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 -30:sc= 0 (180deg=-0.00278) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl -30:sc= -0.982 (180deg=-1.94) USER MOD Single : A 10 DT C7 :methyl 150:sc= -1.19 (180deg=-1.19) USER MOD Single : A 11 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -8.760 11.397 -4.384 1.00 0.00 O ATOM 2 C5' DT A 1 -7.497 11.302 -3.719 1.00 0.00 C ATOM 3 C4' DT A 1 -6.618 10.264 -4.378 1.00 0.00 C ATOM 4 O4' DT A 1 -5.332 10.266 -3.719 1.00 0.00 O ATOM 5 C3' DT A 1 -7.146 8.826 -4.293 1.00 0.00 C ATOM 6 O3' DT A 1 -7.334 8.298 -5.610 1.00 0.00 O ATOM 7 C2' DT A 1 -6.056 8.056 -3.558 1.00 0.00 C ATOM 8 C1' DT A 1 -4.837 8.947 -3.669 1.00 0.00 C ATOM 9 N1 DT A 1 -3.899 8.860 -2.531 1.00 0.00 N ATOM 10 C2 DT A 1 -2.571 8.611 -2.799 1.00 0.00 C ATOM 11 O2 DT A 1 -2.137 8.451 -3.928 1.00 0.00 O ATOM 12 N3 DT A 1 -1.766 8.555 -1.694 1.00 0.00 N ATOM 13 C4 DT A 1 -2.144 8.714 -0.379 1.00 0.00 C ATOM 14 O4 DT A 1 -1.303 8.636 0.512 1.00 0.00 O ATOM 15 C5 DT A 1 -3.552 8.968 -0.167 1.00 0.00 C ATOM 16 C7 DT A 1 -4.055 9.143 1.231 1.00 0.00 C ATOM 17 C6 DT A 1 -4.353 9.029 -1.240 1.00 0.00 C ATOM 0 H5' DT A 1 -7.651 11.042 -2.672 1.00 0.00 H new ATOM 0 H5'' DT A 1 -6.998 12.271 -3.737 1.00 0.00 H new ATOM 0 H4' DT A 1 -6.578 10.541 -5.431 1.00 0.00 H new ATOM 0 H3' DT A 1 -8.107 8.761 -3.783 1.00 0.00 H new ATOM 0 H2' DT A 1 -6.326 7.878 -2.517 1.00 0.00 H new ATOM 0 H2'' DT A 1 -5.880 7.081 -4.013 1.00 0.00 H new ATOM 0 HO5' DT A 1 -9.313 12.073 -3.940 1.00 0.00 H new ATOM 0 H1' DT A 1 -4.271 8.634 -4.546 1.00 0.00 H new ATOM 0 H3 DT A 1 -0.776 8.376 -1.863 1.00 0.00 H new ATOM 0 H71 DT A 1 -3.439 8.559 1.915 1.00 0.00 H new ATOM 0 H72 DT A 1 -4.005 10.196 1.507 1.00 0.00 H new ATOM 0 H73 DT A 1 -5.088 8.801 1.291 1.00 0.00 H new ATOM 0 H6 DT A 1 -5.405 9.220 -1.086 1.00 0.00 H new ATOM 31 P DA A 2 -7.951 6.824 -5.802 1.00 0.00 P ATOM 32 OP1 DA A 2 -8.806 6.833 -7.015 1.00 0.00 O ATOM 33 OP2 DA A 2 -8.529 6.399 -4.500 1.00 0.00 O ATOM 34 O5' DA A 2 -6.679 5.910 -6.092 1.00 0.00 O ATOM 35 C5' DA A 2 -5.683 6.315 -7.033 1.00 0.00 C ATOM 36 C4' DA A 2 -4.487 5.393 -6.959 1.00 0.00 C ATOM 37 O4' DA A 2 -3.710 5.733 -5.785 1.00 0.00 O ATOM 38 C3' DA A 2 -4.820 3.903 -6.836 1.00 0.00 C ATOM 39 O3' DA A 2 -3.984 3.135 -7.708 1.00 0.00 O ATOM 40 C2' DA A 2 -4.511 3.579 -5.384 1.00 0.00 C ATOM 41 C1' DA A 2 -3.401 4.557 -5.064 1.00 0.00 C ATOM 42 N9 DA A 2 -3.281 4.911 -3.651 1.00 0.00 N ATOM 43 C8 DA A 2 -4.283 5.264 -2.782 1.00 0.00 C ATOM 44 N7 DA A 2 -3.862 5.528 -1.568 1.00 0.00 N ATOM 45 C5 DA A 2 -2.490 5.333 -1.643 1.00 0.00 C ATOM 46 C6 DA A 2 -1.464 5.450 -0.689 1.00 0.00 C ATOM 47 N6 DA A 2 -1.671 5.804 0.580 1.00 0.00 N ATOM 48 N1 DA A 2 -0.202 5.185 -1.088 1.00 0.00 N ATOM 49 C2 DA A 2 0.006 4.828 -2.363 1.00 0.00 C ATOM 50 N3 DA A 2 -0.875 4.684 -3.351 1.00 0.00 N ATOM 51 C4 DA A 2 -2.119 4.954 -2.920 1.00 0.00 C ATOM 0 H5' DA A 2 -5.374 7.340 -6.828 1.00 0.00 H new ATOM 0 H5'' DA A 2 -6.098 6.303 -8.041 1.00 0.00 H new ATOM 0 H4' DA A 2 -3.959 5.537 -7.902 1.00 0.00 H new ATOM 0 H3' DA A 2 -5.850 3.674 -7.109 1.00 0.00 H new ATOM 0 H2' DA A 2 -5.379 3.725 -4.741 1.00 0.00 H new ATOM 0 H2'' DA A 2 -4.191 2.545 -5.257 1.00 0.00 H new ATOM 0 H1' DA A 2 -2.453 4.090 -5.331 1.00 0.00 H new ATOM 0 H8 DA A 2 -5.322 5.319 -3.071 1.00 0.00 H new ATOM 0 H61 DA A 2 -0.884 5.871 1.226 1.00 0.00 H new ATOM 0 H62 DA A 2 -2.616 6.007 0.905 1.00 0.00 H new ATOM 0 H2 DA A 2 1.034 4.629 -2.626 1.00 0.00 H new ATOM 63 P DT A 3 -4.455 1.673 -8.186 1.00 0.00 P ATOM 64 OP1 DT A 3 -4.784 1.742 -9.632 1.00 0.00 O ATOM 65 OP2 DT A 3 -5.477 1.185 -7.225 1.00 0.00 O ATOM 66 O5' DT A 3 -3.152 0.770 -8.014 1.00 0.00 O ATOM 67 C5' DT A 3 -1.867 1.243 -8.424 1.00 0.00 C ATOM 68 C4' DT A 3 -0.783 0.600 -7.590 1.00 0.00 C ATOM 69 O4' DT A 3 -0.739 1.263 -6.306 1.00 0.00 O ATOM 70 C3' DT A 3 -0.990 -0.893 -7.299 1.00 0.00 C ATOM 71 O3' DT A 3 0.112 -1.657 -7.802 1.00 0.00 O ATOM 72 C2' DT A 3 -1.040 -0.990 -5.781 1.00 0.00 C ATOM 73 C1' DT A 3 -0.438 0.316 -5.305 1.00 0.00 C ATOM 74 N1 DT A 3 -0.987 0.812 -4.028 1.00 0.00 N ATOM 75 C2 DT A 3 -0.111 1.075 -2.998 1.00 0.00 C ATOM 76 O2 DT A 3 1.096 0.927 -3.093 1.00 0.00 O ATOM 77 N3 DT A 3 -0.702 1.521 -1.847 1.00 0.00 N ATOM 78 C4 DT A 3 -2.047 1.730 -1.626 1.00 0.00 C ATOM 79 O4 DT A 3 -2.429 2.140 -0.534 1.00 0.00 O ATOM 80 C5 DT A 3 -2.909 1.436 -2.748 1.00 0.00 C ATOM 81 C7 DT A 3 -4.388 1.608 -2.592 1.00 0.00 C ATOM 82 C6 DT A 3 -2.346 0.999 -3.883 1.00 0.00 C ATOM 0 H5' DT A 3 -1.821 2.327 -8.320 1.00 0.00 H new ATOM 0 H5'' DT A 3 -1.707 1.016 -9.478 1.00 0.00 H new ATOM 0 H4' DT A 3 0.131 0.699 -8.175 