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 26:sc= 0.0132 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.928 (180deg=-0.928) USER MOD Single : A 4 DT C7 :methyl -30:sc= -7.2! (180deg=-8.32!) USER MOD Single : A 5 DT C7 :methyl -30:sc= -13.8! (180deg=-15.7!) USER MOD Single : A 8 DT C7 :methyl -30:sc= -5.34! (180deg=-11.8!) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= -4.1! (180deg=-4.1!) USER MOD Single : A 11 DT C7 :methyl -30:sc= -5.09! (180deg=-10.5!) USER MOD Single : A 14 DT C7 :methyl 150:sc= -17.2! (180deg=-17.2!) USER MOD Single : A 15 DT C7 :methyl 150:sc= -7.53! (180deg=-7.53!) USER MOD Single : A 16 DT C7 :methyl 150:sc= -5.64! (180deg=-5.64!) USER MOD Single : A 18 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -6.251 4.973 -5.372 1.00 0.42 O ATOM 2 C5' DG A 1 -6.277 4.973 -6.804 1.00 0.31 C ATOM 3 C4' DG A 1 -5.622 3.713 -7.376 1.00 0.20 C ATOM 4 O4' DG A 1 -4.294 3.606 -6.869 1.00 0.14 O ATOM 5 C3' DG A 1 -6.348 2.410 -6.999 1.00 0.21 C ATOM 6 O3' DG A 1 -6.820 1.688 -8.170 1.00 0.25 O ATOM 7 C2' DG A 1 -5.307 1.570 -6.277 1.00 0.17 C ATOM 8 C1' DG A 1 -4.004 2.226 -6.716 1.00 0.14 C ATOM 9 N9 DG A 1 -2.902 2.100 -5.754 1.00 0.14 N ATOM 10 C8 DG A 1 -1.594 1.857 -6.005 1.00 0.14 C ATOM 11 N7 DG A 1 -0.828 1.808 -4.956 1.00 0.14 N ATOM 12 C5 DG A 1 -1.714 2.047 -3.908 1.00 0.13 C ATOM 13 C6 DG A 1 -1.470 2.125 -2.513 1.00 0.13 C ATOM 14 O6 DG A 1 -0.405 2.008 -1.925 1.00 0.16 O ATOM 15 N1 DG A 1 -2.633 2.379 -1.807 1.00 0.14 N ATOM 16 C2 DG A 1 -3.879 2.538 -2.375 1.00 0.15 C ATOM 17 N2 DG A 1 -4.892 2.731 -1.544 1.00 0.15 N ATOM 18 N3 DG A 1 -4.109 2.472 -3.685 1.00 0.15 N ATOM 19 C4 DG A 1 -2.987 2.225 -4.388 1.00 0.13 C ATOM 0 H5' DG A 1 -5.759 5.856 -7.179 1.00 0.31 H new ATOM 0 H5'' DG A 1 -7.308 5.038 -7.150 1.00 0.31 H new ATOM 0 H4' DG A 1 -5.657 3.823 -8.460 1.00 0.20 H new ATOM 0 H3' DG A 1 -7.227 2.624 -6.391 1.00 0.21 H new ATOM 0 H2' DG A 1 -5.436 1.604 -5.195 1.00 0.17 H new ATOM 0 H2'' DG A 1 -5.354 0.522 -6.571 1.00 0.17 H new ATOM 0 HO5' DG A 1 -5.504 4.421 -5.058 1.00 0.42 H new ATOM 0 H1' DG A 1 -3.667 1.729 -7.626 1.00 0.14 H new ATOM 0 H8 DG A 1 -1.214 1.714 -7.006 1.00 0.14 H new ATOM 0 H1 DG A 1 -2.563 2.454 -0.792 1.00 0.14 H new ATOM 0 H21 DG A 1 -5.836 2.855 -1.910 1.00 0.15 H new ATOM 0 H22 