USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 127 hydrogens (12 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 -25:sc= 0.00956 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.706 (180deg=-0.706) USER MOD Single : A 10 DT C7 :methyl 150:sc= -1.94 (180deg=-1.94) USER MOD Single : A 11 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -6.758 13.132 -3.905 1.00 0.00 O ATOM 2 C5' DT A 1 -7.404 11.862 -4.016 1.00 0.00 C ATOM 3 C4' DT A 1 -6.513 10.869 -4.725 1.00 0.00 C ATOM 4 O4' DT A 1 -5.286 10.731 -3.972 1.00 0.00 O ATOM 5 C3' DT A 1 -7.097 9.457 -4.860 1.00 0.00 C ATOM 6 O3' DT A 1 -7.022 9.024 -6.223 1.00 0.00 O ATOM 7 C2' DT A 1 -6.205 8.598 -3.977 1.00 0.00 C ATOM 8 C1' DT A 1 -4.907 9.373 -3.959 1.00 0.00 C ATOM 9 N1 DT A 1 -4.059 9.146 -2.773 1.00 0.00 N ATOM 10 C2 DT A 1 -2.753 8.765 -2.976 1.00 0.00 C ATOM 11 O2 DT A 1 -2.268 8.611 -4.084 1.00 0.00 O ATOM 12 N3 DT A 1 -2.030 8.570 -1.831 1.00 0.00 N ATOM 13 C4 DT A 1 -2.467 8.712 -0.534 1.00 0.00 C ATOM 14 O4 DT A 1 -1.697 8.494 0.397 1.00 0.00 O ATOM 15 C5 DT A 1 -3.849 9.114 -0.390 1.00 0.00 C ATOM 16 C7 DT A 1 -4.411 9.292 0.986 1.00 0.00 C ATOM 17 C6 DT A 1 -4.572 9.310 -1.502 1.00 0.00 C ATOM 0 H5' DT A 1 -8.341 11.972 -4.562 1.00 0.00 H new ATOM 0 H5'' DT A 1 -7.655 11.488 -3.023 1.00 0.00 H new ATOM 0 H4' DT A 1 -6.377 11.269 -5.730 1.00 0.00 H new ATOM 0 H3' DT A 1 -8.146 9.402 -4.569 1.00 0.00 H new ATOM 0 H2' DT A 1 -6.620 8.480 -2.976 1.00 0.00 H new ATOM 0 H2'' DT A 1 -6.073 7.597 -4.387 1.00 0.00 H new ATOM 0 HO5' DT A 1 -5.786 13.007 -3.924 1.00 0.00 H new ATOM 0 H1' DT A 1 -4.306 9.051 -4.810 1.00 0.00 H new ATOM 0 H3 DT A 1 -1.057 8.288 -1.952 1.00 0.00 H new ATOM 0 H71 DT A 1 -5.191 10.053 0.965 1.00 0.00 H new ATOM 0 H72 DT A 1 -4.833 8.348 1.331 1.00 0.00 H new ATOM 0 H73 DT A 1 -3.618 9.605 1.665 1.00 0.00 H new ATOM 0 H6 DT A 1 -5.604 9.610 -1.398 1.00 0.00 H new ATOM 31 P DA A 2 -7.557 7.563 -6.630 1.00 0.00 P ATOM 32 OP1 DA A 2 -8.269 7.674 -7.929 1.00 0.00 O ATOM 33 OP2 DA A 2 -8.262 6.991 -5.455 1.00 0.00 O ATOM 34 O5' DA A 2 -6.226 6.718 -6.859 1.00 0.00 O ATOM 35 C5' DA A 2 -5.115 7.272 -7.566 1.00 0.00 C ATOM 36 C4' DA A 2 -3.924 6.345 -7.483 1.00 0.00 C ATOM 37 O4' DA A 2 -3.290 6.521 -6.194 1.00 0.00 O ATOM 38 C3' DA A 2 -4.252 4.852 -7.604 1.00 0.00 C ATOM 39 O3' DA A 2 -3.411 4.248 -8.593 1.00 0.00 O ATOM 40 C2' DA A 2 -3.953 4.287 -6.224 1.00 0.00 C ATOM 41 C1' DA A 2 -2.940 5.261 -5.663 1.00 0.00 C ATOM 42 N9 DA A 2 -2.942 5.372 -4.204 1.00 0.00 N ATOM 43 C8 DA A 2 -3.997 5.705 -3.392 1.00 0.00 C ATOM 44 N7 DA A 2 -3.697 5.728 -2.117 1.00 0.00 N ATOM 45 C5 DA A 2 -2.352 5.387 -2.085 1.00 0.00 C ATOM 46 C6 DA A 2 -1.440 5.236 -1.028 1.00 0.00 C ATOM 47 N6 DA A 2 -1.759 5.418 0.255 1.00 0.00 N ATOM 48 N1 DA A 2 -0.172 4.888 -1.336 1.00 0.00 N ATOM 49 C2 DA A 2 0.147 4.704 -2.624 1.00 0.00 C ATOM 50 N3 DA A 2 -0.622 4.816 -3.706 1.00 0.00 N ATOM 51 C4 DA A 2 -1.874 5.164 -3.364 1.00 0.00 C ATOM 0 H5' DA A 2 -4.857 8.245 -7.147 1.00 0.00 H new ATOM 0 H5'' DA A 2 -5.385 7.436 -8.609 1.00 0.00 H new ATOM 0 H4' DA A 2 -3.293 6.612 -8.330 1.00 0.00 H new ATOM 0 H3' DA A 2 -5.282 4.666 -7.909 1.00 0.00 H new ATOM 0 H2' DA A 2 -4.850 4.238 -5.606 1.00 0.00 H new ATOM 0 H2'' DA A 2 -3.550 3.276 -6.282 1.00 0.00 H new ATOM 0 H1' DA A 2 -1.945 4.909 -5.934 1.00 0.00 H new ATOM 0 H8 DA A 2 -4.984 5.928 -3.769 1.00 0.00 H new ATOM 0 H61 DA A 2 -1.051 5.293 0.979 1.00 0.00 H new ATOM 0 H62 DA A 2 -2.710 5.682 0.511 1.00 0.00 H new ATOM 0 H2 DA A 2 1.173 4.425 -2.812 1.00 0.00 H new ATOM 63 P DT A 3 -3.613 2.700 -8.982 1.00 0.00 P ATOM 64 OP1 DT A 3 -3.421 2.563 -10.448 1.00 0.00 O ATOM 65 OP2 DT A 3 -4.880 2.234 -8.362 1.00 0.00 O ATOM 66 O5' DT A 3 -2.405 1.962 -8.250 1.00 0.00 O ATOM 67 C5' DT A 3 -1.061 2.428 -8.397 1.00 0.00 C ATOM 68 C4' DT A 3 -0.137 1.660 -7.481 1.00 0.00 C ATOM 69 O4' DT A 3 -0.345 2.120 -6.126 1.00 0.00 O ATOM 70 C3' DT A 3 -0.358 0.143 -7.460 1.00 0.00 C ATOM 71 O3' DT A 3 0.881 -0.537 -7.694 1.00 0.00 O ATOM 72 C2' DT A 3 -0.866 -0.146 -6.055 1.00 0.00 C ATOM 73 C1' DT A 3 -0.323 1.016 -5.252 1.00 0.00 C ATOM 74 N1 DT A 3 -1.113 1.371 -4.057 1.00 0.00 N ATOM 75 C2 DT A 3 -0.470 1.427 -2.841 1.00 0.00 C ATOM 76 O2 DT A 3 0.718 1.195 -2.702 1.00 0.00 O ATOM 77 N3 DT A 3 -1.274 1.770 -1.789 1.00 0.00 N ATOM 78 C4 DT A 3 -2.621 2.052 -1.823 1.00 0.00 C ATOM 79 O4 DT A 3 -3.207 2.352 -0.786 1.00 0.00 O ATOM 80 C5 DT A 3 -3.235 1.972 -3.129 1.00 0.00 C ATOM 81 C7 DT A 3 -4.698 2.259 -3.263 1.00 0.00 C ATOM 82 C6 DT A 3 -2.462 1.639 -4.172 1.00 0.00 C ATOM 0 H5' DT A 3 -1.011 3.492 -8.167 1.00 0.00 H new ATOM 0 H5'' DT A 3 -0.739 2.310 -9.432 1.00 0.00 H new