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= -0.0765 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -1.44 (180deg=-3.95!) USER MOD Single : A 1 DG O5' : rot 67:sc= 1.26 USER MOD Single : A 4 DT C7 :methyl -30:sc= -1.51 (180deg=-5.39!) 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 6.842 2.286 2.839 1.00 0.00 O ATOM 2 C5' DG A 1 7.698 2.984 3.736 1.00 0.00 C ATOM 3 C4' DG A 1 7.316 2.803 5.214 1.00 0.00 C ATOM 4 O4' DG A 1 5.957 3.188 5.372 1.00 0.00 O ATOM 5 C3' DG A 1 7.440 1.354 5.699 1.00 0.00 C ATOM 6 O3' DG A 1 7.831 1.352 7.056 1.00 0.00 O ATOM 7 C2' DG A 1 6.018 0.842 5.560 1.00 0.00 C ATOM 8 C1' DG A 1 5.228 2.097 5.910 1.00 0.00 C ATOM 9 N9 DG A 1 3.840 2.051 5.407 1.00 0.00 N ATOM 10 C8 DG A 1 2.718 1.816 6.152 1.00 0.00 C ATOM 11 N7 DG A 1 1.597 1.989 5.507 1.00 0.00 N ATOM 12 C5 DG A 1 2.014 2.270 4.203 1.00 0.00 C ATOM 13 C6 DG A 1 1.248 2.494 3.013 1.00 0.00 C ATOM 14 O6 DG A 1 0.027 2.569 2.908 1.00 0.00 O ATOM 15 N1 DG A 1 2.024 2.627 1.874 1.00 0.00 N ATOM 16 C2 DG A 1 3.393 2.586 1.887 1.00 0.00 C ATOM 17 N2 DG A 1 4.034 2.670 0.744 1.00 0.00 N ATOM 18 N3 DG A 1 4.139 2.443 2.989 1.00 0.00 N ATOM 19 C4 DG A 1 3.390 2.269 4.120 1.00 0.00 C ATOM 0 H5' DG A 1 7.679 4.046 3.491 1.00 0.00 H new ATOM 0 H5'' DG A 1 8.722 2.641 3.589 1.00 0.00 H new ATOM 0 H4' DG A 1 8.003 3.413 5.800 1.00 0.00 H new ATOM 0 H3' DG A 1 8.170 0.756 5.154 1.00 0.00 H new ATOM 0 H2' DG A 1 5.803 0.486 4.552 1.00 0.00 H new ATOM 0 H2'' DG A 1 5.807 0.017 6.241 1.00 0.00 H new ATOM 0 HO5' DG A 1 5.946 2.682 2.867 1.00 0.00 H new ATOM 0 H1' DG A 1 5.122 2.194 6.991 1.00 0.00 H new ATOM 0 H8 DG A 1 2.756 1.513 7.188 1.00 0.00 H new ATOM 0 H1 DG A 1 1.552 2.762 0.980 1.00 0.00 H new ATOM 0 H21 DG A 1 5.053 2.642 0.728 1.00 0.00 H new ATOM 0 H22 DG A 1 3.512 2.763 -0.128 1.00 0.00 H new ATOM 32 P DG A 2 8.349 0.027 7.798 1.00 0.00 P ATOM 33 OP1 DG A 2 8.896 0.469 9.099 1.00 0.00 O ATOM 34 OP2 DG A 2 9.265 -0.685 6.891 1.00 0.00 O ATOM 35 O5' DG A 2 7.050 -0.862 8.110 1.00 0.00 O ATOM 36 C5' DG A 2 6.162 -0.492 9.157 1.00 0.00 C ATOM 37 C4' DG A 2 4.838 -1.263 9.070 1.00 0.00 C ATOM 38 O4' DG A 2 4.067 -0.787 7.968 1.00 0.00 O ATOM 39 C3' DG A 2 5.043 -2.778 8.903 1.00 0.00 C ATOM 40 O3' DG A 2 4.271 -3.512 9.847 1.00 0.00 O ATOM 41 C2' DG A 2 4.529 -3.025 7.490 1.00 0.00 C ATOM 42 C1' DG A 2 3.495 -1.909 7.325 1.00 0.00 C ATOM 43 N9 DG A 2 3.102 -1.614 5.929 1.00 0.00 N ATOM 44 C8 DG A 2 3.896 -1.616 4.819 1.00 0.00 C