USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 172 hydrogens (11 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 Set 1.1: A 12 DT C7 :methyl 150:sc= -0.253 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -0.646 (180deg=-3.57!) USER MOD Single : A 1 DG O5' : rot 37:sc= 1.38 USER MOD Single : A 4 DT C7 :methyl -30:sc= -2.85! (180deg=-5.2!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.833 2.442 2.658 1.00 0.00 O ATOM 2 C5' DG A 1 7.736 3.136 3.511 1.00 0.00 C ATOM 3 C4' DG A 1 7.463 2.867 4.999 1.00 0.00 C ATOM 4 O4' DG A 1 6.105 3.201 5.256 1.00 0.00 O ATOM 5 C3' DG A 1 7.663 1.399 5.409 1.00 0.00 C ATOM 6 O3' DG A 1 8.185 1.342 6.730 1.00 0.00 O ATOM 7 C2' DG A 1 6.240 0.865 5.357 1.00 0.00 C ATOM 8 C1' DG A 1 5.463 2.080 5.835 1.00 0.00 C ATOM 9 N9 DG A 1 4.033 1.988 5.480 1.00 0.00 N ATOM 10 C8 DG A 1 3.016 1.623 6.314 1.00 0.00 C ATOM 11 N7 DG A 1 1.827 1.727 5.788 1.00 0.00 N ATOM 12 C5 DG A 1 2.085 2.091 4.465 1.00 0.00 C ATOM 13 C6 DG A 1 1.193 2.273 3.356 1.00 0.00 C ATOM 14 O6 DG A 1 -0.035 2.221 3.359 1.00 0.00 O ATOM 15 N1 DG A 1 1.844 2.524 2.157 1.00 0.00 N ATOM 16 C2 DG A 1 3.207 2.615 2.056 1.00 0.00 C ATOM 17 N2 DG A 1 3.742 2.801 0.877 1.00 0.00 N ATOM 18 N3 DG A 1 4.066 2.493 3.071 1.00 0.00 N ATOM 19 C4 DG A 1 3.442 2.217 4.256 1.00 0.00 C ATOM 0 H5' DG A 1 7.662 4.206 3.319 1.00 0.00 H new ATOM 0 H5'' DG A 1 8.757 2.839 3.273 1.00 0.00 H new ATOM 0 H4' DG A 1 8.173 3.465 5.570 1.00 0.00 H new ATOM 0 H3' DG A 1 8.358 0.838 4.784 1.00 0.00 H new ATOM 0 H2' DG A 1 5.950 0.558 4.352 1.00 0.00 H new ATOM 0 H2'' DG A 1 6.098 0.002 6.007 1.00 0.00 H new ATOM 0 HO5' DG A 1 5.944 2.420 3.071 1.00 0.00 H new ATOM 0 H1' DG A 1 5.467 2.159 6.922 1.00 0.00 H new ATOM 0 H8 DG A 1 3.182 1.277 7.324 1.00 0.00 H new ATOM 0 H1 DG A 1 1.283 2.646 1.314 1.00 0.00 H new ATOM 0 H21 DG A 1 4.755 2.871 0.782 1.00 0.00 H new ATOM 0 H22 DG A 1 3.146 2.876 0.053 1.00 0.00 H new ATOM 32 P DG A 2 8.791 -0.010 7.374 1.00 0.00 P ATOM 33 OP1 DG A 2 9.491 0.326 8.625 1.00 0.00 O ATOM 34 OP2 DG A 2 9.511 -0.759 6.320 1.00 0.00 O ATOM 35 O5' DG A 2 7.511 -0.904 7.755 1.00 0.00 O ATOM 36 C5' DG A 2 6.721 -0.616 8.900 1.00 0.00 C ATOM 37 C4' DG A 2 5.416 -1.427 8.918 1.00 0.00 C ATOM 38 O4' DG A 2 4.570 -0.987 7.866 1.00 0.00 O ATOM 39 C3' DG A 2 5.634 -2.937 8.754 1.00 0.00 C ATOM 40 O3' DG A 2 5.086 -3.656 9.847 1.00 0.00 O ATOM 41 C2' DG A 2 4.873 -3.300 7.484 1.00 0.00 C ATOM 42 C1' DG A 2 3.928 -2.110 7.299 1.00 0.00 C ATOM 43 N9 DG A 2 3.545 -1.830 5.906 1.00 0.00 N ATOM 44 C8 DG A 2 4.339 -1.821 4.799 1.00 0.00 C ATOM 45 N7 DG A 2 3.732 -1.529 3.683 1.00 0.00 N ATOM 46 C5 DG A 2 2.408 -1.351 4.090 1.00 0.00 C ATOM 47 C6 DG A 2 1.236 -1.042 3.329 1.00 0.00 C ATOM 48 O6 DG A 2 1.146 -0.860 2.118 1.00 0.00 O ATOM 49 N1 DG A 2 0.098 -0.946 4.109 1.00 0.00 N ATOM 50 C2 DG A 2 0.080 -1.119 5.461 1.00 0.00 C ATOM 51 N2 DG A 2 -1.085 -0.987 6.051 1.00 0.00 N ATOM 52 N3 DG A 2 1.146 -1.431 6.201 1.00 0.00 N ATOM 53 C4 DG A 2 2.287 -1.522 5.452 1.00 0.00 C ATOM 0 H5' DG A 2 6.487 0.448 8.920 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.295 -0.833 9.801 1.00 0.00 H new ATOM 0 H4' DG A 2 4.966 -1.260 9.897 1.00 0.00 H new ATOM 0 H3' DG A 2 6.695 -3.184 8.708 1.00 0.00 H new ATOM 0 H2' DG A 2 5.543 -3.420 6.632 