USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 250 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 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= -0.307 USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) 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 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 22 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 22 DT O3' : rot 159:sc= 2.03 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 3.030 -5.295 1.922 1.00 0.88 O ATOM 2 C5' DT A 1 3.167 -4.388 0.859 1.00 0.41 C ATOM 3 C4' DT A 1 3.050 -2.945 1.318 1.00 0.09 C ATOM 4 O4' DT A 1 1.733 -2.421 0.994 1.00 0.24 O ATOM 5 C3' DT A 1 3.240 -2.700 2.830 1.00 0.17 C ATOM 6 O3' DT A 1 4.329 -1.796 3.040 1.00 0.93 O ATOM 7 C2' DT A 1 1.917 -2.048 3.303 1.00 0.43 C ATOM 8 C1' DT A 1 1.334 -1.495 1.985 1.00 0.38 C ATOM 9 N1 DT A 1 -0.139 -1.376 1.967 1.00 0.78 N ATOM 10 C2 DT A 1 -0.675 -0.107 1.791 1.00 0.94 C ATOM 11 O2 DT A 1 0.012 0.888 1.633 1.00 0.85 O ATOM 12 N3 DT A 1 -2.051 -0.050 1.801 1.00 0.33 N ATOM 13 C4 DT A 1 -2.926 -1.111 1.963 1.00 0.56 C ATOM 14 O4 DT A 1 -4.138 -0.909 1.953 1.00 0.90 O ATOM 15 C5 DT A 1 -2.303 -2.413 2.138 1.00 0.42 C ATOM 16 C7 DT A 1 -3.178 -3.612 2.327 1.00 0.76 C ATOM 17 C6 DT A 1 -0.957 -2.491 2.129 1.00 0.05 C ATOM 0 H5' DT A 1 2.403 -4.592 0.109 1.00 0.41 H new ATOM 0 H5'' DT A 1 4.134 -4.537 0.378 1.00 0.41 H new ATOM 0 H4' DT A 1 3.865 -2.447 0.793 1.00 0.09 H new ATOM 0 H3' DT A 1 3.462 -3.619 3.372 1.00 0.17 H new ATOM 0 H2' DT A 1 1.250 -2.773 3.770 1.00 0.43 H new ATOM 0 H2'' DT A 1 2.091 -1.258 4.034 1.00 0.43 H new ATOM 0 HO5' DT A 1 3.110 -6.211 1.583 1.00 0.88 H new ATOM 0 H1' DT A 1 1.701 -0.480 1.832 1.00 0.38 H new ATOM 0 H3 DT A 1 -2.470 0.871 1.676 1.00 0.33 H new ATOM 0 H71 DT A 1 -2.679 -4.494 1.925 1.00 0.76 H new ATOM 0 H72 DT A 1 -3.371 -3.757 3.390 1.00 0.76 H new ATOM 0 H73 DT A 1 -4.122 -3.459 1.804 1.00 0.76 H new ATOM 0 H6 DT A 1 -0.494 -3.459 2.253 1.00 0.05 H new ATOM 31 P DA A 2 5.697 -2.329 3.686 1.00 0.88 P ATOM 32 OP1 DA A 2 5.827 -3.785 3.417 1.00 0.14 O ATOM 33 OP2 DA A 2 5.764 -1.883 5.101 1.00 0.92 O ATOM 34 O5' DA A 2 6.799 -1.553 2.837 1.00 0.85 O ATOM 35 C5' DA A 2 7.249 -0.249 3.198 1.00 0.75 C ATOM 36 C4' DA A 2 7.529 0.569 1.928 1.00 0.69 C ATOM 37 O4' DA A 2 6.263 0.788 1.257 1.00 0.75 O ATOM 38 C3' DA A 2 8.123 1.991 2.057 1.00 0.75 C ATOM 39 O3' DA A 2 8.748 2.376 0.829 1.00 0.82 O ATOM 40 C2' DA A 2 6.891 2.837 2.279 1.00 0.82 C ATOM 41 C1' DA A 2 5.825 2.135 1.448 1.00 0.82 C ATOM 42 N9 DA A 2 4.504 2.115 2.093 1.00 0.93 N ATOM 43 C8 DA A 2 4.002 1.192 2.979 1.00 0.00 C ATOM 44 N7 DA A 2 2.787 1.461 3.394 1.00 0.20 N ATOM 45 C5 DA A 2 2.464 2.644 2.738 1.00 0.22 C ATOM 46 C6 DA A 2 1.307 3.462 2.751 1.00 0.41 C ATOM 47 N6 DA A 2 0.221 3.202 3.484 1.00 0.61 N ATOM 48 N1 DA A 2 1.311 4.580 1.977 1.00 0.44 N ATOM 49 C2 DA A 2 2.410 4.849 1.245 1.00 0.33 C ATOM 50 N3 DA A 2 3.554 4.159 1.152 1.00 0.17 N ATOM 51 C4 DA A 2 3.517 3.055 1.932 1.00 0.09 C ATOM 0 H5' DA A 2 8.152 -0.320 3.804 1.00 0.75 H new ATOM 0 H5'' DA A 2 6.496 0.251 3.806 1.00 0.75 H new ATOM 0 H4' DA A 2 8.284 -0.036 1.425 1.00 0.69 H new ATOM 0 H3' DA A 2 8.875 2.080 2.841 1.00 0.75 H new ATOM 0 H2' DA A 2 6.616 2.878 3.333 1.00 0.82 H new ATOM 0 H2'' DA A 2 7.045 3.865 1.950 1.00 0.82 H new ATOM 0 H1' DA A 2 5.706 2.680 0.512 1.00 0.82 H new ATOM 0 H8 DA A 2 4.557 0.324 3.304 1.00 0.00 H new ATOM 0 H61 DA A 2 -0.581 3.832 3.449 1.00 0.61 H new ATOM 0 H62 DA A 2 0.193 2.374 4.079 1.00 0.61 H new ATOM 0 H2 DA A 2 2.361 5.748 0.649 1.00 0.33 H new ATOM 63 P DG A 3 10.249 2.938 0.851 1.00 0.91 P ATOM 64 OP1 DG A 3 10.460 3.710 2.103 1.00 0.06 O ATOM 65 OP2 DG A 3 10.514 3.632 -0.434 1.00 0.09 O ATOM 66 O5' DG A 3 11.114 1.595 0.919 1.00 0.82 O ATOM 67 C5' DG A 3 11.688 1.011 -0.250 1.00 0.80 C ATOM 68 C4' DG A 3 10.923 -0.229 -0.694 1.00 0.75 C ATOM 69 O4' DG A 3 9.488 -0.055 -0.480 1.00 0.65 O ATOM 70 C3' DG A 3 11.077 -0.582 -2.184 1.00 0.80 C ATOM 71 O3' DG A 3 11.339 -1.981 -2.322 1.00 0.88 O ATOM 72 C2' DG A 3 9.717 -0.228 -2.788 1.00 0.66 C ATOM 73 C1' DG A 3 8.776 -0.479 -1.628 1.00 0.59 C ATOM 74 N9 DG A 3 7.503 0.268 -1.697 1.00 0.50 N ATOM 75 C8 DG A 3 7.344 1.634 -1.785 1.00 0.48 C ATOM 76 N7 DG A 3 6.096 1.999 -1.866 1.00 0.43 N ATOM 77 C5 DG A 3 5.378 0.819 -1.817 1.00 0.40 C ATOM 78 C6 DG A 3 3.968 0.602 -1.861 1.00 0.38 C ATOM 79 O6 DG A 3 3.074 1.451 -1.956 1.00 0.39 O ATOM 80 N1 DG A 3 3.645 -0.758 -1.779 1.00 0.38 N ATOM 81 C2 DG A 3 4.579 -1.779 -1.663 1.00 0.43 C ATOM 82 N2 DG A 3 4.093 -3.027 -1.569 1.00 0.44 N ATOM 83 N3 DG A 3 5.901 -1.582 -1.627 1.00 0.47 N ATOM 84 C4 DG A 3 6.229 -0.267 -1.708 1.00 0.45 C ATOM 0 H5' DG A 3 12.727 0.746 -0.052 1.00 0.80 H new ATOM 0 H5'' DG A 3 11.694 1.743 -1.057 1.00 0.80 H new ATOM 0 H4' DG