ATOM 45 N7 DG A 2 3.294 -1.307 3.705 1.00 0.00 N ATOM 46 C5 DG A 2 1.970 -1.133 4.108 1.00 0.00 C ATOM 47 C6 DG A 2 0.809 -0.824 3.333 1.00 0.00 C ATOM 48 O6 DG A 2 0.748 -0.639 2.120 1.00 0.00 O ATOM 49 N1 DG A 2 -0.348 -0.750 4.088 1.00 0.00 N ATOM 50 C2 DG A 2 -0.392 -0.962 5.436 1.00 0.00 C ATOM 51 N2 DG A 2 -1.562 -0.888 6.034 1.00 0.00 N ATOM 52 N3 DG A 2 0.674 -1.264 6.187 1.00 0.00 N ATOM 53 C4 DG A 2 1.835 -1.329 5.465 1.00 0.00 C ATOM 0 H5' DG A 2 5.965 0.579 9.107 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.634 -0.684 10.121 1.00 0.00 H new ATOM 0 H4' DG A 2 4.317 -1.093 10.012 1.00 0.00 H new ATOM 0 H3' DG A 2 6.075 -3.091 9.061 1.00 0.00 H new ATOM 0 H2' DG A 2 5.325 -2.956 6.749 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.082 -4.014 7.386 1.00 0.00 H new ATOM 0 H1' DG A 2 2.547 -2.216 7.768 1.00 0.00 H new ATOM 0 H8 DG A 2 4.948 -1.856 4.861 1.00 0.00 H new ATOM 0 H1 DG A 2 -1.220 -0.524 3.609 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.631 -1.041 7.040 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.400 -0.678 5.491 1.00 0.00 H new HETATM 65 P TAF A 3 4.777 -4.948 10.399 1.00 0.00 P HETATM 66 OP1 TAF A 3 3.780 -5.497 11.344 1.00 0.00 O HETATM 67 OP2 TAF A 3 6.184 -4.806 10.828 1.00 0.00 O HETATM 68 O5' TAF A 3 4.752 -5.866 9.078 1.00 0.00 O HETATM 69 N1 TAF A 3 2.053 -7.702 6.620 1.00 0.00 N HETATM 70 C6 TAF A 3 1.748 -6.510 7.239 1.00 0.00 C HETATM 71 C2 TAF A 3 1.053 -8.466 6.015 1.00 0.00 C HETATM 72 O2 TAF A 3 1.278 -9.461 5.337 1.00 0.00 O HETATM 73 N3 TAF A 3 -0.246 -8.043 6.183 1.00 0.00 N HETATM 74 C4 TAF A 3 -0.634 -6.873 6.791 1.00 0.00 C HETATM 75 O4 TAF A 3 -1.828 -6.600 6.832 1.00 0.00 O HETATM 76 C5 TAF A 3 0.466 -6.061 7.293 1.00 0.00 C HETATM 77 C5M TAF A 3 0.214 -4.626 7.695 1.00 0.00 C HETATM 78 F2' TAF A 3 3.655 -5.954 5.252 1.00 0.00 F HETATM 79 C2' TAF A 3 4.294 -7.140 5.556 1.00 0.00 C HETATM 80 C5' TAF A 3 5.651 -6.958 8.929 1.00 0.00 C HETATM 81 C4' TAF A 3 5.387 -7.730 7.632 1.00 0.00 C HETATM 82 O4' TAF A 3 4.078 -8.271 7.670 1.00 0.00 O HETATM 83 C1' TAF A 3 3.465 -8.116 6.407 1.00 0.00 C HETATM 84 C3' TAF A 3 5.519 -6.832 6.403 1.00 0.00 C HETATM 85 O3' TAF A 3 6.730 -7.098 5.697 1.00 0.00 O HETATM 0 H5'' TAF A 3 6.677 -6.589 8.932 1.00 0.00 H new HETATM 0 H73 TAF A 3 0.608 -4.454 8.697 1.00 0.00 H new HETATM 0 H72 TAF A 3 0.710 -3.958 6.990 1.00 0.00 H new HETATM 0 H71 TAF A 3 -0.858 -4.429 7.688 1.00 0.00 H new HETATM 0 H6 TAF A 3 2.545 -5.919 