USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 160 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 69:sc= 1.1 USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.467 (180deg=-0.467) USER MOD Single : A 7 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 68:sc= 1.17 USER MOD Single : B 7 DT C7 :methyl 150:sc= -0.447 (180deg=-0.447) USER MOD Single : B 7 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.182 3.060 0.596 1.00 0.62 O ATOM 2 C5' DG A 1 -8.201 1.904 1.456 1.00 0.46 C ATOM 3 C4' DG A 1 -6.776 1.486 2.023 1.00 0.33 C ATOM 4 O4' DG A 1 -5.884 0.968 1.021 1.00 0.31 O ATOM 5 C3' DG A 1 -5.890 2.450 2.821 1.00 0.28 C ATOM 6 O3' DG A 1 -5.055 1.753 3.758 1.00 0.30 O ATOM 7 C2' DG A 1 -4.995 3.024 1.714 1.00 0.27 C ATOM 8 C1' DG A 1 -4.666 1.729 0.960 1.00 0.24 C ATOM 9 N9 DG A 1 -4.475 1.774 -0.509 1.00 0.21 N ATOM 10 C8 DG A 1 -3.543 1.111 -1.261 1.00 0.19 C ATOM 11 N7 DG A 1 -3.652 1.319 -2.541 1.00 0.22 N ATOM 12 C5 DG A 1 -4.725 2.177 -2.658 1.00 0.28 C ATOM 13 C6 DG A 1 -5.301 2.741 -3.818 1.00 0.38 C ATOM 14 O6 DG A 1 -4.952 2.578 -4.980 1.00 0.42 O ATOM 15 N1 DG A 1 -6.369 3.558 -3.514 1.00 0.49 N ATOM 16 C2 DG A 1 -6.823 3.796 -2.243 1.00 0.52 C ATOM 17 N2 DG A 1 -7.869 4.594 -2.116 1.00 0.64 N ATOM 18 N3 DG A 1 -6.286 3.267 -1.147 1.00 0.43 N ATOM 19 C4 DG A 1 -5.239 2.466 -1.425 1.00 0.30 C ATOM 0 H5' DG A 1 -8.621 1.063 0.905 1.00 0.46 H new ATOM 0 H5'' DG A 1 -8.869 2.101 2.294 1.00 0.46 H new ATOM 0 H4' DG A 1 -7.181 0.772 2.739 1.00 0.33 H new ATOM 0 H3' DG A 1 -6.465 3.175 3.398 1.00 0.28 H new ATOM 0 H2' DG A 1 -5.514 3.752 1.090 1.00 0.27 H new ATOM 0 H2'' DG A 1 -4.106 3.518 2.107 1.00 0.27 H new ATOM 0 HO5' DG A 1 -7.730 2.835 -0.244 1.00 0.62 H new ATOM 0 H1' DG A 1 -3.737 1.385 1.415 1.00 0.24 H new ATOM 0 H8 DG A 1 -2.785 0.473 -0.831 1.00 0.19 H new ATOM 0 H1 DG A 1 -6.853 4.016 -4.286 1.00 0.49 H new ATOM 0 H21 DG A 1 -8.243 4.801 -1.190 1.00 0.64 H new ATOM 0 H22 DG A 1 -8.302 5.003 -2.944 1.00 0.64 H new ATOM 32 P DG A 2 -4.542 2.426 5.123 1.00 0.38 P ATOM 33 OP1 DG A 2 -3.934 1.336 5.924 1.00 0.54 O ATOM 34 OP2 DG A 2 -5.650 3.226 5.700 1.00 0.52 O ATOM 35 O5' DG A 2 -3.355 3.431 4.632 1.00 0.29 O ATOM 36 C5' DG A 2 -1.989 2.974 4.469 1.00 0.29 C ATOM 37 C4' DG A 2 -1.129 3.732 3.347 1.00 0.29 C ATOM 38 O4' DG A 2 -1.717 3.659 2.015 1.00 0.28 O ATOM 39 C3' DG A 2 -0.859 5.269 3.526 1.00 0.33 C ATOM 40 O3' DG A 2 0.341 5.961 3.105 1.00 0.35 O ATOM 41 C2' DG A 2 -1.876 5.839 2.563 1.00 0.32 C ATOM 42 C1' DG A 2 -1.543 4.938 1.370 1.00 0.29 C ATOM 43 N9 DG A 2 -2.453 5.189 0.223 1.00 0.28 N ATOM 44 C8 DG A 2 -3.717 5.747 0.228 1.00 0.30 C ATOM 45 N7 DG A 2 -4.270 5.822 -0.934 1.00 0.31 N ATOM 46 C5 DG A 2 -3.326 5.290 -1.790 1.00 0.28 C ATOM 47 C6 DG A 2 -3.398 5.125 -3.189 1.00 0.30 C ATOM 48 O6 DG A 2 -4.287 5.432 -3.983 1.00 0.34 O ATOM 49 N1 DG A 2 -2.253 4.559 -3.658 1.00 0.28 N ATOM 50 C2 DG A 2 -1.168 4.194 -2.923 1.00 0.27 C ATOM 51 N2 DG A 2 -0.175 3.721 -3.650 1.00 0.30 N ATOM 52 