USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 173 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 84:sc= 0.841 USER MOD Single : A 3 DT C7 :methyl 150:sc=-0.00437 (180deg=-0.00437) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl -30:sc= 0 (180deg=-1.7!) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.795 (180deg=-3.15!) USER MOD Single : A 12 DT C7 :methyl 150:sc= -1.3 (180deg=-1.3) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.174 (180deg=-1.83) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.421 -2.030 -9.582 1.00 0.37 O ATOM 2 C5' DG A 1 6.011 -0.959 -10.437 1.00 0.35 C ATOM 3 C4' DG A 1 6.815 -0.898 -11.728 1.00 0.26 C ATOM 4 O4' DG A 1 8.180 -0.690 -11.331 1.00 0.28 O ATOM 5 C3' DG A 1 6.782 -2.161 -12.636 1.00 0.25 C ATOM 6 O3' DG A 1 6.968 -1.819 -14.016 1.00 0.25 O ATOM 7 C2' DG A 1 7.990 -2.810 -12.034 1.00 0.28 C ATOM 8 C1' DG A 1 9.003 -1.715 -11.886 1.00 0.21 C ATOM 9 N9 DG A 1 10.165 -2.036 -11.033 1.00 0.23 N ATOM 10 C8 DG A 1 11.448 -2.330 -11.407 1.00 0.29 C ATOM 11 N7 DG A 1 12.237 -2.611 -10.420 1.00 0.30 N ATOM 12 C5 DG A 1 11.434 -2.494 -9.295 1.00 0.25 C ATOM 13 C6 DG A 1 11.756 -2.687 -7.928 1.00 0.26 C ATOM 14 O6 DG A 1 12.833 -3.020 -7.469 1.00 0.31 O ATOM 15 N1 DG A 1 10.665 -2.466 -7.105 1.00 0.21 N ATOM 16 C2 DG A 1 9.411 -2.109 -7.562 1.00 0.21 C ATOM 17 N2 DG A 1 8.440 -1.890 -6.694 1.00 0.24 N ATOM 18 N3 DG A 1 9.100 -1.934 -8.836 1.00 0.23 N ATOM 19 C4 DG A 1 10.160 -2.140 -9.655 1.00 0.23 C ATOM 0 H5' DG A 1 6.115 -0.014 -9.904 1.00 0.35 H new ATOM 0 H5'' DG A 1 4.954 -1.075 -10.677 1.00 0.35 H new ATOM 0 H4' DG A 1 6.368 -0.109 -12.332 1.00 0.26 H new ATOM 0 H3' DG A 1 5.866 -2.751 -12.658 1.00 0.25 H new ATOM 0 H2' DG A 1 7.754 -3.259 -11.069 1.00 0.28 H new ATOM 0 H2'' DG A 1 8.366 -3.608 -12.674 1.00 0.28 H new ATOM 0 HO5' DG A 1 7.188 -1.743 -9.043 1.00 0.37 H new ATOM 0 H1' DG A 1 9.505 -1.468 -12.821 1.00 0.21 H new ATOM 0 H8 DG A 1 11.774 -2.328 -12.437 1.00 0.29 H new ATOM 0 H1 DG A 1 10.795 -2.573 -6.099 1.00 0.21 H new ATOM 0 H21 DG A 1 7.511 -1.626 -7.023 1.00 0.24 H new ATOM 0 H22 DG A 1 8.619 -1.985 -5.694 1.00 0.24 H new ATOM 32 P DG A 2 6.909 -2.830 -15.267 1.00 0.25 P ATOM 33 OP1 DG A 2 7.309 -2.096 -16.481 1.00 0.27 O ATOM 34 OP2 DG A 2 5.636 -3.581 -15.267 1.00 0.35 O ATOM 35 O5' DG A 2 8.085 -3.883 -14.889 1.00 0.29 O ATOM 36 C5' DG A 2 9.485 -3.732 -15.172 1.00 0.25 C ATOM 37 C4' DG A 2 10.385 -4.691 -14.366 1.00 0.21 C ATOM 38 O4' DG A 2 10.380 -4.478 -12.928 1.00 0.22 O ATOM 39 C3' DG A 2 10.077 -6.182 -14.555 1.00 0.31 C ATOM 40 O3' DG A 2 11.229 -6.938 -14.980 1.00 0.38 O ATOM 41 C2' DG A 2 9.777 -6.550 -13.120 1.00 0.29 C ATOM 42 C1' DG A 2 10.684 -5.717 -12.311 1.00 0.21 C ATOM 43 N9 DG A 2 10.635 -5.741 -10.832 1.00 0.17 N ATOM 44 C8 DG A 2 9.639 -5.282 -9.981 1.00 0.20 C ATOM 45 N7 DG A 2 9.926 -5.411 -8.709 1.00 0.19 N ATOM 46 C5 DG A 2 11.194 -6.019 -8.753 1.00 0.16 C ATOM 47 C6 DG A 2 12.033 -6.415 -7.683 1.00 0.16 C ATOM 48 O6 DG A 2 11.809 -6.305 -6.472 1.00 0.19 O ATOM 49 N1 DG A 2 13.198 -6.961 -8.107 1.00 0.16 N ATOM 50 C2 DG A 2 13.555 -7.140 -9.421 1.00 0.16 C ATOM 51 N2 DG A 2 14.720 -7.711 -9.701 1.00 0.23 N ATOM 52 N3 DG A 2 12.778 -6.764 -10.436 1.00 0.16 N ATOM 53 C4 DG A 2 11.622 -6.217 -10.028 1.00 0.14 C ATOM 0 H5' DG A 2 9.781 -2.705 -14.960 1.00 0.25 H new ATOM 0 H5'' DG A 2 9.652 -3.899 -16.236 1.00 0.25 H new ATOM 0 H4' DG A 2 11.357 -4.440 -14.790 1.00 0.21 H new ATOM 0 H3' DG A 2 9.308 -6.378 -15.302 1.00 0.31 H new ATOM 0 H2' DG A 2 8.734 -6.352 -12.872 1.00 0.29 H new ATOM 0 H2'' DG A 2 9.951 -7.611 -12.941 1.00 0.29 H new ATOM 0 H1' DG A 2 11.716 -6.067 -12.329 1.00 0.21 H new ATOM 0 H8 DG A 2 8.711 -4.857 -10.335 1.00 0.20 H new ATOM 0 H1 DG A 2 13.862 -7.263 -7.394 1.00 0.16 H new ATOM 0 H21 DG A 2 14.999 -7.851 -10.672 1.00 0.23 H new ATOM 0 H22 DG A 2 15.336 -8.010 -8.945 1.00 0.23 H new ATOM 65 P DT A 3 11.102 -8.101 -16.029 1.00 0.32 P ATOM 66 OP1 DT A 3 12.090 -9.138 -15.693 1.00 0.35 O ATOM 67 OP2 DT A 3 11.071 -7.516 -17.372 1.00 0.41 O ATOM 68 O5' DT A 3 9.627 -8.714 -15.727 1.00 0.32 O ATOM 69 C5' DT A 3 9.428 -9.822 -14.833 1.00 0.33 C ATOM 70 C4' DT A 3 7.965 -9.961 -14.423 1.00 0.30 C ATOM 71 O4' DT A 3 7.140 -10.014 -15.593 1.00 0.36 O ATOM 72 C3' DT A 3 7.418 -8.806 -13.626 1.00 0.24 C ATOM 73 O3' DT A 3 7.666 -8.891 -12.246 1.00 0.21 O ATOM 74 C2' DT A 3 5.869 -8.968 -13.909 1.00 0.35 C ATOM 75 C1' DT A 3 6.042 -9.112 -15.441 1.00 0.38 C ATOM 76 N1 DT A 3 6.247 -7.824 -16.206 1.00 0.36 N ATOM 77 C2 DT A 3 5.557 -6.680 -15.821 1.00 0.34 C ATOM 78 O2 DT A 3 4.762 -6.632 -14.897 1.00 0.37 O ATOM 79 N3 DT A 3 5.796 -5.561 -16.559 1.00 0.34 N ATOM 80 C4 DT A 3 6.657 -5.466 -17.647 1.00 0.34 C ATOM 81 O4 DT A 3 6.796 -4.398 -18.230 1.00 0.37 O ATOM 82 C5 DT A 3 7.322 -6.690 -17.968 1.00 0.39 C ATOM 83 C7 DT A 3 8.300 -6.678 -19.149 1.00 0.47 C ATOM 84 C6 DT A 3 7.122 -7.805 -17.280 1.00 0.39 C ATOM 0 H5' DT A 3 10.044 -9.687 -13.944 1.00 0.33 H new ATOM 0 H5'' DT A 3 9.760 -10.742 -15.314 1.00 0.33 H new ATOM 0 H4' DT A 3 7.943 -10.863 -13.812 1.00 0.30 H new ATOM 0 H3' DT A 3 7.868 -7.854 -13.907 1.00 0.24 H new ATOM 0 H2' DT A 3 5.423 -9.841 -13.432 1.00 0.35 H new ATOM 0 H2'' DT A 3 5.274 -8.104 -13.612 1.00 0.35 H new ATOM 0 H1' DT A 3 5.115 -9.479 -15.882 1.00 0.38 H new ATOM 0 H3 DT A 3 5.297 -4.713 -16.289 1.00 0.34 H new ATOM 0 H71 DT A 3 9.086 -7.414 -18.978 1.00 0.47 H new ATOM 0 H72 DT A 3 7.766 -6.924 -20.066 1.00 0.47 H new ATOM 0 H73 DT A 3 8.745 -5.687 -19.243 1.00 0.47 H new ATOM 0 H6 DT A 3 7.646 -8.707 -17.559 1.00 0.39 H new ATOM 97 P DT A 4 7.289 -7.749 -11.179 1.00 0.24 P ATOM 98 OP1 DT A 4 7.232 -6.454 -11.880 1.00 0.29 O ATOM 99 OP2 DT A 4 8.221 -7.901 -10.045 1.00 0.24 O ATOM 100 O5' DT A 4 5.770 -8.126 -10.814 1.00 0.31 O ATOM 101 C5' DT A 4 5.291 -9.314 -10.180 1.00 0.30 C ATOM 102 C4' DT A 4 5.737 -9.534 -8.742 1.00 0.30 C ATOM 103 O4' DT A 4 7.118 -9.921 -8.659 1.00 0.24 O ATOM 104 C3' DT A 4 5.561 -8.264 -7.858 1.00 0.32 C ATOM 105 O3' DT A 4 4.673 -8.372 -6.738 1.00 0.33 O ATOM 106 C2' DT A 4 7.028 -8.127 -7.393 1.00 0.29 C ATOM 107 C1' DT A 4 7.663 -9.475 -7.410 1.00 0.23 C ATOM 108 N1 DT A 4 9.167 -9.455 -7.401 1.00 0.23 N ATOM 109 C2 DT A 4 9.824 -8.990 -6.268 1.00 0.24 C ATOM 110 O2 DT A 4 9.223 -8.552 -5.301 1.00 0.33 O ATOM 111 N3 DT A 4 11.198 -9.022 -6.311 1.00 0.24 N ATOM 112 C4 DT A 4 11.975 -9.467 -7.361 1.00 0.22 C ATOM 113 O4 DT A 4 13.199 -9.473 -7.267 1.00 0.24 O ATOM 114 C5 DT A 4 11.209 -9.924 -8.502 1.00 0.22 C ATOM 115 C7 DT A 4 11.939 -10.427 -9.742 1.00 0.33 C ATOM 116 C6 DT A 4 9.874 -9.907 -8.494 1.00 