USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 186 hydrogens (13 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 2 DT C7 :methyl -30:sc= -0.468 (180deg=-1.59) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 180:sc= 0 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.542 (180deg=-1.23) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.76 (180deg=-2.34!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.767 -8.365 -1.073 1.00 0.00 O ATOM 2 C5' DG A 1 2.006 -8.800 -1.618 1.00 0.00 C ATOM 3 C4' DG A 1 3.227 -8.113 -0.982 1.00 0.00 C ATOM 4 O4' DG A 1 3.241 -6.727 -1.322 1.00 0.00 O ATOM 5 C3' DG A 1 3.284 -8.229 0.547 1.00 0.00 C ATOM 6 O3' DG A 1 4.628 -8.439 0.954 1.00 0.00 O ATOM 7 C2' DG A 1 2.740 -6.886 0.963 1.00 0.00 C ATOM 8 C1' DG A 1 3.240 -5.955 -0.130 1.00 0.00 C ATOM 9 N9 DG A 1 2.344 -4.787 -0.258 1.00 0.00 N ATOM 10 C8 DG A 1 0.992 -4.783 -0.471 1.00 0.00 C ATOM 11 N7 DG A 1 0.459 -3.595 -0.538 1.00 0.00 N ATOM 12 C5 DG A 1 1.539 -2.736 -0.310 1.00 0.00 C ATOM 13 C6 DG A 1 1.621 -1.302 -0.251 1.00 0.00 C ATOM 14 O6 DG A 1 0.747 -0.454 -0.425 1.00 0.00 O ATOM 15 N1 DG A 1 2.896 -0.844 0.030 1.00 0.00 N ATOM 16 C2 DG A 1 3.974 -1.653 0.227 1.00 0.00 C ATOM 17 N2 DG A 1 5.116 -1.078 0.510 1.00 0.00 N ATOM 18 N3 DG A 1 3.940 -2.984 0.166 1.00 0.00 N ATOM 19 C4 DG A 1 2.693 -3.467 -0.112 1.00 0.00 C ATOM 0 H5' DG A 1 2.009 -8.610 -2.691 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.095 -9.878 -1.485 1.00 0.00 H new ATOM 0 H4' DG A 1 4.096 -8.635 -1.383 1.00 0.00 H new ATOM 0 H3' DG A 1 2.729 -9.058 0.986 1.00 0.00 H new ATOM 0 H2' DG A 1 1.651 -6.892 1.020 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.109 -6.589 1.945 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.031 -8.835 -1.518 1.00 0.00 H new ATOM 0 H1' DG A 1 4.234 -5.566 0.090 1.00 0.00 H new ATOM 0 H8 DG A 1 0.414 -5.689 -0.575 1.00 0.00 H new ATOM 0 H1 DG A 1 3.038 0.164 0.094 1.00 0.00 H new ATOM 0 H21 DG A 1 5.949 -1.646 0.665 1.00 0.00 H new ATOM 0 H22 DG A 1 5.173 -0.062 0.575 1.00 0.00 H new ATOM 32 P DT A 2 5.044 -8.647 2.502 1.00 0.00 P ATOM 33 OP1 DT A 2 6.140 -9.637 2.546 1.00 0.00 O ATOM 34 OP2 DT A 2 3.812 -8.865 3.289 1.00 0.00 O ATOM 35 O5' DT A 2 5.642 -7.200 2.894 1.00 0.00 O ATOM 36 C5' DT A 2 6.857 -6.741 2.318 1.00 0.00 C ATOM 37 C4' DT A 2 7.369 -5.436 2.943 1.00 0.00 C ATOM 38 O4' DT A 2 6.465 -4.374 2.672 1.00 0.00 O ATOM 39 C3' DT A 2 7.573 -5.517 4.461 1.00 0.00 C ATOM 40 O3' DT A 2 8.776 -4.840 4.795 1.00 0.00 O ATOM 41 C2' DT A 2 6.335 -4.815 4.991 1.00 0.00 C ATOM 42 C1' DT A 2 6.072 -3.776 3.897 1.00 0.00 C ATOM 43 N1 DT A 2 4.654 -3.339 3.785 1.00 0.00 N ATOM 44 C2 DT A 2 4.395 -1.968 3.677 1.00 0.00 C ATOM 45 O2 DT A 2 5.260 -1.101 3.762 1.00 0.00 O ATOM 46 N3 DT A 2 3.088 -1.602 3.442 1.00 0.00 N ATOM 47 C4 DT A 2 2.020 -2.464 3.309 1.00 0.00 C ATOM 48 O4 DT A 2 0.919 -1.999 3.035 1.00 0.00 O ATOM 49 C5 DT A 2 2.343 -3.875 3.495 1.00 0.00 C ATOM 50 C7 DT A 2 1.246 -4.928 3.429 1.00 0.00 C ATOM 51 C6 DT A 2 3.626 -4.261 3.712 1.00 0.00 C ATOM 0 H5' DT A 2 6.710 -6.591 1.248 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.619 -7.513 2.430 1.00 0.00 H new ATOM 0 H4' DT A 2 8.342 -5.255 2.487 1.00 0.00 H new ATOM 0 H3' DT A 2 7.675 -6.521 4.872 1.00 0.00 H new ATOM 0 H2' DT A 2 5.497 -5.501 5.113 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.512 -4.351 5.961 1.00 0.00 H new ATOM 0 H1' DT A 2 6.634 -2.877 4.147 1.00 0.00 H new ATOM 0 H3 DT A 2 2.893 -0.604 3.359 1.00 0.00 H new ATOM 0 H71 DT A 2 0.304 -4.494 3.765 1.00 0.00 H new ATOM 0 H72 DT A 2 1.139 -5.278 2.402 1.00 0.00 H new ATOM 0 H73 DT A 2 1.508 -5.768 4.073 1.00 0.00 H new ATOM 0 H6 DT A 