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 74:sc= 1.28 USER MOD Single : A 7 DT C7 :methyl 150:sc= -4.39! (180deg=-4.39!) USER MOD Single : A 7 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 71:sc= 1.26 USER MOD Single : B 7 DT C7 :methyl 150:sc= -4.51! (180deg=-4.51!) USER MOD Single : B 7 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.250 3.082 0.570 1.00 0.52 O ATOM 2 C5' DG A 1 -8.275 1.945 1.464 1.00 0.48 C ATOM 3 C4' DG A 1 -6.844 1.505 1.998 1.00 0.32 C ATOM 4 O4' DG A 1 -5.985 0.973 0.969 1.00 0.33 O ATOM 5 C3' DG A 1 -5.922 2.466 2.766 1.00 0.29 C ATOM 6 O3' DG A 1 -5.079 1.775 3.702 1.00 0.29 O ATOM 7 C2' DG A 1 -5.033 3.003 1.635 1.00 0.27 C ATOM 8 C1' DG A 1 -4.739 1.689 0.906 1.00 0.26 C ATOM 9 N9 DG A 1 -4.491 1.723 -0.557 1.00 0.21 N ATOM 10 C8 DG A 1 -3.522 1.083 -1.290 1.00 0.21 C ATOM 11 N7 DG A 1 -3.599 1.297 -2.573 1.00 0.25 N ATOM 12 C5 DG A 1 -4.690 2.135 -2.712 1.00 0.25 C ATOM 13 C6 DG A 1 -5.253 2.704 -3.882 1.00 0.31 C ATOM 14 O6 DG A 1 -4.879 2.563 -5.039 1.00 0.38 O ATOM 15 N1 DG A 1 -6.348 3.497 -3.590 1.00 0.32 N ATOM 16 C2 DG A 1 -6.836 3.710 -2.329 1.00 0.31 C ATOM 17 N2 DG A 1 -7.900 4.486 -2.209 1.00 0.38 N ATOM 18 N3 DG A 1 -6.313 3.178 -1.231 1.00 0.28 N ATOM 19 C4 DG A 1 -5.243 2.402 -1.489 1.00 0.23 C ATOM 0 H5' DG A 1 -8.733 1.101 0.948 1.00 0.48 H new ATOM 0 H5'' DG A 1 -8.912 2.181 2.317 1.00 0.48 H new ATOM 0 H4' DG A 1 -7.236 0.797 2.728 1.00 0.32 H new ATOM 0 H3' DG A 1 -6.477 3.208 3.340 1.00 0.29 H new ATOM 0 H2' DG A 1 -5.548 3.727 1.004 1.00 0.27 H new ATOM 0 H2'' DG A 1 -4.130 3.489 2.005 1.00 0.27 H new ATOM 0 HO5' DG A 1 -7.901 2.804 -0.303 1.00 0.52 H new ATOM 0 H1' DG A 1 -3.836 1.301 1.378 1.00 0.26 H new ATOM 0 H8 DG A 1 -2.763 0.458 -0.843 1.00 0.21 H new ATOM 0 H1 DG A 1 -6.824 3.954 -4.367 1.00 0.32 H new ATOM 0 H21 DG A 1 -8.295 4.670 -1.287 1.00 0.38 H new ATOM 0 H22 DG A 1 -8.325 4.900 -3.038 1.00 0.38 H new ATOM 32 P DG A 2 -4.567 2.455 5.068 1.00 0.33 P ATOM 33 OP1 DG A 2 -3.936 1.374 5.864 1.00 0.44 O ATOM 34 OP2 DG A 2 -5.685 3.236 5.651 1.00 0.48 O ATOM 35 O5' DG A 2 -3.405 3.478 4.570 1.00 0.30 O ATOM 36 C5' DG A 2 -2.034 3.038 4.435 1.00 0.25 C ATOM 37 C4' DG A 2 -1.178 3.781 3.299 1.00 0.23 C ATOM 38 O4' DG A 2 -1.753 3.673 1.959 1.00 0.23 O ATOM 39 C3' DG A 2 -0.937 5.320 3.457 1.00 0.23 C ATOM 40 O3' DG A 2 0.221 6.041 2.967 1.00 0.29 O ATOM 41 C2' DG A 2 -1.987 5.846 2.505 1.00 0.22 C ATOM 42 C1' DG A 2 -1.618 4.955 1.308 1.00 0.23 C ATOM 43 N9 DG A 2 -2.512 5.195 0.141 1.00 0.23 N ATOM 44 C8 DG A 2 -3.776 5.754 0.150 1.00 0.27 C ATOM 45 N7 DG A 2 -4.333 5.830 -1.005 1.00 0.30 N ATOM 46 C5 DG A 2 -3.398 5.297 -1.869 1.00 0.28 C ATOM 47 C6 DG A 2 -3.486 5.136 -3.264 1.00 0.32 C ATOM 48 O6 DG A 2 -4.393 5.451 -4.032 1.00 0.38 O ATOM 49 N1 DG A 2 -2.351 4.568 -3.762 1.00 0.31 N ATOM 50 C2 DG A 2 -1.254 4.197 -3.044 1.00 0.30 C ATOM 51 N2 DG A 2 -0.268 3.711 -3.778 1.00 0.36 N ATOM 52 N3 DG A 2 -1.139 4.332 -1.727 1.00 0.27 N ATOM 53 C4 DG A 2 -2.264 4.897 -1.197 1.00 0.25 C ATOM 0 H5' DG A 2 -2.033 1.968 4.225 1.00 0.25 H new ATOM 0 H5'' DG A 2 -1.531 3.175 5.392 1.00 0.25 H new ATOM 0 H4' DG A 2 -0.241 3.240 3.430 1.00 0.23 H new ATOM 0 H3' DG A 2 -0.887 5.459 4.537 1.00 0.23 H new ATOM 0 H2' DG A 2 -3.006 5.689 2.860 1.00 0.22 H new ATOM 0 H2'' DG A 2 -1.883 6.911 2.296 1.00 0.22 H new ATOM 0 H1' DG A 2 -0.644 5.108 0.843 1.00 0.23 H new ATOM 0 H8 DG A 2 -4.256 6.099 1.054 1.00 0.27 H new ATOM 0 H1 DG A 2 -2.320 4.405 -4.768 1.00 0.31 H new ATOM 0 H21 DG A 2 0.597 3.405 -3.332 1.00 0.36 H new ATOM 0 H22 DG A 2 -0.372 3.642 -4.790 1.00 0.36 H new ATOM 65 P DA A 3 0.604 7.510 3.567 1.00 0.37 P ATOM 66 OP1 DA A 3 -0.373 7.867 4.623 1.00 0.43 O ATOM 67 OP2 DA A 3 0.840 8.416 2.421 1.00 0.63 O ATOM 68 O5' DA A 3 2.025 7.128 4.240 1.00 0.53 O ATOM 69 C5' DA A 3 2.206 5.863 4.910 1.00 0.41 C ATOM 70 C4' DA A 3 3.316 4.973 4.216 1.00 0.31 C ATOM 71 O4' DA A 3 2.946 4.719 2.839 1.00 0.28 O ATOM 72 C3' DA A 3 4.805 5.431 4.124 1.00 0.35 C ATOM 73 O3' DA A 3 5.824 4.420 3.929 1.00 0.45 O ATOM 74 C2' DA A 3 4.787 6.142 2.783 1.00 0.37 C ATOM 75 C1' DA A 3 4.011 5.116 1.955 1.00 0.32 C ATOM 76 N9 DA A 3 3.453 5.764 0.755 1.00 0.31 N ATOM 77 C8 DA A 3 2.348 6.547 0.642 1.00 0.32 C ATOM 78 N7 DA A 3 2.134 7.016 -0.554 1.00 0.36 N ATOM 79 C5 DA A 3 3.189 6.494 -1.287 1.00 0.36 C ATOM 80 C6 DA A 3 3.559 6.606 -2.625 1.00 0.40 C ATOM 81 N6 DA A 3 2.885 7.300 -3.516 1.00 0.42 N ATOM 82 N1 DA A 3 4.652 5.968 -3.025 1.00 0.41 N ATOM 83 C2 DA A 3 5.337 5.258 -2.150 1.00 0.41 C ATOM 84 N3 DA A 3 5.104 5.068 -0.861 1.00 0.36 N ATOM 85 C4 DA A 3 3.993 5.730 -0.494 1.00 0.34 C ATOM 0 H5' DA A 3 1.261 5.320 4.919 1.00 0.41 H new ATOM 0 H5'' DA A 3 2.482 6.040 5.949 1.00 0.41 H new ATOM 0 H4' DA A 3 3.319 4.138 4.917 1.00 0.31 H new ATOM 0 H3' DA A 3 5.060 5.938 5.054 1.00 0.35 H new ATOM 0 H2' DA A 3 4.284 7.108 2.829 1.00 0.37 H new ATOM 0 H2'' DA A 3 5.789 6.322 2.392 1.00 0.37 H new ATOM 0 H1' DA A 3 4.623 4.281 1.614 1.00 0.32 H new ATOM 0 H8 DA A 3 1.699 6.763 1.478 1.00 0.32 H new ATOM 0 H61 DA A 3 3.210 7.342 -4.482 1.00 0.42 H new ATOM 0 H62 DA A 3 2.037 7.796 -3.241 1.00 0.42 H new ATOM 0 H2 DA A 3 6.213 4.761 -2.541 1.00 0.41 H new ATOM 97 P DG A 4 6.939 3.980 5.023 1.00 0.41 P ATOM 98 OP1 DG A 4 7.250 5.167 5.857 1.00 0.58 O ATOM 99 OP2 DG A 4 8.031 3.280 4.309 1.00 0.62 O ATOM 100 O5' DG A 4 6.112 2.896 5.921 1.00 0.44 O ATOM 101 C5' DG A 4 5.405 3.278 7.120 1.00 0.36 C ATOM 102 C4' DG A 4 4.288 2.337 7.630 1.00 0.46 C ATOM 103 O4' DG A 4 3.138 2.260 6.758 1.00 0.38 O ATOM 104 C3' DG A 4 4.614 0.896 8.024 1.00 0.51 C ATOM 105 O3' DG A 4 3.914 0.410 9.195 1.00 0.58 O ATOM 106 C2' DG A 4 4.138 0.239 6.731 1.00 0.45 C ATOM 107 C1' DG A 4 2.753 0.884 6.585 1.00 0.39 C ATOM 108 N9 DG A 4 2.128 0.747 5.238 1.00 0.32 N ATOM 109 C8 DG A 4 2.643 1.154 4.035 1.00 0.33 C ATOM 110 N7 DG A 4 1.886 0.911 3.005 1.00 0.35 N ATOM 111 C5 DG A 4 0.775 0.288 3.564 1.00 0.29 C ATOM 112 C6 DG A 4 -0.392 -0.210 