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.326 -4.237 7.594 1.00 0.00 H new ATOM 0 H1' DG A 2 2.986 -2.351 7.791 1.00 0.00 H new ATOM 0 H8 DG A 2 5.396 -2.040 4.843 1.00 0.00 H new ATOM 0 H1 DG A 2 -0.784 -0.732 3.643 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.161 -1.105 7.061 1.00 0.00 H new ATOM 0 H22 DG A 2 -1.914 -0.766 5.499 1.00 0.00 H new HETATM 65 P TAF A 3 5.809 -4.989 10.376 1.00 0.00 P HETATM 66 OP1 TAF A 3 4.905 -5.601 11.377 1.00 0.00 O HETATM 67 OP2 TAF A 3 7.204 -4.663 10.720 1.00 0.00 O HETATM 68 O5' TAF A 3 5.792 -5.918 9.070 1.00 0.00 O HETATM 69 N1 TAF A 3 3.553 -8.908 6.019 1.00 0.00 N HETATM 70 C6 TAF A 3 2.539 -8.090 6.485 1.00 0.00 C HETATM 71 C2 TAF A 3 3.257 -10.079 5.310 1.00 0.00 C HETATM 72 O2 TAF A 3 4.112 -10.834 4.863 1.00 0.00 O HETATM 73 N3 TAF A 3 1.925 -10.368 5.111 1.00 0.00 N HETATM 74 C4 TAF A 3 0.861 -9.598 5.525 1.00 0.00 C HETATM 75 O4 TAF A 3 -0.272 -9.976 5.257 1.00 0.00 O HETATM 76 C5 TAF A 3 1.229 -8.388 6.257 1.00 0.00 C HETATM 77 C5M TAF A 3 0.133 -7.452 6.739 1.00 0.00 C HETATM 78 F2' TAF A 3 4.505 -6.340 5.305 1.00 0.00 F HETATM 79 C2' TAF A 3 5.469 -7.316 5.435 1.00 0.00 C HETATM 80 C5' TAF A 3 6.794 -6.904 8.856 1.00 0.00 C HETATM 81 C4' TAF A 3 6.575 -7.660 7.541 1.00 0.00 C HETATM 82 O4' TAF A 3 5.318 -8.323 7.554 1.00 0.00 O HETATM 83 C1' TAF A 3 4.994 -8.557 6.199 1.00 0.00 C HETATM 84 C3' TAF A 3 6.582 -6.743 6.312 1.00 0.00 C HETATM 85 O3' TAF A 3 7.845 -6.720 5.637 1.00 0.00 O HETATM 0 H5'' TAF A 3 7.775 -6.429 8.843 1.00 0.00 H new HETATM 0 H73 TAF A 3 0.191 -7.351 7.823 1.00 0.00 H new HETATM 0 H72 TAF A 3 0.261 -6.473 6.276 1.00 0.00 H new HETATM 0 H71 TAF A 3 -0.840 -7.859 6.464 1.00 0.00 H new HETATM 0 H6 TAF A 3 2.793 -7.190 7.045 1.00 0.00 H new HETATM 0 H5' TAF A 3 6.793 -7.610 9.686 1.00 0.00 H new HETATM 0 H4' TAF A 3 7.405 -8.363 7.467 1.00 0.00 H new HETATM 0 H3' TAF A 3 6.419 -5.699 6.578 1.00 0.00 H new HETATM 0 H3 TAF A 3 1.707 -11.230 4.612 1.00 0.00 H new HETATM 0 H2' TAF A 3 5.760 -7.599 4.423 1.00 0.00 H new HETATM 0 H1' TAF A 3 5.498 -9.435 5.796 1.00 0.00 H new ATOM 97 P DT A 4 8.295 -5.450 4.735 1.00 0.00 P ATOM 98 OP1 DT A 4 9.645 -5.706 4.191 1.00 0.00 O ATOM 99 OP2 DT A 4 8.083 -4.236 5.563 1.00 0.00 O ATOM 100 O5' DT A 4 7.249 -5.401 3.507 1.00 0.00 O ATOM 101 C5' DT A 4 7.343 -6.298 2.413 1.00 0.00 C ATOM 102 C4' DT A 4 6.460 -5.879 1.236 1.00 0.00 C ATOM 103 O4' DT A 4 5.076 -6.040 1.483 1.00 0.00 O ATOM 104 C3' DT A 4 6.691 -4.416 0.818 1.00 0.00 C ATOM 105 O3' DT A 4 6.823 -4.260 -0.582 1.00 0.00 O ATOM 106 C2' DT A 4 5.377 -3.786 1.229 1.00 0.00 C ATOM 107 C1' DT A 4 4.439 -4.929 0.883 1.00 0.00 C ATOM 108 N1 DT A 4 3.097 -4.699 1.433 1.00 0.00 N ATOM 109 C2 DT A 4 2.035 -4.385 0.584 1.00 0.00 C ATOM 110 O2 DT A 4 2.157 -4.254 -0.631 1.00 0.00 O ATOM 111 N3 DT A 4 0.805 -4.236 1.193 1.00 0.00 N ATOM 112 C4 DT A 4 0.557 -4.330 2.544 1.00 0.00 C ATOM 113 O4 DT A 4 -0.594 -4.169 2.935 1.00 0.00 O ATOM 114 C5 DT A 4 1.725 -4.634 3.365 1.00 0.00 C ATOM 115 C7 DT A 4 1.557 -4.811 4.856 1.00 0.00 C ATOM 116 C6 DT A 4 2.944 -4.802 2.783 1.00 0.00 C ATOM 0 H5' DT A 4 7.056 -7.297 2.741 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.380 -6.356 2.083 1.00 0.00 H new ATOM 0 H4' DT A 4 6.760 -6.552 0.433 1.00 0.00 H new ATOM 0 H3' DT A 4 