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 31:sc= 0.0789 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.872 (180deg=-2.2!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 31:sc= 0.0694 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.196 (180deg=-1.02) 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=-2.27!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.082 -8.436 -1.619 1.00 0.00 O ATOM 2 C5' DG A 1 2.419 -8.850 -1.830 1.00 0.00 C ATOM 3 C4' DG A 1 3.391 -7.911 -1.106 1.00 0.00 C ATOM 4 O4' DG A 1 3.072 -6.556 -1.427 1.00 0.00 O ATOM 5 C3' DG A 1 3.360 -8.060 0.421 1.00 0.00 C ATOM 6 O3' DG A 1 4.692 -8.202 0.886 1.00 0.00 O ATOM 7 C2' DG A 1 2.715 -6.763 0.852 1.00 0.00 C ATOM 8 C1' DG A 1 3.140 -5.791 -0.234 1.00 0.00 C ATOM 9 N9 DG A 1 2.231 -4.626 -0.279 1.00 0.00 N ATOM 10 C8 DG A 1 0.864 -4.617 -0.388 1.00 0.00 C ATOM 11 N7 DG A 1 0.333 -3.429 -0.437 1.00 0.00 N ATOM 12 C5 DG A 1 1.428 -2.573 -0.286 1.00 0.00 C ATOM 13 C6 DG A 1 1.516 -1.139 -0.236 1.00 0.00 C ATOM 14 O6 DG A 1 0.633 -0.292 -0.373 1.00 0.00 O ATOM 15 N1 DG A 1 2.802 -0.684 -0.015 1.00 0.00 N ATOM 16 C2 DG A 1 3.887 -1.494 0.130 1.00 0.00 C ATOM 17 N2 DG A 1 5.040 -0.918 0.369 1.00 0.00 N ATOM 18 N3 DG A 1 3.851 -2.825 0.062 1.00 0.00 N ATOM 19 C4 DG A 1 2.590 -3.305 -0.150 1.00 0.00 C ATOM 0 H5' DG A 1 2.639 -8.859 -2.897 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.552 -9.870 -1.469 1.00 0.00 H new ATOM 0 H4' DG A 1 4.390 -8.183 -1.446 1.00 0.00 H new ATOM 0 H3' DG A 1 2.821 -8.925 0.807 1.00 0.00 H new ATOM 0 H2' DG A 1 1.630 -6.852 0.911 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.063 -6.447 1.835 1.00 0.00 H new ATOM 0 HO5' DG A 1 1.054 -7.462 -1.516 1.00 0.00 H new ATOM 0 H1' DG A 1 4.135 -5.378 -0.069 1.00 0.00 H new ATOM 0 H8 DG A 1 0.276 -5.522 -0.430 1.00 0.00 H new ATOM 0 H1 DG A 1 2.948 0.324 0.043 1.00 0.00 H new ATOM 0 H21 DG A 1 5.879 -1.486 0.485 1.00 0.00 H new ATOM 0 H22 DG A 1 5.098 0.098 0.439 1.00 0.00 H new ATOM 32 P DT A 2 5.051 -8.466 2.438 1.00 0.00 P ATOM 33 OP1 DT A 2 6.088 -9.518 2.491 1.00 0.00 O ATOM 34 OP2 DT A 2 3.789 -8.620 3.193 1.00 0.00 O ATOM 35 O5' DT A 2 5.718 -7.061 2.854 1.00 0.00 O ATOM 36 C5' DT A 2 6.951 -6.652 2.282 1.00 0.00 C ATOM 37 C4' DT A 2 7.483 -5.344 2.883 1.00 0.00 C ATOM 38 O4' DT A 2 6.584 -4.281 2.598 1.00 0.00 O ATOM 39 C3' DT A 2 7.691 -5.407 4.400 1.00 0.00 C ATOM 40 O3' DT A 2 8.885 -4.711 4.725 1.00 0.00 O ATOM 41 C2' DT A 2 6.442 -4.720 4.922 1.00 0.00 C ATOM 42 C1' DT A 2 6.163 -3.694 3.819 1.00 0.00 C ATOM 43 N1 DT A 2 4.736 -3.286 3.698 1.00 0.00 N ATOM 44 C2 DT A 2 4.455 -1.919 3.590 1.00 0.00 C ATOM 45 O2 DT A 2 5.307 -1.038 3.649 1.00 0.00 O ATOM 46 N3 DT A 2 3.137 -1.573 3.387 1.00 0.00 N ATOM 47 C4 DT A 2 2.079 -2.451 3.280 1.00 0.00 C ATOM 48 O4 DT A 2 0.966 -1.999 3.035 1.00 0.00 O ATOM 49 C5 DT A 2 2.428 -3.858 3.454 1.00 0.00 C ATOM 50 C7 DT A 2 1.346 -4.929 3.413 1.00 0.00 C ATOM 51 C6 DT A 2 3.722 -4.225 3.642 1.00 0.00 C ATOM 0 H5' DT A 2 6.823 -6.526 1.207 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.691 -7.439 2.425 1.00 0.00 H new ATOM 0 H4' DT A 2 8.457 -5.176 2.424 1.00 0.00 H new ATOM 0 H3' DT A 2 7.810 -6.405 4.823 1.00 0.00 H new ATOM 0 H2' DT A 2 5.615 -5.418 5.050 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.610 -4.245 5.889 1.00 0.00 H new ATOM 0 H1' DT A 2 6.704 -2.781 4.069 1.00 0.00 H new ATOM 0 H3 DT A 2 2.925 -0.578 3.309 1.00 0.00 H new ATOM 0 H71 DT A 2 0.406 -4.511 3.774 1.00 0.00 H new ATOM 0 H72 DT A 2 1.218 -5.278 2.388 1.00 0.00 H new ATOM 0 H73 DT A 2 1.638 -5.766 4.048 1.00 0.00 H new ATOM 0 H6 DT A 2 3.964 -5.272 3.750 1.00 