DG A 1 -4.728 2.756 -0.538 1.00 0.15 H new ATOM 31 P DG A 2 -6.015 1.597 -9.588 1.00 0.25 P ATOM 32 OP1 DG A 2 -5.841 2.974 -10.101 1.00 0.33 O ATOM 33 OP2 DG A 2 -6.696 0.589 -10.431 1.00 0.32 O ATOM 34 O5' DG A 2 -4.550 1.019 -9.200 1.00 0.21 O ATOM 35 C5' DG A 2 -4.371 -0.247 -8.541 1.00 0.18 C ATOM 36 C4' DG A 2 -3.280 -1.087 -9.167 1.00 0.16 C ATOM 37 O4' DG A 2 -2.017 -0.626 -8.667 1.00 0.19 O ATOM 38 C3' DG A 2 -3.413 -2.570 -8.827 1.00 0.15 C ATOM 39 O3' DG A 2 -3.717 -3.305 -10.016 1.00 0.21 O ATOM 40 C2' DG A 2 -2.044 -2.988 -8.306 1.00 0.16 C ATOM 41 C1' DG A 2 -1.354 -1.680 -7.968 1.00 0.15 C ATOM 42 N9 DG A 2 -1.353 -1.396 -6.527 1.00 0.13 N ATOM 43 C8 DG A 2 -2.403 -1.198 -5.675 1.00 0.14 C ATOM 44 N7 DG A 2 -2.081 -1.100 -4.426 1.00 0.13 N ATOM 45 C5 DG A 2 -0.700 -1.242 -4.440 1.00 0.12 C ATOM 46 C6 DG A 2 0.217 -1.228 -3.365 1.00 0.11 C ATOM 47 O6 DG A 2 -0.025 -1.089 -2.175 1.00 0.12 O ATOM 48 N1 DG A 2 1.521 -1.407 -3.801 1.00 0.11 N ATOM 49 C2 DG A 2 1.892 -1.579 -5.128 1.00 0.12 C ATOM 50 N2 DG A 2 3.186 -1.748 -5.381 1.00 0.13 N ATOM 51 N3 DG A 2 1.023 -1.591 -6.136 1.00 0.13 N ATOM 52 C4 DG A 2 -0.247 -1.419 -5.721 1.00 0.12 C ATOM 0 H5' DG A 2 -5.309 -0.801 -8.568 1.00 0.18 H new ATOM 0 H5'' DG A 2 -4.133 -0.074 -7.492 1.00 0.18 H new ATOM 0 H4' DG A 2 -3.359 -0.983 -10.249 1.00 0.16 H new ATOM 0 H3' DG A 2 -4.203 -2.757 -8.100 1.00 0.15 H new ATOM 0 H2' DG A 2 -2.131 -3.629 -7.429 1.00 0.16 H new ATOM 0 H2'' DG A 2 -1.487 -3.549 -9.057 1.00 0.16 H new ATOM 0 H1' DG A 2 -0.311 -1.759 -8.273 1.00 0.15 H new ATOM 0 H8 DG A 2 -3.425 -1.129 -6.019 1.00 0.14 H new ATOM 0 H1 DG A 2 2.260 -1.413 -3.098 1.00 0.11 H new ATOM 0 H21 DG A 2 3.505 -1.878 -6.341 1.00 0.13 H new ATOM 0 H22 DG A 2 3.860 -1.748 -4.615 1.00 0.13 H new ATOM 64 P DT A 3 -4.215 -4.833 -9.927 1.00 0.25 P ATOM 65 OP1 DT A 3 -4.055 -5.448 -11.264 1.00 0.39 O ATOM 66 OP2 DT A 3 -5.538 -4.851 -9.261 1.00 0.32 O ATOM 67 O5' DT A 3 -3.133 -5.491 -8.928 1.00 0.23 O ATOM 68 C5' DT A 3 -3.502 -5.874 -7.598 1.00 0.24 C ATOM 69 C4' DT A 3 -2.295 -6.256 -6.751 1.00 0.19 C ATOM 70 O4' DT A 3 -2.663 -6.253 -5.381 1.00 0.20 O ATOM 71 C3' DT A 3 -1.819 -7.661 -6.998 1.00 0.19 C ATOM 72 O3' DT A 3 -0.549 -7.872 -6.354 1.00 0.21 O ATOM 73 C2' DT A 3 -2.907 -8.443 -6.277 1.00 0.22 C ATOM 74 