0.24 C ATOM 0 H5' DT A 4 5.610 -10.171 -10.773 1.00 0.30 H new ATOM 0 H5'' DT A 4 4.201 -9.299 -10.202 1.00 0.30 H new ATOM 0 H4' DT A 4 5.095 -10.333 -8.372 1.00 0.30 H new ATOM 0 H3' DT A 4 5.102 -7.432 -8.392 1.00 0.32 H new ATOM 0 H2' DT A 4 7.570 -7.446 -8.049 1.00 0.29 H new ATOM 0 H2'' DT A 4 7.068 -7.703 -6.390 1.00 0.29 H new ATOM 0 H1' DT A 4 7.465 -10.096 -6.536 1.00 0.23 H new ATOM 0 H3 DT A 4 11.692 -8.683 -5.485 1.00 0.24 H new ATOM 0 H71 DT A 4 11.330 -11.180 -10.242 1.00 0.33 H new ATOM 0 H72 DT A 4 12.117 -9.594 -10.422 1.00 0.33 H new ATOM 0 H73 DT A 4 12.892 -10.867 -9.450 1.00 0.33 H new ATOM 0 H6 DT A 4 9.336 -10.255 -9.363 1.00 0.24 H new ATOM 129 P DG A 5 4.221 -7.023 -5.956 1.00 0.28 P ATOM 130 OP1 DG A 5 2.770 -6.967 -6.138 1.00 0.40 O ATOM 131 OP2 DG A 5 5.062 -5.883 -6.392 1.00 0.24 O ATOM 132 O5' DG A 5 4.578 -7.372 -4.427 1.00 0.31 O ATOM 133 C5' DG A 5 3.615 -7.564 -3.370 1.00 0.34 C ATOM 134 C4' DG A 5 3.784 -6.592 -2.200 1.00 0.31 C ATOM 135 O4' DG A 5 5.163 -6.593 -1.761 1.00 0.39 O ATOM 136 C3' DG A 5 3.483 -5.160 -2.613 1.00 0.25 C ATOM 137 O3' DG A 5 3.128 -4.321 -1.500 1.00 0.38 O ATOM 138 C2' DG A 5 4.895 -4.845 -3.038 1.00 0.28 C ATOM 139 C1' DG A 5 5.712 -5.284 -1.866 1.00 0.38 C ATOM 140 N9 DG A 5 7.171 -5.265 -2.072 1.00 0.42 N ATOM 141 C8 DG A 5 8.134 -5.244 -1.132 1.00 0.55 C ATOM 142 N7 DG A 5 9.335 -5.217 -1.628 1.00 0.56 N ATOM 143 C5 DG A 5 9.161 -5.216 -2.993 1.00 0.44 C ATOM 144 C6 DG A 5 10.111 -5.191 -4.042 1.00 0.41 C ATOM 145 O6 DG A 5 11.335 -5.165 -3.962 1.00 0.47 O ATOM 146 N1 DG A 5 9.516 -5.202 -5.270 1.00 0.29 N ATOM 147 C2 DG A 5 8.166 -5.231 -5.460 1.00 0.22 C ATOM 148 N2 DG A 5 7.769 -5.234 -6.715 1.00 0.22 N ATOM 149 N3 DG A 5 7.252 -5.256 -4.484 1.00 0.24 N ATOM 150 C4 DG A 5 7.836 -5.245 -3.277 1.00 0.34 C ATOM 0 H5' DG A 5 3.697 -8.585 -2.997 1.00 0.34 H new ATOM 0 H5'' DG A 5 2.611 -7.454 -3.780 1.00 0.34 H new ATOM 0 H4' DG A 5 3.097 -6.918 -1.419 1.00 0.31 H new ATOM 0 H3' DG A 5 2.663 -5.022 -3.318 1.00 0.25 H new ATOM 0 H2' DG A 5 5.172 -5.382 -3.945 1.00 0.28 H new ATOM 0 H2'' DG A 5 5.026 -3.783 -3.244 1.00 0.28 H new ATOM 0 H1' DG A 5 5.652 -4.647 -0.983 1.00 0.38 H new ATOM 0 H8 DG A 5 7.929 -5.249 -0.072 1.00 0.55 H new ATOM 0 H1 DG A 5 10.116 -5.188 -6.094 1.00 0.29 H new ATOM 0 H21 DG A 5 6.773 -5.255 -6.935 1.00 0.22 H new ATOM 0 H22 DG A 5 8.457 -5.215 -7.468 1.00 0.22 H new ATOM 162 P DG A 6 2.851 -2.731 -1.650 1.00 0.48 P ATOM 163 OP1 DG A 6 1.434 -2.537 -1.948 1.00 0.65 O ATOM 164 OP2 DG A 6 3.856 -2.142 -2.546 1.00 0.40 O ATOM 165 O5' DG A 6 3.150 -2.207 -0.191 1.00 0.61 O ATOM 166 C5' DG A 6 3.537 -0.881 0.134 1.00 0.55 C ATOM 167 C4' DG A 6 5.023 -0.787 0.450 1.00 0.39 C ATOM 168 O4' DG A 6 5.852 -1.265 -0.613 1.00 0.30 O ATOM 169 C3' DG A 6 5.506 0.610 0.844 1.00 0.34 C ATOM 170 O3' DG A 6 6.167 0.642 2.110 1.00 0.34 O ATOM 171 C2' DG A 6 6.457 0.819 -0.293 1.00 0.31 C ATOM 172 C1' DG A 6 7.073 -0.523 -0.577 1.00 0.27 C ATOM 173 N9 DG A 6 7.809 -0.786 -1.835 1.00 0.24 N ATOM 174 C8 DG A 6 7.304 -0.958 -3.098 1.00 0.28 C ATOM 175 N7 DG A 6 8.206 -1.241 -3.992 1.00 0.26 N ATOM 176 C5 DG A 6 9.391 -1.260 -3.276 1.00 0.20 C ATOM 177 C6 DG A 6 10.717 -1.521 -3.714 1.00 0.19 C ATOM 178 O6 DG A 6 11.105 -1.814 -4.833 1.00 0.25 O ATOM 179 N1 DG A 6 11.618 -1.443 -2.685 1.00 0.18 N ATOM 180 C2 DG A 6 11.298 -1.149 -1.379 1.00 0.18 C ATOM 181 N2 DG A 6 12.285 -1.079 -0.522 1.00 0.22 N ATOM 182 N3 DG A 6 10.063 -0.906 -0.955 1.00 0.19 N ATOM 183 C4 DG A 6 9.159 -0.980 -1.957 1.00 0.19 C ATOM 0 H5' DG A 6 2.960 -0.534 0.991 1.00 0.55 H new ATOM 0 H5'' DG A 6 3.300 -0.219 -0.699 1.00 0.55 H new ATOM 0 H4' DG A 6 5.125 -1.436 1.320 1.00 0.39 H new ATOM 0 H3' DG A 6 4.725 1.360 0.975 1.00 0.34 H new ATOM 0 H2' DG A 6 5.936 1.202 -1.171 1.00 0.31 H new ATOM 0 H2'' DG A 6 7.221 1.551 -0.032 1.00 0.31 H new ATOM 0 H1' DG A 6 7.871 -0.727 0.137 1.00 0.27 H new ATOM 0 H8 DG A 6 6.253 -0.867 -3.330 1.00 0.28 H new ATOM 0 H1 DG A 6 12.599 -1.616 -2.903 1.00 0.18 H new ATOM 0 H21 DG A 6 12.096 -0.864 0.457 1.00 0.22 H new ATOM 0 H22 DG A 6 13.243 -1.240 -0.833 1.00 0.22 H new ATOM 195 P DT A 7 5.425 0.251 3.487 1.00 0.37 P ATOM 196 OP1 DT A 7 4.880 -1.107 3.372 1.00 0.53 O ATOM 197 OP2 DT A 7 4.552 1.373 3.831 1.00 0.37 O ATOM 198 O5' DT A 7 6.592 0.203 4.581 1.00 0.39 O ATOM 199 C5' DT A 7 7.351 -0.971 4.887 1.00 0.44 C ATOM 200 C4' DT A 7 8.722 -1.002 4.190 1.00 0.32 C ATOM 201 O4' DT A 7 9.564 -2.149 4.529 1.00 0.37 O ATOM 202 C3' DT A 7 8.589 -1.048 2.675 1.00 0.22 C ATOM 203 O3' DT A 7 8.947 0.169 1.976 1.00 0.25 O ATOM 204 C2' DT A 7 9.484 -2.172 2.323 1.00 0.29 C ATOM 205 C1' DT A 7 10.506 -2.260 3.463 1.00 0.29 C ATOM 206 N1 DT A 7 11.334 -3.446 3.435 1.00 0.28 N ATOM 207 C2 DT A 7 12.154 -3.644 2.367 1.00 0.24 C ATOM 208 O2 DT A 7 12.244 -2.883 1.426 1.00 0.29 O ATOM 209 N3 DT A 7 12.904 -4.803 2.376 1.00 0.28 N ATOM 210 C4 DT A 7 12.893 -5.751 3.341 1.00 0.41 C ATOM 211 O4 DT A 7 13.584 -6.730 3.233 1.00 0.50 O ATOM 212 C5 DT A 7 12.016 -5.481 4.427 1.00 0.49 C ATOM 213 C7 DT A 7 11.924 -6.497 5.538 1.00 0.73 C ATOM 214 C6 DT A 7 11.266 -4.353 4.455 1.00 0.43 C ATOM 0 H5' DT A 7 6.781 -1.852 4.593 1.00 0.44 H new ATOM 0 H5'' DT A 7 7.497 -1.031 5.966 1.00 0.44 H new ATOM 0 H4' DT A 7 9.188 -0.084 4.549 1.00 0.32 H new ATOM 0 H3' DT A 7 7.550 -1.170 2.371 1.00 0.22 H new ATOM 0 H2' DT A 7 8.925 -3.102 2.226 1.00 0.29 H new ATOM 0 H2'' DT A 7 9.977 -1.995 1.367 1.00 0.29 H new ATOM 0 H1' DT A 7 11.313 -1.528 3.480 1.00 0.29 H new ATOM 0 H3 DT A 7 13.524 -4.959 1.581 1.00 0.28 H new ATOM 0 H71 DT A 7 12.114 -7.493 5.137 1.00 0.73 H new ATOM 0 H72 DT A 7 12.665 -6.267 6.304 1.00 0.73 H new ATOM 0 H73 DT A 7 10.927 -6.467 5.977 1.00 0.73 H new ATOM 0 H6 DT A 7 10.608 -4.169 5.291 1.00 0.43 H new ATOM 227 P DG A 8 10.304 1.020 2.189 1.00 0.29 P ATOM 228 OP1 DG A 8 11.430 0.358 1.520 1.00 0.27 O ATOM 229 OP2 DG A 8 10.383 1.355 3.600 1.00 0.53 O ATOM 230 O5' DG A 8 9.934 2.353 1.391 1.00 0.41 O ATOM 231 C5' DG A 8 10.847 3.305 0.814 1.00 0.36 C ATOM 232 C4' DG A 8 11.694 2.670 -0.275 1.00 0.27 C ATOM 233 O4' DG A 8 10.829 2.026 -1.217 1.00 0.38 O ATOM 234 C3' DG A 8 12.591 3.623 -1.096 1.00 0.24 C ATOM 235 O3' DG A 8 12.930 4.849 -0.526 1.00 0.33 O ATOM 236 C2' DG A 8 11.712 3.797 -2.288 1.00 0.29 C ATOM 237 C1' DG A 8 11.162 2.407 -2.532 1.00 0.31 C ATOM 238 N9 DG A 8 9.947 2.263 -3.345 1.00 0.34 N ATOM 239 C8 DG A 8 8.672 2.625 -3.002 1.00 0.44 C ATOM 240 N7 DG A 8 7.814 2.360 -3.933 1.00 0.48 N ATOM 241 C5 DG A 8 8.552 1.787 -4.957 1.00 0.41 C ATOM 242 C6 DG A 8 8.152 1.305 -6.212 1.00 0.46 C ATOM 243 O6 DG A 8 7.046 