2.930 1.00 0.31 C ATOM 113 O6 DG A 4 -0.678 -0.194 1.737 1.00 0.41 O ATOM 114 N1 DG A 4 -1.268 -0.758 3.836 1.00 0.29 N ATOM 115 C2 DG A 4 -1.065 -0.828 5.184 1.00 0.31 C ATOM 116 N2 DG A 4 -2.037 -1.384 5.888 1.00 0.39 N ATOM 117 N3 DG A 4 0.018 -0.374 5.804 1.00 0.32 N ATOM 118 C4 DG A 4 0.905 0.178 4.929 1.00 0.29 C ATOM 0 H5' DG A 4 4.964 4.260 6.950 1.00 0.36 H new ATOM 0 H5'' DG A 4 6.138 3.392 7.919 1.00 0.36 H new ATOM 0 H4' DG A 4 4.096 2.871 8.561 1.00 0.46 H new ATOM 0 H3' DG A 4 5.645 0.716 8.327 1.00 0.51 H new ATOM 0 H2' DG A 4 4.791 0.463 5.887 1.00 0.45 H new ATOM 0 H2'' DG A 4 4.084 -0.847 6.813 1.00 0.45 H new ATOM 0 H1' DG A 4 2.016 0.448 7.260 1.00 0.39 H new ATOM 0 H8 DG A 4 3.604 1.639 3.948 1.00 0.33 H new ATOM 0 H1 DG A 4 -2.140 -1.143 3.472 1.00 0.29 H new ATOM 0 H21 DG A 4 -1.949 -1.468 6.901 1.00 0.39 H new ATOM 0 H22 DG A 4 -2.874 -1.729 5.418 1.00 0.39 H new ATOM 130 P DG A 5 4.541 -0.772 10.116 1.00 0.69 P ATOM 131 OP1 DG A 5 3.884 -0.755 11.444 1.00 0.89 O ATOM 132 OP2 DG A 5 6.016 -0.675 10.018 1.00 0.86 O ATOM 133 O5' DG A 5 4.050 -2.061 9.264 1.00 0.59 O ATOM 134 C5' DG A 5 2.648 -2.356 9.083 1.00 0.51 C ATOM 135 C4' DG A 5 2.332 -3.309 7.868 1.00 0.43 C ATOM 136 O4' DG A 5 2.600 -2.747 6.547 1.00 0.40 O ATOM 137 C3' DG A 5 2.964 -4.709 7.792 1.00 0.45 C ATOM 138 O3' DG A 5 2.061 -5.715 7.225 1.00 0.54 O ATOM 139 C2' DG A 5 4.087 -4.453 6.778 1.00 0.42 C ATOM 140 C1' DG A 5 3.291 -3.707 5.708 1.00 0.37 C ATOM 141 N9 DG A 5 4.113 -3.069 4.630 1.00 0.34 N ATOM 142 C8 DG A 5 5.443 -2.712 4.659 1.00 0.38 C ATOM 143 N7 DG A 5 5.880 -2.155 3.570 1.00 0.37 N ATOM 144 C5 DG A 5 4.775 -2.136 2.731 1.00 0.31 C ATOM 145 C6 DG A 5 4.656 -1.647 1.394 1.00 0.29 C ATOM 146 O6 DG A 5 5.503 -1.124 0.676 1.00 0.32 O ATOM 147 N1 DG A 5 3.380 -1.824 0.919 1.00 0.27 N ATOM 148 C2 DG A 5 2.363 -2.389 1.629 1.00 0.25 C ATOM 149 N2 DG A 5 1.230 -2.497 0.989 1.00 0.25 N ATOM 150 N3 DG A 5 2.437 -2.850 2.873 1.00 0.27 N ATOM 151 C4 DG A 5 3.684 -2.691 3.366 1.00 0.30 C ATOM 0 H5' DG A 5 2.108 -1.420 8.944 1.00 0.51 H new ATOM 0 H5'' DG A 5 2.265 -2.813 9.996 1.00 0.51 H new ATOM 0 H4' DG A 5 1.275 -3.414 8.112 1.00 0.43 H new ATOM 0 H3' DG A 5 3.253 -5.092 8.771 1.00 0.45 H new ATOM 0 H2' DG A 5 4.897 -3.853 7.192 1.00 0.42 H new ATOM 0 H2'' DG A 5 4.532 -5.375 6.403 1.00 0.42 H new ATOM 0 H1' DG A 5 2.652 -4.353 5.106 1.00 0.37 H new ATOM 0 H8 DG A 5 6.073 -2.882 5.520 1.00 0.38 H new ATOM 0 H1 DG A 5 3.179 -1.511 -0.031 1.00 0.27 H new ATOM 0 H21 DG A 5 0.420 -2.910 1.452 1.00 0.25 H new ATOM 0 H22 DG A 5 1.155 -2.169 0.026 1.00 0.25 H new ATOM 163 P DA A 6 1.706 -7.087 8.002 1.00 0.42 P ATOM 164 OP1 DA A 6 2.981 -7.525 8.599 1.00 0.80 O ATOM 165 OP2 DA A 6 0.974 -8.011 7.101 1.00 0.59 O ATOM 166 O5' DA A 6 0.738 -6.642 9.227 1.00 0.74 O ATOM 167 C5' DA A 6 -0.675 -6.368 9.391 1.00 0.43 C ATOM 168 C4' DA A 6 -1.751 -6.868 8.343 1.00 0.37 C ATOM 169 O4' DA A 6 -1.637 -6.294 7.021 1.00 0.34 O ATOM 170 C3' DA A 6 -1.809 -8.350 