USER MOD reduce.3.24.130724 H: found=0, std=0, add=210, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 208 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 3 DT C7 :methyl 150:sc= -0.785 (180deg=-0.785) USER MOD Single : A 4 DT C7 :methyl -30:sc= -7.53! (180deg=-8.49!) USER MOD Single : A 5 DT C7 :methyl -30:sc= -12.9! (180deg=-15.3!) USER MOD Single : A 8 DT C7 :methyl -30:sc= -4.28! (180deg=-11.6!) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= -9.17! (180deg=-9.17!) USER MOD Single : A 11 DT C7 :methyl -30:sc= -7.54! (180deg=-14.6!) USER MOD Single : A 14 DT C7 :methyl 150:sc= -17.4! (180deg=-17.4!) USER MOD Single : A 15 DT C7 :methyl 150:sc= -7.81! (180deg=-7.81!) USER MOD Single : A 16 DT C7 :methyl 150:sc= -5.49! (180deg=-5.49!) USER MOD Single : A 18 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -7.130 4.977 -5.091 1.00 0.63 O ATOM 2 C5' DG A 1 -5.749 4.685 -5.320 1.00 0.40 C ATOM 3 C4' DG A 1 -5.534 4.012 -6.678 1.00 0.22 C ATOM 4 O4' DG A 1 -4.152 3.716 -6.857 1.00 0.19 O ATOM 5 C3' DG A 1 -6.265 2.691 -6.840 1.00 0.17 C ATOM 6 O3' DG A 1 -6.487 2.441 -8.240 1.00 0.24 O ATOM 7 C2' DG A 1 -5.285 1.696 -6.268 1.00 0.13 C ATOM 8 C1' DG A 1 -3.958 2.298 -6.713 1.00 0.13 C ATOM 9 N9 DG A 1 -2.870 2.115 -5.757 1.00 0.13 N ATOM 10 C8 DG A 1 -1.566 1.887 -6.009 1.00 0.14 C ATOM 11 N7 DG A 1 -0.800 1.829 -4.963 1.00 0.14 N ATOM 12 C5 DG A 1 -1.693 2.043 -3.913 1.00 0.13 C ATOM 13 C6 DG A 1 -1.463 2.105 -2.517 1.00 0.13 C ATOM 14 O6 DG A 1 -0.399 1.986 -1.921 1.00 0.15 O ATOM 15 N1 DG A 1 -2.640 2.340 -1.817 1.00 0.13 N ATOM 16 C2 DG A 1 -3.883 2.493 -2.400 1.00 0.14 C ATOM 17 N2 DG A 1 -4.910 2.672 -1.588 1.00 0.16 N ATOM 18 N3 DG A 1 -4.092 2.441 -3.704 1.00 0.14 N ATOM 19 C4 DG A 1 -2.962 2.215 -4.396 1.00 0.13 C ATOM 0 H5' DG A 1 -5.378 4.035 -4.528 1.00 0.40 H new ATOM 0 H5'' DG A 1 -5.169 5.607 -5.274 1.00 0.40 H new ATOM 0 H4' DG A 1 -5.922 4.723 -7.408 1.00 0.22 H new ATOM 0 H3' DG A 1 -7.240 2.654 -6.354 1.00 0.17 H new ATOM 0 H2' DG A 1 -5.360 1.622 -5.183 1.00 0.13 H new ATOM 0 H2'' DG A 1 -5.436 0.693 -6.667 1.00 0.13 H new ATOM 0 HO5' DG A 1 -7.233 5.404 -4.215 1.00 0.63 H new ATOM 0 H1' DG A 1 -3.674 1.791 -7.635 1.00 0.13 H new ATOM 0 H8 DG A 1 -1.185 1.761 -7.012 1.00 0.14 H new ATOM 0 H1 DG A 1 -2.582 2.404 -0.801 1.00 0.13 H new