOM 0 H22 DG A 1 2.092 -1.715 -4.179 1.00 0.19 H new ATOM 31 P DG A 2 -4.357 -0.355 -10.780 1.00 0.26 P ATOM 32 OP1 DG A 2 -5.412 -0.843 -11.698 1.00 0.33 O ATOM 33 OP2 DG A 2 -3.251 0.482 -11.301 1.00 0.32 O ATOM 34 O5' DG A 2 -5.056 0.438 -9.570 1.00 0.22 O ATOM 35 C5' DG A 2 -6.091 -0.170 -8.786 1.00 0.20 C ATOM 36 C4' DG A 2 -6.353 0.625 -7.512 1.00 0.18 C ATOM 37 O4' DG A 2 -5.363 0.316 -6.516 1.00 0.19 O ATOM 38 C3' DG A 2 -6.316 2.145 -7.726 1.00 0.17 C ATOM 39 O3' DG A 2 -7.582 2.714 -7.366 1.00 0.25 O ATOM 40 C2' DG A 2 -5.229 2.632 -6.766 1.00 0.16 C ATOM 41 C1' DG A 2 -5.156 1.504 -5.763 1.00 0.16 C ATOM 42 N9 DG A 2 -3.874 1.413 -5.031 1.00 0.14 N ATOM 43 C8 DG A 2 -2.595 1.556 -5.497 1.00 0.14 C ATOM 44 N7 DG A 2 -1.668 1.559 -4.585 1.00 0.14 N ATOM 45 C5 DG A 2 -2.389 1.396 -3.405 1.00 0.13 C ATOM 46 C6 DG A 2 -1.934 1.326 -2.066 1.00 0.14 C ATOM 47 O6 DG A 2 -0.792 1.438 -1.650 1.00 0.17 O ATOM 48 N1 DG A 2 -2.976 1.152 -1.179 1.00 0.15 N ATOM 49 C2 DG A 2 -4.299 1.058 -1.523 1.00 0.15 C ATOM 50 N2 DG A 2 -5.162 0.883 -0.526 1.00 0.19 N ATOM 51 N3 DG A 2 -4.743 1.129 -2.779 1.00 0.15 N ATOM 52 C4 DG A 2 -3.736 1.299 -3.667 1.00 0.14 C ATOM 0 H5' DG A 2 -5.805 -1.190 -8.530 1.00 0.20 H new ATOM 0 H5'' DG A 2 -7.007 -0.234 -9.374 1.00 0.20 H new ATOM 0 H4' DG A 2 -7.355 0.338 -7.192 1.00 0.18 H new ATOM 0 H3' DG A 2 -6.116 2.424 -8.761 1.00 0.17 H new ATOM 0 H2' DG A 2 -4.277 2.787 -7.274 1.00 0.16 H new ATOM 0 H2'' DG A 2 -5.496 3.578 -6.295 1.00 0.16 H new ATOM 0 H1' DG A 2 -5.903 1.671 -4.987 1.00 0.16 H new ATOM 0 H8 DG A 2 -2.371 1.659 -6.549 1.00 0.14 H new ATOM 0 H1 DG A 2 -2.743 1.088 -0.188 1.00 0.15 H new ATOM 0 H21 DG A 2 -6.160 0.806 -0.723 1.00 0.19 H new ATOM 0 H22 DG A 2 -4.826 0.826 0.435 1.00 0.19 H new ATOM 64 P DT A 3 -7.905 4.267 -7.664 1.00 0.26 P ATOM 65 OP1 DT A 3 -9.372 4.421 -7.771 1.00 0.35 O ATOM 66 OP2 DT A 3 -7.034 4.715 -8.775 1.00 0.28 O ATOM 67 O5' DT A 3 -7.413 4.996 -6.306 1.00 0.28 O ATOM 68 C5' DT A 3 -6.269 5.866 -6.305 1.00 0.24 C ATOM 69 C4' DT A 3 -5.777 6.180 -4.886 1.00 0.23 C ATOM 70 O4' DT A 3 -4.480 6.783 -4.950 1.00 0.29 O ATOM 71 C3' DT A 3 -6.654 7.160 -4.122 1.00 0.28 C ATOM 72 O3' DT A 3 -6.447 6.995 -2.711 1.00 0.29 O ATOM 73 C2' DT A 3 -6.088 8.508 -4.560 1.00 0.34 C ATOM 74 C1' DT A 3 -4.598 8.193 -4.688 1.00 0.33 C ATOM 75 N1 DT A 3 -3.920 8.905 -5.789 1.00 0.38 N ATOM 76 C2 DT A 3 -3.125 9.992 -5.463 1.00 0.55 C ATOM 77 O2 DT A 3 -2.972 10.373 -4.306 1.00 0.65 O ATOM 78 N3 DT A 3 -2.507 10.627 -6.520 1.00 0.61 N ATOM 79 C4 DT A 3 -2.611 10.280 -7.853 1.00 0.55 C ATOM 80 O4 DT A 3 -2.015 10.924 -8.713 1.00 0.66 O ATOM 81 C5 DT A 3 -3.460 9.135 -8.100 1.00 0.41 C ATOM 82 C7 DT A 3 -3.663 8.642 -9.532 1.00 0.45 C ATOM 83 C6 DT A 3 -4.076 8.495 -7.086 1.00 0.33 C ATOM 0 H5' DT A 3 -6.522 6.796 -6.813 1.00 0.24 H new ATOM 0 H5'' DT A 3 -5.462 5.402 -6.873 1.00 0.24 H new ATOM 0 H4' DT A 3 -5.787 5.222 -4.366 1.00 0.23 H new ATOM 0 H3' DT A 3 -7.721 7.039 -4.311 1.00 0.28 H new ATOM 0 H2' DT A 3 -6.517 8.845 -5.503 1.00 0.34 H new ATOM 0 H2'' DT A 3 -6.279 9.290 -3.825 1.00 0.34 H new ATOM 0 H1' DT A 3 -4.122 8.513 -3.761 1.00 0.33 H new ATOM 0 H3 DT A 3 -1.917 11.429 -6.296 1.00 0.61 H new ATOM 0 H71 DT A 3 -3.839 7.566 -9.525 1.00 0.45 H new ATOM 0 H72 DT A 3 -4.522 9.148 -9.972 1.00 0.45 H new ATOM 0 H73 DT A 3 -2.772 8.860 -10.122 1.00 0.45 H new ATOM 0 H6 DT A 3 -4.704 7.643 -7.301 1.00 0.33 H new ATOM 96 P DT A 4 -7.227 5.854 -1.882 1.00 0.31 P ATOM 97 OP1 DT A 4 -8.490 5.549 -2.588 1.00 0.43 O ATOM 98 OP2 DT A 4 -7.260 6.263 -0.458 1.00 0.42 O ATOM 99 O5' DT A 4 -6.263 4.574 -2.022 1.00 0.24 O ATOM 100 C5' DT A 4 -5.985 3.750 -0.884 1.00 0.21 C ATOM 101 C4' DT A 4 -4.604 4.026 -0.330 1.00 0.17 C ATOM 102 O4' DT A 4 -3.626 3.711 -1.321 1.00 0.18 O ATOM 103 C3' DT A 4 -4.404 5.491 0.057 1.00 0.16 C ATOM 104 O3' DT A 4 -3.978 5.572 1.415 1.00 0.19 O ATOM 105 C2' DT A 4 -3.274 5.958 -0.863 1.00 0.14 C ATOM 106 C1' DT A 4 -2.580 4.646 -1.173 1.00 0.15 C ATOM 107 N1 DT A 4 -1.800 4.671 -2.414 1.00 0.16 N ATOM 108 C2 DT A 4 -0.408 4.700 -2.333 1.00 0.16 C ATOM 109 O2 DT A 4 0.237 4.633 -1.263 1.00 0.17 O ATOM 110 N3 DT A 4 0.237 4.800 -3.540 1.00 0.18 N ATOM 111 C4 DT A 4 -0.337 4.867 -4.789 1.00 0.18 C ATOM 112 O4 DT A 4 0.368 4.968 -5.792 1.00 0.21 O ATOM 113 C5 DT A 4 -1.774 4.823 -4.776 1.00 0.17 C ATOM 114 C7 DT A 4 -2.542 4.893 -6.091 1.00 0.19 C ATOM 115 C6 DT A 4 -2.448 4.728 -3.619 1.00 0.17 C ATOM 0 H5' DT A 4 -6.063 2.700 -1.165 1.00 0.21 H new ATOM 0 H5'' DT A 4 -6.732 3.930 -0.111 1.00 0.21 H new ATOM 0 H4' DT A 4 -4.497 3.411 0.564 1.00 0.17 H new ATOM 0 H3' DT A 4 -5.311 6.088 -0.041 1.00 0.16 H new ATOM 0 H2' DT A 4 -3.651 6.446 -1.762 1.00 0.14 H new ATOM 0 H2'' DT A 4 -2.610 6.668 -0.370 1.00 0.14 H new ATOM 0 H1' DT A 4 -1.871 4.413 -0.379 1.00 0.15 H new ATOM 0 H3 DT A 4 1.256 4.828 -3.508 1.00 0.18 H new ATOM 0 H71 DT A 4 -3.478 4.343 -5.995 1.00 0.19 H new ATOM 0 H72 DT A 4 -2.756 5.934 -6.332 1.00 0.19 H new ATOM 0 H73 DT A 4 -1.942 4.452 -6.887 1.00 0.19 H new ATOM 0 H6 DT A 4 -3.527 4.696 -3.639 1.00 0.17 H new ATOM 128 P DT A 5 -4.244 6.920 2.251 1.00 0.21 P ATOM 129 OP1 DT A 5 -5.699 7.186 2.255 1.00 0.32 O ATOM 130 OP2 DT A 5 -3.304 7.953 1.769 1.00 0.33 O ATOM 131 O5' DT A 5 -3.807 6.510 3.744 1.00 0.24 O ATOM 132 C5' DT A 5 -4.180 5.242 4.292 1.00 0.23 C ATOM 133 C4' DT A 5 -2.951 4.416 4.655 1.00 0.19 C ATOM 134 O4' DT A 5 -2.000 4.480 3.580 1.00 0.18 O ATOM 135 C3' DT A 5 -2.232 4.882 5.927 1.00 0.18 C ATOM 136 O3' DT A 5 -1.930 3.729 6.728 1.00 0.19 O ATOM 137 C2' DT A 5 -0.923 5.506 5.393 1.00 