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 25:sc= 0.0721 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.816 (180deg=-2.14!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 32:sc= 0.0694 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.0347 (180deg=-1.18) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -1.02 (180deg=-2.72!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.845 -8.596 -1.213 1.00 0.00 O ATOM 2 C5' DG A 1 2.166 -9.077 -1.371 1.00 0.00 C ATOM 3 C4' DG A 1 3.161 -8.163 -0.644 1.00 0.00 C ATOM 4 O4' DG A 1 2.918 -6.805 -1.012 1.00 0.00 O ATOM 5 C3' DG A 1 3.078 -8.263 0.886 1.00 0.00 C ATOM 6 O3' DG A 1 4.388 -8.456 1.391 1.00 0.00 O ATOM 7 C2' DG A 1 2.487 -6.924 1.258 1.00 0.00 C ATOM 8 C1' DG A 1 2.992 -6.009 0.159 1.00 0.00 C ATOM 9 N9 DG A 1 2.146 -4.799 0.054 1.00 0.00 N ATOM 10 C8 DG A 1 0.788 -4.726 -0.115 1.00 0.00 C ATOM 11 N7 DG A 1 0.322 -3.515 -0.224 1.00 0.00 N ATOM 12 C5 DG A 1 1.452 -2.711 -0.046 1.00 0.00 C ATOM 13 C6 DG A 1 1.611 -1.282 -0.036 1.00 0.00 C ATOM 14 O6 DG A 1 0.782 -0.399 -0.249 1.00 0.00 O ATOM 15 N1 DG A 1 2.905 -0.885 0.243 1.00 0.00 N ATOM 16 C2 DG A 1 3.939 -1.743 0.468 1.00 0.00 C ATOM 17 N2 DG A 1 5.103 -1.218 0.758 1.00 0.00 N ATOM 18 N3 DG A 1 3.838 -3.072 0.429 1.00 0.00 N ATOM 19 C4 DG A 1 2.567 -3.496 0.167 1.00 0.00 C ATOM 0 H5' DG A 1 2.417 -9.127 -2.431 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.240 -10.091 -0.977 1.00 0.00 H new ATOM 0 H4' DG A 1 4.155 -8.494 -0.946 1.00 0.00 H new ATOM 0 H3' DG A 1 2.485 -9.087 1.284 1.00 0.00 H new ATOM 0 H2' DG A 1 1.398 -6.958 1.286 1.00 0.00 H new ATOM 0 H2'' DG A 1 2.821 -6.595 2.242 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.866 -7.631 -1.042 1.00 0.00 H new ATOM 0 H1' DG A 1 4.002 -5.642 0.341 1.00 0.00 H new ATOM 0 H8 DG A 1 0.156 -5.601 -0.155 1.00 0.00 H new ATOM 0 H1 DG A 1 3.099 0.116 0.283 1.00 0.00 H new ATOM 0 H21 DG A 1 5.905 -1.822 0.934 1.00 0.00 H new ATOM 0 H22 DG A 1 5.207 -0.205 0.808 1.00 0.00 H new ATOM 32 P DT A 2 4.697 -8.665 2.962 1.00 0.00 P ATOM 33 OP1 DT A 2 5.702 -9.741 3.088 1.00 0.00 O ATOM 34 OP2 DT A 2 3.411 -8.750 3.687 1.00 0.00 O ATOM 35 O5' DT A 2 5.394 -7.262 3.334 1.00 0.00 O ATOM 36 C5' DT A 2 6.640 -6.904 2.759 1.00 0.00 C ATOM 37 C4' DT A 2 7.215 -5.603 3.334 1.00 0.00 C ATOM 38 O4' DT A 2 6.357 -4.512 3.025 1.00 0.00 O ATOM 39 C3' DT A 2 7.412 -5.643 4.853 1.00 0.00 C ATOM 40 O3' DT A 2 8.632 -4.988 5.164 1.00 0.00 O ATOM 41 C2' DT A 2 6.191 -4.892 5.358 1.00 0.00 C ATOM 42 C1' DT A 2 5.955 -3.884 4.230 1.00 0.00 C ATOM 43 N1 DT A 2 4.544 -3.430 4.090 1.00 0.00 N ATOM 44 C2 DT A 2 4.311 -2.056 3.963 1.00 0.00 C ATOM 45 O2 DT A 2 5.189 -1.202 4.050 1.00 0.00 O ATOM 46 N3 DT A 2 3.014 -1.670 3.707 1.00 0.00 N ATOM 47 C4 DT A 2 1.934 -2.513 3.567 1.00 0.00 C ATOM 48 O4 DT A 2 0.848 -2.030 3.263 1.00 0.00 O ATOM 49 C5 DT A 2 2.227 -3.929 3.782 1.00 0.00 C ATOM 50 C7 DT A 2 1.109 -4.959 3.724 1.00 0.00 C ATOM 51 C6 DT A 2 3.501 -4.334 4.019 1.00 0.00 C ATOM 0 H5' DT A 2 6.519 -6.796 1.681 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.353 -7.712 2.920 1.00 0.00 H new ATOM 0 H4' DT A 2 8.195 -5.480 2.873 1.00 0.00 H new ATOM 0 H3' DT A 2 7.485 -6.635 5.298 1.00 0.00 H new ATOM 0 H2' DT A 2 5.336 -5.552 5.502 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.379 -4.401 6.313 1.00 0.00 H new ATOM 0 H1' DT A 2 6.529 -2.987 4.464 1.00 0.00 H new ATOM 0 H3 DT A 2 2.837 -0.670 3.613 1.00 0.00 H new ATOM 0 H71 DT A 2 0.174 -4.499 4.043 1.00 0.00 H new ATOM 0 H72 DT A 2 1.004 -5.325 2.703 1.00 0.00 H new ATOM 0 H73 DT A 2 1.347 -5.792 4.385 1.00 0.00 H new ATOM 0 H6 DT A 2 3.704 -5.386 4.155 1.00 0.00 H new ATOM 64 P DA A 3 9.251 -4.986 6.654 1.00 0.00 P ATOM 65 OP1 DA A 3 10.718 -4.848 6.536 1.00 0.00 O ATOM 66 OP2 DA A 3 8.671 -6.123 7.401 1.00 0.00 O ATOM 67 O5' DA A 3 8.656 -3.618 7.264 1.00 0.00 O ATOM 68 C5' DA A 3 9.160 -2.362 6.838 1.00 0.00 C ATOM 69 C4' DA A 3 8.533 -1.179 7.584 1.00 0.00 C ATOM 70 O4' DA A 3 7.218 -0.942 7.097 1.00 0.00 O ATOM 71 C3' DA A 3 8.459 -1.367 9.108 1.00 0.00 C ATOM 72 O3' DA A 3 9.025 -0.215 9.709 1.00 0.00 O ATOM 73 C2' DA A 3 6.953 -1.493 9.339 1.00 0.00 C ATOM 74 C1' DA A 3 6.367 -0.671 8.192 1.00 0.00 C ATOM 75 N9 DA A 3 4.979 -1.050 7.827 1.00 0.00 N ATOM 76 C8 DA A 3 4.435 -2.308 7.719 1.00 0.00 C ATOM 77 N7 DA A 3 3.205 -2.333 7.285 1.00 0.00 N ATOM 78 C5 DA A 3 2.904 -0.976 7.119 1.00 0.00 C ATOM 79 C6 DA A 3 1.766 -0.269 6.671 1.00 0.00 C ATOM 80 N6 DA A 3 0.663 -0.865 6.251 1.00 0.00 N ATOM 81 N1 DA A 3 1.758 1.070 6.635 1.00 0.00 N ATOM 82 C2 DA A 3 2.864 1.704 7.016 1.00 0.00 C ATOM 83 N3 DA A 3 4.015 1.173 7.426 1.00 0.00 N ATOM 84 C4 DA A 3 3.970 -0.188 7.458 1.00 0.00 C ATOM 0 H5' DA A 3 8.978 -2.248 5.769 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.240 -2.343 6.981 1.00 0.00 H new ATOM 0 H4' DA A 3 9.190 -0.330 7.395 1.00 0.00 H new ATOM 0 H3' DA A 3 8.996 -2.219 9.524 1.00 0.00 H new ATOM 0 H2' DA A 3 6.623 -2.531 9.303 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.658 -1.099 10.312 1.00 0.00 H new ATOM 0 H1' DA A 3 6.313 0.379 8.480 1.00 0.00 H new ATOM 0 H8 DA A 3 4.982 -3.204 7.973 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.131 -0.306 5.938 1.00 0.00 H new ATOM 0 H62 DA A 3 0.606 -1.883 6.240 1.00 0.00 H new ATOM 0 H2 DA A 3 2.824 2.783 6.990 1.00 0.00 H new ATOM 96 P DC A 4 9.093 0.015 11.308 1.00 0.00 P ATOM 97 OP1 DC A 4 10.379 0.674 11.625 1.00 0.00 O ATOM 98 OP2 DC A 4 8.699 -1.232 11.997 1.00 0.00 O ATOM 99 O5' DC A 4 7.912 1.095 11.466 1.00 0.00 O ATOM 100 C5' DC A 4 8.025 2.350 10.814 1.00 0.00 C ATOM 101 C4' DC A 4 6.743 3.179 10.871 1.00 0.00 C ATOM 102 O4' DC A 4 5.680 2.424 10.311 1.00 0.00 O ATOM 103 C3' DC A 4 6.340 3.613 12.285 1.00 0.00 C ATOM 104 O3' DC A 4 6.124 5.015 12.248 1.00 0.00 O ATOM 105 C2' DC A 4 5.042 2.854 12.535 1.00 0.00 C ATOM 106 C1' DC A 4 4.534 2.602 11.113 1.00 0.00 C ATOM 107 N1 DC A 4 3.660 1.404 10.982 1.00 0.00 N ATOM 108 C2 DC A 4 2.413 1.548 10.366 1.00 0.00 C ATOM 109 O2 DC A 4 2.009 2.638 9.964 1.00 0.00 O ATOM 110 N3 DC A 4 1.606 0.470 10.201 1.00 0.00 N ATOM 111 C4 DC A 4 1.990 -0.707 10.660 1.00 0.00 C ATOM 112 N4 DC A 4 1.169 -1.707 10.447 1.00 0.00 N ATOM 113 C5 DC A 4 3.242 -0.910 11.309 1.00 0.00 C ATOM 114 C6 DC A 4 4.060 0.166 11.433 1.00 0.00 C ATOM 0 H5' DC A 4 8.298 2.187 9.771 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.836 2.917 11.270 1.00 0.00 H new ATOM 0 H4' DC A 4 6.942 4.090 10.307 1.00 0.00 H new ATOM 0 H3' DC A 4 7.075 3.408 13.063 1.00 0.00 H new ATOM 0 H2' DC A 4 5.213 1.924 13.077 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.335 3.440 13.122 1.00 0.00 H new ATOM 0 H1' DC A 4 3.918 3.449 10.812 1.00 0.00 H new ATOM 0 H41 DC A 4 1.408 -2.642 10.777 1.00 0.00 H new ATOM 0 H42 DC A 4 0.291 -1.550 9.951 1.00 0.00 H new ATOM 0 H5 DC A 4 3.528 -1.880 11.687 1.00 0.00 H new ATOM 0 H6 DC A 4 5.032 0.050 11.889 1.00 0.00 H new HETATM 126 P NCX A 5 6.178 5.925 13.577 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.512 7.308 13.172 1.00 0.00 O HETATM 128 OP2 NCX A 5 7.002 5.234 14.593 1.00 0.00 O HETATM 129 O5' NCX A 5 4.647 5.893 14.058 1.00 0.00 O HETATM 130 C5' NCX A 5 3.662 6.679 13.407 1.00 0.00 C HETATM 131 C4' NCX A 5 2.295 6.569 14.092 1.00 0.00 C HETATM 132 O4' NCX