USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=5 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 -30:sc= 0 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -1.51 (180deg=-3.35!) USER MOD Single : A 1 DG O5' : rot 44:sc= 0.69 USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.137 (180deg=-3.35!) 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 7.182 2.487 2.965 1.00 0.00 O ATOM 2 C5' DG A 1 7.919 3.165 3.976 1.00 0.00 C ATOM 3 C4' DG A 1 7.342 2.858 5.362 1.00 0.00 C ATOM 4 O4' DG A 1 5.966 3.219 5.342 1.00 0.00 O ATOM 5 C3' DG A 1 7.427 1.370 5.740 1.00 0.00 C ATOM 6 O3' DG A 1 7.852 1.238 7.093 1.00 0.00 O ATOM 7 C2' DG A 1 5.992 0.896 5.546 1.00 0.00 C ATOM 8 C1' DG A 1 5.210 2.153 5.881 1.00 0.00 C ATOM 9 N9 DG A 1 3.826 2.103 5.368 1.00 0.00 N ATOM 10 C8 DG A 1 2.705 1.874 6.116 1.00 0.00 C ATOM 11 N7 DG A 1 1.585 2.031 5.470 1.00 0.00 N ATOM 12 C5 DG A 1 1.999 2.297 4.163 1.00 0.00 C ATOM 13 C6 DG A 1 1.225 2.514 2.977 1.00 0.00 C ATOM 14 O6 DG A 1 0.004 2.593 2.878 1.00 0.00 O ATOM 15 N1 DG A 1 1.993 2.636 1.834 1.00 0.00 N ATOM 16 C2 DG A 1 3.361 2.589 1.835 1.00 0.00 C ATOM 17 N2 DG A 1 3.980 2.690 0.681 1.00 0.00 N ATOM 18 N3 DG A 1 4.120 2.460 2.933 1.00 0.00 N ATOM 19 C4 DG A 1 3.375 2.299 4.074 1.00 0.00 C ATOM 0 H5' DG A 1 7.892 4.239 3.795 1.00 0.00 H new ATOM 0 H5'' DG A 1 8.965 2.861 3.936 1.00 0.00 H new ATOM 0 H4' DG A 1 7.925 3.417 6.094 1.00 0.00 H new ATOM 0 H3' DG A 1 8.141 0.794 5.151 1.00 0.00 H new ATOM 0 H2' DG A 1 5.806 0.557 4.527 1.00 0.00 H new ATOM 0 H2'' DG A 1 5.741 0.068 6.208 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.223 2.568 3.149 1.00 0.00 H new ATOM 0 H1' DG A 1 5.082 2.275 6.957 1.00 0.00 H new ATOM 0 H8 DG A 1 2.745 1.587 7.156 1.00 0.00 H new ATOM 0 H1 DG A 1 1.515 2.768 0.943 1.00 0.00 H new ATOM 0 H21 DG A 1 4.999 2.659 0.644 1.00 0.00 H new ATOM 0 H22 DG A 1 3.442 2.799 -0.179 1.00 0.00 H new ATOM 32 P DG A 2 8.330 -0.180 7.703 1.00 0.00 P ATOM 33 OP1 DG A 2 9.012 0.056 8.999 1.00 0.00 O ATOM 34 OP2 DG A 2 9.061 -0.924 6.663 1.00 0.00 O ATOM 35 O5' DG A 2 6.959 -0.945 8.030 1.00 0.00 O ATOM 36 C5' DG A 2 6.134 -0.551 9.117 1.00 0.00 C ATOM 37 C4' DG A 2 4.781 -1.277 9.087 1.00 0.00 C ATOM 38 O4' DG A 2 3.989 -0.791 8.006 1.00 0.00 O ATOM 39 C3' DG A 2 4.949 -2.794 8.922 1.00 0.00 C ATOM 40 O3' DG A 2 4.167 -3.502 9.868 1.00 0.00 O ATOM 41 C2' DG A 2 4.432 -3.045 7.514 1.00 0.00 C ATOM 42 C1' DG A 2 3.423 -1.908 7.348 1.00 0.00 C ATOM 43 N9 DG A 2 3.064 -1.597 5.951 1.00 0.00 N ATOM 44 C8 DG A 2 3.871 -1.599 4.851 1.00 0.00 C ATOM 45 N7 DG A 2 3.279 -1.293 3.731 1.00 0.00 N ATOM 46 C5 DG A 2 1.953 -1.110 4.120 1.00 0.00 C ATOM 47 C6 DG A 2 0.797 -0.799 3.341 1.00 0.00 C ATOM 48 O6 DG A 2 0.740 -0.611 2.129 1.00 0.00 O ATOM 49 N1 DG A 2 -0.362 -0.724 4.090 1.00 0.00 N ATOM 50 C2 DG A 2 -0.417 -0.937 5.437 1.00 0.00 C ATOM 51 N2 DG A 2 -1.588 -0.888 6.033 1.00 0.00 N ATOM 52 N3 DG A 2 0.642 -1.242 6.193 1.00 0.00 N ATOM 53 C4 DG A 2 1.805 -1.305 5.476 1.00 0.00 C ATOM 0 H5' DG A 2 5.971 0.526 9.080 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.642 -0.765 10.057 1.00 0.00 H new ATOM 0 H4' DG A 2 4.291 -1.080 10.041 1.00 0.00 H new ATOM 0 H3' DG A 2 5.976 -3.126 9.077 1.00 0.00 H new ATOM 0 H2' DG A 2 5.228 -2.998 6.771 1.00 0.00 H new ATOM 0 