1.00 0.00 H new ATOM 0 H3' DT A 3 -1.892 -1.282 -7.772 1.00 0.00 H new ATOM 0 H2' DT A 3 -2.062 -1.111 -5.423 1.00 0.00 H new ATOM 0 H2'' DT A 3 -0.472 -1.846 -5.418 1.00 0.00 H new ATOM 0 H1' DT A 3 0.627 0.159 -5.133 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.078 1.721 -1.065 1.00 0.00 H new ATOM 0 H71 DT A 3 -4.668 1.426 -1.554 1.00 0.00 H new ATOM 0 H72 DT A 3 -4.668 2.624 -2.871 1.00 0.00 H new ATOM 0 H73 DT A 3 -4.907 0.899 -3.237 1.00 0.00 H new ATOM 0 H6 DT A 3 -2.987 0.783 -4.725 1.00 0.00 H new ATOM 95 P DC A 4 0.050 -3.264 -7.771 1.00 0.00 P ATOM 96 OP1 DC A 4 0.774 -3.780 -8.961 1.00 0.00 O ATOM 97 OP2 DC A 4 -1.365 -3.659 -7.546 1.00 0.00 O ATOM 98 O5' DC A 4 0.880 -3.659 -6.469 1.00 0.00 O ATOM 99 C5' DC A 4 2.298 -3.496 -6.423 1.00 0.00 C ATOM 100 C4' DC A 4 2.874 -4.248 -5.245 1.00 0.00 C ATOM 101 O4' DC A 4 2.417 -3.621 -4.024 1.00 0.00 O ATOM 102 C3' DC A 4 2.460 -5.716 -5.145 1.00 0.00 C ATOM 103 O3' DC A 4 3.538 -6.502 -4.620 1.00 0.00 O ATOM 104 C2' DC A 4 1.291 -5.688 -4.177 1.00 0.00 C ATOM 105 C1' DC A 4 1.623 -4.519 -3.263 1.00 0.00 C ATOM 106 N1 DC A 4 0.452 -3.774 -2.768 1.00 0.00 N ATOM 107 C2 DC A 4 0.412 -3.388 -1.425 1.00 0.00 C ATOM 108 O2 DC A 4 1.357 -3.693 -0.682 1.00 0.00 O ATOM 109 N3 DC A 4 -0.655 -2.692 -0.969 1.00 0.00 N ATOM 110 C4 DC A 4 -1.655 -2.387 -1.799 1.00 0.00 C ATOM 111 N4 DC A 4 -2.685 -1.695 -1.309 1.00 0.00 N ATOM 112 C5 DC A 4 -1.644 -2.775 -3.169 1.00 0.00 C ATOM 113 C6 DC A 4 -0.581 -3.460 -3.607 1.00 0.00 C ATOM 0 H5' DC A 4 2.547 -2.438 -6.345 1.00 0.00 H new ATOM 0 H5'' DC A 4 2.743 -3.860 -7.349 1.00 0.00 H new ATOM 0 H4' DC A 4 3.954 -4.215 -5.390 1.00 0.00 H new ATOM 0 H3' DC A 4 2.201 -6.158 -6.107 1.00 0.00 H new ATOM 0 H2' DC A 4 0.344 -5.538 -4.694 1.00 0.00 H new ATOM 0 H2'' DC A 4 1.206 -6.622 -3.621 1.00 0.00 H new ATOM 0 H1' DC A 4 2.122 -4.925 -2.383 1.00 0.00 H new ATOM 0 H41 DC A 4 -3.466 -1.445 -1.915 1.00 0.00 H new ATOM 0 H42 DC A 4 -2.691 -1.416 -0.328 1.00 0.00 H new ATOM 0 H5 DC A 4 -2.462 -2.526 -3.829 1.00 0.00 H new ATOM 0 H6 DC A 4 -0.538 -3.770 -4.641 1.00 0.00 H new ATOM 125 P DA A 5 3.470 -8.107 -4.697 1.00 0.00 P ATOM 126 OP1 DA A 5 4.868 -8.609 -4.642 1.00 0.00 O ATOM 127 OP2 DA A 5 2.597 -8.496 -5.834 1.00 0.00 O ATOM 128 O5' DA A 5 2.742 -8.525 -3.343 1.00 0.00 O ATOM 129 C5' DA A 5 