8.022 1.00 0.37 C ATOM 171 O3' DA A 6 -2.327 -9.201 9.045 1.00 0.47 O ATOM 172 C2' DA A 6 -2.748 -8.395 6.820 1.00 0.36 C ATOM 173 C1' DA A 6 -2.290 -7.149 6.045 1.00 0.28 C ATOM 174 N9 DA A 6 -1.415 -7.350 4.862 1.00 0.24 N ATOM 175 C8 DA A 6 -0.092 -7.061 4.739 1.00 0.23 C ATOM 176 N7 DA A 6 0.420 -7.345 3.576 1.00 0.24 N ATOM 177 C5 DA A 6 -0.651 -7.863 2.861 1.00 0.23 C ATOM 178 C6 DA A 6 -0.778 -8.352 1.549 1.00 0.25 C ATOM 179 N6 DA A 6 0.221 -8.402 0.669 1.00 0.25 N ATOM 180 N1 DA A 6 -1.984 -8.780 1.174 1.00 0.27 N ATOM 181 C2 DA A 6 -2.996 -8.733 2.030 1.00 0.28 C ATOM 182 N3 DA A 6 -3.004 -8.302 3.285 1.00 0.27 N ATOM 183 C4 DA A 6 -1.776 -7.872 3.639 1.00 0.23 C ATOM 0 H5' DA A 6 -0.780 -5.285 9.458 1.00 0.43 H new ATOM 0 H5'' DA A 6 -0.965 -6.777 10.359 1.00 0.43 H new ATOM 0 H4' DA A 6 -2.627 -6.547 8.907 1.00 0.37 H new ATOM 0 H3' DA A 6 -0.798 -8.728 7.871 1.00 0.37 H new ATOM 0 H2' DA A 6 -2.630 -9.309 6.238 1.00 0.36 H new ATOM 0 H2'' DA A 6 -3.796 -8.337 7.113 1.00 0.36 H new ATOM 0 H1' DA A 6 -3.181 -6.719 5.588 1.00 0.28 H new ATOM 0 H8 DA A 6 0.488 -6.630 5.542 1.00 0.23 H new ATOM 0 H61 DA A 6 0.057 -8.770 -0.268 1.00 0.25 H new ATOM 0 H62 DA A 6 1.150 -8.072 0.932 1.00 0.25 H new ATOM 0 H2 DA A 6 -3.942 -9.095 1.655 1.00 0.28 H new ATOM 195 P DT A 7 -1.921 -10.752 9.162 1.00 0.54 P ATOM 196 OP1 DT A 7 -2.486 -11.280 10.425 1.00 0.68 O ATOM 197 OP2 DT A 7 -0.470 -10.871 8.901 1.00 0.59 O ATOM 198 O5' DT A 7 -2.711 -11.454 7.950 1.00 0.67 O ATOM 199 C5' DT A 7 -4.139 -11.624 7.831 1.00 0.71 C ATOM 200 C4' DT A 7 -4.398 -12.193 6.419 1.00 0.69 C ATOM 201 O4' DT A 7 -3.814 -11.341 5.417 1.00 0.62 O ATOM 202 C3' DT A 7 -3.825 -13.545 6.177 1.00 0.73 C ATOM 203 O3' DT A 7 -4.794 -14.517 6.499 1.00 0.89 O ATOM 204 C2' DT A 7 -3.392 -13.585 4.712 1.00 0.70 C ATOM 205 C1' DT A 7 -3.229 -12.107 4.339 1.00 0.61 C ATOM 206 N1 DT A 7 -1.814 -11.689 4.166 1.00 0.53 N ATOM 207 C2 DT A 7 -1.342 -11.459 2.883 1.00 0.59 C ATOM 208 O2 DT A 7 -2.015 -11.616 1.864 1.00 0.69 O ATOM 209 N3 DT A 7 -0.023 -11.049 2.807 1.00 0.61 N ATOM 210 C4 DT A 7 0.835 -10.859 3.873 1.00 0.56 C ATOM 211 O4 DT A 7 1.987 -10.495 3.662 1.00 0.66 O ATOM 212 C5 DT A 7 0.246 -11.129 5.166 1.00 0.47 C ATOM 213 C7 DT A 7 1.072 -10.970 6.454 1.00 0.46 C ATOM 214 C6 DT A 7 -1.021 -11.524 5.250 1.00 0.47 C ATOM 0 H5' DT A 7 -4.655 -10.674 7.967 1.00 0.71 H new ATOM 0 H5'' DT A 7 -4.514 -12.303 8.597 1.00 0.71 H new ATOM 0 H4' DT A 7 -5.485 -12.252 6.356 1.00 0.69 H new ATOM 0 H3' DT A 7 -2.957 -13.757 6.801 1.00 0.73 H new ATOM 0 H2' DT A 7 -2.459 -14.135 4.585 1.00 0.70 H new ATOM 0 H2'' DT A 7 -4.139 -14.075 4.087 1.00 0.70 H new ATOM 0 HO3' DT A 7 -4.426 -15.411 6.341 1.00 0.89 H new ATOM 0 H1' DT A 7 -3.715 -11.938 3.378 1.00 0.61 H new ATOM 0 H3 DT A 7 0.352 -10.870 1.875 1.00 0.61 H new ATOM 0 H71 DT A 7 0.414 -10.690 7.276 1.00 0.46 H new ATOM 0 H72 DT A 7 1.565 -11.913 6.689 1.00 0.46 H new ATOM 0 H73 DT A 7 1.824 -10.194 6.311 1.00 0.46 H new ATOM 0 H6 