2 3.849 -5.311 3.830 1.00 0.00 H new ATOM 64 P DA A 3 9.380 -4.843 6.293 1.00 0.00 P ATOM 65 OP1 DA A 3 10.846 -4.684 6.193 1.00 0.00 O ATOM 66 OP2 DA A 3 8.805 -5.993 7.025 1.00 0.00 O ATOM 67 O5' DA A 3 8.760 -3.487 6.908 1.00 0.00 O ATOM 68 C5' DA A 3 9.242 -2.223 6.481 1.00 0.00 C ATOM 69 C4' DA A 3 8.571 -1.046 7.199 1.00 0.00 C ATOM 70 O4' DA A 3 7.246 -0.873 6.716 1.00 0.00 O ATOM 71 C3' DA A 3 8.510 -1.186 8.727 1.00 0.00 C ATOM 72 O3' DA A 3 9.033 0.014 9.274 1.00 0.00 O ATOM 73 C2' DA A 3 7.011 -1.358 8.978 1.00 0.00 C ATOM 74 C1' DA A 3 6.399 -0.586 7.811 1.00 0.00 C ATOM 75 N9 DA A 3 5.020 -1.002 7.461 1.00 0.00 N ATOM 76 C8 DA A 3 4.506 -2.271 7.339 1.00 0.00 C ATOM 77 N7 DA A 3 3.272 -2.318 6.916 1.00 0.00 N ATOM 78 C5 DA A 3 2.931 -0.966 6.789 1.00 0.00 C ATOM 79 C6 DA A 3 1.763 -0.271 6.396 1.00 0.00 C ATOM 80 N6 DA A 3 0.655 -0.870 5.994 1.00 0.00 N ATOM 81 N1 DA A 3 1.721 1.067 6.416 1.00 0.00 N ATOM 82 C2 DA A 3 2.821 1.714 6.792 1.00 0.00 C ATOM 83 N3 DA A 3 3.996 1.201 7.144 1.00 0.00 N ATOM 84 C4 DA A 3 3.984 -0.159 7.128 1.00 0.00 C ATOM 0 H5' DA A 3 9.082 -2.124 5.407 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.318 -2.176 6.648 1.00 0.00 H new ATOM 0 H4' DA A 3 9.198 -0.182 6.980 1.00 0.00 H new ATOM 0 H3' DA A 3 9.078 -2.005 9.169 1.00 0.00 H new ATOM 0 H2' DA A 3 6.715 -2.407 8.972 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.709 -0.947 9.941 1.00 0.00 H new ATOM 0 H1' DA A 3 6.325 0.469 8.074 1.00 0.00 H new ATOM 0 H8 DA A 3 5.077 -3.157 7.574 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.156 -0.314 5.723 1.00 0.00 H new ATOM 0 H62 DA A 3 0.611 -1.888 5.955 1.00 0.00 H new ATOM 0 H2 DA A 3 2.751 2.791 6.814 1.00 0.00 H new ATOM 96 P DC A 4 9.192 0.279 10.860 1.00 0.00 P ATOM 97 OP1 DC A 4 10.509 0.911 11.093 1.00 0.00 O ATOM 98 OP2 DC A 4 8.806 -0.942 11.598 1.00 0.00 O ATOM 99 O5' DC A 4 8.050 1.390 11.065 1.00 0.00 O ATOM 100 C5' DC A 4 8.144 2.638 10.394 1.00 0.00 C ATOM 101 C4' DC A 4 6.836 3.428 10.466 1.00 0.00 C ATOM 102 O4' DC A 4 5.783 2.624 9.957 1.00 0.00 O ATOM 103 C3' DC A 4 6.466 3.885 11.882 1.00 0.00 C ATOM 104 O3' DC A 4 6.131 5.265 11.842 1.00 0.00 O ATOM 105 C2' DC A 4 5.259 3.021 12.211 1.00 0.00 C ATOM 106 C1' DC A 4 4.678 2.751 10.824 1.00 0.00 C ATOM 107 N1 DC A 4 3.819 1.537 10.714 1.00 0.00 N ATOM 108 C2 DC A 4 2.607 1.654 10.031 1.00 0.00 C ATOM 109 O2 DC A 4 2.188 2.741 9.640 1.00 0.00 O ATOM 110 N3 DC A 4 1.844 0.557 9.797 1.00 0.00 N ATOM 111 C4 DC A 4 2.220 -0.609 10.282 1.00 0.00 C ATOM 112 N4 DC A 4 1.474 -1.634 9.960 1.00 0.00 N ATOM 113 C5 DC A 4 3.377 -0.764 11.096 1.00 0.00 C ATOM 114 C6 DC A 4 4.177 0.323 11.253 1.00 0.00 C ATOM 0 H5' DC A 4 8.408 2.469 9.350 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.948 3.227 10.835 1.00 0.00 H new ATOM 0 H4' DC A 4 6.983 4.329 9.871 1.00 0.00 H new ATOM 0 H3' DC A 4 7.259 3.779 12.622 1.00 0.00 H new ATOM 0 H2' DC A 4 5.542 2.101 12.721 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.550 3.539 12.857 1.00 0.00 H new ATOM 0 H1' DC A 4 4.011 3.576 10.575 1.00 0.00 H new ATOM 0 H41 DC A 4 1.711 -2.565 10.303 1.00 0.00 H new ATOM 0 H42 DC A 4 0.655 -1.502 9.366 1.00 0.00 H new ATOM 0 H5 DC A 4 3.610 -1.707 11.569 1.00 0.00 H new ATOM 0 H6 DC A 4 5.101 0.233 11.805 1.00 0.00 H new HETATM 126 P NCX A 5 6.075 6.173 13.177 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.216 7.587 12.770 1.00 0.00 O HETATM 128 OP2 NCX A 5 7.011 5.598 14.167 1.00 0.00 O HETATM 129 O5' NCX A 5 4.572 5.953 13.724 1.00 0.00 O HETATM 130 C5' NCX A 5 3.466 6.622 13.137 1.00 0.00 C HETATM 131 C4' NCX A 5 2.167 6.435 13.938 1.00 0.00 C HETATM 132 O4' NCX A 5 1.559 5.182 13.643 1.00 0.00 