0.00 H new ATOM 64 P DA A 3 9.496 -4.704 6.220 1.00 0.00 P ATOM 65 OP1 DA A 3 10.958 -4.511 6.111 1.00 0.00 O ATOM 66 OP2 DA A 3 8.955 -5.870 6.950 1.00 0.00 O ATOM 67 O5' DA A 3 8.849 -3.365 6.841 1.00 0.00 O ATOM 68 C5' DA A 3 9.299 -2.089 6.418 1.00 0.00 C ATOM 69 C4' DA A 3 8.597 -0.932 7.137 1.00 0.00 C ATOM 70 O4' DA A 3 7.270 -0.790 6.648 1.00 0.00 O ATOM 71 C3' DA A 3 8.533 -1.080 8.664 1.00 0.00 C ATOM 72 O3' DA A 3 9.024 0.129 9.220 1.00 0.00 O ATOM 73 C2' DA A 3 7.038 -1.289 8.905 1.00 0.00 C ATOM 74 C1' DA A 3 6.415 -0.520 7.741 1.00 0.00 C ATOM 75 N9 DA A 3 5.041 -0.954 7.392 1.00 0.00 N ATOM 76 C8 DA A 3 4.541 -2.229 7.277 1.00 0.00 C ATOM 77 N7 DA A 3 3.303 -2.292 6.867 1.00 0.00 N ATOM 78 C5 DA A 3 2.944 -0.944 6.741 1.00 0.00 C ATOM 79 C6 DA A 3 1.762 -0.265 6.363 1.00 0.00 C ATOM 80 N6 DA A 3 0.654 -0.874 5.979 1.00 0.00 N ATOM 81 N1 DA A 3 1.707 1.073 6.378 1.00 0.00 N ATOM 82 C2 DA A 3 2.805 1.734 6.736 1.00 0.00 C ATOM 83 N3 DA A 3 3.989 1.235 7.076 1.00 0.00 N ATOM 84 C4 DA A 3 3.993 -0.126 7.065 1.00 0.00 C ATOM 0 H5' DA A 3 9.138 -1.992 5.344 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.373 -2.015 6.588 1.00 0.00 H new ATOM 0 H4' DA A 3 9.203 -0.051 6.925 1.00 0.00 H new ATOM 0 H3' DA A 3 9.119 -1.886 9.106 1.00 0.00 H new ATOM 0 H2' DA A 3 6.766 -2.344 8.888 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.722 -0.894 9.870 1.00 0.00 H new ATOM 0 H1' DA A 3 6.323 0.534 8.004 1.00 0.00 H new ATOM 0 H8 DA A 3 5.125 -3.108 7.507 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.166 -0.325 5.719 1.00 0.00 H new ATOM 0 H62 DA A 3 0.618 -1.893 5.943 1.00 0.00 H new ATOM 0 H2 DA A 3 2.724 2.811 6.752 1.00 0.00 H new ATOM 96 P DC A 4 9.161 0.394 10.809 1.00 0.00 P ATOM 97 OP1 DC A 4 10.468 1.038 11.059 1.00 0.00 O ATOM 98 OP2 DC A 4 8.777 -0.833 11.542 1.00 0.00 O ATOM 99 O5' DC A 4 8.005 1.492 11.000 1.00 0.00 O ATOM 100 C5' DC A 4 8.092 2.740 10.328 1.00 0.00 C ATOM 101 C4' DC A 4 6.764 3.501 10.348 1.00 0.00 C ATOM 102 O4' DC A 4 5.743 2.654 9.841 1.00 0.00 O ATOM 103 C3' DC A 4 6.344 3.984 11.741 1.00 0.00 C ATOM 104 O3' DC A 4 5.838 5.307 11.617 1.00 0.00 O ATOM 105 C2' DC A 4 5.246 2.997 12.114 1.00 0.00 C ATOM 106 C1' DC A 4 4.654 2.714 10.734 1.00 0.00 C ATOM 107 N1 DC A 4 3.839 1.472 10.621 1.00 0.00 N ATOM 108 C2 DC A 4 2.603 1.567 9.980 1.00 0.00 C ATOM 109 O2 DC A 4 2.153 2.647 9.605 1.00 0.00 O ATOM 110 N3 DC A 4 1.849 0.460 9.774 1.00 0.00 N ATOM 111 C4 DC A 4 2.255 -0.696 10.253 1.00 0.00 C ATOM 112 N4 DC A 4 1.502 -1.727 9.963 1.00 0.00 N ATOM 113 C5 DC A 4 3.446 -0.835 11.023 1.00 0.00 C ATOM 114 C6 DC A 4 4.243 0.261 11.137 1.00 0.00 C ATOM 0 H5' DC A 4 8.398 2.574 9.295 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.865 3.350 10.796 1.00 0.00 H new ATOM 0 H4' DC A 4 6.907 4.390 9.733 1.00 0.00 H new ATOM 0 H3' DC A 4 7.140 4.016 12.485 1.00 0.00 H new ATOM 0 H2' DC A 4 5.639 2.099 12.590 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.516 3.427 12.799 1.00 0.00 H new ATOM 0 H1' DC A 4 3.946 3.512 10.510 1.00 0.00 H new ATOM 0 H41 DC A 4 1.756 -2.655 10.301 1.00 0.00 H new ATOM 0 H42 DC A 4 0.661 -1.602 9.399 1.00 0.00 H new ATOM 0 H5 DC A 4 3.705 -1.771 11.496 1.00 0.00 H new ATOM 0 H6 DC A 4 5.198 0.181 11.635 1.00 0.00 H new HETATM 126 P NCX A 5 5.767 6.321 12.871 1.00 0.00 P HETATM 127 OP1 NCX A 5 5.659 7.696 12.335 1.00 0.00 O HETATM 128 OP2 NCX A 5 6.870 5.982 13.796 1.00 0.00 O HETATM 129 O5' NCX A 5 4.376 5.949 13.597 1.00 0.00 O HETATM 130 C5' NCX A 5 3.144 6.562 13.236 1.00 0.00 C HETATM 131 C4' NCX A 5 2.002 6.203 14.207 1.00 0.00 C HETATM 132 O4' NCX A 5 1.466 4.940 13.869 1.00 0.00 O HETATM 133 