3.183 -8.014 -2.084 1.00 0.00 C ATOM 130 C4' DA A 5 2.086 -8.140 -1.052 1.00 0.00 C ATOM 131 O4' DA A 5 1.037 -7.194 -1.369 1.00 0.00 O ATOM 132 C3' DA A 5 1.415 -9.517 -0.981 1.00 0.00 C ATOM 133 O3' DA A 5 1.390 -9.970 0.377 1.00 0.00 O ATOM 134 C2' DA A 5 0.007 -9.275 -1.499 1.00 0.00 C ATOM 135 C1' DA A 5 -0.215 -7.814 -1.176 1.00 0.00 C ATOM 136 N9 DA A 5 -1.193 -7.135 -2.025 1.00 0.00 N ATOM 137 C8 DA A 5 -1.386 -7.277 -3.377 1.00 0.00 C ATOM 138 N7 DA A 5 -2.348 -6.527 -3.855 1.00 0.00 N ATOM 139 C5 DA A 5 -2.822 -5.845 -2.742 1.00 0.00 C ATOM 140 C6 DA A 5 -3.844 -4.894 -2.579 1.00 0.00 C ATOM 141 N6 DA A 5 -4.607 -4.446 -3.577 1.00 0.00 N ATOM 142 N1 DA A 5 -4.060 -4.412 -1.337 1.00 0.00 N ATOM 143 C2 DA A 5 -3.295 -4.860 -0.333 1.00 0.00 C ATOM 144 N3 DA A 5 -2.307 -5.751 -0.361 1.00 0.00 N ATOM 145 C4 DA A 5 -2.118 -6.210 -1.610 1.00 0.00 C ATOM 0 H5' DA A 5 3.473 -6.969 -2.190 1.00 0.00 H new ATOM 0 H5'' DA A 5 4.067 -8.558 -1.753 1.00 0.00 H new ATOM 0 H4' DA A 5 2.574 -7.960 -0.094 1.00 0.00 H new ATOM 0 H3' DA A 5 1.936 -10.280 -1.559 1.00 0.00 H new ATOM 0 H2' DA A 5 -0.071 -9.470 -2.569 1.00 0.00 H new ATOM 0 H2'' DA A 5 -0.723 -9.915 -1.004 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.613 -7.747 -0.163 1.00 0.00 H new ATOM 0 H8 DA A 5 -0.799 -7.945 -3.990 1.00 0.00 H new ATOM 0 H61 DA A 5 -5.333 -3.754 -3.393 1.00 0.00 H new ATOM 0 H62 DA A 5 -4.464 -4.795 -4.525 1.00 0.00 H new ATOM 0 H2 DA A 5 -3.511 -4.438 0.637 1.00 0.00 H new HETATM 157 P 0DT A 6 0.875 -11.455 0.715 1.00 0.00 P HETATM 158 OP1 0DT A 6 1.823 -12.066 1.682 1.00 0.00 O HETATM 159 OP2 0DT A 6 0.589 -12.147 -0.567 1.00 0.00 O HETATM 160 O5' 0DT A 6 -0.508 -11.207 1.462 1.00 0.00 O HETATM 161 C5' 0DT A 6 -0.712 -10.045 2.268 1.00 0.00 C HETATM 162 C4' 0DT A 6 -1.265 -10.437 3.619 1.00 0.00 C HETATM 163 O4' 0DT A 6 -1.903 -11.728 3.503 1.00 0.00 O HETATM 164 C3' 0DT A 6 -2.339 -9.517 4.190 1.00 0.00 C HETATM 165 O3' 0DT A 6 -2.349 -9.594 5.622 1.00 0.00 O HETATM 166 C2' 0DT A 6 -3.621 -10.086 3.608 1.00 0.00 C HETATM 167 C1' 0DT A 6 -3.315 -11.568 3.415 1.00 0.00 C HETATM 168 N1 0DT A 6 -3.754 -12.114 2.113 1.00 0.00 N HETATM 169 C2 0DT A 6 -4.743 -13.074 2.112 1.00 0.00 C HETATM 170 O2 0DT A 6 -5.262 -13.494 3.131 1.00 0.00 O HETATM 171 N3 0DT A 6 -5.104 -13.524 0.871 1.00 0.00 N HETATM 172 