A 3 11.354 -1.029 -0.092 1.00 0.75 H new ATOM 0 H3' DG A 3 11.898 -0.055 -2.670 1.00 0.80 H new ATOM 0 H2' DG A 3 9.679 0.807 -3.126 1.00 0.66 H new ATOM 0 H2'' DG A 3 9.478 -0.853 -3.648 1.00 0.66 H new ATOM 0 H1' DG A 3 8.491 -1.531 -1.626 1.00 0.59 H new ATOM 0 H8 DG A 3 8.169 2.331 -1.787 1.00 0.48 H new ATOM 0 H1 DG A 3 2.658 -1.016 -1.806 1.00 0.38 H new ATOM 0 H21 DG A 3 4.731 -3.818 -1.482 1.00 0.44 H new ATOM 0 H22 DG A 3 3.085 -3.184 -1.585 1.00 0.44 H new ATOM 96 P DG A 4 11.945 -2.545 -3.694 1.00 0.02 P ATOM 97 OP1 DG A 4 13.249 -3.200 -3.414 1.00 0.32 O ATOM 98 OP2 DG A 4 11.924 -1.467 -4.716 1.00 0.10 O ATOM 99 O5' DG A 4 10.881 -3.659 -4.096 1.00 0.87 O ATOM 100 C5' DG A 4 10.476 -4.657 -3.165 1.00 0.82 C ATOM 101 C4' DG A 4 9.365 -5.510 -3.737 1.00 0.66 C ATOM 102 O4' DG A 4 8.103 -4.784 -3.637 1.00 0.57 O ATOM 103 C3' DG A 4 9.520 -5.870 -5.223 1.00 0.59 C ATOM 104 O3' DG A 4 9.066 -7.207 -5.458 1.00 0.56 O ATOM 105 C2' DG A 4 8.629 -4.857 -5.889 1.00 0.53 C ATOM 106 C1' DG A 4 7.480 -4.762 -4.904 1.00 0.50 C ATOM 107 N9 DG A 4 6.686 -3.532 -5.017 1.00 0.47 N ATOM 108 C8 DG A 4 7.173 -2.264 -5.176 1.00 0.50 C ATOM 109 N7 DG A 4 6.242 -1.357 -5.241 1.00 0.48 N ATOM 110 C5 DG A 4 5.062 -2.065 -5.126 1.00 0.43 C ATOM 111 C6 DG A 4 3.718 -1.603 -5.134 1.00 0.40 C ATOM 112 O6 DG A 4 3.319 -0.436 -5.240 1.00 0.42 O ATOM 113 N1 DG A 4 2.808 -2.656 -4.997 1.00 0.38 N ATOM 114 C2 DG A 4 3.161 -3.989 -4.868 1.00 0.38 C ATOM 115 N2 DG A 4 2.153 -4.866 -4.766 1.00 0.39 N ATOM 116 N3 DG A 4 4.422 -4.429 -4.855 1.00 0.40 N ATOM 117 C4 DG A 4 5.315 -3.418 -4.988 1.00 0.42 C ATOM 0 H5' DG A 4 10.139 -4.184 -2.243 1.00 0.82 H new ATOM 0 H5'' DG A 4 11.328 -5.287 -2.907 1.00 0.82 H new ATOM 0 H4' DG A 4 9.398 -6.432 -3.157 1.00 0.66 H new ATOM 0 H3' DG A 4 10.546 -5.843 -5.589 1.00 0.59 H new ATOM 0 H2' DG A 4 9.130 -3.899 -6.027 1.00 0.53 H new ATOM 0 H2'' DG A 4 8.298 -5.188 -6.873 1.00 0.53 H new ATOM 0 H1' DG A 4 6.776 -5.574 -5.087 1.00 0.50 H new ATOM 0 H8 DG A 4 8.227 -2.038 -5.241 1.00 0.50 H new ATOM 0 H1 DG A 4 1.814 -2.426 -4.992 1.00 0.38 H new ATOM 0 H21 DG A 4 2.351 -5.862 -4.669 1.00 0.39 H new ATOM 0 H22 DG A 4 1.187 -4.538 -4.786 1.00 0.39 H new ATOM 129 P DG A 5 9.109 -7.831 -6.936 1.00 0.58 P ATOM 130 OP1 DG A 5 9.735 -9.176 -6.873 1.00 0.71 O ATOM 131 OP2 DG A 5 9.702 -6.843 -7.872 1.00 0.59 O ATOM 132 O5' DG A 5 7.557 -7.999 -7.263 1.00 0.56 O ATOM 133 C5' DG A 5 6.696 -8.651 -6.336 1.00 0.60 C ATOM 134 C4' DG A 5 5.321 -8.922 -6.928 1.00 0.59 C ATOM 135 O4' DG A 5 4.497 -7.724 -6.873 1.00 0.54 O ATOM 136 C3' DG A 5 5.295 -9.349 -8.365 1.00 0.60 C ATOM 137 O3' DG A 5 4.124 -10.131 -8.629 1.00 0.70 O ATOM 138 C2' DG A 5 5.207 -8.024 -9.076 1.00 0.53 C ATOM 139 C1' DG A 5 4.157 -7.337 -8.200 1.00 0.51 C ATOM 140 N9 DG A 5 4.098 -5.864 -8.259 1.00 0.45 N ATOM 141 C8 DG A 5 5.137 -4.953 -8.251 1.00 0.46 C ATOM 142 N7 DG A 5 4.725 -3.714 -8.295 1.00 0.43 N ATOM 143 C5 DG A 5 3.346 -3.805 -8.337 1.00 0.39 C ATOM 144 C6 DG A 5 2.354 -2.780 -8.394 1.00 0.38 C ATOM 145 O6 DG A 5 2.525 -1.557 -8.419 1.00 0.39 O ATOM 146 N1 DG A 5 1.058 -3.313 -8.424 1.00 0.40 N ATOM 147 C2 DG A 5 0.769 -4.669 -8.403 1.00 0.41 C ATOM 148 N2 DG A 5 -0.522 -5.017 -8.445 1.00 0.45 N ATOM 149 N3 DG A 5 1.690 -5.622 -8.348 1.00 0.42 N ATOM 150 C4 DG A 5 2.947 -5.125 -8.318 1.00 0.41 C ATOM 0 H5' DG A 5 6.591 -8.034 -5.443 1.00 0.60 H new ATOM 0 H5'' DG A 5 7.147 -9.592 -6.022 1.00 0.60 H new ATOM 0 H4' DG A 5 4.953 -9.746 -6.317 1.00 0.59 H new ATOM 0 H3' DG A 5 6.145 -9.962 -8.664 1.00 0.60 H new ATOM 0 H2' DG A 5 6.157 -7.491 -9.087 1.00 0.53 H new ATOM 0 H2'' DG A 5 4.886 -8.125 -10.113 1.00 0.53 H new ATOM 0 H1' DG A 5 3.174 -7.645 -8.555 1.00 0.51 H new ATOM 0 H8 DG A 5 6.179 -5.235 -8.212 1.00 0.46 H new ATOM 0 H1 DG A 5 0.275 -2.660 -8.464 1.00 0.40 H new ATOM 0 H21 DG A 5 -0.785 -6.002 -8.432 1.00 0.45 H new ATOM 0 H22 DG A 5 -1.243 -4.297 -8.490 1.00 0.45 H new ATOM 162 P DT A 6 4.245 -11.697 -8.930 1.00 0.05 P ATOM 163 OP1 DT A 6 5.324 -12.276 -8.087 1.00 0.33 O ATOM 164 OP2 DT A 6 4.341 -11.891 -10.399 1.00 0.41 O ATOM 165 O5' DT A 6 2.834 -12.247 -8.422 1.00 0.26 O ATOM 166 C5' DT A 6 2.571 -12.475 -7.038 1.00 0.38 C ATOM 167 C4' DT A 6 1.554 -11.485 -6.511 1.00 0.16 C ATOM 168 O4' DT A 6 0.205 -11.937 -6.853 1.00 0.16 O ATOM 169 C3' DT A 6 1.551 -11.309 -4.981 1.00 0.14 C ATOM 170 O3' DT A 6 1.182 -9.962 -4.644 1.00 0.07 O ATOM 171 C2' DT A 6 0.430 -12.279 -4.577 1.00 0.13 C ATOM 172 C1' DT A 6 -0.579 -11.986 -5.675 1.00 0.08 C ATOM 173 N1 DT A 6 -1.657 -12.986 -5.826 1.00 0.34 N ATOM 174 C2 DT A 6 -2.954 -12.595 -5.522 1.00 0.59 C ATOM 175 O2 DT A 6 -3.238 -11.472 -5.136 1.00 0.59 O ATOM 176 N3 DT A 6 -3.910 -13.577 -5.685 1.00 0.96 N ATOM 177 C4 DT A 6 -3.702 -14.878 -6.115 1.00 0.10 C ATOM 178 O4 DT A 6 -4.653 -15.649 -6.215 