USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 251 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.3 (180deg=-0.61) USER MOD Single : A 5 DT C7 :methyl 150:sc= -0.342 (180deg=-0.342) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 16 DT C7 :methyl -30:sc= -0.806 (180deg=-0.982) USER MOD Single : A 17 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 22 DT C7 :methyl 150:sc= -0.757 (180deg=-0.757) USER MOD Single : A 22 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -0.642 -4.493 8.420 1.00 0.41 O ATOM 2 C5' DG A 1 0.278 -3.759 7.609 1.00 0.33 C ATOM 3 C4' DG A 1 0.986 -2.664 8.408 1.00 0.25 C ATOM 4 O4' DG A 1 1.872 -1.943 7.544 1.00 0.21 O ATOM 5 C3' DG A 1 0.048 -1.629 9.019 1.00 0.18 C ATOM 6 O3' DG A 1 0.665 -1.057 10.183 1.00 0.15 O ATOM 7 C2' DG A 1 -0.057 -0.592 7.916 1.00 0.13 C ATOM 8 C1' DG A 1 1.358 -0.614 7.354 1.00 0.14 C ATOM 9 N9 DG A 1 1.436 -0.305 5.914 1.00 0.13 N ATOM 10 C8 DG A 1 1.935 0.814 5.302 1.00 0.12 C ATOM 11 N7 DG A 1 1.859 0.784 4.000 1.00 0.12 N ATOM 12 C5 DG A 1 1.264 -0.445 3.730 1.00 0.13 C ATOM 13 C6 DG A 1 0.924 -1.041 2.485 1.00 0.14 C ATOM 14 O6 DG A 1 1.090 -0.591 1.350 1.00 0.15 O ATOM 15 N1 DG A 1 0.342 -2.288 2.662 1.00 0.16 N ATOM 16 C2 DG A 1 0.114 -2.891 3.877 1.00 0.16 C ATOM 17 N2 DG A 1 -0.454 -4.092 3.848 1.00 0.19 N ATOM 18 N3 DG A 1 0.433 -2.335 5.045 1.00 0.15 N ATOM 19 C4 DG A 1 1.002 -1.117 4.895 1.00 0.13 C ATOM 0 H5' DG A 1 -0.254 -3.311 6.770 1.00 0.33 H new ATOM 0 H5'' DG A 1 1.018 -4.441 7.190 1.00 0.33 H new ATOM 0 H4' DG A 1 1.499 -3.184 9.217 1.00 0.25 H new ATOM 0 H3' DG A 1 -0.917 -2.027 9.333 1.00 0.18 H new ATOM 0 H2' DG A 1 -0.802 -0.862 7.167 1.00 0.13 H new ATOM 0 H2'' DG A 1 -0.332 0.390 8.300 1.00 0.13 H new ATOM 0 HO5' DG A 1 -1.078 -5.183 7.878 1.00 0.41 H new ATOM 0 H1' DG A 1 1.928 0.155 7.876 1.00 0.14 H new ATOM 0 H8 DG A 1 2.354 1.646 5.848 1.00 0.12 H new ATOM 0 H1 DG A 1 0.061 -2.798 1.825 1.00 0.16 H new ATOM 0 H21 DG A 1 -0.647 -4.586 4.719 1.00 0.19 H new ATOM 0 H22 DG A 1 -0.697 -4.520 2.954 1.00 0.19 H new ATOM 32 P DG A 2 -0.018 0.172 10.979 1.00 0.09 P ATOM 33 OP1 DG A 2 0.768 0.407 12.211 1.00 0.11 O ATOM 34 OP2 DG A 2 -1.474 -0.080 11.069 1.00 0.16 O ATOM 35 O5' DG A 2 0.232 1.418 9.986 1.00 0.11 O ATOM 36 C5' DG A 2 -0.780 2.410 9.769 1.00 0.16 C ATOM 37 C4' DG A 2 -0.351 3.439 8.719 1.00 0.22 C ATOM 38 O4' DG A 2 -0.077 2.773 7.479 1.00 0.18 O ATOM 39 C3' DG A 2 -1.409 4.512 8.438 1.00 0.31 C ATOM 40 O3' DG A 2 -0.795 5.809 8.413 1.00 0.40 O ATOM 41 C2' DG A 2 -1.937 4.167 7.054 1.00 0.29 C ATOM 42 C1' DG A 2 -0.748 3.462 6.427 1.00 0.23 C ATOM 43 N9 DG A 2 -1.117 2.466 5.404 1.00 0.18 N ATOM 44 C8 DG A 2 -1.734 1.254 5.575 1.00 0.17 C ATOM 45 N7 DG A 2 -1.934 0.601 4.465 1.00 0.16 N ATOM 46 C5 DG A 2 -1.411 1.442 3.487 1.00 0.16 C ATOM 47 C6 DG A 2 -1.342 1.268 2.079 1.00 0.19 C ATOM 48 O6 DG A 2 -1.739 0.319 1.406 1.00 0.23 O ATOM 49 N1 DG A 2 -0.739 2.352 1.464 1.00 0.21 N ATOM 50 C2 DG A 2 -0.256 3.465 2.111 1.00 0.20 C ATOM 51 N2 DG A 2 0.299 4.400 1.345 1.00 0.23 N ATOM 52 N3 DG A 2 -0.319 3.634 3.431 1.00 0.19 N ATOM 53 C4 DG A 2 -0.907 2.585 4.053 1.00 0.17 C ATOM 0 H5' DG A 2 -0.998 2.918 10.708 1.00 0.16 H new ATOM 0 H5'' DG A 2 -1.702 1.925 9.447 1.00 0.16 H new ATOM 0 H4' DG A 2 0.530 3.932 9.129 1.00 0.22 H new ATOM 0 H3' DG A 2 -2.193 4.536 9.195 1.00 0.31 H new ATOM 0 H2' DG A 2 -2.815 3.522 7.102 1.00 0.29 H new ATOM 0 H2'' DG A 2 -2.225 5.057 6.494 1.00 0.29 H new ATOM 0 H1' DG A 2 -0.137 4.216 5.930 1.00 0.23 H new ATOM 0 H8 DG A 2 -2.028 0.874 6.542 1.00 0.17 H new ATOM 0 H1 DG A 2 -0.645 2.323 0.449 1.00 0.21 H new ATOM 0 H21 DG A 2 0.675 5.249 1.768 1.00 0.23 H new ATOM 0 H22 DG A 2 0.348 4.268 0.335 1.00 0.23 H new ATOM 65 P DG A 3 -1.665 7.130 8.728 1.00 0.51 P ATOM 66 OP1 DG A 3 -0.734 8.213 9.125 1.00 0.63 O ATOM 67 OP2 DG A 3 -2.773 6.745 9.634 1.00 0.59 O ATOM 68 O5' DG A 3 -2.295 7.503 7.286 1.00 0.42 O ATOM 69 C5' DG A 3 -1.559 8.299 6.344 1.00 0.40 C ATOM 70 C4' DG A 3 -2.272 8.403 4.990 1.00 0.37 C ATOM 71 O4' DG A 3 -2.569 7.088 4.507 1.00 0.39 O ATOM 72 C3' DG A 3 -3.592 9.178 5.021 1.00 0.36 C ATOM 73 O3' DG A 3 -3.744 9.911 3.790 1.00 0.37 O ATOM 74 C2' DG A 3 -4.642 8.082 5.118 1.00 0.35 C ATOM 75 C1' DG A 3 -3.983 6.956 4.333 1.00 0.37 C ATOM 76 N9 DG A 3 -4.355 5.598 4.779 1.00 0.32 N ATOM 77 C8 DG A 3 -4.724 5.169 6.028 1.00 0.33 C ATOM 78 N7 DG A 3 -4.966 3.890 6.099 1.00 0.30 N ATOM 79 C5 DG A 3 -4.743 3.437 4.803 1.00 0.26 C ATOM 80 C6 DG A 3 -4.848 2.127 4.262 1.00 0.23 C ATOM 81 O6 DG A 3 -5.167 1.086 4.833 1.00 0.22 O ATOM 82 N1 DG A 3 -4.537 2.110 2.913 1.00 0.21 N ATOM 83 C2 DG A 3 -4.175 3.209 2.171 1.00 0.23 C ATOM 84 N2 DG A 3 -3.921 2.995 0.885 1.00 0.22 N ATOM 85 N3 DG A 3 -4.072 4.437 2.672 1.00 