C1' DT A 3 -3.238 -7.538 -5.095 1.00 0.20 C ATOM 75 N1 DT A 3 -4.675 -7.321 -4.859 1.00 0.25 N ATOM 76 C2 DT A 3 -5.532 -8.410 -4.855 1.00 0.36 C ATOM 77 O2 DT A 3 -5.144 -9.561 -5.048 1.00 0.43 O ATOM 78 N3 DT A 3 -6.863 -8.125 -4.615 1.00 0.43 N ATOM 79 C4 DT A 3 -7.398 -6.871 -4.386 1.00 0.42 C ATOM 80 O4 DT A 3 -8.602 -6.733 -4.180 1.00 0.50 O ATOM 81 C5 DT A 3 -6.425 -5.802 -4.412 1.00 0.32 C ATOM 82 C7 DT A 3 -6.874 -4.361 -4.185 1.00 0.37 C ATOM 83 C6 DT A 3 -5.125 -6.063 -4.641 1.00 0.25 C ATOM 0 H5' DT A 3 -4.193 -6.716 -7.643 1.00 0.24 H new ATOM 0 H5'' DT A 3 -4.033 -5.051 -7.119 1.00 0.24 H new ATOM 0 H4' DT A 3 -1.518 -5.536 -7.010 1.00 0.19 H new ATOM 0 H3' DT A 3 -1.675 -7.925 -8.046 1.00 0.19 H new ATOM 0 H2' DT A 3 -3.775 -8.612 -6.914 1.00 0.22 H new ATOM 0 H2'' DT A 3 -2.555 -9.422 -5.952 1.00 0.22 H new ATOM 0 H1' DT A 3 -2.845 -8.029 -4.204 1.00 0.20 H new ATOM 0 H3 DT A 3 -7.511 -8.913 -4.606 1.00 0.43 H new ATOM 0 H71 DT A 3 -6.065 -3.797 -3.720 1.00 0.37 H new ATOM 0 H72 DT A 3 -7.131 -3.905 -5.141 1.00 0.37 H new ATOM 0 H73 DT A 3 -7.746 -4.350 -3.531 1.00 0.37 H new ATOM 0 H6 DT A 3 -4.420 -5.245 -4.651 1.00 0.25 H new ATOM 96 P DT A 4 0.766 -7.039 -6.789 1.00 0.22 P ATOM 97 OP1 DT A 4 0.429 -6.218 -7.974 1.00 0.27 O ATOM 98 OP2 DT A 4 1.904 -7.983 -6.855 1.00 0.31 O ATOM 99 O5' DT A 4 1.005 -6.047 -5.538 1.00 0.21 O ATOM 100 C5' DT A 4 2.325 -5.580 -5.211 1.00 0.20 C ATOM 101 C4' DT A 4 2.907 -6.294 -4.017 1.00 0.19 C ATOM 102 O4' DT A 4 2.086 -6.113 -2.886 1.00 0.19 O ATOM 103 C3' DT A 4 3.081 -7.794 -4.226 1.00 0.20 C ATOM 104 O3' DT A 4 4.317 -8.240 -3.621 1.00 0.24 O ATOM 105 C2' DT A 4 1.860 -8.407 -3.543 1.00 0.20 C ATOM 106 C1' DT A 4 1.431 -7.339 -2.555 1.00 0.18 C ATOM 107 N1 DT A 4 -0.005 -7.028 -2.560 1.00 0.18 N ATOM 108 C2 DT A 4 -0.922 -7.957 -2.095 1.00 0.20 C ATOM 109 O2 DT A 4 -0.612 -9.108 -1.804 1.00 0.24 O ATOM 110 N3 DT A 4 -2.234 -7.526 -2.056 1.00 0.21 N ATOM 111 C4 DT A 4 -2.691 -6.280 -2.451 1.00 0.20 C ATOM 112 O4 DT A 4 -3.877 -5.985 -2.349 1.00 0.24 O ATOM 113 C5 DT A 4 -1.645 -5.411 -2.943 1.00 0.19 C ATOM 114 C7 DT A 4 -1.956 -4.051 -3.524 1.00 0.21 C ATOM 115 C6 DT A 4 -0.387 -5.803 -2.967 1.00 0.18 C ATOM 0 H5' DT A 4 2.289 -4.509 -5.009 1.00 0.20 H new ATOM 0 H5'' DT A 4 2.981 -5.721 -6.070 1.00 0.20 H