DT A 7 -1.436 -11.722 6.227 1.00 0.47 H new TER 228 DT A 7 ATOM 229 O5' DG B 1 -8.071 -3.456 -0.496 1.00 0.52 O ATOM 230 C5' DG B 1 -8.129 -2.317 -1.387 1.00 0.47 C ATOM 231 C4' DG B 1 -6.706 -1.810 -1.886 1.00 0.32 C ATOM 232 O4' DG B 1 -5.904 -1.237 -0.835 1.00 0.31 O ATOM 233 C3' DG B 1 -5.719 -2.724 -2.629 1.00 0.28 C ATOM 234 O3' DG B 1 -4.887 -1.990 -3.540 1.00 0.28 O ATOM 235 C2' DG B 1 -4.840 -3.219 -1.472 1.00 0.26 C ATOM 236 C1' DG B 1 -4.625 -1.893 -0.737 1.00 0.23 C ATOM 237 N9 DG B 1 -4.417 -1.914 0.733 1.00 0.21 N ATOM 238 C8 DG B 1 -3.501 -1.226 1.490 1.00 0.22 C ATOM 239 N7 DG B 1 -3.601 -1.447 2.771 1.00 0.27 N ATOM 240 C5 DG B 1 -4.651 -2.339 2.881 1.00 0.25 C ATOM 241 C6 DG B 1 -5.218 -2.935 4.037 1.00 0.30 C ATOM 242 O6 DG B 1 -4.885 -2.774 5.205 1.00 0.40 O ATOM 243 N1 DG B 1 -6.266 -3.779 3.715 1.00 0.32 N ATOM 244 C2 DG B 1 -6.708 -4.017 2.442 1.00 0.33 C ATOM 245 N2 DG B 1 -7.728 -4.843 2.295 1.00 0.41 N ATOM 246 N3 DG B 1 -6.180 -3.462 1.358 1.00 0.31 N ATOM 247 C4 DG B 1 -5.157 -2.633 1.645 1.00 0.24 C ATOM 0 H5' DG B 1 -8.637 -1.497 -0.879 1.00 0.47 H new ATOM 0 H5'' DG B 1 -8.734 -2.579 -2.255 1.00 0.47 H new ATOM 0 H4' DG B 1 -7.111 -1.124 -2.630 1.00 0.32 H new ATOM 0 H3' DG B 1 -6.219 -3.492 -3.220 1.00 0.28 H new ATOM 0 H2' DG B 1 -5.341 -3.965 -0.854 1.00 0.26 H new ATOM 0 H2'' DG B 1 -3.906 -3.664 -1.815 1.00 0.26 H new ATOM 0 HO5' DG B 1 -7.715 -3.174 0.373 1.00 0.52 H new ATOM 0 H1' DG B 1 -3.728 -1.464 -1.183 1.00 0.23 H new ATOM 0 H8 DG B 1 -2.764 -0.562 1.063 1.00 0.22 H new ATOM 0 H1 DG B 1 -6.742 -4.257 4.480 1.00 0.32 H new ATOM 0 H21 DG B 1 -8.088 -5.048 1.363 1.00 0.41 H new ATOM 0 H22 DG B 1 -8.155 -5.276 3.114 1.00 0.41 H new ATOM 260 P DG B 2 -4.304 -2.642 -4.893 1.00 0.33 P ATOM 261 OP1 DG B 2 -3.708 -1.529 -5.671 1.00 0.43 O ATOM 262 OP2 DG B 2 -5.366 -3.477 -5.505 1.00 0.47 O ATOM 263 O5' DG B 2 -3.107 -3.603 -4.363 1.00 0.30 O ATOM 264 C5' DG B 2 -1.766 -3.088 -4.183 1.00 0.26 C ATOM 265 C4' DG B 2 -0.907 -3.796 -3.030 1.00 0.22 C ATOM 266 O4' DG B 2 -1.516 -3.718 -1.704 1.00 0.23 O ATOM 267 C3' DG B 2 -0.589 -5.325 -3.181 1.00 0.23 C ATOM 268 O3' DG B 2 0.599 -5.981 -2.668 1.00 0.30 O ATOM 269 C2' DG B 2 -1.630 -5.899 -2.253 1.00 0.22 C ATOM 270 C1' DG B 2 -1.332 -4.993 -1.049 1.00 0.23 C ATOM 271 N9 DG B 2 -2.245 -5.279 0.093 1.00 0.23 N ATOM 272 C8 DG B 2 -3.476 -5.902 0.048 1.00 0.26 C ATOM 273 N7 DG B 2 -4.061 -6.007 1.188 1.00 0.30 N ATOM 274 C5 DG B 2 -3.177 -5.428 2.077 1.00 0.28 C ATOM 275 C6 DG B 2 -3.313 -5.272 3.468 1.00 0.32 C ATOM 276 O6 DG B 2 -4.224 -5.633 4.211 1.00 0.40 O ATOM 277 N1 DG B 2 -2.221 -4.647 3.995 1.00 0.31 N ATOM 278 C2 DG B 2 -1.127 -4.220 3.308 1.00 0.30 C ATOM 279 N2 DG B 2 -0.186 -3.687 4.067 1.00 0.35 N ATOM 280 N3 DG B 2 -0.968 -4.349 1.996 1.00 0.26 N ATOM 281 C4 DG B 2 -2.047 -4.971 1.435 1.00 0.24 C ATOM 0 H5' DG B 2 -1.831 -2.023 -3.962 1.00 0.26 H new ATOM 0 H5'' DG B 2 -1.228 -3.186 -5.126 1.00 0.26 H new ATOM 0 H4' DG B 2 0.007 -3.212 -3.142 