ATOM 0 H4' DT A 3 0.867 1.842 -7.865 1.00 0.00 H new ATOM 0 H3' DT A 3 -1.054 -0.192 -8.229 1.00 0.00 H new ATOM 0 H2' DT A 3 -1.955 -0.187 -6.020 1.00 0.00 H new ATOM 0 H2'' DT A 3 -0.498 -1.102 -5.681 1.00 0.00 H new ATOM 0 H1' DT A 3 0.664 0.738 -4.882 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.824 1.823 -0.875 1.00 0.00 H new ATOM 0 H71 DT A 3 -4.898 2.674 -4.251 1.00 0.00 H new ATOM 0 H72 DT A 3 -5.263 1.336 -3.136 1.00 0.00 H new ATOM 0 H73 DT A 3 -4.999 2.976 -2.500 1.00 0.00 H new ATOM 0 H6 DT A 3 -2.917 1.577 -5.150 1.00 0.00 H new ATOM 95 P DC A 4 0.894 -2.134 -7.885 1.00 0.00 P ATOM 96 OP1 DC A 4 2.013 -2.479 -8.797 1.00 0.00 O ATOM 97 OP2 DC A 4 -0.488 -2.560 -8.227 1.00 0.00 O ATOM 98 O5' DC A 4 1.236 -2.692 -6.432 1.00 0.00 O ATOM 99 C5' DC A 4 2.584 -2.741 -5.961 1.00 0.00 C ATOM 100 C4' DC A 4 2.695 -3.689 -4.790 1.00 0.00 C ATOM 101 O4' DC A 4 2.021 -3.099 -3.652 1.00 0.00 O ATOM 102 C3' DC A 4 2.051 -5.061 -5.007 1.00 0.00 C ATOM 103 O3' DC A 4 2.893 -6.092 -4.480 1.00 0.00 O ATOM 104 C2' DC A 4 0.753 -4.981 -4.224 1.00 0.00 C ATOM 105 C1' DC A 4 1.094 -4.018 -3.105 1.00 0.00 C ATOM 106 N1 DC A 4 -0.045 -3.248 -2.575 1.00 0.00 N ATOM 107 C2 DC A 4 -0.152 -3.069 -1.192 1.00 0.00 C ATOM 108 O2 DC A 4 0.711 -3.565 -0.452 1.00 0.00 O ATOM 109 N3 DC A 4 -1.193 -2.363 -0.695 1.00 0.00 N ATOM 110 C4 DC A 4 -2.104 -1.847 -1.523 1.00 0.00 C ATOM 111 N4 DC A 4 -3.111 -1.159 -0.986 1.00 0.00 N ATOM 112 C5 DC A 4 -2.021 -2.015 -2.935 1.00 0.00 C ATOM 113 C6 DC A 4 -0.984 -2.716 -3.413 1.00 0.00 C ATOM 0 H5' DC A 4 2.909 -1.744 -5.663 1.00 0.00 H new ATOM 0 H5'' DC A 4 3.246 -3.065 -6.764 1.00 0.00 H new ATOM 0 H4' DC A 4 3.764 -3.844 -4.644 1.00 0.00 H new ATOM 0 H3' DC A 4 1.893 -5.296 -6.060 1.00 0.00 H new ATOM 0 H2' DC A 4 -0.068 -4.612 -4.839 1.00 0.00 H new ATOM 0 H2'' DC A 4 0.451 -5.956 -3.841 1.00 0.00 H new ATOM 0 H1' DC A 4 1.470 -4.605 -2.267 1.00 0.00 H new ATOM 0 H41 DC A 4 -3.827 -0.750 -1.587 1.00 0.00 H new ATOM 0 H42 DC A 4 -3.166 -1.042 0.026 1.00 0.00 H new ATOM 0 H5 DC A 4 -2.765 -1.594 -3.595 1.00 0.00 H new ATOM 0 H6 DC A 4 -0.889 -2.863 -4.479 1.00 0.00 H new ATOM 125 P DA A 5 2.629 -7.627 -4.883 1.00 0.00 P ATOM 126 OP1 DA A 5 3.817 -8.096 -5.640 1.00 0.00 O ATOM 127 OP2 DA A 5 1.280 -7.730 -5.499 1.00 0.00 O ATOM 128 O5' DA A 5 2.597 -8.394 -3.488 1.00 