O HETATM 133 C1' NCX A 5 1.247 4.537 14.866 1.00 0.00 C HETATM 134 N9 NCX A 5 1.204 3.073 14.658 1.00 0.00 N HETATM 135 C8 NCX A 5 2.210 2.134 14.897 1.00 0.00 C HETATM 136 C7 NCX A 5 1.723 0.860 14.658 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.555 -0.358 14.723 1.00 0.00 C HETATM 138 O7 NCX A 5 3.688 -0.422 15.137 1.00 0.00 O HETATM 139 NH7 NCX A 5 2.030 -1.478 14.233 1.00 0.00 N HETATM 140 C5 NCX A 5 0.330 1.039 14.428 1.00 0.00 C HETATM 141 C4 NCX A 5 0.078 2.377 14.385 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.210 2.869 14.167 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.263 1.953 14.150 1.00 0.00 C HETATM 144 C1 NCX A 5 -2.025 0.576 14.322 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.161 -0.380 14.477 1.00 0.00 N HETATM 146 O11 NCX A 5 -4.290 0.081 14.544 1.00 0.00 O HETATM 147 O12 NCX A 5 -2.889 -1.568 14.496 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.701 0.114 14.396 1.00 0.00 C HETATM 149 C3' NCX A 5 2.370 6.505 15.459 1.00 0.00 C HETATM 150 C2' NCX A 5 2.308 5.033 15.847 1.00 0.00 C HETATM 151 O3' NCX A 5 1.287 7.238 16.001 1.00 0.00 O HETATM 0 HH72 NCX A 5 2.567 -2.345 14.255 1.00 0.00 H new HETATM 0 HH71 NCX A 5 1.091 -1.469 13.835 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.690 7.686 13.059 1.00 0.00 H new HETATM 0 H2'' NCX A 5 2.013 4.889 16.886 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.224 2.368 15.222 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.488 -0.955 14.428 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.319 6.252 12.122 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.528 7.264 13.633 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.285 6.987 15.803 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.388 3.934 14.015 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.265 4.528 15.715 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.283 2.308 14.002 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.261 4.771 15.268 1.00 0.00 H new ATOM 165 P DA A 6 1.308 7.872 17.482 1.00 0.00 P ATOM 166 OP1 DA A 6 1.564 9.323 17.376 1.00 0.00 O ATOM 167 OP2 DA A 6 2.128 7.022 18.370 1.00 0.00 O ATOM 168 O5' DA A 6 -0.226 7.646 17.889 1.00 0.00 O ATOM 169 C5' DA A 6 -1.277 8.242 17.149 1.00 0.00 C ATOM 170 C4' DA A 6 -2.631 7.612 17.498 1.00 0.00 C ATOM 171 O4' DA A 6 -2.619 6.232 17.147 1.00 0.00 O ATOM 172 C3' DA A 6 -2.995 7.731 18.980 1.00 0.00 C ATOM 173 O3' DA A 6 -4.395 7.946 19.077 1.00 0.00 O ATOM 174 C2' DA A 6 -2.528 6.385 19.520 1.00 0.00 C ATOM 175 C1' DA A 6 -2.670 5.440 18.323 1.00 0.00 C ATOM 176 N9 DA A 6 -1.628 4.379 18.272 1.00 0.00 N ATOM 177 C8 DA A 6 -0.280 4.450 18.559 1.00 0.00 C ATOM 178 N7 DA A 6 0.343 3.301 18.502 1.00 0.00 N ATOM 179 C5 DA A 6 -0.661 2.407 18.125 1.00 0.00 C ATOM 180 C6 DA A 6 -0.706 1.014 17.877 1.00 0.00 C ATOM 181 N6 DA A 6 0.342 0.208 17.979 1.00 0.00 N ATOM 182 N1 DA A 6 -1.847 0.429 17.496 1.00 0.00 N ATOM 183 C2 DA A 6 -2.929 1.197 17.371 1.00 0.00 C ATOM 184 N3 DA A 6 -3.038 2.503 17.586 1.00 0.00 N ATOM 185 C4 DA A 6 -1.857 3.057 17.966 1.00 0.00 C ATOM 0 H5' DA A 6 -1.084 8.127 16.082 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.308 9.312 17.354 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.381 8.163 16.931 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.546 8.555 19.535 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.498 6.431 19.873 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.139 6.058 20.362 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.619 4.911 18.416 1.00 0.00 H new ATOM 0 H8 DA A 6 0.218 5.375 18.809 1.00 0.00 H new ATOM 0 H61 DA A 6 0.240 -0.788 17.786 1.00 0.00 H new ATOM 0 H62 