ATOM 0 H21 DG A 1 -5.848 2.790 -1.971 1.00 0.16 H new ATOM 0 H22 DG A 1 -4.765 2.692 -0.579 1.00 0.16 H new ATOM 31 P DG A 2 -6.724 0.950 -8.832 1.00 0.24 P ATOM 32 OP1 DG A 2 -7.484 1.081 -10.096 1.00 0.34 O ATOM 33 OP2 DG A 2 -7.255 0.091 -7.746 1.00 0.27 O ATOM 34 O5' DG A 2 -5.226 0.455 -9.198 1.00 0.29 O ATOM 35 C5' DG A 2 -4.538 -0.491 -8.368 1.00 0.15 C ATOM 36 C4' DG A 2 -3.444 -1.232 -9.108 1.00 0.14 C ATOM 37 O4' DG A 2 -2.176 -0.704 -8.697 1.00 0.15 O ATOM 38 C3' DG A 2 -3.446 -2.735 -8.834 1.00 0.15 C ATOM 39 O3' DG A 2 -3.675 -3.436 -10.058 1.00 0.19 O ATOM 40 C2' DG A 2 -2.049 -3.058 -8.317 1.00 0.15 C ATOM 41 C1' DG A 2 -1.433 -1.708 -8.007 1.00 0.14 C ATOM 42 N9 DG A 2 -1.431 -1.412 -6.572 1.00 0.12 N ATOM 43 C8 DG A 2 -2.483 -1.211 -5.729 1.00 0.12 C ATOM 44 N7 DG A 2 -2.166 -1.103 -4.480 1.00 0.13 N ATOM 45 C5 DG A 2 -0.783 -1.240 -4.486 1.00 0.12 C ATOM 46 C6 DG A 2 0.133 -1.215 -3.407 1.00 0.12 C ATOM 47 O6 DG A 2 -0.112 -1.081 -2.219 1.00 0.14 O ATOM 48 N1 DG A 2 1.440 -1.389 -3.836 1.00 0.12 N ATOM 49 C2 DG A 2 1.814 -1.568 -5.159 1.00 0.12 C ATOM 50 N2 DG A 2 3.110 -1.725 -5.404 1.00 0.13 N ATOM 51 N3 DG A 2 0.949 -1.592 -6.173 1.00 0.12 N ATOM 52 C4 DG A 2 -0.326 -1.424 -5.763 1.00 0.12 C ATOM 0 H5' DG A 2 -5.255 -1.210 -7.973 1.00 0.15 H new ATOM 0 H5'' DG A 2 -4.105 0.029 -7.514 1.00 0.15 H new ATOM 0 H4' DG A 2 -3.623 -1.091 -10.174 1.00 0.14 H new ATOM 0 H3' DG A 2 -4.220 -3.022 -8.122 1.00 0.15 H new ATOM 0 H2' DG A 2 -2.091 -3.688 -7.428 1.00 0.15 H new ATOM 0 H2'' DG A 2 -1.466 -3.598 -9.063 1.00 0.15 H new ATOM 0 H1' DG A 2 -0.393 -1.725 -8.334 1.00 0.14 H new ATOM 0 H8 DG A 2 -3.503 -1.147 -6.077 1.00 0.12 H new ATOM 0 H1 DG A 2 2.176 -1.385 -3.130 1.00 0.12 H new ATOM 0 H21 DG A 2 3.435 -1.860 -6.361 1.00 0.13 H new ATOM 0 H22 DG A 2 3.780 -1.710 -4.635 1.00 0.13 H new ATOM 64 P DT A 3 -4.026 -5.009 -10.052 1.00 0.28 P ATOM 65 OP1 DT A 3 -3.690 -5.553 -11.387 1.00 0.42 O ATOM 66 OP2 DT A 3 -5.393 -5.179 -9.510 1.00 0.40 O ATOM 67 O5' DT A 3 -2.975 -5.601 -8.980 1.00 0.26 O ATOM 68 C5' DT A 3 -3.403 -5.987 -7.667 1.00 0.22 C ATOM 69 C4' DT A 3 -2.234 -6.374 -6.772 1.00 0.20 C ATOM 70 O4' DT A 3 -2.645 -6.349 -5.413 1.00 0.21 O ATOM 71 C3' DT A 3 -1.764 -7.785 -6.988 1.00 0.20 C ATOM 72 O3' DT A 3 -0.513 -7.992 -6.309 1.00 0.25 O ATOM 73 