7.598 -4.000 1.256 1.00 0.00 H new ATOM 0 H2' DT A 4 5.349 -3.525 2.287 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.155 -2.877 0.671 1.00 0.00 H new ATOM 0 H1' DT A 4 4.278 -5.058 -0.187 1.00 0.00 H new ATOM 0 H3 DT A 4 0.008 -4.038 0.588 1.00 0.00 H new ATOM 0 H71 DT A 4 0.726 -4.197 5.204 1.00 0.00 H new ATOM 0 H72 DT A 4 1.352 -5.858 5.077 1.00 0.00 H new ATOM 0 H73 DT A 4 2.472 -4.505 5.364 1.00 0.00 H new ATOM 0 H6 DT A 4 3.803 -5.020 3.401 1.00 0.00 H new ATOM 129 P DG A 5 8.174 -4.656 -1.336 1.00 0.00 P ATOM 130 OP1 DG A 5 8.141 -6.104 -1.604 1.00 0.00 O ATOM 131 OP2 DG A 5 9.308 -4.040 -0.603 1.00 0.00 O ATOM 132 O5' DG A 5 7.949 -3.860 -2.707 1.00 0.00 O ATOM 133 C5' DG A 5 8.092 -2.453 -2.742 1.00 0.00 C ATOM 134 C4' DG A 5 7.552 -1.922 -4.065 1.00 0.00 C ATOM 135 O4' DG A 5 6.136 -2.140 -4.115 1.00 0.00 O ATOM 136 C3' DG A 5 7.805 -0.414 -4.183 1.00 0.00 C ATOM 137 O3' DG A 5 8.108 -0.127 -5.540 1.00 0.00 O ATOM 138 C2' DG A 5 6.463 0.152 -3.741 1.00 0.00 C ATOM 139 C1' DG A 5 5.533 -0.880 -4.375 1.00 0.00 C ATOM 140 N9 DG A 5 4.114 -0.828 -3.937 1.00 0.00 N ATOM 141 C8 DG A 5 3.017 -0.827 -4.765 1.00 0.00 C ATOM 142 N7 DG A 5 1.870 -0.865 -4.148 1.00 0.00 N ATOM 143 C5 DG A 5 2.226 -0.839 -2.800 1.00 0.00 C ATOM 144 C6 DG A 5 1.402 -0.824 -1.628 1.00 0.00 C ATOM 145 O6 DG A 5 0.180 -0.838 -1.558 1.00 0.00 O ATOM 146 N1 DG A 5 2.117 -0.758 -0.451 1.00 0.00 N ATOM 147 C2 DG A 5 3.473 -0.692 -0.398 1.00 0.00 C ATOM 148 N2 DG A 5 4.013 -0.596 0.795 1.00 0.00 N ATOM 149 N3 DG A 5 4.277 -0.727 -1.465 1.00 0.00 N ATOM 150 C4 DG A 5 3.597 -0.794 -2.652 1.00 0.00 C ATOM 0 H5' DG A 5 9.141 -2.180 -2.629 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.554 -2.001 -1.909 1.00 0.00 H new ATOM 0 H4' DG A 5 8.057 -2.442 -4.879 1.00 0.00 H new ATOM 0 H3' DG A 5 8.631 -0.008 -3.599 1.00 0.00 H new ATOM 0 H2' DG A 5 6.363 0.195 -2.656 1.00 0.00 H new ATOM 0 H2'' DG A 5 6.289 1.160 -4.118 1.00 0.00 H new ATOM 0 H1' DG A 5 5.439 -0.670 -5.440 1.00 0.00 H new ATOM 0 H8 DG A 5 3.099 -0.797 -5.841 1.00 0.00 H new ATOM 0 H1 DG A 5 1.600 -0.759 0.428 1.00 0.00 H new ATOM 0 H21 DG A 5 5.027 -0.543 0.893 1.00 0.00 H new ATOM 0 H22 DG A 5 3.419 -0.574 1.624 1.00 0.00 H new ATOM 162 P DG A 6 8.559 1.344 -6.035 1.00 0.00 P ATOM 163 OP1 DG A 6 9.246 1.201 -7.334 1.00 0.00 O ATOM 164 OP2 DG A 6 9.224 2.018 -4.900 1.00 0.00 O ATOM 165 O5' DG A 6 7.132 2.048 -6.282 1.00 0.00 O ATOM 166 C5' DG A 6 6.251 1.581 -7.288 1.00 0.00 C ATOM 167 C4' DG A 6 4.833 2.123 -7.074 1.00 0.00 C ATOM 168 O4' DG A 6 4.324 1.781 -5.798 1.00 0.00 O ATOM 169 C3' DG A 6 4.725 3.647 -7.200 1.00 0.00 C ATOM 170 O3' DG A 6 4.082 3.946 -8.428 1.00 0.00 O ATOM 171 C2' DG A 6 3.864 4.063 -6.005 1.00 0.00 C ATOM 172 C1' DG A 6 3.320 2.725 -5.512 1.00 0.00 C ATOM 173 N9 DG A 6 2.929 2.718 -4.087 1.00 0.00 N ATOM 174 C8 DG A 6 3.685 2.872 -2.950 1.00 0.00 C ATOM 175 N7 DG A 6 2.997 2.806 -1.844 1.00 0.00 N ATOM 176 C5 DG A 6 1.685 2.631 -2.275 1.00 0.00 C ATOM 177 C6 DG A 6 0.464 2.536 -1.533 1.00 0.00 C ATOM 178 O6 DG A 6 0.325 2.569 -0.310 1.00 0.00 O ATOM 179 N1 DG A 6 -0.652 2.416 -2.351 1.00 0.00 N ATOM 180 C2 DG A 6 -0.594 2.400 -3.720 1.00 0.00 C ATOM 181 N2 DG A 6 -1.698 2.335 -4.421 1.00 0.00 N ATOM 182 N3 DG A 6 0.529 2.468 -4.431 1.00 0.00 N ATOM 183 C4 DG A 6 