0.18 C ATOM 138 C1' DT A 5 -0.705 4.710 4.139 1.00 0.15 C ATOM 139 N1 DT A 5 0.133 5.399 3.144 1.00 0.15 N ATOM 140 C2 DT A 5 1.501 5.317 3.305 1.00 0.17 C ATOM 141 O2 DT A 5 2.017 4.715 4.241 1.00 0.20 O ATOM 142 N3 DT A 5 2.261 5.954 2.350 1.00 0.18 N ATOM 143 C4 DT A 5 1.785 6.656 1.267 1.00 0.18 C ATOM 144 O4 DT A 5 2.560 7.190 0.479 1.00 0.22 O ATOM 145 C5 DT A 5 0.346 6.686 1.177 1.00 0.17 C ATOM 146 C7 DT A 5 -0.300 7.359 -0.019 1.00 0.20 C ATOM 147 C6 DT A 5 -0.423 6.076 2.102 1.00 0.15 C ATOM 0 H5' DT A 5 -4.789 4.696 3.571 1.00 0.23 H new ATOM 0 H5'' DT A 5 -4.795 5.393 5.179 1.00 0.23 H new ATOM 0 H4' DT A 5 -3.319 3.406 4.833 1.00 0.19 H new ATOM 0 H3' DT A 5 -2.812 5.575 6.536 1.00 0.18 H new ATOM 0 H2' DT A 5 -1.029 6.572 5.190 1.00 0.18 H new ATOM 0 H2'' DT A 5 -0.099 5.396 6.098 1.00 0.18 H new ATOM 0 H1' DT A 5 -0.176 3.791 4.393 1.00 0.15 H new ATOM 0 H3 DT A 5 3.274 5.900 2.456 1.00 0.18 H new ATOM 0 H71 DT A 5 0.343 8.163 -0.375 1.00 0.20 H new ATOM 0 H72 DT A 5 -0.442 6.628 -0.815 1.00 0.20 H new ATOM 0 H73 DT A 5 -1.267 7.770 0.273 1.00 0.20 H new ATOM 0 H6 DT A 5 -1.498 6.125 2.015 1.00 0.15 H new ATOM 160 P DG A 6 -2.902 3.272 7.933 1.00 0.21 P ATOM 161 OP1 DG A 6 -2.846 4.308 8.991 1.00 0.30 O ATOM 162 OP2 DG A 6 -2.580 1.866 8.267 1.00 0.35 O ATOM 163 O5' DG A 6 -4.366 3.310 7.260 1.00 0.24 O ATOM 164 C5' DG A 6 -5.549 3.479 8.060 1.00 0.26 C ATOM 165 C4' DG A 6 -6.582 2.390 7.771 1.00 0.20 C ATOM 166 O4' DG A 6 -6.735 2.255 6.349 1.00 0.21 O ATOM 167 C3' DG A 6 -6.207 1.015 8.321 1.00 0.20 C ATOM 168 O3' DG A 6 -7.397 0.303 8.689 1.00 0.25 O ATOM 169 C2' DG A 6 -5.553 0.344 7.116 1.00 0.18 C ATOM 170 C1' DG A 6 -6.362 0.928 5.965 1.00 0.16 C ATOM 171 N9 DG A 6 -5.635 1.007 4.686 1.00 0.15 N ATOM 172 C8 DG A 6 -6.139 0.995 3.421 1.00 0.17 C ATOM 173 N7 DG A 6 -5.251 1.048 2.472 1.00 0.17 N ATOM 174 C5 DG A 6 -4.048 1.100 3.175 1.00 0.14 C ATOM 175 C6 DG A 6 -2.716 1.167 2.700 1.00 0.15 C ATOM 176 O6 DG A 6 -2.328 1.199 1.548 1.00 0.21 O ATOM 177 N1 DG A 6 -1.803 1.199 3.735 1.00 0.14 N ATOM 178 C2 DG A 6 -2.121 1.173 5.067 1.00 0.13 C ATOM 179 N2 DG A 6 -1.109 1.207 5.928 1.00 0.16 N ATOM 180 N3 DG A 6 -3.363 1.111 5.517 1.00 0.12 N ATOM 181 C4 DG A 6 -4.275 1.076 4.525 1.00 0.12 C ATOM 0 H5' DG A 6 -5.986 4.458 7.863 1.00 0.26 H new ATOM 0 H5'' DG A 6 -5.281 3.457 9.116 1.00 0.26 H new ATOM 0 H4' DG A 6 -7.499 2.707 8.267 1.00 0.20 H new ATOM 0 H3' DG A 6 -5.568 1.050 9.203 1.00 0.20 H new ATOM 0 H2' DG A 6 -4.493 0.587 7.037 1.00 0.18 H new ATOM 0 H2'' DG A 6 -5.629 -0.742 7.161 1.00 0.18 H new ATOM 0 H1' DG A 6 -7.210 0.265 5.792 1.00 0.16 H new ATOM 0 H8 DG A 6 -7.199 0.945 3.220 1.00 0.17 H new ATOM 0 H1 DG A 6 -0.814 1.246 3.489 1.00 0.14 H new ATOM 0 H21 DG A 6 -1.292 1.190 6.931 1.00 0.16 H new ATOM 0 H22 DG