1.00 0.22 H new ATOM 0 H3' DG B 2 -0.514 -5.468 -4.259 1.00 0.23 H new ATOM 0 H2' DG B 2 -2.647 -5.791 -2.630 1.00 0.22 H new ATOM 0 H2'' DG B 2 -1.479 -6.958 -2.041 1.00 0.22 H new ATOM 0 H1' DG B 2 -0.363 -5.097 -0.561 1.00 0.23 H new ATOM 0 H8 DG B 2 -3.912 -6.271 -0.869 1.00 0.26 H new ATOM 0 H1 DG B 2 -2.225 -4.484 5.002 1.00 0.31 H new ATOM 0 H21 DG B 2 0.674 -3.337 3.644 1.00 0.35 H new ATOM 0 H22 DG B 2 -0.319 -3.625 5.076 1.00 0.35 H new ATOM 293 P DA B 3 1.075 -7.426 -3.253 1.00 0.37 P ATOM 294 OP1 DA B 3 0.149 -7.834 -4.335 1.00 0.46 O ATOM 295 OP2 DA B 3 1.324 -8.319 -2.097 1.00 0.63 O ATOM 296 O5' DA B 3 2.496 -6.974 -3.885 1.00 0.53 O ATOM 297 C5' DA B 3 2.636 -5.706 -4.555 1.00 0.43 C ATOM 298 C4' DA B 3 3.680 -4.758 -3.830 1.00 0.31 C ATOM 299 O4' DA B 3 3.256 -4.519 -2.464 1.00 0.27 O ATOM 300 C3' DA B 3 5.185 -5.142 -3.691 1.00 0.35 C ATOM 301 O3' DA B 3 6.143 -4.080 -3.470 1.00 0.43 O ATOM 302 C2' DA B 3 5.157 -5.857 -2.352 1.00 0.37 C ATOM 303 C1' DA B 3 4.312 -4.868 -1.547 1.00 0.31 C ATOM 304 N9 DA B 3 3.756 -5.545 -0.362 1.00 0.32 N ATOM 305 C8 DA B 3 2.689 -6.384 -0.279 1.00 0.33 C ATOM 306 N7 DA B 3 2.468 -6.863 0.913 1.00 0.35 N ATOM 307 C5 DA B 3 3.473 -6.288 1.674 1.00 0.36 C ATOM 308 C6 DA B 3 3.813 -6.383 3.023 1.00 0.40 C ATOM 309 N6 DA B 3 3.153 -7.112 3.895 1.00 0.40 N ATOM 310 N1 DA B 3 4.860 -5.689 3.451 1.00 0.43 N ATOM 311 C2 DA B 3 5.529 -4.942 2.595 1.00 0.41 C ATOM 312 N3 DA B 3 5.321 -4.763 1.300 1.00 0.38 N ATOM 313 C4 DA B 3 4.258 -5.481 0.903 1.00 0.35 C ATOM 0 H5' DA B 3 1.666 -5.210 -4.598 1.00 0.43 H new ATOM 0 H5'' DA B 3 2.954 -5.874 -5.584 1.00 0.43 H new ATOM 0 H4' DA B 3 3.662 -3.925 -4.533 1.00 0.31 H new ATOM 0 H3' DA B 3 5.498 -5.637 -4.610 1.00 0.35 H new ATOM 0 H2' DA B 3 4.698 -6.844 -2.415 1.00 0.37 H new ATOM 0 H2'' DA B 3 6.153 -5.995 -1.931 1.00 0.37 H new ATOM 0 H1' DA B 3 4.870 -4.003 -1.188 1.00 0.31 H new ATOM 0 H8 DA B 3 2.075 -6.633 -1.132 1.00 0.33 H new ATOM 0 H61 DA B 3 3.454 -7.139 4.869 1.00 0.40 H new ATOM 0 H62 DA B 3 2.340 -7.651 3.597 1.00 0.40 H new ATOM 0 H2 DA B 3 6.366 -4.399 3.009 1.00 0.41 H new ATOM 325 P DG B 4 7.260 -3.579 -4.534 1.00 0.40 P ATOM 326 OP1 DG B 4 7.654 -4.747 -5.360 1.00 0.57 O ATOM 327 OP2 DG B 4 8.296 -2.823 -3.792 1.00 0.61 O ATOM 328 O5' DG B 4 6.402 -2.537 -5.452 1.00 0.43 O ATOM 329 C5' DG B 4 5.755 -2.948 -6.676 1.00 0.38 C ATOM 330 C4' DG B 4 4.602 -2.069 -7.215 1.00 0.45 C ATOM 331 O4' DG B 4 3.425 -2.051 -6.375 1.00 0.41 O ATOM 332 C3' DG B 4 4.863 -0.612 -7.598 1.00 0.52 C ATOM 333 O3' DG B 4 4.172 -0.160 -8.785 1.00 0.58 O ATOM 334 C2' DG B 4 4.324 0.015 -6.315 1.00 0.45 C ATOM 335 C1' DG B 4 2.968 -0.696 -6.207 1.00 0.38 C ATOM 336 N9 DG B 4 2.302 -0.590 -4.878 1.00 0.31 N ATOM 337 C8 DG B 4 2.803 -0.971 -3.662 1.00 0.32 C ATOM 338 N7 DG B 4 2.006 -0.769 -2.653 1.00 0.34 N ATOM 339 C5 DG B 4 0.880 -0.206 -3.243 1.00 0.29 C ATOM 340 C6 DG B 4 -0.329 0.230 -2.643 1.00 0.30 C ATOM 341 O6 DG B 4 -0.648 0.198 -1.459 1.00 0.41 O