USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=4 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 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl -30:sc= -0.441 (180deg=-1.13) USER MOD Single : A 10 DT C7 :methyl -30:sc= -1.78 (180deg=-1.87!) USER MOD Single : A 11 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -8.571 11.680 -2.867 1.00 0.00 O ATOM 2 C5' DT A 1 -7.217 11.579 -2.415 1.00 0.00 C ATOM 3 C4' DT A 1 -6.459 10.540 -3.208 1.00 0.00 C ATOM 4 O4' DT A 1 -5.084 10.526 -2.755 1.00 0.00 O ATOM 5 C3' DT A 1 -6.972 9.103 -3.056 1.00 0.00 C ATOM 6 O3' DT A 1 -7.065 8.477 -4.342 1.00 0.00 O ATOM 7 C2' DT A 1 -5.907 8.425 -2.210 1.00 0.00 C ATOM 8 C1' DT A 1 -4.664 9.187 -2.611 1.00 0.00 C ATOM 9 N1 DT A 1 -3.563 9.155 -1.630 1.00 0.00 N ATOM 10 C2 DT A 1 -2.377 8.565 -2.003 1.00 0.00 C ATOM 11 O2 DT A 1 -2.197 8.063 -3.099 1.00 0.00 O ATOM 12 N3 DT A 1 -1.404 8.581 -1.040 1.00 0.00 N ATOM 13 C4 DT A 1 -1.493 9.113 0.228 1.00 0.00 C ATOM 14 O4 DT A 1 -0.527 9.053 0.984 1.00 0.00 O ATOM 15 C5 DT A 1 -2.766 9.716 0.556 1.00 0.00 C ATOM 16 C7 DT A 1 -2.951 10.327 1.910 1.00 0.00 C ATOM 17 C6 DT A 1 -3.730 9.708 -0.376 1.00 0.00 C ATOM 0 H5' DT A 1 -7.201 11.317 -1.357 1.00 0.00 H new ATOM 0 H5'' DT A 1 -6.724 12.546 -2.511 1.00 0.00 H new ATOM 0 H4' DT A 1 -6.585 10.829 -4.251 1.00 0.00 H new ATOM 0 H3' DT A 1 -7.964 9.048 -2.607 1.00 0.00 H new ATOM 0 H2' DT A 1 -6.114 8.513 -1.144 1.00 0.00 H new ATOM 0 H2'' DT A 1 -5.824 7.361 -2.432 1.00 0.00 H new ATOM 0 HO5' DT A 1 -9.043 12.357 -2.338 1.00 0.00 H new ATOM 0 H1' DT A 1 -4.258 8.726 -3.512 1.00 0.00 H new ATOM 0 H3 DT A 1 -0.513 8.151 -1.289 1.00 0.00 H new ATOM 0 H71 DT A 1 -3.663 11.150 1.844 1.00 0.00 H new ATOM 0 H72 DT A 1 -3.330 9.574 2.600 1.00 0.00 H new ATOM 0 H73 DT A 1 -1.995 10.703 2.273 1.00 0.00 H new ATOM 0 H6 DT A 1 -4.683 10.156 -0.134 1.00 0.00 H new ATOM 31 P DA A 2 -7.729 7.017 -4.477 1.00 0.00 P ATOM 32 OP1 DA A 2 -8.750 7.072 -5.554 1.00 0.00 O ATOM 33 OP2 DA A 2 -8.120 6.563 -3.118 1.00 0.00 O ATOM 34 O5' DA A 2 -6.528 6.094 -4.974 1.00 0.00 O ATOM 35 C5' DA A 2 -5.717 6.477 -6.086 1.00 0.00 C ATOM 36 C4' DA A 2 -4.587 5.493 -6.275 1.00 0.00 C ATOM 37 O4' DA A 2 -3.599 5.710 -5.238 1.00 0.00 O ATOM 38 C3' DA A 2 -4.983 4.019 -6.170 1.00 0.00 C ATOM 39 O3' DA A 2 -4.216 3.233 -7.090 