7.691 1.00 0.00 H new HETATM 0 H5' TAF A 3 5.552 -7.631 9.781 1.00 0.00 H new HETATM 0 H4' TAF A 3 6.130 -8.523 7.555 1.00 0.00 H new HETATM 0 H3' TAF A 3 5.566 -5.776 6.670 1.00 0.00 H new HETATM 0 H3 TAF A 3 -0.984 -8.650 5.826 1.00 0.00 H new HETATM 0 H2' TAF A 3 4.507 -7.602 4.592 1.00 0.00 H new HETATM 0 H1' TAF A 3 3.438 -9.049 5.845 1.00 0.00 H new ATOM 97 P DT A 4 7.453 -5.960 4.803 1.00 0.00 P ATOM 98 OP1 DT A 4 8.761 -6.487 4.363 1.00 0.00 O ATOM 99 OP2 DT A 4 7.372 -4.692 5.557 1.00 0.00 O ATOM 100 O5' DT A 4 6.496 -5.825 3.513 1.00 0.00 O ATOM 101 C5' DT A 4 6.543 -6.762 2.451 1.00 0.00 C ATOM 102 C4' DT A 4 5.839 -6.222 1.201 1.00 0.00 C ATOM 103 O4' DT A 4 4.433 -6.142 1.348 1.00 0.00 O ATOM 104 C3' DT A 4 6.354 -4.825 0.805 1.00 0.00 C ATOM 105 O3' DT A 4 6.522 -4.684 -0.591 1.00 0.00 O ATOM 106 C2' DT A 4 5.157 -3.978 1.180 1.00 0.00 C ATOM 107 C1' DT A 4 4.052 -4.928 0.738 1.00 0.00 C ATOM 108 N1 DT A 4 2.719 -4.505 1.194 1.00 0.00 N ATOM 109 C2 DT A 4 1.743 -4.116 0.277 1.00 0.00 C ATOM 110 O2 DT A 4 1.929 -4.071 -0.943 1.00 0.00 O ATOM 111 N3 DT A 4 0.509 -3.807 0.811 1.00 0.00 N ATOM 112 C4 DT A 4 0.138 -3.914 2.118 1.00 0.00 C ATOM 113 O4 DT A 4 -1.031 -3.671 2.392 1.00 0.00 O ATOM 114 C5 DT A 4 1.210 -4.334 3.012 1.00 0.00 C ATOM 115 C7 DT A 4 0.936 -4.504 4.479 1.00 0.00 C ATOM 116 C6 DT A 4 2.453 -4.593 2.527 1.00 0.00 C ATOM 0 H5' DT A 4 6.070 -7.693 2.764 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.581 -6.995 2.214 1.00 0.00 H new ATOM 0 H4' DT A 4 6.075 -6.944 0.419 1.00 0.00 H new ATOM 0 H3' DT A 4 7.313 -4.589 1.266 1.00 0.00 H new ATOM 0 H2' DT A 4 5.118 -3.752 2.245 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.131 -3.026 0.651 1.00 0.00 H new ATOM 0 H1' DT A 4 3.958 -4.982 -0.347 1.00 0.00 H new ATOM 0 H3 DT A 4 -0.198 -3.463 0.161 1.00 0.00 H new ATOM 0 H71 DT A 4 0.148 -3.816 4.784 1.00 0.00 H new ATOM 0 H72 DT A 4 0.619 -5.528 4.674 1.00 0.00 H new ATOM 0 H73 DT A 4 1.843 -4.291 5.046 1.00 0.00 H new ATOM 0 H6 DT A 4 3.242 -4.873 3.209 1.00 0.00 H new ATOM 129 P DG A 5 7.793 -5.261 -1.372 1.00 0.00 P ATOM 130 OP1 DG A 5 7.542 -6.689 -1.686 1.00 0.00 O ATOM 131 OP2 DG A 5 9.030 -4.930 -0.644 1.00 0.00 O ATOM 132 O5' DG A 5 7.728 -4.406 -2.725 1.00 0.00 O ATOM 133 C5' DG A 5 7.913 -2.998 -2.708 1.00 0.00 C ATOM 134 C4' DG A 5 7.325 -2.385 -3.982 1.00 0.00 C ATOM 135 O4' DG A 5 5.900 -2.443 -3.927 1.00 0.00 O ATOM 136 C3' DG A 5 7.700 -0.904 -4.148 1.00 0.00 C ATOM 137 O3' DG