0.00 O ATOM 129 C5' DA A 5 3.195 -7.827 -2.321 1.00 0.00 C ATOM 130 C4' DA A 5 2.256 -7.944 -1.143 1.00 0.00 C ATOM 131 O4' DA A 5 1.139 -7.047 -1.351 1.00 0.00 O ATOM 132 C3' DA A 5 1.657 -9.339 -0.927 1.00 0.00 C ATOM 133 O3' DA A 5 1.861 -9.745 0.431 1.00 0.00 O ATOM 134 C2' DA A 5 0.177 -9.165 -1.236 1.00 0.00 C ATOM 135 C1' DA A 5 -0.057 -7.694 -0.975 1.00 0.00 C ATOM 136 N9 DA A 5 -1.151 -7.098 -1.742 1.00 0.00 N ATOM 137 C8 DA A 5 -1.433 -7.255 -3.076 1.00 0.00 C ATOM 138 N7 DA A 5 -2.482 -6.579 -3.478 1.00 0.00 N ATOM 139 C5 DA A 5 -2.922 -5.935 -2.330 1.00 0.00 C ATOM 140 C6 DA A 5 -3.998 -5.064 -2.087 1.00 0.00 C ATOM 141 N6 DA A 5 -4.860 -4.668 -3.025 1.00 0.00 N ATOM 142 N1 DA A 5 -4.160 -4.603 -0.827 1.00 0.00 N ATOM 143 C2 DA A 5 -3.295 -4.998 0.115 1.00 0.00 C ATOM 144 N3 DA A 5 -2.246 -5.809 0.009 1.00 0.00 N ATOM 145 C4 DA A 5 -2.113 -6.248 -1.253 1.00 0.00 C ATOM 0 H5' DA A 5 3.436 -6.779 -2.500 1.00 0.00 H new ATOM 0 H5'' DA A 5 4.133 -8.337 -2.100 1.00 0.00 H new ATOM 0 H4' DA A 5 2.861 -7.706 -0.268 1.00 0.00 H new ATOM 0 H3' DA A 5 2.112 -10.106 -1.553 1.00 0.00 H new ATOM 0 H2' DA A 5 -0.054 -9.433 -2.267 1.00 0.00 H new ATOM 0 H2'' DA A 5 -0.445 -9.792 -0.597 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.334 -7.578 0.073 1.00 0.00 H new ATOM 0 H8 DA A 5 -0.845 -7.878 -3.734 1.00 0.00 H new ATOM 0 H61 DA A 5 -5.621 -4.033 -2.783 1.00 0.00 H new ATOM 0 H62 DA A 5 -4.758 -5.000 -3.984 1.00 0.00 H new ATOM 0 H2 DA A 5 -3.475 -4.601 1.103 1.00 0.00 H new HETATM 157 P 0DT A 6 1.223 -11.122 0.958 1.00 0.00 P HETATM 158 OP1 0DT A 6 1.958 -11.542 2.179 1.00 0.00 O HETATM 159 OP2 0DT A 6 1.127 -12.051 -0.197 1.00 0.00 O HETATM 160 O5' 0DT A 6 -0.255 -10.702 1.379 1.00 0.00 O HETATM 161 C5' 0DT A 6 -0.479 -9.666 2.337 1.00 0.00 C HETATM 162 C4' 0DT A 6 -0.662 -10.263 3.713 1.00 0.00 C HETATM 163 O4' 0DT A 6 -1.015 -11.658 3.579 1.00 0.00 O HETATM 164 C3' 0DT A 6 -1.787 -9.658 4.544 1.00 0.00 C HETATM 165 O3' 0DT A 6 -1.543 -9.869 5.941 1.00 0.00 O HETATM 166 C2' 0DT A 6 -2.998 -10.448 4.084 1.00 0.00 C HETATM 167 C1' 0DT A 6 -2.419 -11.823 3.758 1.00 0.00 C HETATM 168 N1 0DT A 6 -2.966 -12.430 2.528 1.00 0.00 N HETATM 169 C2 0DT A 6 -3.784 -13.531 2.649 1.00 0.00 C HETATM 170 O2 0DT A 6 -4.072 -14.031 3.724 1.00 0.00 O HETATM 171 N3 0DT A 6 -4.255 -14.027 1.463 1.00 0.00 