1.00 0.00 O ATOM 40 C2' DA A 2 -4.627 3.666 -4.738 1.00 0.00 C ATOM 41 C1' DA A 2 -3.392 4.512 -4.507 1.00 0.00 C ATOM 42 N9 DA A 2 -3.150 4.873 -3.111 1.00 0.00 N ATOM 43 C8 DA A 2 -4.053 5.366 -2.202 1.00 0.00 C ATOM 44 N7 DA A 2 -3.535 5.606 -1.021 1.00 0.00 N ATOM 45 C5 DA A 2 -2.204 5.241 -1.162 1.00 0.00 C ATOM 46 C6 DA A 2 -1.121 5.256 -0.267 1.00 0.00 C ATOM 47 N6 DA A 2 -1.212 5.669 0.998 1.00 0.00 N ATOM 48 N1 DA A 2 0.077 4.828 -0.723 1.00 0.00 N ATOM 49 C2 DA A 2 0.168 4.413 -1.994 1.00 0.00 C ATOM 50 N3 DA A 2 -0.777 4.352 -2.929 1.00 0.00 N ATOM 51 C4 DA A 2 -1.953 4.787 -2.443 1.00 0.00 C ATOM 0 H5' DA A 2 -5.314 7.477 -5.924 1.00 0.00 H new ATOM 0 H5'' DA A 2 -6.325 6.521 -6.990 1.00 0.00 H new ATOM 0 H4' DA A 2 -4.225 5.673 -7.287 1.00 0.00 H new ATOM 0 H3' DA A 2 -6.031 3.834 -6.407 1.00 0.00 H new ATOM 0 H2' DA A 2 -5.429 3.916 -4.044 1.00 0.00 H new ATOM 0 H2'' DA A 2 -4.422 2.602 -4.618 1.00 0.00 H new ATOM 0 H1' DA A 2 -2.524 3.931 -4.820 1.00 0.00 H new ATOM 0 H8 DA A 2 -5.093 5.540 -2.437 1.00 0.00 H new ATOM 0 H61 DA A 2 -0.388 5.656 1.599 1.00 0.00 H new ATOM 0 H62 DA A 2 -2.105 5.998 1.364 1.00 0.00 H new ATOM 0 H2 DA A 2 1.148 4.081 -2.304 1.00 0.00 H new ATOM 63 P DT A 3 -4.669 1.727 -7.429 1.00 0.00 P ATOM 64 OP1 DT A 3 -5.176 1.701 -8.824 1.00 0.00 O ATOM 65 OP2 DT A 3 -5.540 1.251 -6.324 1.00 0.00 O ATOM 66 O5' DT A 3 -3.314 0.890 -7.371 1.00 0.00 O ATOM 67 C5' DT A 3 -2.135 1.346 -8.041 1.00 0.00 C ATOM 68 C4' DT A 3 -0.907 0.991 -7.234 1.00 0.00 C ATOM 69 O4' DT A 3 -1.060 1.532 -5.900 1.00 0.00 O ATOM 70 C3' DT A 3 -0.651 -0.510 -7.060 1.00 0.00 C ATOM 71 O3' DT A 3 0.721 -0.815 -7.336 1.00 0.00 O ATOM 72 C2' DT A 3 -0.963 -0.770 -5.597 1.00 0.00 C ATOM 73 C1' DT A 3 -0.643 0.565 -4.963 1.00 0.00 C ATOM 74 N1 DT A 3 -1.338 0.834 -3.692 1.00 0.00 N ATOM 75 C2 DT A 3 -0.578 1.097 -2.576 1.00 0.00 C ATOM 76 O2 DT A 3 0.641 1.118 -2.589 1.00 0.00 O ATOM 77 N3 DT A 3 -1.298 1.338 -1.437 1.00 0.00 N ATOM 78 C4 DT A 3 -2.671 1.341 -1.305 1.00 0.00 C ATOM 79 O4 DT A 3 -3.178 1.580 -0.213 1.00 0.00 O ATOM 80 C5 DT A 3 -3.408 1.053 -2.514 1.00 0.00 C ATOM 81 C7 DT A 3 -4.904 1.012 -2.461 1.00 0.00 C ATOM 82 C6 DT A 3 -2.717 0.817 -3.637 1.00 0.00 C ATOM 0 H5' DT A 3 -2.185 2.425 -8.186 1.00 0.00 H new ATOM 0 H5'' DT A 3 -2.072 0.894 -9.031 1.00 0.00 H new ATOM 