C4 0DT A 6 -4.591 -13.124 -0.344 1.00 0.00 C HETATM 173 O4 0DT A 6 -5.022 -13.619 -1.380 1.00 0.00 O HETATM 174 C5 0DT A 6 -3.557 -12.116 -0.274 1.00 0.00 C HETATM 175 C5M 0DT A 6 -2.962 -11.598 -1.547 1.00 0.00 C HETATM 176 C6 0DT A 6 -3.188 -11.667 0.933 1.00 0.00 C HETATM 0 H5'' 0DT A 6 0.230 -9.511 2.394 1.00 0.00 H new HETATM 0 H2'' 0DT A 6 -4.465 -9.937 4.281 1.00 0.00 H new HETATM 0 H73 0DT A 6 -2.505 -12.421 -2.096 1.00 0.00 H new HETATM 0 H72 0DT A 6 -3.744 -11.145 -2.156 1.00 0.00 H new HETATM 0 H71 0DT A 6 -2.203 -10.850 -1.316 1.00 0.00 H new HETATM 0 H6 0DT A 6 -2.403 -10.912 0.988 1.00 0.00 H new HETATM 0 H5' 0DT A 6 -1.401 -9.364 1.769 1.00 0.00 H new HETATM 0 H4' 0DT A 6 -0.401 -10.403 4.283 1.00 0.00 H new HETATM 0 H3' 0DT A 6 -2.189 -8.466 3.945 1.00 0.00 H new HETATM 0 H3 0DT A 6 -5.835 -14.235 0.842 1.00 0.00 H new HETATM 0 H2' 0DT A 6 -3.878 -9.606 2.664 1.00 0.00 H new HETATM 0 H1' 0DT A 6 -3.864 -12.112 4.184 1.00 0.00 H new ATOM 189 P DC A 7 -3.109 -8.465 6.482 1.00 0.00 P ATOM 190 OP1 DC A 7 -3.675 -9.135 7.682 1.00 0.00 O ATOM 191 OP2 DC A 7 -4.009 -7.707 5.575 1.00 0.00 O ATOM 192 O5' DC A 7 -1.944 -7.486 6.957 1.00 0.00 O ATOM 193 C5' DC A 7 -1.170 -7.771 8.125 1.00 0.00 C ATOM 194 C4' DC A 7 -0.599 -6.496 8.701 1.00 0.00 C ATOM 195 O4' DC A 7 0.420 -5.986 7.810 1.00 0.00 O ATOM 196 C3' DC A 7 -1.593 -5.351 8.871 1.00 0.00 C ATOM 197 O3' DC A 7 -1.192 -4.502 9.952 1.00 0.00 O ATOM 198 C2' DC A 7 -1.499 -4.619 7.544 1.00 0.00 C ATOM 199 C1' DC A 7 -0.042 -4.819 7.139 1.00 0.00 C ATOM 200 N1 DC A 7 0.173 -5.023 5.697 1.00 0.00 N ATOM 201 C2 DC A 7 1.284 -4.430 5.088 1.00 0.00 C ATOM 202 O2 DC A 7 2.046 -3.737 5.776 1.00 0.00 O ATOM 203 N3 DC A 7 1.498 -4.628 3.768 1.00 0.00 N ATOM 204 C4 DC A 7 0.655 -5.383 3.061 1.00 0.00 C ATOM 205 N4 DC A 7 0.908 -5.549 1.760 1.00 0.00 N ATOM 206 C5 DC A 7 -0.485 -5.999 3.655 1.00 0.00 C ATOM 207 C6 DC A 7 -0.689 -5.785 4.963 1.00 0.00 C ATOM 0 H5' DC A 7 -0.362 -8.459 7.875 1.00 0.00 H new ATOM 0 H5'' DC A 7 -1.792 -8.267 8.870 1.00 0.00 H new ATOM 0 H4' DC A 7 -0.237 -6.785 9.688 1.00 0.00 H new ATOM 0 H3' DC A 7 -2.605 -5.682 9.106 1.00 0.00 H new ATOM 0 H2' DC A 7 -2.183 -5.036 6.805 1.00 0.00 H new ATOM 0 H2'' DC A 7 -1.747 -3.563 7.648 1.00 0.00 H new ATOM 0 H1' DC A 7 0.492 -3.907 7.406 1.00 0.00 H new ATOM 0 H41 DC