C1' NCX A 5 1.447 4.177 15.050 1.00 0.00 C HETATM 134 N9 NCX A 5 1.433 2.748 14.691 1.00 0.00 N HETATM 135 C8 NCX A 5 2.431 1.802 14.908 1.00 0.00 C HETATM 136 C7 NCX A 5 1.916 0.533 14.670 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.720 -0.703 14.714 1.00 0.00 C HETATM 138 O7 NCX A 5 3.853 -0.802 15.121 1.00 0.00 O HETATM 139 NH7 NCX A 5 2.162 -1.800 14.206 1.00 0.00 N HETATM 140 C5 NCX A 5 0.523 0.734 14.444 1.00 0.00 C HETATM 141 C4 NCX A 5 0.304 2.075 14.387 1.00 0.00 C HETATM 142 C3 NCX A 5 -0.960 2.599 14.122 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.041 1.717 14.118 1.00 0.00 C HETATM 144 C1 NCX A 5 -1.847 0.339 14.325 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.013 -0.581 14.480 1.00 0.00 N HETATM 146 O11 NCX A 5 -2.777 -1.778 14.496 1.00 0.00 O HETATM 147 O12 NCX A 5 -4.126 -0.087 14.534 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.537 -0.162 14.412 1.00 0.00 C HETATM 149 C3' NCX A 5 2.479 6.194 15.673 1.00 0.00 C HETATM 150 C2' NCX A 5 2.644 4.685 15.863 1.00 0.00 C HETATM 151 O3' NCX A 5 1.468 6.434 16.630 1.00 0.00 O HETATM 0 HH72 NCX A 5 2.674 -2.682 14.211 1.00 0.00 H new HETATM 0 HH71 NCX A 5 1.222 -1.758 13.812 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.272 7.644 13.215 1.00 0.00 H new HETATM 0 H2'' NCX A 5 2.591 4.389 16.911 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.453 2.021 15.216 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.356 -1.236 14.454 1.00 0.00 H new HETATM 0 H5' NCX A 5 2.870 6.254 12.227 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.232 6.968 14.113 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.290 6.911 15.805 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.099 3.662 13.925 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.595 4.319 15.476 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.048 2.100 13.953 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.561 4.285 15.675 1.00 0.00 H new ATOM 165 P DA A 6 1.712 7.295 17.965 1.00 0.00 P ATOM 166 OP1 DA A 6 2.424 8.539 17.609 1.00 0.00 O ATOM 167 OP2 DA A 6 2.203 6.412 19.042 1.00 0.00 O ATOM 168 O5' DA A 6 0.160 7.636 18.209 1.00 0.00 O ATOM 169 C5' DA A 6 -0.705 8.159 17.214 1.00 0.00 C ATOM 170 C4' DA A 6 -2.129 7.617 17.443 1.00 0.00 C ATOM 171 O4' DA A 6 -2.185 6.249 17.025 1.00 0.00 O ATOM 172 C3' DA A 6 -2.616 7.682 18.890 1.00 0.00 C ATOM 173 O3' DA A 6 -3.997 8.020 18.873 1.00 0.00 O ATOM 174 C2' DA A 6 -2.331 6.265 19.383 1.00 0.00 C ATOM 175 C1' DA A 6 -2.458 5.394 18.129 1.00 0.00 C ATOM 176 N9 DA A 6 -1.531 4.223 18.120 1.00 0.00 N ATOM 177 C8 DA A 6 -0.185 4.188 18.409 1.00 0.00 C ATOM 178 N7 DA A 6 0.358 3.005 18.381 1.00 0.00 N ATOM 179 C5 DA A 6 -0.710 2.180 18.039 1.00 0.00 C ATOM 180 C6 DA A 6 -0.833 0.788 17.851 1.00 0.00 C ATOM 181 N6 DA A 6 0.184 -0.049 17.997 1.00 0.00 N ATOM 182 N1 DA A 6 -2.007 0.251 17.500 1.00 0.00 N ATOM 183 C2 DA A 6 -3.043 1.078 17.343 1.00 0.00 C ATOM 184 N3 DA A 6 -3.073 2.400 17.499 1.00 0.00 N ATOM 185 C4 DA A 6 -1.860 2.905 17.857 1.00 0.00 C ATOM 0 H5' DA A 6 -0.351 7.877 16.223 1.00 0.00 H new ATOM 0 H5'' DA A 6 -0.707 9.248 17.253 1.00 0.00 H new ATOM 0 H4' DA A 6 -2.783 8.265 16.859 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.144 8.424 19.534 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.336 6.189 19.821 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.041 5.961 20.152 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.459 4.963 18.088 1.00 0.00 H new ATOM 0 H8 DA A 6 0.380 5.078 18.642 1.00 0.00 H new ATOM 0 H61 DA A 6 0.047 -1.049 17.850 1.00 0.00 H new ATOM 0 H62 DA A 6 1.104 0.307 18.256 