H2'' DG A 2 3.964 -4.025 7.418 1.00 0.00 H new ATOM 0 H1' DG A 2 2.470 -2.208 7.783 1.00 0.00 H new ATOM 0 H8 DG A 2 4.923 -1.837 4.904 1.00 0.00 H new ATOM 0 H1 DG A 2 -1.230 -0.495 3.606 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.655 -1.044 7.039 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.429 -0.694 5.490 1.00 0.00 H new HETATM 65 P TAF A 3 4.679 -4.921 10.446 1.00 0.00 P HETATM 66 OP1 TAF A 3 3.647 -5.463 11.354 1.00 0.00 O HETATM 67 OP2 TAF A 3 6.069 -4.744 10.919 1.00 0.00 O HETATM 68 O5' TAF A 3 4.705 -5.832 9.116 1.00 0.00 O HETATM 69 N1 TAF A 3 2.039 -7.693 6.629 1.00 0.00 N HETATM 70 C6 TAF A 3 1.715 -6.548 7.324 1.00 0.00 C HETATM 71 C2 TAF A 3 1.048 -8.428 5.972 1.00 0.00 C HETATM 72 O2 TAF A 3 1.280 -9.385 5.242 1.00 0.00 O HETATM 73 N3 TAF A 3 -0.258 -8.034 6.166 1.00 0.00 N HETATM 74 C4 TAF A 3 -0.672 -6.948 6.909 1.00 0.00 C HETATM 75 O4 TAF A 3 -1.883 -6.797 7.098 1.00 0.00 O HETATM 76 C5 TAF A 3 0.425 -6.119 7.410 1.00 0.00 C HETATM 77 C5M TAF A 3 0.151 -4.720 7.922 1.00 0.00 C HETATM 78 F2' TAF A 3 3.654 -5.895 5.340 1.00 0.00 F HETATM 79 C2' TAF A 3 4.298 -7.092 5.598 1.00 0.00 C HETATM 80 C5' TAF A 3 5.598 -6.932 8.991 1.00 0.00 C HETATM 81 C4' TAF A 3 5.373 -7.706 7.683 1.00 0.00 C HETATM 82 O4' TAF A 3 4.068 -8.269 7.685 1.00 0.00 O HETATM 83 C1' TAF A 3 3.463 -8.091 6.417 1.00 0.00 C HETATM 84 C3' TAF A 3 5.535 -6.818 6.446 1.00 0.00 C HETATM 85 O3' TAF A 3 6.747 -7.113 5.744 1.00 0.00 O HETATM 0 H5'' TAF A 3 6.626 -6.571 9.027 1.00 0.00 H new HETATM 0 H73 TAF A 3 0.541 -4.620 8.935 1.00 0.00 H new HETATM 0 H72 TAF A 3 0.639 -3.993 7.273 1.00 0.00 H new HETATM 0 H71 TAF A 3 -0.924 -4.538 7.927 1.00 0.00 H new HETATM 0 H6 TAF A 3 2.504 -5.976 7.813 1.00 0.00 H new HETATM 0 H5' TAF A 3 5.466 -7.605 9.838 1.00 0.00 H new HETATM 0 H4' TAF A 3 6.131 -8.488 7.632 1.00 0.00 H new HETATM 0 H3' TAF A 3 5.612 -5.763 6.707 1.00 0.00 H new HETATM 0 H3 TAF A 3 -0.984 -8.596 5.720 1.00 0.00 H new HETATM 0 H2' TAF A 3 4.512 -7.521 4.619 1.00 0.00 H new HETATM 0 H1' TAF A 3 3.444 -9.009 5.830 1.00 0.00 H new ATOM 97 P DT A 4 7.480 -5.996 4.826 1.00 0.00 P ATOM 98 OP1 DT A 4 8.774 -6.536 4.348 1.00 0.00 O ATOM 99 OP2 DT A 4 7.436 -4.722 5.570 1.00 0.00 O ATOM 100 O5' DT A 4 6.495 -5.860 3.557 1.00 0.00 O ATOM 101 C5' DT A 4 6.498 -6.810 2.504 1.00 0.00 C ATOM 102 C4' DT A 4 5.785 -6.253 1.268 1.00 0.00 C ATOM 103 O4' DT A 4 4.379 -6.174 1.420 1.00 0.00 O ATOM 104 C3' DT A 4 6.290 -4.850 0.885 1.00 0.00 C ATOM 105 O3' DT A 4 6.506 -4.726 -0.503 1.00 0.00 O ATOM 106 C2' DT A 4 5.081 -4.002 1.220 1.00 0.00 C ATOM 107 C1' DT A 4 3.994 -4.972 0.787 1.00 0.00 C ATOM 108 N1 DT A 4 2.657 -4.541 1.223 1.00 0.00 N ATOM 109 C2 DT A 4 1.704 -4.138 0.286 1.00 0.00 C ATOM 110 O2 DT A 4 1.920 -4.090 -0.929 1.00 0.00 O ATOM 111 N3 DT A 4 0.466 -3.816 0.804 1.00 0.00 N ATOM 112 C4 DT A 4 0.078 -3.919 2.111 1.00 0.00 C ATOM 113 O4 DT A 4 -1.098 -3.686 2.363 1.00 0.00 O ATOM 114 C5 DT A 4 1.134 -4.330 3.028 1.00 0.00 C ATOM 115 C7 DT A 4 0.840 -4.466 4.501 1.00 0.00 C ATOM 116 C6 DT A 4 2.380 -4.604 2.557 1.00 0.00 C ATOM 0 H5' DT A 4 6.005 -7.725 2.832 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.524 -7.074 2.249 1.00 0.00 H new ATOM 0 H4' DT A 4 6.021 -6.968 0.480 1.00 0.00 H new ATOM 0 H3' DT A 4 7.227 -4.596 