0 H4' DT A 3 -0.068 1.405 -7.794 1.00 0.00 H new ATOM 0 H3' DT A 3 -1.251 -1.121 -7.734 1.00 0.00 H new ATOM 0 H2' DT A 3 -2.005 -1.054 -5.446 1.00 0.00 H new ATOM 0 H2'' DT A 3 -0.351 -1.573 -5.186 1.00 0.00 H new ATOM 0 H1' DT A 3 0.420 0.580 -4.723 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.760 1.537 -0.593 1.00 0.00 H new ATOM 0 H71 DT A 3 -5.224 0.690 -1.470 1.00 0.00 H new ATOM 0 H72 DT A 3 -5.303 2.006 -2.666 1.00 0.00 H new ATOM 0 H73 DT A 3 -5.275 0.311 -3.208 1.00 0.00 H new ATOM 0 H6 DT A 3 -3.265 0.603 -4.543 1.00 0.00 H new ATOM 95 P DC A 4 1.140 -2.304 -7.776 1.00 0.00 P ATOM 96 OP1 DC A 4 2.289 -2.197 -8.711 1.00 0.00 O ATOM 97 OP2 DC A 4 -0.090 -3.018 -8.208 1.00 0.00 O ATOM 98 O5' DC A 4 1.652 -2.981 -6.426 1.00 0.00 O ATOM 99 C5' DC A 4 3.048 -3.149 -6.170 1.00 0.00 C ATOM 100 C4' DC A 4 3.258 -3.964 -4.915 1.00 0.00 C ATOM 101 O4' DC A 4 2.443 -3.404 -3.857 1.00 0.00 O ATOM 102 C3' DC A 4 2.866 -5.442 -5.025 1.00 0.00 C ATOM 103 O3' DC A 4 3.897 -6.266 -4.470 1.00 0.00 O ATOM 104 C2' DC A 4 1.592 -5.549 -4.204 1.00 0.00 C ATOM 105 C1' DC A 4 1.747 -4.437 -3.189 1.00 0.00 C ATOM 106 N1 DC A 4 0.484 -3.874 -2.681 1.00 0.00 N ATOM 107 C2 DC A 4 0.382 -3.564 -1.320 1.00 0.00 C ATOM 108 O2 DC A 4 1.354 -3.776 -0.580 1.00 0.00 O ATOM 109 N3 DC A 4 -0.772 -3.043 -0.846 1.00 0.00 N ATOM 110 C4 DC A 4 -1.797 -2.833 -1.674 1.00 0.00 C ATOM 111 N4 DC A 4 -2.916 -2.321 -1.164 1.00 0.00 N ATOM 112 C5 DC A 4 -1.723 -3.141 -3.062 1.00 0.00 C ATOM 113 C6 DC A 4 -0.573 -3.654 -3.519 1.00 0.00 C ATOM 0 H5' DC A 4 3.525 -2.175 -6.063 1.00 0.00 H new ATOM 0 H5'' DC A 4 3.523 -3.644 -7.017 1.00 0.00 H new ATOM 0 H4' DC A 4 4.330 -3.921 -4.723 1.00 0.00 H new ATOM 0 H3' DC A 4 2.725 -5.770 -6.055 1.00 0.00 H new ATOM 0 H2' DC A 4 0.703 -5.413 -4.819 1.00 0.00 H new ATOM 0 H2'' DC A 4 1.502 -6.524 -3.724 1.00 0.00 H new ATOM 0 H1' DC A 4 2.257 -4.850 -2.318 1.00 0.00 H new ATOM 0 H41 DC A 4 -3.719 -2.148 -1.768 1.00 0.00 H new ATOM 0 H42 DC A 4 -2.970 -2.102 -0.169 1.00 0.00 H new ATOM 0 H5 DC A 4 -2.561 -2.968 -3.721 1.00 0.00 H new ATOM 0 H6 DC A 4 -0.480 -3.898 -4.567 1.00 0.00 H new ATOM 125 P DA A 5 3.793 -7.868 -4.585 1.00 0.00 P ATOM 126 OP1 DA A 5 5.179 -8.399 -4.640 1.00 0.00 O ATOM 127 OP2 DA A 5 2.835 -8.205 -5.669 1.00 0.00 O ATOM 128 O5' DA A 5 3.150 -8.313 -3.196 