C2' DT A 3 -2.876 -8.550 -6.287 1.00 0.21 C ATOM 74 C1' DT A 3 -3.219 -7.634 -5.118 1.00 0.20 C ATOM 75 N1 DT A 3 -4.658 -7.415 -4.894 1.00 0.23 N ATOM 76 C2 DT A 3 -5.520 -8.499 -4.891 1.00 0.37 C ATOM 77 O2 DT A 3 -5.136 -9.656 -5.061 1.00 0.44 O ATOM 78 N3 DT A 3 -6.852 -8.202 -4.674 1.00 0.45 N ATOM 79 C4 DT A 3 -7.383 -6.940 -4.467 1.00 0.41 C ATOM 80 O4 DT A 3 -8.587 -6.791 -4.285 1.00 0.53 O ATOM 81 C5 DT A 3 -6.400 -5.880 -4.489 1.00 0.27 C ATOM 82 C7 DT A 3 -6.839 -4.430 -4.292 1.00 0.27 C ATOM 83 C6 DT A 3 -5.100 -6.154 -4.694 1.00 0.19 C ATOM 0 H5' DT A 3 -4.093 -6.827 -7.744 1.00 0.22 H new ATOM 0 H5'' DT A 3 -3.952 -5.164 -7.209 1.00 0.22 H new ATOM 0 H4' DT A 3 -1.442 -5.664 -7.012 1.00 0.20 H new ATOM 0 H3' DT A 3 -1.596 -8.067 -8.027 1.00 0.20 H new ATOM 0 H2' DT A 3 -3.733 -8.711 -6.941 1.00 0.21 H new ATOM 0 H2'' DT A 3 -2.543 -9.532 -5.950 1.00 0.21 H new ATOM 0 H1' DT A 3 -2.833 -8.117 -4.220 1.00 0.20 H new ATOM 0 H3 DT A 3 -7.505 -8.986 -4.666 1.00 0.45 H new ATOM 0 H71 DT A 3 -6.034 -3.867 -3.819 1.00 0.27 H new ATOM 0 H72 DT A 3 -7.073 -3.986 -5.260 1.00 0.27 H new ATOM 0 H73 DT A 3 -7.724 -4.401 -3.656 1.00 0.27 H new ATOM 0 H6 DT A 3 -4.388 -5.342 -4.699 1.00 0.19 H new ATOM 96 P DT A 4 0.817 -7.182 -6.737 1.00 0.26 P ATOM 97 OP1 DT A 4 0.517 -6.407 -7.962 1.00 0.34 O ATOM 98 OP2 DT A 4 1.950 -8.133 -6.734 1.00 0.37 O ATOM 99 O5' DT A 4 1.030 -6.142 -5.522 1.00 0.24 O ATOM 100 C5' DT A 4 2.337 -5.619 -5.237 1.00 0.23 C ATOM 101 C4' DT A 4 2.959 -6.255 -4.017 1.00 0.19 C ATOM 102 O4' DT A 4 2.142 -6.062 -2.882 1.00 0.19 O ATOM 103 C3' DT A 4 3.186 -7.753 -4.162 1.00 0.20 C ATOM 104 O3' DT A 4 4.427 -8.131 -3.518 1.00 0.21 O ATOM 105 C2' DT A 4 1.965 -8.374 -3.484 1.00 0.19 C ATOM 106 C1' DT A 4 1.494 -7.290 -2.534 1.00 0.17 C ATOM 107 N1 DT A 4 0.054 -7.003 -2.580 1.00 0.17 N ATOM 108 C2 DT A 4 -0.858 -7.952 -2.145 1.00 0.17 C ATOM 109 O2 DT A 4 -0.537 -9.100 -1.863 1.00 0.20 O ATOM 110 N3 DT A 4 -2.176 -7.540 -2.124 1.00 0.19 N ATOM 111 C4 DT A 4 -2.644 -6.298 -2.513 1.00 0.19 C ATOM 112 O4 DT A 4 -3.836 -6.022 -2.428 1.00 0.22 O ATOM 113 C5 DT A 4 -1.604 -5.410 -2.976 1.00 0.18 C ATOM 114 C7 DT A 4 -1.930 -4.048 -3.540 1.00 0.19 C ATOM 115 C6 DT A 4 -0.339 -5.784 -2.983 1.00 0.18 C ATOM 0 H5' DT A 4 2.269 -4.542 -5.087 1.00 0.23 H new ATOM 0 