0.26 N ATOM 86 C4 DG A 3 -4.370 4.477 3.989 1.00 0.28 C ATOM 0 H5' DG A 3 -0.570 7.865 6.199 1.00 0.40 H new ATOM 0 H5'' DG A 3 -1.412 9.299 6.753 1.00 0.40 H new ATOM 0 H4' DG A 3 -1.583 8.950 4.346 1.00 0.37 H new ATOM 0 H3' DG A 3 -3.659 9.899 5.836 1.00 0.36 H new ATOM 0 H2' DG A 3 -4.844 7.798 6.151 1.00 0.35 H new ATOM 0 H2'' DG A 3 -5.593 8.385 4.679 1.00 0.35 H new ATOM 0 H1' DG A 3 -4.317 7.052 3.300 1.00 0.37 H new ATOM 0 H8 DG A 3 -4.807 5.831 6.877 1.00 0.33 H new ATOM 0 H1 DG A 3 -4.580 1.212 2.432 1.00 0.21 H new ATOM 0 H21 DG A 3 -3.648 3.772 0.283 1.00 0.22 H new ATOM 0 H22 DG A 3 -3.999 2.054 0.499 1.00 0.22 H new ATOM 98 P DT A 4 -5.066 10.793 3.487 1.00 0.37 P ATOM 99 OP1 DT A 4 -4.693 11.877 2.549 1.00 0.40 O ATOM 100 OP2 DT A 4 -5.708 11.125 4.779 1.00 0.37 O ATOM 101 O5' DT A 4 -6.012 9.744 2.700 1.00 0.37 O ATOM 102 C5' DT A 4 -7.171 10.188 1.977 1.00 0.36 C ATOM 103 C4' DT A 4 -6.940 10.197 0.462 1.00 0.35 C ATOM 104 O4' DT A 4 -5.806 11.017 0.154 1.00 0.35 O ATOM 105 C3' DT A 4 -6.674 8.810 -0.143 1.00 0.37 C ATOM 106 O3' DT A 4 -7.450 8.649 -1.343 1.00 0.36 O ATOM 107 C2' DT A 4 -5.193 8.837 -0.496 1.00 0.36 C ATOM 108 C1' DT A 4 -4.981 10.315 -0.772 1.00 0.34 C ATOM 109 N1 DT A 4 -3.590 10.786 -0.588 1.00 0.34 N ATOM 110 C2 DT A 4 -3.047 11.580 -1.584 1.00 0.32 C ATOM 111 O2 DT A 4 -3.676 11.890 -2.592 1.00 0.31 O ATOM 112 N3 DT A 4 -1.751 12.006 -1.382 1.00 0.33 N ATOM 113 C4 DT A 4 -0.961 11.717 -0.287 1.00 0.36 C ATOM 114 O4 DT A 4 0.184 12.153 -0.214 1.00 0.37 O ATOM 115 C5 DT A 4 -1.606 10.883 0.703 1.00 0.40 C ATOM 116 C7 DT A 4 -0.842 10.484 1.964 1.00 0.47 C ATOM 117 C6 DT A 4 -2.870 10.452 0.530 1.00 0.39 C ATOM 0 H5' DT A 4 -7.441 11.191 2.308 1.00 0.36 H new ATOM 0 H5'' DT A 4 -8.014 9.538 2.210 1.00 0.36 H new ATOM 0 H4' DT A 4 -7.865 10.579 0.030 1.00 0.35 H new ATOM 0 H3' DT A 4 -6.935 7.996 0.534 1.00 0.37 H new ATOM 0 H2' DT A 4 -4.569 8.478 0.322 1.00 0.36 H new ATOM 0 H2'' DT A 4 -4.966 8.220 -1.365 1.00 0.36 H new ATOM 0 H1' DT A 4 -5.224 10.493 -1.820 1.00 0.34 H new ATOM 0 H3 DT A 4 -1.337 12.589 -2.110 1.00 0.33 H new ATOM 0 H71 DT A 4 0.224 10.428 1.741 1.00 0.47 H new ATOM 0 H72 DT A 4 -1.011 11.228 2.743 1.00 0.47 H new ATOM 0 H73 DT A 4 -1.192 9.511 2.309 1.00 0.47 H new ATOM 0 H6 DT A 4 -3.326 9.831 1.287 1.00 0.39 H new ATOM 130 P DT A 5 -8.453 7.396 -1.516 1.00 0.36 P ATOM 131 OP1 DT A 5 -8.823 7.286 -2.945 1.00 0.39 O ATOM 132 OP2 DT A 5 -9.509 7.505 -0.484 1.00 0.36 O ATOM 133 O5' DT A 5 -7.511 6.143 -1.136 1.00 0.39 O ATOM 134 C5' DT A 5 -6.556 5.625 -2.071 1.00 0.40 C ATOM 135 C4' DT A 5 -6.692 4.112 -2.218 1.00 0.38 C ATOM 136 O4' DT A 5 -6.432 3.486 -0.960 1.00 0.44 O ATOM 137 C3' DT A 5 -8.082 3.660 -2.680 1.00 0.33 C ATOM 138 O3' DT A 5 -7.956 2.848 -3.854 1.00 0.30 O ATOM 139 C2' DT A 5 -8.631 2.827 -1.525 1.00 0.35 C ATOM 140 C1' DT A 5 -7.372 2.434 -0.771 1.00 0.34 C ATOM 141 N1 DT A 5 -7.571 2.266 0.686 1.00 0.32 N ATOM 142 C2 DT A 5 -7.747 0.981 1.167 1.00 0.29 C ATOM 143 O2 DT A 5 -7.755 0.001 0.429 1.00 0.30 O ATOM 144 N3 DT A 5 -7.926 0.864 2.530 1.00 0.30 N ATOM 145 C4 DT A 5 -7.945 1.902 3.442 1.00 0.36 C ATOM 146 O4 DT A 5 -8.104 1.677 4.637 1.00 0.39 O ATOM 147 C5 DT A 5 -7.757 3.209 2.852 1.00 0.40 C ATOM 148 C7 DT A 5 -7.772 4.449 3.745 1.00 0.49 C ATOM 149 C6 DT A 5 -7.580 3.351 1.524 1.00 0.37 C ATOM 0 H5' DT A 5 -5.547 5.872 -1.739 1.00 0.40 H new ATOM 0 H5'' DT A 5 -6.698 6.101 -3.041 1.00 0.40 H new ATOM 0 H4' DT A 5 -5.972 3.819 -2.983 1.00 0.38 H new ATOM 0 H3' DT A 5 -8.733 4.499 -2.925 1.00 0.33 H new ATOM 0 H2' DT A 5 -9.315 3.402 -0.900 1.00 0.35 H new ATOM 0 H2'' DT A 5 -9.180 1.955 -1.880 1.00 0.35 H new ATOM 0 H1' DT A 5 -7.042 1.470 -1.158 1.00 0.34 H new ATOM 0 H3 DT A 5 -8.057 -0.078 2.899 1.00 0.30 H new ATOM 0 H71 DT A 5 -7.130 5.217 3.313 1.00 0.49 H new ATOM 0 H72 DT A 5 -8.791 4.829 3.823 1.00 0.49 H new ATOM 0 H73 DT A 5 -7.406 4.187 4.738 1.00 0.49 H new ATOM 0 H6 DT A 5 -7.442 4.339 1.111 1.00 0.37 H new ATOM 162 P DA A 6 -8.291 3.459 -5.310 1.00 0.30 P ATOM 163 OP1 DA A 6 -9.532 4.260 -5.199 1.00 0.34 O ATOM 164 OP2 DA A 6 -8.211 2.366 -6.302 1.00 0.29 O ATOM 165 O5' DA A 6 -7.059 4.470 -5.567 1.00 0.30 O ATOM 166 C5' DA A 6 -5.816 4.000 -6.114 1.00 0.27 C ATOM 167 C4' DA A 6 -4.848 5.154 -6.393 1.00 0.20 C ATOM 168 O4' DA A 6 -4.482 5.783 -5.162 1.00 0.18 O ATOM 169 C3' DA A 6 -3.547 4.733 -7.070 1.00 0.20 C ATOM 170 O3' DA A 6 -3.077 5.805 -7.905 1.00 0.20 O ATOM 171 C2' DA A 6 -2.598 4.521 -5.901 1.00 0.20 C ATOM 172 C1' DA A 6 -3.082 5.582 -4.922 1.00 0.20 C ATOM 173 N9 DA A 6 -2.935 5.216 -3.500 1.00 0.20 N ATOM 174 C8 DA A 6 -3.276 4.045 -2.873 1.00 0.22 C ATOM 175 N7 DA A 6 -3.092 4.064 -1.582 1.00 0.21 N ATOM 176 C5 DA A 6 -2.592 5.340 -1.337 1.00 0.20 C ATOM 