1.380 1.00 0.00 H new ATOM 0 H2' DT A 4 5.023 -3.748 2.278 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.056 -3.064 0.665 1.00 0.00 H new ATOM 0 H1' DT A 4 3.911 -5.056 -0.297 1.00 0.00 H new ATOM 0 H3 DT A 4 -0.230 -3.466 0.145 1.00 0.00 H new ATOM 0 H71 DT A 4 0.055 -3.764 4.782 1.00 0.00 H new ATOM 0 H72 DT A 4 0.510 -5.483 4.714 1.00 0.00 H new ATOM 0 H73 DT A 4 1.742 -4.250 5.074 1.00 0.00 H new ATOM 0 H6 DT A 4 3.162 -4.876 3.250 1.00 0.00 H new ATOM 129 P DG A 5 7.889 -5.151 -1.180 1.00 0.00 P ATOM 130 OP1 DG A 5 7.881 -6.607 -1.412 1.00 0.00 O ATOM 131 OP2 DG A 5 9.000 -4.567 -0.395 1.00 0.00 O ATOM 132 O5' DG A 5 7.790 -4.366 -2.569 1.00 0.00 O ATOM 133 C5' DG A 5 7.916 -2.954 -2.598 1.00 0.00 C ATOM 134 C4' DG A 5 7.358 -2.396 -3.908 1.00 0.00 C ATOM 135 O4' DG A 5 5.932 -2.477 -3.885 1.00 0.00 O ATOM 136 C3' DG A 5 7.719 -0.914 -4.084 1.00 0.00 C ATOM 137 O3' DG A 5 8.028 -0.692 -5.454 1.00 0.00 O ATOM 138 C2' DG A 5 6.430 -0.221 -3.661 1.00 0.00 C ATOM 139 C1' DG A 5 5.417 -1.206 -4.229 1.00 0.00 C ATOM 140 N9 DG A 5 4.013 -1.024 -3.775 1.00 0.00 N ATOM 141 C8 DG A 5 2.908 -0.968 -4.588 1.00 0.00 C ATOM 142 N7 DG A 5 1.770 -0.901 -3.957 1.00 0.00 N ATOM 143 C5 DG A 5 2.146 -0.838 -2.615 1.00 0.00 C ATOM 144 C6 DG A 5 1.341 -0.714 -1.437 1.00 0.00 C ATOM 145 O6 DG A 5 0.121 -0.640 -1.366 1.00 0.00 O ATOM 146 N1 DG A 5 2.071 -0.685 -0.267 1.00 0.00 N ATOM 147 C2 DG A 5 3.432 -0.760 -0.228 1.00 0.00 C ATOM 148 N2 DG A 5 4.012 -0.743 0.950 1.00 0.00 N ATOM 149 N3 DG A 5 4.211 -0.888 -1.305 1.00 0.00 N ATOM 150 C4 DG A 5 3.517 -0.915 -2.484 1.00 0.00 C ATOM 0 H5' DG A 5 8.964 -2.674 -2.493 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.383 -2.518 -1.753 1.00 0.00 H new ATOM 0 H4' DG A 5 7.786 -2.980 -4.723 1.00 0.00 H new ATOM 0 H3' DG A 5 8.579 -0.561 -3.515 1.00 0.00 H new ATOM 0 H2' DG A 5 6.348 -0.113 -2.579 1.00 0.00 H new ATOM 0 H2'' DG A 5 6.330 0.776 -4.090 1.00 0.00 H new ATOM 0 H1' DG A 5 5.318 -1.055 -5.304 1.00 0.00 H new ATOM 0 H8 DG A 5 2.977 -0.979 -5.666 1.00 0.00 H new ATOM 0 H1 DG A 5 1.566 -0.603 0.616 1.00 0.00 H new ATOM 0 H21 DG A 5 5.028 -0.797 1.019 1.00 0.00 H new ATOM 0 H22 DG A 5 3.446 -0.675 1.796 1.00 0.00 H new ATOM 162 P DG A 6 8.527 0.739 -6.021 1.00 0.00 P ATOM 163 OP1 DG A 6 9.248 0.513 -7.291 1.00 0.00 O ATOM 164 OP2 DG A 6 9.170 1.480 -4.915 1.00 0.00 O ATOM 165 O5' DG A 6 7.126 1.460 -6.363 1.00 0.00 O ATOM 166 C5' DG A 6 6.277 0.952 -7.377 1.00 0.00 C ATOM 167 C4' DG A 6 4.880 1.572 -7.289 1.00 0.00 C ATOM 168 O4' DG A 6 4.301 1.373 -6.006 1.00 0.00 O ATOM 169 C3' DG A 6 4.867 3.081 -7.561 1.00 0.00 C ATOM 170 O3' DG A 6 4.243 3.270 -8.822 1.00 0.00 O ATOM 171 C2' DG A 6 4.088 3.671 -6.377 1.00 0.00 C ATOM 172 C1' DG A 6 3.407 2.443 -5.782 1.00 0.00 C ATOM 173 N9 DG A 6 3.041 2.575 -4.350 1.00 0.00 N ATOM 174 C8 DG A 6 3.829 2.742 -3.230 1.00 0.00 C ATOM 175 N7 DG A 6 3.168 2.754 -2.106 1.00 0.00 N ATOM 176 C5 DG A 6 1.838 2.650 -2.508 1.00 0.00 C ATOM 177 C6 DG A 6 0.631 2.665 -1.739 1.00 0.00 C ATOM 178 O6 DG A 6 0.520 2.751 -0.520 1.00 0.00 O ATOM 179 N1 DG A 6 -0.510 2.592 -2.520 1.00 0.00 N ATOM 180 C2 DG A 6 -0.498 2.540 -3.885 1.00 0.00 C ATOM 181 N2 DG A 6 -1.641 2.542 -4.527 1.00 0.00 N ATOM 182 N3 DG A 6 0.609 2.492 -4.626 1.00 0.00 N ATOM 183 C4 DG A 6 1.750 2.561 -3.878 1.00 0.00 C ATOM 0 H5' DG A 6 6.204 -0.132 -7.285 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.710 1.160 -8.356 1.00 0.00 H new ATOM 0 H4' DG A 6 4.305 1.063 -8.062 1.00 0.00 H new ATOM 0 H3' DG A 6 5.841 3.565 -7.624 1.00 0.00 H new ATOM 0 H2' DG A 6 4.749 4.156 -5.659 1.00 0.00 H new ATOM 0 H2'' DG A 6 3.364 4.419 -6.700 1.00 0.00 H new ATOM 0 H1' DG A 6 2.442 2.285 -6.264 1.00 0.00 H new ATOM 0 H8 DG A 6 4.902 2.853 -3.280 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.414 2.576 -2.048 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.654 2.504 -5.546 1.00 0.00 H new ATOM 0 H22 DG A 6 -2.518 2.582 -4.007 1.00 0.00 H new ATOM 195 P DT A 7 4.015 4.722 -9.479 1.00 0.00 P ATOM 196 OP1 DT A 7 3.982 4.575 -10.943 1.00 0.00 O ATOM 197 OP2 DT A 7 4.943 5.689 -8.845 1.00 0.00 O ATOM 198 O5' DT A 7 2.529 4.981 -8.947 1.00 0.00 O ATOM 199 C5' DT A 7 1.704 6.023 -9.432 1.00 0.00 C ATOM 200 C4' DT A 7 0.230 5.624 -9.294 1.00 0.00 C ATOM 201 O4' DT A 7 -0.041 4.554 -10.196 1.00 0.00 O ATOM 202 C3' DT A 7 -0.132 5.118 -7.882 1.00 0.00 C ATOM 203 O3' DT A 7 -1.469 5.446 -7.562 1.00 0.00 O ATOM 204 C2' DT A 7 -0.068 3.610 -8.042 1.00 0.00 C ATOM 205 C1' DT A 7 -0.604 3.481 -9.466 1.00 0.00 C ATOM 206 N1 DT A 7 -0.263 2.183 -10.096 1.00 0.00 N ATOM 207 C2 DT A 7 -1.307 1.387 -10.577 1.00 0.00 C ATOM 208 O2 DT A 7 -2.489 1.716 -10.570 1.00 0.00 O ATOM 209 N3 DT A 7 -0.962 0.151 -11.076 1.00 0.00 N ATOM 210 C4 DT A 7 0.314 -0.369 -11.134 1.00 0.00 C ATOM 211 O4 DT A 7 0.454 -1.497 -11.593 1.00 0.00 O ATOM 212 C5 DT A 7 1.362 0.521 -10.630 1.00 0.00 C ATOM 213 C7 DT A 7 2.818 0.094 -10.664 1.00 0.00 C ATOM 214 C6 DT A 7 1.046 1.754 -10.151 1.00 0.00 C ATOM 0 H5' DT A 7 1.938 6.229 -10.476 1.00 0.00 H new ATOM 0 H5'' DT A 7 1.896 6.940 -8.875 1.00 0.00 H new ATOM 0 H4' DT A 7 -0.356 6.518 -9.504 1.00 0.00 H new ATOM 0 H3' DT A 7 0.516 5.538 -7.113 1.00 0.00 H new ATOM 0 H2' DT A 7 0.945 3.221 -7.940 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.686 3.085 -7.313 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.693 3.517 -9.457 1.00 0.00 H new ATOM 0 H3 DT A 7 -1.718 -0.432 -11.435 1.00 0.00 H new ATOM 0 H71 DT A 7 3.453 0.973 -10.773 1.00 0.00 H new ATOM 0 H72 DT A 7 3.068 -0.421 -9.737 1.00 0.00 H new ATOM 0 H73 DT A 7 2.981 -0.577 -11.507 1.00 0.00 H new ATOM 0 H6 DT A 7 1.834 2.408 -9.808 1.00 0.00 H new ATOM 227 P DG A 8 -1.892 6.935 -7.133 1.00 0.00 P ATOM 228 OP1 DG A 8 -3.232 7.193 -7.694 1.00 0.00 O ATOM 229 OP2 DG A 8 -0.764 7.842 -7.442 1.00 0.00 O ATOM 230 O5' DG A 8 -1.990 6.764 -5.539 1.00 0.00 O ATOM 231 C5' DG A 8 -3.054 6.034 -4.946 1.00 0.00 C ATOM 232 C4' DG A 8 -2.984 6.076 -3.414 1.00 0.00 C ATOM 233 O4' DG A 8 -1.877 5.314 -2.961 1.00 0.00 O ATOM 234 C3' DG A 8 -2.864 7.498 -2.852 1.00 0.00 C ATOM 235 O3' DG A 8 -3.984 7.837 -2.055 1.00 0.00 O ATOM 236 C2' DG A 8 -1.630 7.473 -1.957 1.00 0.00 C ATOM 237 C1' DG A 8 -1.083 6.047 -2.048 1.00 0.00 C ATOM 238 N9 DG A 8 0.320 6.050 -2.517 1.00 0.00 N ATOM 239 C8 DG A 8 0.799 6.104 -3.803 1.00 0.00 C ATOM 240 N7 DG A 8 2.103 6.078 -3.888 1.00 0.00 N ATOM 241 C5 DG A 8 2.526 6.025 -2.556 1.00 0.00 C ATOM 242 C6 DG A 8 3.840 5.969 -1.973 1.00 0.00 C ATOM 243 O6 DG A 8 4.943 5.950 -2.516 1.00 0.00 O ATOM 244 N1 DG A 8 3.825 5.926 -0.589 1.00 0.00 