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.975 0.616 17.053 1.00 0.00 H new ATOM 197 P DC A 7 -4.868 8.222 20.218 1.00 0.00 P ATOM 198 OP1 DC A 7 -5.994 9.130 19.912 1.00 0.00 O ATOM 199 OP2 DC A 7 -3.947 8.526 21.335 1.00 0.00 O ATOM 200 O5' DC A 7 -5.457 6.741 20.432 1.00 0.00 O ATOM 201 C5' DC A 7 -6.367 6.181 19.500 1.00 0.00 C ATOM 202 C4' DC A 7 -6.627 4.695 19.771 1.00 0.00 C ATOM 203 O4' DC A 7 -5.425 3.945 19.584 1.00 0.00 O ATOM 204 C3' DC A 7 -7.138 4.399 21.192 1.00 0.00 C ATOM 205 O3' DC A 7 -8.161 3.421 21.095 1.00 0.00 O ATOM 206 C2' DC A 7 -5.866 3.887 21.839 1.00 0.00 C ATOM 207 C1' DC A 7 -5.311 3.058 20.680 1.00 0.00 C ATOM 208 N1 DC A 7 -3.914 2.585 20.887 1.00 0.00 N ATOM 209 C2 DC A 7 -3.610 1.237 20.656 1.00 0.00 C ATOM 210 O2 DC A 7 -4.448 0.442 20.235 1.00 0.00 O ATOM 211 N3 DC A 7 -2.360 0.764 20.909 1.00 0.00 N ATOM 212 C4 DC A 7 -1.449 1.583 21.405 1.00 0.00 C ATOM 213 N4 DC A 7 -0.255 1.086 21.609 1.00 0.00 N ATOM 214 C5 DC A 7 -1.716 2.955 21.681 1.00 0.00 C ATOM 215 C6 DC A 7 -2.954 3.421 21.397 1.00 0.00 C ATOM 0 H5' DC A 7 -5.972 6.302 18.491 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.309 6.727 19.541 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.405 4.406 19.065 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.582 5.223 21.750 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.194 4.692 22.138 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.060 3.287 22.728 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.854 2.123 20.546 1.00 0.00 H new ATOM 0 H41 DC A 7 0.485 1.676 21.990 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.065 0.109 21.387 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.958 3.599 22.101 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.188 4.460 21.573 1.00 0.00 H new ATOM 227 P DG A 8 -9.035 2.925 22.356 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.465 3.162 22.064 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.435 3.428 23.610 1.00 0.00 O ATOM 230 O5' DG A 8 -8.757 1.347 22.278 1.00 0.00 O ATOM 231 C5' DG A 8 -9.177 0.596 21.150 1.00 0.00 C ATOM 232 C4' DG A 8 -9.009 -0.915 21.352 1.00 0.00 C ATOM 233 O4' DG A 8 -7.632 -1.259 21.361 1.00 0.00 O ATOM 234 C3' DG A 8 -9.613 -1.421 22.668 1.00 0.00 C ATOM 235 O3' DG A 8 -10.111 -2.741 22.529 1.00 0.00 O ATOM 236 C2' DG A 8 -8.418 -1.404 23.611 1.00 0.00 C ATOM 237 C1' DG A 8 -7.258 -1.694 22.657 1.00 0.00 C ATOM 238 N9 DG A 8 -5.988 -1.075 23.092 1.00 0.00 N ATOM 239 C8 DG A 8 -5.680 0.243 23.318 1.00 0.00 C ATOM 240 N7 DG A 8 -4.446 0.444 23.700 1.00 0.00 N ATOM 241 C5 DG A 8 -3.898 -0.844 23.749 1.00 0.00 C ATOM 242 C6 DG A 8 -2.586 -1.321 24.100 1.00 0.00 C ATOM 243 O6 DG A 8 -1.574 -0.699 24.416 1.00 0.00 O ATOM 244 N1 DG A 8 -2.487 -2.702 24.076 1.00 0.00 N ATOM 245 C2 DG A 8 -3.504 -3.541 23.739 1.00 0.00 C ATOM 246 N2 DG A 8 -3.256 -4.828 23.746 1.00 0.00 N ATOM 247 N3 DG A 8 -4.726 -3.138 23.398 1.00 0.00 N ATOM 248 C4 DG A 8 -4.855 -1.777 23.415 1.00 0.00 C ATOM 0 H5' DG A 8 -8.604 0.908 20.277 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.224 0.817 20.940 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.538 -1.383 20.522 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.455 -0.820 23.011 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.305 -0.441 24.110 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.503 -2.160 24.392 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.489 -3.040 23.383 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.067 -2.767 22.653 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.394 1.043 23.191 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.591 -3.119 24.328 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.991 -5.490 23.500 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.328 -5.167 23.998 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.466 -8.047 26.288 1.00 0.00 O ATOM 263 C5' DC B 9 3.484 -9.022 26.585 1.00 0.00 C ATOM 264 C4' DC B 9 2.260 -8.842 25.678 1.00 0.00 C ATOM 265 O4' DC B 9 1.839 -7.481 25.718 1.00 0.00 O ATOM 266 C3' DC B 9 2.511 -9.190 24.204 1.00 0.00 C ATOM 267 O3' DC B 9 1.387 -9.938 23.769 1.00 0.00 O ATOM 268 C2' DC B 9 2.594 -7.811 23.557 1.00 0.00 C ATOM 269 C1' DC B 9 1.541 -7.084 24.391 1.00 0.00 C ATOM 270 N1 DC B 9 1.503 -5.595 24.298 1.00 0.00 N ATOM 271 C2 DC B 9 0.255 -4.974 24.434 1.00 0.00 C ATOM 272 O2 DC B 9 -0.781 -5.625 24.552 1.00 0.00 O ATOM 273 N3 DC B 9 0.153 -3.622 24.435 1.00 0.00 N ATOM 274 C4 DC B 9 1.238 -2.892 24.250 1.00 0.00 C ATOM 275 N4 DC B 9 1.066 -1.593 24.253 1.00 0.00 N ATOM 276 C5 DC B 9 2.536 -3.464 24.091 1.00 0.00 C ATOM 277 C6 DC B 9 2.630 -4.819 24.122 1.00 0.00 C ATOM 0 H5' DC B 9 3.185 -8.940 27.630 1.00 0.00 H new ATOM 0 H5'' DC B 9 3.901 -10.020 26.450 1.00 0.00 H new ATOM 0 H4' DC B 9 1.508 -9.531 26.063 1.00 0.00 H new ATOM 0 H3' DC B 9 3.397 -9.783 23.979 1.00 0.00 H new ATOM 0 H2' DC B 9 3.584 -7.364 23.648 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.349 -7.830 22.495 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.029 -7.224 25.984 1.00 0.00 H new ATOM 0 H1' DC B 9 0.553 -7.357 24.020 1.00 0.00 H new ATOM 0 H41 DC B 9 1.864 -0.973 24.115 1.00 0.00 H new ATOM 0 H42 DC B 9 0.134 -1.202 24.393 1.00 0.00 H new ATOM 0 H5 DC B 9 3.409 -2.844 23.952 1.00 0.00 H new ATOM 0 H6 DC B 9 3.594 -5.292 24.008 1.00 0.00 H new ATOM 290 P DG B 10 1.271 -10.574 22.293 1.00 0.00 P ATOM 291 OP1 DG B 10 0.867 -11.988 22.442 1.00 0.00 O ATOM 292 OP2 DG B 10 2.489 -10.223 21.531 1.00 0.00 O ATOM 293 O5' DG B 10 0.028 -9.736 21.698 1.00 0.00 O ATOM 294 C5' DG B 10 -1.293 -9.969 22.170 1.00 0.00 C ATOM 295 C4' DG B 10 -2.372 -9.262 21.334 1.00 0.00 C ATOM 296 O4' DG B 10 -2.369 -7.877 21.648 1.00 0.00 O ATOM 297 C3' DG B 10 -2.188 -9.427 19.820 1.00 0.00 C ATOM 298 O3' DG B 10 -3.450 -9.604 19.191 1.00 0.00 O ATOM 299 C2' DG B 10 -1.552 -8.100 19.451 1.00 0.00 C ATOM 300 C1' DG B 10 -2.199 -7.143 20.452 1.00 0.00 C ATOM 301 N9 DG B 10 -1.348 -5.966 20.720 1.00 0.00 N ATOM 302 C8 DG B 10 -0.016 -5.945 21.037 1.00 0.00 C ATOM 303 N7 DG B 10 0.478 -4.748 21.198 1.00 0.00 N ATOM 304 C5 DG B 10 -0.616 -3.906 20.966 1.00 0.00 C ATOM 305 C6 DG B 10 -0.738 -2.474 20.983 1.00 0.00 C ATOM 306 O6 DG B 10 0.112 -1.615 21.209 1.00 0.00 O ATOM 307 N1 DG B 10 -2.020 -2.034 20.710 1.00 0.00 N ATOM 308 C2 DG B 10 -3.069 -2.854 20.428 1.00 0.00 C ATOM 309 N2 DG B 10 -4.217 -2.282 20.157 1.00 0.00 N ATOM 310 N3 DG B 10 -2.988 -4.184 20.375 1.00 0.00 N ATOM 311 C4 DG B 10 -1.738 -4.651 20.668 1.00 0.00 C ATOM 0 H5' DG B 10 -1.366 -9.633 23.204 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.488 -11.041 22.169 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.322 -9.732 21.590 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.595 -10.290 19.517 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.467 -8.126 19.555 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.767 -7.818 18.420 1.00 0.00 H new ATOM 0 H1' DG B 10 -3.142 -6.769 20.052 1.00 0.00 H new ATOM 0 H8 DG B 10 0.575 -6.842 21.145 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.191 -1.028 20.721 1.00 0.00 H new ATOM 0 H21 DG B 10 -5.033 -2.854 19.939 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.294 -1.265 20.164 1.00 0.00 H new ATOM 323 P DT B 11 -3.583 -9.941 17.612 