A 5 1.634 5.373 13.697 1.00 0.00 O HETATM 133 C1' NCX A 5 1.133 4.741 14.861 1.00 0.00 C HETATM 134 N9 NCX A 5 0.959 3.293 14.613 1.00 0.00 N HETATM 135 C8 NCX A 5 1.792 2.230 14.953 1.00 0.00 C HETATM 136 C7 NCX A 5 1.192 1.033 14.582 1.00 0.00 C HETATM 137 CO7 NCX A 5 1.846 -0.267 14.844 1.00 0.00 C HETATM 138 O7 NCX A 5 2.951 -0.410 15.312 1.00 0.00 O HETATM 139 NH7 NCX A 5 1.173 -1.382 14.579 1.00 0.00 N HETATM 140 C5 NCX A 5 -0.042 1.400 13.955 1.00 0.00 C HETATM 141 C4 NCX A 5 -0.121 2.763 14.005 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.187 3.464 13.452 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.172 2.741 12.792 1.00 0.00 C HETATM 144 C1 NCX A 5 -2.090 1.343 12.687 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.087 0.609 11.865 1.00 0.00 N HETATM 146 O11 NCX A 5 -4.158 1.146 11.635 1.00 0.00 O HETATM 147 O12 NCX A 5 -2.754 -0.487 11.448 1.00 0.00 O HETATM 148 C6 NCX A 5 -1.033 0.657 13.314 1.00 0.00 C HETATM 149 C3' NCX A 5 2.387 6.574 15.625 1.00 0.00 C HETATM 150 C2' NCX A 5 2.132 5.109 15.953 1.00 0.00 C HETATM 151 O3' NCX A 5 1.371 7.435 16.107 1.00 0.00 O HETATM 0 HH72 NCX A 5 1.603 -2.291 14.751 1.00 0.00 H new HETATM 0 HH71 NCX A 5 0.226 -1.329 14.203 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.979 7.722 13.396 1.00 0.00 H new HETATM 0 H2'' NCX A 5 1.719 4.975 16.953 1.00 0.00 H new HETATM 0 H8 NCX A 5 2.765 2.323 15.436 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.990 -0.432 13.299 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.573 6.362 12.368 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.735 7.450 13.777 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.321 6.927 16.062 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.248 4.549 13.534 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.041 4.510 15.901 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.019 3.265 12.350 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.138 5.066 15.166 1.00 0.00 H new ATOM 165 P DA A 6 1.278 7.929 17.639 1.00 0.00 P ATOM 166 OP1 DA A 6 1.458 9.396 17.677 1.00 0.00 O ATOM 167 OP2 DA A 6 2.092 7.046 18.499 1.00 0.00 O ATOM 168 O5' DA A 6 -0.261 7.595 17.933 1.00 0.00 O ATOM 169 C5' DA A 6 -1.297 8.208 17.185 1.00 0.00 C ATOM 170 C4' DA A 6 -2.656 7.559 17.470 1.00 0.00 C ATOM 171 O4' DA A 6 -2.606 6.181 17.120 1.00 0.00 O ATOM 172 C3' DA A 6 -3.086 7.666 18.935 1.00 0.00 C ATOM 173 O3' DA A 6 -4.497 7.827 18.974 1.00 0.00 O ATOM 174 C2' DA A 6 -2.593 6.338 19.497 1.00 0.00 C ATOM 175 C1' DA A 6 -2.666 5.389 18.297 1.00 0.00 C ATOM 176 N9 DA A 6 -1.595 4.357 18.272 1.00 0.00 N ATOM 177 C8 DA A 6 -0.276 4.427 18.665 1.00 0.00 C ATOM 178 N7 DA A 6 0.378 3.298 18.567 1.00 0.00 N ATOM 179 C5 DA A 6 -0.574 2.416 18.046 1.00 0.00 C ATOM 180 C6 DA A 6 -0.573 1.047 17.685 1.00 0.00 C ATOM 181 N6 DA A 6 0.474 0.238 17.804 1.00 0.00 N ATOM 182 N1 DA A 6 -1.680 0.476 17.195 1.00 0.00 N ATOM 183 C2 DA A 6 -2.773 1.227 17.083 1.00 0.00 C ATOM 184 N3 DA A 6 -2.921 2.509 17.390 1.00 0.00 N ATOM 185 C4 DA A 6 -1.773 3.055 17.863 1.00 0.00 C ATOM 0 H5' DA A 6 -1.073 8.132 16.121 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.342 9.270 17.427 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.387 8.101 16.871 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.691 8.507 19.505 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.577 6.419 19.883 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.220 5.993 20.319 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.600 4.831 18.369 1.00 0.00 H new ATOM 0 H8 DA A 6 0.180 5.338 19.024 1.00 0.00 H new ATOM 0 H61 DA A 6 0.398 -0.739 17.522 1.00 