H5'' DT A 4 2.986 -5.781 -6.098 1.00 0.23 H new ATOM 0 H4' DT A 4 3.926 -5.765 -3.903 1.00 0.19 H new ATOM 0 H3' DT A 4 3.282 -8.086 -5.195 1.00 0.20 H new ATOM 0 H2' DT A 4 1.194 -8.635 -4.209 1.00 0.19 H new ATOM 0 H2'' DT A 4 2.224 -9.289 -2.951 1.00 0.19 H new ATOM 0 H1' DT A 4 1.734 -7.664 -1.539 1.00 0.17 H new ATOM 0 H3 DT A 4 -2.867 -8.213 -1.791 1.00 0.19 H new ATOM 0 H71 DT A 4 -2.911 -4.076 -4.014 1.00 0.19 H new ATOM 0 H72 DT A 4 -1.937 -3.313 -2.735 1.00 0.19 H new ATOM 0 H73 DT A 4 -1.178 -3.770 -4.278 1.00 0.19 H new ATOM 0 H6 DT A 4 0.408 -5.084 -3.326 1.00 0.18 H new ATOM 128 P DT A 5 4.619 -8.270 -1.912 1.00 0.20 P ATOM 129 OP1 DT A 5 6.070 -8.228 -1.627 1.00 0.28 O ATOM 130 OP2 DT A 5 3.818 -9.425 -1.444 1.00 0.25 O ATOM 131 O5' DT A 5 3.961 -6.923 -1.311 1.00 0.17 O ATOM 132 C5' DT A 5 4.513 -5.623 -1.580 1.00 0.14 C ATOM 133 C4' DT A 5 5.144 -4.994 -0.329 1.00 0.13 C ATOM 134 O4' DT A 5 4.160 -4.906 0.715 1.00 0.14 O ATOM 135 C3' DT A 5 6.321 -5.765 0.243 1.00 0.14 C ATOM 136 O3' DT A 5 7.217 -4.830 0.843 1.00 0.19 O ATOM 137 C2' DT A 5 5.690 -6.643 1.311 1.00 0.15 C ATOM 138 C1' DT A 5 4.518 -5.794 1.791 1.00 0.14 C ATOM 139 N1 DT A 5 3.318 -6.583 2.128 1.00 0.12 N ATOM 140 C2 DT A 5 2.935 -6.669 3.459 1.00 0.13 C ATOM 141 O2 DT A 5 3.560 -6.120 4.362 1.00 0.18 O ATOM 142 N3 DT A 5 1.800 -7.421 3.711 1.00 0.14 N ATOM 143 C4 DT A 5 1.048 -8.084 2.774 1.00 0.13 C ATOM 144 O4 DT A 5 0.079 -8.752 3.114 1.00 0.17 O ATOM 145 C5 DT A 5 1.512 -7.926 1.424 1.00 0.12 C ATOM 146 C7 DT A 5 0.682 -8.485 0.287 1.00 0.14 C ATOM 147 C6 DT A 5 2.608 -7.206 1.146 1.00 0.11 C ATOM 0 H5' DT A 5 3.729 -4.968 -1.959 1.00 0.14 H new ATOM 0 H5'' DT A 5 5.266 -5.704 -2.364 1.00 0.14 H new ATOM 0 H4' DT A 5 5.509 -4.021 -0.657 1.00 0.13 H new ATOM 0 H3' DT A 5 6.877 -6.343 -0.495 1.00 0.14 H new ATOM 0 H2' DT A 5 5.359 -7.599 0.906 1.00 0.15 H new ATOM 0 H2'' DT A 5 6.388 -6.864 2.119 1.00 0.15 H new ATOM 0 H1' DT A 5 4.837 -5.278 2.697 1.00 0.14 H new ATOM 0 H3 DT A 5 1.495 -7.488 4.682 1.00 0.14 H new ATOM 0 H71 DT A 5 0.133 -9.361 0.633 1.00 0.14 H new ATOM 0 H72 DT A 5 -0.023 -7.727 -0.056 1.00 0.14 H new ATOM 0 H73 DT A 5 1.337 -8.770 -0.536 1.00 0.14 H new ATOM 0 H6 DT A 5 2.936 -7.118 0.121 1.00 0.11 H new ATOM 160 P DG A 6 8.587 -5.303 1.531 1.00 0.26 P ATOM 161 OP1 