N3 DG A 2 -1.066 4.331 -1.605 1.00 0.27 N ATOM 53 C4 DG A 2 -2.200 4.895 -1.102 1.00 0.27 C ATOM 0 H5' DG A 2 -2.008 1.911 4.229 1.00 0.29 H new ATOM 0 H5'' DG A 2 -1.475 3.076 5.425 1.00 0.29 H new ATOM 0 H4' DG A 2 -0.198 3.179 3.469 1.00 0.29 H new ATOM 0 H3' DG A 2 -0.843 5.397 4.608 1.00 0.33 H new ATOM 0 H2' DG A 2 -2.903 5.728 2.910 1.00 0.32 H new ATOM 0 H2'' DG A 2 -1.723 6.898 2.356 1.00 0.32 H new ATOM 0 H1' DG A 2 -0.567 5.071 0.904 1.00 0.29 H new ATOM 0 H8 DG A 2 -4.201 6.091 1.130 1.00 0.30 H new ATOM 0 H1 DG A 2 -2.203 4.391 -4.663 1.00 0.28 H new ATOM 0 H21 DG A 2 0.688 3.417 -3.199 1.00 0.30 H new ATOM 0 H22 DG A 2 -0.270 3.659 -4.664 1.00 0.30 H new ATOM 65 P DA A 3 0.713 7.417 3.746 1.00 0.40 P ATOM 66 OP1 DA A 3 -0.229 7.712 4.851 1.00 0.47 O ATOM 67 OP2 DA A 3 0.873 8.370 2.622 1.00 0.51 O ATOM 68 O5' DA A 3 2.168 7.086 4.348 1.00 0.63 O ATOM 69 C5' DA A 3 2.389 5.836 5.015 1.00 0.58 C ATOM 70 C4' DA A 3 3.481 4.969 4.269 1.00 0.52 C ATOM 71 O4' DA A 3 3.064 4.732 2.902 1.00 0.52 O ATOM 72 C3' DA A 3 4.951 5.466 4.113 1.00 0.57 C ATOM 73 O3' DA A 3 5.996 4.493 3.905 1.00 0.67 O ATOM 74 C2' DA A 3 4.894 6.159 2.774 1.00 0.57 C ATOM 75 C1' DA A 3 4.106 5.118 1.988 1.00 0.49 C ATOM 76 N9 DA A 3 3.532 5.779 0.810 1.00 0.38 N ATOM 77 C8 DA A 3 2.410 6.542 0.723 1.00 0.40 C ATOM 78 N7 DA A 3 2.192 7.039 -0.463 1.00 0.39 N ATOM 79 C5 DA A 3 3.257 6.561 -1.214 1.00 0.33 C ATOM 80 C6 DA A 3 3.629 6.716 -2.556 1.00 0.33 C ATOM 81 N6 DA A 3 2.943 7.427 -3.434 1.00 0.36 N ATOM 82 N1 DA A 3 4.740 6.102 -2.962 1.00 0.32 N ATOM 83 C2 DA A 3 5.430 5.384 -2.094 1.00 0.31 C ATOM 84 N3 DA A 3 5.193 5.161 -0.812 1.00 0.34 N ATOM 85 C4 DA A 3 4.072 5.791 -0.438 1.00 0.33 C ATOM 0 H5' DA A 3 1.453 5.279 5.067 1.00 0.58 H new ATOM 0 H5'' DA A 3 2.707 6.021 6.041 1.00 0.58 H new ATOM 0 H4' DA A 3 3.524 4.124 4.956 1.00 0.52 H new ATOM 0 H3' DA A 3 5.204 5.993 5.033 1.00 0.57 H new ATOM 0 H2' DA A 3 4.385 7.122 2.822 1.00 0.57 H new ATOM 0 H2'' DA A 3 5.883 6.341 2.354 1.00 0.57 H new ATOM 0 H1' DA A 3 4.694 4.267 1.645 1.00 0.49 H new ATOM 0 H8 DA A 3 1.756 6.721 1.563 1.00 0.40 H new ATOM 0 H61 DA A 3 3.269 7.500 -4.398 1.00 0.36 H new ATOM 0 H62 DA A 3 2.087 7.903 -3.148 1.00 0.36 H new ATOM 0 H2 DA A 3 6.317 4.910 -2.489 1.00 0.31 H new ATOM 97 P DG A 4 6.896 3.870 5.088 1.00 0.72 P ATOM 98 OP1 DG A 4 7.255 4.967 6.015 1.00 0.96 O ATOM 99 OP2 DG A 4 7.951 3.018 4.500 1.00 1.14 O ATOM 100 O5' DG A 4 5.819 2.887 5.803 1.00 0.63 O ATOM 101 C5' DG A 4 5.298 3.070 7.133 1.00 0.52 C ATOM 102 C4' DG A 4 4.277 2.007 7.592 1.00 0.46 C ATOM 103 O4' DG A 4 3.083 2.002 6.781 1.00 0.44 O ATOM 104 C3' DG A 4 4.743 0.555 7.681 1.00 0.47 C ATOM 105 O3' DG A 4 4.258 -0.292 8.735 1.00 0.57 O ATOM 106 C2' DG A 4 4.161 0.052 6.381 1.00 0.42 C ATOM 107 C1' DG A 4 2.751 0.647 6.452 1.00 0.36 C ATOM 108 N9 DG A 4 2.050 0.625 5.143 1.00 0.35 N ATOM 109 C8 DG A 4 2.476 1.149 3.948 1.00 0.41 C ATOM 110 N7 DG A 4 1.653 0.974 2.956 1.00 0.45 N ATOM 111 C5 DG A 4 0.599 