N HETATM 172 C4 0DT A 6 -4.000 -13.546 0.197 1.00 0.00 C HETATM 173 O4 0DT A 6 -4.496 -14.102 -0.778 1.00 0.00 O HETATM 174 C5 0DT A 6 -3.134 -12.389 0.141 1.00 0.00 C HETATM 175 C5M 0DT A 6 -2.836 -11.768 -1.189 1.00 0.00 C HETATM 176 C6 0DT A 6 -2.660 -11.895 1.292 1.00 0.00 C HETATM 0 H5'' 0DT A 6 0.364 -8.975 2.341 1.00 0.00 H new HETATM 0 H2'' 0DT A 6 -3.759 -10.506 4.862 1.00 0.00 H new HETATM 0 H73 0DT A 6 -2.352 -12.502 -1.833 1.00 0.00 H new HETATM 0 H72 0DT A 6 -3.765 -11.436 -1.652 1.00 0.00 H new HETATM 0 H71 0DT A 6 -2.173 -10.913 -1.051 1.00 0.00 H new HETATM 0 H6 0DT A 6 -2.000 -11.028 1.251 1.00 0.00 H new HETATM 0 H5' 0DT A 6 -1.362 -9.090 2.061 1.00 0.00 H new HETATM 0 H4' 0DT A 6 0.286 -10.073 4.217 1.00 0.00 H new HETATM 0 H3' 0DT A 6 -1.899 -8.581 4.417 1.00 0.00 H new HETATM 0 H3 0DT A 6 -4.863 -14.844 1.523 1.00 0.00 H new HETATM 0 H2' 0DT A 6 -3.468 -9.993 3.212 1.00 0.00 H new HETATM 0 H1' 0DT A 6 -2.679 -12.490 4.580 1.00 0.00 H new ATOM 189 P DC A 7 -2.257 -8.926 7.031 1.00 0.00 P ATOM 190 OP1 DC A 7 -2.614 -9.790 8.186 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.316 -8.138 6.351 1.00 0.00 O ATOM 192 O5' DC A 7 -1.106 -7.921 7.485 1.00 0.00 O ATOM 193 C5' DC A 7 -0.531 -7.990 8.793 1.00 0.00 C ATOM 194 C4' DC A 7 -0.187 -6.603 9.284 1.00 0.00 C ATOM 195 O4' DC A 7 0.845 -6.044 8.441 1.00 0.00 O ATOM 196 C3' DC A 7 -1.329 -5.595 9.222 1.00 0.00 C ATOM 197 O3' DC A 7 -1.124 -4.551 10.180 1.00 0.00 O ATOM 198 C2' DC A 7 -1.220 -5.069 7.803 1.00 0.00 C ATOM 199 C1' DC A 7 0.287 -5.086 7.547 1.00 0.00 C ATOM 200 N1 DC A 7 0.703 -5.463 6.181 1.00 0.00 N ATOM 201 C2 DC A 7 2.072 -5.588 5.909 1.00 0.00 C ATOM 202 O2 DC A 7 2.889 -5.358 6.815 1.00 0.00 O ATOM 203 N3 DC A 7 2.472 -5.956 4.671 1.00 0.00 N ATOM 204 C4 DC A 7 1.566 -6.196 3.723 1.00 0.00 C ATOM 205 N4 DC A 7 2.008 -6.559 2.518 1.00 0.00 N ATOM 206 C5 DC A 7 0.167 -6.074 3.966 1.00 0.00 C ATOM 207 C6 DC A 7 -0.217 -5.698 5.194 1.00 0.00 C ATOM 0 H5' DC A 7 0.366 -8.609 8.772 1.00 0.00 H new ATOM 0 H5'' DC A 7 -1.230 -8.465 9.481 1.00 0.00 H new ATOM 0 H4' DC A 7 0.101 -6.746 10.325 1.00 0.00 H new ATOM 0 H3' DC A 7 -2.308 -6.016 9.451 1.00 0.00 H new ATOM 0 H2' DC A 7 -1.757 -5.701 7.096 1.00 0.00 H new ATOM 0 H2'' DC A 7 -1.634 -4.065 7.711 1.00 0.00 H new ATOM 0 H1' DC A 7 0.635 -4.063 7.692 1.00 0.00 