1.00 0.49 O ATOM 179 C5 DT A 6 -2.320 -15.220 -6.415 1.00 0.86 C ATOM 180 C7 DT A 6 -1.998 -16.600 -6.890 1.00 0.14 C ATOM 181 C6 DT A 6 -1.377 -14.274 -6.260 1.00 0.51 C ATOM 0 H5' DT A 6 3.497 -12.389 -6.469 1.00 0.38 H new ATOM 0 H5'' DT A 6 2.203 -13.491 -6.896 1.00 0.38 H new ATOM 0 H4' DT A 6 1.836 -10.538 -6.971 1.00 0.16 H new ATOM 0 H3' DT A 6 2.510 -11.496 -4.498 1.00 0.14 H new ATOM 0 H2' DT A 6 0.758 -13.319 -4.578 1.00 0.13 H new ATOM 0 H2'' DT A 6 0.036 -12.070 -3.582 1.00 0.13 H new ATOM 0 H1' DT A 6 -1.117 -11.067 -5.442 1.00 0.08 H new ATOM 0 H3 DT A 6 -4.872 -13.318 -5.466 1.00 0.96 H new ATOM 0 H71 DT A 6 -1.127 -16.566 -7.544 1.00 0.14 H new ATOM 0 H72 DT A 6 -1.784 -17.239 -6.033 1.00 0.14 H new ATOM 0 H73 DT A 6 -2.849 -17.003 -7.440 1.00 0.14 H new ATOM 0 H6 DT A 6 -0.352 -14.529 -6.484 1.00 0.51 H new ATOM 194 P DG A 7 2.085 -9.095 -3.634 1.00 0.80 P ATOM 195 OP1 DG A 7 2.570 -7.883 -4.341 1.00 0.66 O ATOM 196 OP2 DG A 7 3.100 -9.975 -3.000 1.00 0.90 O ATOM 197 O5' DG A 7 1.031 -8.632 -2.530 1.00 0.90 O ATOM 198 C5' DG A 7 0.762 -9.403 -1.360 1.00 0.78 C ATOM 199 C4' DG A 7 -0.469 -8.874 -0.642 1.00 0.58 C ATOM 200 O4' DG A 7 -0.225 -7.506 -0.177 1.00 0.58 O ATOM 201 C3' DG A 7 -1.720 -8.769 -1.511 1.00 0.40 C ATOM 202 O3' DG A 7 -2.910 -8.903 -0.728 1.00 0.38 O ATOM 203 C2' DG A 7 -1.599 -7.380 -2.054 1.00 0.31 C ATOM 204 C1' DG A 7 -1.133 -6.619 -0.830 1.00 0.38 C ATOM 205 N9 DG A 7 -0.436 -5.352 -1.122 1.00 0.37 N ATOM 206 C8 DG A 7 0.911 -5.168 -1.312 1.00 0.39 C ATOM 207 N7 DG A 7 1.235 -3.933 -1.548 1.00 0.40 N ATOM 208 C5 DG A 7 0.045 -3.247 -1.511 1.00 0.38 C ATOM 209 C6 DG A 7 -0.205 -1.861 -1.687 1.00 0.40 C ATOM 210 O6 DG A 7 0.625 -0.964 -1.901 1.00 0.42 O ATOM 211 N1 DG A 7 -1.568 -1.564 -1.571 1.00 0.40 N ATOM 212 C2 DG A 7 -2.558 -2.497 -1.315 1.00 0.40 C ATOM 213 N2 DG A 7 -3.814 -2.031 -1.238 1.00 0.44 N ATOM 214 N3 DG A 7 -2.327 -3.801 -1.145 1.00 0.38 N ATOM 215 C4 DG A 7 -1.008 -4.105 -1.253 1.00 0.36 C ATOM 0 H5' DG A 7 1.622 -9.371 -0.691 1.00 0.78 H new ATOM 0 H5'' DG A 7 0.610 -10.447 -1.633 1.00 0.78 H new ATOM 0 H4' DG A 7 -0.642 -9.596 0.156 1.00 0.58 H new ATOM 0 H3' DG A 7 -1.789 -9.544 -2.274 1.00 0.40 H new ATOM 0 H2' DG A 7 -0.882 -7.320 -2.872 1.00 0.31 H new ATOM 0 H2'' DG A 7 -2.549 -7.004 -2.434 1.00 0.31 H new ATOM 0 H1' DG A 7 -2.001 -6.332 -0.236 1.00 0.38 H new ATOM 0 H8 DG A 7 1.631 -5.972 -1.269 1.00 0.39 H new ATOM 0 H1 DG A 7 -1.852 -0.591 -1.683 1.00 0.40 H new ATOM 0 H21 DG A 7 -4.585 -2.672 -1.051 1.00 0.44 H new ATOM 0 H22 DG A 7 -3.997 -1.036 -1.366 1.00 0.44 H new ATOM 227 P DG A 8 -4.282 -9.320 -1.451 1.00 0.47 P ATOM 228 OP1 DG A 8 -5.395 -9.206 -0.473 1.00 0.61 O ATOM 229 OP2 DG A 8 -4.089 -10.631 -2.118 1.00 0.67 O ATOM 230 O5' DG A 8 -4.455 -8.188 -2.568 1.00 0.40 O ATOM 231 C5' DG A 8 -5.589 -7.325 -2.578 1.00 0.43 C ATOM 232 C4' DG A 8 -5.534 -6.345 -3.736 1.00 0.40 C ATOM 233 O4' DG A 8 -4.398 -5.483 -3.620 1.00 0.37 O ATOM 234 C3' DG A 8 -5.394 -6.959 -5.134 1.00 0.43 C ATOM 235 O3' DG A 8 -6.680 -7.007 -5.764 1.00 0.54 O ATOM 236 C2' DG A 8 -4.448 -5.991 -5.875 1.00 0.39 C ATOM 237 C1' DG A 8 -4.236 -4.871 -4.865 1.00 0.37 C ATOM 238 N9 DG A 8 -2.921 -4.198 -4.899 1.00 0.36 N ATOM 239 C8 DG A 8 -1.668 -4.773 -4.855 1.00 0.37 C ATOM 240 N7 DG A 8 -0.700 -3.898 -4.877 1.00 0.37 N ATOM 241 C5 DG A 8 -1.342 -2.674 -4.947 1.00 0.36 C ATOM 242 C6 DG A 8 -0.806 -1.354 -5.001 1.00 0.36 C ATOM 243 O6 DG A 8 0.381 -1.013 -4.995 1.00 0.37 O ATOM 244 N1 DG A 8 -1.813 -0.386 -5.069 1.00 0.38 N ATOM 245 C2 DG A 8 -3.167 -0.664 -5.088 1.00 0.39 C ATOM 246 N2 DG A 8 -4.005 0.381 -5.166 1.00 0.44 N ATOM 247 N3 DG A 8 -3.674 -1.892 -5.037 1.00 0.38 N ATOM 248 C4 DG A 8 -2.714 -2.843 -4.967 1.00 0.36 C ATOM 0 H5' DG A 8 -5.638 -6.776 -1.638 1.00 0.43 H new ATOM 0 H5'' DG A 8 -6.500 -7.920 -2.647 1.00 0.43 H new ATOM 0 H4' DG A 8 -6.498 -5.842 -3.659 1.00 0.40 H new ATOM 0 H3' DG A 8 -5.009 -7.979 -5.126 1.00 0.43 H new ATOM 0 H2' DG A 8 -3.508 -6.473 -6.144 1.00 0.39 H new ATOM 0 H2'' DG A 8 -4.893 -5.621 -6.799 1.00 0.39 H new ATOM 0 H1' DG A 8 -4.942 -4.072 -5.093 1.00 0.37 H new ATOM 0 H8 DG A 8 -1.505 -5.839 -4.807 1.00 0.37 H new ATOM 0 H1 DG A 8 -1.529 0.593 -5.107 1.00 0.38 H new ATOM 0 H21 DG A 8 -5.013 0.226 -5.183 1.00 0.44 H new ATOM 0 H22 DG A 8 -3.634 1.330 -5.208 1.00 0.44 H new ATOM 260 P DG A 9 -6.832 -7.582 -7.254 1.00 0.54 P ATOM 261 OP1 DG A 9 -8.005 -8.492 -7.301 1.00 0.70 O ATOM 262 OP2 DG A 9 -5.524 -8.124 -7.705 1.00 0.55 O ATOM 263 O5' DG A 9 -7.168 -6.264 -8.089 1.00 0.62 O ATOM 264 C5' DG A 9 -8.251 -5.415 -7.714 1.00 0.64 C ATOM 265 C4' DG A 9 -8.169 -4.074 -8.413 1.00 0.61 C ATOM 266 O4' DG A 9 -6.931 -3.412 -8.045 1.00 0.59 O ATOM 267 C3' DG A 9 -8.173 -4.136 -9.953 1.00 0.66 C ATOM 268 O3' DG A 9 -9.146 -3.226 -10.479 1.00 0.80 O ATOM 269 