0.280 3.537 1.00 0.38 C ATOM 112 C6 DG A 4 -0.593 -0.187 2.945 1.00 0.39 C ATOM 113 O6 DG A 4 -0.959 -0.085 1.778 1.00 0.50 O ATOM 114 N1 DG A 4 -1.392 -0.830 3.857 1.00 0.33 N ATOM 115 C2 DG A 4 -1.099 -1.013 5.180 1.00 0.35 C ATOM 116 N2 DG A 4 -2.004 -1.653 5.904 1.00 0.42 N ATOM 117 N3 DG A 4 0.018 -0.586 5.764 1.00 0.36 N ATOM 118 C4 DG A 4 0.824 0.058 4.875 1.00 0.34 C ATOM 0 H5' DG A 4 4.827 4.051 7.189 1.00 0.52 H new ATOM 0 H5'' DG A 4 6.132 3.076 7.835 1.00 0.52 H new ATOM 0 H4' DG A 4 4.100 2.345 8.613 1.00 0.46 H new ATOM 0 H3' DG A 4 5.815 0.526 7.874 1.00 0.47 H new ATOM 0 H2' DG A 4 4.717 0.408 5.514 1.00 0.42 H new ATOM 0 H2'' DG A 4 4.149 -1.037 6.327 1.00 0.42 H new ATOM 0 H1' DG A 4 2.086 0.117 7.134 1.00 0.36 H new ATOM 0 H8 DG A 4 3.419 1.665 3.840 1.00 0.41 H new ATOM 0 H1 DG A 4 -2.279 -1.203 3.519 1.00 0.33 H new ATOM 0 H21 DG A 4 -1.839 -1.818 6.897 1.00 0.42 H new ATOM 0 H22 DG A 4 -2.866 -1.981 5.469 1.00 0.42 H new ATOM 130 P DG A 5 5.162 -1.552 9.189 1.00 0.76 P ATOM 131 OP1 DG A 5 5.938 -1.118 10.373 1.00 1.16 O ATOM 132 OP2 DG A 5 5.863 -2.079 7.995 1.00 1.21 O ATOM 133 O5' DG A 5 4.063 -2.627 9.659 1.00 0.58 O ATOM 134 C5' DG A 5 2.716 -2.711 9.146 1.00 0.46 C ATOM 135 C4' DG A 5 2.526 -3.571 7.836 1.00 0.37 C ATOM 136 O4' DG A 5 2.855 -2.928 6.571 1.00 0.39 O ATOM 137 C3' DG A 5 3.190 -4.956 7.744 1.00 0.39 C ATOM 138 O3' DG A 5 2.383 -6.076 7.278 1.00 0.41 O ATOM 139 C2' DG A 5 4.250 -4.685 6.668 1.00 0.40 C ATOM 140 C1' DG A 5 3.455 -3.870 5.645 1.00 0.33 C ATOM 141 N9 DG A 5 4.284 -3.207 4.580 1.00 0.31 N ATOM 142 C8 DG A 5 5.622 -2.873 4.603 1.00 0.34 C ATOM 143 N7 DG A 5 6.053 -2.297 3.518 1.00 0.35 N ATOM 144 C5 DG A 5 4.939 -2.238 2.693 1.00 0.32 C ATOM 145 C6 DG A 5 4.816 -1.713 1.369 1.00 0.36 C ATOM 146 O6 DG A 5 5.664 -1.180 0.658 1.00 0.44 O ATOM 147 N1 DG A 5 3.533 -1.854 0.897 1.00 0.34 N ATOM 148 C2 DG A 5 2.513 -2.420 1.602 1.00 0.30 C ATOM 149 N2 DG A 5 1.377 -2.492 0.946 1.00 0.35 N ATOM 150 N3 DG A 5 2.592 -2.916 2.840 1.00 0.29 N ATOM 151 C4 DG A 5 3.849 -2.791 3.327 1.00 0.29 C ATOM 0 H5' DG A 5 2.360 -1.700 8.948 1.00 0.46 H new ATOM 0 H5'' DG A 5 2.077 -3.126 9.925 1.00 0.46 H new ATOM 0 H4' DG A 5 1.451 -3.690 7.972 1.00 0.37 H new ATOM 0 H3' DG A 5 3.495 -5.275 8.740 1.00 0.39 H new ATOM 0 H2' DG A 5 5.100 -4.129 7.062 1.00 0.40 H new ATOM 0 H2'' DG A 5 4.643 -5.607 6.240 1.00 0.40 H new ATOM 0 H1' DG A 5 2.772 -4.449 5.023 1.00 0.33 H new ATOM 0 H8 DG A 5 6.260 -3.073 5.451 1.00 0.34 H new ATOM 0 H1 DG A 5 3.331 -1.513 -0.043 1.00 0.34 H new ATOM 0 H21 DG A 5 0.556 -2.901 1.392 1.00 0.35 H new ATOM 0 H22 DG A 5 1.316 -2.139 -0.009 1.00 0.35 H new ATOM 163 P DA A 6 1.424 -6.953 8.261 1.00 0.44 P ATOM 164 OP1 DA A 6 2.199 -7.258 9.484 1.00 0.57 O ATOM 165 OP2 DA A 6 0.810 -8.061 7.499 1.00 0.57 O ATOM 166 O5' DA A 6 0.315 -5.853 8.630 1.00 0.49 O ATOM 167 C5' DA A 6 -0.939 -6.066 9.286 1.00 0.49 C ATOM 168 C4' DA A 6 -2.032 -6.701 8.355 1.00 0.43 C ATOM 169 O4' DA A 6 -1.951 -6.133 7.019 