DG A 6 8.991 -6.602 0.944 1.00 0.35 O ATOM 162 OP2 DG A 6 8.437 -5.171 2.997 1.00 0.40 O ATOM 163 O5' DG A 6 9.619 -4.179 1.024 1.00 0.21 O ATOM 164 C5' DG A 6 10.046 -4.137 -0.344 1.00 0.21 C ATOM 165 C4' DG A 6 9.572 -2.880 -1.050 1.00 0.14 C ATOM 166 O4' DG A 6 8.283 -3.070 -1.613 1.00 0.14 O ATOM 167 C3' DG A 6 9.421 -1.675 -0.150 1.00 0.14 C ATOM 168 O3' DG A 6 10.708 -1.024 0.008 1.00 0.18 O ATOM 169 C2' DG A 6 8.433 -0.812 -0.931 1.00 0.14 C ATOM 170 C1' DG A 6 7.841 -1.765 -1.962 1.00 0.12 C ATOM 171 N9 DG A 6 6.375 -1.729 -2.019 1.00 0.12 N ATOM 172 C8 DG A 6 5.564 -1.773 -3.113 1.00 0.12 C ATOM 173 N7 DG A 6 4.302 -1.625 -2.868 1.00 0.12 N ATOM 174 C5 DG A 6 4.264 -1.468 -1.488 1.00 0.10 C ATOM 175 C6 DG A 6 3.157 -1.267 -0.640 1.00 0.10 C ATOM 176 O6 DG A 6 1.981 -1.188 -0.961 1.00 0.12 O ATOM 177 N1 DG A 6 3.541 -1.154 0.690 1.00 0.11 N ATOM 178 C2 DG A 6 4.843 -1.230 1.142 1.00 0.12 C ATOM 179 N2 DG A 6 5.032 -1.101 2.446 1.00 0.13 N ATOM 180 N3 DG A 6 5.887 -1.423 0.345 1.00 0.12 N ATOM 181 C4 DG A 6 5.526 -1.532 -0.956 1.00 0.11 C ATOM 0 H5' DG A 6 9.666 -5.013 -0.869 1.00 0.21 H new ATOM 0 H5'' DG A 6 11.134 -4.188 -0.386 1.00 0.21 H new ATOM 0 H4' DG A 6 10.349 -2.696 -1.792 1.00 0.14 H new ATOM 0 H3' DG A 6 9.077 -1.895 0.861 1.00 0.14 H new ATOM 0 H2' DG A 6 7.662 -0.400 -0.280 1.00 0.14 H new ATOM 0 H2'' DG A 6 8.931 0.032 -1.408 1.00 0.14 H new ATOM 0 H1' DG A 6 8.177 -1.464 -2.954 1.00 0.12 H new ATOM 0 H8 DG A 6 5.947 -1.921 -4.112 1.00 0.12 H new ATOM 0 H1 DG A 6 2.808 -1.004 1.383 1.00 0.11 H new ATOM 0 H21 DG A 6 5.975 -1.149 2.832 1.00 0.13 H new ATOM 0 H22 DG A 6 4.235 -0.953 3.065 1.00 0.13 H new ATOM 193 P DG A 7 10.992 0.505 -0.456 1.00 0.20 P ATOM 194 OP1 DG A 7 12.397 0.835 -0.126 1.00 0.31 O ATOM 195 OP2 DG A 7 9.895 1.364 0.053 1.00 0.26 O ATOM 196 O5' DG A 7 10.863 0.418 -2.069 1.00 0.18 O ATOM 197 C5' DG A 7 10.425 1.552 -2.839 1.00 0.18 C ATOM 198 C4' DG A 7 9.505 1.152 -3.999 1.00 0.15 C ATOM 199 O4' DG A 7 8.274 0.594 -3.486 1.00 0.14 O ATOM 200 C3' DG A 7 9.082 2.339 -4.856 1.00 0.17 C ATOM 201 O3' DG A 7 8.626 1.873 -6.144 1.00 0.21 O ATOM 202 C2' DG A 7 7.918 2.856 -4.041 1.00 0.15 C ATOM 203 C1' DG A 7 7.222 1.546 -3.735 1.00 0.14 C ATOM 204 N9 DG A 7 6.325 1.589 -2.576 1.00 0.14 N ATOM 205 C8 DG A 7 6.609 1.655 -1.244 1.00 