A 6 -0.149 1.250 5.585 1.00 0.16 H new ATOM 193 P DG A 7 -7.433 -1.312 8.691 1.00 0.29 P ATOM 194 OP1 DG A 7 -8.569 -1.743 9.529 1.00 0.37 O ATOM 195 OP2 DG A 7 -6.070 -1.816 8.986 1.00 0.31 O ATOM 196 O5' DG A 7 -7.784 -1.654 7.158 1.00 0.27 O ATOM 197 C5' DG A 7 -9.094 -1.386 6.652 1.00 0.30 C ATOM 198 C4' DG A 7 -9.171 -1.531 5.137 1.00 0.27 C ATOM 199 O4' DG A 7 -7.937 -1.095 4.526 1.00 0.23 O ATOM 200 C3' DG A 7 -9.392 -2.968 4.678 1.00 0.28 C ATOM 201 O3' DG A 7 -10.133 -2.944 3.449 1.00 0.32 O ATOM 202 C2' DG A 7 -7.966 -3.425 4.431 1.00 0.23 C ATOM 203 C1' DG A 7 -7.430 -2.192 3.755 1.00 0.20 C ATOM 204 N9 DG A 7 -5.967 -2.128 3.719 1.00 0.19 N ATOM 205 C8 DG A 7 -5.084 -2.162 4.748 1.00 0.19 C ATOM 206 N7 DG A 7 -3.839 -2.123 4.410 1.00 0.19 N ATOM 207 C5 DG A 7 -3.894 -2.064 3.027 1.00 0.18 C ATOM 208 C6 DG A 7 -2.843 -2.011 2.095 1.00 0.19 C ATOM 209 O6 DG A 7 -1.643 -2.005 2.330 1.00 0.22 O ATOM 210 N1 DG A 7 -3.316 -1.966 0.793 1.00 0.19 N ATOM 211 C2 DG A 7 -4.651 -1.969 0.442 1.00 0.19 C ATOM 212 N2 DG A 7 -4.930 -1.942 -0.856 1.00 0.22 N ATOM 213 N3 DG A 7 -5.646 -2.017 1.325 1.00 0.19 N ATOM 214 C4 DG A 7 -5.194 -2.065 2.594 1.00 0.18 C ATOM 0 H5' DG A 7 -9.390 -0.375 6.933 1.00 0.30 H new ATOM 0 H5'' DG A 7 -9.807 -2.068 7.116 1.00 0.30 H new ATOM 0 H4' DG A 7 -10.022 -0.920 4.835 1.00 0.27 H new ATOM 0 H3' DG A 7 -9.941 -3.604 5.372 1.00 0.28 H new ATOM 0 H2' DG A 7 -7.436 -3.663 5.353 1.00 0.23 H new ATOM 0 H2'' DG A 7 -7.912 -4.309 3.796 1.00 0.23 H new ATOM 0 H1' DG A 7 -7.743 -2.181 2.711 1.00 0.20 H new ATOM 0 H8 DG A 7 -5.401 -2.218 5.779 1.00 0.19 H new ATOM 0 H1 DG A 7 -2.629 -1.928 0.040 1.00 0.19 H new ATOM 0 H21 DG A 7 -5.901 -1.943 -1.169 1.00 0.22 H new ATOM 0 H22 DG A 7 -4.174 -1.920 -1.540 1.00 0.22 H new ATOM 226 P DT A 8 -10.588 -4.299 2.710 1.00 0.38 P ATOM 227 OP1 DT A 8 -11.581 -3.949 1.671 1.00 0.51 O ATOM 228 OP2 DT A 8 -10.922 -5.303 3.745 1.00 0.43 O ATOM 229 O5' DT A 8 -9.237 -4.761 1.974 1.00 0.32 O ATOM 230 C5' DT A 8 -8.695 -6.064 2.197 1.00 0.32 C ATOM 231 C4' DT A 8 -7.277 -6.171 1.650 1.00 0.27 C ATOM 232 O4' DT A 8 -6.447 -5.202 2.270 1.00 0.26 O ATOM 233 C3' DT A 8 -6.599 -7.496 1.933 1.00 0.31 C ATOM 234 O3' DT A 8 -6.983 -8.500 0.969 1.00 0.35 O ATOM 235 C2' DT A 8 -5.124 -7.151 1.811 1.00 0.30 C ATOM 236 C1' DT A 8 -5.096 -5.668 2.190 1.00 0.26 C ATOM 237 N1 DT A 8 -4.440 -5.406 3.481 1.00 0.27 N ATOM 238 C2 DT A 8 -3.076 -5.188 3.465 1.00 0.32 C ATOM 239 O2 DT A 8 -2.434 -5.143 2.420 1.00 0.39 O ATOM 240 N3 DT A 8 -2.482 -4.993 4.694 1.00 0.35 N ATOM 241 C4 DT A 8 -3.124 -4.990 5.919 1.00 0.34 C ATOM 242 O4 DT A 8 -2.490 -4.812 6.956 1.00 0.42 O ATOM 243 C5 DT A 8 -4.549 -5.220 5.839 1.00 0.31 C ATOM 244 C7 DT A 8 -5.383 -5.238 7.118 1.00 0.40 C ATOM 245 C6 DT A 8 -5.152 -5.417 4.651 1.00 