177 C6 DA A 6 -2.195 5.996 -0.163 1.00 0.19 C ATOM 178 N6 DA A 6 -2.248 5.436 1.043 1.00 0.19 N ATOM 179 N1 DA A 6 -1.746 7.256 -0.282 1.00 0.20 N ATOM 180 C2 DA A 6 -1.700 7.816 -1.484 1.00 0.21 C ATOM 181 N3 DA A 6 -2.046 7.309 -2.655 1.00 0.20 N ATOM 182 C4 DA A 6 -2.490 6.045 -2.502 1.00 0.20 C ATOM 0 H5' DA A 6 -6.008 3.455 -7.038 1.00 0.27 H new ATOM 0 H5'' DA A 6 -5.355 3.298 -5.419 1.00 0.27 H new ATOM 0 H4' DA A 6 -5.386 5.819 -7.069 1.00 0.20 H new ATOM 0 H3' DA A 6 -3.645 3.850 -7.702 1.00 0.20 H new ATOM 0 H2' DA A 6 -2.675 3.515 -5.487 1.00 0.20 H new ATOM 0 H2'' DA A 6 -1.556 4.670 -6.186 1.00 0.20 H new ATOM 0 H1' DA A 6 -2.468 6.467 -5.091 1.00 0.20 H new ATOM 0 H8 DA A 6 -3.662 3.185 -3.400 1.00 0.22 H new ATOM 0 H61 DA A 6 -1.945 5.962 1.863 1.00 0.19 H new ATOM 0 H62 DA A 6 -2.591 4.481 1.147 1.00 0.19 H new ATOM 0 H2 DA A 6 -1.327 8.829 -1.509 1.00 0.21 H new ATOM 194 P DG A 7 -1.685 5.691 -8.713 1.00 0.16 P ATOM 195 OP1 DG A 7 -1.808 6.475 -9.962 1.00 0.17 O ATOM 196 OP2 DG A 7 -1.299 4.263 -8.775 1.00 0.16 O ATOM 197 O5' DG A 7 -0.651 6.454 -7.737 1.00 0.15 O ATOM 198 C5' DG A 7 0.735 6.093 -7.710 1.00 0.12 C ATOM 199 C4' DG A 7 1.521 6.921 -6.692 1.00 0.12 C ATOM 200 O4' DG A 7 0.920 6.781 -5.398 1.00 0.14 O ATOM 201 C3' DG A 7 2.989 6.501 -6.562 1.00 0.10 C ATOM 202 O3' DG A 7 3.833 7.661 -6.511 1.00 0.12 O ATOM 203 C2' DG A 7 3.051 5.770 -5.234 1.00 0.11 C ATOM 204 C1' DG A 7 1.936 6.441 -4.452 1.00 0.12 C ATOM 205 N9 DG A 7 1.330 5.574 -3.424 1.00 0.12 N ATOM 206 C8 DG A 7 1.221 5.781 -2.074 1.00 0.11 C ATOM 207 N7 DG A 7 0.661 4.792 -1.432 1.00 0.12 N ATOM 208 C5 DG A 7 0.380 3.863 -2.429 1.00 0.14 C ATOM 209 C6 DG A 7 -0.231 2.582 -2.340 1.00 0.16 C ATOM 210 O6 DG A 7 -0.642 1.997 -1.341 1.00 0.18 O ATOM 211 N1 DG A 7 -0.325 1.978 -3.584 1.00 0.18 N ATOM 212 C2 DG A 7 0.112 2.532 -4.767 1.00 0.19 C ATOM 213 N2 DG A 7 -0.061 1.805 -5.864 1.00 0.23 N ATOM 214 N3 DG A 7 0.683 3.729 -4.853 1.00 0.16 N ATOM 215 C4 DG A 7 0.784 4.336 -3.649 1.00 0.14 C ATOM 0 H5' DG A 7 1.166 6.233 -8.701 1.00 0.12 H new ATOM 0 H5'' DG A 7 0.830 5.035 -7.468 1.00 0.12 H new ATOM 0 H4' DG A 7 1.493 7.949 -7.054 1.00 0.12 H new ATOM 0 H3' DG A 7 3.323 5.891 -7.401 1.00 0.10 H new ATOM 0 H2' DG A 7 2.881 4.699 -5.349 1.00 0.11 H new ATOM 0 H2'' DG A 7 4.019 5.889 -4.748 1.00 0.11 H new ATOM 0 H1' DG A 7 2.357 7.301 -3.931 1.00 0.12 H new ATOM 0 H8 DG A 7 1.567 6.680 -1.586 1.00 0.11 H new ATOM 0 H1 DG A 7 -0.751 1.052 -3.627 1.00 0.18 H new ATOM 0 H21 DG A 7 0.244 2.166 -6.768 1.00 0.23 H new ATOM 0 H22 DG A 7 -0.499 0.886 -5.803 1.00 0.23 H new ATOM 227 P DG A 8 5.418 7.506 -6.245 1.00 0.19 P ATOM 228 OP1 DG A 8 6.070 8.797 -6.564 1.00 0.24 O ATOM 229 OP2 DG A 8 5.877 6.262 -6.902 1.00 0.20 O ATOM 230 O5' DG A 8 5.490 7.287 -4.646 1.00 0.26 O ATOM 231 C5' DG A 8 5.142 8.343 -3.738 1.00 0.28 C ATOM 232 C4' DG A 8 5.224 7.887 -2.278 1.00 0.29 C ATOM 233 O4' DG A 8 4.313 6.796 -2.060 1.00 0.27 O ATOM 234 C3' DG A 8 6.615 7.397 -1.853 1.00 0.32 C ATOM 235 O3' DG A 8 6.903 7.842 -0.513 1.00 0.35 O ATOM 236 C2' DG A 8 6.472 5.883 -1.870 1.00 0.28 C ATOM 237 C1' DG A 8 5.030 5.739 -1.422 1.00 0.25 C ATOM 238 N9 DG A 8 4.390 4.455 -1.788 1.00 0.22 N ATOM 239 C8 DG A 8 4.317 3.840 -3.014 1.00 0.22 C ATOM 240 N7 DG A 8 3.676 2.703 -2.997 1.00 0.19 N ATOM 241 C5 DG A 8 3.297 2.552 -1.667 1.00 0.17 C ATOM 242 C6 DG A 8 2.572 1.504 -1.040 1.00 0.15 C ATOM 243 O6 DG A 8 2.114 0.485 -1.545 1.00 0.14 O ATOM 244 N1 DG A 8 2.404 1.739 0.313 1.00 0.15 N ATOM 245 C2 DG A 8 2.874 2.844 0.986 1.00 0.16 C ATOM 246 N2 DG A 8 2.616 2.896 2.286 1.00 0.16 N ATOM 247 N3 DG A 8 3.554 3.832 0.402 1.00 0.19 N ATOM 248 C4 DG A 8 3.729 3.619 -0.922 1.00 0.19 C ATOM 0 H5' DG A 8 4.132 8.690 -3.954 1.00 0.28 H new ATOM 0 H5'' DG A 8 5.810 9.190 -3.892 1.00 0.28 H new ATOM 0 H4' DG A 8 4.976 8.768 -1.686 1.00 0.29 H new ATOM 0 H3' DG A 8 7.416 7.765 -2.495 1.00 0.32 H new ATOM 0 H2' DG A 8 6.643 5.461 -2.860 1.00 0.28 H new ATOM 0 H2'' DG A 8 7.169 5.393 -1.190 1.00 0.28 H new ATOM 0 H1' DG A 8 5.012 5.774 -0.333 1.00 0.25 H new ATOM 0 H8 DG A 8 4.750 4.259 -3.910 1.00 0.22 H new ATOM 0 H1 DG A 8 1.893 1.040 0.853 1.00 0.15 H new ATOM 0 H21 DG A 8 2.939 3.690 2.839 1.00 0.16 H new ATOM 0 H22 DG A 8 2.095 2.142 2.733 1.00 0.16 H new ATOM 260 P DG A 9 7.579 9.281 -0.228 1.00 0.42 P ATOM 261 OP1 DG A 9 6.555 10.325 -0.459 1.00 0.63 O ATOM 262 OP2 DG A 9 8.869 9.340 -0.955 1.00 0.56 O ATOM 263 O5' DG A 9 7.889 9.219 1.356 1.00 0.38 O ATOM 264 C5' DG A 9 8.923 8.369 1.879 1.00 0.33 C ATOM 265 C4' DG A 9 8.395 7.432 2.968 1.00 0.25 C ATOM 266 O4' DG A 9 7.527 6.455 2.384 1.00 0.24 O ATOM 267 C3' DG A 9 9.494 6.665 3.723 1.00 0.21 C ATOM 268 O3' DG A 9 9.367 6.912 5.131 1.00 0.16 O ATOM 269 C2' DG A 9 9.213 