C2' DG A 9 -6.768 -3.689 -10.348 1.00 0.60 C ATOM 270 C1' DG A 9 -6.378 -2.793 -9.183 1.00 0.56 C ATOM 271 N9 DG A 9 -4.929 -2.629 -8.969 1.00 0.54 N ATOM 272 C8 DG A 9 -3.985 -3.622 -8.820 1.00 0.53 C ATOM 273 N7 DG A 9 -2.781 -3.158 -8.650 1.00 0.55 N ATOM 274 C5 DG A 9 -2.924 -1.787 -8.687 1.00 0.56 C ATOM 275 C6 DG A 9 -1.943 -0.764 -8.560 1.00 0.59 C ATOM 276 O6 DG A 9 -0.724 -0.897 -8.395 1.00 0.61 O ATOM 277 N1 DG A 9 -2.511 0.512 -8.653 1.00 0.61 N ATOM 278 C2 DG A 9 -3.856 0.762 -8.847 1.00 0.59 C ATOM 279 N2 DG A 9 -4.226 2.051 -8.902 1.00 0.61 N ATOM 280 N3 DG A 9 -4.777 -0.189 -8.971 1.00 0.57 N ATOM 281 C4 DG A 9 -4.245 -1.436 -8.882 1.00 0.55 C ATOM 0 H5' DG A 9 -8.241 -5.266 -6.634 1.00 0.64 H new ATOM 0 H5'' DG A 9 -9.196 -5.898 -7.960 1.00 0.64 H new ATOM 0 H4' DG A 9 -9.066 -3.545 -8.093 1.00 0.61 H new ATOM 0 H3' DG A 9 -8.422 -5.126 -10.335 1.00 0.66 H new ATOM 0 H2' DG A 9 -6.088 -4.534 -10.458 1.00 0.60 H new ATOM 0 H2'' DG A 9 -6.763 -3.150 -11.296 1.00 0.60 H new ATOM 0 H1' DG A 9 -6.744 -1.787 -9.388 1.00 0.56 H new ATOM 0 H8 DG A 9 -4.220 -4.676 -8.842 1.00 0.53 H new ATOM 0 H1 DG A 9 -1.887 1.315 -8.572 1.00 0.61 H new ATOM 0 H21 DG A 9 -5.206 2.295 -9.044 1.00 0.61 H new ATOM 0 H22 DG A 9 -3.527 2.787 -8.802 1.00 0.61 H new ATOM 293 P DT A 10 -10.496 -3.791 -11.134 1.00 0.10 P ATOM 294 OP1 DT A 10 -10.209 -5.082 -11.810 1.00 0.28 O ATOM 295 OP2 DT A 10 -11.113 -2.715 -11.950 1.00 0.46 O ATOM 296 O5' DT A 10 -11.412 -4.064 -9.857 1.00 0.15 O ATOM 297 C5' DT A 10 -12.033 -5.328 -9.653 1.00 0.28 C ATOM 298 C4' DT A 10 -12.790 -5.351 -8.345 1.00 0.26 C ATOM 299 O4' DT A 10 -14.176 -5.678 -8.613 1.00 0.57 O ATOM 300 C3' DT A 10 -12.312 -6.406 -7.345 1.00 0.22 C ATOM 301 O3' DT A 10 -12.583 -5.984 -6.005 1.00 0.30 O ATOM 302 C2' DT A 10 -13.164 -7.607 -7.703 1.00 0.49 C ATOM 303 C1' DT A 10 -14.493 -6.959 -8.080 1.00 0.73 C ATOM 304 N1 DT A 10 -15.280 -7.705 -9.081 1.00 0.19 N ATOM 305 C2 DT A 10 -16.585 -8.048 -8.757 1.00 0.68 C ATOM 306 O2 DT A 10 -17.105 -7.757 -7.693 1.00 0.79 O ATOM 307 N3 DT A 10 -17.258 -8.748 -9.734 1.00 3.15 N ATOM 308 C4 DT A 10 -16.768 -9.130 -10.973 1.00 3.22 C ATOM 309 O4 DT A 10 -17.488 -9.754 -11.748 1.00 3.71 O ATOM 310 C5 DT A 10 -15.395 -8.741 -11.248 1.00 0.77 C ATOM 311 C7 DT A 10 -14.785 -9.120 -12.563 1.00 0.98 C ATOM 312 C6 DT A 10 -14.721 -8.053 -10.306 1.00 0.26 C ATOM 0 H5' DT A 10 -11.277 -6.114 -9.655 1.00 0.28 H new ATOM 0 H5'' DT A 10 -12.715 -5.540 -10.476 1.00 0.28 H new ATOM 0 H4' DT A 10 -12.633 -4.364 -7.910 1.00 0.26 H new ATOM 0 H3' DT A 10 -11.240 -6.599 -7.392 1.00 0.22 H new ATOM 0 H2' DT A 10 -12.739 -8.175 -8.530 1.00 0.49 H new ATOM 0 H2'' DT A 10 -13.270 -8.295 -6.865 1.00 0.49 H new ATOM 0 H1' DT A 10 -15.115 -6.926 -7.186 1.00 0.73 H new ATOM 0 H3 DT A 10 -18.220 -9.014 -9.523 1.00 3.15 H new ATOM 0 H71 DT A 10 -14.043 -8.375 -12.848 1.00 0.98 H new ATOM 0 H72 DT A 10 -14.305 -10.095 -12.474 1.00 0.98 H new ATOM 0 H73 DT A 10 -15.563 -9.167 -13.325 1.00 0.98 H new ATOM 0 H6 DT A 10 -13.702 -7.759 -10.511 1.00 0.26 H new ATOM 325 P DT A 11 -11.631 -6.475 -4.813 1.00 0.20 P ATOM 326 OP1 DT A 11 -10.886 -7.686 -5.248 1.00 0.18 O ATOM 327 OP2 DT A 11 -12.436 -6.573 -3.569 1.00 0.55 O ATOM 328 O5' DT A 11 -10.607 -5.262 -4.674 1.00 0.19 O ATOM 329 C5' DT A 11 -11.073 -3.934 -4.473 1.00 0.97 C ATOM 330 C4' DT A 11 -9.935 -3.015 -4.145 1.00 0.80 C ATOM 331 O4' DT A 11 -9.291 -2.612 -5.372 1.00 0.68 O ATOM 332 C3' DT A 11 -10.336 -1.720 -3.428 1.00 0.78 C ATOM 333 O3' DT A 11 -9.506 -1.528 -2.279 1.00 0.83 O ATOM 334 C2' DT A 11 -10.073 -0.626 -4.456 1.00 0.68 C ATOM 335 C1' DT A 11 -8.976 -1.247 -5.294 1.00 0.59 C ATOM 336 N1 DT A 11 -8.842 -0.695 -6.647 1.00 0.59 N ATOM 337 C2 DT A 11 -7.602 -0.223 -7.029 1.00 0.55 C ATOM 338 O2 DT A 11 -6.634 -0.233 -6.289 1.00 0.52 O ATOM 339 N3 DT A 11 -7.542 0.276 -8.311 1.00 0.65 N ATOM 340 C4 DT A 11 -8.589 0.359 -9.220 1.00 0.79 C ATOM 341 O4 DT A 11 -8.396 0.838 -10.334 1.00 0.94 O ATOM 342 C5 DT A 11 -9.863 -0.153 -8.739 1.00 0.81 C ATOM 343 C7 DT A 11 -11.065 -0.105 -9.612 1.00 0.00 C ATOM 344 C6 DT A 11 -9.928 -0.651 -7.505 1.00 0.71 C ATOM 0 H5' DT A 11 -11.804 -3.919 -3.664 1.00 0.97 H new ATOM 0 H5'' DT A 11 -11.583 -3.583 -5.370 1.00 0.97 H new ATOM 0 H4' DT A 11 -9.293 -3.585 -3.473 1.00 0.80 H new ATOM 0 H3' DT A 11 -11.370 -1.728 -3.083 1.00 0.78 H new ATOM 0 H2' DT A 11 -10.960 -0.398 -5.047 1.00 0.68 H new ATOM 0 H2'' DT A 11 -9.753 0.306 -3.989 1.00 0.68 H new ATOM 0 H1' DT A 11 -8.017 -1.039 -4.820 1.00 0.59 H new ATOM 0 H3 DT A 11 -6.635 0.620 -8.626 1.00 0.65 H new ATOM 0 H71 DT A 11 -11.726 -0.937 -9.367 1.00 0.00 H new ATOM 0 H72 DT A 11 -11.592 0.836 -9.454 1.00 0.00 H new ATOM 0 H73 DT A 11 -10.760 -0.179 -10.656 1.00 0.00 H new ATOM 0 H6 DT A 11 -10.874 -1.039 -7.157 1.00 0.71 H new ATOM 