0.28 C ATOM 0 H5' DT A 8 -9.329 -6.811 1.720 1.00 0.32 H new ATOM 0 H5'' DT A 8 -8.693 -6.282 3.265 1.00 0.32 H new ATOM 0 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1.00 0.21 C ATOM 0 H5' DT A 11 1.476 -4.687 -1.324 1.00 0.19 H new ATOM 0 H5'' DT A 11 3.004 -3.904 -1.676 1.00 0.19 H new ATOM 0 H4' DT A 11 2.814 -3.937 0.625 1.00 0.20 H new ATOM 0 H3' DT A 11 5.135 -4.942 -0.242 1.00 0.21 H new ATOM 0 H2' DT A 11 4.433 -7.294 -0.393 1.00 0.26 H new ATOM 0 H2'' DT A 11 5.184 -7.234 1.189 1.00 0.26 H new ATOM 0 H1' DT A 11 3.167 -7.110 2.319 1.00 0.26 H new ATOM 0 H3 DT A 11 2.139 -11.436 1.624 1.00 0.49 H new ATOM 0 H71 DT A 11 0.335 -10.358 -2.588 1.00 0.24 H new ATOM 0 H72 DT A 11 -0.787 -9.196 -1.842 1.00 0.24 H new ATOM 0 H73 DT A 11 0.645 -8.611 -2.724 1.00 0.24 H new ATOM 0 H6 DT A 11 1.466 -7.390 -0.878 1.00 0.21 H new ATOM 354 P DG A 12 6.356 -4.820 2.288 1.00 0.31 P ATOM 355 OP1 DG A 12 6.911 -6.169 2.026 1.00 0.39 O ATOM 356 OP2 DG A 12 6.416 -4.255 3.655 1.00 0.45 O ATOM 357 O5' DG A 12 7.077 -3.775 1.307 1.00 0.30 O ATOM 358 C5' DG A 12 8.007 -4.216 0.316 1.00 0.28 C ATOM 359 C4' DG A 12 8.084 -3.220 -0.827 1.00 0.22 C ATOM 360 O4' DG A 12 6.812 -3.163 -1.471 1.00 0.24 O ATOM 361 C3' DG A 12 8.448 -1.800 -0.376 1.00 0.21 C ATOM 362 O3' DG A 12 9.668 -1.362 -1.024 1.00 0.25 O ATOM 363 C2' DG A 12 7.256 -0.920 -0.823 1.00 0.23 C ATOM 364 C1' DG A 12 6.512 -1.813 -1.810 1.00 0.23 C ATOM 365 N9 DG A 12 5.035 -1.682 -1.790 1.00 0.21 N ATOM 366 C8 DG A 12 4.186 -1.563 -2.850 1.00 0.22 C ATOM 367 N7 DG A 12 2.925 -1.507 -2.546 1.00 0.22 N ATOM 368 C5 DG A 12 2.921 -1.599 -1.160 1.00 0.21 C ATOM 369 C6 DG A 12 1.824 -1.596 -0.258 1.00 0.21 C ATOM 370 O6 DG A 12 0.634 -1.511 -0.515 1.00 0.23 O ATOM 371 N1 DG A 12 2.239 -1.707 1.053 1.00 0.21 N ATOM 372 C2 DG A 12 3.545 -1.809 1.458 1.00 0.21 C ATOM 373 N2 DG A 12 3.746 -1.885 2.767 1.00 0.24 N ATOM 374 N3 DG A 12 4.589 -1.815 0.616 1.00 0.21 N ATOM 375 C4 DG A 12 4.206 -1.706 -0.678 1.00 0.20 C ATOM 0 H5' DG A 12 7.705 -5.192 -0.065 1.00 0.28 H new ATOM 0 H5'' DG A 12 8.993 -4.340 0.764 1.00 0.28 H new ATOM 0 H4' DG A 12 8.873 -3.567 -1.494 1.00 0.22 H new ATOM 0 H3' DG A 12 8.621 -1.743 0.699 1.00 0.21 H new ATOM 0 H2' DG A 12 6.625 -0.639 0.020 1.00 0.23 H new ATOM 0 H2'' DG A 12 7.592 0.005 -1.292 1.00 0.23 H new ATOM 0 H1' DG A 12 6.841 -1.510 -2.804 1.00 0.23 H new ATOM 0 H8 DG A 12 4.537 -1.518 -3.870 1.00 0.22 H new ATOM 0 H1 DG A 12 1.520 -1.714 1.776 1.00 0.21 H new ATOM 0 H21 DG A 12 4.695 -1.963 3.134 1.00 0.24 H new ATOM 0 H22 DG A 12 2.952 -1.866 3.407 1.00 0.24 H new ATOM 387 P DG A 13 9.977 -1.595 -2.595 1.00 0.25 P ATOM 388 OP1 DG A 13 9.645 -2.994 -2.943 1.00 0.30 O ATOM 389 OP2 DG A 13 11.331 -1.072 -2.885 1.00 0.37 O ATOM 390 O5' DG A 13 8.908 -0.640 -3.315 1.00 0.26 