H new ATOM 0 H41 DC A 7 1.344 -6.751 1.768 1.00 0.00 H new ATOM 0 H42 DC A 7 3.010 -6.645 2.347 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.556 -6.277 3.190 1.00 0.00 H new ATOM 0 H6 DC A 7 -1.269 -5.578 5.409 1.00 0.00 H new ATOM 219 P DG A 8 -2.379 -3.696 10.711 1.00 0.00 P ATOM 220 OP1 DG A 8 -1.984 -3.039 11.984 1.00 0.00 O ATOM 221 OP2 DG A 8 -3.573 -4.577 10.682 1.00 0.00 O ATOM 222 O5' DG A 8 -2.571 -2.569 9.600 1.00 0.00 O ATOM 223 C5' DG A 8 -1.817 -1.354 9.642 1.00 0.00 C ATOM 224 C4' DG A 8 -0.404 -1.597 9.166 1.00 0.00 C ATOM 225 O4' DG A 8 -0.445 -2.204 7.853 1.00 0.00 O ATOM 226 C3' DG A 8 0.441 -0.336 9.003 1.00 0.00 C ATOM 227 O3' DG A 8 1.828 -0.626 9.214 1.00 0.00 O ATOM 228 C2' DG A 8 0.188 0.059 7.560 1.00 0.00 C ATOM 229 C1' DG A 8 -0.016 -1.278 6.863 1.00 0.00 C ATOM 230 N9 DG A 8 -1.030 -1.247 5.814 1.00 0.00 N ATOM 231 C8 DG A 8 -2.352 -0.911 5.959 1.00 0.00 C ATOM 232 N7 DG A 8 -3.021 -0.957 4.841 1.00 0.00 N ATOM 233 C5 DG A 8 -2.082 -1.351 3.897 1.00 0.00 C ATOM 234 C6 DG A 8 -2.217 -1.574 2.502 1.00 0.00 C ATOM 235 O6 DG A 8 -3.227 -1.462 1.799 1.00 0.00 O ATOM 236 N1 DG A 8 -1.013 -1.965 1.927 1.00 0.00 N ATOM 237 C2 DG A 8 0.169 -2.124 2.606 1.00 0.00 C ATOM 238 N2 DG A 8 1.222 -2.510 1.878 1.00 0.00 N ATOM 239 N3 DG A 8 0.311 -1.919 3.905 1.00 0.00 N ATOM 240 C4 DG A 8 -0.847 -1.537 4.483 1.00 0.00 C ATOM 0 H5' DG A 8 -1.803 -0.962 10.659 1.00 0.00 H new ATOM 0 H5'' DG A 8 -2.294 -0.600 9.016 1.00 0.00 H new ATOM 0 H4' DG A 8 0.048 -2.222 9.936 1.00 0.00 H new ATOM 0 H3' DG A 8 0.188 0.449 9.715 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.689 0.700 7.466 1.00 0.00 H new ATOM 0 H2'' DG A 8 1.031 0.608 7.139 1.00 0.00 H new ATOM 0 H1' DG A 8 0.926 -1.550 6.387 1.00 0.00 H new ATOM 0 H8 DG A 8 -2.795 -0.636 6.905 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.008 -2.148 0.924 1.00 0.00 H new ATOM 0 H21 DG A 8 2.129 -2.646 2.325 1.00 0.00 H new ATOM 0 H22 DG A 8 1.118 -2.669 0.876 1.00 0.00 H new ATOM 252 P DA A 9 2.903 0.571 9.212 1.00 0.00 P ATOM 253 OP1 DA A 9 4.072 0.148 10.023 1.00 0.00 O ATOM 254 OP2 DA A 9 2.184 1.823 9.561 1.00 0.00 O ATOM 255 O5' DA A 9 3.359 0.681 7.690 1.00 0.00 O ATOM 256 C5' DA A 9 4.093 -0.373 7.063 1.00 0.00 C ATOM 257 C4' DA A 9 4.682 0.104 5.755 1.00 0.00 C ATOM 258 O4' DA A 9 3.635 0.123 4.753 1.00 0.00 