357 P DG A 12 -10.023 -0.636 -1.053 1.00 0.93 P ATOM 358 OP1 DG A 12 -9.257 -1.002 0.165 1.00 0.17 O ATOM 359 OP2 DG A 12 -11.503 -0.729 -0.982 1.00 0.20 O ATOM 360 O5' DG A 12 -9.616 0.848 -1.485 1.00 0.73 O ATOM 361 C5' DG A 12 -10.054 1.960 -0.712 1.00 0.63 C ATOM 362 C4' DG A 12 -9.321 3.241 -1.073 1.00 0.56 C ATOM 363 O4' DG A 12 -7.939 3.146 -0.653 1.00 0.52 O ATOM 364 C3' DG A 12 -9.300 3.610 -2.546 1.00 0.53 C ATOM 365 O3' DG A 12 -9.554 5.006 -2.715 1.00 0.56 O ATOM 366 C2' DG A 12 -7.909 3.244 -2.996 1.00 0.49 C ATOM 367 C1' DG A 12 -7.088 3.487 -1.729 1.00 0.48 C ATOM 368 N9 DG A 12 -5.866 2.680 -1.626 1.00 0.44 N ATOM 369 C8 DG A 12 -5.769 1.323 -1.421 1.00 0.42 C ATOM 370 N7 DG A 12 -4.532 0.897 -1.392 1.00 0.40 N ATOM 371 C5 DG A 12 -3.771 2.044 -1.581 1.00 0.40 C ATOM 372 C6 DG A 12 -2.355 2.219 -1.639 1.00 0.42 C ATOM 373 O6 DG A 12 -1.474 1.361 -1.542 1.00 0.41 O ATOM 374 N1 DG A 12 -2.004 3.560 -1.840 1.00 0.44 N ATOM 375 C2 DG A 12 -2.910 4.597 -1.970 1.00 0.48 C ATOM 376 N2 DG A 12 -2.412 5.831 -2.140 1.00 0.54 N ATOM 377 N3 DG A 12 -4.227 4.438 -1.921 1.00 0.47 N ATOM 378 C4 DG A 12 -4.586 3.149 -1.725 1.00 0.43 C ATOM 0 H5' DG A 12 -9.905 1.745 0.346 1.00 0.63 H new ATOM 0 H5'' DG A 12 -11.124 2.103 -0.860 1.00 0.63 H new ATOM 0 H4' DG A 12 -9.887 4.017 -0.558 1.00 0.56 H new ATOM 0 H3' DG A 12 -10.066 3.095 -3.126 1.00 0.53 H new ATOM 0 H2' DG A 12 -7.848 2.208 -3.329 1.00 0.49 H new ATOM 0 H2'' DG A 12 -7.572 3.866 -3.825 1.00 0.49 H new ATOM 0 H1' DG A 12 -6.753 4.524 -1.732 1.00 0.48 H new ATOM 0 H8 DG A 12 -6.625 0.676 -1.297 1.00 0.42 H new ATOM 0 H1 DG A 12 -1.011 3.788 -1.894 1.00 0.44 H new ATOM 0 H21 DG A 12 -3.043 6.626 -2.240 1.00 0.54 H new ATOM 0 H22 DG A 12 -1.402 5.974 -2.169 1.00 0.54 H new ATOM 390 P DG A 13 -9.906 5.575 -4.170 1.00 0.60 P ATOM 391 OP1 DG A 13 -10.912 6.661 -4.035 1.00 0.69 O ATOM 392 OP2 DG A 13 -10.239 4.440 -5.069 1.00 0.66 O ATOM 393 O5' DG A 13 -8.519 6.209 -4.626 1.00 0.60 O ATOM 394 C5' DG A 13 -7.953 7.311 -3.927 1.00 0.68 C ATOM 395 C4' DG A 13 -6.701 7.799 -4.616 1.00 0.70 C ATOM 396 O4' DG A 13 -5.599 6.930 -4.278 1.00 0.65 O ATOM 397 C3' DG A 13 -6.771 7.818 -6.153 1.00 0.71 C ATOM 398 O3' DG A 13 -6.570 9.152 -6.627 1.00 0.90 O ATOM 399 C2' DG A 13 -5.635 6.899 -6.605 1.00 0.61 C ATOM 400 C1' DG A 13 -4.734 6.831 -5.382 1.00 0.59 C ATOM 401 N9 DG A 13 -4.009 5.567 -5.290 1.00 0.49 N ATOM 402 C8 DG A 13 -4.566 4.321 -5.186 1.00 0.46 C ATOM 403 N7 DG A 13 -3.675 3.363 -5.142 1.00 0.44 N ATOM 404 C5 DG A 13 -2.457 4.024 -5.222 1.00 0.44 C ATOM 405 C6 DG A 13 -1.125 3.513 -5.224 1.00 0.44 C ATOM 406 O6 DG A 13 -0.766 2.336 -5.153 1.00 0.47 O ATOM 407 N1 DG A 13 -0.174 4.534 -5.323 1.00 0.45 N ATOM 408 C2 DG A 13 -0.478 5.883 -5.409 1.00 0.48 C ATOM 409 N2 DG A 13 0.556 6.729 -5.498 1.00 0.51 N ATOM 410 N3 DG A 13 -1.718 6.367 -5.407 1.00 0.50 N ATOM 411 C4 DG A 13 -2.651 5.391 -5.313 1.00 0.46 C ATOM 0 H5' DG A 13 -7.719 7.017 -2.904 1.00 0.68 H new ATOM 0 H5'' DG A 13 -8.680 8.121 -3.867 1.00 0.68 H new ATOM 0 H4' DG A 13 -6.576 8.825 -4.269 1.00 0.70 H new ATOM 0 H3' DG A 13 -7.735 7.486 -6.539 1.00 0.71 H new ATOM 0 H2' DG A 13 -6.004 5.913 -6.889 1.00 0.61 H new ATOM 0 H2'' DG A 13 -5.110 7.304 -7.470 1.00 0.61 H new ATOM 0 H1' DG A 13 -3.985 7.622 -5.428 1.00 0.59 H new ATOM 0 H8 DG A 13 -5.631 4.146 -5.145 1.00 0.46 H new ATOM 0 H1 DG A 13 0.810 4.267 -5.333 1.00 0.45 H new ATOM 0 H21 DG A 13 0.389 7.733 -5.564 1.00 0.51 H new ATOM 0 H22 DG A 13 1.510 6.369 -5.500 1.00 0.51 H new ATOM 423 P DG A 14 -6.699 9.468 -8.193 1.00 0.01 P ATOM 424 OP1 DG A 14 -7.233 10.843 -8.365 1.00 0.29 O ATOM 425 OP2 DG A 14 -7.428 8.357 -8.855 1.00 0.08 O ATOM 426 O5' DG A 14 -5.176 9.445 -8.657 1.00 0.88 O ATOM 427 C5' DG A 14 -4.206 10.247 -7.996 1.00 0.81 C ATOM 428 C4' DG A 14 -2.806 9.881 -8.421 1.00 0.70 C ATOM 429 O4' DG A 14 -2.510 8.514 -8.038 1.00 0.72 O ATOM 430 C3' DG A 14 -2.559 9.947 -9.944 1.00 0.81 C ATOM 431 O3' DG A 14 -1.395 10.739 -10.208 1.00 0.24 O ATOM 432 C2' DG A 14 -2.266 8.463 -10.325 1.00 0.72 C ATOM 433 C1' DG A 14 -1.691 7.954 -9.028 1.00 0.63 C ATOM 434 N9 DG A 14 -1.658 6.495 -8.858 1.00 0.60 N ATOM 435 C8 DG A 14 -2.717 5.622 -8.724 1.00 0.60 C ATOM 436 N7 DG A 14 -2.333 4.377 -8.593 1.00 0.65 N ATOM 437 C5 DG A 14 -0.946 4.435 -8.639 1.00 0.65 C ATOM 438 C6 DG A 14 0.034 3.397 -8.545 1.00 0.70 C ATOM 439 O6 DG A 14 -0.149 2.186 -8.406 1.00 0.78 O ATOM 440 N1 DG A 14 1.337 3.900 -8.636 1.00 0.69 N ATOM 441 C2 DG A 14 1.652 5.237 -8.798 1.00 0.66 C ATOM 442 N2 DG A 14 2.955 5.556 -8.852 1.00 0.69 N ATOM 443 N3 DG A 14 0.748 6.204 -8.890 1.00 0.64 N ATOM 444 C4 DG A 14 -0.521 5.736 -8.801 1.00 0.62 C ATOM 0 H5' DG A 14 -4.304 10.124 -6.917 1.00 0.81 H new ATOM 0 H5'' DG A 14 -4.391 11.299 -8.215 1.00 0.81 H new ATOM 0 H4' DG A 14 -2.173 10.618 -7.927 