new ATOM 0 H4' DT A 4 3.893 -5.853 -3.871 1.00 0.19 H new ATOM 0 H3' DT A 4 3.143 -8.081 -5.276 1.00 0.20 H new ATOM 0 H2' DT A 4 1.070 -8.631 -4.260 1.00 0.20 H new ATOM 0 H2'' DT A 4 2.109 -9.342 -3.040 1.00 0.20 H new ATOM 0 H1' DT A 4 1.692 -7.743 -1.577 1.00 0.18 H new ATOM 0 H3 DT A 4 -2.929 -8.185 -1.705 1.00 0.21 H new ATOM 0 H71 DT A 4 -2.943 -4.070 -3.985 1.00 0.21 H new ATOM 0 H72 DT A 4 -1.940 -3.304 -2.730 1.00 0.21 H new ATOM 0 H73 DT A 4 -1.209 -3.797 -4.276 1.00 0.21 H new ATOM 0 H6 DT A 4 0.365 -5.116 -3.326 1.00 0.18 H new ATOM 128 P DT A 5 4.545 -8.366 -2.021 1.00 0.26 P ATOM 129 OP1 DT A 5 6.004 -8.392 -1.774 1.00 0.36 O ATOM 130 OP2 DT A 5 3.699 -9.469 -1.508 1.00 0.33 O ATOM 131 O5' DT A 5 3.970 -6.977 -1.438 1.00 0.22 O ATOM 132 C5' DT A 5 4.676 -5.738 -1.622 1.00 0.17 C ATOM 133 C4' DT A 5 5.428 -5.323 -0.350 1.00 0.16 C ATOM 134 O4' DT A 5 4.491 -5.125 0.721 1.00 0.16 O ATOM 135 C3' DT A 5 6.452 -6.360 0.111 1.00 0.17 C ATOM 136 O3' DT A 5 7.689 -5.717 0.451 1.00 0.20 O ATOM 137 C2' DT A 5 5.835 -7.019 1.340 1.00 0.19 C ATOM 138 C1' DT A 5 4.750 -6.044 1.794 1.00 0.16 C ATOM 139 N1 DT A 5 3.476 -6.716 2.121 1.00 0.14 N ATOM 140 C2 DT A 5 3.078 -6.772 3.451 1.00 0.15 C ATOM 141 O2 DT A 5 3.725 -6.257 4.356 1.00 0.19 O ATOM 142 N3 DT A 5 1.896 -7.453 3.697 1.00 0.16 N ATOM 143 C4 DT A 5 1.108 -8.068 2.756 1.00 0.15 C ATOM 144 O4 DT A 5 0.105 -8.684 3.093 1.00 0.20 O ATOM 145 C5 DT A 5 1.588 -7.940 1.410 1.00 0.14 C ATOM 146 C7 DT A 5 0.731 -8.447 0.269 1.00 0.16 C ATOM 147 C6 DT A 5 2.730 -7.290 1.135 1.00 0.14 C ATOM 0 H5' DT A 5 3.971 -4.955 -1.901 1.00 0.17 H new ATOM 0 H5'' DT A 5 5.382 -5.840 -2.446 1.00 0.17 H new ATOM 0 H4' DT A 5 5.962 -4.406 -0.597 1.00 0.16 H new ATOM 0 H3' DT A 5 6.675 -7.089 -0.668 1.00 0.17 H new ATOM 0 H2' DT A 5 5.415 -7.995 1.098 1.00 0.19 H new ATOM 0 H2'' DT A 5 6.579 -7.177 2.121 1.00 0.19 H new ATOM 0 H1' DT A 5 5.114 -5.548 2.694 1.00 0.16 H new ATOM 0 H3 DT A 5 1.583 -7.502 4.667 1.00 0.16 H new ATOM 0 H71 DT A 5 0.127 -9.287 0.613 1.00 0.16 H new ATOM 0 H72 DT A 5 0.076 -7.647 -0.078 1.00 0.16 H new ATOM 0 H73 DT A 5 1.372 -8.772 -0.551 1.00 0.16 H new ATOM 0 H6 DT A 5 3.065 -7.220 0.111 1.00 0.14 H new ATOM 160 P DG A 6 7.809 -4.669 1.672 1.00 0.22 P ATOM 161 OP1 DG A 6 7.892 -5.437 2.935 1.00 0.25 