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.598 -11.006 17.461 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.227 -10.127 17.055 1.00 0.00 O ATOM 326 O5' DT B 11 -4.185 -8.572 17.002 1.00 0.00 O ATOM 327 C5' DT B 11 -5.558 -8.255 17.168 1.00 0.00 C ATOM 328 C4' DT B 11 -5.960 -6.942 16.483 1.00 0.00 C ATOM 329 O4' DT B 11 -5.319 -5.888 17.184 1.00 0.00 O ATOM 330 C3' DT B 11 -5.643 -6.879 14.992 1.00 0.00 C ATOM 331 O3' DT B 11 -6.838 -6.526 14.311 1.00 0.00 O ATOM 332 C2' DT B 11 -4.655 -5.734 14.931 1.00 0.00 C ATOM 333 C1' DT B 11 -4.760 -4.991 16.256 1.00 0.00 C ATOM 334 N1 DT B 11 -3.455 -4.482 16.746 1.00 0.00 N ATOM 335 C2 DT B 11 -3.374 -3.126 17.070 1.00 0.00 C ATOM 336 O2 DT B 11 -4.344 -2.373 17.093 1.00 0.00 O ATOM 337 N3 DT B 11 -2.123 -2.639 17.369 1.00 0.00 N ATOM 338 C4 DT B 11 -0.963 -3.385 17.434 1.00 0.00 C ATOM 339 O4 DT B 11 0.081 -2.805 17.714 1.00 0.00 O ATOM 340 C5 DT B 11 -1.127 -4.815 17.161 1.00 0.00 C ATOM 341 C7 DT B 11 0.062 -5.766 17.248 1.00 0.00 C ATOM 342 C6 DT B 11 -2.351 -5.306 16.824 1.00 0.00 C ATOM 0 H5' DT B 11 -5.783 -8.186 18.232 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.163 -9.068 16.766 1.00 0.00 H new ATOM 0 H4' DT B 11 -7.046 -6.858 16.526 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.263 -7.802 14.554 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.642 -6.105 14.775 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.883 -5.071 14.097 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.383 -4.107 16.121 1.00 0.00 H new ATOM 0 H3 DT B 11 -2.045 -1.640 17.559 1.00 0.00 H new ATOM 0 H71 DT B 11 0.976 -5.229 16.995 1.00 0.00 H new ATOM 0 H72 DT B 11 0.140 -6.159 18.262 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.080 -6.590 16.549 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.460 -6.360 16.614 1.00 0.00 H new ATOM 355 P DT B 12 -6.980 -6.578 12.702 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.364 -6.983 12.377 1.00 0.00 O ATOM 357 OP2 DT B 12 -5.831 -7.326 12.149 1.00 0.00 O ATOM 358 O5' DT B 12 -6.803 -5.030 12.310 1.00 0.00 O ATOM 359 C5' DT B 12 -7.689 -4.042 12.815 1.00 0.00 C ATOM 360 C4' DT B 12 -7.356 -2.652 12.261 1.00 0.00 C ATOM 361 O4' DT B 12 -6.015 -2.324 12.611 1.00 0.00 O ATOM 362 C3' DT B 12 -7.493 -2.570 10.732 1.00 0.00 C ATOM 363 O3' DT B 12 -8.066 -1.320 10.368 1.00 0.00 O ATOM 364 C2' DT B 12 -6.035 -2.665 10.307 1.00 0.00 C ATOM 365 C1' DT B 12 -5.359 -1.888 11.438 1.00 0.00 C ATOM 366 N1 DT B 12 -3.890 -2.109 11.515 1.00 0.00 N ATOM 367 C2 DT B 12 -3.065 -0.978 11.462 1.00 0.00 C ATOM 368 O2 DT B 12 -3.475 0.169 11.341 1.00 0.00 O ATOM 369 N3 DT B 12 -1.713 -1.176 11.630 1.00 0.00 N ATOM 370 C4 DT B 12 -1.121 -2.371 11.967 1.00 0.00 C ATOM 371 O4 DT B 12 0.057 -2.373 12.327 1.00 0.00 O ATOM 372 C5 DT B 12 -2.014 -3.523 11.905 1.00 0.00 C ATOM 373 C7 DT B 12 -1.420 -4.896 12.105 1.00 0.00 C ATOM 374 C6 DT B 12 -3.351 -3.371 11.693 1.00 0.00 C ATOM 0 H5' DT B 12 -7.633 -4.024 13.903 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.714 -4.303 12.553 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.069 -1.952 12.696 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.132 -3.327 10.277 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.687 -3.696 10.248 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.858 -2.213 9.331 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.450 -0.813 11.279 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.101 -0.372 11.494 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.165 -5.553 12.553 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.110 -5.302 11.142 