1.00 0.40 O ATOM 170 C3' DA A 6 -1.946 -8.197 8.055 1.00 0.45 C ATOM 171 O3' DA A 6 -2.237 -9.121 9.120 1.00 0.73 O ATOM 172 C2' DA A 6 -2.851 -8.323 6.823 1.00 0.38 C ATOM 173 C1' DA A 6 -2.384 -7.093 6.023 1.00 0.33 C ATOM 174 N9 DA A 6 -1.430 -7.307 4.884 1.00 0.28 N ATOM 175 C8 DA A 6 -0.091 -7.028 4.792 1.00 0.31 C ATOM 176 N7 DA A 6 0.448 -7.328 3.635 1.00 0.33 N ATOM 177 C5 DA A 6 -0.610 -7.844 2.896 1.00 0.30 C ATOM 178 C6 DA A 6 -0.715 -8.349 1.579 1.00 0.31 C ATOM 179 N6 DA A 6 0.285 -8.418 0.701 1.00 0.34 N ATOM 180 N1 DA A 6 -1.922 -8.770 1.190 1.00 0.33 N ATOM 181 C2 DA A 6 -2.949 -8.702 2.025 1.00 0.33 C ATOM 182 N3 DA A 6 -2.976 -8.258 3.271 1.00 0.31 N ATOM 183 C4 DA A 6 -1.753 -7.836 3.650 1.00 0.28 C ATOM 0 H5' DA A 6 -1.307 -5.114 9.668 1.00 0.49 H new ATOM 0 H5'' DA A 6 -0.784 -6.716 10.147 1.00 0.49 H new ATOM 0 H4' DA A 6 -2.931 -6.496 8.936 1.00 0.43 H new ATOM 0 H3' DA A 6 -0.914 -8.507 7.893 1.00 0.45 H new ATOM 0 H2' DA A 6 -2.692 -9.256 6.283 1.00 0.38 H new ATOM 0 H2'' DA A 6 -3.910 -8.278 7.077 1.00 0.38 H new ATOM 0 H1' DA A 6 -3.220 -6.723 5.430 1.00 0.33 H new ATOM 0 H8 DA A 6 0.473 -6.597 5.605 1.00 0.31 H new ATOM 0 H61 DA A 6 0.120 -8.798 -0.231 1.00 0.34 H new ATOM 0 H62 DA A 6 1.215 -8.091 0.961 1.00 0.34 H new ATOM 0 H2 DA A 6 -3.892 -9.057 1.635 1.00 0.33 H new ATOM 195 P DT A 7 -3.650 -9.833 9.452 1.00 0.60 P ATOM 196 OP1 DT A 7 -4.745 -8.862 9.229 1.00 0.89 O ATOM 197 OP2 DT A 7 -3.521 -10.524 10.754 1.00 0.86 O ATOM 198 O5' DT A 7 -3.688 -10.959 8.282 1.00 0.64 O ATOM 199 C5' DT A 7 -4.848 -11.248 7.484 1.00 0.66 C ATOM 200 C4' DT A 7 -4.531 -11.904 6.134 1.00 0.66 C ATOM 201 O4' DT A 7 -3.621 -11.159 5.306 1.00 0.60 O ATOM 202 C3' DT A 7 -3.951 -13.288 6.162 1.00 0.67 C ATOM 203 O3' DT A 7 -4.960 -14.263 6.406 1.00 0.77 O ATOM 204 C2' DT A 7 -3.263 -13.464 4.788 1.00 0.67 C ATOM 205 C1' DT A 7 -3.026 -12.016 4.289 1.00 0.61 C ATOM 206 N1 DT A 7 -1.586 -11.660 4.210 1.00 0.52 N ATOM 207 C2 DT A 7 -0.961 -11.552 2.972 1.00 0.59 C ATOM 208 O2 DT A 7 -1.532 -11.747 1.905 1.00 0.70 O ATOM 209 N3 DT A 7 0.375 -11.214 3.011 1.00 0.62 N ATOM 210 C4 DT A 7 1.130 -10.974 4.146 1.00 0.58 C ATOM 211 O4 DT A 7 2.317 -10.686 4.030 1.00 0.70 O ATOM 212 C5 DT A 7 0.399 -11.107 5.391 1.00 0.47 C ATOM 213 C7 DT A 7 1.067 -10.865 6.736 1.00 0.48 C ATOM 214 C6 DT A 7 -0.903 -11.439 5.373 1.00 0.45 C ATOM 0 H5' DT A 7 -5.394 -10.321 7.306 1.00 0.66 H new ATOM 0 H5'' DT A 7 -5.510 -11.905 8.049 1.00 0.66 H new ATOM 0 H4' DT A 7 -5.544 -11.933 5.731 1.00 0.66 H new ATOM 0 H3' DT A 7 -3.235 -13.424 6.972 1.00 0.67 H new ATOM 0 H2' DT A 7 -2.325 -14.011 4.880 1.00 0.67 H new ATOM 0 H2'' DT A 7 -3.893 -14.025 4.097 1.00 0.67 H new ATOM 0 HO3' DT A 7 -4.556 -15.156 6.418 1.00 0.77 H new ATOM 0 H1' DT A 7 -3.448 -11.906 3.290 1.00 0.61 H new ATOM 0 H3 DT A 7 0.855 -11.133 2.115 1.00 0.62 H new ATOM 0 H71 DT A 7 0.329 -10.494 7.447 1.00 0.48 H new ATOM 0 H72 DT A 7 1.489 -11.799 7.106 1.00 0.48 H new ATOM 0 H73 DT A 7 1.862 -10.128 