O ATOM 162 OP2 DG A 6 6.773 -3.633 1.515 1.00 0.31 O ATOM 163 O5' DG A 6 9.250 -3.999 1.402 1.00 0.29 O ATOM 164 C5' DG A 6 9.879 -4.087 0.115 1.00 0.26 C ATOM 165 C4' DG A 6 9.524 -2.914 -0.773 1.00 0.17 C ATOM 166 O4' DG A 6 8.263 -3.118 -1.391 1.00 0.17 O ATOM 167 C3' DG A 6 9.402 -1.603 -0.041 1.00 0.14 C ATOM 168 O3' DG A 6 10.703 -0.977 0.044 1.00 0.17 O ATOM 169 C2' DG A 6 8.456 -0.814 -0.935 1.00 0.14 C ATOM 170 C1' DG A 6 7.876 -1.846 -1.888 1.00 0.13 C ATOM 171 N9 DG A 6 6.418 -1.775 -1.975 1.00 0.13 N ATOM 172 C8 DG A 6 5.619 -1.815 -3.078 1.00 0.14 C ATOM 173 N7 DG A 6 4.355 -1.661 -2.840 1.00 0.14 N ATOM 174 C5 DG A 6 4.312 -1.508 -1.458 1.00 0.12 C ATOM 175 C6 DG A 6 3.206 -1.303 -0.612 1.00 0.12 C ATOM 176 O6 DG A 6 2.032 -1.226 -0.930 1.00 0.14 O ATOM 177 N1 DG A 6 3.592 -1.194 0.719 1.00 0.11 N ATOM 178 C2 DG A 6 4.891 -1.274 1.171 1.00 0.11 C ATOM 179 N2 DG A 6 5.080 -1.148 2.476 1.00 0.11 N ATOM 180 N3 DG A 6 5.931 -1.466 0.373 1.00 0.12 N ATOM 181 C4 DG A 6 5.568 -1.575 -0.924 1.00 0.12 C ATOM 0 H5' DG A 6 9.578 -5.014 -0.372 1.00 0.26 H new ATOM 0 H5'' DG A 6 10.961 -4.130 0.243 1.00 0.26 H new ATOM 0 H4' DG A 6 10.347 -2.860 -1.486 1.00 0.17 H new ATOM 0 H3' DG A 6 9.039 -1.685 0.984 1.00 0.14 H new ATOM 0 H2' DG A 6 7.673 -0.329 -0.352 1.00 0.14 H new ATOM 0 H2'' DG A 6 8.984 -0.029 -1.475 1.00 0.14 H new ATOM 0 H1' DG A 6 8.252 -1.661 -2.894 1.00 0.13 H new ATOM 0 H8 DG A 6 6.009 -1.964 -4.074 1.00 0.14 H new ATOM 0 H1 DG A 6 2.859 -1.044 1.412 1.00 0.11 H new ATOM 0 H21 DG A 6 6.023 -1.200 2.862 1.00 0.11 H new ATOM 0 H22 DG A 6 4.283 -0.999 3.095 1.00 0.11 H new ATOM 193 P DG A 7 10.964 0.569 -0.367 1.00 0.20 P ATOM 194 OP1 DG A 7 12.350 0.918 0.017 1.00 0.32 O ATOM 195 OP2 DG A 7 9.831 1.392 0.127 1.00 0.23 O ATOM 196 O5' DG A 7 10.888 0.528 -1.985 1.00 0.19 O ATOM 197 C5' DG A 7 10.383 1.652 -2.730 1.00 0.20 C ATOM 198 C4' DG A 7 9.518 1.229 -3.927 1.00 0.19 C ATOM 199 O4' DG A 7 8.294 0.611 -3.470 1.00 0.19 O ATOM 200 C3' DG A 7 9.073 2.406 -4.782 1.00 0.19 C ATOM 201 O3' DG A 7 8.668 1.933 -6.082 1.00 0.22 O ATOM 202 C2' DG A 7 7.872 2.869 -3.990 1.00 0.17 C ATOM 203 C1' DG A 7 7.214 1.532 -3.717 1.00 0.16 C ATOM 204 N9 DG A 7 6.311 1.533 -2.565 1.00 0.14 N ATOM 205 C8 DG A 7 6.596 1.577 -1.233 1.00 0.14 C ATOM 206 N7 DG A 7 5.570 