0.00 H new ATOM 0 H62 DA A 6 1.354 0.594 18.177 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.649 0.730 16.693 1.00 0.00 H new ATOM 197 P DC A 7 -5.328 7.952 20.353 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.533 8.769 20.100 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.392 8.318 21.439 1.00 0.00 O ATOM 200 O5' DC A 7 -5.787 6.424 20.570 1.00 0.00 O ATOM 201 C5' DC A 7 -6.702 5.814 19.674 1.00 0.00 C ATOM 202 C4' DC A 7 -6.869 4.313 19.937 1.00 0.00 C ATOM 203 O4' DC A 7 -5.639 3.637 19.678 1.00 0.00 O ATOM 204 C3' DC A 7 -7.294 3.961 21.373 1.00 0.00 C ATOM 205 O3' DC A 7 -8.261 2.927 21.303 1.00 0.00 O ATOM 206 C2' DC A 7 -5.966 3.521 21.954 1.00 0.00 C ATOM 207 C1' DC A 7 -5.413 2.750 20.756 1.00 0.00 C ATOM 208 N1 DC A 7 -3.974 2.386 20.877 1.00 0.00 N ATOM 209 C2 DC A 7 -3.580 1.074 20.591 1.00 0.00 C ATOM 210 O2 DC A 7 -4.383 0.225 20.210 1.00 0.00 O ATOM 211 N3 DC A 7 -2.285 0.699 20.752 1.00 0.00 N ATOM 212 C4 DC A 7 -1.410 1.576 21.213 1.00 0.00 C ATOM 213 N4 DC A 7 -0.173 1.164 21.323 1.00 0.00 N ATOM 214 C5 DC A 7 -1.761 2.918 21.534 1.00 0.00 C ATOM 215 C6 DC A 7 -3.050 3.286 21.343 1.00 0.00 C ATOM 0 H5' DC A 7 -6.358 5.964 18.651 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.672 6.305 19.760 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.669 3.994 19.269 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.761 4.746 21.968 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.334 4.362 22.240 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.082 2.895 22.839 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.899 1.781 20.644 1.00 0.00 H new ATOM 0 H41 DC A 7 0.546 1.797 21.673 1.00 0.00 H new ATOM 0 H42 DC A 7 0.072 0.210 21.059 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.029 3.614 21.915 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.354 4.299 21.560 1.00 0.00 H new ATOM 227 P DG A 8 -9.051 2.367 22.592 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.504 2.495 22.351 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.447 2.915 23.824 1.00 0.00 O ATOM 230 O5' DG A 8 -8.662 0.813 22.502 1.00 0.00 O ATOM 231 C5' DG A 8 -9.071 0.028 21.393 1.00 0.00 C ATOM 232 C4' DG A 8 -8.758 -1.459 21.598 1.00 0.00 C ATOM 233 O4' DG A 8 -7.353 -1.647 21.546 1.00 0.00 O ATOM 234 C3' DG A 8 -9.261 -1.988 22.949 1.00 0.00 C ATOM 235 O3' DG A 8 -9.696 -3.334 22.840 1.00 0.00 O ATOM 236 C2' DG A 8 -8.017 -1.905 23.821 1.00 0.00 C ATOM 237 C1' DG A 8 -6.904 -2.132 22.797 1.00 0.00 C ATOM 238 N9 DG A 8 -5.642 -1.470 23.178 1.00 0.00 N ATOM 239 C8 DG A 8 -5.382 -0.137 23.381 1.00 0.00 C ATOM 240 N7 DG A 8 -4.136 0.119 23.683 1.00 0.00 N ATOM 241 C5 DG A 8 -3.525 -1.142 23.687 1.00 0.00 C ATOM 242 C6 DG A 8 -2.167 -1.556 23.927 1.00 0.00 C ATOM 243 O6 DG A 8 -1.166 -0.885 24.173 1.00 0.00 O ATOM 244 N1 DG A 8 -1.997 -2.927 23.862 1.00 0.00 N ATOM 245 C2 DG A 8 -2.993 -3.813 23.589 1.00 0.00 C ATOM 246 N2 DG A 8 -2.674 -5.084 23.518 1.00 0.00 N ATOM 247 N3 DG A 8 -4.260 -3.471 23.365 1.00 0.00 N ATOM 248 C4 DG A 8 -4.458 -2.119 23.416 1.00 0.00 C ATOM 0 H5' DG A 8 -8.570 0.383 20.492 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.142 0.155 21.234 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.269 -2.008 20.807 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.112 -1.430 23.338 1.00 0.00 H new ATOM 0 H2' DG A 8 -7.927 -0.938 24.315 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.014 -2.664 24.603 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.010 -3.648 23.714 1.00 0.00 H new ATOM 0 H1' DG A 8 -6.689 -3.199 22.747 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.138 0.630 