O ATOM 259 C3' DA A 9 5.271 1.518 5.779 1.00 0.00 C ATOM 260 O3' DA A 9 6.482 1.560 5.015 1.00 0.00 O ATOM 261 C2' DA A 9 4.192 2.365 5.130 1.00 0.00 C ATOM 262 C1' DA A 9 3.569 1.399 4.143 1.00 0.00 C ATOM 263 N9 DA A 9 2.169 1.675 3.825 1.00 0.00 N ATOM 264 C8 DA A 9 1.150 1.969 4.697 1.00 0.00 C ATOM 265 N7 DA A 9 -0.004 2.174 4.111 1.00 0.00 N ATOM 266 C5 DA A 9 0.273 2.003 2.762 1.00 0.00 C ATOM 267 C6 DA A 9 -0.531 2.088 1.614 1.00 0.00 C ATOM 268 N6 DA A 9 -1.833 2.379 1.642 1.00 0.00 N ATOM 269 N1 DA A 9 0.054 1.861 0.418 1.00 0.00 N ATOM 270 C2 DA A 9 1.363 1.571 0.389 1.00 0.00 C ATOM 271 N3 DA A 9 2.224 1.464 1.399 1.00 0.00 N ATOM 272 C4 DA A 9 1.608 1.694 2.571 1.00 0.00 C ATOM 0 H5' DA A 9 3.438 -1.226 6.885 1.00 0.00 H new ATOM 0 H5'' DA A 9 4.889 -0.715 7.725 1.00 0.00 H new ATOM 0 H4' DA A 9 5.495 -0.590 5.543 1.00 0.00 H new ATOM 0 H3' DA A 9 5.528 1.862 6.781 1.00 0.00 H new ATOM 0 H2' DA A 9 3.466 2.726 5.858 1.00 0.00 H new ATOM 0 H2'' DA A 9 4.608 3.242 4.633 1.00 0.00 H new ATOM 0 H1' DA A 9 4.113 1.480 3.202 1.00 0.00 H new ATOM 0 H8 DA A 9 1.287 2.026 5.767 1.00 0.00 H new ATOM 0 H61 DA A 9 -2.364 2.426 0.772 1.00 0.00 H new ATOM 0 H62 DA A 9 -2.297 2.554 2.533 1.00 0.00 H new ATOM 0 H2 DA A 9 1.778 1.400 -0.593 1.00 0.00 H new ATOM 284 P DT A 10 7.328 2.926 4.925 1.00 0.00 P ATOM 285 OP1 DT A 10 8.741 2.615 5.256 1.00 0.00 O ATOM 286 OP2 DT A 10 6.606 3.968 5.702 1.00 0.00 O ATOM 287 O5' DT A 10 7.254 3.322 3.383 1.00 0.00 O ATOM 288 C5' DT A 10 7.545 2.362 2.364 1.00 0.00 C ATOM 289 C4' DT A 10 7.210 2.923 1.001 1.00 0.00 C ATOM 290 O4' DT A 10 5.768 2.955 0.848 1.00 0.00 O ATOM 291 C3' DT A 10 7.692 4.353 0.742 1.00 0.00 C ATOM 292 O3' DT A 10 8.210 4.461 -0.590 1.00 0.00 O ATOM 293 C2' DT A 10 6.432 5.186 0.897 1.00 0.00 C ATOM 294 C1' DT A 10 5.376 4.232 0.383 1.00 0.00 C ATOM 295 N1 DT A 10 4.005 4.495 0.865 1.00 0.00 N ATOM 296 C2 DT A 10 2.997 4.577 -0.069 1.00 0.00 C ATOM 297 O2 DT A 10 3.186 4.437 -1.266 1.00 0.00 O ATOM 298 N3 DT A 10 1.756 4.829 0.449 1.00 0.00 N ATOM 299 C4 DT A 10 1.426 5.003 1.775 1.00 0.00 C ATOM 300 O4 DT A 10 0.258 5.220 2.086 1.00 0.00 O ATOM 301 C5 DT A 10 2.529 4.905 2.704 1.00 0.00 C ATOM 302 C7 DT A 10 2.263 5.096 4.165 1.00 0.00 C ATOM 303 C6 DT A 10 3.753 4.657 2.213 1.00 0.00 C ATOM 0 H5' DT A 10 6.973 1.451 2.540 1.00 0.00 