1.677 -0.457 1.00 0.14 N ATOM 207 C5 DG A 7 4.507 1.697 -1.348 1.00 0.13 C ATOM 208 C6 DG A 7 3.133 1.799 -1.089 1.00 0.13 C ATOM 209 O6 DG A 7 2.595 1.937 -0.002 1.00 0.15 O ATOM 210 N1 DG A 7 2.389 1.782 -2.263 1.00 0.13 N ATOM 211 C2 DG A 7 2.918 1.684 -3.533 1.00 0.14 C ATOM 212 N2 DG A 7 2.061 1.708 -4.548 1.00 0.15 N ATOM 213 N3 DG A 7 4.222 1.588 -3.773 1.00 0.14 N ATOM 214 C4 DG A 7 4.951 1.603 -2.638 1.00 0.13 C ATOM 0 H5' DG A 7 11.220 2.252 -3.086 1.00 0.20 H new ATOM 0 H5'' DG A 7 9.794 2.287 -2.068 1.00 0.20 H new ATOM 0 H4' DG A 7 10.145 0.553 -4.508 1.00 0.19 H new ATOM 0 H3' DG A 7 9.828 3.172 -4.959 1.00 0.19 H new ATOM 0 H2' DG A 7 8.151 3.392 -3.075 1.00 0.17 H new ATOM 0 H2'' DG A 7 7.231 3.542 -4.559 1.00 0.17 H new ATOM 0 H1' DG A 7 6.592 1.264 -4.571 1.00 0.16 H new ATOM 0 H8 DG A 7 7.607 1.532 -0.855 1.00 0.14 H new ATOM 0 H1 DG A 7 1.375 1.847 -2.179 1.00 0.13 H new ATOM 0 H21 DG A 7 2.403 1.639 -5.506 1.00 0.15 H new ATOM 0 H22 DG A 7 1.061 1.796 -4.369 1.00 0.15 H new ATOM 226 P DT A 8 8.384 2.955 -7.296 1.00 0.24 P ATOM 227 OP1 DT A 8 8.472 2.205 -8.567 1.00 0.32 O ATOM 228 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H new ATOM 0 H4' DT A 8 4.422 4.376 -7.207 1.00 0.17 H new ATOM 0 H3' DT A 8 5.305 7.037 -6.746 1.00 0.18 H new ATOM 0 H2' DT A 8 5.208 6.914 -4.349 1.00 0.15 H new ATOM 0 H2'' DT A 8 3.502 7.167 -4.659 1.00 0.15 H new ATOM 0 H1' DT A 8 2.995 4.844 -4.580 1.00 0.13 H new ATOM 0 H3 DT A 8 2.778 4.417 -0.166 1.00 0.16 H new ATOM 0 H71 DT A 8 7.420 5.084 0.152 1.00 0.18 H new ATOM 0 H72 DT A 8 7.711 3.687 -0.911 1.00 0.18 H new ATOM 0 H73 DT A 8 7.900 5.340 -1.543 1.00 0.18 H new ATOM 0 H6 DT A 8 6.380 4.999 -3.280 1.00 0.13 H new ATOM 258 P DT A 9 2.002 5.703 -6.726 1.00 0.19 P ATOM 259 OP1 DT A 9 2.309 4.256 -6.780 1.00 0.24 O ATOM 260 OP2 DT A 9 0.921 6.255 -7.570 1.00 0.26 O ATOM 261 O5' DT A 9 1.696 6.112 -5.184 1.00 0.14 O ATOM 262 C5' DT A 9 0.765 7.165 -4.859 1.00 0.13 C ATOM 263 C4' DT A 9 1.090 7.875 -3.549 1.00 0.14 C ATOM 264 O4' DT A 9 2.280 7.357 -2.942 1.00 0.15 O ATOM 265 C3' DT A 9 1.312 9.377 -3.731 1.00 0.16 C ATOM 266 O3' DT A 9 0.218 10.110 -3.174 1.00 0.19 O ATOM 267 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ATOM 494 C1' DT A 16 -2.138 -3.996 7.538 1.00 0.14 C ATOM 495 N1 DT A 16 -3.454 -3.944 6.893 1.00 0.14 N ATOM 496 C2 DT A 16 -3.809 -5.010 6.105 1.00 0.13 C ATOM 497 O2 DT A 16 -3.225 -6.067 6.160 1.00 0.15 O ATOM 498 N3 DT A 16 -4.971 -4.892 5.410 1.00 0.14 N ATOM 499 C4 DT A 16 -5.850 -3.827 5.469 1.00 0.17 C ATOM 500 O4 DT A 16 -6.892 -3.841 4.823 1.00 0.20 O ATOM 501 C5 DT A 16 -5.417 -2.766 6.357 1.00 0.18 C ATOM 502 C7 DT A 16 -6.321 -1.562 6.612 1.00 0.23 C ATOM 503 C6 DT A 16 -4.246 -2.860 7.015 1.00 0.16 C ATOM 0 H5' DT A 16 0.903 -6.738 6.171 1.00 0.12 H new ATOM 0 H5'' DT A 16 -0.093 -7.676 7.266 1.00 0.12 H new ATOM 0 H4' DT A 16 0.566 -5.100 7.604 1.00 0.12 H new ATOM 0 H3' DT A 16 -1.490 -6.810 8.809 1.00 0.13 H new ATOM 0 H2' DT A 16 -3.169 -5.187 9.021 1.00 0.15 H new ATOM 0 H2'' DT A 16 -2.011 -4.060 9.697 1.00 0.15 H new ATOM 0 H1' DT A 16 -1.795 -2.981 7.740 1.00 0.14 H new ATOM 0 H3 DT A 16 -5.217 -5.661 4.787 1.00 0.14 H new ATOM 0 H71 DT A 16 -6.137 -1.175 7.614 1.00 0.23 H new ATOM 0 H72 DT A 16 -6.108 -0.785 5.878 1.00 0.23 H new ATOM 0 H73 DT A 16 -7.364 -1.866 6.526 1.00 0.23 H new ATOM 0 H6 DT A 16 -3.934 -2.048 7.655 1.00 0.16 H new ATOM 516 P DG A 17 0.801 -4.322 9.941 1.00 0.20 P ATOM 517 OP1 DG A 17 2.006 -4.561 9.114 1.00 0.30 O ATOM 518 OP2 DG A 17 0.946 -3.988 11.377 1.00 0.35 O ATOM 519 O5' DG A 17 -0.068 -3.152 9.238 1.00 0.19 O ATOM 520 C5' DG A 17 0.580 -2.071 8.560 1.00 0.17 C ATOM 521 C4' DG A 17 1.414 -1.230 9.513 1.00 0.16 C ATOM 522 O4' DG A 17 2.714 -1.191 8.993 1.00 0.15 O ATOM 523 C3' DG A 17 0.975 0.227 9.689 1.00 0.17 C ATOM 524 O3' DG A 17 1.399 0.738 10.966 1.00 0.20 O ATOM 525 C2' DG A 17 1.727 0.955 8.599 1.00 0.15 C ATOM 526 C1' DG A 17 2.788 -0.059 8.152 1.00 0.13 C ATOM 527 N9 DG A 17 2.666 -0.477 6.755 1.00 0.12 N ATOM 528 C8 DG A 17 3.677 -0.730 5.911 1.00 0.12 C ATOM 529 N7 DG A 17 3.365 -0.831 4.670 1.00 0.12 N ATOM 530 C5 DG A 17 2.000 -0.651 4.679 1.00 0.12 C ATOM 531 C6 DG A 17 1.102 -0.663 3.602 1.00 0.12 C ATOM 532 O6 DG A 17 1.368 -0.778 2.412 1.00 0.13 O ATOM 533 N1 DG A 17 -0.201 -0.469 4.021 1.00 0.12 N ATOM 534 C2 DG A 17 -0.585 -0.276 5.349 1.00 0.12 C ATOM 535 N2 DG A 17 -1.887 -0.161 5.610 1.00 0.12 N ATOM 536 N3 DG A 17 0.276 -0.247 6.361 1.00 0.12 N ATOM 537 C4 DG A 17 1.547 -0.444 5.956 1.00 0.12 C ATOM 0 H5' DG A 17 -0.169 -1.442 8.079 1.00 0.17 H new ATOM 0 