O ATOM 391 C5' DG A 13 8.747 -0.677 -4.735 1.00 0.26 C ATOM 392 C4' DG A 13 8.129 0.613 -5.247 1.00 0.22 C ATOM 393 O4' DG A 13 6.818 0.763 -4.683 1.00 0.24 O ATOM 394 C3' DG A 13 8.936 1.859 -4.882 1.00 0.18 C ATOM 395 O3' DG A 13 9.006 2.723 -6.022 1.00 0.24 O ATOM 396 C2' DG A 13 8.109 2.516 -3.769 1.00 0.18 C ATOM 397 C1' DG A 13 6.699 2.070 -4.120 1.00 0.18 C ATOM 398 N9 DG A 13 5.792 1.986 -2.955 1.00 0.17 N ATOM 399 C8 DG A 13 6.102 2.005 -1.625 1.00 0.18 C ATOM 400 N7 DG A 13 5.090 1.936 -0.820 1.00 0.18 N ATOM 401 C5 DG A 13 4.001 1.864 -1.682 1.00 0.16 C ATOM 402 C6 DG A 13 2.618 1.775 -1.383 1.00 0.17 C ATOM 403 O6 DG A 13 2.078 1.744 -0.279 1.00 0.20 O ATOM 404 N1 DG A 13 1.850 1.729 -2.537 1.00 0.16 N ATOM 405 C2 DG A 13 2.344 1.759 -3.822 1.00 0.15 C ATOM 406 N2 DG A 13 1.440 1.694 -4.804 1.00 0.17 N ATOM 407 N3 DG A 13 3.647 1.842 -4.113 1.00 0.16 N ATOM 408 C4 DG A 13 4.417 1.893 -2.995 1.00 0.16 C ATOM 0 H5' DG A 13 8.116 -1.521 -5.011 1.00 0.26 H new ATOM 0 H5'' DG A 13 9.715 -0.834 -5.210 1.00 0.26 H new ATOM 0 H4' DG A 13 8.105 0.534 -6.334 1.00 0.22 H new ATOM 0 H3' DG A 13 9.958 1.642 -4.571 1.00 0.18 H new ATOM 0 H2' DG A 13 8.411 2.173 -2.779 1.00 0.18 H new ATOM 0 H2'' DG A 13 8.207 3.602 -3.774 1.00 0.18 H new ATOM 0 H1' DG A 13 6.267 2.807 -4.798 1.00 0.18 H new ATOM 0 H8 DG A 13 7.120 2.073 -1.270 1.00 0.18 H new ATOM 0 H1 DG A 13 0.838 1.668 -2.425 1.00 0.16 H new ATOM 0 H21 DG A 13 1.743 1.712 -5.778 1.00 0.17 H new ATOM 0 H22 DG A 13 0.447 1.627 -4.580 1.00 0.17 H new ATOM 420 P DT A 14 9.626 4.206 -5.912 1.00 0.44 P ATOM 421 OP1 DT A 14 8.498 5.158 -5.827 1.00 0.88 O ATOM 422 OP2 DT A 14 10.646 4.359 -6.973 1.00 0.81 O ATOM 423 O5' DT A 14 10.378 4.190 -4.485 1.00 0.30 O ATOM 424 C5' DT A 14 11.571 4.955 -4.270 1.00 0.33 C ATOM 425 C4' DT A 14 11.287 6.320 -3.632 1.00 0.29 C ATOM 426 O4' DT A 14 10.487 7.123 -4.495 1.00 0.32 O ATOM 427 C3' DT A 14 10.544 6.259 -2.295 1.00 0.24 C ATOM 428 O3' DT A 14 11.473 6.506 -1.234 1.00 0.27 O ATOM 429 C2' DT A 14 9.524 7.408 -2.363 1.00 0.26 C ATOM 430 C1' DT A 14 9.852 8.100 -3.674 1.00 0.34 C ATOM 431 N1 DT A 14 8.673 8.627 -4.395 1.00 0.46 N ATOM 432 C2 DT A 14 8.393 9.977 -4.263 1.00 0.66 C ATOM 433 O2 DT A 14 9.093 10.731 -3.590 1.00 0.75 O ATOM 434 N3 DT A 14 7.277 10.436 -4.935 1.00 0.80 N ATOM 435 C4 DT A 14 6.429 9.676 -5.716 1.00 0.80 C ATOM 436 O4 DT A 14 5.461 10.193 -6.268 1.00 0.97 O ATOM 437 C5 DT A 14 6.798 8.278 -5.800 1.00 0.64 C ATOM 438 C7 DT A 14 5.946 7.323 -6.634 1.00 0.76 C ATOM 439 C6 DT A 14 7.884 7.806 -5.153 1.00 0.47 C ATOM 0 H5' DT A 14 12.081 5.102 -5.222 1.00 0.33 H new ATOM 0 H5'' DT A 14 12.249 4.392 -3.629 1.00 0.33 H new ATOM 0 H4' DT A 14 12.278 6.741 -3.461 1.00 0.29 H new ATOM 0 H3' DT A 14 10.070 5.294 -2.117 1.00 0.24 H new ATOM 0 