0.13 C ATOM 206 N7 DG A 7 5.582 1.751 -0.468 1.00 0.13 N ATOM 207 C5 DG A 7 4.521 1.749 -1.359 1.00 0.12 C ATOM 208 C6 DG A 7 3.146 1.836 -1.101 1.00 0.11 C ATOM 209 O6 DG A 7 2.608 1.977 -0.014 1.00 0.13 O ATOM 210 N1 DG A 7 2.400 1.794 -2.274 1.00 0.13 N ATOM 211 C2 DG A 7 2.932 1.690 -3.542 1.00 0.14 C ATOM 212 N2 DG A 7 2.078 1.702 -4.559 1.00 0.15 N ATOM 213 N3 DG A 7 4.236 1.607 -3.781 1.00 0.15 N ATOM 214 C4 DG A 7 4.965 1.644 -2.647 1.00 0.13 C ATOM 0 H5' DG A 7 11.295 2.077 -3.233 1.00 0.18 H new ATOM 0 H5'' DG A 7 9.900 2.250 -2.187 1.00 0.18 H new ATOM 0 H4' DG A 7 10.079 0.443 -4.595 1.00 0.15 H new ATOM 0 H3' DG A 7 9.862 3.073 -5.058 1.00 0.17 H new ATOM 0 H2' DG A 7 8.238 3.380 -3.140 1.00 0.15 H new ATOM 0 H2'' DG A 7 7.286 3.544 -4.603 1.00 0.15 H new ATOM 0 H1' DG A 7 6.582 1.288 -4.578 1.00 0.14 H new ATOM 0 H8 DG A 7 7.620 1.629 -0.866 1.00 0.13 H new ATOM 0 H1 DG A 7 1.385 1.844 -2.190 1.00 0.13 H new ATOM 0 H21 DG A 7 2.423 1.628 -5.516 1.00 0.15 H new ATOM 0 H22 DG A 7 1.077 1.785 -4.383 1.00 0.15 H new ATOM 226 P DT A 8 8.318 2.901 -7.351 1.00 0.24 P ATOM 227 OP1 DT A 8 8.334 2.147 -8.622 1.00 0.36 O 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1.00 0.20 H new ATOM 0 H4' DT A 8 4.371 4.435 -7.143 1.00 0.17 H new ATOM 0 H3' DT A 8 5.361 7.071 -6.763 1.00 0.19 H new ATOM 0 H2' DT A 8 5.373 6.990 -4.362 1.00 0.16 H new ATOM 0 H2'' DT A 8 3.658 7.267 -4.588 1.00 0.16 H new ATOM 0 H1' DT A 8 3.115 4.964 -4.434 1.00 0.15 H new ATOM 0 H3 DT A 8 3.171 4.503 -0.021 1.00 0.23 H new ATOM 0 H71 DT A 8 7.808 5.192 0.039 1.00 0.22 H new ATOM 0 H72 DT A 8 8.056 3.793 -1.033 1.00 0.22 H new ATOM 0 H73 DT A 8 8.198 5.445 -1.679 1.00 0.22 H new ATOM 0 H6 DT A 8 6.584 5.093 -3.338 1.00 0.16 H new ATOM 258 P DT A 9 2.021 5.844 -6.583 1.00 0.25 P ATOM 259 OP1 DT A 9 2.271 4.389 -6.702 1.00 0.31 O ATOM 260 OP2 DT A 9 0.909 6.457 -7.343 1.00 0.33 O ATOM 261 O5' DT A 9 1.819 6.214 -5.018 1.00 0.18 O ATOM 262 C5' DT A 9 0.844 7.186 -4.595 1.00 0.15 C ATOM 263 C4' DT A 9 1.242 7.907 -3.316 1.00 0.15 C ATOM 264 O4' DT A 9 2.476 7.403 -2.789 1.00 0.16 O ATOM 265 C3' DT A 9 1.439 9.405 -3.531 1.00 0.16 C ATOM 266 O3' DT A 9 0.387 10.131 -2.892 1.00 0.20 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0.13 C ATOM 494 C1' DT A 16 -2.211 -3.916 7.490 1.00 0.12 C ATOM 