6.620 1.00 0.48 H new ATOM 0 H6 DT A 7 -1.429 -11.535 6.312 1.00 0.45 H new TER 228 DT A 7 ATOM 229 O5' DG B 1 -7.995 -3.432 -0.510 1.00 0.62 O ATOM 230 C5' DG B 1 -8.051 -2.276 -1.372 1.00 0.48 C ATOM 231 C4' DG B 1 -6.633 -1.790 -1.902 1.00 0.32 C ATOM 232 O4' DG B 1 -5.797 -1.225 -0.877 1.00 0.33 O ATOM 233 C3' DG B 1 -5.678 -2.707 -2.675 1.00 0.29 C ATOM 234 O3' DG B 1 -4.857 -1.967 -3.589 1.00 0.31 O ATOM 235 C2' DG B 1 -4.784 -3.232 -1.542 1.00 0.27 C ATOM 236 C1' DG B 1 -4.543 -1.924 -0.782 1.00 0.24 C ATOM 237 N9 DG B 1 -4.388 -1.958 0.690 1.00 0.23 N ATOM 238 C8 DG B 1 -3.513 -1.249 1.467 1.00 0.21 C ATOM 239 N7 DG B 1 -3.646 -1.463 2.743 1.00 0.22 N ATOM 240 C5 DG B 1 -4.675 -2.374 2.832 1.00 0.28 C ATOM 241 C6 DG B 1 -5.251 -2.969 3.977 1.00 0.39 C ATOM 242 O6 DG B 1 -4.942 -2.788 5.148 1.00 0.43 O ATOM 243 N1 DG B 1 -6.268 -3.840 3.644 1.00 0.50 N ATOM 244 C2 DG B 1 -6.677 -4.100 2.364 1.00 0.52 C ATOM 245 N2 DG B 1 -7.676 -4.951 2.212 1.00 0.65 N ATOM 246 N3 DG B 1 -6.138 -3.544 1.282 1.00 0.44 N ATOM 247 C4 DG B 1 -5.141 -2.690 1.586 1.00 0.31 C ATOM 0 H5' DG B 1 -8.525 -1.456 -0.832 1.00 0.48 H new ATOM 0 H5'' DG B 1 -8.687 -2.505 -2.227 1.00 0.48 H new ATOM 0 H4' DG B 1 -7.054 -1.100 -2.633 1.00 0.32 H new ATOM 0 H3' DG B 1 -6.197 -3.461 -3.266 1.00 0.29 H new ATOM 0 H2' DG B 1 -5.281 -3.986 -0.931 1.00 0.27 H new ATOM 0 H2'' DG B 1 -3.860 -3.679 -1.910 1.00 0.27 H new ATOM 0 HO5' DG B 1 -7.563 -3.189 0.336 1.00 0.62 H new ATOM 0 H1' DG B 1 -3.621 -1.534 -1.213 1.00 0.24 H new ATOM 0 H8 DG B 1 -2.778 -0.572 1.057 1.00 0.21 H new ATOM 0 H1 DG B 1 -6.748 -4.323 4.404 1.00 0.50 H new ATOM 0 H21 DG B 1 -8.016 -5.177 1.277 1.00 0.65 H new ATOM 0 H22 DG B 1 -8.107 -5.382 3.029 1.00 0.65 H new ATOM 260 P DG B 2 -4.274 -2.611 -4.941 1.00 0.37 P ATOM 261 OP1 DG B 2 -3.702 -1.492 -5.728 1.00 0.54 O ATOM 262 OP2 DG B 2 -5.324 -3.466 -5.547 1.00 0.53 O ATOM 263 O5' DG B 2 -3.051 -3.555 -4.418 1.00 0.29 O ATOM 264 C5' DG B 2 -1.714 -3.030 -4.221 1.00 0.28 C ATOM 265 C4' DG B 2 -0.846 -3.743 -3.075 1.00 0.28 C ATOM 266 O4' DG B 2 -1.474 -3.700 -1.759 1.00 0.29 O ATOM 267 C3' DG B 2 -0.495 -5.263 -3.243 1.00 0.33 C ATOM 268 O3' DG B 2 0.729 -5.894 -2.792 1.00 0.35 O ATOM 269 C2' DG B 2 -1.504 -5.884 -2.303 1.00 0.31 C ATOM 270 C1' DG B 2 -1.249 -4.966 -1.106 1.00 0.28 C ATOM 271 N9 DG B 2 -2.177 -5.265 0.015 1.00 0.27 N ATOM 272 C8 DG B 2 -3.411 -5.886 -0.023 1.00 0.28 C ATOM 273 N7 DG B 2 -3.989 -5.989 1.123 1.00 0.30 N ATOM 274 C5 DG B 2 -3.098 -5.411 2.004 1.00 0.28 C ATOM 275 C6 DG B 2 -3.213 -5.252 3.400 1.00 0.29 C ATOM 276 O6 DG B 2 -4.108 -5.604 4.170 1.00 0.35 O ATOM 277 N1 DG B 2 -2.112 -4.629 3.900 1.00 0.27 N ATOM 278 C2 DG B 2 -1.029 -4.206 3.193 1.00 0.26 C ATOM 279 N2 DG B 2 -0.083 -3.685 3.949 1.00 0.27 N ATOM 280 N3 DG B 2 -0.884 -4.338 1.879 1.00 0.26 N ATOM 281 C4 DG B 2 -1.974 -4.959 1.347 1.00 0.26 C ATOM 0 H5' DG B 2 -1.792 -1.969 -3.984 1.00 0.28 H new ATOM 0 H5'' DG B 2 -1.171 -3.107 -5.163 1.00 0.28 H new ATOM 0 