5.191 3.429 1.00 0.23 C ATOM 270 C1' DG A 9 7.741 5.219 3.059 1.00 0.23 C ATOM 271 N9 DG A 9 7.319 4.126 2.159 1.00 0.26 N ATOM 272 C8 DG A 9 7.536 3.991 0.812 1.00 0.33 C ATOM 273 N7 DG A 9 7.014 2.912 0.296 1.00 0.35 N ATOM 274 C5 DG A 9 6.408 2.284 1.380 1.00 0.29 C ATOM 275 C6 DG A 9 5.679 1.064 1.436 1.00 0.29 C ATOM 276 O6 DG A 9 5.406 0.296 0.516 1.00 0.34 O ATOM 277 N1 DG A 9 5.244 0.791 2.726 1.00 0.25 N ATOM 278 C2 DG A 9 5.476 1.593 3.823 1.00 0.21 C ATOM 279 N2 DG A 9 4.977 1.170 4.979 1.00 0.20 N ATOM 280 N3 DG A 9 6.155 2.736 3.774 1.00 0.20 N ATOM 281 C4 DG A 9 6.592 3.019 2.525 1.00 0.24 C ATOM 0 H5' DG A 9 9.726 8.983 2.286 1.00 0.33 H new ATOM 0 H5'' DG A 9 9.352 7.779 1.069 1.00 0.33 H new ATOM 0 H4' DG A 9 7.881 8.077 3.681 1.00 0.25 H new ATOM 0 H3' DG A 9 10.498 6.963 3.420 1.00 0.21 H new ATOM 0 H2' DG A 9 9.831 4.812 2.615 1.00 0.23 H new ATOM 0 H2'' DG A 9 9.404 4.558 4.296 1.00 0.23 H new ATOM 0 H1' DG A 9 7.160 5.100 3.973 1.00 0.23 H new ATOM 0 H8 DG A 9 8.089 4.713 0.230 1.00 0.33 H new ATOM 0 H1 DG A 9 4.713 -0.067 2.873 1.00 0.25 H new ATOM 0 H21 DG A 9 5.116 1.721 5.826 1.00 0.20 H new ATOM 0 H22 DG A 9 4.455 0.295 5.019 1.00 0.20 H new ATOM 293 P DT A 10 10.602 6.633 6.133 1.00 0.13 P ATOM 294 OP1 DT A 10 10.331 7.331 7.411 1.00 0.15 O ATOM 295 OP2 DT A 10 11.859 6.906 5.399 1.00 0.21 O ATOM 296 O5' DT A 10 10.500 5.039 6.385 1.00 0.12 O ATOM 297 C5' DT A 10 10.642 4.483 7.702 1.00 0.21 C ATOM 298 C4' DT A 10 9.289 4.305 8.401 1.00 0.28 C ATOM 299 O4' DT A 10 8.557 5.536 8.347 1.00 0.30 O ATOM 300 C3' DT A 10 8.392 3.220 7.786 1.00 0.27 C ATOM 301 O3' DT A 10 7.868 2.386 8.840 1.00 0.26 O ATOM 302 C2' DT A 10 7.269 4.007 7.121 1.00 0.28 C ATOM 303 C1' DT A 10 7.205 5.238 8.008 1.00 0.29 C ATOM 304 N1 DT A 10 6.614 6.439 7.368 1.00 0.30 N ATOM 305 C2 DT A 10 6.717 7.641 8.048 1.00 0.42 C ATOM 306 O2 DT A 10 7.260 7.736 9.146 1.00 0.53 O ATOM 307 N3 DT A 10 6.156 8.739 7.430 1.00 0.47 N ATOM 308 C4 DT A 10 5.507 8.747 6.212 1.00 0.43 C ATOM 309 O4 DT A 10 5.045 9.792 5.760 1.00 0.51 O ATOM 310 C5 DT A 10 5.441 7.454 5.571 1.00 0.36 C ATOM 311 C7 DT A 10 4.750 7.317 4.213 1.00 0.45 C ATOM 312 C6 DT A 10 5.982 6.363 6.151 1.00 0.31 C ATOM 0 H5' DT A 10 11.277 5.133 8.303 1.00 0.21 H new ATOM 0 H5'' DT A 10 11.145 3.518 7.636 1.00 0.21 H new ATOM 0 H4' DT A 10 9.531 3.999 9.419 1.00 0.28 H new ATOM 0 H3' DT A 10 8.913 2.569 7.084 1.00 0.27 H new ATOM 0 H2' DT A 10 7.500 4.258 6.086 1.00 0.28 H new ATOM 0 H2'' DT A 10 6.329 3.456 7.114 1.00 0.28 H new ATOM 0 H1' DT A 10 6.559 5.011 8.856 1.00 0.29 H new ATOM 0 H3 DT A 10 6.228 9.631 7.920 1.00 0.47 H new ATOM 0 H71 DT A 10 5.214 6.508 3.649 1.00 0.45 H new ATOM 0 H72 DT A 10 3.693 7.096 4.363 1.00 0.45 H new ATOM 0 H73 DT A 10 4.850 8.250 3.658 1.00 0.45 H new ATOM 0 H6 DT A 10 5.917 5.410 5.648 1.00 0.31 H new ATOM 325 P DT A 11 6.596 1.416 8.602 1.00 0.18 P ATOM 326 OP1 DT A 11 5.382 2.257 8.505 1.00 0.31 O ATOM 327 OP2 DT A 11 6.650 0.322 9.600 1.00 0.20 O ATOM 328 O5' DT A 11 6.889 0.783 7.147 1.00 0.18 O ATOM 329 C5' DT A 11 7.548 -0.485 7.008 1.00 0.14 C ATOM 330 C4' DT A 11 6.992 -1.288 5.830 1.00 0.21 C ATOM 331 O4' DT A 11 7.170 -0.548 4.617 1.00 0.31 O ATOM 332 C3' DT A 11 7.665 -2.652 5.629 1.00 0.21 C ATOM 333 O3' DT A 11 6.662 -3.662 5.454 1.00 0.24 O ATOM 334 C2' DT A 11 8.462 -2.493 4.339 1.00 0.25 C ATOM 335 C1' DT A 11 7.653 -1.436 3.612 1.00 0.32 C ATOM 336 N1 DT A 11 8.428 -0.639 2.640 1.00 0.36 N ATOM 337 C2 DT A 11 8.195 -0.858 1.293 1.00 0.45 C ATOM 338 O2 DT A 11 7.371 -1.674 0.892 1.00 0.51 O ATOM 339 N3 DT A 11 8.939 -0.096 0.420 1.00 0.50 N ATOM 340 C4 DT A 11 9.881 0.853 0.763 1.00 0.48 C ATOM 341 O4 DT A 11 10.484 1.474 -0.107 1.00 0.54 O ATOM 342 C5 DT A 11 10.059 1.018 2.189 1.00 0.40 C ATOM 343 C7 DT A 11 11.068 2.038 2.709 1.00 0.41 C ATOM 344 C6 DT A 11 9.345 0.284 3.065 1.00 0.34 C ATOM 0 H5' DT A 11 7.430 -1.059 7.927 1.00 0.14 H new ATOM 0 H5'' DT A 11 8.617 -0.326 6.867 1.00 0.14 H new ATOM 0 H4' DT A 11 5.942 -1.461 6.066 1.00 0.21 H new ATOM 0 H3' DT A 11 8.287 -2.944 6.475 1.00 0.21 H new ATOM 0 H2' DT A 11 9.486 -2.169 4.527 1.00 0.25 H new ATOM 0 H2'' DT A 11 8.521 -3.424 3.776 1.00 0.25 H new ATOM 0 H1' DT A 11 6.873 -1.941 3.042 1.00 0.32 H new ATOM 0 H3 DT A 11 8.779 -0.247 -0.576 1.00 0.50 H new ATOM 0 H71 DT A 11 10.734 2.421 3.674 1.00 0.41 H new ATOM 0 H72 DT A 11 12.041 1.561 2.825 1.00 0.41 H new ATOM 0 H73 DT A 11 11.150 2.862 2.000 1.00 0.41 H new ATOM 0 H6 DT A 11 9.500 0.427 4.124 1.00 0.34 H new ATOM 357 P DA A 12 7.077 -5.211 5.276 1.00 0.25 P ATOM 358 OP1 DA A 12 5.872 -6.043 5.493 1.00 0.25 O ATOM 359 OP2 DA A 12 8.299 -5.458 6.077 1.00 0.27 O ATOM 360 O5' DA A 12 7.472 -5.299 3.712 1.00 0.25 O ATOM 361 C5' DA A 12 6.457 -5.261 2.699 