A 7 0.285 -6.120 1.188 1.00 0.00 H new ATOM 0 H42 DC A 7 1.724 -5.105 1.338 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.158 -6.613 3.075 1.00 0.00 H new ATOM 0 H6 DC A 7 -1.551 -6.223 5.444 1.00 0.00 H new ATOM 219 P DG A 8 -2.255 -3.491 10.612 1.00 0.00 P ATOM 220 OP1 DG A 8 -1.573 -2.757 11.709 1.00 0.00 O ATOM 221 OP2 DG A 8 -3.486 -4.267 10.905 1.00 0.00 O ATOM 222 O5' DG A 8 -2.584 -2.461 9.440 1.00 0.00 O ATOM 223 C5' DG A 8 -1.931 -1.192 9.364 1.00 0.00 C ATOM 224 C4' DG A 8 -0.516 -1.359 8.859 1.00 0.00 C ATOM 225 O4' DG A 8 -0.551 -1.987 7.555 1.00 0.00 O ATOM 226 C3' DG A 8 0.254 -0.056 8.662 1.00 0.00 C ATOM 227 O3' DG A 8 1.656 -0.267 8.868 1.00 0.00 O ATOM 228 C2' DG A 8 -0.030 0.291 7.214 1.00 0.00 C ATOM 229 C1' DG A 8 -0.127 -1.074 6.552 1.00 0.00 C ATOM 230 N9 DG A 8 -1.085 -1.144 5.454 1.00 0.00 N ATOM 231 C8 DG A 8 -2.425 -0.851 5.510 1.00 0.00 C ATOM 232 N7 DG A 8 -3.033 -0.999 4.364 1.00 0.00 N ATOM 233 C5 DG A 8 -2.031 -1.418 3.498 1.00 0.00 C ATOM 234 C6 DG A 8 -2.085 -1.741 2.119 1.00 0.00 C ATOM 235 O6 DG A 8 -3.062 -1.719 1.362 1.00 0.00 O ATOM 236 N1 DG A 8 -0.839 -2.121 1.632 1.00 0.00 N ATOM 237 C2 DG A 8 0.310 -2.185 2.378 1.00 0.00 C ATOM 238 N2 DG A 8 1.413 -2.575 1.731 1.00 0.00 N ATOM 239 N3 DG A 8 0.376 -1.888 3.664 1.00 0.00 N ATOM 240 C4 DG A 8 -0.824 -1.515 4.157 1.00 0.00 C ATOM 0 H5' DG A 8 -1.920 -0.722 10.347 1.00 0.00 H new ATOM 0 H5'' DG A 8 -2.486 -0.529 8.700 1.00 0.00 H new ATOM 0 H4' DG A 8 -0.012 -1.945 9.628 1.00 0.00 H new ATOM 0 H3' DG A 8 -0.038 0.731 9.357 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.955 0.858 7.108 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.766 0.895 6.779 1.00 0.00 H new ATOM 0 H1' DG A 8 0.850 -1.301 6.126 1.00 0.00 H new ATOM 0 H8 DG A 8 -2.926 -0.530 6.411 1.00 0.00 H new ATOM 0 H1 DG A 8 -0.775 -2.371 0.645 1.00 0.00 H new ATOM 0 H21 DG A 8 2.300 -2.643 2.230 1.00 0.00 H new ATOM 0 H22 DG A 8 1.368 -2.805 0.738 1.00 0.00 H new ATOM 252 P DA A 9 2.619 0.986 9.166 1.00 0.00 P ATOM 253 OP1 DA A 9 3.559 0.600 10.250 1.00 0.00 O ATOM 254 OP2 DA A 9 1.762 2.188 9.333 1.00 0.00 O ATOM 255 O5' DA A 9 3.448 1.170 7.817 1.00 0.00 O ATOM 256 C5' DA A 9 4.831 0.817 7.746 1.00 0.00 C ATOM 257 C4' DA A 9 5.349 0.994 6.336 1.00 0.00 C ATOM 258 O4' DA A 9 4.268 0.756 5.401 1.00 0.00 O ATOM 259 