23.299 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.062 -3.299 24.030 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.392 -5.779 23.315 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.708 -5.376 23.665 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 5.455 -8.008 25.053 1.00 0.00 O ATOM 263 C5' DC B 9 4.547 -9.051 25.351 1.00 0.00 C ATOM 264 C4' DC B 9 3.247 -8.870 24.556 1.00 0.00 C ATOM 265 O4' DC B 9 2.764 -7.540 24.740 1.00 0.00 O ATOM 266 C3' DC B 9 3.397 -9.089 23.044 1.00 0.00 C ATOM 267 O3' DC B 9 2.292 -9.878 22.633 1.00 0.00 O ATOM 268 C2' DC B 9 3.338 -7.663 22.506 1.00 0.00 C ATOM 269 C1' DC B 9 2.318 -7.074 23.479 1.00 0.00 C ATOM 270 N1 DC B 9 2.173 -5.587 23.495 1.00 0.00 N ATOM 271 C2 DC B 9 0.904 -5.063 23.773 1.00 0.00 C ATOM 272 O2 DC B 9 -0.075 -5.790 23.937 1.00 0.00 O ATOM 273 N3 DC B 9 0.715 -3.723 23.868 1.00 0.00 N ATOM 274 C4 DC B 9 1.732 -2.910 23.645 1.00 0.00 C ATOM 275 N4 DC B 9 1.484 -1.627 23.745 1.00 0.00 N ATOM 276 C5 DC B 9 3.046 -3.382 23.347 1.00 0.00 C ATOM 277 C6 DC B 9 3.229 -4.726 23.281 1.00 0.00 C ATOM 0 H5' DC B 9 4.330 -9.059 26.419 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.997 -10.014 25.110 1.00 0.00 H new ATOM 0 H4' DC B 9 2.563 -9.628 24.937 1.00 0.00 H new ATOM 0 H3' DC B 9 4.298 -9.602 22.707 1.00 0.00 H new ATOM 0 H2' DC B 9 4.302 -7.157 22.552 1.00 0.00 H new ATOM 0 H2'' DC B 9 3.003 -7.619 21.470 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.957 -7.189 24.849 1.00 0.00 H new ATOM 0 H1' DC B 9 1.319 -7.391 23.181 1.00 0.00 H new ATOM 0 H41 DC B 9 2.229 -0.949 23.584 1.00 0.00 H new ATOM 0 H42 DC B 9 0.546 -1.306 23.984 1.00 0.00 H new ATOM 0 H5 DC B 9 3.864 -2.696 23.180 1.00 0.00 H new ATOM 0 H6 DC B 9 4.208 -5.123 23.059 1.00 0.00 H new ATOM 290 P DG B 10 2.106 -10.413 21.123 1.00 0.00 P ATOM 291 OP1 DG B 10 1.815 -11.861 21.191 1.00 0.00 O ATOM 292 OP2 DG B 10 3.231 -9.917 20.303 1.00 0.00 O ATOM 293 O5' DG B 10 0.763 -9.634 20.685 1.00 0.00 O ATOM 294 C5' DG B 10 -0.491 -9.985 21.253 1.00 0.00 C ATOM 295 C4' DG B 10 -1.691 -9.287 20.594 1.00 0.00 C ATOM 296 O4' DG B 10 -1.723 -7.930 21.011 1.00 0.00 O ATOM 297 C3' DG B 10 -1.694 -9.315 19.060 1.00 0.00 C ATOM 298 O3' DG B 10 -3.040 -9.437 18.613 1.00 0.00 O ATOM 299 C2' DG B 10 -1.100 -7.957 18.736 1.00 0.00 C ATOM 300 C1' DG B 10 -1.686 -7.110 19.859 1.00 0.00 C ATOM 301 N9 DG B 10 -0.878 -5.912 20.143 1.00 0.00 N ATOM 302 C8 DG B 10 0.479 -5.806 20.292 1.00 0.00 C ATOM 303 N7 DG B 10 0.900 -4.592 20.511 1.00 0.00 N ATOM 304 C5 DG B 10 -0.273 -3.827 20.488 1.00 0.00 C ATOM 305 C6 DG B 10 -0.502 -2.415 20.627 1.00 0.00 C ATOM 306 O6 DG B 10 0.301 -1.503 20.813 1.00 0.00 O ATOM 307 N1 DG B 10 -1.839 -2.069 20.525 1.00 0.00 N ATOM 308 C2 DG B 10 -2.848 -2.956 20.310 1.00 0.00 C ATOM 309 N2 DG B 10 -4.062 -2.479 20.176 1.00 0.00 N ATOM 310 N3 DG B 10 -2.673 -4.265 20.162 1.00 0.00 N ATOM 311 C4 DG B 10 -1.365 -4.639 20.267 1.00 0.00 C ATOM 0 H5' DG B 10 -0.479 -9.740 22.315 1.00 0.00 H new ATOM 0 H5'' DG B 10 -0.624 -11.064 21.176 1.00 0.00 H new ATOM 0 H4' DG B 10 -2.569 -9.848 20.916 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.148 -10.134 18.593 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.010 -7.968 18.753 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.399 -7.600 17.751 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.675 -6.759 19.564 1.00 0.00 H new ATOM 0 H8 DG B 10 1.143 -6.655 20.233 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.084 -1.083 20.617 1.00 0.00 H new ATOM 0 H21 DG B 10 -4.844 -3.113 20.014 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.224 -1.474 20.234 