1.00 0.70 H new ATOM 0 H3' DG A 14 -3.391 10.384 -10.496 1.00 0.81 H new ATOM 0 H2' DG A 14 -3.167 7.925 -10.618 1.00 0.72 H new ATOM 0 H2'' DG A 14 -1.561 8.379 -11.152 1.00 0.72 H new ATOM 0 H1' DG A 14 -0.640 8.239 -8.985 1.00 0.63 H new ATOM 0 H8 DG A 14 -3.752 5.932 -8.727 1.00 0.60 H new ATOM 0 H1 DG A 14 2.108 3.234 -8.579 1.00 0.69 H new ATOM 0 H21 DG A 14 3.237 6.529 -8.971 1.00 0.69 H new ATOM 0 H22 DG A 14 3.663 4.825 -8.774 1.00 0.69 H new ATOM 456 P DT A 15 -1.478 12.338 -10.123 1.00 0.61 P ATOM 457 OP1 DT A 15 -2.843 12.777 -10.509 1.00 0.98 O ATOM 458 OP2 DT A 15 -0.335 12.911 -10.875 1.00 0.20 O ATOM 459 O5' DT A 15 -1.266 12.613 -8.565 1.00 0.48 O ATOM 460 C5' DT A 15 -0.945 13.911 -8.081 1.00 0.48 C ATOM 461 C4' DT A 15 -0.130 13.826 -6.807 1.00 0.46 C ATOM 462 O4' DT A 15 0.875 14.870 -6.817 1.00 0.54 O ATOM 463 C3' DT A 15 -0.914 14.049 -5.512 1.00 0.46 C ATOM 464 O3' DT A 15 -0.272 13.371 -4.428 1.00 0.58 O ATOM 465 C2' DT A 15 -0.812 15.556 -5.320 1.00 0.63 C ATOM 466 C1' DT A 15 0.576 15.860 -5.837 1.00 0.63 C ATOM 467 N1 DT A 15 0.736 17.198 -6.441 1.00 0.92 N ATOM 468 C2 DT A 15 1.370 18.178 -5.690 1.00 0.33 C ATOM 469 O2 DT A 15 1.794 17.980 -4.561 1.00 0.51 O ATOM 470 N3 DT A 15 1.489 19.401 -6.313 1.00 0.68 N ATOM 471 C4 DT A 15 1.047 19.735 -7.583 1.00 0.74 C ATOM 472 O4 DT A 15 1.224 20.873 -8.011 1.00 3.16 O ATOM 473 C5 DT A 15 0.390 18.664 -8.316 1.00 0.42 C ATOM 474 C7 DT A 15 -0.119 18.941 -9.699 1.00 0.73 C ATOM 475 C6 DT A 15 0.265 17.460 -7.723 1.00 0.01 C ATOM 0 H5' DT A 15 -1.861 14.471 -7.895 1.00 0.48 H new ATOM 0 H5'' DT A 15 -0.386 14.458 -8.840 1.00 0.48 H new ATOM 0 H4' DT A 15 0.263 12.809 -6.805 1.00 0.46 H new ATOM 0 H3' DT A 15 -1.939 13.680 -5.549 1.00 0.46 H new ATOM 0 H2' DT A 15 -1.580 16.089 -5.881 1.00 0.63 H new ATOM 0 H2'' DT A 15 -0.926 15.840 -4.274 1.00 0.63 H new ATOM 0 H1' DT A 15 1.254 15.849 -4.984 1.00 0.63 H new ATOM 0 H3 DT A 15 1.952 20.139 -5.783 1.00 0.68 H new ATOM 0 H71 DT A 15 -0.082 18.026 -10.290 1.00 0.73 H new ATOM 0 H72 DT A 15 -1.148 19.296 -9.644 1.00 0.73 H new ATOM 0 H73 DT A 15 0.503 19.702 -10.170 1.00 0.73 H new ATOM 0 H6 DT A 15 -0.222 16.664 -8.267 1.00 0.01 H new ATOM 488 P DG A 16 -1.006 12.151 -3.694 1.00 0.40 P ATOM 489 OP1 DG A 16 -1.409 11.146 -4.711 1.00 0.59 O ATOM 490 OP2 DG A 16 -2.063 12.693 -2.804 1.00 0.75 O ATOM 491 O5' DG A 16 0.167 11.540 -2.801 1.00 0.10 O ATOM 492 C5' DG A 16 1.029 12.373 -2.028 1.00 0.82 C ATOM 493 C4' DG A 16 2.430 11.801 -1.965 1.00 0.56 C ATOM 494 O4' DG A 16 2.373 10.456 -1.413 1.00 0.53 O ATOM 495 C3' DG A 16 3.137 11.658 -3.322 1.00 0.60 C ATOM 496 O3' DG A 16 4.554 11.829 -3.170 1.00 0.57 O ATOM 497 C2' DG A 16 2.822 10.214 -3.696 1.00 0.64 C ATOM 498 C1' DG A 16 2.911 9.528 -2.343 1.00 0.49 C ATOM 499 N9 DG A 16 2.146 8.277 -2.247 1.00 0.47 N ATOM 500 C8 DG A 16 0.781 8.141 -2.193 1.00 0.49 C ATOM 501 N7 DG A 16 0.393 6.896 -2.111 1.00 0.48 N ATOM 502 C5 DG A 16 1.571 6.167 -2.111 1.00 0.45 C ATOM 503 C6 DG A 16 1.785 4.759 -2.040 1.00 0.45 C ATOM 504 O6 DG A 16 0.938 3.867 -1.962 1.00 0.46 O ATOM 505 N1 DG A 16 3.146 4.436 -2.069 1.00 0.44 N ATOM 506 C2 DG A 16 4.168 5.366 -2.158 1.00 0.45 C ATOM 507 N2 DG A 16 5.419 4.891 -2.167 1.00 0.46 N ATOM 508 N3 DG A 16 3.975 6.680 -2.225 1.00 0.46 N ATOM 509 C4 DG A 16 2.664 7.009 -2.197 1.00 0.45 C ATOM 0 H5' DG A 16 0.630 12.477 -1.019 1.00 0.82 H new ATOM 0 H5'' DG A 16 1.060 13.372 -2.463 1.00 0.82 H new ATOM 0 H4' DG A 16 2.991 12.512 -1.359 1.00 0.56 H new ATOM 0 H3' DG A 16 2.817 12.391 -4.063 1.00 0.60 H new ATOM 0 H2' DG A 16 1.834 10.112 -4.144 1.00 0.64 H new ATOM 0 H2'' DG A 16 3.539 9.809 -4.410 1.00 0.64 H new ATOM 0 H1' DG A 16 3.949 9.253 -2.159 1.00 0.49 H new ATOM 0 H8 DG A 16 0.098 8.977 -2.216 1.00 0.49 H new ATOM 0 H1 DG A 16 3.402 3.450 -2.021 1.00 0.44 H new ATOM 0 H21 DG A 16 6.208 5.534 -2.231 1.00 0.46 H new ATOM 0 H22 DG A 16 5.583 3.886 -2.110 1.00 0.46 H new ATOM 521 P DG A 17 5.487 11.932 -4.475 1.00 0.73 P ATOM 522 OP1 DG A 17 6.588 12.894 -4.205 1.00 0.90 O ATOM 523 OP2 DG A 17 4.629 12.194 -5.659 1.00 0.87 O ATOM 524 O5' DG A 17 6.103 10.460 -4.595 1.00 0.71 O ATOM 525 C5' DG A 17 7.304 10.102 -3.913 1.00 0.73 C ATOM 526 C4' DG A 17 7.846 8.766 -4.390 1.00 0.67 C ATOM 527 O4' DG A 17 6.839 7.736 -4.212 1.00 0.60 O ATOM 528 C3' DG A 17 8.251 8.702 -5.882 1.00 0.66 C ATOM 529 O3' DG A 17 9.579 8.176 -6.001 1.00 0.73 O ATOM 530 C2' DG A 17 7.233 7.744 -6.494 1.00 0.63 C ATOM 531 C1' DG A 17 6.881 6.861 -5.316 1.00 0.55 C ATOM 532 N9 DG A 17 5.591 6.153 -5.408 1.00 0.50 N ATOM 533 C8 DG A 17 4.335 6.702 -5.525 1.00 0.52 C ATOM 534 N7 DG A 17 3.387 5.810 -5.556 1.00 0.49 N ATOM 535 C5 DG A 17 4.043 4.599 -5.462 1.00 0.43 C ATOM 536 C6 DG A 17 3.524 3.272 -5.447 1.00 0.40 C ATOM 537 O6 DG A 17 2.338 2.921 -5.502 1.00 0.41 O ATOM 