C3' DA A 9 5.892 2.390 6.016 1.00 0.00 C ATOM 260 O3' DA A 9 7.121 2.282 5.287 1.00 0.00 O ATOM 261 C2' DA A 9 4.806 3.016 5.159 1.00 0.00 C ATOM 262 C1' DA A 9 4.197 1.816 4.467 1.00 0.00 C ATOM 263 N9 DA A 9 2.796 1.983 4.079 1.00 0.00 N ATOM 264 C8 DA A 9 1.735 2.305 4.887 1.00 0.00 C ATOM 265 N7 DA A 9 0.592 2.389 4.251 1.00 0.00 N ATOM 266 C5 DA A 9 0.922 2.101 2.934 1.00 0.00 C ATOM 267 C6 DA A 9 0.151 2.027 1.761 1.00 0.00 C ATOM 268 N6 DA A 9 -1.164 2.245 1.726 1.00 0.00 N ATOM 269 N1 DA A 9 0.786 1.716 0.610 1.00 0.00 N ATOM 270 C2 DA A 9 2.107 1.496 0.647 1.00 0.00 C ATOM 271 N3 DA A 9 2.939 1.537 1.685 1.00 0.00 N ATOM 272 C4 DA A 9 2.276 1.849 2.813 1.00 0.00 C ATOM 0 H5' DA A 9 4.965 -0.217 8.062 1.00 0.00 H new ATOM 0 H5'' DA A 9 5.407 1.438 8.432 1.00 0.00 H new ATOM 0 H4' DA A 9 6.173 0.286 6.248 1.00 0.00 H new ATOM 0 H3' DA A 9 6.110 2.981 6.905 1.00 0.00 H new ATOM 0 H2' DA A 9 4.073 3.551 5.762 1.00 0.00 H new ATOM 0 H2'' DA A 9 5.215 3.731 4.445 1.00 0.00 H new ATOM 0 H1' DA A 9 4.745 1.645 3.541 1.00 0.00 H new ATOM 0 H8 DA A 9 1.833 2.474 5.949 1.00 0.00 H new ATOM 0 H61 DA A 9 -1.669 2.176 0.842 1.00 0.00 H new ATOM 0 H62 DA A 9 -1.665 2.480 2.583 1.00 0.00 H new ATOM 0 H2 DA A 9 2.562 1.250 -0.301 1.00 0.00 H new ATOM 284 P DT A 10 7.959 3.606 4.923 1.00 0.00 P ATOM 285 OP1 DT A 10 9.404 3.289 5.053 1.00 0.00 O ATOM 286 OP2 DT A 10 7.386 4.742 5.693 1.00 0.00 O ATOM 287 O5' DT A 10 7.640 3.848 3.380 1.00 0.00 O ATOM 288 C5' DT A 10 7.591 2.755 2.460 1.00 0.00 C ATOM 289 C4' DT A 10 7.316 3.256 1.060 1.00 0.00 C ATOM 290 O4' DT A 10 5.883 3.335 0.865 1.00 0.00 O ATOM 291 C3' DT A 10 7.862 4.651 0.745 1.00 0.00 C ATOM 292 O3' DT A 10 8.393 4.682 -0.585 1.00 0.00 O ATOM 293 C2' DT A 10 6.639 5.544 0.850 1.00 0.00 C ATOM 294 C1' DT A 10 5.540 4.618 0.373 1.00 0.00 C ATOM 295 N1 DT A 10 4.186 4.946 0.862 1.00 0.00 N ATOM 296 C2 DT A 10 3.171 5.046 -0.061 1.00 0.00 C ATOM 297 O2 DT A 10 3.339 4.885 -1.257 1.00 0.00 O ATOM 298 N3 DT A 10 1.944 5.344 0.470 1.00 0.00 N ATOM 299 C4 DT A 10 1.638 5.554 1.796 1.00 0.00 C ATOM 300 O4 DT A 10 0.485 5.825 2.120 1.00 0.00 O ATOM 301 C5 DT A 10 2.751 5.439 2.713 1.00 0.00 C ATOM 302 C7 DT A 10 2.515 5.666 4.173 1.00 0.00 C ATOM 303 C6 DT A 10 3.958 5.142 2.209 1.00 0.00 C ATOM 0 H5' DT A 10 6.814 2.053 2.761 1.00 0.00 H new