N ATOM 245 C2 DG A 8 2.682 5.942 0.158 1.00 0.00 C ATOM 246 N2 DG A 8 2.794 5.883 1.464 1.00 0.00 N ATOM 247 N3 DG A 8 1.452 5.996 -0.346 1.00 0.00 N ATOM 248 C4 DG A 8 1.435 6.027 -1.712 1.00 0.00 C ATOM 0 H5' DG A 8 -3.018 4.998 -5.284 1.00 0.00 H new ATOM 0 H5'' DG A 8 -4.007 6.445 -5.278 1.00 0.00 H new ATOM 0 H4' DG A 8 -3.923 5.657 -3.053 1.00 0.00 H new ATOM 0 H3' DG A 8 -2.802 8.225 -3.661 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.889 8.199 -2.291 1.00 0.00 H new ATOM 0 H2'' DG A 8 -1.886 7.729 -0.929 1.00 0.00 H new ATOM 0 H1' DG A 8 -1.115 5.591 -1.058 1.00 0.00 H new ATOM 0 H8 DG A 8 0.155 6.163 -4.668 1.00 0.00 H new ATOM 0 H1 DG A 8 4.719 5.880 -0.100 1.00 0.00 H new ATOM 0 H21 DG A 8 1.958 5.893 2.049 1.00 0.00 H new ATOM 0 H22 DG A 8 3.717 5.827 1.895 1.00 0.00 H new ATOM 260 P DT A 9 -5.270 8.575 -2.687 1.00 0.00 P ATOM 261 OP1 DT A 9 -5.392 8.173 -4.102 1.00 0.00 O ATOM 262 OP2 DT A 9 -5.205 10.005 -2.323 1.00 0.00 O ATOM 263 O5' DT A 9 -6.459 7.877 -1.868 1.00 0.00 O ATOM 264 C5' DT A 9 -7.053 6.664 -2.306 1.00 0.00 C ATOM 265 C4' DT A 9 -7.999 6.124 -1.233 1.00 0.00 C ATOM 266 O4' DT A 9 -7.233 5.724 -0.106 1.00 0.00 O ATOM 267 C3' DT A 9 -9.002 7.181 -0.735 1.00 0.00 C ATOM 268 O3' DT A 9 -10.298 6.627 -0.579 1.00 0.00 O ATOM 269 C2' DT A 9 -8.460 7.533 0.646 1.00 0.00 C ATOM 270 C1' DT A 9 -7.862 6.197 1.067 1.00 0.00 C ATOM 271 N1 DT A 9 -6.911 6.325 2.205 1.00 0.00 N ATOM 272 C2 DT A 9 -7.456 6.463 3.487 1.00 0.00 C ATOM 273 O2 DT A 9 -8.658 6.453 3.729 1.00 0.00 O ATOM 274 N3 DT A 9 -6.570 6.611 4.528 1.00 0.00 N ATOM 275 C4 DT A 9 -5.197 6.548 4.428 1.00 0.00 C ATOM 276 O4 DT A 9 -4.541 6.626 5.460 1.00 0.00 O ATOM 277 C5 DT A 9 -4.686 6.386 3.067 1.00 0.00 C ATOM 278 C7 DT A 9 -3.188 6.310 2.825 1.00 0.00 C ATOM 279 C6 DT A 9 -5.542 6.294 2.014 1.00 0.00 C ATOM 0 H5' DT A 9 -6.278 5.928 -2.522 1.00 0.00 H new ATOM 0 H5'' DT A 9 -7.601 6.832 -3.233 1.00 0.00 H new ATOM 0 H4' DT A 9 -8.550 5.299 -1.685 1.00 0.00 H new ATOM 0 H3' DT A 9 -9.094 8.022 -1.423 1.00 0.00 H new ATOM 0 H2' DT A 9 -7.713 8.326 0.607 1.00 0.00 H new ATOM 0 H2'' DT A 9 -9.245 7.867 1.325 1.00 0.00 H new ATOM 0 H1' DT A 9 -8.619 5.509 1.442 1.00 0.00 H new ATOM 0 H3 DT A 9 -6.963 6.782 5.454 1.00 0.00 H new ATOM 0 H71 DT A 9 -2.992 5.693 1.948 1.00 0.00 H new ATOM 0 H72 DT A 9 -2.795 7.313 2.658 1.00 0.00 H new ATOM 0 H73 DT A 9 -2.701 5.869 3.695 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.146 6.195 1.014 1.00 0.00 H new ATOM 292 P DG A 10 -11.392 6.721 -1.759 1.00 0.00 P ATOM 293 OP1 DG A 10 -11.401 8.108 -2.270 1.00 0.00 O ATOM 294 OP2 DG A 10 -12.647 6.104 -1.283 1.00 0.00 O ATOM 295 O5' DG A 10 -10.767 5.773 -2.899 1.00 0.00 O ATOM 296 C5' DG A 10 -10.902 4.366 -2.847 1.00 0.00 C ATOM 297 C4' DG A 10 -10.167 3.753 -4.039 1.00 0.00 C ATOM 298 O4' DG A 10 -8.760 3.944 -3.911 1.00 0.00 O ATOM 299 C3' DG A 10 -10.398 2.239 -4.155 1.00 0.00 C ATOM 300 O3' DG A 10 -10.657 1.945 -5.521 1.00 0.00 O ATOM 301 C2' DG A 10 -9.057 1.685 -3.685 1.00 0.00 C ATOM 302 C1' DG A 10 -8.141 2.735 -4.300 1.00 0.00 C ATOM 303 N9 DG A 10 -6.717 2.645 -3.851 1.00 0.00 N ATOM 304 C8 DG A 10 -5.570 2.484 -4.611 1.00 0.00 C ATOM 305 N7 DG A 10 -4.463 2.565 -3.930 1.00 0.00 N ATOM 306 C5 DG A 10 -4.888 2.735 -2.615 1.00 0.00 C ATOM 307 C6 