1.00 0.27 C ATOM 362 C4' DA A 12 7.052 -5.250 1.288 1.00 0.25 C ATOM 363 O4' DA A 12 7.963 -4.153 1.163 1.00 0.30 O ATOM 364 C3' DA A 12 7.826 -6.519 0.917 1.00 0.24 C ATOM 365 O3' DA A 12 7.565 -6.850 -0.457 1.00 0.27 O ATOM 366 C2' DA A 12 9.281 -6.104 1.075 1.00 0.24 C ATOM 367 C1' DA A 12 9.204 -4.646 0.660 1.00 0.26 C ATOM 368 N9 DA A 12 10.279 -3.789 1.199 1.00 0.29 N ATOM 369 C8 DA A 12 10.807 -3.755 2.464 1.00 0.33 C ATOM 370 N7 DA A 12 11.738 -2.856 2.623 1.00 0.38 N ATOM 371 C5 DA A 12 11.834 -2.253 1.374 1.00 0.38 C ATOM 372 C6 DA A 12 12.643 -1.217 0.878 1.00 0.45 C ATOM 373 N6 DA A 12 13.547 -0.581 1.620 1.00 0.52 N ATOM 374 N1 DA A 12 12.481 -0.868 -0.408 1.00 0.46 N ATOM 375 C2 DA A 12 11.577 -1.506 -1.142 1.00 0.42 C ATOM 376 N3 DA A 12 10.761 -2.490 -0.795 1.00 0.35 N ATOM 377 C4 DA A 12 10.949 -2.816 0.501 1.00 0.33 C ATOM 0 H5' DA A 12 5.839 -4.374 2.838 1.00 0.27 H new ATOM 0 H5'' DA A 12 5.803 -6.126 2.809 1.00 0.27 H new ATOM 0 H4' DA A 12 6.197 -5.172 0.616 1.00 0.25 H new ATOM 0 H3' DA A 12 7.558 -7.384 1.523 1.00 0.24 H new ATOM 0 H2' DA A 12 9.637 -6.225 2.098 1.00 0.24 H new ATOM 0 H2'' DA A 12 9.948 -6.682 0.435 1.00 0.24 H new ATOM 0 H1' DA A 12 9.304 -4.608 -0.425 1.00 0.26 H new ATOM 0 H8 DA A 12 10.481 -4.413 3.256 1.00 0.33 H new ATOM 0 H61 DA A 12 14.109 0.165 1.211 1.00 0.52 H new ATOM 0 H62 DA A 12 13.677 -0.840 2.598 1.00 0.52 H new ATOM 0 H2 DA A 12 11.495 -1.176 -2.167 1.00 0.42 H new ATOM 389 P DG A 13 7.018 -8.310 -0.870 1.00 0.30 P ATOM 390 OP1 DG A 13 7.808 -9.321 -0.130 1.00 0.34 O ATOM 391 OP2 DG A 13 6.932 -8.377 -2.346 1.00 0.40 O ATOM 392 O5' DG A 13 5.522 -8.306 -0.281 1.00 0.21 O ATOM 393 C5' DG A 13 5.023 -9.417 0.472 1.00 0.16 C ATOM 394 C4' DG A 13 3.535 -9.267 0.772 1.00 0.08 C ATOM 395 O4' DG A 13 3.328 -8.096 1.567 1.00 0.08 O ATOM 396 C3' DG A 13 2.664 -9.133 -0.480 1.00 0.09 C ATOM 397 O3' DG A 13 1.480 -9.934 -0.336 1.00 0.11 O ATOM 398 C2' DG A 13 2.293 -7.655 -0.520 1.00 0.09 C ATOM 399 C1' DG A 13 2.328 -7.279 0.956 1.00 0.08 C ATOM 400 N9 DG A 13 2.694 -5.871 1.223 1.00 0.09 N ATOM 401 C8 DG A 13 2.954 -4.862 0.331 1.00 0.10 C ATOM 402 N7 DG A 13 3.293 -3.734 0.890 1.00 0.12 N ATOM 403 C5 DG A 13 3.253 -4.010 2.253 1.00 0.14 C ATOM 404 C6 DG A 13 3.530 -3.164 3.364 1.00 0.18 C ATOM 405 O6 DG A 13 3.879 -1.982 3.360 1.00 0.20 O ATOM 406 N1 DG A 13 3.371 -3.838 4.565 1.00 0.22 N ATOM 407 C2 DG A 13 2.994 -5.159 4.687 1.00 0.22 C ATOM 408 N2 DG A 13 2.893 -5.634 5.924 1.00 0.27 N ATOM 409 N3 DG A 13 2.735 -5.956 3.648 1.00 0.17 N ATOM 410 C4 DG A 13 2.885 -5.316 2.466 1.00 0.13 C ATOM 0 H5' DG A 13 5.577 -9.502 1.407 1.00 0.16 H new ATOM 0 H5'' DG A 13 5.192 -10.339 -0.084 1.00 0.16 H new ATOM 0 H4' DG A 13 3.239 -10.179 1.290 1.00 0.08 H new ATOM 0 H3' DG A 13 3.171 -9.463 -1.387 1.00 0.09 H new ATOM 0 H2' DG A 13 3.003 -7.072 -1.106 1.00 0.09 H new ATOM 0 H2'' DG A 13 1.308 -7.493 -0.959 1.00 0.09 H new ATOM 0 H1' DG A 13 1.322 -7.424 1.349 1.00 0.08 H new ATOM 0 H8 DG A 13 2.884 -4.990 -0.739 1.00 0.10 H new ATOM 0 H1 DG A 13 3.546 -3.317 5.424 1.00 0.22 H new ATOM 0 H21 DG A 13 2.618 -6.604 6.077 1.00 0.27 H new ATOM 0 H22 DG A 13 3.091 -5.028 6.721 1.00 0.27 H new ATOM 422 P DG A 14 1.585 -11.535 -0.151 1.00 0.11 P ATOM 423 OP1 DG A 14 1.079 -11.878 1.196 1.00 0.11 O ATOM 424 OP2 DG A 14 2.945 -11.961 -0.552 1.00 0.13 O ATOM 425 O5' DG A 14 0.540 -12.106 -1.246 1.00 0.11 O ATOM 426 C5' DG A 14 -0.682 -11.416 -1.575 1.00 0.10 C ATOM 427 C4' DG A 14 -1.649 -11.328 -0.388 1.00 0.09 C ATOM 428 O4' DG A 14 -1.209 -10.295 0.505 1.00 0.10 O ATOM 429 C3' DG A 14 -3.093 -10.982 -0.783 1.00 0.08 C ATOM 430 O3' DG A 14 -4.014 -11.674 0.079 1.00 0.08 O ATOM 431 C2' DG A 14 -3.176 -9.491 -0.523 1.00 0.10 C ATOM 432 C1' DG A 14 -2.288 -9.378 0.700 1.00 0.09 C ATOM 433 N9 DG A 14 -1.719 -8.035 0.932 1.00 0.09 N ATOM 434 C8 DG A 14 -1.594 -7.365 2.119 1.00 0.09 C ATOM 435 N7 DG A 14 -1.063 -6.182 2.007 1.00 0.09 N ATOM 436 C5 DG A 14 -0.815 -6.052 0.647 1.00 0.08 C ATOM 437 C6 DG A 14 -0.244 -4.970 -0.071 1.00 0.08 C ATOM 438 O6 DG A 14 0.156 -3.895 0.363 1.00 0.09 O ATOM 439 N1 DG A 14 -0.170 -5.239 -1.426 1.00 0.08 N ATOM 440 C2 DG A 14 -0.592 -6.399 -2.027 1.00 0.08 C ATOM 441 N2 DG A 14 -0.438 -6.464 -3.349 1.00 0.09 N ATOM 442 N3 DG A 14 -1.132 -7.422 -1.359 1.00 0.08 N ATOM 443 C4 DG A 14 -1.213 -7.180 -0.026 1.00 0.08 C ATOM 0 H5' DG A 14 -1.173 -11.929 -2.401 1.00 0.10 H new ATOM 0 H5'' DG A 14 -0.445 -10.410 -1.921 1.00 0.10 H new ATOM 0 H4' DG A 14 -1.646 -12.318 0.068 1.00 0.09 H new ATOM 0 H3' DG A 14 -3.337 -11.259 -1.809 1.00 0.08 H new ATOM 0 H2' DG A 14 -2.805 -8.902 -1.362 1.00 0.10 H new ATOM 0 H2'' DG A 14 -4.196 -9.160 -0.328 1.00 0.10 H new ATOM 0 H1' DG A 14 -2.904 -9.593 1.573 1.00 0.09 H new ATOM 