H2' DT A 14 8.500 7.036 -2.352 1.00 0.26 H new ATOM 0 H2'' DT A 14 9.626 8.086 -1.515 1.00 0.26 H new ATOM 0 H1' DT A 14 10.478 8.965 -3.454 1.00 0.34 H new ATOM 0 H3 DT A 14 7.059 11.428 -4.846 1.00 0.80 H new ATOM 0 H71 DT A 14 6.575 6.525 -7.029 1.00 0.76 H new ATOM 0 H72 DT A 14 5.163 6.893 -6.009 1.00 0.76 H new ATOM 0 H73 DT A 14 5.491 7.869 -7.461 1.00 0.76 H new ATOM 0 H6 DT A 14 8.135 6.759 -5.235 1.00 0.47 H new ATOM 452 P DT A 15 11.313 5.777 0.193 1.00 0.22 P ATOM 453 OP1 DT A 15 12.651 5.703 0.822 1.00 0.32 O ATOM 454 OP2 DT A 15 10.522 4.542 -0.004 1.00 0.27 O ATOM 455 O5' DT A 15 10.425 6.833 1.032 1.00 0.27 O ATOM 456 C5' DT A 15 9.005 6.915 0.856 1.00 0.24 C ATOM 457 C4' DT A 15 8.255 6.173 1.960 1.00 0.18 C ATOM 458 O4' DT A 15 6.853 6.150 1.657 1.00 0.21 O ATOM 459 C3' DT A 15 8.689 4.723 2.128 1.00 0.17 C ATOM 460 O3' DT A 15 8.490 4.318 3.487 1.00 0.19 O ATOM 461 C2' DT A 15 7.727 3.986 1.215 1.00 0.18 C ATOM 462 C1' DT A 15 6.450 4.794 1.416 1.00 0.18 C ATOM 463 N1 DT A 15 5.521 4.802 0.261 1.00 0.18 N ATOM 464 C2 DT A 15 4.178 4.591 0.528 1.00 0.17 C ATOM 465 O2 DT A 15 3.787 4.300 1.650 1.00 0.20 O ATOM 466 N3 DT A 15 3.311 4.666 -0.555 1.00 0.16 N ATOM 467 C4 DT A 15 3.699 4.915 -1.861 1.00 0.16 C ATOM 468 O4 DT A 15 2.882 4.960 -2.754 1.00 0.18 O ATOM 469 C5 DT A 15 5.115 5.106 -2.045 1.00 0.18 C ATOM 470 C7 DT A 15 5.649 5.344 -3.455 1.00 0.21 C ATOM 471 C6 DT A 15 5.969 5.053 -1.009 1.00 0.19 C ATOM 0 H5' DT A 15 8.734 6.496 -0.113 1.00 0.24 H new ATOM 0 H5'' DT A 15 8.699 7.961 0.848 1.00 0.24 H new ATOM 0 H4' DT A 15 8.480 6.712 2.880 1.00 0.18 H new ATOM 0 H3' DT A 15 9.738 4.541 1.893 1.00 0.17 H new ATOM 0 H2' DT A 15 8.059 3.992 0.177 1.00 0.18 H new ATOM 0 H2'' DT A 15 7.603 2.942 1.504 1.00 0.18 H new ATOM 0 H1' DT A 15 5.906 4.329 2.238 1.00 0.18 H new ATOM 0 H3 DT A 15 2.317 4.528 -0.375 1.00 0.16 H new ATOM 0 H71 DT A 15 5.009 4.836 -4.177 1.00 0.21 H new ATOM 0 H72 DT A 15 5.656 6.413 -3.666 1.00 0.21 H new ATOM 0 H73 DT A 15 6.663 4.953 -3.531 1.00 0.21 H new ATOM 0 H6 DT A 15 7.024 5.211 -1.180 1.00 0.19 H new ATOM 484 P DG A 16 9.143 2.956 4.038 1.00 0.24 P ATOM 485 OP1 DG A 16 10.456 3.285 4.637 1.00 0.33 O ATOM 486 OP2 DG A 16 9.056 1.929 2.977 1.00 0.32 O ATOM 487 O5' DG A 16 8.134 2.536 5.215 1.00 0.22 O ATOM 488 C5' DG A 16 8.156 3.198 6.483 1.00 0.26 C ATOM 489 C4' DG A 16 7.234 2.502 7.478 1.00 0.21 C ATOM 490 O4' DG A 16 5.864 2.778 7.148 1.00 0.22 O ATOM 491 C3' DG A 16 7.396 0.970 7.494 1.00 0.20 C ATOM 492 O3' DG A 16 7.676 0.489 8.831 1.00 0.23 O ATOM 493 C2' DG A 16 6.045 0.452 7.003 1.00 0.19 C ATOM 494 C1' DG A 16 5.119 1.587 7.380 1.00 0.19 C ATOM 495 N9 DG A 16 3.879 1.636 6.587 1.00 0.19 N ATOM 496 C8 DG A 16 2.587 1.572 7.019 1.00 0.21 C ATOM 497 N7 DG A 16 1.691 1.586 6.081 1.00 0.22 N