ATOM 0 H5'' DT A 10 8.536 2.212 2.480 1.00 0.00 H new ATOM 0 H4' DT A 10 7.821 2.546 0.405 1.00 0.00 H new ATOM 0 H3' DT A 10 8.669 4.958 1.411 1.00 0.00 H new ATOM 0 H2' DT A 10 6.470 5.888 1.870 1.00 0.00 H new ATOM 0 H2'' DT A 10 6.726 6.432 0.224 1.00 0.00 H new ATOM 0 H1' DT A 10 5.484 4.697 -0.713 1.00 0.00 H new ATOM 0 H3 DT A 10 1.171 5.419 -0.191 1.00 0.00 H new ATOM 0 H71 DT A 10 3.216 5.066 4.753 1.00 0.00 H new ATOM 0 H72 DT A 10 2.662 6.721 4.406 1.00 0.00 H new ATOM 0 H73 DT A 10 1.495 5.377 4.426 1.00 0.00 H new ATOM 0 H6 DT A 10 4.791 5.052 2.890 1.00 0.00 H new ATOM 316 P DA A 11 9.753 5.487 -0.887 1.00 0.00 P ATOM 317 OP1 DA A 11 10.801 4.481 -1.190 1.00 0.00 O ATOM 318 OP2 DA A 11 9.977 6.475 0.200 1.00 0.00 O ATOM 319 O5' DA A 11 9.440 6.289 -2.229 1.00 0.00 O ATOM 320 C5' DA A 11 8.332 7.187 -2.308 1.00 0.00 C ATOM 321 C4' DA A 11 7.867 7.320 -3.740 1.00 0.00 C ATOM 322 O4' DA A 11 6.451 7.046 -3.800 1.00 0.00 O ATOM 323 C3' DA A 11 8.022 8.709 -4.348 1.00 0.00 C ATOM 324 O3' DA A 11 8.104 8.636 -5.774 1.00 0.00 O ATOM 325 C2' DA A 11 6.740 9.403 -3.929 1.00 0.00 C ATOM 326 C1' DA A 11 5.722 8.268 -3.852 1.00 0.00 C ATOM 327 N9 DA A 11 4.860 8.321 -2.672 1.00 0.00 N ATOM 328 C8 DA A 11 5.247 8.392 -1.356 1.00 0.00 C ATOM 329 N7 DA A 11 4.245 8.430 -0.512 1.00 0.00 N ATOM 330 C5 DA A 11 3.122 8.381 -1.326 1.00 0.00 C ATOM 331 C6 DA A 11 1.746 8.390 -1.041 1.00 0.00 C ATOM 332 N6 DA A 11 1.247 8.453 0.195 1.00 0.00 N ATOM 333 N1 DA A 11 0.887 8.331 -2.082 1.00 0.00 N ATOM 334 C2 DA A 11 1.390 8.268 -3.322 1.00 0.00 C ATOM 335 N3 DA A 11 2.661 8.253 -3.717 1.00 0.00 N ATOM 336 C4 DA A 11 3.486 8.312 -2.658 1.00 0.00 C ATOM 0 H5' DA A 11 8.618 8.164 -1.919 1.00 0.00 H new ATOM 0 H5'' DA A 11 7.515 6.823 -1.685 1.00 0.00 H new ATOM 0 H4' DA A 11 8.495 6.624 -4.297 1.00 0.00 H new ATOM 0 H3' DA A 11 8.926 9.222 -4.021 1.00 0.00 H new ATOM 0 H2' DA A 11 6.852 9.906 -2.968 1.00 0.00 H new ATOM 0 H2'' DA A 11 6.440 10.161 -4.652 1.00 0.00 H new ATOM 0 HO3' DA A 11 8.201 9.539 -6.143 1.00 0.00 H new ATOM 0 H1' DA A 11 5.074 8.354 -4.724 1.00 0.00 H new ATOM 0 H8 DA A 11 6.281 8.414 -1.045 1.00 0.00 H new ATOM 0 H61 DA A 11 0.237 8.456 0.338 1.00 0.00 H new ATOM 0 H62 DA A 11 1.876 8.498 0.997 1.00 0.00 H new ATOM 0 H2 DA A 11 0.659 8.223 -4.116 1.00 0.00 H new TER 349 DA A 11