538 N1 DG A 17 4.544 2.315 -5.345 1.00 0.40 N ATOM 539 C2 DG A 17 5.896 2.619 -5.267 1.00 0.45 C ATOM 540 N2 DG A 17 6.751 1.590 -5.192 1.00 0.51 N ATOM 541 N3 DG A 17 6.381 3.858 -5.277 1.00 0.47 N ATOM 542 C4 DG A 17 5.409 4.791 -5.376 1.00 0.45 C ATOM 0 H5' DG A 17 7.113 10.055 -2.841 1.00 0.73 H new ATOM 0 H5'' DG A 17 8.055 10.876 -4.069 1.00 0.73 H new ATOM 0 H4' DG A 17 8.744 8.619 -3.790 1.00 0.67 H new ATOM 0 H3' DG A 17 8.253 9.676 -6.372 1.00 0.66 H new ATOM 0 H2' DG A 17 6.362 8.270 -6.884 1.00 0.63 H new ATOM 0 H2'' DG A 17 7.656 7.172 -7.320 1.00 0.63 H new ATOM 0 H1' DG A 17 7.621 6.064 -5.253 1.00 0.55 H new ATOM 0 H8 DG A 17 4.154 7.765 -5.585 1.00 0.52 H new ATOM 0 H1 DG A 17 4.275 1.331 -5.327 1.00 0.40 H new ATOM 0 H21 DG A 17 7.754 1.764 -5.133 1.00 0.51 H new ATOM 0 H22 DG A 17 6.398 0.633 -5.194 1.00 0.51 H new ATOM 554 P DG A 18 10.245 7.991 -7.451 1.00 0.84 P ATOM 555 OP1 DG A 18 11.704 8.258 -7.349 1.00 0.01 O ATOM 556 OP2 DG A 18 9.474 8.783 -8.442 1.00 0.93 O ATOM 557 O5' DG A 18 10.023 6.434 -7.738 1.00 0.82 O ATOM 558 C5' DG A 18 10.731 5.434 -7.007 1.00 0.75 C ATOM 559 C4' DG A 18 10.832 4.126 -7.836 1.00 0.69 C ATOM 560 O4' DG A 18 9.569 3.408 -7.714 1.00 0.64 O ATOM 561 C3' DG A 18 11.030 4.340 -9.328 1.00 0.71 C ATOM 562 O3' DG A 18 11.778 3.258 -9.896 1.00 0.75 O ATOM 563 C2' DG A 18 9.598 4.334 -9.844 1.00 0.67 C ATOM 564 C1' DG A 18 9.006 3.220 -8.994 1.00 0.59 C ATOM 565 N9 DG A 18 7.529 3.165 -8.857 1.00 0.55 N ATOM 566 C8 DG A 18 6.611 4.203 -8.791 1.00 0.59 C ATOM 567 N7 DG A 18 5.378 3.786 -8.677 1.00 0.56 N ATOM 568 C5 DG A 18 5.474 2.410 -8.662 1.00 0.50 C ATOM 569 C6 DG A 18 4.455 1.419 -8.553 1.00 0.51 C ATOM 570 O6 DG A 18 3.236 1.593 -8.459 1.00 0.58 O ATOM 571 N1 DG A 18 4.982 0.124 -8.570 1.00 0.49 N ATOM 572 C2 DG A 18 6.330 -0.172 -8.679 1.00 0.46 C ATOM 573 N2 DG A 18 6.666 -1.468 -8.664 1.00 0.47 N ATOM 574 N3 DG A 18 7.285 0.748 -8.785 1.00 0.46 N ATOM 575 C4 DG A 18 6.791 2.009 -8.769 1.00 0.48 C ATOM 0 H5' DG A 18 10.222 5.236 -6.064 1.00 0.75 H new ATOM 0 H5'' DG A 18 11.730 5.794 -6.761 1.00 0.75 H new ATOM 0 H4' DG A 18 11.699 3.595 -7.443 1.00 0.69 H new ATOM 0 H3' DG A 18 11.583 5.246 -9.576 1.00 0.71 H new ATOM 0 H2' DG A 18 9.096 5.288 -9.686 1.00 0.67 H new ATOM 0 H2'' DG A 18 9.542 4.117 -10.911 1.00 0.67 H new ATOM 0 H1' DG A 18 9.241 2.280 -9.494 1.00 0.59 H new ATOM 0 H8 DG A 18 6.887 5.247 -8.830 1.00 0.59 H new ATOM 0 H1 DG A 18 4.329 -0.656 -8.497 1.00 0.49 H new ATOM 0 H21 DG A 18 7.646 -1.742 -8.741 1.00 0.47 H new ATOM 0 H22 DG A 18 5.942 -2.181 -8.575 1.00 0.47 H new ATOM 587 P DG A 19 12.246 3.332 -11.431 1.00 0.85 P ATOM 588 OP1 DG A 19 13.474 2.515 -11.601 1.00 0.96 O ATOM 589 OP2 DG A 19 12.309 4.757 -11.847 1.00 0.95 O ATOM 590 O5' DG A 19 11.042 2.620 -12.200 1.00 0.78 O ATOM 591 C5' DG A 19 10.657 1.283 -11.888 1.00 0.68 C ATOM 592 C4' DG A 19 9.227 0.994 -12.307 1.00 0.56 C ATOM 593 O4' DG A 19 8.374 2.142 -12.022 1.00 0.58 O ATOM 594 C3' DG A 19 9.030 0.689 -13.785 1.00 0.60 C ATOM 595 O3' DG A 19 7.976 -0.265 -13.948 1.00 0.58 O ATOM 596 C2' DG A 19 8.611 2.053 -14.349 1.00 0.74 C ATOM 597 C1' DG A 19 7.711 2.552 -13.207 1.00 0.64 C ATOM 598 N9 DG A 19 7.455 4.015 -13.112 1.00 0.81 N ATOM 599 C8 DG A 19 8.310 5.087 -13.359 1.00 0.00 C ATOM 600 N7 DG A 19 7.752 6.245 -13.131 1.00 0.17 N ATOM 601 C5 DG A 19 6.465 5.943 -12.718 1.00 0.10 C ATOM 602 C6 DG A 19 5.390 6.803 -12.328 1.00 0.27 C ATOM 603 O6 DG A 19 5.373 8.039 -12.273 1.00 0.47 O ATOM 604 N1 DG A 19 4.246 6.079 -11.979 1.00 0.22 N ATOM 605 C2 DG A 19 4.147 4.703 -12.006 1.00 0.04 C ATOM 606 N2 DG A 19 2.967 4.186 -11.638 1.00 0.12 N ATOM 607 N3 DG A 19 5.140 3.893 -12.366 1.00 0.86 N ATOM 608 C4 DG A 19 6.264 4.574 -12.707 1.00 0.89 C ATOM 0 H5' DG A 19 10.762 1.116 -10.816 1.00 0.68 H new ATOM 0 H5'' DG A 19 11.330 0.586 -12.387 1.00 0.68 H new ATOM 0 H4' DG A 19 8.966 0.104 -11.735 1.00 0.56 H new ATOM 0 H3' DG A 19 9.908 0.267 -14.274 1.00 0.60 H new ATOM 0 H2' DG A 19 9.463 2.710 -14.525 1.00 0.74 H new ATOM 0 H2'' DG A 19 8.075 1.966 -15.294 1.00 0.74 H new ATOM 0 H1' DG A 19 6.719 2.136 -13.383 1.00 0.64 H new ATOM 0 H8 DG A 19 9.327 4.972 -13.703 1.00 0.00 H new ATOM 0 H1 DG A 19 3.425 6.606 -11.683 1.00 0.22 H new ATOM 0 H21 DG A 19 2.831 3.175 -11.637 1.00 0.12 H new ATOM 0 H22 DG A 19 2.205 4.803 -11.359 1.00 0.12 H new ATOM 620 P DA A 20 7.916 -1.160 -15.276 1.00 0.65 P ATOM 621 OP1 DA A 20 7.886 -2.595 -14.891 1.00 0.77 O ATOM 622 OP2 DA A 20 8.990 -0.720 -16.203 1.00 0.86 O ATOM 623 O5' DA A 20 6.504 -0.758 -15.892 1.00 0.76 O ATOM 624 C5' DA A 20 5.342 -1.544 -15.651 1.00 0.87 C ATOM 625 C4' DA A 20 4.131 -0.947 -16.326 1.00 0.93 C ATOM 626 O4' DA A 20 3.861 0.367 -15.761 1.00 0.97 O ATOM 627 C3' DA A 20 4.277 -0.731 -17.849 1.00 0.04 C ATOM 628 O3' DA A 20 3.071 -1.129 -18.508 1.00 0.24 O ATOM 629 C2' DA A 20 4.452 0.801 -17.954 1.00 0.21 C ATOM 630 C1' DA A 20 3.542 1.251 -16.806 1.00 0.13 C ATOM 631 N9 DA A 20 3.691 2.647 -16.308 1.00 0.19 N ATOM 632 C8 DA A 20 4.801 3.483 -16.311 1.00 0.26 C ATOM 633 N7 DA A 20 4.572 4.667 -15.795 1.00 0.36 N ATOM 634 C5 DA A 20 3.239 4.623 -15.420 1.00 0.35 C ATOM 635 C6 DA A 20 2.387 5.577 -14.808 1.00 0.46 C ATOM 636 N6 DA A 20 2.770 6.816 -14.487 1.00 0.59 N ATOM 637 N1 DA A 20 1.101 5.215 -14.560 1.00 0.48 N ATOM 638 C2 DA A 20 0.707 3.979 -14.912 1.00 0.41 C ATOM 639 N3 DA A 20 1.409 2.999 -15.497 1.00 0.30 N ATOM 640 C4 DA A 20 2.685 3.387 -15.727 1.00 0.26 C ATOM 0 H5' DA A 20 5.165 -1.617 -14.578 1.00 0.87 H new ATOM 0 H5'' DA A 20 5.503 -2.558 -16.017 1.00 0.87 H new ATOM 0 H4' DA A 20 3.334 -1.672 -16.158 1.00 0.93 H new ATOM 0 H3' DA A 20 5.091 -1.297 -18.301 1.00 0.04 H new ATOM 0 H2' DA A 20 5.487 1.113 -17.813 1.00 0.21 H new ATOM 0 H2'' DA A 20 4.130 1.192 -18.919 1.00 0.21 H new ATOM 0 H1' DA A 20 2.516 1.235 -17.172 1.00 0.13 H new ATOM 0 H8 DA A 20 5.763 3.186 -16.702 1.00 0.26 H new ATOM 0 H61 DA A 20 2.109 7.457 -14.048 1.00 0.59 H new ATOM 0 H62 DA A 20 3.724 7.121 -14.681 1.00 0.59 H new ATOM 0 H2 DA A 20 -0.323 3.742 -14.692 1.00 0.41 H new ATOM 652 P DA A 21 3.117 -1.636 -20.029 1.00 0.28 P ATOM 653 OP1 DA A 21 3.583 -3.048 -20.054 1.00 0.35 O ATOM 654 OP2 DA A 21 3.870 -0.651 -20.843 1.00 0.38 O ATOM 655 O5' DA A 21 1.574 -1.588 -20.449 1.00 0.27 O ATOM 656 C5' DA A 21 0.642 -2.560 -19.977 1.00 0.25 C ATOM 657 C4' DA A 21 0.420 -2.420 -18.492 1.00 0.18 C ATOM 658 O4' DA A 21 -0.802 -1.677 -18.280 1.00 0.28 O ATOM 659 C3' DA A 21 0.246 -3.750 -17.728 1.00 0.16 C ATOM 660 O3' DA A 21 1.157 -3.808 -16.621 1.00 0.08 O ATOM 661 C2' DA A 21 -1.210 -3.678 -17.213 1.00 0.31 C ATOM 662 C1' DA A 21 -1.433 -2.166 -17.131 1.00 0.33 C ATOM 663 N9 DA A 21 -2.844 -1.715 -17.143 1.00 0.47 N ATOM 664 C8 DA A 21 -3.995 -2.442 -16.910 1.00 0.61 C ATOM 665 N7 DA A 21 -5.096 -1.733 -16.986 1.00 0.75 N ATOM 666 C5 DA A 21 -4.650 -0.454 -17.287 1.00 0.69 C ATOM 667 C6 DA A 21 -5.329 0.770 -17.500 1.00 0.80 C ATOM 668 N6 DA A 21 -6.659 0.902 -17.443 1.00 0.97 N ATOM 669 N1 DA A 21 -4.581 1.869 -17.783 1.00 0.77 N ATOM 670 C2 DA A 21 -3.243 1.733 -17.844 1.00 0.64 C ATOM 671 N3 DA A 21 -2.496 0.643 -17.662 1.00 0.52 N ATOM 672 C4 DA A 21 -3.265 -0.429 -17.383 1.00 0.54 C ATOM 0 H5' DA A 21 1.011 -3.561 -20.200 1.00 0.25 H new ATOM 0 H5'' DA A 21 -0.306 -2.445 -20.502 1.00 0.25 H new ATOM 0 H4' DA A 21 1.318 -1.932 -18.112 1.00 0.18 H new ATOM 0 H3' DA A 21 0.442 -4.627 -18.344 1.00 0.16 H new ATOM 0 H2' DA A 21 -1.910 -4.159 -17.896 1.00 0.31 H new ATOM 0 H2'' DA A 21 -1.326 -4.163 -16.244 1.00 0.31 H new ATOM 0 H1' DA A 21 -1.049 -1.805 -16.177 1.00 0.33 H new ATOM 0 H8 DA A 21 -3.989 -3.498 -16.686 1.00 0.61 H new ATOM 0 H61 DA A 21 -7.089 1.813 -17.606 1.00 0.97 H new ATOM 0 H62 DA A 21 -7.243 0.092 -17.236 1.00 0.97 H new ATOM 0 H2 DA A 21 -2.696 2.636 -18.073 1.00 0.64 H new ATOM 684 P DT A 22 2.384 -4.849 -16.643 1.00 0.98 P ATOM 685 OP1 DT A 22 3.660 -4.093 -16.677 1.00 0.10 O ATOM 686 OP2 DT A 22 2.157 -5.844 -17.722 1.00 0.32 O ATOM 687 O5' DT A 22 2.265 -5.591 -15.231 1.00 0.23 O ATOM 688 C5' DT A 22 1.475 -5.080 -14.162 1.00 0.29 C ATOM 689 C4' DT A 22 2.185 -3.947 -13.454 1.00 0.23 C ATOM 690 O4' DT A 22 1.685 -2.687 -13.925 1.00 0.21 O ATOM 691 C3' DT A 22 1.949 -3.888 -11.953 1.00 0.34 C ATOM 692 O3' DT A 22 2.890 -4.715 -11.265 1.00 0.40 O ATOM 693 C2' DT A 22 2.185 -2.394 -11.616 1.00 0.33 C ATOM 694 C1' DT A 22 2.008 -1.676 -12.985 1.00 0.23 C ATOM 695 N1 DT A 22 0.931 -0.665 -12.996 1.00 0.25 N ATOM 696 C2 DT A 22 1.286 0.674 -13.075 1.00 0.26 C ATOM 697 O2 DT A 22 2.445 1.055 -13.120 1.00 0.28 O ATOM 698 N3 DT A 22 0.226 1.555 -13.086 1.00 0.29 N ATOM 699 C4 DT A 22 -1.122 1.237 -13.022 1.00 0.31 C ATOM 700 O4 DT A 22 -1.961 2.133 -13.036 1.00 0.34 O ATOM 701 C5 DT A 22 -1.423 -0.182 -12.941 1.00 0.32 C ATOM 702 C7 DT A 22 -2.852 -0.618 -12.880 1.00 0.39 C ATOM 703 C6 DT A 22 -0.399 -1.056 -12.930 1.00 0.30 C ATOM 0 H5' DT A 22 1.259 -5.878 -13.452 1.00 0.29 H new ATOM 0 H5'' DT A 22 0.518 -4.729 -14.548 1.00 0.29 H new ATOM 0 H4' DT A 22 3.240 -4.129 -13.661 1.00 0.23 H new ATOM 0 H3' DT A 22 0.961 -4.243 -11.658 1.00 0.34 H new ATOM 0 H2' DT A 22 1.469 -2.032 -10.878 1.00 0.33 H new ATOM 0 H2'' DT A 22 3.180 -2.229 -11.203 1.00 0.33 H new ATOM 0 HO3' DT A 22 2.961 -4.423 -10.332 1.00 0.40 H new ATOM 0 H1' DT A 22 2.929 -1.140 -13.214 1.00 0.23 H new ATOM 0 H3 DT A 22 0.458 2.546 -13.148 1.00 0.29 H new ATOM 0 H71 DT A 22 -2.953 -1.600 -13.341 1.00 0.39 H new ATOM 0 H72 DT A 22 -3.172 -0.671 -11.839 1.00 0.39 H new ATOM 0 H73 DT A 22 -3.474 0.099 -13.415 1.00 0.39 H new ATOM 0 H6 DT A 22 -0.623 -2.111 -12.867 1.00 0.30 H new TER 717 DT A 22