495 N1 DT A 16 -3.525 -3.866 6.839 1.00 0.13 N ATOM 496 C2 DT A 16 -3.878 -4.937 6.059 1.00 0.13 C ATOM 497 O2 DT A 16 -3.294 -5.994 6.123 1.00 0.14 O ATOM 498 N3 DT A 16 -5.042 -4.826 5.363 1.00 0.13 N ATOM 499 C4 DT A 16 -5.923 -3.764 5.418 1.00 0.14 C ATOM 500 O4 DT A 16 -6.969 -3.787 4.779 1.00 0.17 O ATOM 501 C5 DT A 16 -5.491 -2.696 6.299 1.00 0.14 C ATOM 502 C7 DT A 16 -6.398 -1.493 6.547 1.00 0.16 C ATOM 503 C6 DT A 16 -4.318 -2.782 6.956 1.00 0.14 C ATOM 0 H5' DT A 16 0.835 -6.664 6.156 1.00 0.12 H new ATOM 0 H5'' DT A 16 -0.158 -7.597 7.259 1.00 0.12 H new ATOM 0 H4' DT A 16 0.491 -5.021 7.582 1.00 0.11 H new ATOM 0 H3' DT A 16 -1.586 -6.726 8.771 1.00 0.12 H new ATOM 0 H2' DT A 16 -3.255 -5.093 8.977 1.00 0.13 H new ATOM 0 H2'' DT A 16 -2.092 -3.968 9.651 1.00 0.13 H new ATOM 0 H1' DT A 16 -1.868 -2.900 7.685 1.00 0.12 H new ATOM 0 H3 DT A 16 -5.286 -5.599 4.743 1.00 0.13 H new ATOM 0 H71 DT A 16 -6.214 -1.099 7.546 1.00 0.16 H new ATOM 0 H72 DT A 16 -6.188 -0.720 5.808 1.00 0.16 H new ATOM 0 H73 DT A 16 -7.441 -1.800 6.464 1.00 0.16 H new ATOM 0 H6 DT A 16 -4.006 -1.965 7.590 1.00 0.14 H new ATOM 516 P DG A 17 0.705 -4.258 9.933 1.00 0.21 P ATOM 517 OP1 DG A 17 1.928 -4.505 9.135 1.00 0.30 O ATOM 518 OP2 DG A 17 0.819 -3.916 11.370 1.00 0.39 O ATOM 519 O5' DG A 17 -0.145 -3.090 9.205 1.00 0.20 O ATOM 520 C5' DG A 17 0.524 -2.021 8.530 1.00 0.17 C ATOM 521 C4' DG A 17 1.390 -1.218 9.483 1.00 0.14 C ATOM 522 O4' DG A 17 2.677 -1.174 8.933 1.00 0.14 O ATOM 523 C3' DG A 17 0.970 0.233 9.710 1.00 0.13 C ATOM 524 O3' DG A 17 1.449 0.704 10.983 1.00 0.16 O ATOM 525 C2' DG A 17 1.685 0.981 8.607 1.00 0.12 C ATOM 526 C1' DG A 17 2.742 -0.021 8.122 1.00 0.11 C ATOM 527 N9 DG A 17 2.612 -0.413 6.718 1.00 0.11 N ATOM 528 C8 DG A 17 3.621 -0.667 5.870 1.00 0.12 C ATOM 529 N7 DG A 17 3.306 -0.770 4.631 1.00 0.11 N ATOM 530 C5 DG A 17 1.940 -0.589 4.642 1.00 0.11 C ATOM 531 C6 DG A 17 1.041 -0.603 3.568 1.00 0.11 C ATOM 532 O6 DG A 17 1.305 -0.723 2.375 1.00 0.12 O ATOM 533 N1 DG A 17 -0.263 -0.407 3.991 1.00 0.11 N ATOM 534 C2 DG A 17 -0.646 -0.213 5.315 1.00 0.12 C ATOM 535 N2 DG A 17 -1.950 -0.106 5.571 1.00 0.12 N ATOM 536 N3 DG A 17 0.216 -0.181 6.329 1.00 0.13 N ATOM 537 C4 DG A 17 1.489 -0.379 5.922 1.00 0.11 C ATOM 0 H5' DG A 17 -0.212 -1.365 8.065 1.00 0.17 H new