A 5 8.001 -0.672 -5.518 1.00 0.00 O ATOM 138 C2' DG A 5 6.420 -0.196 -3.722 1.00 0.00 C ATOM 139 C1' DG A 5 5.396 -1.172 -4.286 1.00 0.00 C ATOM 140 N9 DG A 5 3.996 -0.966 -3.832 1.00 0.00 N ATOM 141 C8 DG A 5 2.891 -0.882 -4.644 1.00 0.00 C ATOM 142 N7 DG A 5 1.752 -0.822 -4.009 1.00 0.00 N ATOM 143 C5 DG A 5 2.134 -0.788 -2.668 1.00 0.00 C ATOM 144 C6 DG A 5 1.330 -0.687 -1.486 1.00 0.00 C ATOM 145 O6 DG A 5 0.109 -0.624 -1.416 1.00 0.00 O ATOM 146 N1 DG A 5 2.063 -0.669 -0.314 1.00 0.00 N ATOM 147 C2 DG A 5 3.423 -0.744 -0.280 1.00 0.00 C ATOM 148 N2 DG A 5 4.009 -0.736 0.897 1.00 0.00 N ATOM 149 N3 DG A 5 4.200 -0.860 -1.362 1.00 0.00 N ATOM 150 C4 DG A 5 3.503 -0.869 -2.540 1.00 0.00 C ATOM 0 H5' DG A 5 8.975 -2.762 -2.636 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.430 -2.569 -1.830 1.00 0.00 H new ATOM 0 H4' DG A 5 7.730 -2.957 -4.817 1.00 0.00 H new ATOM 0 H3' DG A 5 8.566 -0.571 -3.576 1.00 0.00 H new ATOM 0 H2' DG A 5 6.342 -0.085 -2.640 1.00 0.00 H new ATOM 0 H2'' DG A 5 6.330 0.802 -4.152 1.00 0.00 H new ATOM 0 H1' DG A 5 5.295 -1.034 -5.362 1.00 0.00 H new ATOM 0 H8 DG A 5 2.959 -0.867 -5.722 1.00 0.00 H new ATOM 0 H1 DG A 5 1.560 -0.596 0.570 1.00 0.00 H new ATOM 0 H21 DG A 5 5.026 -0.791 0.961 1.00 0.00 H new ATOM 0 H22 DG A 5 3.447 -0.675 1.746 1.00 0.00 H new ATOM 162 P DG A 6 8.574 0.742 -6.062 1.00 0.00 P ATOM 163 OP1 DG A 6 9.247 0.504 -7.356 1.00 0.00 O ATOM 164 OP2 DG A 6 9.290 1.409 -4.954 1.00 0.00 O ATOM 165 O5' DG A 6 7.226 1.572 -6.348 1.00 0.00 O ATOM 166 C5' DG A 6 6.342 1.191 -7.387 1.00 0.00 C ATOM 167 C4' DG A 6 4.991 1.888 -7.221 1.00 0.00 C ATOM 168 O4' DG A 6 4.395 1.570 -5.974 1.00 0.00 O ATOM 169 C3' DG A 6 5.080 3.415 -7.297 1.00 0.00 C ATOM 170 O3' DG A 6 4.728 3.813 -8.614 1.00 0.00 O ATOM 171 C2' DG A 6 4.105 3.890 -6.210 1.00 0.00 C ATOM 172 C1' DG A 6 3.471 2.599 -5.702 1.00 0.00 C ATOM 173 N9 DG A 6 3.096 2.645 -4.273 1.00 0.00 N ATOM 174 C8 DG A 6 3.876 2.774 -3.143 1.00 0.00 C ATOM 175 N7 DG A 6 3.202 2.766 -2.025 1.00 0.00 N ATOM 176 C5 DG A 6 1.875 2.672 -2.445 1.00 0.00 C ATOM 177 C6 DG A 6 0.658 2.676 -1.693 1.00 0.00 C ATOM 178 O6 DG A 6 0.530 2.758 -0.476 1.00 0.00 O ATOM 179 N1 DG A 6 -0.474 2.598 -2.487 1.00 0.00 N ATOM 180 C2 DG A 6 -0.446 2.567 -3.852 1.00 0.00 C ATOM 181 N2 DG A 6 -1.582 2.549 -4.508 1.00 0.00 N ATOM 182 N3 DG A 6 0.671 2.551 -4.581 1.00 0.00 N ATOM 183 C4 DG A 6 1.802 2.611 -3.817 1.00 0.00 C ATOM 0 H5' DG A 6 6.204 0.110 -7.377 