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.555 -4.826 12.765 1.00 0.00 H new ATOM 0 H6 DT B 12 -3.993 -4.239 11.664 1.00 0.00 H new ATOM 387 P DG B 13 -8.732 -1.061 8.915 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.201 -1.007 9.081 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.130 -2.000 7.945 1.00 0.00 O ATOM 390 O5' DG B 13 -8.206 0.414 8.533 1.00 0.00 O ATOM 391 C5' DG B 13 -8.689 1.569 9.201 1.00 0.00 C ATOM 392 C4' DG B 13 -7.758 2.779 9.017 1.00 0.00 C ATOM 393 O4' DG B 13 -6.469 2.412 9.497 1.00 0.00 O ATOM 394 C3' DG B 13 -7.604 3.302 7.579 1.00 0.00 C ATOM 395 O3' DG B 13 -7.449 4.717 7.596 1.00 0.00 O ATOM 396 C2' DG B 13 -6.358 2.578 7.144 1.00 0.00 C ATOM 397 C1' DG B 13 -5.547 2.450 8.423 1.00 0.00 C ATOM 398 N9 DG B 13 -4.694 1.245 8.348 1.00 0.00 N ATOM 399 C8 DG B 13 -5.006 -0.045 7.991 1.00 0.00 C ATOM 400 N7 DG B 13 -3.984 -0.860 7.984 1.00 0.00 N ATOM 401 C5 DG B 13 -2.910 -0.043 8.347 1.00 0.00 C ATOM 402 C6 DG B 13 -1.524 -0.334 8.593 1.00 0.00 C ATOM 403 O6 DG B 13 -0.917 -1.404 8.586 1.00 0.00 O ATOM 404 N1 DG B 13 -0.800 0.782 8.959 1.00 0.00 N ATOM 405 C2 DG B 13 -1.318 2.039 9.061 1.00 0.00 C ATOM 406 N2 DG B 13 -0.515 3.032 9.346 1.00 0.00 N ATOM 407 N3 DG B 13 -2.588 2.345 8.844 1.00 0.00 N ATOM 408 C4 DG B 13 -3.338 1.254 8.519 1.00 0.00 C ATOM 0 H5' DG B 13 -8.796 1.354 10.264 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.682 1.816 8.824 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.222 3.595 9.571 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.450 3.127 6.914 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.591 1.602 6.719 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.816 3.137 6.381 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.871 3.292 8.572 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.008 -0.358 7.738 1.00 0.00 H new ATOM 0 H1 DG B 13 0.191 0.658 9.168 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.884 3.979 9.426 1.00 0.00 H new ATOM 0 H22 DG B 13 0.480 2.859 9.488 1.00 0.00 H new ATOM 420 P DT B 14 -7.239 5.605 6.255 1.00 0.00 P ATOM 421 OP1 DT B 14 -8.042 6.837 6.392 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.419 4.732 5.074 1.00 0.00 O ATOM 423 O5' DT B 14 -5.676 6.009 6.337 1.00 0.00 O ATOM 424 C5' DT B 14 -5.212 6.888 7.352 1.00 0.00 C ATOM 425 C4' DT B 14 -3.715 7.222 7.248 1.00 0.00 C ATOM 426 O4' DT B 14 -2.950 6.032 7.387 1.00 0.00 O ATOM 427 C3' DT B 14 -3.298 7.907 5.940 1.00 0.00 C ATOM 428 O3' DT B 14 -2.327 8.904 6.228 1.00 0.00 O ATOM 429 C2' DT B 14 -2.726 6.748 5.144 1.00 0.00 C ATOM 430 C1' DT B 14 -2.118 5.883 6.249 1.00 0.00 C ATOM 431 N1 DT B 14 -2.021 4.441 5.899 1.00 0.00 N ATOM 432 C2 DT B 14 -0.799 3.794 6.111 1.00 0.00 C ATOM 433 O2 DT B 14 0.213 4.362 6.509 1.00 0.00 O ATOM 434 N3 DT B 14 -0.759 2.446 5.839 1.00 0.00 N ATOM 435 C4 DT B 14 -1.802 1.693 5.344 1.00 0.00 C ATOM 436 O4 DT B 14 -1.615 0.497 5.142 1.00 0.00 O ATOM 437 C5 DT B 14 -3.043 2.430 5.115 1.00 0.00 C ATOM 438 C7 DT B 14 -4.266 1.718 4.558 1.00 0.00 C ATOM 439 C6 DT B 14 -3.113 3.757 5.403 1.00 0.00 C ATOM 0 H5' DT B 14 -5.408 6.439 8.326 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.785 7.814 7.307 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.523 7.933 8.052 1.00 0.00 H new ATOM 0 H3' DT B 14 -4.095 8.421 5.403 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.496 6.216 4.585 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.978 7.077 4.423 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.095 6.216 6.422 1.00 0.00 H new ATOM 0 H3 DT B 14 0.120 1.961 6.020 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.948 0.895 3.918 