DA A 6 1.250 0.584 18.251 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.831 0.694 17.055 1.00 0.00 H new ATOM 197 P DC A 7 -5.170 8.079 20.488 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.337 8.966 20.299 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.181 8.360 21.550 1.00 0.00 O ATOM 200 O5' DC A 7 -5.705 6.573 20.676 1.00 0.00 O ATOM 201 C5' DC A 7 -6.660 6.033 19.777 1.00 0.00 C ATOM 202 C4' DC A 7 -6.905 4.538 20.008 1.00 0.00 C ATOM 203 O4' DC A 7 -5.705 3.808 19.763 1.00 0.00 O ATOM 204 C3' DC A 7 -7.381 4.184 21.426 1.00 0.00 C ATOM 205 O3' DC A 7 -8.394 3.198 21.317 1.00 0.00 O ATOM 206 C2' DC A 7 -6.093 3.679 22.036 1.00 0.00 C ATOM 207 C1' DC A 7 -5.522 2.911 20.842 1.00 0.00 C ATOM 208 N1 DC A 7 -4.090 2.533 20.996 1.00 0.00 N ATOM 209 C2 DC A 7 -3.699 1.220 20.706 1.00 0.00 C ATOM 210 O2 DC A 7 -4.497 0.380 20.295 1.00 0.00 O ATOM 211 N3 DC A 7 -2.410 0.836 20.893 1.00 0.00 N ATOM 212 C4 DC A 7 -1.539 1.704 21.374 1.00 0.00 C ATOM 213 N4 DC A 7 -0.306 1.285 21.512 1.00 0.00 N ATOM 214 C5 DC A 7 -1.886 3.047 21.696 1.00 0.00 C ATOM 215 C6 DC A 7 -3.168 3.427 21.482 1.00 0.00 C ATOM 0 H5' DC A 7 -6.319 6.188 18.753 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.601 6.573 19.884 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.703 4.269 19.316 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.827 4.981 22.021 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.440 4.489 22.363 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.264 3.039 22.901 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.022 1.951 20.710 1.00 0.00 H new ATOM 0 H41 DC A 7 0.408 1.914 21.879 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.060 0.330 21.252 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.156 3.735 22.095 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.468 4.442 21.695 1.00 0.00 H new ATOM 227 P DG A 8 -9.248 2.671 22.577 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.686 2.846 22.283 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.670 3.202 23.829 1.00 0.00 O ATOM 230 O5' DG A 8 -8.905 1.107 22.497 1.00 0.00 O ATOM 231 C5' DG A 8 -9.298 0.341 21.370 1.00 0.00 C ATOM 232 C4' DG A 8 -9.058 -1.157 21.587 1.00 0.00 C ATOM 233 O4' DG A 8 -7.663 -1.405 21.565 1.00 0.00 O ATOM 234 C3' DG A 8 -9.613 -1.658 22.932 1.00 0.00 C ATOM 235 O3' DG A 8 -10.100 -2.989 22.842 1.00 0.00 O ATOM 236 C2' DG A 8 -8.380 -1.629 23.824 1.00 0.00 C ATOM 237 C1' DG A 8 -7.268 -1.924 22.819 1.00 0.00 C ATOM 238 N9 DG A 8 -5.969 -1.347 23.219 1.00 0.00 N ATOM 239 C8 DG A 8 -5.621 -0.035 23.426 1.00 0.00 C ATOM 240 N7 DG A 8 -4.362 0.136 23.732 1.00 0.00 N ATOM 241 C5 DG A 8 -3.839 -1.164 23.741 1.00 0.00 C ATOM 242 C6 DG A 8 -2.514 -1.671 23.990 1.00 0.00 C ATOM 243 O6 DG A 8 -1.468 -1.069 24.229 1.00 0.00 O ATOM 244 N1 DG A 8 -2.442 -3.052 23.944 1.00 0.00 N ATOM 245 C2 DG A 8 -3.497 -3.868 23.675 1.00 0.00 C ATOM 246 N2 DG A 8 -3.279 -5.162 23.664 1.00 0.00 N ATOM 247 N3 DG A 8 -4.733 -3.439 23.430 1.00 0.00 N ATOM 248 C4 DG A 8 -4.836 -2.076 23.469 1.00 0.00 C ATOM 0 H5' DG A 8 -8.743 0.674 20.493 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.354 0.514 21.164 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.578 -1.688 20.789 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.451 -1.058 23.288 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.248 -0.662 24.309 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.428 -2.378 24.614 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.442 -3.272 23.716 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.123 -3.003 22.772 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.324 0.781 