0 H8 DG A 14 -1.908 -7.781 3.065 1.00 0.09 H new ATOM 0 H1 DG A 14 0.230 -4.518 -2.026 1.00 0.08 H new ATOM 0 H21 DG A 14 -0.731 -7.299 -3.856 1.00 0.09 H new ATOM 0 H22 DG A 14 -0.027 -5.679 -3.854 1.00 0.09 H new ATOM 455 P DG A 15 -5.602 -11.365 0.024 1.00 0.08 P ATOM 456 OP1 DG A 15 -6.317 -12.501 0.649 1.00 0.12 O ATOM 457 OP2 DG A 15 -5.945 -10.946 -1.355 1.00 0.07 O ATOM 458 O5' DG A 15 -5.758 -10.078 0.995 1.00 0.11 O ATOM 459 C5' DG A 15 -5.595 -10.208 2.417 1.00 0.16 C ATOM 460 C4' DG A 15 -5.653 -8.856 3.141 1.00 0.17 C ATOM 461 O4' DG A 15 -4.708 -7.950 2.563 1.00 0.16 O ATOM 462 C3' DG A 15 -7.027 -8.162 3.100 1.00 0.16 C ATOM 463 O3' DG A 15 -7.476 -7.928 4.448 1.00 0.16 O ATOM 464 C2' DG A 15 -6.759 -6.824 2.405 1.00 0.17 C ATOM 465 C1' DG A 15 -5.265 -6.645 2.635 1.00 0.16 C ATOM 466 N9 DG A 15 -4.576 -5.800 1.633 1.00 0.15 N ATOM 467 C8 DG A 15 -4.397 -6.032 0.292 1.00 0.16 C ATOM 468 N7 DG A 15 -3.733 -5.094 -0.325 1.00 0.16 N ATOM 469 C5 DG A 15 -3.450 -4.171 0.677 1.00 0.16 C ATOM 470 C6 DG A 15 -2.747 -2.938 0.605 1.00 0.17 C ATOM 471 O6 DG A 15 -2.229 -2.409 -0.376 1.00 0.18 O ATOM 472 N1 DG A 15 -2.687 -2.314 1.840 1.00 0.17 N ATOM 473 C2 DG A 15 -3.229 -2.808 3.005 1.00 0.16 C ATOM 474 N2 DG A 15 -3.068 -2.060 4.094 1.00 0.17 N ATOM 475 N3 DG A 15 -3.888 -3.968 3.079 1.00 0.15 N ATOM 476 C4 DG A 15 -3.960 -4.593 1.880 1.00 0.15 C ATOM 0 H5' DG A 15 -4.640 -10.689 2.628 1.00 0.16 H new ATOM 0 H5'' DG A 15 -6.374 -10.861 2.811 1.00 0.16 H new ATOM 0 H4' DG A 15 -5.429 -9.090 4.182 1.00 0.17 H new ATOM 0 H3' DG A 15 -7.787 -8.751 2.588 1.00 0.16 H new ATOM 0 H2' DG A 15 -7.008 -6.858 1.344 1.00 0.17 H new ATOM 0 H2'' DG A 15 -7.340 -6.012 2.843 1.00 0.17 H new ATOM 0 H1' DG A 15 -5.130 -6.139 3.591 1.00 0.16 H new ATOM 0 H8 DG A 15 -4.772 -6.913 -0.208 1.00 0.16 H new ATOM 0 H1 DG A 15 -2.203 -1.418 1.890 1.00 0.17 H new ATOM 0 H21 DG A 15 -3.447 -2.372 4.988 1.00 0.17 H new ATOM 0 H22 DG A 15 -2.565 -1.174 4.035 1.00 0.17 H new ATOM 488 P DT A 16 -9.040 -8.013 4.850 1.00 0.16 P ATOM 489 OP1 DT A 16 -9.386 -9.437 5.062 1.00 0.22 O ATOM 490 OP2 DT A 16 -9.810 -7.202 3.883 1.00 0.17 O ATOM 491 O5' DT A 16 -9.064 -7.267 6.284 1.00 0.19 O ATOM 492 C5' DT A 16 -10.298 -6.932 6.935 1.00 0.23 C ATOM 493 C4' DT A 16 -10.629 -5.445 6.794 1.00 0.32 C ATOM 494 O4' DT A 16 -9.537 -4.659 7.276 1.00 0.34 O ATOM 495 C3' DT A 16 -10.902 -5.004 5.353 1.00 0.36 C ATOM 496 O3' DT A 16 -12.234 -4.488 5.254 1.00 0.38 O ATOM 497 C2' DT A 16 -9.896 -3.885 5.079 1.00 0.39 C ATOM 498 C1' DT A 16 -9.454 -3.483 6.477 1.00 0.39 C ATOM 499 N1 DT A 16 -8.064 -2.980 6.544 1.00 0.42 N ATOM 500 C2 DT A 16 -7.878 -1.611 6.658 1.00 0.48 C ATOM 501 O2 DT A 16 -8.817 -0.822 6.730 1.00 0.54 O ATOM 502 N3 DT A 16 -6.567 -1.179 6.687 1.00 0.52 N ATOM 503 C4 DT A 16 -5.443 -1.981 6.617 1.00 0.49 C ATOM 504 O4 DT A 16 -4.320 -1.486 6.644 1.00 0.54 O ATOM 505 C5 DT A 16 -5.731 -3.394 6.502 1.00 0.43 C ATOM 506 C7 DT A 16 -4.580 -4.395 6.414 1.00 0.44 C ATOM 507 C6 DT A 16 -7.002 -3.841 6.470 1.00 0.40 C ATOM 0 H5' DT A 16 -10.234 -7.191 7.992 1.00 0.23 H new ATOM 0 H5'' DT A 16 -11.107 -7.526 6.509 1.00 0.23 H new ATOM 0 H4' DT A 16 -11.539 -5.293 7.374 1.00 0.32 H new ATOM 0 H3' DT A 16 -10.806 -5.827 4.644 1.00 0.36 H new ATOM 0 H2' DT A 16 -9.059 -4.233 4.474 1.00 0.39 H new ATOM 0 H2'' DT A 16 -10.352 -3.052 4.544 1.00 0.39 H new ATOM 0 H1' DT A 16 -10.094 -2.669 6.817 1.00 0.39 H new ATOM 0 H3 DT A 16 -6.413 -0.174 6.768 1.00 0.52 H new ATOM 0 H71 DT A 16 -3.723 -3.923 5.933 1.00 0.44 H new ATOM 0 H72 DT A 16 -4.301 -4.718 7.417 1.00 0.44 H new ATOM 0 H73 DT A 16 -4.894 -5.259 5.829 1.00 0.44 H new ATOM 0 H6 DT A 16 -7.187 -4.902 6.384 1.00 0.40 H new ATOM 520 P DT A 17 -13.237 -5.030 4.114 1.00 0.30 P ATOM 521 OP1 DT A 17 -14.007 -3.879 3.596 1.00 0.36 O ATOM 522 OP2 DT A 17 -13.946 -6.216 4.643 1.00 0.49 O ATOM 523 O5' DT A 17 -12.218 -5.517 2.958 1.00 0.28 O ATOM 524 C5' DT A 17 -12.618 -6.492 1.984 1.00 0.31 C ATOM 525 C4' DT A 17 -12.743 -5.883 0.588 1.00 0.27 C ATOM 526 O4' DT A 17 -13.568 -4.719 0.656 1.00 0.20 O ATOM 527 C3' DT A 17 -11.407 -5.461 -0.039 1.00 0.28 C ATOM 528 O3' DT A 17 -11.322 -5.978 -1.377 1.00 0.35 O ATOM 529 C2' DT A 17 -11.467 -3.939 -0.079 1.00 0.23 C ATOM 530 C1' DT A 17 -12.966 -3.690 -0.123 1.00 0.19 C ATOM 531 N1 DT A 17 -13.386 -2.393 0.447 1.00 0.22 N ATOM 532 C2 DT A 17 -14.211 -1.591 -0.322 1.00 0.30 C ATOM 533 O2 DT A 17 -14.595 -1.923 -1.440 1.00 0.31 O ATOM 534 N3 DT A 17 -14.586 -0.390 0.242 1.00 0.40 N ATOM 535 C4 DT A 17 -14.216 0.076 1.490 1.00 0.44 C ATOM 536 O4 DT A 17 -14.614 1.165 1.892 1.00 0.55 O ATOM 537 C5 DT A 17 -13.356 -0.825 2.223 1.00 0.35 C ATOM 538 C7 DT A 17 -12.872 -0.438 3.619 1.00 0.40 C ATOM 539 C6 DT A 17 -12.974 -2.005 