1.637 2.589 -3.648 1.00 0.00 C ATOM 0 H5' DG A 6 6.232 0.491 -7.282 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.617 1.888 -8.268 1.00 0.00 H new ATOM 0 H4' DG A 6 4.253 1.656 -7.870 1.00 0.00 H new ATOM 0 H3' DG A 6 5.684 4.166 -7.197 1.00 0.00 H new ATOM 0 H2' DG A 6 4.450 4.570 -5.239 1.00 0.00 H new ATOM 0 H2'' DG A 6 3.065 4.744 -6.298 1.00 0.00 H new ATOM 0 H1' DG A 6 2.385 2.491 -6.021 1.00 0.00 H new ATOM 0 H8 DG A 6 4.753 3.033 -2.970 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.567 2.335 -1.907 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.655 2.323 -5.440 1.00 0.00 H new ATOM 0 H22 DG A 6 -2.601 2.296 -3.948 1.00 0.00 H new ATOM 195 P DT A 7 4.084 5.422 -9.066 1.00 0.00 P ATOM 196 OP1 DT A 7 3.964 5.311 -10.529 1.00 0.00 O ATOM 197 OP2 DT A 7 5.180 6.211 -8.457 1.00 0.00 O ATOM 198 O5' DT A 7 2.766 6.141 -8.461 1.00 0.00 O ATOM 199 C5' DT A 7 1.679 6.595 -9.265 1.00 0.00 C ATOM 200 C4' DT A 7 0.457 5.665 -9.279 1.00 0.00 C ATOM 201 O4' DT A 7 0.641 4.553 -10.142 1.00 0.00 O ATOM 202 C3' DT A 7 0.079 5.108 -7.892 1.00 0.00 C ATOM 203 O3' DT A 7 -1.312 5.222 -7.660 1.00 0.00 O ATOM 204 C2' DT A 7 0.411 3.634 -8.048 1.00 0.00 C ATOM 205 C1' DT A 7 0.037 3.442 -9.512 1.00 0.00 C ATOM 206 N1 DT A 7 0.546 2.170 -10.073 1.00 0.00 N ATOM 207 C2 DT A 7 -0.371 1.229 -10.550 1.00 0.00 C ATOM 208 O2 DT A 7 -1.586 1.388 -10.534 1.00 0.00 O ATOM 209 N3 DT A 7 0.154 0.058 -11.052 1.00 0.00 N ATOM 210 C4 DT A 7 1.495 -0.258 -11.129 1.00 0.00 C ATOM 211 O4 DT A 7 1.811 -1.352 -11.582 1.00 0.00 O ATOM 212 C5 DT A 7 2.399 0.780 -10.633 1.00 0.00 C ATOM 213 C7 DT A 7 3.904 0.581 -10.678 1.00 0.00 C ATOM 214 C6 DT A 7 1.899 1.933 -10.116 1.00 0.00 C ATOM 0 H5' DT A 7 2.031 6.724 -10.288 1.00 0.00 H new ATOM 0 H5'' DT A 7 1.367 7.577 -8.909 1.00 0.00 H new ATOM 0 H4' DT A 7 -0.350 6.305 -9.636 1.00 0.00 H new ATOM 0 H3' DT A 7 0.585 5.623 -7.075 1.00 0.00 H new ATOM 0 H2' DT A 7 1.462 3.419 -7.853 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.173 3.001 -7.380 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.042 3.386 -9.657 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.508 -0.637 -11.397 1.00 0.00 H new ATOM 0 H71 DT A 7 4.396 1.547 -10.791 1.00 0.00 H new ATOM 0 H72 DT A 7 4.237 0.110 -9.753 1.00 0.00 H new ATOM 0 H73 DT A 7 4.161 -0.058 -11.523 1.00 0.00 H new ATOM 0 H6 DT A 7 2.579 2.679 -9.731 1.00 0.00 H new ATOM 227 P DG A 8 -1.985 6.633 -7.271 1.00 0.00 P ATOM 228 OP1 DG A 8 -3.360 6.632 -7.809 1.00 0.00 O ATOM 229 OP2 DG A 8 -1.035 7.706 -7.645 1.00 0.00 O ATOM 230 O5' DG A 8 -2.023 6.526 -5.666 1.00 0.00 O ATOM 231 C5' DG A 8 -3.063 5.820 -5.002 1.00 0.00 C ATOM 232 C4' DG A 8 -2.949 5.938 -3.477 1.00 0.00 C ATOM 233 O4' DG A 8 -1.823 5.205 -3.026 1.00 0.00 O ATOM 234 C3' DG A 8 -2.818 7.384 -2.982 1.00 0.00 C ATOM 235 O3' DG A 8 -3.938 7.780 -2.217 1.00 0.00 O ATOM 236 C2' DG A 8 -1.610 7.383 -2.058 1.00 0.00 C ATOM 237 C1' DG A 8 -1.071 5.954 -2.093 1.00 0.00 C ATOM 238 N9 DG A 8 0.346 5.960 -2.507 1.00 0.00 N ATOM 239 C8 DG A 8 0.869 6.043 -3.773 1.00 0.00 C ATOM 240 N7 DG A 8 2.175 6.100 -3.809 1.00 0.00 N ATOM 241 C5 DG A 8 2.543 6.058 -2.456 1.00 0.00 C ATOM 242 C6 DG A 8 3.829 6.081 -1.812 1.00 0.00 C ATOM 243 O6 DG A 8 4.951 6.128 -2.308 1.00 0.00 O ATOM 244 N1 DG A 8 3.758 6.044 -0.430 1.00 0.00 N ATOM 245 C2 DG A 8 2.586 5.991 0.268 1.00 0.00 C ATOM 246 N2 DG A 8 2.643 5.980 1.581 1.00 0.00 N ATOM 247 N3 DG A 8 1.379 5.965 -0.291 1.00 0.00 N ATOM 248 C4 DG A 8 1.423 5.991 -1.657 1.00 0.00 C ATOM 0 H5' DG A 8 -3.029 4.769 -5.289 1.00 0.00 H new ATOM 0 H5'' DG A 8 -4.029 6.208 -5.325 1.00 0.00 H new ATOM 0 H4' DG A 8 -3.877 5.537 -3.070 1.00 0.00 H new ATOM 0 H3' DG A 8 -2.732 8.064 -3.829 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.857 8.095 -2.396 1.00 0.00 H new ATOM 0 H2'' DG A 8 -1.890 7.672 -1.045 1.00 0.00 H new ATOM 0 H1' DG A 8 -1.152 5.511 -1.100 1.00 0.00 H new ATOM 0 H8 DG A 8 0.256 6.060 -4.662 1.00 0.00 H new ATOM 0 H1 DG A 8 4.631 6.057 0.097 1.00 0.00 H new ATOM 0 H21 DG A 8 1.783 5.941 2.128 1.00 0.00 H new ATOM 0 H22 DG A 8 3.547 6.011 2.052 1.00 0.00 H new ATOM 260 P DT A 9 -5.151 8.596 -2.882 1.00 0.00 P ATOM 261 OP1 DT A 9 -5.246 8.224 -4.308 1.00 0.00 O ATOM 262 OP2 DT A 9 -5.021 10.013 -2.483 1.00 0.00 O ATOM 263 O5' DT A 9 -6.395 7.954 -2.107 1.00 0.00 O ATOM 264 C5' DT A 9 -6.987 6.739 -2.533 1.00 0.00 C ATOM 265 C4' DT A 9 -8.022 6.278 -1.505 1.00 0.00 C ATOM 266 O4' DT A 9 -7.351 5.889 -0.316 1.00 0.00 O ATOM 267 C3' DT A 9 -9.005 7.391 -1.112 1.00 0.00 C ATOM 268 O3' DT A 9 -10.309 6.869 -0.934 1.00 0.00 O ATOM 269 C2' DT A 9 -8.486 7.844 0.243 1.00 0.00 C ATOM 270 C1' DT A 9 -7.976 6.516 0.785 1.00 0.00 C ATOM 271 N1 DT A 9 -7.049 6.709 1.926 1.00 0.00 N ATOM 272 C2 DT A 9 -7.609 6.922 3.194 1.00 0.00 C ATOM 273 O2 DT A 9 -8.816 6.804 3.456 1.00 0.00 O ATOM 274 N3 DT A 9 -6.715 7.213 4.206 1.00 0.00 N ATOM 275 C4 DT A 9 -5.338 7.128 4.116 1.00 0.00 C ATOM 276 O4 DT A 9 -4.686 7.293 5.139 1.00 0.00 O ATOM 277 C5 DT A 9 -4.822 6.827 2.782 1.00 0.00 C ATOM 278 C7 DT A 9 -3.327 6.667 2.547 1.00 0.00 C ATOM 279 C6 DT A 9 -5.680 6.654 1.742 1.00 0.00 C ATOM 0 H5' DT A 9 -6.220 5.975 -2.658 1.00 0.00 H new ATOM 0 H5'' DT A 9 -7.462 6.876 -3.504 1.00 0.00 H new ATOM 0 H4' DT A 9 -8.576 5.459 -1.964 1.00 0.00 H new ATOM 0 H3' DT A 9 -9.065 8.177 -1.865 1.00 0.00 H new ATOM 0 H2' DT A 9 -7.697 8.591 0.159 1.00 0.00 H new ATOM 0 H2'' DT A 9 -9.269 8.276 0.866 1.00 0.00 H new ATOM 0 H1' DT A 9 -8.782 5.902 1.187 1.00 0.00 H new ATOM 0 H3 DT A 9 -7.105 7.517 5.098 1.00 0.00 H new ATOM 0 H71 DT A 9 -3.160 5.968 1.727 1.00 0.00 H new ATOM 0 H72 DT A 9 -2.893 7.634 2.294 1.00 0.00 H new ATOM 0 H73 DT A 9 -2.855 6.284 3.452 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.285 6.470 0.754 1.00 0.00 H new ATOM 292 P DG A 10 -11.387 6.954 -2.123 1.00 0.00 P ATOM 293 OP1 DG A 10 -11.419 8.351 -2.601 1.00 0.00 O ATOM 294 OP2 DG A 10 -12.629 6.304 -1.654 1.00 0.00 O ATOM 295 O5' DG A 10 -10.721 6.039 -3.267 1.00 0.00 O ATOM 296 C5' DG A 10 -10.856 4.630 -3.265 1.00 0.00 C ATOM 297 C4' DG A 10 -10.077 4.041 -4.444 1.00 0.00 C ATOM 298 O4' DG A 10 -8.673 4.160 -4.222 1.00 0.00 O ATOM 299 C3' DG A 10 -10.362 2.543 -4.625 1.00 0.00 C ATOM 300 O3' DG A 10 -10.490 2.286 -6.018 1.00 0.00 O ATOM 301 C2' DG A 10 -9.105 1.920 -4.036 1.00 0.00 C ATOM 302 C1' DG A 10 -8.093 2.920 -4.574 1.00 0.00 C ATOM 303 N9 DG A 10 -6.718 2.747 -4.017 1.00 0.00 N ATOM 304 C8 DG A 10 -5.533 2.507 -4.690 1.00 0.00 C ATOM 305 N7 DG A 10 -4.478 2.517 -3.929 1.00 0.00 N ATOM 306 C5 DG A 10 -4.986 2.724 -2.652 1.00 0.00 