1.00 0.00 O ATOM 129 C5' DA A 5 3.449 -7.612 -1.988 1.00 0.00 C ATOM 130 C4' DA A 5 2.330 -7.790 -0.989 1.00 0.00 C ATOM 131 O4' DA A 5 1.152 -7.094 -1.469 1.00 0.00 O ATOM 132 C3' DA A 5 1.893 -9.239 -0.761 1.00 0.00 C ATOM 133 O3' DA A 5 1.596 -9.450 0.623 1.00 0.00 O ATOM 134 C2' DA A 5 0.640 -9.364 -1.606 1.00 0.00 C ATOM 135 C1' DA A 5 0.048 -7.979 -1.459 1.00 0.00 C ATOM 136 N9 DA A 5 -0.864 -7.578 -2.529 1.00 0.00 N ATOM 137 C8 DA A 5 -0.822 -7.920 -3.858 1.00 0.00 C ATOM 138 N7 DA A 5 -1.791 -7.397 -4.570 1.00 0.00 N ATOM 139 C5 DA A 5 -2.523 -6.662 -3.646 1.00 0.00 C ATOM 140 C6 DA A 5 -3.678 -5.872 -3.766 1.00 0.00 C ATOM 141 N6 DA A 5 -4.331 -5.683 -4.914 1.00 0.00 N ATOM 142 N1 DA A 5 -4.151 -5.275 -2.650 1.00 0.00 N ATOM 143 C2 DA A 5 -3.498 -5.467 -1.496 1.00 0.00 C ATOM 144 N3 DA A 5 -2.405 -6.186 -1.257 1.00 0.00 N ATOM 145 C4 DA A 5 -1.962 -6.765 -2.386 1.00 0.00 C ATOM 0 H5' DA A 5 3.591 -6.552 -2.200 1.00 0.00 H new ATOM 0 H5'' DA A 5 4.384 -7.981 -1.567 1.00 0.00 H new ATOM 0 H4' DA A 5 2.727 -7.402 -0.051 1.00 0.00 H new ATOM 0 H3' DA A 5 2.656 -9.970 -1.027 1.00 0.00 H new ATOM 0 H2' DA A 5 0.866 -9.607 -2.644 1.00 0.00 H new ATOM 0 H2'' DA A 5 -0.030 -10.140 -1.236 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.549 -7.962 -0.547 1.00 0.00 H new ATOM 0 H8 DA A 5 -0.061 -8.561 -4.278 1.00 0.00 H new ATOM 0 H61 DA A 5 -5.165 -5.097 -4.936 1.00 0.00 H new ATOM 0 H62 DA A 5 -3.996 -6.125 -5.770 1.00 0.00 H new ATOM 0 H2 DA A 5 -3.920 -4.966 -0.637 1.00 0.00 H new HETATM 157 P 0DT A 6 1.569 -10.943 1.217 1.00 0.00 P HETATM 158 OP1 0DT A 6 2.740 -11.107 2.114 1.00 0.00 O HETATM 159 OP2 0DT A 6 1.379 -11.882 0.081 1.00 0.00 O HETATM 160 O5' 0DT A 6 0.248 -10.976 2.108 1.00 0.00 O HETATM 161 C5' 0DT A 6 -0.366 -9.767 2.559 1.00 0.00 C HETATM 162 C4' 0DT A 6 -1.226 -10.038 3.773 1.00 0.00 C HETATM 163 O4' 0DT A 6 -1.513 -11.451 3.843 1.00 0.00 O HETATM 164 C3' 0DT A 6 -2.590 -9.354 3.775 1.00 0.00 C HETATM 165 O3' 0DT A 6 -3.028 -9.108 5.116 1.00 0.00 O HETATM 166 C2' 0DT A 6 -3.494 -10.368 3.095 1.00 0.00 C HETATM 167 C1' 0DT A 6 -2.814 -11.714 3.334 1.00 0.00 C HETATM 168 N1 0DT A 6 -2.668 -12.545 2.121 1.00 0.00 N HETATM 169 C2 0DT A 6 -3.043 -13.868 2.191 1.00 0.00 C HETATM 170 O2 0DT A 6 -3.476 -14.383 3.208 1.00 0.00 O HETATM 171 N3 0DT A 6 -2.893 -14.570 1.027 