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.775 1.448 -8.354 1.00 0.00 H new ATOM 0 H4' DG A 6 4.389 1.522 -8.053 1.00 0.00 H new ATOM 0 H3' DG A 6 6.067 3.842 -7.119 1.00 0.00 H new ATOM 0 H2' DG A 6 4.623 4.422 -5.412 1.00 0.00 H new ATOM 0 H2'' DG A 6 3.356 4.572 -6.614 1.00 0.00 H new ATOM 0 H1' DG A 6 2.523 2.428 -6.213 1.00 0.00 H new ATOM 0 H8 DG A 6 4.951 2.873 -3.180 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.383 2.562 -2.025 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.582 2.526 -5.528 1.00 0.00 H new ATOM 0 H22 DG A 6 -2.465 2.558 -3.998 1.00 0.00 H new ATOM 195 P DT A 7 4.572 5.353 -9.051 1.00 0.00 P ATOM 196 OP1 DT A 7 4.883 5.480 -10.485 1.00 0.00 O ATOM 197 OP2 DT A 7 5.266 6.202 -8.051 1.00 0.00 O ATOM 198 O5' DT A 7 2.992 5.480 -8.849 1.00 0.00 O ATOM 199 C5' DT A 7 2.271 6.659 -9.143 1.00 0.00 C ATOM 200 C4' DT A 7 0.771 6.345 -9.192 1.00 0.00 C ATOM 201 O4' DT A 7 0.534 5.414 -10.241 1.00 0.00 O ATOM 202 C3' DT A 7 0.251 5.702 -7.893 1.00 0.00 C ATOM 203 O3' DT A 7 -1.098 6.050 -7.660 1.00 0.00 O ATOM 204 C2' DT A 7 0.292 4.219 -8.212 1.00 0.00 C ATOM 205 C1' DT A 7 -0.074 4.261 -9.694 1.00 0.00 C ATOM 206 N1 DT A 7 0.366 3.057 -10.435 1.00 0.00 N ATOM 207 C2 DT A 7 -0.588 2.346 -11.171 1.00 0.00 C ATOM 208 O2 DT A 7 -1.767 2.670 -11.254 1.00 0.00 O ATOM 209 N3 DT A 7 -0.160 1.203 -11.806 1.00 0.00 N ATOM 210 C4 DT A 7 1.123 0.706 -11.781 1.00 0.00 C ATOM 211 O4 DT A 7 1.362 -0.326 -12.395 1.00 0.00 O ATOM 212 C5 DT A 7 2.072 1.506 -11.014 1.00 0.00 C ATOM 213 C7 DT A 7 3.527 1.088 -10.952 1.00 0.00 C ATOM 214 C6 DT A 7 1.674 2.636 -10.374 1.00 0.00 C ATOM 0 H5' DT A 7 2.599 7.069 -10.098 1.00 0.00 H new ATOM 0 H5'' DT A 7 2.470 7.417 -8.386 1.00 0.00 H new ATOM 0 H4' DT A 7 0.253 7.292 -9.343 1.00 0.00 H new ATOM 0 H3' DT A 7 0.830 6.009 -7.022 1.00 0.00 H new ATOM 0 H2' DT A 7 1.275 3.781 -8.037 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.422 3.645 -7.622 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.160 4.289 -9.787 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.853 0.679 -12.341 1.00 0.00 H new ATOM 0 H71 DT A 7 4.155 1.972 -10.837 1.00 0.00 H new ATOM 0 H72 DT A 7 3.678 0.422 -10.102 1.00 0.00 H new ATOM 0 H73 DT A 7 3.796 0.569 -11.872 1.00 0.00 H new ATOM 0 H6 DT A 7 2.394 3.211 -9.810 1.00 0.00 H new ATOM 227 P DG A 8 -1.499 7.475 -7.034 1.00 0.00 P ATOM 228 OP1 DG A 8 -2.840 7.821 -7.546 1.00 0.00 O ATOM 229 OP2 DG A 8 -0.364 8.402 -7.231 1.00 0.00 O ATOM 