23.343 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.537 -3.488 24.124 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.045 -5.806 23.466 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.344 -5.523 23.853 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 5.096 -8.208 25.033 1.00 0.00 O ATOM 263 C5' DC B 9 4.298 -9.085 25.818 1.00 0.00 C ATOM 264 C4' DC B 9 2.835 -9.153 25.348 1.00 0.00 C ATOM 265 O4' DC B 9 2.198 -7.899 25.563 1.00 0.00 O ATOM 266 C3' DC B 9 2.676 -9.511 23.863 1.00 0.00 C ATOM 267 O3' DC B 9 1.579 -10.402 23.720 1.00 0.00 O ATOM 268 C2' DC B 9 2.398 -8.153 23.244 1.00 0.00 C ATOM 269 C1' DC B 9 1.576 -7.502 24.354 1.00 0.00 C ATOM 270 N1 DC B 9 1.525 -6.016 24.276 1.00 0.00 N ATOM 271 C2 DC B 9 0.277 -5.384 24.262 1.00 0.00 C ATOM 272 O2 DC B 9 -0.771 -6.024 24.294 1.00 0.00 O ATOM 273 N3 DC B 9 0.195 -4.032 24.216 1.00 0.00 N ATOM 274 C4 DC B 9 1.305 -3.318 24.147 1.00 0.00 C ATOM 275 N4 DC B 9 1.152 -2.017 24.102 1.00 0.00 N ATOM 276 C5 DC B 9 2.607 -3.906 24.180 1.00 0.00 C ATOM 277 C6 DC B 9 2.675 -5.261 24.255 1.00 0.00 C ATOM 0 H5' DC B 9 4.325 -8.758 26.858 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.730 -10.085 25.787 1.00 0.00 H new ATOM 0 H4' DC B 9 2.375 -9.949 25.934 1.00 0.00 H new ATOM 0 H3' DC B 9 3.529 -10.012 23.404 1.00 0.00 H new ATOM 0 H2' DC B 9 3.313 -7.601 23.028 1.00 0.00 H new ATOM 0 H2'' DC B 9 1.844 -8.230 22.309 1.00 0.00 H new ATOM 0 HO5' DC B 9 6.013 -8.204 25.378 1.00 0.00 H new ATOM 0 H1' DC B 9 0.538 -7.823 24.272 1.00 0.00 H new ATOM 0 H41 DC B 9 1.969 -1.409 24.048 1.00 0.00 H new ATOM 0 H42 DC B 9 0.216 -1.613 24.121 1.00 0.00 H new ATOM 0 H5 DC B 9 3.500 -3.299 24.147 1.00 0.00 H new ATOM 0 H6 DC B 9 3.638 -5.748 24.298 1.00 0.00 H new ATOM 290 P DG B 10 1.236 -11.119 22.314 1.00 0.00 P ATOM 291 OP1 DG B 10 0.559 -12.399 22.619 1.00 0.00 O ATOM 292 OP2 DG B 10 2.463 -11.109 21.490 1.00 0.00 O ATOM 293 O5' DG B 10 0.159 -10.118 21.644 1.00 0.00 O ATOM 294 C5' DG B 10 -1.195 -10.111 22.069 1.00 0.00 C ATOM 295 C4' DG B 10 -2.082 -9.160 21.251 1.00 0.00 C ATOM 296 O4' DG B 10 -1.822 -7.811 21.619 1.00 0.00 O ATOM 297 C3' DG B 10 -1.913 -9.282 19.727 1.00 0.00 C ATOM 298 O3' DG B 10 -3.190 -9.399 19.113 1.00 0.00 O ATOM 299 C2' DG B 10 -1.242 -7.964 19.377 1.00 0.00 C ATOM 300 C1' DG B 10 -1.820 -7.036 20.437 1.00 0.00 C ATOM 301 N9 DG B 10 -1.012 -5.812 20.618 1.00 0.00 N ATOM 302 C8 DG B 10 0.345 -5.696 20.772 1.00 0.00 C ATOM 303 N7 DG B 10 0.772 -4.472 20.907 1.00 0.00 N ATOM 304 C5 DG B 10 -0.394 -3.706 20.802 1.00 0.00 C ATOM 305 C6 DG B 10 -0.606 -2.285 20.838 1.00 0.00 C ATOM 306 O6 DG B 10 0.202 -1.375 21.008 1.00 0.00 O ATOM 307 N1 DG B 10 -1.930 -1.931 20.653 1.00 0.00 N ATOM 308 C2 DG B 10 -2.943 -2.818 20.456 1.00 0.00 C ATOM 309 N2 DG B 10 -4.146 -2.329 20.278 1.00 0.00 N ATOM 310 N3 DG B 10 -2.784 -4.140 20.416 1.00 0.00 N ATOM 311 C4 DG B 10 -1.487 -4.524 20.603 1.00 0.00 C ATOM 0 H5' DG B 10 -1.238 -9.823 23.120 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.596 -11.122 21.999 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.105 -9.454 21.486 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.344 -10.151 19.397 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.156 -8.029 19.437 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.486 -7.635 18.367 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.812 -6.683 20.155 1.00 0.00 H new ATOM 0 H8 DG B 10 1.007 -6.550 20.781 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.163 -0.938 20.665 1.00 0.00 H new ATOM 0 H21 DG B 10 -4.935 -2.958 20.127 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.293 -1.320 20.291 1.00 0.00 H new ATOM 