1.00 0.00 N HETATM 172 C4 0DT A 6 -2.419 -14.097 -0.177 1.00 0.00 C HETATM 173 O4 0DT A 6 -2.343 -14.852 -1.142 1.00 0.00 O HETATM 174 C5 0DT A 6 -2.042 -12.702 -0.185 1.00 0.00 C HETATM 175 C5M 0DT A 6 -1.565 -12.090 -1.465 1.00 0.00 C HETATM 176 C6 0DT A 6 -2.174 -12.001 0.950 1.00 0.00 C HETATM 0 H5'' 0DT A 6 0.400 -9.031 2.804 1.00 0.00 H new HETATM 0 H2'' 0DT A 6 -4.498 -10.351 3.519 1.00 0.00 H new HETATM 0 H73 0DT A 6 -0.676 -12.617 -1.811 1.00 0.00 H new HETATM 0 H72 0DT A 6 -2.348 -12.167 -2.219 1.00 0.00 H new HETATM 0 H71 0DT A 6 -1.323 -11.040 -1.299 1.00 0.00 H new HETATM 0 H6 0DT A 6 -1.878 -10.952 0.950 1.00 0.00 H new HETATM 0 H5' 0DT A 6 -0.974 -9.340 1.762 1.00 0.00 H new HETATM 0 H4' 0DT A 6 -0.645 -9.648 4.608 1.00 0.00 H new HETATM 0 H3' 0DT A 6 -2.583 -8.386 3.275 1.00 0.00 H new HETATM 0 H3 0DT A 6 -3.162 -15.554 1.053 1.00 0.00 H new HETATM 0 H2' 0DT A 6 -3.594 -10.158 2.030 1.00 0.00 H new HETATM 0 H1' 0DT A 6 -3.446 -12.275 4.023 1.00 0.00 H new ATOM 189 P DC A 7 -4.348 -8.223 5.376 1.00 0.00 P ATOM 190 OP1 DC A 7 -5.186 -8.959 6.358 1.00 0.00 O ATOM 191 OP2 DC A 7 -4.924 -7.839 4.062 1.00 0.00 O ATOM 192 O5' DC A 7 -3.795 -6.902 6.075 1.00 0.00 O ATOM 193 C5' DC A 7 -4.053 -6.634 7.456 1.00 0.00 C ATOM 194 C4' DC A 7 -3.063 -5.623 7.986 1.00 0.00 C ATOM 195 O4' DC A 7 -1.771 -5.869 7.378 1.00 0.00 O ATOM 196 C3' DC A 7 -3.399 -4.164 7.679 1.00 0.00 C ATOM 197 O3' DC A 7 -2.998 -3.324 8.768 1.00 0.00 O ATOM 198 C2' DC A 7 -2.580 -3.867 6.435 1.00 0.00 C ATOM 199 C1' DC A 7 -1.354 -4.746 6.617 1.00 0.00 C ATOM 200 N1 DC A 7 -0.762 -5.248 5.364 1.00 0.00 N ATOM 201 C2 DC A 7 0.631 -5.304 5.252 1.00 0.00 C ATOM 202 O2 DC A 7 1.326 -4.924 6.206 1.00 0.00 O ATOM 203 N3 DC A 7 1.184 -5.769 4.109 1.00 0.00 N ATOM 204 C4 DC A 7 0.404 -6.171 3.105 1.00 0.00 C ATOM 205 N4 DC A 7 0.996 -6.627 2.000 1.00 0.00 N ATOM 206 C5 DC A 7 -1.019 -6.125 3.189 1.00 0.00 C ATOM 207 C6 DC A 7 -1.554 -5.657 4.327 1.00 0.00 C ATOM 0 H5' DC A 7 -3.985 -7.557 8.032 1.00 0.00 H new ATOM 0 H5'' DC A 7 -5.069 -6.257 7.577 1.00 0.00 H new ATOM 0 H4' DC A 7 -3.082 -5.752 9.068 1.00 0.00 H new ATOM 0 H3' DC A 7 -4.465 -3.987 7.533 1.00 0.00 H new ATOM 0 H2' DC A 7 -3.124 -4.116 5.524 1.00 0.00 H new ATOM 0 H2'' DC A 7 -2.314 -2.812 6.369 1.00 0.00 H new ATOM 0 H1' DC A 7 -0.585 -4.138 7.094 