1.270 -6.708 1.00 0.58 O ATOM 244 N1 DG A 8 9.203 0.824 -6.910 1.00 0.43 N ATOM 245 C2 DG A 8 10.501 0.802 -6.471 1.00 0.40 C ATOM 246 N2 DG A 8 11.350 0.278 -7.328 1.00 0.45 N ATOM 247 N3 DG A 8 10.922 1.249 -5.286 1.00 0.33 N ATOM 248 C4 DG A 8 9.867 1.728 -4.595 1.00 0.33 C ATOM 0 H5' DG A 8 11.495 3.708 1.592 1.00 0.36 H new ATOM 0 H5'' DG A 8 10.287 4.143 0.399 1.00 0.36 H new ATOM 0 H4' DG A 8 12.361 1.999 0.267 1.00 0.27 H new ATOM 0 H3' DG A 8 13.590 3.214 -1.248 1.00 0.24 H new ATOM 0 H2' DG A 8 10.915 4.515 -2.097 1.00 0.29 H new ATOM 0 H2'' DG A 8 12.272 4.163 -3.149 1.00 0.29 H new ATOM 0 H1' DG A 8 11.895 1.832 -3.098 1.00 0.31 H new ATOM 0 H8 DG A 8 8.411 3.081 -2.058 1.00 0.44 H new ATOM 0 H1 DG A 8 9.016 0.447 -7.839 1.00 0.43 H new ATOM 0 H21 DG A 8 12.340 0.217 -7.092 1.00 0.45 H new ATOM 0 H22 DG A 8 11.018 -0.067 -8.228 1.00 0.45 H new ATOM 260 P DT A 9 14.089 5.005 0.560 1.00 0.39 P ATOM 261 OP1 DT A 9 13.669 4.403 1.822 1.00 0.48 O ATOM 262 OP2 DT A 9 14.521 6.387 0.537 1.00 0.66 O ATOM 263 O5' DT A 9 15.273 4.133 -0.040 1.00 0.36 O ATOM 264 C5' DT A 9 15.968 3.154 0.746 1.00 0.34 C ATOM 265 C4' DT A 9 16.787 2.253 -0.111 1.00 0.22 C ATOM 266 O4' DT A 9 15.954 1.479 -1.025 1.00 0.27 O ATOM 267 C3' DT A 9 17.845 3.002 -0.934 1.00 0.20 C ATOM 268 O3' DT A 9 19.079 2.278 -0.844 1.00 0.25 O ATOM 269 C2' DT A 9 17.122 2.873 -2.283 1.00 0.21 C ATOM 270 C1' DT A 9 16.638 1.452 -2.273 1.00 0.20 C ATOM 271 N1 DT A 9 15.902 1.056 -3.501 1.00 0.20 N ATOM 272 C2 DT A 9 14.524 1.090 -3.506 1.00 0.24 C ATOM 273 O2 DT A 9 13.829 1.403 -2.544 1.00 0.26 O ATOM 274 N3 DT A 9 13.886 0.730 -4.683 1.00 0.27 N ATOM 275 C4 DT A 9 14.507 0.337 -5.837 1.00 0.28 C ATOM 276 O4 DT A 9 13.827 0.056 -6.805 1.00 0.29 O ATOM 277 C5 DT A 9 15.964 0.317 -5.769 1.00 0.26 C ATOM 278 C7 DT A 9 16.787 -0.113 -6.984 1.00 0.31 C ATOM 279 C6 DT A 9 16.591 0.667 -4.643 1.00 0.22 C ATOM 0 H5' DT A 9 15.249 2.564 1.314 1.00 0.34 H new ATOM 0 H5'' DT A 9 16.611 3.655 1.469 1.00 0.34 H new ATOM 0 H4' DT A 9 17.299 1.587 0.584 1.00 0.22 H new ATOM 0 H3' DT A 9 18.128 4.021 -0.670 1.00 0.20 H new ATOM 0 H2' DT A 9 16.297 3.580 -2.368 1.00 0.21 H new ATOM 0 H2'' DT A 9 17.793 3.065 -3.120 1.00 0.21 H new ATOM 0 H1' DT A 9 17.382 0.657 -2.322 1.00 0.20 H new ATOM 0 H3 DT A 9 12.866 0.761 -4.689 1.00 0.27 H new ATOM 0 H71 DT A 9 16.219 -0.834 -7.571 1.00 0.31 H new ATOM 0 H72 DT A 9 17.011 0.759 -7.598 1.00 0.31 H new ATOM 0 H73 DT A 9 17.718 -0.570 -6.649 1.00 0.31 H new ATOM 0 H6 DT A 9 17.671 0.647 -4.619 1.00 0.22 H new ATOM 292 P DG A 10 20.078 1.972 -2.067 1.00 0.22 P ATOM 293 OP1 DG A 10 20.534 3.253 -2.617 1.00 0.30 O ATOM 294 OP2 DG A 10 19.441 0.996 -2.953 1.00 0.34 O ATOM 295 O5' DG A 10 21.359 1.228 -1.403 1.00 0.32 O ATOM 296 C5' DG A 10 21.465 -0.139 -0.949 1.00 0.32 C ATOM 297 C4' DG A 10 20.689 -0.497 0.331 1.00 0.25 C ATOM 298 O4' DG A 10 19.280 -0.306 0.125 1.00 0.23 O ATOM 299 C3' DG A 10 20.873 -1.987 0.720 1.00 0.23 C ATOM 300 O3' DG A 10 21.263 -2.322 2.085 1.00 0.23 O ATOM 301 C2' DG A 10 19.499 -2.462 0.339 1.00 0.23 C ATOM 302 C1' DG A 10 18.529 -1.367 0.712 1.00 0.20 C ATOM 303 N9 DG A 10 17.233 -1.453 0.031 1.00 0.20 N ATOM 304 C8 DG A 10 15.973 -1.307 0.512 1.00 0.22 C ATOM 305 N7 DG A 10 15.048 -1.446 -0.386 1.00 0.20 N ATOM 306 C5 DG A 10 15.747 -1.697 -1.547 1.00 0.17 C ATOM 307 C6 DG A 10 15.287 -1.928 -2.857 1.00 0.17 C ATOM 308 O6 DG A 10 14.127 -1.946 -3.236 1.00 0.18 O ATOM 309 N1 DG A 10 16.334 -2.147 -3.754 1.00 0.17 N ATOM 310 C2 DG A 10 17.663 -2.127 -3.400 1.00 0.19 C ATOM 311 N2 DG A 10 18.586 -2.331 -4.299 1.00 0.22 N ATOM 312 N3 DG A 10 18.092 -1.912 -2.174 1.00 0.19 N ATOM 313 C4 DG A 10 17.084 -1.699 -1.302 1.00 0.17 C ATOM 0 H5' DG A 10 22.519 -0.363 -0.784 1.00 0.32 H new ATOM 0 H5'' DG A 10 21.122 -0.793 -1.751 1.00 0.32 H new ATOM 0 H4' DG A 10 21.078 0.150 1.118 1.00 0.25 H new ATOM 0 H3' DG A 10 21.732 -2.452 0.236 1.00 0.23 H new ATOM 0 H2' DG A 10 19.448 -2.674 -0.729 1.00 0.23 H new ATOM 0 H2'' DG A 10 19.254 -3.387 0.860 1.00 0.23 H new ATOM 0 H1' DG A 10 18.261 -1.329 1.768 1.00 0.20 H new ATOM 0 H8 DG A 10 15.760 -1.094 1.549 1.00 0.22 H new ATOM 0 H1 DG A 10 16.100 -2.333 -4.729 1.00 0.17 H new ATOM 0 H21 DG A 10 19.570 -2.315 -4.032 1.00 0.22 H new ATOM 0 H22 DG A 10 18.323 -2.506 -5.269 1.00 0.22 H new ATOM 325 P DG A 11 21.294 -3.901 2.445 1.00 0.24 P ATOM 326 OP1 DG A 11 22.072 -4.092 3.690 1.00 0.26 O ATOM 327 OP2 DG A 11 21.711 -4.584 1.208 1.00 0.32 O ATOM 328 O5' DG A 11 19.732 -4.192 2.727 1.00 0.25 O ATOM 329 C5' DG A 11 18.921 -3.560 3.730 1.00 0.26 C ATOM 330 C4' DG A 11 17.434 -3.940 3.635 1.00 0.24 C ATOM 331 O4' DG A 11 16.939 -3.715 2.292 1.00 0.24 O ATOM 332 C3' DG A 11 17.273 -5.443 3.946 1.00 0.22 C ATOM 333 O3' DG A 11 16.048 -5.935 4.542 1.00 0.28 O ATOM 334 C2' DG A 11 17.314 -5.943 2.491 1.00 0.18 C ATOM 335 C1' DG A 11 16.438 -4.952 1.786 1.00 0.22 C ATOM 336 N9 DG A 11 16.406 -5.019 0.309 1.00 0.18 N ATOM 337 C8 DG A 11 17.418 -5.075 -0.608 1.00 0.25 C ATOM 338 N7 DG A 11 17.027 -5.102 -1.836 1.00 0.19 N ATOM 339 C5 DG A 11 15.657 -5.061 -1.749 1.00 0.13 C ATOM 340 C6 DG A 11 14.701 -5.067 -2.762 1.00 0.18 C ATOM 341 O6 DG A 11 14.900 -5.131 -3.961 1.00 0.21 O ATOM 342 N1 DG A 11 13.431 -5.011 -2.259 1.00 0.27 N ATOM 343 C2 DG A 11 13.129 -4.961 -0.911 1.00 0.26 C ATOM 344 N2 DG A 11 11.878 -4.885 -0.568 1.00 0.39 N ATOM 345 N3 DG A 11 14.020 -4.959 0.075 1.00 0.17 N ATOM 346 C4 DG A 11 15.267 -5.012 -0.439 1.00 0.13 C ATOM 0 H5' DG A 11 19.019 -2.478 3.639 1.00 0.26 H new ATOM 0 H5'' DG A 11 19.297 -3.832 4.716 1.00 0.26 H new ATOM 0 H4' DG A 11 16.877 -3.329 4.345 1.00 0.24 H new ATOM 0 H3' DG A 11 18.000 -5.758 4.694 1.00 0.22 H new ATOM 0 H2' DG A 11 18.328 -5.946 2.091 1.00 0.18 H new ATOM 0 H2'' DG A 11 16.932 -6.960 2.400 1.00 0.18 H new ATOM 0 H1' DG A 11 15.383 -5.137 1.987 1.00 0.22 H new ATOM 0 H8 DG A 11 18.460 -5.095 -0.327 1.00 0.25 H new ATOM 0 H1 DG A 11 12.656 -5.006 -2.922 1.00 0.27 H new ATOM 0 H21 DG A 11 11.621 -4.846 0.418 1.00 0.39 H new ATOM 0 H22 DG A 11 11.153 -4.864 -1.285 1.00 0.39 H new ATOM 358 P DT A 12 16.097 -7.171 5.545 1.00 0.33 P ATOM 359 OP1 DT A 12 14.818 -7.889 5.504 1.00 0.42 O ATOM 360 OP2 DT A 12 16.601 -6.719 6.840 1.00 0.45 O ATOM 361 O5' DT A 12 17.244 -8.169 4.913 1.00 0.33 O ATOM 362 C5' DT A 12 17.037 -9.267 4.019 1.00 0.32 C ATOM 363 C4' DT A 12 18.349 -9.802 3.472 1.00 0.24 C ATOM 364 O4' DT A 12 19.328 -10.002 4.487 1.00 0.24 O ATOM 365 C3' DT A 12 18.997 -8.803 2.512 1.00 0.21 C ATOM 366 O3' DT A 12 18.437 -8.955 1.187 1.00 0.24 O ATOM 367 C2' DT A 12 20.496 -9.228 2.576 1.00 0.21 