DG A 10 -4.127 2.852 -1.407 1.00 0.00 C ATOM 308 O6 DG A 10 -2.910 2.884 -1.275 1.00 0.00 O ATOM 309 N1 DG A 10 -4.903 2.914 -0.269 1.00 0.00 N ATOM 310 C2 DG A 10 -6.264 2.883 -0.280 1.00 0.00 C ATOM 311 N2 DG A 10 -6.886 2.900 0.878 1.00 0.00 N ATOM 312 N3 DG A 10 -7.003 2.804 -1.391 1.00 0.00 N ATOM 313 C4 DG A 10 -6.262 2.733 -2.543 1.00 0.00 C ATOM 0 H5' DG A 10 -11.956 4.087 -2.870 1.00 0.00 H new ATOM 0 H5'' DG A 10 -10.491 3.982 -1.913 1.00 0.00 H new ATOM 0 H4' DG A 10 -10.563 4.254 -4.922 1.00 0.00 H new ATOM 0 H3' DG A 10 -11.233 1.830 -3.586 1.00 0.00 H new ATOM 0 H2' DG A 10 -8.977 1.640 -2.599 1.00 0.00 H new ATOM 0 H2'' DG A 10 -8.860 0.681 -4.061 1.00 0.00 H new ATOM 0 H1' DG A 10 -8.045 2.618 -5.379 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.592 2.307 -5.676 1.00 0.00 H new ATOM 0 H1 DG A 10 -4.431 2.987 0.632 1.00 0.00 H new ATOM 0 H21 DG A 10 -7.905 2.878 0.910 1.00 0.00 H new ATOM 0 H22 DG A 10 -6.349 2.935 1.745 1.00 0.00 H new ATOM 325 P DG A 11 -11.050 0.465 -6.024 1.00 0.00 P ATOM 326 OP1 DG A 11 -11.809 0.598 -7.286 1.00 0.00 O ATOM 327 OP2 DG A 11 -11.630 -0.257 -4.874 1.00 0.00 O ATOM 328 O5' DG A 11 -9.604 -0.163 -6.371 1.00 0.00 O ATOM 329 C5' DG A 11 -8.875 0.288 -7.500 1.00 0.00 C ATOM 330 C4' DG A 11 -7.488 -0.360 -7.586 1.00 0.00 C ATOM 331 O4' DG A 11 -6.748 -0.024 -6.419 1.00 0.00 O ATOM 332 C3' DG A 11 -7.545 -1.893 -7.692 1.00 0.00 C ATOM 333 O3' DG A 11 -6.647 -2.356 -8.688 1.00 0.00 O ATOM 334 C2' DG A 11 -7.048 -2.356 -6.330 1.00 0.00 C ATOM 335 C1' DG A 11 -6.122 -1.200 -5.950 1.00 0.00 C ATOM 336 N9 DG A 11 -5.779 -1.075 -4.515 1.00 0.00 N ATOM 337 C8 DG A 11 -6.582 -1.090 -3.395 1.00 0.00 C ATOM 338 N7 DG A 11 -5.937 -0.883 -2.280 1.00 0.00 N ATOM 339 C5 DG A 11 -4.610 -0.754 -2.680 1.00 0.00 C ATOM 340 C6 DG A 11 -3.418 -0.565 -1.909 1.00 0.00 C ATOM 341 O6 DG A 11 -3.315 -0.457 -0.695 1.00 0.00 O ATOM 342 N1 DG A 11 -2.267 -0.542 -2.670 1.00 0.00 N ATOM 343 C2 DG A 11 -2.252 -0.694 -4.025 1.00 0.00 C ATOM 344 N2 DG A 11 -1.088 -0.777 -4.628 1.00 0.00 N ATOM 345 N3 DG A 11 -3.342 -0.873 -4.777 1.00 0.00 N ATOM 346 C4 DG A 11 -4.499 -0.887 -4.043 1.00 0.00 C ATOM 0 H5' DG A 11 -8.766 1.372 -7.452 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.436 0.064 -8.407 1.00 0.00 H new ATOM 0 H4' DG A 11 -7.015 0.019 -8.492 1.00 0.00 H new ATOM 0 H3' DG A 11 -8.538 -2.258 -7.953 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.861 -2.485 -5.616 1.00 0.00 H new ATOM 0 H2'' DG A 11 -6.519 -3.307 -6.385 1.00 0.00 H new ATOM 0 H1' DG A 11 -5.153 -1.391 -6.411 1.00 0.00 H new ATOM 0 H8 DG A 11 -7.648 -1.258 -3.437 1.00 0.00 H new ATOM 0 H1 DG A 11 -1.377 -0.403 -2.192 1.00 0.00 H new ATOM 0 H21 DG A 11 -1.045 -0.891 -5.641 1.00 0.00 H new ATOM 0 H22 DG A 11 -0.227 -0.727 -4.083 1.00 0.00 H new ATOM 358 P DT A 12 -6.908 -3.730 -9.482 1.00 0.00 P ATOM 359 OP1 DT A 12 -5.651 -4.070 -10.188 1.00 0.00 O ATOM 360 OP2 DT A 12 -8.141 -3.572 -10.274 1.00 0.00 O ATOM 361 O5' DT A 12 -7.149 -4.822 -8.321 1.00 0.00 O ATOM 362 C5' DT A 12 -8.281 -5.680 -8.333 1.00 0.00 C ATOM 363 C4' DT A 12 -8.300 -6.617 -7.115 1.00 0.00 C ATOM 364 O4' DT A 12 -7.094 -7.367 -7.077 1.00 0.00 O ATOM 365 C3' DT A 12 -8.447 -5.863 -5.787 1.00 0.00 C ATOM 366 O3' DT A 12 -9.533 -6.370 -5.020 1.00 0.00 O ATOM 367 