1.00 0.00 H new ATOM 0 H41 DC A 7 0.431 -6.943 1.212 1.00 0.00 H new ATOM 0 H42 DC A 7 2.014 -6.660 1.943 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.641 -6.454 2.370 1.00 0.00 H new ATOM 0 H6 DC A 7 -2.628 -5.602 4.426 1.00 0.00 H new ATOM 219 P DG A 8 -3.443 -1.779 8.796 1.00 0.00 P ATOM 220 OP1 DG A 8 -4.202 -1.541 10.050 1.00 0.00 O ATOM 221 OP2 DG A 8 -4.070 -1.457 7.489 1.00 0.00 O ATOM 222 O5' DG A 8 -2.065 -0.986 8.895 1.00 0.00 O ATOM 223 C5' DG A 8 -0.904 -1.595 9.467 1.00 0.00 C ATOM 224 C4' DG A 8 0.332 -1.188 8.698 1.00 0.00 C ATOM 225 O4' DG A 8 0.184 -1.610 7.320 1.00 0.00 O ATOM 226 C3' DG A 8 0.594 0.318 8.650 1.00 0.00 C ATOM 227 O3' DG A 8 2.003 0.580 8.670 1.00 0.00 O ATOM 228 C2' DG A 8 -0.012 0.734 7.323 1.00 0.00 C ATOM 229 C1' DG A 8 0.228 -0.488 6.453 1.00 0.00 C ATOM 230 N9 DG A 8 -0.769 -0.692 5.405 1.00 0.00 N ATOM 231 C8 DG A 8 -2.098 -0.352 5.452 1.00 0.00 C ATOM 232 N7 DG A 8 -2.747 -0.652 4.361 1.00 0.00 N ATOM 233 C5 DG A 8 -1.787 -1.231 3.541 1.00 0.00 C ATOM 234 C6 DG A 8 -1.897 -1.757 2.231 1.00 0.00 C ATOM 235 O6 DG A 8 -2.899 -1.822 1.511 1.00 0.00 O ATOM 236 N1 DG A 8 -0.681 -2.245 1.769 1.00 0.00 N ATOM 237 C2 DG A 8 0.493 -2.232 2.479 1.00 0.00 C ATOM 238 N2 DG A 8 1.563 -2.748 1.859 1.00 0.00 N ATOM 239 N3 DG A 8 0.612 -1.748 3.705 1.00 0.00 N ATOM 240 C4 DG A 8 -0.560 -1.265 4.171 1.00 0.00 C ATOM 0 H5' DG A 8 -1.009 -2.680 9.453 1.00 0.00 H new ATOM 0 H5'' DG A 8 -0.806 -1.298 10.511 1.00 0.00 H new ATOM 0 H4' DG A 8 1.163 -1.659 9.224 1.00 0.00 H new ATOM 0 H3' DG A 8 0.172 0.858 9.498 1.00 0.00 H new ATOM 0 H2' DG A 8 -1.074 0.963 7.416 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.472 1.622 6.917 1.00 0.00 H new ATOM 0 H1' DG A 8 1.181 -0.350 5.943 1.00 0.00 H new ATOM 0 H8 DG A 8 -2.561 0.117 6.308 1.00 0.00 H new ATOM 0 H1 DG A 8 -0.659 -2.643 0.830 1.00 0.00 H new ATOM 0 H21 DG A 8 2.466 -2.768 2.332 1.00 0.00 H new ATOM 0 H22 DG A 8 1.474 -3.120 0.914 1.00 0.00 H new ATOM 252 P DA A 9 2.540 2.045 9.067 1.00 0.00 P ATOM 253 OP1 DA A 9 3.207 1.956 10.391 1.00 0.00 O ATOM 254 OP2 DA A 9 1.424 3.005 8.872 1.00 0.00 O ATOM 255 O5' DA A 9 3.651 2.358 7.967 1.00 0.00 O ATOM 256 C5' DA A 9 4.571 1.350 7.543 1.00 0.00 C ATOM 257 C4' DA A 9 5.058 1.642 6.142 1.00 0.00 C ATOM 258 O4' DA A 9 3.997 1.332 5.206 1.00 0.00 O ATOM 259 