H new ATOM 0 H5'' DT A 10 8.600 2.089 2.403 1.00 0.00 H new ATOM 0 H4' DT A 10 7.723 2.267 0.298 1.00 0.00 H new ATOM 0 H3' DT A 10 8.491 4.669 1.413 1.00 0.00 H new ATOM 0 H2' DT A 10 6.255 5.474 1.933 1.00 0.00 H new ATOM 0 H2'' DT A 10 6.474 6.106 0.313 1.00 0.00 H new ATOM 0 H1' DT A 10 5.325 4.335 -0.701 1.00 0.00 H new ATOM 0 H3 DT A 10 0.990 4.895 -0.221 1.00 0.00 H new ATOM 0 H71 DT A 10 2.974 4.507 4.744 1.00 0.00 H new ATOM 0 H72 DT A 10 2.372 6.150 4.420 1.00 0.00 H new ATOM 0 H73 DT A 10 1.249 4.770 4.396 1.00 0.00 H new ATOM 0 H6 DT A 10 4.579 4.581 2.904 1.00 0.00 H new ATOM 316 P DA A 11 8.903 5.830 -1.075 1.00 0.00 P ATOM 317 OP1 DA A 11 10.281 5.490 -1.512 1.00 0.00 O ATOM 318 OP2 DA A 11 8.701 6.872 -0.035 1.00 0.00 O ATOM 319 O5' DA A 11 8.067 6.246 -2.366 1.00 0.00 O ATOM 320 C5' DA A 11 7.982 5.376 -3.497 1.00 0.00 C ATOM 321 C4' DA A 11 7.069 5.967 -4.547 1.00 0.00 C ATOM 322 O4' DA A 11 5.710 5.947 -4.046 1.00 0.00 O ATOM 323 C3' DA A 11 7.359 7.423 -4.916 1.00 0.00 C ATOM 324 O3' DA A 11 7.127 7.653 -6.308 1.00 0.00 O ATOM 325 C2' DA A 11 6.363 8.204 -4.080 1.00 0.00 C ATOM 326 C1' DA A 11 5.176 7.261 -4.019 1.00 0.00 C ATOM 327 N9 DA A 11 4.361 7.388 -2.812 1.00 0.00 N ATOM 328 C8 DA A 11 4.784 7.365 -1.506 1.00 0.00 C ATOM 329 N7 DA A 11 3.816 7.505 -0.634 1.00 0.00 N ATOM 330 C5 DA A 11 2.678 7.628 -1.418 1.00 0.00 C ATOM 331 C6 DA A 11 1.321 7.804 -1.094 1.00 0.00 C ATOM 332 N6 DA A 11 0.861 7.888 0.156 1.00 0.00 N ATOM 333 N1 DA A 11 0.439 7.892 -2.113 1.00 0.00 N ATOM 334 C2 DA A 11 0.899 7.804 -3.369 1.00 0.00 C ATOM 335 N3 DA A 11 2.147 7.639 -3.799 1.00 0.00 N ATOM 336 C4 DA A 11 2.998 7.557 -2.761 1.00 0.00 C ATOM 0 H5' DA A 11 7.607 4.401 -3.187 1.00 0.00 H new ATOM 0 H5'' DA A 11 8.975 5.217 -3.917 1.00 0.00 H new ATOM 0 H4' DA A 11 7.230 5.358 -5.437 1.00 0.00 H new ATOM 0 H3' DA A 11 8.395 7.707 -4.730 1.00 0.00 H new ATOM 0 H2' DA A 11 6.754 8.429 -3.088 1.00 0.00 H new ATOM 0 H2'' DA A 11 6.102 9.156 -4.543 1.00 0.00 H new ATOM 0 HO3' DA A 11 7.317 8.591 -6.521 1.00 0.00 H new ATOM 0 H1' DA A 11 4.519 7.499 -4.856 1.00 0.00 H new ATOM 0 H8 DA A 11 5.819 7.243 -1.223 1.00 0.00 H new ATOM 0 H61 DA A 11 -0.137 8.016 0.325 1.00 0.00 H new ATOM 0 H62 DA A 11 1.507 7.824 0.943 1.00 0.00 H new ATOM 0 H2 DA A 11 0.149 7.878 -4.143 1.00 0.00 H new TER 349 DA A 11