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.866 1.328 5.380 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.862 2.421 3.976 1.00 0.00 H new ATOM 0 H6 DT B 14 -4.040 4.286 5.241 1.00 0.00 H new ATOM 452 P DA B 15 -1.691 9.853 5.083 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.306 11.136 5.709 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.596 9.842 3.913 1.00 0.00 O ATOM 455 O5' DA B 15 -0.345 9.055 4.686 1.00 0.00 O ATOM 456 C5' DA B 15 0.770 9.027 5.565 1.00 0.00 C ATOM 457 C4' DA B 15 1.971 8.275 4.975 1.00 0.00 C ATOM 458 O4' DA B 15 1.702 6.878 4.932 1.00 0.00 O ATOM 459 C3' DA B 15 2.339 8.732 3.557 1.00 0.00 C ATOM 460 O3' DA B 15 3.727 9.028 3.504 1.00 0.00 O ATOM 461 C2' DA B 15 1.975 7.510 2.729 1.00 0.00 C ATOM 462 C1' DA B 15 2.196 6.361 3.713 1.00 0.00 C ATOM 463 N9 DA B 15 1.461 5.123 3.358 1.00 0.00 N ATOM 464 C8 DA B 15 0.139 4.991 3.001 1.00 0.00 C ATOM 465 N7 DA B 15 -0.246 3.762 2.785 1.00 0.00 N ATOM 466 C5 DA B 15 0.921 3.022 3.015 1.00 0.00 C ATOM 467 C6 DA B 15 1.237 1.643 2.978 1.00 0.00 C ATOM 468 N6 DA B 15 0.352 0.689 2.742 1.00 0.00 N ATOM 469 N1 DA B 15 2.487 1.222 3.206 1.00 0.00 N ATOM 470 C2 DA B 15 3.408 2.136 3.495 1.00 0.00 C ATOM 471 N3 DA B 15 3.254 3.456 3.583 1.00 0.00 N ATOM 472 C4 DA B 15 1.970 3.842 3.339 1.00 0.00 C ATOM 0 H5' DA B 15 0.476 8.555 6.503 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.067 10.049 5.801 1.00 0.00 H new ATOM 0 H4' DA B 15 2.813 8.498 5.631 1.00 0.00 H new ATOM 0 H3' DA B 15 1.836 9.635 3.211 1.00 0.00 H new ATOM 0 H2' DA B 15 0.944 7.551 2.379 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.608 7.415 1.847 1.00 0.00 H new ATOM 0 H1' DA B 15 3.244 6.062 3.735 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.527 5.836 2.907 1.00 0.00 H new ATOM 0 H61 DA B 15 0.646 -0.288 2.729 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.625 0.930 2.573 1.00 0.00 H new ATOM 0 H2 DA B 15 4.404 1.762 3.681 1.00 0.00 H new ATOM 484 P DC B 16 4.420 9.681 2.199 1.00 0.00 P ATOM 485 OP1 DC B 16 5.545 10.539 2.628 1.00 0.00 O ATOM 486 OP2 DC B 16 3.370 10.217 1.308 1.00 0.00 O ATOM 487 O5' DC B 16 5.036 8.374 1.497 1.00 0.00 O ATOM 488 C5' DC B 16 6.196 7.752 2.020 1.00 0.00 C ATOM 489 C4' DC B 16 6.551 6.494 1.225 1.00 0.00 C ATOM 490 O4' DC B 16 5.696 5.423 1.565 1.00 0.00 O ATOM 491 C3' DC B 16 6.427 6.654 -0.293 1.00 0.00 C ATOM 492 O3' DC B 16 7.579 7.242 -0.867 1.00 0.00 O ATOM 493 C2' DC B 16 6.266 5.205 -0.734 1.00 0.00 C ATOM 494 C1' DC B 16 5.704 4.490 0.502 1.00 0.00 C ATOM 495 N1 DC B 16 4.319 4.001 0.279 1.00 0.00 N ATOM 496 C2 DC B 16 4.094 2.625 0.194 1.00 0.00 C ATOM 497 O2 DC B 16 5.008 1.812 0.326 1.00 0.00 O ATOM 498 N3 DC B 16 2.849 2.156 -0.055 1.00 0.00 N ATOM 499 C4 DC B 16 1.852 3.010 -0.204 1.00 0.00 C ATOM 500 N4 DC B 16 0.667 2.479 -0.373 1.00 0.00 N ATOM 501 C5 DC B 16 2.028 4.426 -0.148 1.00 0.00 C ATOM 502 C6 DC B 16 3.284 4.885 0.098 1.00 0.00 C ATOM 0 H5' DC B 16 6.033 7.491 3.066 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.032 8.451 1.992 1.00 0.00 H new ATOM 0 H4' DC B 16 7.592 6.303 1.487 1.00 0.00 H new ATOM 0 H3' DC B 16 5.614 7.313 -0.598 1.00 0.00 H new ATOM 0 H2' DC B 16 5.589 5.121 -1.584 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.219 4.775 -1.043 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.457 7.323 -1.836 1.00 0.00 H new ATOM 0 H1' DC B 16 6.326 3.623 0.724 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.148 3.080 -0.494 1.00 0.00 H new ATOM 0 H42 DC B 16 0.559 1.465 -0.383 1.00 0.00 H new ATOM 0 H5 DC B 16 1.199 5.103 -0.295 1.00 0.00 H new ATOM 0 H6 DC B 16 3.468 5.948 0.151 1.00 0.00 H new TER 515 DC B 16