1.00 0.00 H new ATOM 323 P DT B 11 -3.433 -9.525 17.048 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.489 -10.549 16.906 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.189 -9.630 16.255 1.00 0.00 O ATOM 326 O5' DT B 11 -4.083 -8.071 16.767 1.00 0.00 O ATOM 327 C5' DT B 11 -5.401 -7.768 17.206 1.00 0.00 C ATOM 328 C4' DT B 11 -5.945 -6.450 16.632 1.00 0.00 C ATOM 329 O4' DT B 11 -5.278 -5.383 17.301 1.00 0.00 O ATOM 330 C3' DT B 11 -5.777 -6.343 15.120 1.00 0.00 C ATOM 331 O3' DT B 11 -7.013 -6.036 14.484 1.00 0.00 O ATOM 332 C2' DT B 11 -4.853 -5.150 14.988 1.00 0.00 C ATOM 333 C1' DT B 11 -4.723 -4.495 16.357 1.00 0.00 C ATOM 334 N1 DT B 11 -3.338 -4.093 16.714 1.00 0.00 N ATOM 335 C2 DT B 11 -3.139 -2.755 17.067 1.00 0.00 C ATOM 336 O2 DT B 11 -4.034 -1.917 17.124 1.00 0.00 O ATOM 337 N3 DT B 11 -1.848 -2.349 17.278 1.00 0.00 N ATOM 338 C4 DT B 11 -0.723 -3.122 17.125 1.00 0.00 C ATOM 339 O4 DT B 11 0.368 -2.589 17.311 1.00 0.00 O ATOM 340 C5 DT B 11 -0.986 -4.509 16.735 1.00 0.00 C ATOM 341 C7 DT B 11 0.175 -5.456 16.492 1.00 0.00 C ATOM 342 C6 DT B 11 -2.265 -4.946 16.549 1.00 0.00 C ATOM 0 H5' DT B 11 -5.410 -7.713 18.295 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.067 -8.582 16.922 1.00 0.00 H new ATOM 0 H4' DT B 11 -7.021 -6.405 16.803 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.413 -7.265 14.668 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.875 -5.465 14.623 1.00 0.00 H new ATOM 0 H2'' DT B 11 -5.250 -4.440 14.263 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.266 -3.550 16.344 1.00 0.00 H new ATOM 0 H3 DT B 11 -1.709 -1.384 17.576 1.00 0.00 H new ATOM 0 H71 DT B 11 1.035 -4.892 16.130 1.00 0.00 H new ATOM 0 H72 DT B 11 0.436 -5.958 17.424 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.111 -6.199 15.747 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.441 -5.974 16.269 1.00 0.00 H new ATOM 355 P DT B 12 -7.205 -6.185 12.879 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.471 -6.910 12.634 1.00 0.00 O ATOM 357 OP2 DT B 12 -5.940 -6.684 12.296 1.00 0.00 O ATOM 358 O5' DT B 12 -7.386 -4.671 12.371 1.00 0.00 O ATOM 359 C5' DT B 12 -8.598 -3.960 12.573 1.00 0.00 C ATOM 360 C4' DT B 12 -8.496 -2.491 12.124 1.00 0.00 C ATOM 361 O4' DT B 12 -7.465 -1.871 12.868 1.00 0.00 O ATOM 362 C3' DT B 12 -8.189 -2.281 10.639 1.00 0.00 C ATOM 363 O3' DT B 12 -8.794 -1.078 10.177 1.00 0.00 O ATOM 364 C2' DT B 12 -6.670 -2.202 10.647 1.00 0.00 C ATOM 365 C1' DT B 12 -6.336 -1.638 12.041 1.00 0.00 C ATOM 366 N1 DT B 12 -5.114 -2.173 12.736 1.00 0.00 N ATOM 367 C2 DT B 12 -4.602 -1.360 13.757 1.00 0.00 C ATOM 368 O2 DT B 12 -5.184 -0.394 14.238 1.00 0.00 O ATOM 369 N3 DT B 12 -3.339 -1.648 14.217 1.00 0.00 N ATOM 370 C4 DT B 12 -2.474 -2.574 13.677 1.00 0.00 C ATOM 371 O4 DT B 12 -1.327 -2.623 14.113 1.00 0.00 O ATOM 372 C5 DT B 12 -3.054 -3.408 12.631 1.00 0.00 C ATOM 373 C7 DT B 12 -2.197 -4.451 11.929 1.00 0.00 C ATOM 374 C6 DT B 12 -4.351 -3.234 12.254 1.00 0.00 C ATOM 0 H5' DT B 12 -8.867 -3.997 13.629 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.401 -4.451 12.023 1.00 0.00 H new ATOM 0 H4' DT B 12 -9.481 -2.059 12.298 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.570 -3.057 9.975 1.00 0.00 H new ATOM 0 H2' DT B 12 -6.218 -3.182 10.494 1.00 0.00 H new ATOM 0 H2'' DT B 12 -6.299 -1.553 9.854 1.00 0.00 H new ATOM 0 H1' DT B 12 -6.099 -0.587 11.875 1.00 0.00 H new ATOM 0 H3 DT B 12 -3.013 -1.129 15.032 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.824 -5.285 11.614 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.722 -4.004 11.056 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.430 -4.813 12.614 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.798 -3.935 11.565 1.00 0.00 H new ATOM 387 P DG B 13 -9.043 -0.789 8.603 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.492 -0.582 8.400 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.327 -1.816 7.817 1.00 0.00 O ATOM 390 O5' DG B 13 -8.291 0.613 8.342 1.00 0.00 O ATOM 391 C5' DG B 13 -8.796 1.830 8.865 1.00 0.00 C ATOM 392 C4' DG B 13 -7.840 3.014 8.639 1.00 0.00 C ATOM 393 O4' DG B 13 -6.577 2.695 9.216 1.00 0.00 O ATOM 394 C3' DG B 13 -7.602 3.414 7.173 1.00 0.00 C ATOM 395 O3' DG B 13 -7.427 4.825 7.101 1.00 0.00 O ATOM 396 C2' DG B 13 -6.347 2.638 6.863 1.00 0.00 C ATOM 397 C1' DG B 13 -5.603 2.630 8.189 1.00 0.00 C ATOM 398 N9 DG B 13 -4.751 1.426 8.288 1.00 0.00 N ATOM 399 C8 DG B 13 -5.059 0.108 8.042 1.00 0.00 C ATOM 400 N7 DG B 13 -4.041 -0.704 8.131 1.00 0.00 N ATOM 401 C5 DG B 13 -2.972 0.137 8.449 1.00 0.00 C ATOM 402 C6 DG B 13 -1.585 -0.135 8.714 1.00 0.00 C ATOM 403 O6 DG B 13 -0.990 -1.211 8.777 1.00 0.00 O ATOM 404 N1 DG B 13 -0.850 1.009 8.962 1.00 0.00 N ATOM 405 C2 DG B 13 -1.374 2.263 9.024 1.00 0.00 C ATOM 406 N2 DG B 13 -0.565 3.250 9.319 1.00 0.00 N ATOM 407 N3 DG B 13 -2.651 2.552 8.799 1.00 0.00 N ATOM 408 C4 DG B 13 -3.401 1.444 8.524 1.00 0.00 C ATOM 0 H5' DG B 13 -8.978 1.714 9.933 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.757 2.050 8.400 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.329 3.869 9.106 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.408 3.196 6.472 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.573 1.627 6.523 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.763 3.116 6.077 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.931 3.484 8.279 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.056 -0.226 7.797 1.00 0.00 H new ATOM 0 H1 DG B 13 0.154 0.906 9.109 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.923 4.204 9.374 1.00 0.00 H new ATOM 0 H22 DG B 13 0.423 3.065 9.493 1.00 0.00 H new ATOM 420 P DT B 14 -7.115 5.616 5.721 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.919 6.858 5.713 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.207 4.667 4.591 1.00 0.00 O ATOM 423 O5' DT B 14 -5.562 6.023 5.900 1.00 0.00 O ATOM 424 C5' DT B 14 -5.169 6.943 6.909 1.00 0.00 C ATOM 425 C4' DT B 14 -3.671 7.289 6.881 1.00 0.00 C ATOM 426 O4' DT B 14 -2.902 6.115 7.111 1.00 0.00 O ATOM 427 C3' DT B 14 -3.190 7.926 5.571 1.00 0.00 C ATOM 428 O3' DT B 14 -2.239 8.940 5.871 1.00 0.00 O ATOM 429 C2' DT B 14 -2.573 6.739 4.852 1.00 0.00 C ATOM 430 C1' DT B 14 -2.021 5.916 6.018 1.00 0.00 C ATOM 431 N1 DT B 14 -1.917 4.459 5.734 1.00 0.00 N ATOM 432 C2 DT B 14 -0.708 3.817 6.029 1.00 0.00 C ATOM 433 O2 DT B 14 0.291 4.398 6.437 1.00 0.00 O ATOM 434 N3 DT B 14 -0.668 2.454 5.836 1.00 0.00 N ATOM 435 C4 DT B 14 -1.704 1.680 5.356 1.00 0.00 C ATOM 436 O4 DT B 14 -1.532 0.472 5.252 1.00 0.00 O ATOM 437 C5 DT B 14 -2.923 2.414 5.024 1.00 0.00 C ATOM 438 C7 DT B 14 -4.124 1.676 4.451 1.00 0.00 C ATOM 439 C6 DT B 14 -2.992 3.755 5.229 1.00 0.00 C ATOM 0 H5' DT B 14 -5.418 6.527 7.885 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.747 7.860 6.797 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.531 8.030 7.668 1.00 0.00 H new ATOM 0 H3' DT B 14 -3.959 8.415 4.973 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.311 6.183 4.273 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.788 7.044 4.160 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.004 6.252 6.221 1.00 0.00 H new ATOM 0 H3 DT B 14 0.203 1.976 6.068 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.782 0.814 3.879 