ATOM 342 N1 DG B 4 -1.208 0.734 -3.574 1.00 0.28 N ATOM 343 C2 DG B 4 -0.969 0.815 -4.915 1.00 0.29 C ATOM 344 N2 DG B 4 -1.949 1.320 -5.649 1.00 0.37 N ATOM 345 N3 DG B 4 0.152 0.419 -5.503 1.00 0.31 N ATOM 346 C4 DG B 4 1.041 -0.086 -4.603 1.00 0.28 C ATOM 0 H5' DG B 4 5.366 -3.955 -6.527 1.00 0.38 H new ATOM 0 H5'' DG B 4 6.518 -3.012 -7.452 1.00 0.38 H new ATOM 0 H4' DG B 4 4.462 -2.615 -8.148 1.00 0.45 H new ATOM 0 H3' DG B 4 5.891 -0.377 -7.875 1.00 0.52 H new ATOM 0 H2' DG B 4 4.965 -0.182 -5.456 1.00 0.45 H new ATOM 0 H2'' DG B 4 4.220 1.097 -6.394 1.00 0.45 H new ATOM 0 H1' DG B 4 2.227 -0.296 -6.899 1.00 0.38 H new ATOM 0 H8 DG B 4 3.785 -1.406 -3.549 1.00 0.32 H new ATOM 0 H1 DG B 4 -2.108 1.073 -3.235 1.00 0.28 H new ATOM 0 H21 DG B 4 -1.836 1.409 -6.659 1.00 0.37 H new ATOM 0 H22 DG B 4 -2.817 1.620 -5.204 1.00 0.37 H new ATOM 358 P DG B 5 4.762 1.052 -9.690 1.00 0.70 P ATOM 359 OP1 DG B 5 4.143 1.002 -11.035 1.00 0.89 O ATOM 360 OP2 DG B 5 6.238 1.030 -9.554 1.00 0.87 O ATOM 361 O5' DG B 5 4.184 2.313 -8.853 1.00 0.59 O ATOM 362 C5' DG B 5 2.765 2.542 -8.716 1.00 0.50 C ATOM 363 C4' DG B 5 2.369 3.474 -7.507 1.00 0.44 C ATOM 364 O4' DG B 5 2.630 2.921 -6.179 1.00 0.40 O ATOM 365 C3' DG B 5 2.928 4.901 -7.411 1.00 0.45 C ATOM 366 O3' DG B 5 1.957 5.860 -6.869 1.00 0.54 O ATOM 367 C2' DG B 5 4.029 4.706 -6.361 1.00 0.44 C ATOM 368 C1' DG B 5 3.242 3.913 -5.319 1.00 0.37 C ATOM 369 N9 DG B 5 4.069 3.316 -4.220 1.00 0.34 N ATOM 370 C8 DG B 5 5.416 3.029 -4.212 1.00 0.38 C ATOM 371 N7 DG B 5 5.850 2.494 -3.112 1.00 0.37 N ATOM 372 C5 DG B 5 4.725 2.417 -2.304 1.00 0.31 C ATOM 373 C6 DG B 5 4.595 1.921 -0.971 1.00 0.30 C ATOM 374 O6 DG B 5 5.448 1.441 -0.229 1.00 0.34 O ATOM 375 N1 DG B 5 3.299 2.032 -0.529 1.00 0.27 N ATOM 376 C2 DG B 5 2.275 2.546 -1.268 1.00 0.26 C ATOM 377 N2 DG B 5 1.121 2.595 -0.659 1.00 0.27 N ATOM 378 N3 DG B 5 2.359 3.012 -2.508 1.00 0.27 N ATOM 379 C4 DG B 5 3.626 2.918 -2.968 1.00 0.30 C ATOM 0 H5' DG B 5 2.264 1.581 -8.597 1.00 0.50 H new ATOM 0 H5'' DG B 5 2.390 2.985 -9.639 1.00 0.50 H new ATOM 0 H4' DG B 5 1.315 3.527 -7.778 1.00 0.44 H new ATOM 0 H3' DG B 5 3.229 5.296 -8.381 1.00 0.45 H new ATOM 0 H2' DG B 5 4.885 4.154 -6.749 1.00 0.44 H new ATOM 0 H2'' DG B 5 4.408 5.650 -5.971 1.00 0.44 H new ATOM 0 H1' DG B 5 2.549 4.519 -4.735 1.00 0.37 H new ATOM 0 H8 DG B 5 6.060 3.233 -5.054 1.00 0.38 H new ATOM 0 H1 DG B 5 3.089 1.708 0.415 1.00 0.27 H new ATOM 0 H21 DG B 5 0.304 2.967 -1.144 1.00 0.27 H new ATOM 0 H22 DG B 5 1.037 2.262 0.301 1.00 0.27 H new ATOM 391 P DA B 6 1.552 7.212 -7.657 1.00 0.40 P ATOM 392 OP1 DA B 6 2.818 7.714 -8.220 1.00 0.79 O ATOM 393 OP2 DA B 6 0.750 8.096 -6.777 1.00 0.59 O ATOM 394 O5' DA B 6 0.643 6.718 -8.906 1.00 0.74 O ATOM 395 C5' DA B 6 -0.752 6.379 -9.109 1.00 0.42 C ATOM 396 C4' DA B 6 -1.879 6.825 -8.088 1.00 0.38 C ATOM 397 O4' DA B 6 -1.776 6.255 -6.767 1.00 0.34 O ATOM 398 C3' DA B 6 -2.024 8.304 -7.767 1.00 0.38 C ATOM 399 O3' DA B 6 -2.554 9.122 -8.809 