C2' DT A 12 -7.143 -6.113 -5.045 1.00 0.00 C ATOM 368 C1' DT A 12 -6.507 -7.286 -5.794 1.00 0.00 C ATOM 369 N1 DT A 12 -5.027 -7.155 -5.920 1.00 0.00 N ATOM 370 C2 DT A 12 -4.236 -8.132 -5.302 1.00 0.00 C ATOM 371 O2 DT A 12 -4.689 -9.118 -4.730 1.00 0.00 O ATOM 372 N3 DT A 12 -2.872 -7.934 -5.316 1.00 0.00 N ATOM 373 C4 DT A 12 -2.233 -6.810 -5.796 1.00 0.00 C ATOM 374 O4 DT A 12 -1.014 -6.738 -5.672 1.00 0.00 O ATOM 375 C5 DT A 12 -3.116 -5.802 -6.383 1.00 0.00 C ATOM 376 C7 DT A 12 -2.552 -4.459 -6.807 1.00 0.00 C ATOM 377 C6 DT A 12 -4.456 -6.023 -6.473 1.00 0.00 C ATOM 0 H5' DT A 12 -8.278 -6.273 -9.248 1.00 0.00 H new ATOM 0 H5'' DT A 12 -9.191 -5.081 -8.345 1.00 0.00 H new ATOM 0 H4' DT A 12 -9.168 -7.267 -7.228 1.00 0.00 H new ATOM 0 H3' DT A 12 -8.646 -4.805 -5.956 1.00 0.00 H new ATOM 0 H2' DT A 12 -6.500 -5.233 -5.062 1.00 0.00 H new ATOM 0 H2'' DT A 12 -7.321 -6.358 -3.998 1.00 0.00 H new ATOM 0 H1' DT A 12 -6.691 -8.195 -5.221 1.00 0.00 H new ATOM 0 H3 DT A 12 -2.287 -8.680 -4.940 1.00 0.00 H new ATOM 0 H71 DT A 12 -1.704 -4.204 -6.172 1.00 0.00 H new ATOM 0 H72 DT A 12 -2.224 -4.513 -7.845 1.00 0.00 H new ATOM 0 H73 DT A 12 -3.322 -3.694 -6.709 1.00 0.00 H new ATOM 0 H6 DT A 12 -5.082 -5.305 -6.983 1.00 0.00 H new ATOM 390 P DT A 13 -10.386 -5.375 -4.076 1.00 0.00 P ATOM 391 OP1 DT A 13 -11.528 -6.220 -3.657 1.00 0.00 O ATOM 392 OP2 DT A 13 -10.608 -4.141 -4.842 1.00 0.00 O ATOM 393 O5' DT A 13 -9.438 -5.093 -2.803 1.00 0.00 O ATOM 394 C5' DT A 13 -9.599 -5.823 -1.596 1.00 0.00 C ATOM 395 C4' DT A 13 -8.733 -5.288 -0.450 1.00 0.00 C ATOM 396 O4' DT A 13 -7.355 -5.583 -0.608 1.00 0.00 O ATOM 397 C3' DT A 13 -8.875 -3.781 -0.177 1.00 0.00 C ATOM 398 O3' DT A 13 -9.343 -3.502 1.125 1.00 0.00 O ATOM 399 C2' DT A 13 -7.431 -3.348 -0.151 1.00 0.00 C ATOM 400 C1' DT A 13 -6.670 -4.616 0.166 1.00 0.00 C ATOM 401 N1 DT A 13 -5.270 -4.431 -0.251 1.00 0.00 N ATOM 402 C2 DT A 13 -4.280 -4.129 0.682 1.00 0.00 C ATOM 403 O2 DT A 13 -4.491 -4.070 1.889 1.00 0.00 O ATOM 404 N3 DT A 13 -3.021 -3.892 0.161 1.00 0.00 N ATOM 405 C4 DT A 13 -2.661 -3.935 -1.159 1.00 0.00 C ATOM 406 O4 DT A 13 -1.477 -3.762 -1.445 1.00 0.00 O ATOM 407 C5 DT A 13 -3.772 -4.186 -2.069 1.00 0.00 C ATOM 408 C7 DT A 13 -3.538 -4.198 -3.551 1.00 0.00 C ATOM 409 C6 DT A 13 -5.022 -4.399 -1.589 1.00 0.00 C ATOM 0 H5' DT A 13 -9.349 -6.869 -1.775 1.00 0.00 H new ATOM 0 H5'' DT A 13 -10.647 -5.792 -1.297 1.00 0.00 H new ATOM 0 H4' DT A 13 -9.131 -5.823 0.412 1.00 0.00 H new ATOM 0 H3' DT A 13 -9.551 -3.315 -0.894 1.00 0.00 H new ATOM 0 H2' DT A 13 -7.124 -2.928 -1.109 1.00 0.00 H new ATOM 0 H2'' DT A 13 -7.259 -2.581 0.604 1.00 0.00 H new ATOM 0 H1' DT A 13 -6.633 -4.900 1.218 1.00 0.00 H new ATOM 0 H3 DT A 13 -2.285 -3.662 0.829 1.00 0.00 H new ATOM 0 H71 DT A 13 -2.717 -3.524 -3.795 1.00 0.00 H new ATOM 0 H72 DT A 13 -3.286 -5.209 -3.871 1.00 0.00 H new ATOM 0 H73 DT A 13 -4.442 -3.870 -4.065 1.00 0.00 H new ATOM 0 H6 DT A 13 -5.837 -4.546 -2.282 1.00 0.00 H new ATOM 422 P DG A 14 -10.897 -3.340 1.456 1.00 0.00 P ATOM 423 OP1 DG A 14 -11.513 -4.683 1.379 1.00 0.00 O ATOM 424 OP2 DG A 14 -11.417 -2.227 0.636 1.00 0.00 O ATOM 425 O5' DG A 14 -10.818 -2.856 2.993 1.00 0.00 O ATOM 426 C5' DG A 14 -10.467 -1.520 3.329 1.00 0.00 C ATOM 427 C4' DG A 14 -10.116 -1.423 4.823 