230 O5' DG A 8 -1.588 7.097 -5.473 1.00 0.00 O ATOM 231 C5' DG A 8 -2.663 6.316 -4.973 1.00 0.00 C ATOM 232 C4' DG A 8 -2.639 6.229 -3.444 1.00 0.00 C ATOM 233 O4' DG A 8 -1.541 5.435 -3.030 1.00 0.00 O ATOM 234 C3' DG A 8 -2.545 7.601 -2.770 1.00 0.00 C ATOM 235 O3' DG A 8 -3.670 7.840 -1.944 1.00 0.00 O ATOM 236 C2' DG A 8 -1.290 7.531 -1.910 1.00 0.00 C ATOM 237 C1' DG A 8 -0.784 6.092 -2.034 1.00 0.00 C ATOM 238 N9 DG A 8 0.639 6.070 -2.438 1.00 0.00 N ATOM 239 C8 DG A 8 1.168 6.128 -3.704 1.00 0.00 C ATOM 240 N7 DG A 8 2.474 6.091 -3.739 1.00 0.00 N ATOM 241 C5 DG A 8 2.841 6.029 -2.391 1.00 0.00 C ATOM 242 C6 DG A 8 4.130 5.973 -1.754 1.00 0.00 C ATOM 243 O6 DG A 8 5.251 5.957 -2.256 1.00 0.00 O ATOM 244 N1 DG A 8 4.061 5.939 -0.371 1.00 0.00 N ATOM 245 C2 DG A 8 2.889 5.949 0.328 1.00 0.00 C ATOM 246 N2 DG A 8 2.947 5.911 1.640 1.00 0.00 N ATOM 247 N3 DG A 8 1.681 6.001 -0.225 1.00 0.00 N ATOM 248 C4 DG A 8 1.719 6.032 -1.590 1.00 0.00 C ATOM 0 H5' DG A 8 -2.610 5.312 -5.395 1.00 0.00 H new ATOM 0 H5'' DG A 8 -3.609 6.749 -5.298 1.00 0.00 H new ATOM 0 H4' DG A 8 -3.583 5.778 -3.138 1.00 0.00 H new ATOM 0 H3' DG A 8 -2.512 8.404 -3.506 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.539 8.241 -2.255 1.00 0.00 H new ATOM 0 H2'' DG A 8 -1.512 7.780 -0.872 1.00 0.00 H new ATOM 0 H1' DG A 8 -0.887 5.596 -1.069 1.00 0.00 H new ATOM 0 H8 DG A 8 0.558 6.198 -4.593 1.00 0.00 H new ATOM 0 H1 DG A 8 4.935 5.905 0.154 1.00 0.00 H new ATOM 0 H21 DG A 8 2.087 5.917 2.189 1.00 0.00 H new ATOM 0 H22 DG A 8 3.852 5.875 2.110 1.00 0.00 H new ATOM 260 P DT A 9 -4.948 8.650 -2.503 1.00 0.00 P ATOM 261 OP1 DT A 9 -5.054 8.414 -3.957 1.00 0.00 O ATOM 262 OP2 DT A 9 -4.873 10.029 -1.979 1.00 0.00 O ATOM 263 O5' DT A 9 -6.171 7.897 -1.789 1.00 0.00 O ATOM 264 C5' DT A 9 -6.802 6.767 -2.373 1.00 0.00 C ATOM 265 C4' DT A 9 -7.879 6.216 -1.434 1.00 0.00 C ATOM 266 O4' DT A 9 -7.233 5.709 -0.276 1.00 0.00 O ATOM 267 C3' DT A 9 -8.867 7.296 -0.965 1.00 0.00 C ATOM 268 O3' DT A 9 -10.191 6.792 -0.860 1.00 0.00 O ATOM 269 C2' DT A 9 -8.361 7.617 0.435 1.00 0.00 C ATOM 270 C1' DT A 9 -7.845 6.253 0.874 1.00 0.00 C ATOM 271 N1 DT A 9 -6.903 6.354 2.020 1.00 0.00 N ATOM 272 C2 DT A 9 -7.459 6.514 3.294 1.00 0.00 C ATOM 273 O2 DT A 9 -8.663 6.506 3.521 1.00 0.00 O ATOM 274 N3 DT A 9 -6.587 6.680 4.343 1.00 0.00 N ATOM 275 C4 DT A 9 -5.214 6.610 4.258 1.00 0.00 C ATOM 276 O4 DT A 9 -4.567 6.709 5.294 1.00 0.00 O ATOM 277 C5 DT A 9 -4.691 6.414 2.908 