ATOM 0 H5'' DG A 17 1.142 -2.425 7.728 1.00 0.17 H new ATOM 0 H4' DG A 17 1.309 -1.718 10.448 1.00 0.14 H new ATOM 0 H3' DG A 17 -0.112 0.361 9.703 1.00 0.13 H new ATOM 0 H2' DG A 17 1.002 1.264 7.806 1.00 0.12 H new ATOM 0 H2'' DG A 17 2.142 1.900 8.975 1.00 0.12 H new ATOM 0 H1' DG A 17 3.705 0.484 8.202 1.00 0.11 H new ATOM 0 H8 DG A 17 4.640 -0.778 6.211 1.00 0.12 H new ATOM 0 H1 DG A 17 -0.996 -0.405 3.281 1.00 0.11 H new ATOM 0 H21 DG A 17 -2.272 0.037 6.528 1.00 0.12 H new ATOM 0 H22 DG A 17 -2.626 -0.167 4.809 1.00 0.12 H new ATOM 549 P DG A 18 2.948 0.404 11.525 1.00 0.21 P ATOM 550 OP1 DG A 18 3.121 -1.062 11.630 1.00 0.26 O ATOM 551 OP2 DG A 18 3.171 1.249 12.719 1.00 0.31 O ATOM 552 O5' DG A 18 3.919 0.947 10.349 1.00 0.18 O ATOM 553 C5' DG A 18 5.255 0.432 10.221 1.00 0.22 C ATOM 554 C4' DG A 18 6.103 1.249 9.242 1.00 0.19 C ATOM 555 O4' DG A 18 5.600 1.088 7.902 1.00 0.18 O ATOM 556 C3' DG A 18 6.131 2.753 9.546 1.00 0.21 C ATOM 557 O3' DG A 18 7.467 3.269 9.510 1.00 0.29 O ATOM 558 C2' DG A 18 5.280 3.341 8.432 1.00 0.18 C ATOM 559 C1' DG A 18 5.552 2.376 7.294 1.00 0.15 C ATOM 560 N9 DG A 18 4.502 2.367 6.264 1.00 0.14 N ATOM 561 C8 DG A 18 3.160 2.499 6.437 1.00 0.14 C ATOM 562 N7 DG A 18 2.464 2.478 5.357 1.00 0.15 N ATOM 563 C5 DG A 18 3.407 2.316 4.357 1.00 0.14 C ATOM 564 C6 DG A 18 3.218 2.222 2.957 1.00 0.14 C ATOM 565 O6 DG A 18 2.159 2.271 2.340 1.00 0.16 O ATOM 566 N1 DG A 18 4.423 2.060 2.286 1.00 0.13 N ATOM 567 C2 DG A 18 5.660 1.998 2.907 1.00 0.13 C ATOM 568 N2 DG A 18 6.709 1.840 2.108 1.00 0.14 N ATOM 569 N3 DG A 18 5.839 2.088 4.234 1.00 0.14 N ATOM 570 C4 DG A 18 4.669 2.245 4.896 1.00 0.13 C ATOM 0 H5' DG A 18 5.212 -0.604 9.884 1.00 0.22 H new ATOM 0 H5'' DG A 18 5.736 0.429 11.199 1.00 0.22 H new ATOM 0 H4' DG A 18 7.118 0.865 9.349 1.00 0.19 H new ATOM 0 H3' DG A 18 5.762 2.996 10.542 1.00 0.21 H new ATOM 0 H2' DG A 18 4.223 3.373 8.698 1.00 0.18 H new ATOM 0 H2'' DG A 18 5.577 4.360 8.184 1.00 0.18 H new ATOM 0 HO3' DG A 18 7.452 4.229 9.706 1.00 0.29 H new ATOM 0 H1' DG A 18 6.470 2.668 6.785 1.00 0.15 H new ATOM 0 H8 DG A 18 2.711 2.613 7.413 1.00 0.14 H new ATOM 0 H1 DG A 18 4.396 1.982 1.269 1.00 0.13 H new ATOM 0 H21 DG A 18 7.648 1.787 2.503 1.00 0.14 H new ATOM 0 H22 DG A 18 6.576 1.772 1.099 1.00 0.14 H new TER 582 DG A 18