C3' DA A 9 5.445 3.100 5.880 1.00 0.00 C ATOM 260 O3' DA A 9 6.630 3.160 5.077 1.00 0.00 O ATOM 261 C2' DA A 9 4.253 3.653 5.120 1.00 0.00 C ATOM 262 C1' DA A 9 3.768 2.440 4.354 1.00 0.00 C ATOM 263 N9 DA A 9 2.345 2.463 4.014 1.00 0.00 N ATOM 264 C8 DA A 9 1.289 2.747 4.844 1.00 0.00 C ATOM 265 N7 DA A 9 0.121 2.683 4.253 1.00 0.00 N ATOM 266 C5 DA A 9 0.427 2.336 2.945 1.00 0.00 C ATOM 267 C6 DA A 9 -0.376 2.114 1.813 1.00 0.00 C ATOM 268 N6 DA A 9 -1.707 2.209 1.820 1.00 0.00 N ATOM 269 N1 DA A 9 0.243 1.785 0.658 1.00 0.00 N ATOM 270 C2 DA A 9 1.579 1.688 0.652 1.00 0.00 C ATOM 271 N3 DA A 9 2.441 1.873 1.651 1.00 0.00 N ATOM 272 C4 DA A 9 1.794 2.198 2.782 1.00 0.00 C ATOM 0 H5' DA A 9 4.089 0.373 7.572 1.00 0.00 H new ATOM 0 H5'' DA A 9 5.417 1.309 8.229 1.00 0.00 H new ATOM 0 H4' DA A 9 5.954 1.033 6.020 1.00 0.00 H new ATOM 0 H3' DA A 9 5.661 3.659 6.791 1.00 0.00 H new ATOM 0 H2' DA A 9 3.488 4.043 5.791 1.00 0.00 H new ATOM 0 H2'' DA A 9 4.538 4.468 4.454 1.00 0.00 H new ATOM 0 H1' DA A 9 4.301 2.403 3.404 1.00 0.00 H new ATOM 0 H8 DA A 9 1.410 3.000 5.887 1.00 0.00 H new ATOM 0 H61 DA A 9 -2.235 2.036 0.965 1.00 0.00 H new ATOM 0 H62 DA A 9 -2.196 2.455 2.681 1.00 0.00 H new ATOM 0 H2 DA A 9 2.020 1.422 -0.297 1.00 0.00 H new ATOM 284 P DT A 10 7.364 4.571 4.834 1.00 0.00 P ATOM 285 OP1 DT A 10 8.651 4.556 5.571 1.00 0.00 O ATOM 286 OP2 DT A 10 6.383 5.657 5.094 1.00 0.00 O ATOM 287 O5' DT A 10 7.685 4.570 3.273 1.00 0.00 O ATOM 288 C5' DT A 10 8.161 3.391 2.622 1.00 0.00 C ATOM 289 C4' DT A 10 7.730 3.383 1.174 1.00 0.00 C ATOM 290 O4' DT A 10 6.281 3.375 1.113 1.00 0.00 O ATOM 291 C3' DT A 10 8.171 4.602 0.361 1.00 0.00 C ATOM 292 O3' DT A 10 8.478 4.214 -0.985 1.00 0.00 O ATOM 293 C2' DT A 10 6.948 5.498 0.398 1.00 0.00 C ATOM 294 C1' DT A 10 5.831 4.473 0.338 1.00 0.00 C ATOM 295 N1 DT A 10 4.536 4.921 0.889 1.00 0.00 N ATOM 296 C2 DT A 10 3.404 4.701 0.137 1.00 0.00 C ATOM 297 O2 DT A 10 3.424 4.160 -0.955 1.00 0.00 O ATOM 298 N3 DT A 10 2.242 5.137 0.712 1.00 0.00 N ATOM 299 C4 DT A 10 2.097 5.759 1.932 1.00 0.00 C ATOM 300 O4 DT A 10 0.980 6.086 2.322 1.00 0.00 O ATOM 301 C5 DT A 10 3.324 5.965 2.670 1.00 0.00 C ATOM 302 C7 DT A 10 3.264 6.660 3.994 1.00 0.00 C ATOM 303 C6 DT A 10 4.473 5.539 2.123 1.00 0.00 C ATOM 0 H5' DT A 10 7.775 2.506 3.129 1.00 0.00 H new