H4' DG B 2 0.059 -3.144 -3.173 1.00 0.28 H new ATOM 0 H3' DG B 2 -0.447 -5.391 -4.324 1.00 0.33 H new ATOM 0 H2' DG B 2 -2.527 -5.828 -2.675 1.00 0.31 H new ATOM 0 H2'' DG B 2 -1.300 -6.933 -2.089 1.00 0.31 H new ATOM 0 H1' DG B 2 -0.279 -5.044 -0.614 1.00 0.28 H new ATOM 0 H8 DG B 2 -3.853 -6.254 -0.937 1.00 0.28 H new ATOM 0 H1 DG B 2 -2.097 -4.462 4.906 1.00 0.27 H new ATOM 0 H21 DG B 2 0.775 -3.335 3.523 1.00 0.27 H new ATOM 0 H22 DG B 2 -0.209 -3.632 4.960 1.00 0.27 H new ATOM 293 P DA B 3 1.192 -7.327 -3.422 1.00 0.40 P ATOM 294 OP1 DA B 3 0.295 -7.670 -4.551 1.00 0.48 O ATOM 295 OP2 DA B 3 1.369 -8.272 -2.293 1.00 0.52 O ATOM 296 O5' DA B 3 2.643 -6.925 -3.985 1.00 0.63 O ATOM 297 C5' DA B 3 2.818 -5.666 -4.651 1.00 0.57 C ATOM 298 C4' DA B 3 3.841 -4.742 -3.876 1.00 0.52 C ATOM 299 O4' DA B 3 3.378 -4.529 -2.520 1.00 0.53 O ATOM 300 C3' DA B 3 5.331 -5.164 -3.681 1.00 0.57 C ATOM 301 O3' DA B 3 6.319 -4.138 -3.443 1.00 0.68 O ATOM 302 C2' DA B 3 5.270 -5.864 -2.346 1.00 0.57 C ATOM 303 C1' DA B 3 4.414 -4.864 -1.579 1.00 0.48 C ATOM 304 N9 DA B 3 3.843 -5.552 -0.413 1.00 0.38 N ATOM 305 C8 DA B 3 2.759 -6.371 -0.353 1.00 0.38 C ATOM 306 N7 DA B 3 2.536 -6.879 0.826 1.00 0.36 N ATOM 307 C5 DA B 3 3.556 -6.346 1.603 1.00 0.32 C ATOM 308 C6 DA B 3 3.900 -6.484 2.954 1.00 0.32 C ATOM 309 N6 DA B 3 3.226 -7.229 3.813 1.00 0.35 N ATOM 310 N1 DA B 3 4.967 -5.814 3.388 1.00 0.32 N ATOM 311 C2 DA B 3 5.643 -5.060 2.538 1.00 0.32 C ATOM 312 N3 DA B 3 5.429 -4.851 1.250 1.00 0.35 N ATOM 313 C4 DA B 3 4.351 -5.537 0.848 1.00 0.33 C ATOM 0 H5' DA B 3 1.857 -5.159 -4.733 1.00 0.57 H new ATOM 0 H5'' DA B 3 3.176 -5.836 -5.666 1.00 0.57 H new ATOM 0 H4' DA B 3 3.855 -3.894 -4.560 1.00 0.52 H new ATOM 0 H3' DA B 3 5.638 -5.674 -4.594 1.00 0.57 H new ATOM 0 H2' DA B 3 4.808 -6.849 -2.410 1.00 0.57 H new ATOM 0 H2'' DA B 3 6.255 -6.002 -1.900 1.00 0.57 H new ATOM 0 H1' DA B 3 4.952 -3.986 -1.221 1.00 0.48 H new ATOM 0 H8 DA B 3 2.136 -6.582 -1.210 1.00 0.38 H new ATOM 0 H61 DA B 3 3.529 -7.287 4.785 1.00 0.35 H new ATOM 0 H62 DA B 3 2.403 -7.746 3.504 1.00 0.35 H new ATOM 0 H2 DA B 3 6.492 -4.540 2.956 1.00 0.32 H new ATOM 325 P DG B 4 7.220 -3.470 -4.601 1.00 0.72 P ATOM 326 OP1 DG B 4 7.657 -4.547 -5.519 1.00 0.97 O ATOM 327 OP2 DG B 4 8.214 -2.567 -3.986 1.00 1.14 O ATOM 328 O5' DG B 4 6.113 -2.542 -5.344 1.00 0.64 O ATOM 329 C5' DG B 4 5.635 -2.753 -6.686 1.00 0.52 C ATOM 330 C4' DG B 4 4.575 -1.744 -7.174 1.00 0.46 C ATOM 331 O4' DG B 4 3.360 -1.798 -6.398 1.00 0.42 O ATOM 332 C3' DG B 4 4.970 -0.270 -7.257 1.00 0.48 C ATOM 333 O3' DG B 4 4.468 0.551 -8.322 1.00 0.58 O ATOM 334 C2' DG B 4 4.330 0.205 -5.972 1.00 0.43 C ATOM 335 C1' DG B 4 2.954 -0.461 -6.079 1.00 0.35 C ATOM 336 N9 DG B 4 2.216 -0.476 -4.789 1.00 0.33 N ATOM 337 C8 DG B 4 2.638 -0.977 -3.584 1.00 0.40 C ATOM 338 N7 DG B 4 1.782 -0.844 -2.613 1.00 0.45 N ATOM 339 C5 DG B 4 0.706 -0.206 -3.220 1.00 0.37 C ATOM 340 C6 DG B 4 -0.523 0.199 -2.660 1.00 0.39 C ATOM 341 O6 DG B 4 -0.914 0.081 -1.504 1.00 0.50 O ATOM 342 N1 DG B 4 -1.329 0.799 -3.595 1.00 0.34 N ATOM 343 C2 DG B 4 -1.013 0.997 -4.909 1.00 0.36 C ATOM 344 N2 DG B 4 -1.929 1.592 -5.655 1.00 0.44 N ATOM 345 N3 DG B 4 0.141 0.629 -5.465 1.00 0.35 N ATOM 346 C4 DG B 4 0.956 0.028 -4.554 1.00 0.33 C ATOM 0 H5' DG B 4 5.215 -3.757 -6.751 1.00 0.52 H new ATOM 0 H5'' DG B 4 6.486 -2.719 -7.367 1.00 0.52 H new ATOM 0 H4' DG B 4 4.443 -2.093 -8.198 1.00 0.46 H new ATOM 0 H3' DG B 4 6.044 -0.188 -7.426 1.00 0.48 H new ATOM 0 H2' DG B 4 4.881 -0.122 -5.090 1.00 0.43 H new ATOM 0 H2'' DG B 4 4.261 1.292 -5.921 1.00 0.43 H new ATOM 0 H1' DG B 4 2.283 0.037 -6.779 1.00 0.35 H new ATOM 0 H8 DG B 4 3.603 -1.444 -3.452 1.00 0.40 H new ATOM 0 H1 DG B 4 -2.243 1.125 -3.281 1.00 0.34 H new ATOM 0 H21 DG B 4 -1.747 1.766 -6.644 1.00 0.44 H new ATOM 0 H22 DG B 4 -2.817 1.877 -5.242 1.00 0.44 H new ATOM 358 P DG B 5 5.319 1.857 -8.752 1.00 0.75 P ATOM 359 OP1 DG B 5 6.147 1.466 -9.917 1.00 1.16 O ATOM 360 OP2 DG B 5 5.961 2.419 -7.542 1.00 1.20 O ATOM 361 O5' DG B 5 4.181 2.874 -9.252 1.00 0.58 O ATOM 362 C5' DG B 5 2.819 2.885 -8.775 1.00 0.45 C ATOM 363 C4' DG B 5 2.547 3.734 -7.472 1.00 0.40 C ATOM 364 O4' DG B 5 2.878 3.112 -6.197 1.00 0.40 O ATOM 365 C3' DG B 5 3.134 5.152 -7.368 1.00 0.40 C ATOM 366 O3' DG B 5 2.262 6.231 -6.923 1.00 0.42 O ATOM 367 C2' DG B 5 4.183 4.936 -6.268 1.00 0.41 C ATOM 368 C1' DG B 5 3.406 4.084 -5.261 1.00 0.33 C ATOM 369 N9 DG B 5 4.238 3.465 -4.171 1.00 0.31 N ATOM 370 C8 DG B 5 5.591 3.198 -4.157 1.00 0.34 C ATOM 371 N7 DG B 5 6.021 2.643 -3.062 1.00 0.35 N ATOM 372 C5 DG B 5 4.891 2.528 -2.266 1.00 0.33 C ATOM 373 C6 DG B 5 4.759 1.996 -0.945 1.00 0.38 C ATOM 374 O6 DG B 5 5.614 1.507 -0.212 1.00 0.47 O ATOM 375 N1 DG B 5 3.460 2.072 -0.509 1.00 0.35 N ATOM 376 C2 DG B 5 2.431 2.587 -1.240 1.00 0.32 C ATOM 377 N2 DG B 5 1.277 2.602 -0.617 1.00 0.36 N ATOM 378 N3 DG B 5 2.518 3.088 -2.476 1.00 0.30 N ATOM 379 C4 DG B 5 3.791 3.027 -2.929 1.00 0.30 C ATOM 0 H5' DG B 5 2.514 1.856 -8.584 1.00 0.45 H new ATOM 0 H5'' DG B 5 2.179 3.265 -9.572 1.00 0.45 H new ATOM 0 H4' DG B 5 1.471 3.793 -7.634 1.00 0.40 H new ATOM 0 H3' DG B 5 3.442 5.486 -8.359 1.00 0.40 H new ATOM 0 H2' DG B 5 5.068 4.422 -6.642 1.00 0.41 H new ATOM 0 H2'' DG B 5 4.520 5.877 -5.834 1.00 0.41 H new ATOM 0 H1' DG B 5 2.681 4.631 -4.658 1.00 0.33 H new ATOM 0 H8 DG B 5 6.241 3.431 -4.988 1.00 0.34 H new ATOM 0 H1 DG B 5 3.250 1.719 0.425 1.00 0.35 H new ATOM 0 H21 DG B 5 0.449 2.970 -1.086 1.00 0.36 H new ATOM 0 H22 DG B 5 1.207 2.246 0.336 1.00 0.36 H new ATOM 391 P DA B 6 1.287 7.061 -7.930 1.00 0.44 P ATOM 392 OP1 DA B 6 2.080 7.406 -9.131 1.00 0.58 O ATOM 393 OP2 DA B 6 0.600 8.135 -7.183 1.00 0.57 O ATOM 394 O5' DA B 6 0.244 5.906 -8.328 1.00 0.48 O ATOM 395 C5' DA B 6 -1.001 6.056 -9.017 1.00 0.47 C ATOM 396 C4' DA B 6 -2.148 6.631 -8.114 1.00 0.44 C ATOM 397 O4' DA B 6 -2.067 6.065 -6.777 1.00 0.38 O ATOM 398 C3' DA B 6 -2.141 8.128 -7.814 1.00 0.46 C ATOM 399 O3' DA B 6 -2.454 9.038 -8.886 1.00 0.74 O ATOM 400 C2' DA B 6 -3.072 8.206 -6.603 1.00 0.39 C ATOM 401 C1' DA B 6 -2.574 7.001 -5.792 1.00 0.32 C ATOM 402 N9 DA B 6 -1.666 7.266 -4.629 1.00 0.30 N ATOM 403 C8 DA B 6 -0.319 7.055 -4.498 1.00 0.33 C ATOM 404 N7 DA B 6 0.170 7.381 -3.327 1.00 0.34 N ATOM 405 C5 DA B 6 -0.932 7.843 -2.619 1.00 0.30 C ATOM 406 C6 DA B 6 -1.098 8.342 -1.307 1.00 0.31 C ATOM 407 N6 DA B 6 -0.127 8.461 -0.401 1.00 0.31 N ATOM 408 N1 DA B 6 -2.333 8.702 -0.952 1.00 0.34 N ATOM 409 C2 DA B 6 -3.333 8.583 -1.813 1.00 0.34 C ATOM 410 N3 DA B 6 -3.305 8.137 -3.060 1.00 0.32 N ATOM 411 C4 DA B 6 -2.052 7.777 -3.404 1.00 0.29 C ATOM 0 H5' DA B 6 -1.309 5.087 -9.410 1.00 0.47 H new ATOM 0 H5'' DA B 6 -0.857 6.716 -9.873 1.00 0.47 H new ATOM 0 H4' DA B 6 -3.024 6.382 -8.712 1.00 0.44 H new ATOM 0 H3' DA B 6 -1.129 8.491 -7.633 1.00 0.46 H new ATOM 0 H2' DA B 6 -2.967 9.144 -6.059 1.00 0.39 H new ATOM 0 H2'' DA B 6 -4.122 8.114 -6.880 1.00 0.39 H new ATOM 0 H1' DA B 6 -3.405 6.584 -5.223 1.00 0.32 H new ATOM 0 H8 DA B 6 0.290 6.653 -5.294 1.00 0.33 H new ATOM 0 H61 DA B 6 -0.337 8.833 0.525 1.00 0.31 H new ATOM 0 H62 DA B 6 0.825 8.180 -0.634 1.00 0.31 H new ATOM 0 H2 DA B 6 -4.302 8.891 -1.449 1.00 0.34 H new ATOM 423 P DT B 7 -3.892 9.678 -9.256 1.00 0.59 P ATOM 424 OP1 DT B 7 -4.942 8.654 -9.062 1.00 0.90 O ATOM 425 OP2 DT B 7 -3.764 10.375 -10.556 1.00 0.86 O ATOM 426 O5' DT B 7 -4.018 10.797 -8.090 1.00 0.66 O ATOM 427 C5' DT B 7 -5.215 11.031 -7.330 1.00 0.68 C ATOM 428 C4' DT B 7 -4.966 11.727 -5.971 1.00 0.66 C ATOM 429 O4' DT B 7 -4.088 11.007 -5.081 1.00 0.64 O ATOM 430 C3' DT B 7 -4.437 13.113 -5.960 1.00 0.66 C ATOM 431 O3' DT B 7 -5.473 14.017 -6.253 1.00 0.78 O ATOM 432 C2' DT B 7 -3.810 13.332 -4.567 1.00 0.64 C ATOM 433 C1' DT B 7 -3.520 11.891 -4.075 1.00 0.61 C ATOM 434 N1 DT B 7 -2.066 11.605 -3.965 1.00 0.52 N ATOM 435 C2 DT B 7 -1.468 11.530 -2.712 1.00 0.59 C ATOM 436 O2 DT B 7 -2.075 11.691 -1.660 1.00 0.70 O ATOM 437 N3 DT B 7 -0.117 11.259 -2.713 1.00 0.62 N ATOM 438 C4 DT B 7 0.679 11.061 -3.825 1.00 0.58 C ATOM 439 O4 DT B 7 1.875 10.834 -3.679 1.00 0.71 O ATOM 440 C5 DT B 7 -0.026 11.156 -5.090 1.00 0.48 C ATOM 441 C7 DT B 7 0.692 10.950 -6.414 1.00 0.50 C ATOM 442 C6 DT B 7 -1.343 11.423 -5.110 1.00 0.46 C ATOM 0 H5' DT B 7 -5.714 10.078 -7.154 1.00 0.68 H new ATOM 0 H5'' DT B 7 -5.896 11.643 -7.922 1.00 0.68 H new ATOM 0 H4' DT B 7 -6.005 11.746 -5.643 1.00 0.66 H new ATOM 0 H3' DT B 7 -3.675 13.279 -6.722 1.00 0.66 H new ATOM 0 H2' DT B 7 -2.899 13.928 -4.625 1.00 0.64 H new ATOM 0 H2'' DT B 7 -4.492 13.856 -3.897 1.00 0.64 H new ATOM 0 HO3' DT B 7 -5.121 14.932 -6.243 1.00 0.78 H new ATOM 0 H1' DT B 7 -3.946 11.753 -3.081 1.00 0.61 H new ATOM 0 H3 DT B 7 0.341 11.199 -1.803 1.00 0.62 H new ATOM 0 H71 DT B 7 -0.004 10.540 -7.146 1.00 0.50 H new ATOM 0 H72 DT B 7 1.075 11.905 -6.773 1.00 0.50 H new ATOM 0 H73 DT B 7 1.521 10.256 -6.274 1.00 0.50 H new ATOM 0 H6 DT B 7 -1.847 11.496 -6.063 1.00 0.46 H new TER 456 DT B 7