1.00 0.00 C ATOM 428 O4' DG A 14 -8.747 -1.789 5.000 1.00 0.00 O ATOM 429 C3' DG A 14 -10.244 0.004 5.381 1.00 0.00 C ATOM 430 O3' DG A 14 -10.580 -0.079 6.764 1.00 0.00 O ATOM 431 C2' DG A 14 -8.830 0.535 5.191 1.00 0.00 C ATOM 432 C1' DG A 14 -8.052 -0.697 5.583 1.00 0.00 C ATOM 433 N9 DG A 14 -6.641 -0.587 5.155 1.00 0.00 N ATOM 434 C8 DG A 14 -5.564 -0.427 5.976 1.00 0.00 C ATOM 435 N7 DG A 14 -4.407 -0.458 5.373 1.00 0.00 N ATOM 436 C5 DG A 14 -4.758 -0.542 4.022 1.00 0.00 C ATOM 437 C6 DG A 14 -3.941 -0.528 2.845 1.00 0.00 C ATOM 438 O6 DG A 14 -2.719 -0.521 2.770 1.00 0.00 O ATOM 439 N1 DG A 14 -4.665 -0.471 1.672 1.00 0.00 N ATOM 440 C2 DG A 14 -6.025 -0.409 1.628 1.00 0.00 C ATOM 441 N2 DG A 14 -6.605 -0.256 0.462 1.00 0.00 N ATOM 442 N3 DG A 14 -6.816 -0.463 2.697 1.00 0.00 N ATOM 443 C4 DG A 14 -6.128 -0.536 3.875 1.00 0.00 C ATOM 0 H5' DG A 14 -11.295 -0.850 3.098 1.00 0.00 H new ATOM 0 H5'' DG A 14 -9.618 -1.197 2.727 1.00 0.00 H new ATOM 0 H4' DG A 14 -10.813 -2.079 5.345 1.00 0.00 H new ATOM 0 H3' DG A 14 -11.003 0.628 4.909 1.00 0.00 H new ATOM 0 H2' DG A 14 -8.633 0.847 4.165 1.00 0.00 H new ATOM 0 H2'' DG A 14 -8.613 1.390 5.831 1.00 0.00 H new ATOM 0 H1' DG A 14 -7.995 -0.834 6.663 1.00 0.00 H new ATOM 0 H8 DG A 14 -5.661 -0.286 7.042 1.00 0.00 H new ATOM 0 H1 DG A 14 -4.154 -0.476 0.789 1.00 0.00 H new ATOM 0 H21 DG A 14 -7.622 -0.207 0.401 1.00 0.00 H new ATOM 0 H22 DG A 14 -6.039 -0.186 -0.384 1.00 0.00 H new ATOM 455 P DG A 15 -10.999 1.213 7.641 1.00 0.00 P ATOM 456 OP1 DG A 15 -11.593 0.738 8.908 1.00 0.00 O ATOM 457 OP2 DG A 15 -11.750 2.138 6.768 1.00 0.00 O ATOM 458 O5' DG A 15 -9.588 1.902 7.997 1.00 0.00 O ATOM 459 C5' DG A 15 -8.722 1.368 8.983 1.00 0.00 C ATOM 460 C4' DG A 15 -7.418 2.176 9.061 1.00 0.00 C ATOM 461 O4' DG A 15 -6.661 1.979 7.874 1.00 0.00 O ATOM 462 C3' DG A 15 -7.671 3.688 9.207 1.00 0.00 C ATOM 463 O3' DG A 15 -6.763 4.260 10.134 1.00 0.00 O ATOM 464 C2' DG A 15 -7.384 4.216 7.807 1.00 0.00 C ATOM 465 C1' DG A 15 -6.277 3.250 7.383 1.00 0.00 C ATOM 466 N9 DG A 15 -5.934 3.185 5.952 1.00 0.00 N ATOM 467 C8 DG A 15 -6.724 3.393 4.859 1.00 0.00 C ATOM 468 N7 DG A 15 -6.116 3.253 3.713 1.00 0.00 N ATOM 469 C5 DG A 15 -4.798 2.971 4.084 1.00 0.00 C ATOM 470 C6 DG A 15 -3.623 2.768 3.292 1.00 0.00 C ATOM 471 O6 DG A 15 -3.528 2.779 2.072 1.00 0.00 O ATOM 472 N1 DG A 15 -2.478 2.564 4.041 1.00 0.00 N ATOM 473 C2 DG A 15 -2.457 2.580 5.406 1.00 0.00 C ATOM 474 N2 DG A 15 -1.304 2.424 6.015 1.00 0.00 N ATOM 475 N3 DG A 15 -3.529 2.771 6.176 1.00 0.00 N ATOM 476 C4 DG A 15 -4.675 2.956 5.454 1.00 0.00 C ATOM 0 H5' DG A 15 -8.497 0.327 8.750 1.00 0.00 H new ATOM 0 H5'' DG A 15 -9.219 1.377 9.953 1.00 0.00 H new ATOM 0 H4' DG A 15 -6.882 1.823 9.942 1.00 0.00 H new ATOM 0 H3' DG A 15 -8.672 3.922 9.570 1.00 0.00 H new ATOM 0 H2' DG A 15 -8.256 4.164 7.155 1.00 0.00 H new ATOM 0 H2'' DG A 15 -7.052 5.254 7.813 1.00 0.00 H new ATOM 0 HO3' DG A 15 -6.938 5.221 10.212 1.00 0.00 H new ATOM 0 H1' DG A 15 -5.347 3.629 7.807 1.00 0.00 H new ATOM 0 H8 DG A 15 -7.769 3.653 4.936 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.602 2.392 3.547 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.260 2.432 7.034 1.00 0.00 H new ATOM 0 H22 DG A 15 -0.452 2.295 5.469 1.00 0.00 H new TER 489 DG A 15