323 P DT B 11 -3.363 -9.706 17.531 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.335 -10.812 17.388 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.020 -9.817 16.922 1.00 0.00 O ATOM 326 O5' DT B 11 -4.042 -8.351 16.979 1.00 0.00 O ATOM 327 C5' DT B 11 -5.418 -8.088 17.213 1.00 0.00 C ATOM 328 C4' DT B 11 -5.881 -6.765 16.590 1.00 0.00 C ATOM 329 O4' DT B 11 -5.218 -5.718 17.286 1.00 0.00 O ATOM 330 C3' DT B 11 -5.652 -6.659 15.088 1.00 0.00 C ATOM 331 O3' DT B 11 -6.883 -6.300 14.475 1.00 0.00 O ATOM 332 C2' DT B 11 -4.676 -5.507 15.007 1.00 0.00 C ATOM 333 C1' DT B 11 -4.719 -4.792 16.353 1.00 0.00 C ATOM 334 N1 DT B 11 -3.393 -4.280 16.787 1.00 0.00 N ATOM 335 C2 DT B 11 -3.300 -2.922 17.103 1.00 0.00 C ATOM 336 O2 DT B 11 -4.266 -2.168 17.168 1.00 0.00 O ATOM 337 N3 DT B 11 -2.036 -2.432 17.340 1.00 0.00 N ATOM 338 C4 DT B 11 -0.867 -3.163 17.329 1.00 0.00 C ATOM 339 O4 DT B 11 0.185 -2.568 17.540 1.00 0.00 O ATOM 340 C5 DT B 11 -1.041 -4.596 17.069 1.00 0.00 C ATOM 341 C7 DT B 11 0.154 -5.542 17.084 1.00 0.00 C ATOM 342 C6 DT B 11 -2.280 -5.097 16.809 1.00 0.00 C ATOM 0 H5' DT B 11 -5.602 -8.063 18.287 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.014 -8.905 16.806 1.00 0.00 H new ATOM 0 H4' DT B 11 -6.964 -6.699 16.696 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.295 -7.569 14.605 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.670 -5.868 14.794 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.948 -4.827 14.200 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.355 -3.911 16.271 1.00 0.00 H new ATOM 0 H3 DT B 11 -1.957 -1.435 17.543 1.00 0.00 H new ATOM 0 H71 DT B 11 1.049 -5.002 16.774 1.00 0.00 H new ATOM 0 H72 DT B 11 0.296 -5.933 18.092 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.027 -6.368 16.397 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.394 -6.153 16.616 1.00 0.00 H new ATOM 355 P DT B 12 -7.118 -6.368 12.877 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.530 -6.735 12.639 1.00 0.00 O ATOM 357 OP2 DT B 12 -6.029 -7.165 12.273 1.00 0.00 O ATOM 358 O5' DT B 12 -6.917 -4.834 12.436 1.00 0.00 O ATOM 359 C5' DT B 12 -7.776 -3.815 12.921 1.00 0.00 C ATOM 360 C4' DT B 12 -7.422 -2.445 12.330 1.00 0.00 C ATOM 361 O4' DT B 12 -6.072 -2.136 12.663 1.00 0.00 O ATOM 362 C3' DT B 12 -7.564 -2.388 10.799 1.00 0.00 C ATOM 363 O3' DT B 12 -8.119 -1.133 10.414 1.00 0.00 O ATOM 364 C2' DT B 12 -6.110 -2.512 10.369 1.00 0.00 C ATOM 365 C1' DT B 12 -5.427 -1.714 11.479 1.00 0.00 C ATOM 366 N1 DT B 12 -3.958 -1.924 11.544 1.00 0.00 N ATOM 367 C2 DT B 12 -3.145 -0.788 11.465 1.00 0.00 C ATOM 368 O2 DT B 12 -3.565 0.355 11.332 1.00 0.00 O ATOM 369 N3 DT B 12 -1.791 -0.969 11.630 1.00 0.00 N ATOM 370 C4 DT B 12 -1.187 -2.152 11.984 1.00 0.00 C ATOM 371 O4 DT B 12 -0.010 -2.134 12.346 1.00 0.00 O ATOM 372 C5 DT B 12 -2.068 -3.315 11.943 1.00 0.00 C ATOM 373 C7 DT B 12 -1.456 -4.677 12.160 1.00 0.00 C ATOM 374 C6 DT B 12 -3.408 -3.179 11.737 1.00 0.00 C ATOM 0 H5' DT B 12 -7.710 -3.770 14.008 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.809 -4.062 12.674 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.124 -1.726 12.752 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.217 -3.143 10.361 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.774 -3.548 10.335 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.931 -2.087 9.381 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.522 -0.642 11.306 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.187 -0.161 11.477 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.191 -5.337 12.621 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.145 -5.093 11.202 