H5'' DG A 17 1.218 -2.467 7.770 1.00 0.17 H new ATOM 0 H4' DG A 17 1.311 -1.701 10.490 1.00 0.16 H new ATOM 0 H3' DG A 17 -0.108 0.342 9.638 1.00 0.17 H new ATOM 0 H2' DG A 17 1.069 1.235 7.777 1.00 0.15 H new ATOM 0 H2'' DG A 17 2.182 1.873 8.970 1.00 0.15 H new ATOM 0 H1' DG A 17 3.754 0.439 8.231 1.00 0.13 H new ATOM 0 H8 DG A 17 4.694 -0.842 6.255 1.00 0.12 H new ATOM 0 H1 DG A 17 -0.933 -0.467 3.310 1.00 0.12 H new ATOM 0 H21 DG A 17 -2.204 -0.019 6.569 1.00 0.12 H new ATOM 0 H22 DG A 17 -2.566 -0.215 4.851 1.00 0.12 H new ATOM 549 P DG A 18 2.890 0.498 11.556 1.00 0.21 P ATOM 550 OP1 DG A 18 3.087 -0.957 11.744 1.00 0.25 O ATOM 551 OP2 DG A 18 3.072 1.408 12.708 1.00 0.29 O ATOM 552 O5' DG A 18 3.884 0.994 10.376 1.00 0.19 O ATOM 553 C5' DG A 18 5.205 0.436 10.261 1.00 0.20 C ATOM 554 C4' DG A 18 6.086 1.209 9.274 1.00 0.20 C ATOM 555 O4' DG A 18 5.591 1.039 7.930 1.00 0.19 O ATOM 556 C3' DG A 18 6.153 2.718 9.548 1.00 0.24 C ATOM 557 O3' DG A 18 7.503 3.196 9.505 1.00 0.32 O ATOM 558 C2' DG A 18 5.322 3.306 8.421 1.00 0.21 C ATOM 559 C1' DG A 18 5.576 2.318 7.299 1.00 0.17 C ATOM 560 N9 DG A 18 4.527 2.320 6.267 1.00 0.15 N ATOM 561 C8 DG A 18 3.190 2.470 6.443 1.00 0.15 C ATOM 562 N7 DG A 18 2.491 2.458 5.365 1.00 0.15 N ATOM 563 C5 DG A 18 3.428 2.284 4.363 1.00 0.14 C ATOM 564 C6 DG A 18 3.231 2.194 2.963 1.00 0.14 C ATOM 565 O6 DG A 18 2.170 2.268 2.351 1.00 0.16 O ATOM 566 N1 DG A 18 4.430 2.014 2.287 1.00 0.14 N ATOM 567 C2 DG A 18 5.672 1.935 2.903 1.00 0.14 C ATOM 568 N2 DG A 18 6.720 1.756 2.103 1.00 0.16 N ATOM 569 N3 DG A 18 5.855 2.024 4.230 1.00 0.15 N ATOM 570 C4 DG A 18 4.690 2.196 4.897 1.00 0.14 C ATOM 0 H5' DG A 18 5.130 -0.603 9.939 1.00 0.20 H new ATOM 0 H5'' DG A 18 5.681 0.432 11.242 1.00 0.20 H new ATOM 0 H4' DG A 18 7.087 0.796 9.399 1.00 0.20 H new ATOM 0 H3' DG A 18 5.787 2.991 10.538 1.00 0.24 H new ATOM 0 H2' DG A 18 4.265 3.366 8.681 1.00 0.21 H new ATOM 0 H2'' DG A 18 5.644 4.314 8.159 1.00 0.21 H new ATOM 0 HO3' DG A 18 7.514 4.160 9.681 1.00 0.32 H new ATOM 0 H1' DG A 18 6.502 2.578 6.787 1.00 0.17 H new ATOM 0 H8 DG A 18 2.745 2.591 7.420 1.00 0.15 H new ATOM 0 H1 DG A 18 4.396 1.935 1.271 1.00 0.14 H new ATOM 0 H21 DG A 18 7.658 1.690 2.498 1.00 0.16 H new ATOM 0 H22 DG A 18 6.585 1.684 1.094 1.00 0.16 H new TER 582 DG A 18