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.767 1.340 5.265 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.685 2.345 3.799 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.905 4.281 4.992 1.00 0.00 H new ATOM 452 P DA B 15 -1.547 9.849 4.727 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.203 11.158 5.322 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.383 9.786 3.509 1.00 0.00 O ATOM 455 O5' DA B 15 -0.176 9.046 4.440 1.00 0.00 O ATOM 456 C5' DA B 15 0.877 9.045 5.391 1.00 0.00 C ATOM 457 C4' DA B 15 2.094 8.238 4.921 1.00 0.00 C ATOM 458 O4' DA B 15 1.779 6.852 4.891 1.00 0.00 O ATOM 459 C3' DA B 15 2.599 8.643 3.530 1.00 0.00 C ATOM 460 O3' DA B 15 3.999 8.886 3.593 1.00 0.00 O ATOM 461 C2' DA B 15 2.259 7.414 2.704 1.00 0.00 C ATOM 462 C1' DA B 15 2.354 6.287 3.730 1.00 0.00 C ATOM 463 N9 DA B 15 1.605 5.066 3.342 1.00 0.00 N ATOM 464 C8 DA B 15 0.322 4.970 2.858 1.00 0.00 C ATOM 465 N7 DA B 15 -0.092 3.750 2.651 1.00 0.00 N ATOM 466 C5 DA B 15 1.016 2.976 3.017 1.00 0.00 C ATOM 467 C6 DA B 15 1.278 1.587 3.058 1.00 0.00 C ATOM 468 N6 DA B 15 0.382 0.660 2.766 1.00 0.00 N ATOM 469 N1 DA B 15 2.481 1.129 3.421 1.00 0.00 N ATOM 470 C2 DA B 15 3.409 2.017 3.763 1.00 0.00 C ATOM 471 N3 DA B 15 3.302 3.344 3.791 1.00 0.00 N ATOM 472 C4 DA B 15 2.063 3.767 3.413 1.00 0.00 C ATOM 0 H5' DA B 15 0.512 8.631 6.331 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.182 10.072 5.591 1.00 0.00 H new ATOM 0 H4' DA B 15 2.886 8.452 5.639 1.00 0.00 H new ATOM 0 H3' DA B 15 2.163 9.554 3.119 1.00 0.00 H new ATOM 0 H2' DA B 15 1.263 7.482 2.267 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.959 7.273 1.880 1.00 0.00 H new ATOM 0 H1' DA B 15 3.385 5.953 3.849 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.294 5.835 2.664 1.00 0.00 H new ATOM 0 H61 DA B 15 0.635 -0.327 2.815 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.562 0.932 2.492 1.00 0.00 H new ATOM 0 H2 DA B 15 4.367 1.613 4.054 1.00 0.00 H new ATOM 484 P DC B 16 4.832 9.459 2.332 1.00 0.00 P ATOM 485 OP1 DC B 16 5.957 10.277 2.832 1.00 0.00 O ATOM 486 OP2 DC B 16 3.888 10.016 1.341 1.00 0.00 O ATOM 487 O5' DC B 16 5.438 8.102 1.723 1.00 0.00 O ATOM 488 C5' DC B 16 6.515 7.441 2.360 1.00 0.00 C ATOM 489 C4' DC B 16 6.881 6.149 1.627 1.00 0.00 C ATOM 490 O4' DC B 16 5.953 5.123 1.917 1.00 0.00 O ATOM 491 C3' DC B 16 6.897 6.272 0.102 1.00 0.00 C ATOM 492 O3' DC B 16 8.119 6.794 -0.382 1.00 0.00 O ATOM 493 C2' DC B 16 6.709 4.820 -0.318 1.00 0.00 C ATOM 494 C1' DC B 16 6.009 4.162 0.879 1.00 0.00 C ATOM 495 N1 DC B 16 4.627 3.731 0.548 1.00 0.00 N ATOM 496 C2 DC B 16 4.344 2.364 0.475 1.00 0.00 C ATOM 497 O2 DC B 16 5.205 1.513 0.695 1.00 0.00 O ATOM 498 N3 DC B 16 3.101 1.947 0.137 1.00 0.00 N ATOM 499 C4 DC B 16 2.162 2.842 -0.113 1.00 0.00 C ATOM 500 N4 DC B 16 0.970 2.364 -0.364 1.00 0.00 N ATOM 501 C5 DC B 16 2.401 4.249 -0.076 1.00 0.00 C ATOM 502 C6 DC B 16 3.653 4.656 0.262 1.00 0.00 C ATOM 0 H5' DC B 16 6.247 7.214 3.392 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.382 8.101 2.394 1.00 0.00 H new ATOM 0 H4' DC B 16 7.887 5.923 1.982 1.00 0.00 H new ATOM 0 H3' DC B 16 6.144 6.957 -0.288 1.00 0.00 H new ATOM 0 H2' DC B 16 6.105 4.743 -1.222 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.665 4.341 -0.531 1.00 0.00 H new ATOM 0 HO3' DC B 16 8.085 6.853 -1.360 1.00 0.00 H new ATOM 0 H1' DC B 16 6.568 3.273 1.172 1.00 0.00 H new ATOM 0 H41 DC B 16 0.198 2.999 -0.565 1.00 0.00 H new ATOM 0 H42 DC B 16 0.813 1.356 -0.358 1.00 0.00 H new ATOM 0 H5 DC B 16 1.621 4.959 -0.307 1.00 0.00 H new ATOM 0 H6 DC B 16 3.883 5.710 0.306 1.00 0.00 H new TER 515 DC B 16