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.589 -4.586 12.814 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.042 -4.053 11.724 1.00 0.00 H new ATOM 387 P DG B 13 -8.771 -0.883 8.951 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.238 -0.789 9.111 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.189 -1.856 8.003 1.00 0.00 O ATOM 390 O5' DG B 13 -8.207 0.571 8.543 1.00 0.00 O ATOM 391 C5' DG B 13 -8.679 1.752 9.170 1.00 0.00 C ATOM 392 C4' DG B 13 -7.739 2.949 8.948 1.00 0.00 C ATOM 393 O4' DG B 13 -6.452 2.592 9.442 1.00 0.00 O ATOM 394 C3' DG B 13 -7.579 3.428 7.496 1.00 0.00 C ATOM 395 O3' DG B 13 -7.415 4.842 7.474 1.00 0.00 O ATOM 396 C2' DG B 13 -6.336 2.685 7.084 1.00 0.00 C ATOM 397 C1' DG B 13 -5.527 2.595 8.369 1.00 0.00 C ATOM 398 N9 DG B 13 -4.682 1.384 8.334 1.00 0.00 N ATOM 399 C8 DG B 13 -5.008 0.085 8.028 1.00 0.00 C ATOM 400 N7 DG B 13 -3.994 -0.738 8.034 1.00 0.00 N ATOM 401 C5 DG B 13 -2.908 0.082 8.352 1.00 0.00 C ATOM 402 C6 DG B 13 -1.522 -0.213 8.585 1.00 0.00 C ATOM 403 O6 DG B 13 -0.930 -1.292 8.596 1.00 0.00 O ATOM 404 N1 DG B 13 -0.781 0.905 8.909 1.00 0.00 N ATOM 405 C2 DG B 13 -1.286 2.168 8.988 1.00 0.00 C ATOM 406 N2 DG B 13 -0.468 3.154 9.255 1.00 0.00 N ATOM 407 N3 DG B 13 -2.559 2.480 8.778 1.00 0.00 N ATOM 408 C4 DG B 13 -3.323 1.388 8.492 1.00 0.00 C ATOM 0 H5' DG B 13 -8.789 1.573 10.240 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.669 1.994 8.784 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.201 3.784 9.475 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.424 3.238 6.834 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.572 1.697 6.690 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.791 3.217 6.304 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.849 3.439 8.492 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.016 -0.229 7.802 1.00 0.00 H new ATOM 0 H1 DG B 13 0.212 0.777 9.103 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.823 4.108 9.319 1.00 0.00 H new ATOM 0 H22 DG B 13 0.525 2.968 9.399 1.00 0.00 H new ATOM 420 P DT B 14 -7.187 5.692 6.112 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.972 6.940 6.213 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.374 4.793 4.953 1.00 0.00 O ATOM 423 O5' DT B 14 -5.618 6.076 6.193 1.00 0.00 O ATOM 424 C5' DT B 14 -5.146 6.969 7.192 1.00 0.00 C ATOM 425 C4' DT B 14 -3.649 7.299 7.073 1.00 0.00 C ATOM 426 O4' DT B 14 -2.882 6.113 7.239 1.00 0.00 O ATOM 427 C3' DT B 14 -3.241 7.950 5.745 1.00 0.00 C ATOM 428 O3' DT B 14 -2.278 8.964 6.002 1.00 0.00 O ATOM 429 C2' DT B 14 -2.665 6.774 4.979 1.00 0.00 C ATOM 430 C1' DT B 14 -2.054 5.933 6.102 1.00 0.00 C ATOM 431 N1 DT B 14 -1.966 4.482 5.787 1.00 0.00 N ATOM 432 C2 DT B 14 -0.747 3.832 6.012 1.00 0.00 C ATOM 433 O2 DT B 14 0.270 4.402 6.393 1.00 0.00 O ATOM 434 N3 DT B 14 -0.716 2.476 5.777 1.00 0.00 N ATOM 435 C4 DT B 14 -1.769 1.716 5.312 1.00 0.00 C ATOM 436 O4 DT B 14 -1.594 0.513 5.149 1.00 0.00 O ATOM 437 C5 DT B 14 -3.005 2.457 5.067 1.00 0.00 C ATOM 438 C7 DT B 14 -4.237 1.736 4.536 1.00 0.00 C ATOM 439 C6 DT B 14 -3.064 3.791 5.317 1.00 0.00 C ATOM 0 H5' DT B 14 -5.336 6.534 8.173 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.718 7.895 7.138 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.452 8.029 7.858 1.00 0.00 H new ATOM 0 H3' DT B 14 -4.043 8.443 5.196 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.433 6.228 4.432 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.917 7.088 4.251 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.028 6.265 6.262 1.00 0.00 H new ATOM 0 H3 DT B 14 0.162 1.991 5.963 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.927 0.892 3.920 