C ATOM 368 C1' DT A 12 20.534 -9.323 4.121 1.00 0.22 C ATOM 369 N1 DT A 12 20.638 -8.048 4.848 1.00 0.22 N ATOM 370 C2 DT A 12 21.415 -7.010 4.323 1.00 0.25 C ATOM 371 O2 DT A 12 22.019 -7.046 3.270 1.00 0.32 O ATOM 372 N3 DT A 12 21.487 -5.843 5.054 1.00 0.27 N ATOM 373 C4 DT A 12 20.857 -5.630 6.243 1.00 0.32 C ATOM 374 O4 DT A 12 21.015 -4.565 6.795 1.00 0.40 O ATOM 375 C5 DT A 12 20.065 -6.736 6.737 1.00 0.36 C ATOM 376 C7 DT A 12 19.284 -6.624 8.045 1.00 0.49 C ATOM 377 C6 DT A 12 19.980 -7.891 6.040 1.00 0.30 C ATOM 0 H5' DT A 12 16.401 -8.949 3.193 1.00 0.32 H new ATOM 0 H5'' DT A 12 16.507 -10.065 4.539 1.00 0.32 H new ATOM 0 H4' DT A 12 18.081 -10.741 2.989 1.00 0.24 H new ATOM 0 H3' DT A 12 18.844 -7.754 2.764 1.00 0.21 H new ATOM 0 H2' DT A 12 20.707 -10.171 2.072 1.00 0.21 H new ATOM 0 H2'' DT A 12 21.181 -8.487 2.164 1.00 0.21 H new ATOM 0 H1' DT A 12 21.448 -9.844 4.406 1.00 0.22 H new ATOM 0 H3 DT A 12 22.054 -5.083 4.677 1.00 0.27 H new ATOM 0 H71 DT A 12 18.396 -7.254 7.994 1.00 0.49 H new ATOM 0 H72 DT A 12 19.913 -6.950 8.873 1.00 0.49 H new ATOM 0 H73 DT A 12 18.985 -5.588 8.203 1.00 0.49 H new ATOM 0 H6 DT A 12 19.384 -8.703 6.429 1.00 0.30 H new ATOM 390 P DT A 13 18.920 -8.123 -0.108 1.00 0.24 P ATOM 391 OP1 DT A 13 19.444 -6.846 0.403 1.00 0.27 O ATOM 392 OP2 DT A 13 17.871 -8.110 -1.155 1.00 0.33 O ATOM 393 O5' DT A 13 20.224 -8.918 -0.676 1.00 0.33 O ATOM 394 C5' DT A 13 20.324 -10.371 -0.757 1.00 0.37 C ATOM 395 C4' DT A 13 19.695 -10.940 -2.030 1.00 0.35 C ATOM 396 O4' DT A 13 18.277 -10.780 -2.151 1.00 0.34 O ATOM 397 C3' DT A 13 20.311 -10.422 -3.341 1.00 0.32 C ATOM 398 O3' DT A 13 20.736 -11.536 -4.127 1.00 0.35 O ATOM 399 C2' DT A 13 19.129 -9.697 -3.853 1.00 0.25 C ATOM 400 C1' DT A 13 17.944 -10.556 -3.496 1.00 0.25 C ATOM 401 N1 DT A 13 16.580 -9.978 -3.687 1.00 0.22 N ATOM 402 C2 DT A 13 16.052 -9.998 -4.963 1.00 0.24 C ATOM 403 O2 DT A 13 16.635 -10.448 -5.937 1.00 0.29 O ATOM 404 N3 DT A 13 14.803 -9.481 -5.070 1.00 0.24 N ATOM 405 C4 DT A 13 14.026 -8.946 -4.050 1.00 0.22 C ATOM 406 O4 DT A 13 12.895 -8.512 -4.285 1.00 0.27 O ATOM 407 C5 DT A 13 14.670 -8.973 -2.777 1.00 0.22 C ATOM 408 C7 DT A 13 13.920 -8.403 -1.560 1.00 0.35 C ATOM 409 C6 DT A 13 15.890 -9.472 -2.628 1.00 0.22 C ATOM 0 H5' DT A 13 19.837 -10.813 0.112 1.00 0.37 H new ATOM 0 H5'' DT A 13 21.374 -10.661 -0.715 1.00 0.37 H new ATOM 0 H4' DT A 13 19.925 -11.997 -1.895 1.00 0.35 H new ATOM 0 H3' DT A 13 21.206 -9.801 -3.297 1.00 0.32 H new ATOM 0 H2' DT A 13 19.048 -8.709 -3.400 1.00 0.25 H new ATOM 0 H2'' DT A 13 19.196 -9.549 -4.931 1.00 0.25 H new ATOM 0 H1' DT A 13 17.823 -11.425 -4.143 1.00 0.25 H new ATOM 0 H3 DT A 13 14.388 -9.485 -6.002 1.00 0.24 H new ATOM 0 H71 DT A 13 13.251 -7.606 -1.885 1.00 0.35 H new ATOM 0 H72 DT A 13 13.339 -9.195 -1.087 1.00 0.35 H new ATOM 0 H73 DT A 13 14.638 -8.004 -0.844 1.00 0.35 H new ATOM 0 H6 DT A 13 16.344 -9.477 -1.648 1.00 0.22 H new ATOM 422 P DG A 14 22.061 -11.618 -5.007 1.00 0.33 P ATOM 423 OP1 DG A 14 22.494 -13.009 -4.962 1.00 0.43 O ATOM 424 OP2 DG A 14 22.957 -10.560 -4.540 1.00 0.46 O ATOM 425 O5' DG A 14 21.548 -11.283 -6.476 1.00 0.32 O ATOM 426 C5' DG A 14 22.353 -11.271 -7.656 1.00 0.35 C ATOM 427 C4' DG A 14 22.268 -9.904 -8.352 1.00 0.29 C ATOM 428 O4' DG A 14 20.894 -9.582 -8.676 