1.00 0.48 O ATOM 400 C2' DA B 6 -3.013 8.304 -6.603 1.00 0.35 C ATOM 401 C1' DA B 6 -2.505 7.074 -5.809 1.00 0.28 C ATOM 402 N9 DA B 6 -1.666 7.318 -4.606 1.00 0.26 N ATOM 403 C8 DA B 6 -0.332 7.095 -4.449 1.00 0.26 C ATOM 404 N7 DA B 6 0.133 7.398 -3.270 1.00 0.26 N ATOM 405 C5 DA B 6 -0.981 7.858 -2.584 1.00 0.25 C ATOM 406 C6 DA B 6 -1.166 8.341 -1.274 1.00 0.26 C ATOM 407 N6 DA B 6 -0.193 8.443 -0.372 1.00 0.26 N ATOM 408 N1 DA B 6 -2.402 8.709 -0.934 1.00 0.27 N ATOM 409 C2 DA B 6 -3.387 8.611 -1.816 1.00 0.29 C ATOM 410 N3 DA B 6 -3.340 8.178 -3.070 1.00 0.28 N ATOM 411 C4 DA B 6 -2.084 7.812 -3.392 1.00 0.25 C ATOM 0 H5' DA B 6 -0.805 5.293 -9.181 1.00 0.42 H new ATOM 0 H5'' DA B 6 -1.034 6.778 -10.083 1.00 0.42 H new ATOM 0 H4' DA B 6 -2.720 6.462 -8.679 1.00 0.38 H new ATOM 0 H3' DA B 6 -1.039 8.730 -7.576 1.00 0.38 H new ATOM 0 H2' DA B 6 -2.968 9.223 -6.019 1.00 0.35 H new ATOM 0 H2'' DA B 6 -4.045 8.188 -6.934 1.00 0.35 H new ATOM 0 H1' DA B 6 -3.387 6.601 -5.377 1.00 0.28 H new ATOM 0 H8 DA B 6 0.290 6.699 -5.238 1.00 0.26 H new ATOM 0 H61 DA B 6 -0.398 8.802 0.561 1.00 0.26 H new ATOM 0 H62 DA B 6 0.757 8.162 -0.613 1.00 0.26 H new ATOM 0 H2 DA B 6 -4.359 8.926 -1.467 1.00 0.29 H new ATOM 423 P DT B 7 -2.222 10.690 -8.916 1.00 0.55 P ATOM 424 OP1 DT B 7 -2.782 11.190 -10.193 1.00 0.68 O ATOM 425 OP2 DT B 7 -0.785 10.880 -8.619 1.00 0.59 O ATOM 426 O5' DT B 7 -3.070 11.351 -7.721 1.00 0.66 O ATOM 427 C5' DT B 7 -4.505 11.431 -7.622 1.00 0.68 C ATOM 428 C4' DT B 7 -4.835 11.965 -6.239 1.00 0.67 C ATOM 429 O4' DT B 7 -4.198 11.164 -5.234 1.00 0.60 O ATOM 430 C3' DT B 7 -4.367 13.380 -5.992 1.00 0.72 C ATOM 431 O3' DT B 7 -5.354 14.343 -6.362 1.00 0.86 O ATOM 432 C2' DT B 7 -3.985 13.437 -4.506 1.00 0.74 C ATOM 433 C1' DT B 7 -3.723 11.966 -4.132 1.00 0.63 C ATOM 434 N1 DT B 7 -2.295 11.622 -3.921 1.00 0.55 N ATOM 435 C2 DT B 7 -1.847 11.421 -2.625 1.00 0.61 C ATOM 436 O2 DT B 7 -2.555 11.547 -1.626 1.00 0.70 O ATOM 437 N3 DT B 7 -0.513 11.079 -2.514 1.00 0.64 N ATOM 438 C4 DT B 7 0.382 10.928 -3.557 1.00 0.57 C ATOM 439 O4 DT B 7 1.546 10.624 -3.315 1.00 0.67 O ATOM 440 C5 DT B 7 -0.184 11.163 -4.867 1.00 0.48 C ATOM 441 C7 DT B 7 0.679 11.038 -6.137 1.00 0.46 C ATOM 442 C6 DT B 7 -1.466 11.492 -4.986 1.00 0.49 C ATOM 0 H5' DT B 7 -4.956 10.450 -7.772 1.00 0.68 H new ATOM 0 H5'' DT B 7 -4.907 12.088 -8.393 1.00 0.68 H new ATOM 0 H4' DT B 7 -5.923 11.935 -6.187 1.00 0.67 H new ATOM 0 H3' DT B 7 -3.509 13.637 -6.614 1.00 0.72 H new ATOM 0 H2' DT B 7 -3.101 14.053 -4.345 1.00 0.74 H new ATOM 0 H2'' DT B 7 -4.786 13.865 -3.904 1.00 0.74 H new ATOM 0 HO3' DT B 7 -5.014 15.245 -6.185 1.00 0.86 H new ATOM 0 H1' DT B 7 -4.231 11.782 -3.185 1.00 0.63 H new ATOM 0 H3 DT B 7 -0.154 10.923 -1.572 1.00 0.64 H new ATOM 0 H71 DT B 7 0.054 10.723 -6.972 1.00 0.46 H new ATOM 0 H72 DT B 7 1.131 12.003 -6.366 1.00 0.46 H new ATOM 0 H73 DT B 7 1.464 10.299 -5.973 1.00 0.46 H new ATOM 0 H6 DT B 7 -1.865 11.663 -5.975 1.00 0.49 H new TER 456 DT B 7