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.836 1.375 5.372 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.831 2.425 3.935 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.989 4.321 5.144 1.00 0.00 H new ATOM 452 P DA B 15 -1.650 9.883 4.830 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.275 11.188 5.416 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.550 9.826 3.658 1.00 0.00 O ATOM 455 O5' DA B 15 -0.296 9.083 4.464 1.00 0.00 O ATOM 456 C5' DA B 15 0.806 9.077 5.359 1.00 0.00 C ATOM 457 C4' DA B 15 2.008 8.294 4.814 1.00 0.00 C ATOM 458 O4' DA B 15 1.719 6.901 4.806 1.00 0.00 O ATOM 459 C3' DA B 15 2.413 8.706 3.393 1.00 0.00 C ATOM 460 O3' DA B 15 3.806 8.980 3.364 1.00 0.00 O ATOM 461 C2' DA B 15 2.048 7.466 2.591 1.00 0.00 C ATOM 462 C1' DA B 15 2.231 6.344 3.611 1.00 0.00 C ATOM 463 N9 DA B 15 1.486 5.108 3.269 1.00 0.00 N ATOM 464 C8 DA B 15 0.176 4.986 2.869 1.00 0.00 C ATOM 465 N7 DA B 15 -0.217 3.757 2.662 1.00 0.00 N ATOM 466 C5 DA B 15 0.930 3.008 2.946 1.00 0.00 C ATOM 467 C6 DA B 15 1.230 1.626 2.943 1.00 0.00 C ATOM 468 N6 DA B 15 0.343 0.682 2.679 1.00 0.00 N ATOM 469 N1 DA B 15 2.464 1.194 3.229 1.00 0.00 N ATOM 470 C2 DA B 15 3.385 2.101 3.538 1.00 0.00 C ATOM 471 N3 DA B 15 3.247 3.423 3.595 1.00 0.00 N ATOM 472 C4 DA B 15 1.978 3.821 3.295 1.00 0.00 C ATOM 0 H5' DA B 15 0.495 8.642 6.309 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.109 10.104 5.563 1.00 0.00 H new ATOM 0 H4' DA B 15 2.840 8.525 5.479 1.00 0.00 H new ATOM 0 H3' DA B 15 1.931 9.606 3.010 1.00 0.00 H new ATOM 0 H2' DA B 15 1.025 7.511 2.217 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.698 7.337 1.726 1.00 0.00 H new ATOM 0 H1' DA B 15 3.274 6.031 3.668 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.475 5.837 2.737 1.00 0.00 H new ATOM 0 H61 DA B 15 0.623 -0.299 2.693 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.621 0.935 2.461 1.00 0.00 H new ATOM 0 H2 DA B 15 4.367 1.717 3.772 1.00 0.00 H new ATOM 484 P DC B 16 4.538 9.584 2.056 1.00 0.00 P ATOM 485 OP1 DC B 16 5.660 10.444 2.487 1.00 0.00 O ATOM 486 OP2 DC B 16 3.516 10.101 1.122 1.00 0.00 O ATOM 487 O5' DC B 16 5.155 8.248 1.414 1.00 0.00 O ATOM 488 C5' DC B 16 6.292 7.630 1.988 1.00 0.00 C ATOM 489 C4' DC B 16 6.655 6.345 1.242 1.00 0.00 C ATOM 490 O4' DC B 16 5.779 5.293 1.593 1.00 0.00 O ATOM 491 C3' DC B 16 6.572 6.458 -0.282 1.00 0.00 C ATOM 492 O3' DC B 16 7.743 7.021 -0.844 1.00 0.00 O ATOM 493 C2' DC B 16 6.413 4.996 -0.681 1.00 0.00 C ATOM 494 C1' DC B 16 5.810 4.325 0.561 1.00 0.00 C ATOM 495 N1 DC B 16 4.429 3.841 0.311 1.00 0.00 N ATOM 496 C2 DC B 16 4.198 2.464 0.247 1.00 0.00 C ATOM 497 O2 DC B 16 5.103 1.649 0.426 1.00 0.00 O ATOM 498 N3 DC B 16 2.959 1.996 -0.036 1.00 0.00 N ATOM 499 C4 DC B 16 1.974 2.853 -0.234 1.00 0.00 C ATOM 500 N4 DC B 16 0.794 2.324 -0.440 1.00 0.00 N ATOM 501 C5 DC B 16 2.156 4.269 -0.197 1.00 0.00 C ATOM 502 C6 DC B 16 3.406 4.726 0.080 1.00 0.00 C ATOM 0 H5' DC B 16 6.096 7.403 3.036 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.136 8.319 1.963 1.00 0.00 H new ATOM 0 H4' DC B 16 7.687 6.153 1.536 1.00 0.00 H new ATOM 0 H3' DC B 16 5.772 7.112 -0.629 1.00 0.00 H new ATOM 0 H2' DC B 16 5.760 4.889 -1.547 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.371 4.550 -0.948 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.646 7.072 -1.818 1.00 0.00 H new ATOM 0 H1' DC B 16 6.418 3.461 0.831 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.014 2.926 -0.600 1.00 0.00 H new ATOM 0 H42 DC B 16 0.683 1.310 -0.440 1.00 0.00 H new ATOM 0 H5 DC B 16 1.336 4.947 -0.381 1.00 0.00 H new ATOM 0 H6 DC B 16 3.594 5.789 0.118 1.00 0.00 H new TER 515 DC B 16