C ATOM 307 C6 DG A 10 -4.307 2.804 -1.398 1.00 0.00 C ATOM 308 O6 DG A 10 -3.102 2.752 -1.184 1.00 0.00 O ATOM 309 N1 DG A 10 -5.153 2.941 -0.320 1.00 0.00 N ATOM 310 C2 DG A 10 -6.510 2.968 -0.427 1.00 0.00 C ATOM 311 N2 DG A 10 -7.212 2.998 0.683 1.00 0.00 N ATOM 312 N3 DG A 10 -7.174 2.925 -1.584 1.00 0.00 N ATOM 313 C4 DG A 10 -6.358 2.809 -2.679 1.00 0.00 C ATOM 0 H5' DG A 10 -11.908 4.355 -3.337 1.00 0.00 H new ATOM 0 H5'' DG A 10 -10.482 4.219 -2.327 1.00 0.00 H new ATOM 0 H4' DG A 10 -10.394 4.596 -5.327 1.00 0.00 H new ATOM 0 H3' DG A 10 -11.270 2.163 -4.157 1.00 0.00 H new ATOM 0 H2' DG A 10 -9.122 1.878 -2.947 1.00 0.00 H new ATOM 0 H2'' DG A 10 -8.928 0.905 -4.391 1.00 0.00 H new ATOM 0 H1' DG A 10 -7.923 2.806 -5.645 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.488 2.327 -5.754 1.00 0.00 H new ATOM 0 H1 DG A 10 -4.741 3.027 0.609 1.00 0.00 H new ATOM 0 H21 DG A 10 -8.231 3.019 0.642 1.00 0.00 H new ATOM 0 H22 DG A 10 -6.738 3.000 1.586 1.00 0.00 H new ATOM 325 P DG A 11 -10.944 0.848 -6.585 1.00 0.00 P ATOM 326 OP1 DG A 11 -11.512 1.058 -7.935 1.00 0.00 O ATOM 327 OP2 DG A 11 -11.746 0.193 -5.534 1.00 0.00 O ATOM 328 O5' DG A 11 -9.532 0.084 -6.743 1.00 0.00 O ATOM 329 C5' DG A 11 -8.651 0.411 -7.807 1.00 0.00 C ATOM 330 C4' DG A 11 -7.322 -0.344 -7.716 1.00 0.00 C ATOM 331 O4' DG A 11 -6.674 0.012 -6.503 1.00 0.00 O ATOM 332 C3' DG A 11 -7.478 -1.874 -7.748 1.00 0.00 C ATOM 333 O3' DG A 11 -6.587 -2.434 -8.700 1.00 0.00 O ATOM 334 C2' DG A 11 -7.041 -2.305 -6.353 1.00 0.00 C ATOM 335 C1' DG A 11 -6.098 -1.161 -5.976 1.00 0.00 C ATOM 336 N9 DG A 11 -5.804 -0.994 -4.535 1.00 0.00 N ATOM 337 C8 DG A 11 -6.646 -0.935 -3.446 1.00 0.00 C ATOM 338 N7 DG A 11 -6.026 -0.752 -2.313 1.00 0.00 N ATOM 339 C5 DG A 11 -4.677 -0.734 -2.661 1.00 0.00 C ATOM 340 C6 DG A 11 -3.499 -0.653 -1.848 1.00 0.00 C ATOM 341 O6 DG A 11 -3.421 -0.579 -0.622 1.00 0.00 O ATOM 342 N1 DG A 11 -2.330 -0.707 -2.586 1.00 0.00 N ATOM 343 C2 DG A 11 -2.288 -0.837 -3.944 1.00 0.00 C ATOM 344 N2 DG A 11 -1.116 -0.955 -4.528 1.00 0.00 N ATOM 345 N3 DG A 11 -3.364 -0.921 -4.725 1.00 0.00 N ATOM 346 C4 DG A 11 -4.535 -0.868 -4.022 1.00 0.00 C ATOM 0 H5' DG A 11 -8.458 1.484 -7.799 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.132 0.181 -8.758 1.00 0.00 H new ATOM 0 H4' DG A 11 -6.740 -0.060 -8.593 1.00 0.00 H new ATOM 0 H3' DG A 11 -8.488 -2.189 -8.012 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.882 -2.390 -5.665 1.00 0.00 H new ATOM 0 H2'' DG A 11 -6.536 -3.271 -6.359 1.00 0.00 H new ATOM 0 H1' DG A 11 -5.119 -1.395 -6.394 1.00 0.00 H new ATOM 0 H8 DG A 11 -7.719 -1.031 -3.523 1.00 0.00 H new ATOM 0 H1 DG A 11 -1.444 -0.646 -2.084 1.00 0.00 H new ATOM 0 H21 DG A 11 -1.059 -1.053 -5.542 1.00 0.00 H new ATOM 0 H22 DG A 11 -0.264 -0.948 -3.967 1.00 0.00 H new ATOM 358 P DT A 12 -6.938 -3.796 -9.492 1.00 0.00 P ATOM 359 OP1 DT A 12 -5.708 -4.262 -10.168 1.00 0.00 O ATOM 360 OP2 DT A 12 -8.167 -3.562 -10.281 1.00 0.00 O ATOM 361 O5' DT A 12 -7.276 -4.835 -8.302 1.00 0.00 O ATOM 362 C5' DT A 12 -8.527 -5.504 -8.243 1.00 0.00 C ATOM 363 C4' DT A 12 -8.623 -6.437 -7.029 1.00 0.00 C ATOM 364 O4' DT A 12 -7.529 -7.346 -7.023 1.00 0.00 O ATOM 365 C3' DT A 12 -8.596 -5.682 -5.696 1.00 0.00 C ATOM 366 O3' DT A 12 -9.759 -5.959 -4.939 1.00 0.00 O