ATOM 0 H5'' DT A 10 9.248 3.346 2.685 1.00 0.00 H new ATOM 0 H4' DT A 10 8.203 2.499 0.746 1.00 0.00 H new ATOM 0 H3' DT A 10 9.066 5.086 0.750 1.00 0.00 H new ATOM 0 H2' DT A 10 6.906 6.100 1.306 1.00 0.00 H new ATOM 0 H2'' DT A 10 6.918 6.189 -0.444 1.00 0.00 H new ATOM 0 H1' DT A 10 5.638 4.250 -0.711 1.00 0.00 H new ATOM 0 H3 DT A 10 1.387 4.984 0.177 1.00 0.00 H new ATOM 0 H71 DT A 10 2.433 7.365 3.998 1.00 0.00 H new ATOM 0 H72 DT A 10 3.119 5.924 4.785 1.00 0.00 H new ATOM 0 H73 DT A 10 4.196 7.198 4.165 1.00 0.00 H new ATOM 0 H6 DT A 10 5.391 5.686 2.673 1.00 0.00 H new ATOM 316 P DA A 11 9.142 5.274 -1.995 1.00 0.00 P ATOM 317 OP1 DA A 11 10.381 4.654 -2.528 1.00 0.00 O ATOM 318 OP2 DA A 11 9.216 6.598 -1.325 1.00 0.00 O ATOM 319 O5' DA A 11 8.089 5.380 -3.187 1.00 0.00 O ATOM 320 C5' DA A 11 7.785 4.245 -4.001 1.00 0.00 C ATOM 321 C4' DA A 11 6.686 4.582 -4.981 1.00 0.00 C ATOM 322 O4' DA A 11 5.472 4.874 -4.245 1.00 0.00 O ATOM 323 C3' DA A 11 6.947 5.811 -5.853 1.00 0.00 C ATOM 324 O3' DA A 11 6.372 5.636 -7.150 1.00 0.00 O ATOM 325 C2' DA A 11 6.241 6.925 -5.104 1.00 0.00 C ATOM 326 C1' DA A 11 5.048 6.203 -4.501 1.00 0.00 C ATOM 327 N9 DA A 11 4.568 6.769 -3.240 1.00 0.00 N ATOM 328 C8 DA A 11 5.314 7.155 -2.155 1.00 0.00 C ATOM 329 N7 DA A 11 4.598 7.624 -1.162 1.00 0.00 N ATOM 330 C5 DA A 11 3.292 7.544 -1.626 1.00 0.00 C ATOM 331 C6 DA A 11 2.059 7.889 -1.045 1.00 0.00 C ATOM 332 N6 DA A 11 1.935 8.402 0.181 1.00 0.00 N ATOM 333 N1 DA A 11 0.942 7.685 -1.776 1.00 0.00 N ATOM 334 C2 DA A 11 1.066 7.168 -3.006 1.00 0.00 C ATOM 335 N3 DA A 11 2.167 6.803 -3.658 1.00 0.00 N ATOM 336 C4 DA A 11 3.258 7.019 -2.905 1.00 0.00 C ATOM 0 H5' DA A 11 7.477 3.410 -3.372 1.00 0.00 H new ATOM 0 H5'' DA A 11 8.677 3.926 -4.540 1.00 0.00 H new ATOM 0 H4' DA A 11 6.619 3.712 -5.634 1.00 0.00 H new ATOM 0 H3' DA A 11 8.007 6.007 -6.013 1.00 0.00 H new ATOM 0 H2' DA A 11 6.878 7.368 -4.338 1.00 0.00 H new ATOM 0 H2'' DA A 11 5.934 7.732 -5.769 1.00 0.00 H new ATOM 0 HO3' DA A 11 6.546 6.432 -7.695 1.00 0.00 H new ATOM 0 H1' DA A 11 4.221 6.285 -5.207 1.00 0.00 H new ATOM 0 H8 DA A 11 6.391 7.079 -2.122 1.00 0.00 H new ATOM 0 H61 DA A 11 1.011 8.632 0.547 1.00 0.00 H new ATOM 0 H62 DA A 11 2.764 8.564 0.752 1.00 0.00 H new ATOM 0 H2 DA A 11 0.141 7.028 -3.545 1.00 0.00 H new TER 349 DA A 11