ATOM 498 C5 DG A 16 2.451 1.668 4.917 1.00 0.19 C ATOM 499 C6 DG A 16 2.033 1.718 3.564 1.00 0.19 C ATOM 500 O6 DG A 16 0.895 1.693 3.120 1.00 0.21 O ATOM 501 N1 DG A 16 3.111 1.796 2.700 1.00 0.18 N ATOM 502 C2 DG A 16 4.434 1.821 3.086 1.00 0.18 C ATOM 503 N2 DG A 16 5.336 1.883 2.109 1.00 0.19 N ATOM 504 N3 DG A 16 4.833 1.777 4.359 1.00 0.18 N ATOM 505 C4 DG A 16 3.792 1.701 5.217 1.00 0.18 C ATOM 0 H5' DG A 16 7.848 4.236 6.361 1.00 0.26 H new ATOM 0 H5'' DG A 16 9.174 3.212 6.873 1.00 0.26 H new ATOM 0 H4' DG A 16 7.509 2.891 8.459 1.00 0.21 H new ATOM 0 H3' DG A 16 8.228 0.632 6.876 1.00 0.20 H new ATOM 0 H2' DG A 16 6.045 0.265 5.929 1.00 0.19 H new ATOM 0 H2'' DG A 16 5.765 -0.482 7.489 1.00 0.19 H new ATOM 0 H1' DG A 16 4.800 1.457 8.414 1.00 0.19 H new ATOM 0 H8 DG A 16 2.329 1.514 8.066 1.00 0.21 H new ATOM 0 H1 DG A 16 2.911 1.838 1.701 1.00 0.18 H new ATOM 0 H21 DG A 16 6.331 1.904 2.334 1.00 0.19 H new ATOM 0 H22 DG A 16 5.032 1.909 1.136 1.00 0.19 H new ATOM 517 P DG A 17 6.948 1.059 10.162 1.00 0.24 P ATOM 518 OP1 DG A 17 6.848 2.531 10.060 1.00 0.28 O ATOM 519 OP2 DG A 17 7.617 0.456 11.337 1.00 0.33 O ATOM 520 O5' DG A 17 5.459 0.442 10.062 1.00 0.24 O ATOM 521 C5' DG A 17 5.228 -0.955 10.283 1.00 0.26 C ATOM 522 C4' DG A 17 3.789 -1.232 10.723 1.00 0.27 C ATOM 523 O4' DG A 17 2.879 -0.845 9.679 1.00 0.29 O ATOM 524 C3' DG A 17 3.512 -2.703 11.023 1.00 0.36 C ATOM 525 O3' DG A 17 2.525 -2.849 12.051 1.00 0.46 O ATOM 526 C2' DG A 17 2.997 -3.206 9.689 1.00 0.32 C ATOM 527 C1' DG A 17 2.190 -2.011 9.207 1.00 0.26 C ATOM 528 N9 DG A 17 2.083 -1.919 7.740 1.00 0.23 N ATOM 529 C8 DG A 17 3.082 -1.836 6.819 1.00 0.24 C ATOM 530 N7 DG A 17 2.691 -1.783 5.581 1.00 0.24 N ATOM 531 C5 DG A 17 1.303 -1.836 5.684 1.00 0.22 C ATOM 532 C6 DG A 17 0.319 -1.820 4.661 1.00 0.22 C ATOM 533 O6 DG A 17 0.496 -1.741 3.449 1.00 0.23 O ATOM 534 N1 DG A 17 -0.970 -1.895 5.189 1.00 0.21 N ATOM 535 C2 DG A 17 -1.259 -1.973 6.540 1.00 0.21 C ATOM 536 N2 DG A 17 -2.541 -1.998 6.876 1.00 0.22 N ATOM 537 N3 DG A 17 -0.331 -1.992 7.498 1.00 0.21 N ATOM 538 C4 DG A 17 0.921 -1.920 7.002 1.00 0.21 C ATOM 0 H5' DG A 17 5.917 -1.321 11.044 1.00 0.26 H new ATOM 0 H5'' DG A 17 5.441 -1.508 9.368 1.00 0.26 H new ATOM 0 H4' DG A 17 3.648 -0.657 11.638 1.00 0.27 H new ATOM 0 H3' DG A 17 4.382 -3.247 11.391 1.00 0.36 H new ATOM 0 H2' DG A 17 3.807 -3.457 9.005 1.00 0.32 H new ATOM 0 H2'' DG A 17 2.382 -4.100 9.797 1.00 0.32 H new ATOM 0 HO3' DG A 17 2.367 -3.801 12.220 1.00 0.46 H new ATOM 0 H1' DG A 17 1.172 -2.108 9.586 1.00 0.26 H new ATOM 0 H8 DG A 17 4.125 -1.816 7.097 1.00 0.24 H new ATOM 0 H1 DG A 17 -1.753 -1.892 4.535 1.00 0.21 H new ATOM 0 H21 DG A 17 -2.810 -2.055 7.858 1.00 0.22 H new ATOM 0 H22 DG A 17 -3.259 -1.960 6.152 1.00 0.22 H new TER 550 DG A 17