ATOM 367 C2' DT A 12 -7.390 -6.238 -4.960 1.00 0.00 C ATOM 368 C1' DT A 12 -7.162 -7.567 -5.680 1.00 0.00 C ATOM 369 N1 DT A 12 -5.759 -8.055 -5.579 1.00 0.00 N ATOM 370 C2 DT A 12 -5.553 -9.326 -5.033 1.00 0.00 C ATOM 371 O2 DT A 12 -6.454 -10.110 -4.755 1.00 0.00 O ATOM 372 N3 DT A 12 -4.248 -9.689 -4.785 1.00 0.00 N ATOM 373 C4 DT A 12 -3.134 -8.911 -5.016 1.00 0.00 C ATOM 374 O4 DT A 12 -2.035 -9.357 -4.706 1.00 0.00 O ATOM 375 C5 DT A 12 -3.409 -7.612 -5.627 1.00 0.00 C ATOM 376 C7 DT A 12 -2.258 -6.672 -5.947 1.00 0.00 C ATOM 377 C6 DT A 12 -4.690 -7.241 -5.909 1.00 0.00 C ATOM 0 H5' DT A 12 -8.673 -6.081 -9.156 1.00 0.00 H new ATOM 0 H5'' DT A 12 -9.330 -4.768 -8.199 1.00 0.00 H new ATOM 0 H4' DT A 12 -9.577 -6.956 -7.122 1.00 0.00 H new ATOM 0 H3' DT A 12 -8.550 -4.604 -5.849 1.00 0.00 H new ATOM 0 H2' DT A 12 -6.525 -5.579 -5.037 1.00 0.00 H new ATOM 0 H2'' DT A 12 -7.590 -6.379 -3.898 1.00 0.00 H new ATOM 0 H1' DT A 12 -7.760 -8.351 -5.215 1.00 0.00 H new ATOM 0 H3 DT A 12 -4.092 -10.618 -4.395 1.00 0.00 H new ATOM 0 H71 DT A 12 -2.517 -6.061 -6.812 1.00 0.00 H new ATOM 0 H72 DT A 12 -2.067 -6.026 -5.090 1.00 0.00 H new ATOM 0 H73 DT A 12 -1.364 -7.254 -6.169 1.00 0.00 H new ATOM 0 H6 DT A 12 -4.874 -6.296 -6.398 1.00 0.00 H new ATOM 390 P DT A 13 -10.441 -4.816 -4.030 1.00 0.00 P ATOM 391 OP1 DT A 13 -11.756 -5.329 -3.588 1.00 0.00 O ATOM 392 OP2 DT A 13 -10.346 -3.548 -4.779 1.00 0.00 O ATOM 393 O5' DT A 13 -9.468 -4.694 -2.742 1.00 0.00 O ATOM 394 C5' DT A 13 -9.728 -5.426 -1.556 1.00 0.00 C ATOM 395 C4' DT A 13 -8.900 -4.926 -0.368 1.00 0.00 C ATOM 396 O4' DT A 13 -7.536 -5.295 -0.464 1.00 0.00 O ATOM 397 C3' DT A 13 -8.986 -3.405 -0.134 1.00 0.00 C ATOM 398 O3' DT A 13 -9.443 -3.077 1.162 1.00 0.00 O ATOM 399 C2' DT A 13 -7.531 -3.007 -0.158 1.00 0.00 C ATOM 400 C1' DT A 13 -6.787 -4.285 0.181 1.00 0.00 C ATOM 401 N1 DT A 13 -5.423 -4.218 -0.372 1.00 0.00 N ATOM 402 C2 DT A 13 -4.325 -4.042 0.466 1.00 0.00 C ATOM 403 O2 DT A 13 -4.410 -3.962 1.685 1.00 0.00 O ATOM 404 N3 DT A 13 -3.096 -3.967 -0.157 1.00 0.00 N ATOM 405 C4 DT A 13 -2.876 -4.031 -1.518 1.00 0.00 C ATOM 406 O4 DT A 13 -1.720 -3.957 -1.923 1.00 0.00 O ATOM 407 C5 DT A 13 -4.083 -4.176 -2.331 1.00 0.00 C ATOM 408 C7 DT A 13 -4.004 -4.241 -3.839 1.00 0.00 C ATOM 409 C6 DT A 13 -5.299 -4.249 -1.729 1.00 0.00 C ATOM 0 H5' DT A 13 -9.512 -6.480 -1.728 1.00 0.00 H new ATOM 0 H5'' DT A 13 -10.788 -5.354 -1.313 1.00 0.00 H new ATOM 0 H4' DT A 13 -9.355 -5.422 0.489 1.00 0.00 H new ATOM 0 H3' DT A 13 -9.655 -2.934 -0.854 1.00 0.00 H new ATOM 0 H2' DT A 13 -7.239 -2.624 -1.136 1.00 0.00 H new ATOM 0 H2'' DT A 13 -7.322 -2.221 0.567 1.00 0.00 H new ATOM 0 H1' DT A 13 -6.691 -4.461 1.252 1.00 0.00 H new ATOM 0 H3 DT A 13 -2.278 -3.854 0.441 1.00 0.00 H new ATOM 0 H71 DT A 13 -3.145 -3.666 -4.183 1.00 0.00 H new ATOM 0 H72 DT A 13 -3.895 -5.279 -4.153 1.00 0.00 H new ATOM 0 H73 DT A 13 -4.915 -3.825 -4.269 1.00 0.00 H new ATOM 0 H6 DT A 13 -6.186 -4.333 -2.339 1.00 0.00 H new ATOM 422 P DG A 14 -10.990 -3.158 1.571 1.00 0.00 P ATOM 423 OP1 DG A 14 -11.325 -4.583 1.799 1.00 0.00 O ATOM 424 OP2 DG A 14 -11.771 -2.344 0.617 1.00 0.00 O ATOM 425 O5' DG A 14 -10.950 -2.387 2.985 1.00 0.00 O ATOM 426 C5' DG A 14 -10.722 -0.986 3.044 1.00 0.00 C ATOM 427 C4' DG A 14 -10.448 -0.544 4.486 1.00 0.00 C ATOM 428 O4' DG A 14 -9.147 -1.009 4.848 1.00 0.00 O ATOM 429 C3' DG A 14 -10.452 0.994 4.640 1.00 0.00 C ATOM 430 O3' DG A 14 -11.117 1.387 5.836 1.00 0.00 O ATOM 431 C2' DG A 14 -8.962 1.293 4.717 1.00 0.00 C ATOM 432 C1' DG A 14 -8.432 0.067 5.416 1.00 0.00 C ATOM 433 N9 DG A 14 -6.959 -0.020 5.278 1.00 0.00 N ATOM 434 C8 DG A 14 -6.065 0.162 6.291 1.00 0.00 C ATOM 435 N7 DG A 14 -4.816 -0.016 5.964 1.00 0.00 N ATOM 436 C5 DG A 14 -4.876 -0.228 4.585 1.00 0.00 C ATOM 437 C6 DG A 14 -3.825 -0.393 3.619 1.00 0.00 C ATOM 438 O6 DG A 14 -2.613 -0.466 3.803 1.00 0.00 O ATOM 439 N1 DG A 14 -4.276 -0.420 2.315 1.00 0.00 N ATOM 440 C2 DG A 14 -5.584 -0.278 1.973 1.00 0.00 C ATOM 441 N2 DG A 14 -5.825 -0.174 0.693 1.00 0.00 N ATOM 442 N3 DG A 14 -6.593 -0.169 2.838 1.00 0.00 N ATOM 443 C4 DG A 14 -6.182 -0.156 4.142 1.00 0.00 C ATOM 0 H5' DG A 14 -11.590 -0.454 2.654 1.00 0.00 H new ATOM 0 H5'' DG A 14 -9.875 -0.723 2.410 1.00 0.00 H new ATOM 0 H4' DG A 14 -11.234 -0.955 5.119 1.00 0.00 H new ATOM 0 H3' DG A 14 -10.972 1.522 3.841 1.00 0.00 H new ATOM 0 H2' DG A 14 -8.520 1.422 3.729 1.00 0.00 H new ATOM 0 H2'' DG A 14 -8.757 2.204 5.279 1.00 0.00 H new ATOM 0 H1' DG A 14 -8.585 0.076 6.495 1.00 0.00 H new ATOM 0 H8 DG A 14 -6.369 0.434 7.291 1.00 0.00 H new ATOM 0 H1 DG A 14 -3.593 -0.553 1.569 1.00 0.00 H new ATOM 0 H21 DG A 14 -6.784 -0.065 0.362 1.00 0.00 H new ATOM 0 H22 DG A 14 -5.055 -0.202 0.025 1.00 0.00 H new ATOM 455 P DG A 15 -11.365 2.935 6.278 1.00 0.00 P ATOM 456 OP1 DG A 15 -12.415 2.959 7.312 1.00 0.00 O ATOM 457 OP2 DG A 15 -11.479 3.808 5.075 1.00 0.00 O ATOM 458 O5' DG A 15 -9.990 3.369 6.979 1.00 0.00 O ATOM 459 C5' DG A 15 -9.529 2.797 8.192 1.00 0.00 C ATOM 460 C4' DG A 15 -8.131 3.346 8.515 1.00 0.00 C ATOM 461 O4' DG A 15 -7.226 2.942 7.492 1.00 0.00 O ATOM 462 C3' DG A 15 -8.109 4.883 8.571 1.00 0.00 C ATOM 463 O3' DG A 15 -7.266 5.332 9.618 1.00 0.00 O ATOM 464 C2' DG A 15 -7.513 5.275 7.225 1.00 0.00 C ATOM 465 C1' DG A 15 -6.574 4.091 6.978 1.00 0.00 C ATOM 466 N9 DG A 15 -6.130 3.866 5.589 1.00 0.00 N ATOM 467 C8 DG A 15 -6.841 4.006 4.435 1.00 0.00 C ATOM 468 N7 DG A 15 -6.198 3.698 3.345 1.00 0.00 N ATOM 469 C5 DG A 15 -4.930 3.359 3.822 1.00 0.00 C ATOM 470 C6 DG A 15 -3.748 2.956 3.124 1.00 0.00 C ATOM 471 O6 DG A 15 -3.597 2.795 1.923 1.00 0.00 O ATOM 472 N1 DG A 15 -2.669 2.730 3.953 1.00 0.00 N ATOM 473 C2 DG A 15 -2.712 2.852 5.307 1.00 0.00 C ATOM 474 N2 DG A 15 -1.601 2.571 5.952 1.00 0.00 N ATOM 475 N3 DG A 15 -3.788 3.243 5.996 1.00 0.00 N ATOM 476 C4 DG A 15 -4.872 3.473 5.194 1.00 0.00 C ATOM 0 H5' DG A 15 -9.494 1.711 8.105 1.00 0.00 H new ATOM 0 H5'' DG A 15 -10.220 3.030 9.003 1.00 0.00 H new ATOM 0 H4' DG A 15 -7.846 2.954 9.491 1.00 0.00 H new ATOM 0 H3' DG A 15 -9.093 5.314 8.755 1.00 0.00 H new ATOM 0 H2' DG A 15 -8.272 5.371 6.448 1.00 0.00 H new ATOM 0 H2'' DG A 15 -6.980 6.225 7.269 1.00 0.00 H new ATOM 0 HO3' DG A 15 -7.263 6.312 9.638 1.00 0.00 H new ATOM 0 H1' DG A 15 -5.637 4.321 7.485 1.00 0.00 H new ATOM 0 H8 DG A 15 -7.865 4.348 4.425 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.785 2.455 3.525 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.569 2.644 6.969 1.00 0.00 H new ATOM 0 H22 DG A 15 -0.771 2.281 5.435 1.00 0.00 H new TER 489 DG A 15