1.694 1.00 0.24 C ATOM 0 H5' DT A 17 -13.573 -6.928 2.277 1.00 0.31 H new ATOM 0 H5'' DT A 17 -11.891 -7.304 1.963 1.00 0.31 H new ATOM 0 H4' DT A 17 -13.168 -6.667 -0.039 1.00 0.27 H new ATOM 0 H3' DT A 17 -10.545 -5.830 0.517 1.00 0.28 H new ATOM 0 H2' DT A 17 -11.003 -3.488 0.798 1.00 0.23 H new ATOM 0 H2'' DT A 17 -10.959 -3.532 -0.953 1.00 0.23 H new ATOM 0 H1' DT A 17 -13.270 -3.681 -1.170 1.00 0.19 H new ATOM 0 H3 DT A 17 -15.194 0.212 -0.314 1.00 0.40 H new ATOM 0 H71 DT A 17 -12.721 -1.338 4.214 1.00 0.40 H new ATOM 0 H72 DT A 17 -11.931 0.107 3.540 1.00 0.40 H new ATOM 0 H73 DT A 17 -13.618 0.194 4.101 1.00 0.40 H new ATOM 0 H6 DT A 17 -12.330 -2.657 2.265 1.00 0.24 H new ATOM 552 P DA A 18 -9.936 -5.919 -2.204 1.00 0.45 P ATOM 553 OP1 DA A 18 -9.945 -7.007 -3.210 1.00 0.58 O ATOM 554 OP2 DA A 18 -8.824 -5.829 -1.228 1.00 0.57 O ATOM 555 O5' DA A 18 -10.037 -4.510 -2.980 1.00 0.32 O ATOM 556 C5' DA A 18 -9.110 -3.455 -2.693 1.00 0.39 C ATOM 557 C4' DA A 18 -7.920 -3.463 -3.654 1.00 0.32 C ATOM 558 O4' DA A 18 -6.907 -2.595 -3.158 1.00 0.43 O ATOM 559 C3' DA A 18 -7.258 -4.823 -3.836 1.00 0.24 C ATOM 560 O3' DA A 18 -6.656 -4.892 -5.135 1.00 0.27 O ATOM 561 C2' DA A 18 -6.180 -4.857 -2.757 1.00 0.28 C ATOM 562 C1' DA A 18 -5.947 -3.373 -2.431 1.00 0.31 C ATOM 563 N9 DA A 18 -6.094 -3.034 -0.999 1.00 0.25 N ATOM 564 C8 DA A 18 -6.796 -3.691 -0.022 1.00 0.26 C ATOM 565 N7 DA A 18 -6.714 -3.134 1.155 1.00 0.25 N ATOM 566 C5 DA A 18 -5.900 -2.028 0.942 1.00 0.23 C ATOM 567 C6 DA A 18 -5.426 -1.018 1.797 1.00 0.24 C ATOM 568 N6 DA A 18 -5.719 -0.961 3.096 1.00 0.26 N ATOM 569 N1 DA A 18 -4.639 -0.074 1.257 1.00 0.24 N ATOM 570 C2 DA A 18 -4.350 -0.136 -0.039 1.00 0.25 C ATOM 571 N3 DA A 18 -4.731 -1.027 -0.939 1.00 0.26 N ATOM 572 C4 DA A 18 -5.518 -1.960 -0.367 1.00 0.24 C ATOM 0 H5' DA A 18 -8.750 -3.557 -1.669 1.00 0.39 H new ATOM 0 H5'' DA A 18 -9.622 -2.495 -2.757 1.00 0.39 H new ATOM 0 H4' DA A 18 -8.332 -3.152 -4.614 1.00 0.32 H new ATOM 0 H3' DA A 18 -7.958 -5.655 -3.756 1.00 0.24 H new ATOM 0 H2' DA A 18 -6.509 -5.413 -1.879 1.00 0.28 H new ATOM 0 H2'' DA A 18 -5.269 -5.336 -3.115 1.00 0.28 H new ATOM 0 H1' DA A 18 -4.916 -3.156 -2.710 1.00 0.31 H new ATOM 0 H8 DA A 18 -7.366 -4.589 -0.210 1.00 0.26 H new ATOM 0 H61 DA A 18 -5.347 -0.204 3.670 1.00 0.26 H new ATOM 0 H62 DA A 18 -6.315 -1.674 3.516 1.00 0.26 H new ATOM 0 H2 DA A 18 -3.713 0.654 -0.410 1.00 0.25 H new ATOM 584 P DG A 19 -6.768 -6.234 -6.025 1.00 0.19 P ATOM 585 OP1 DG A 19 -8.188 -6.428 -6.391 1.00 0.36 O ATOM 586 OP2 DG A 19 -6.028 -7.314 -5.330 1.00 0.24 O ATOM 587 O5' DG A 19 -5.954 -5.835 -7.360 1.00 0.25 O ATOM 588 C5' DG A 19 -4.575 -6.199 -7.523 1.00 0.18 C ATOM 589 C4' DG A 19 -3.874 -5.312 -8.551 1.00 0.08 C ATOM 590 O4' DG A 19 -3.712 -3.991 -8.015 1.00 0.09 O ATOM 591 C3' DG A 19 -2.478 -5.803 -8.953 1.00 0.11 C ATOM 592 O3' DG A 19 -2.305 -5.641 -10.369 1.00 0.13 O ATOM 593 C2' DG A 19 -1.539 -4.866 -8.212 1.00 0.11 C ATOM 594 C1' DG A 19 -2.356 -3.591 -8.216 1.00 0.09 C ATOM 595 N9 DG A 19 -1.992 -2.627 -7.158 1.00 0.11 N ATOM 596 C8 DG A 19 -1.439 -1.381 -7.295 1.00 0.15 C ATOM 597 N7 DG A 19 -1.230 -0.767 -6.164 1.00 0.15 N ATOM 598 C5 DG A 19 -1.675 -1.669 -5.205 1.00 0.11 C ATOM 599 C6 DG A 19 -1.700 -1.555 -3.788 1.00 0.10 C ATOM 600 O6 DG A 19 -1.327 -0.615 -3.088 1.00 0.12 O ATOM 601 N1 DG A 19 -2.226 -2.692 -3.199 1.00 0.08 N ATOM 602 C2 DG A 19 -2.674 -3.801 -3.881 1.00 0.08 C ATOM 603 N2 DG A 19 -3.146 -4.798 -3.142 1.00 0.11 N ATOM 604 N3 DG A 19 -2.654 -3.913 -5.208 1.00 0.07 N ATOM 605 C4 DG A 19 -2.143 -2.813 -5.804 1.00 0.08 C ATOM 0 H5' DG A 19 -4.508 -7.241 -7.836 1.00 0.18 H new ATOM 0 H5'' DG A 19 -4.062 -6.120 -6.564 1.00 0.18 H new ATOM 0 H4' DG A 19 -4.511 -5.335 -9.435 1.00 0.08 H new ATOM 0 H3' DG A 19 -2.306 -6.853 -8.716 1.00 0.11 H new ATOM 0 H2' DG A 19 -1.319 -5.213 -7.203 1.00 0.11 H new ATOM 0 H2'' DG A 19 -0.584 -4.747 -8.724 1.00 0.11 H new ATOM 0 H1' DG A 19 -2.176 -3.076 -9.160 1.00 0.09 H new ATOM 0 H8 DG A 19 -1.198 -0.946 -8.254 1.00 0.15 H new ATOM 0 H1 DG A 19 -2.286 -2.710 -2.181 1.00 0.08 H new ATOM 0 H21 DG A 19 -3.492 -5.646 -3.591 1.00 0.11 H new ATOM 0 H22 DG A 19 -3.162 -4.716 -2.125 1.00 0.11 H new ATOM 617 P DG A 20 -0.974 -6.170 -11.111 1.00 0.23 P ATOM 618 OP1 DG A 20 -1.144 -5.966 -12.568 1.00 0.29 O ATOM 619 OP2 DG A 20 -0.655 -7.518 -10.589 1.00 0.28 O ATOM 620 O5' DG A 20 0.162 -5.150 -10.586 1.00 0.23 O ATOM 621 C5' DG A 20 0.320 -3.851 -11.174 1.00 0.27 C ATOM 622 C4' DG A 20 1.492 -3.094 -10.548 1.00 0.26 C ATOM 623 O4' DG A 20 1.186 -2.765 -9.185 1.00 0.22 O ATOM 624 C3' DG A 20 2.806 -3.894 -10.528 1.00 0.27 C ATOM 625 O3' DG A 20 3.936 -3.032 -10.772 1.00 0.28 O ATOM 626 C2' DG A 20 2.875 -4.389 -9.092 1.00 0.23 C