1.00 0.26 O ATOM 429 C3' DG A 14 22.763 -8.739 -7.488 1.00 0.26 C ATOM 430 O3' DG A 14 23.008 -7.648 -8.409 1.00 0.28 O ATOM 431 C2' DG A 14 21.473 -8.448 -6.768 1.00 0.28 C ATOM 432 C1' DG A 14 20.546 -8.399 -7.966 1.00 0.26 C ATOM 433 N9 DG A 14 19.140 -8.209 -7.772 1.00 0.22 N ATOM 434 C8 DG A 14 18.127 -8.650 -8.583 1.00 0.25 C ATOM 435 N7 DG A 14 16.960 -8.314 -8.162 1.00 0.23 N ATOM 436 C5 DG A 14 17.208 -7.613 -6.992 1.00 0.19 C ATOM 437 C6 DG A 14 16.308 -7.005 -6.092 1.00 0.18 C ATOM 438 O6 DG A 14 15.089 -7.011 -6.148 1.00 0.20 O ATOM 439 N1 DG A 14 16.970 -6.403 -5.049 1.00 0.20 N ATOM 440 C2 DG A 14 18.332 -6.388 -4.883 1.00 0.20 C ATOM 441 N2 DG A 14 18.823 -5.787 -3.816 1.00 0.25 N ATOM 442 N3 DG A 14 19.180 -6.955 -5.719 1.00 0.20 N ATOM 443 C4 DG A 14 18.547 -7.544 -6.749 1.00 0.20 C ATOM 0 H5' DG A 14 22.021 -12.054 -8.338 1.00 0.35 H new ATOM 0 H5'' DG A 14 23.389 -11.491 -7.399 1.00 0.35 H new ATOM 0 H4' DG A 14 22.902 -10.007 -9.233 1.00 0.29 H new ATOM 0 H3' DG A 14 23.640 -8.901 -6.862 1.00 0.26 H new ATOM 0 H2' DG A 14 21.202 -9.228 -6.056 1.00 0.28 H new ATOM 0 H2'' DG A 14 21.500 -7.508 -6.217 1.00 0.28 H new ATOM 0 H1' DG A 14 20.706 -7.468 -8.510 1.00 0.26 H new ATOM 0 H8 DG A 14 18.293 -9.222 -9.484 1.00 0.25 H new ATOM 0 H1 DG A 14 16.405 -5.931 -4.343 1.00 0.20 H new ATOM 0 H21 DG A 14 19.831 -5.759 -3.665 1.00 0.25 H new ATOM 0 H22 DG A 14 18.194 -5.350 -3.142 1.00 0.25 H new ATOM 455 P DG A 15 23.739 -6.292 -7.983 1.00 0.27 P ATOM 456 OP1 DG A 15 25.012 -6.716 -7.399 1.00 0.32 O ATOM 457 OP2 DG A 15 22.807 -5.509 -7.165 1.00 0.29 O ATOM 458 O5' DG A 15 24.011 -5.536 -9.390 1.00 0.33 O ATOM 459 C5' DG A 15 23.038 -4.993 -10.339 1.00 0.35 C ATOM 460 C4' DG A 15 21.814 -5.905 -10.554 1.00 0.31 C ATOM 461 O4' DG A 15 21.007 -5.857 -9.345 1.00 0.28 O ATOM 462 C3' DG A 15 20.861 -5.475 -11.692 1.00 0.37 C ATOM 463 O3' DG A 15 20.126 -6.640 -12.097 1.00 0.47 O ATOM 464 C2' DG A 15 19.995 -4.554 -10.907 1.00 0.32 C ATOM 465 C1' DG A 15 19.652 -5.476 -9.671 1.00 0.29 C ATOM 466 N9 DG A 15 18.971 -4.760 -8.570 1.00 0.26 N ATOM 467 C8 DG A 15 19.449 -4.265 -7.379 1.00 0.28 C ATOM 468 N7 DG A 15 18.551 -3.717 -6.642 1.00 0.28 N ATOM 469 C5 DG A 15 17.396 -3.850 -7.379 1.00 0.25 C ATOM 470 C6 DG A 15 16.080 -3.426 -7.065 1.00 0.25 C ATOM 471 O6 DG A 15 15.687 -2.825 -6.064 1.00 0.28 O ATOM 472 N1 DG A 15 15.177 -3.740 -8.066 1.00 0.24 N ATOM 473 C2 DG A 15 15.505 -4.379 -9.228 1.00 0.23 C ATOM 474 N2 DG A 15 14.525 -4.597 -10.079 1.00 0.26 N ATOM 475 N3 DG A 15 16.741 -4.782 -9.533 1.00 0.23 N ATOM 476 C4 DG A 15 17.637 -4.486 -8.561 1.00 0.24 C ATOM 0 H5' DG A 15 23.530 -4.827 -11.297 1.00 0.35 H new ATOM 0 H5'' DG A 15 22.698 -4.020 -9.983 1.00 0.35 H new ATOM 0 H4' DG A 15 22.223 -6.883 -10.808 1.00 0.31 H new ATOM 0 H3' DG A 15 21.299 -5.043 -12.592 1.00 0.37 H new ATOM 0 H2' DG A 15 20.516 -3.643 -10.614 1.00 0.32 H new ATOM 0 H2'' DG A 15 19.105 -4.249 -11.458 1.00 0.32 H new ATOM 0 HO3' DG A 15 19.508 -6.402 -12.819 1.00 0.47 H new ATOM 0 H1' DG A 15 18.950 -6.288 -9.860 1.00 0.29 H new ATOM 0 H8 DG A 15 20.487 -4.331 -7.089 1.00 0.28 H new ATOM 0 H1 DG A 15 14.201 -3.477 -7.927 1.00 0.24 H new ATOM 0 H21 DG A 15 14.713 -5.070 -10.963 1.00 0.26 H new ATOM 0 H22 DG A 15 13.578 -4.293 -9.855 1.00 0.26 H new TER 489 DG A 15