ATOM 627 C1' DG A 20 2.282 -3.189 -8.380 1.00 0.20 C ATOM 628 N9 DG A 20 1.781 -3.443 -7.015 1.00 0.16 N ATOM 629 C8 DG A 20 1.164 -4.555 -6.501 1.00 0.14 C ATOM 630 N7 DG A 20 0.842 -4.447 -5.239 1.00 0.12 N ATOM 631 C5 DG A 20 1.280 -3.169 -4.897 1.00 0.12 C ATOM 632 C6 DG A 20 1.210 -2.479 -3.658 1.00 0.11 C ATOM 633 O6 DG A 20 0.733 -2.860 -2.596 1.00 0.09 O ATOM 634 N1 DG A 20 1.766 -1.216 -3.748 1.00 0.12 N ATOM 635 C2 DG A 20 2.321 -0.673 -4.880 1.00 0.14 C ATOM 636 N2 DG A 20 2.801 0.559 -4.766 1.00 0.16 N ATOM 637 N3 DG A 20 2.392 -1.313 -6.043 1.00 0.16 N ATOM 638 C4 DG A 20 1.854 -2.552 -5.978 1.00 0.14 C ATOM 0 H5' DG A 20 -0.597 -3.277 -11.043 1.00 0.27 H new ATOM 0 H5'' DG A 20 0.482 -3.953 -12.247 1.00 0.27 H new ATOM 0 H4' DG A 20 1.633 -2.210 -11.170 1.00 0.26 H new ATOM 0 H3' DG A 20 2.831 -4.679 -11.284 1.00 0.27 H new ATOM 0 H2' DG A 20 2.294 -5.298 -8.935 1.00 0.23 H new ATOM 0 H2'' DG A 20 3.895 -4.603 -8.772 1.00 0.23 H new ATOM 0 H1' DG A 20 3.076 -2.452 -8.258 1.00 0.20 H new ATOM 0 H8 DG A 20 0.962 -5.440 -7.086 1.00 0.14 H new ATOM 0 H1 DG A 20 1.763 -0.642 -2.905 1.00 0.12 H new ATOM 0 H21 DG A 20 3.226 1.017 -5.572 1.00 0.16 H new ATOM 0 H22 DG A 20 2.745 1.048 -3.872 1.00 0.16 H new ATOM 650 P DG A 21 4.034 -2.048 -12.051 1.00 0.34 P ATOM 651 OP1 DG A 21 2.674 -1.593 -12.416 1.00 0.42 O ATOM 652 OP2 DG A 21 4.894 -2.695 -13.067 1.00 0.42 O ATOM 653 O5' DG A 21 4.838 -0.787 -11.431 1.00 0.27 O ATOM 654 C5' DG A 21 4.621 -0.401 -10.064 1.00 0.24 C ATOM 655 C4' DG A 21 5.428 0.837 -9.655 1.00 0.21 C ATOM 656 O4' DG A 21 5.210 1.101 -8.267 1.00 0.20 O ATOM 657 C3' DG A 21 6.938 0.703 -9.819 1.00 0.17 C ATOM 658 O3' DG A 21 7.525 2.012 -9.962 1.00 0.23 O ATOM 659 C2' DG A 21 7.365 0.069 -8.504 1.00 0.11 C ATOM 660 C1' DG A 21 6.353 0.654 -7.516 1.00 0.12 C ATOM 661 N9 DG A 21 5.878 -0.317 -6.509 1.00 0.12 N ATOM 662 C8 DG A 21 5.411 -1.592 -6.702 1.00 0.13 C ATOM 663 N7 DG A 21 5.082 -2.208 -5.604 1.00 0.17 N ATOM 664 C5 DG A 21 5.347 -1.278 -4.605 1.00 0.19 C ATOM 665 C6 DG A 21 5.186 -1.384 -3.195 1.00 0.25 C ATOM 666 O6 DG A 21 4.773 -2.340 -2.544 1.00 0.30 O ATOM 667 N1 DG A 21 5.572 -0.220 -2.550 1.00 0.27 N ATOM 668 C2 DG A 21 6.054 0.908 -3.180 1.00 0.24 C ATOM 669 N2 DG A 21 6.381 1.930 -2.401 1.00 0.27 N ATOM 670 N3 DG A 21 6.206 1.012 -4.500 1.00 0.18 N ATOM 671 C4 DG A 21 5.835 -0.116 -5.148 1.00 0.15 C ATOM 0 H5' DG A 21 4.886 -1.233 -9.411 1.00 0.24 H new ATOM 0 H5'' DG A 21 3.560 -0.203 -9.912 1.00 0.24 H new ATOM 0 H4' DG A 21 5.081 1.628 -10.319 1.00 0.21 H new ATOM 0 H3' DG A 21 7.240 0.124 -10.692 1.00 0.17 H new ATOM 0 H2' DG A 21 7.314 -1.019 -8.542 1.00 0.11 H new ATOM 0 H2'' DG A 21 8.389 0.331 -8.240 1.00 0.11 H new ATOM 0 H1' DG A 21 6.855 1.459 -6.979 1.00 0.12 H new ATOM 0 H8 DG A 21 5.324 -2.045 -7.679 1.00 0.13 H new ATOM 0 H1 DG A 21 5.494 -0.196 -1.533 1.00 0.27 H new ATOM 0 H21 DG A 21 6.743 2.790 -2.813 1.00 0.27 H new ATOM 0 H22 DG A 21 6.271 1.856 -1.390 1.00 0.27 H new ATOM 683 P DT A 22 9.110 2.258 -9.755 1.00 0.31 P ATOM 684 OP1 DT A 22 9.466 3.543 -10.399 1.00 0.51 O ATOM 685 OP2 DT A 22 9.829 1.017 -10.127 1.00 0.23 O ATOM 686 O5' DT A 22 9.217 2.452 -8.156 1.00 0.35 O ATOM 687 C5' DT A 22 10.429 2.157 -7.451 1.00 0.45 C ATOM 688 C4' DT A 22 10.299 2.464 -5.957 1.00 0.59 C ATOM 689 O4' DT A 22 9.276 1.636 -5.383 1.00 0.55 O ATOM 690 C3' DT A 22 11.578 2.215 -5.155 1.00 0.72 C ATOM 691 O3' DT A 22 11.749 3.195 -4.124 1.00 0.86 O ATOM 692 C2' DT A 22 11.344 0.837 -4.564 1.00 0.71 C ATOM 693 C1' DT A 22 9.847 0.878 -4.312 1.00 0.65 C ATOM 694 N1 DT A 22 9.202 -0.452 -4.299 1.00 0.64 N ATOM 695 C2 DT A 22 8.729 -0.926 -3.088 1.00 0.73 C ATOM 696 O2 DT A 22 8.821 -0.277 -2.048 1.00 0.81 O ATOM 697 N3 DT A 22 8.145 -2.174 -3.110 1.00 0.75 N ATOM 698 C4 DT A 22 7.992 -2.982 -4.222 1.00 0.69 C ATOM 699 O4 DT A 22 7.452 -4.079 -4.124 1.00 0.74 O ATOM 700 C5 DT A 22 8.514 -2.409 -5.442 1.00 0.57 C ATOM 701 C7 DT A 22 8.417 -3.197 -6.748 1.00 0.50 C ATOM 702 C6 DT A 22 9.090 -1.190 -5.447 1.00 0.56 C ATOM 0 H5' DT A 22 11.248 2.740 -7.873 1.00 0.45 H new ATOM 0 H5'' DT A 22 10.683 1.106 -7.587 1.00 0.45 H new ATOM 0 H4' DT A 22 10.063 3.527 -5.898 1.00 0.59 H new ATOM 0 H3' DT A 22 12.481 2.279 -5.762 1.00 0.72 H new ATOM 0 H2' DT A 22 11.624 0.040 -5.253 1.00 0.71 H new ATOM 0 H2'' DT A 22 11.912 0.680 -3.647 1.00 0.71 H new ATOM 0 HO3' DT A 22 12.574 3.008 -3.628 1.00 0.86 H new ATOM 0 H1' DT A 22 9.683 1.311 -3.325 1.00 0.65 H new ATOM 0 H3 DT A 22 7.793 -2.536 -2.224 1.00 0.75 H new ATOM 0 H71 DT A 22 8.338 -2.504 -7.586 1.00 0.50 H new ATOM 0 H72 DT A 22 9.308 -3.813 -6.869 1.00 0.50 H new ATOM 0 H73 DT A 22 7.535 -3.837 -6.722 1.00 0.50 H new ATOM 0 H6 DT A 22 9.470 -0.788 -6.374 1.00 0.56 H new TER 716 DT A 22