1.00 0.00 C ATOM 278 C7 DT A 9 -3.192 6.322 2.690 1.00 0.00 C ATOM 279 C6 DT A 9 -5.533 6.306 1.844 1.00 0.00 C ATOM 0 H5' DT A 9 -6.061 5.995 -2.581 1.00 0.00 H new ATOM 0 H5'' DT A 9 -7.249 7.044 -3.328 1.00 0.00 H new ATOM 0 H4' DT A 9 -8.435 5.455 -1.982 1.00 0.00 H new ATOM 0 H3' DT A 9 -8.910 8.141 -1.652 1.00 0.00 H new ATOM 0 H2' DT A 9 -7.575 8.373 0.427 1.00 0.00 H new ATOM 0 H2'' DT A 9 -9.153 7.988 1.085 1.00 0.00 H new ATOM 0 H1' DT A 9 -8.649 5.615 1.241 1.00 0.00 H new ATOM 0 H3 DT A 9 -6.990 6.871 5.260 1.00 0.00 H new ATOM 0 H71 DT A 9 -2.988 5.684 1.830 1.00 0.00 H new ATOM 0 H72 DT A 9 -2.789 7.318 2.507 1.00 0.00 H new ATOM 0 H73 DT A 9 -2.721 5.897 3.576 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.126 6.181 0.851 1.00 0.00 H new ATOM 292 P DG A 10 -11.236 6.913 -2.084 1.00 0.00 P ATOM 293 OP1 DG A 10 -11.119 8.271 -2.656 1.00 0.00 O ATOM 294 OP2 DG A 10 -12.554 6.422 -1.629 1.00 0.00 O ATOM 295 O5' DG A 10 -10.660 5.868 -3.163 1.00 0.00 O ATOM 296 C5' DG A 10 -10.845 4.471 -3.017 1.00 0.00 C ATOM 297 C4' DG A 10 -10.113 3.746 -4.147 1.00 0.00 C ATOM 298 O4' DG A 10 -8.704 3.891 -3.998 1.00 0.00 O ATOM 299 C3' DG A 10 -10.395 2.235 -4.175 1.00 0.00 C ATOM 300 O3' DG A 10 -10.683 1.884 -5.522 1.00 0.00 O ATOM 301 C2' DG A 10 -9.069 1.651 -3.695 1.00 0.00 C ATOM 302 C1' DG A 10 -8.122 2.651 -4.341 1.00 0.00 C ATOM 303 N9 DG A 10 -6.705 2.548 -3.876 1.00 0.00 N ATOM 304 C8 DG A 10 -5.554 2.367 -4.623 1.00 0.00 C ATOM 305 N7 DG A 10 -4.447 2.493 -3.945 1.00 0.00 N ATOM 306 C5 DG A 10 -4.882 2.702 -2.639 1.00 0.00 C ATOM 307 C6 DG A 10 -4.130 2.871 -1.435 1.00 0.00 C ATOM 308 O6 DG A 10 -2.912 2.945 -1.308 1.00 0.00 O ATOM 309 N1 DG A 10 -4.907 2.936 -0.298 1.00 0.00 N ATOM 310 C2 DG A 10 -6.270 2.869 -0.312 1.00 0.00 C ATOM 311 N2 DG A 10 -6.896 2.901 0.845 1.00 0.00 N ATOM 312 N3 DG A 10 -7.002 2.752 -1.422 1.00 0.00 N ATOM 313 C4 DG A 10 -6.258 2.671 -2.569 1.00 0.00 C ATOM 0 H5' DG A 10 -11.907 4.228 -3.041 1.00 0.00 H new ATOM 0 H5'' DG A 10 -10.465 4.141 -2.050 1.00 0.00 H new ATOM 0 H4' DG A 10 -10.478 4.200 -5.068 1.00 0.00 H new ATOM 0 H3' DG A 10 -11.232 1.887 -3.569 1.00 0.00 H new ATOM 0 H2' DG A 10 -8.985 1.633 -2.608 1.00 0.00 H new ATOM 0 H2'' DG A 10 -8.907 0.631 -4.044 1.00 0.00 H new ATOM 0 H1' DG A 10 -8.027 2.484 -5.414 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.571 2.140 -5.679 1.00 0.00 H new ATOM 0 H1 DG A 10 -4.438 3.040 0.602 1.00 0.00 H new ATOM 0 H21 DG A 10 -7.914 2.853 0.875 1.00 0.00 H new ATOM 0 H22 DG A 10 -6.363 2.974 1.711 1.00 0.00 H new ATOM 325 P DG A 11 -11.124 0.396 -5.959 1.00 0.00 P ATOM 326 OP1 DG A 11 -11.892 0.495 -7.219 1.00 0.00 O ATOM 327 OP2 DG A 11 -11.702 -0.272 -4.777 1.00 0.00 O ATOM 328 O5' DG A 11 -9.696 -0.266 -6.301 1.00 0.00 O ATOM 329 C5' DG A 11 -8.976 0.145 -7.449 1.00 0.00 C ATOM 330 C4' DG A 11 -7.595 -0.510 -7.512 1.00 0.00 C ATOM 331 O4' DG A 11 -6.854 -0.154 -6.355 1.00 0.00 O ATOM 332 C3' DG A 11 -7.677 -2.042 -7.591 1.00 0.00 C ATOM 333 O3' DG A 11 -6.856 -2.506 -8.656 1.00 0.00 O ATOM 334 C2' DG A 11 -7.120 -2.492 -6.245 1.00 0.00 C ATOM 335 C1' DG A 11 -6.213 -1.317 -5.883 1.00 0.00 C ATOM 336 N9 DG A 11 -5.860 -1.166 -4.453 1.00 0.00 N ATOM 337 C8 DG A 11 -6.649 -1.177 -3.322 1.00 0.00 C ATOM 338 N7 DG A 11 -5.988 -0.945 -2.220 1.00 0.00 N ATOM 339 C5 DG A 11 -4.671 -0.801 -2.644 1.00 0.00 C ATOM 340 C6 DG A 11 -3.468 -0.589 -1.887 1.00 0.00 C ATOM 341 O6 DG A 11 -3.352 -0.478 -0.678 1.00 0.00 O ATOM 342 N1 DG A 11 -2.332 -0.544 -2.673 1.00 0.00 N ATOM 343 C2 DG A 11 -2.330 -0.712 -4.024 1.00 0.00 C ATOM 344 N2 DG A 11 -1.173 -0.760 -4.647 1.00 0.00 N ATOM 345 N3 DG A 11 -3.432 -0.921 -4.757 1.00 0.00 N ATOM 346 C4 DG A 11 -4.575 -0.947 -4.003 1.00 0.00 C ATOM 0 H5' DG A 11 -8.865 1.229 -7.441 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.542 -0.111 -8.345 1.00 0.00 H new ATOM 0 H4' DG A 11 -7.106 -0.152 -8.418 1.00 0.00 H new ATOM 0 H3' DG A 11 -8.682 -2.421 -7.778 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.907 -2.646 -5.506 1.00 0.00 H new ATOM 0 H2'' DG A 11 -6.567 -3.428 -6.322 1.00 0.00 H new ATOM 0 H1' DG A 11 -5.248 -1.505 -6.353 1.00 0.00 H new ATOM 0 H8 DG A 11 -7.713 -1.360 -3.345 1.00 0.00 H new ATOM 0 H1 DG A 11 -1.438 -0.374 -2.212 1.00 0.00 H new ATOM 0 H21 DG A 11 -1.143 -0.885 -5.659 1.00 0.00 H new ATOM 0 H22 DG A 11 -0.305 -0.672 -4.118 1.00 0.00 H new ATOM 358 P DT A 12 -7.227 -3.827 -9.496 1.00 0.00 P ATOM 359 OP1 DT A 12 -6.088 -4.141 -10.371 1.00 0.00 O ATOM 360 OP2 DT A 12 -8.545 -3.573 -10.126 1.00 0.00 O ATOM 361 O5' DT A 12 -7.306 -4.932 -8.307 1.00 0.00 O ATOM 362 C5' DT A 12 -8.254 -5.990 -8.253 1.00 0.00 C ATOM 363 C4' DT A 12 -8.041 -6.899 -7.022 1.00 0.00 C ATOM 364 O4' DT A 12 -6.764 -7.515 -7.074 1.00 0.00 O ATOM 365 C3' DT A 12 -8.148 -6.135 -5.699 1.00 0.00 C ATOM 366 O3' DT A 12 -9.322 -6.472 -4.968 1.00 0.00 O ATOM 367 C2' DT A 12 -6.904 -6.524 -4.913 1.00 0.00 C ATOM 368 C1' DT A 12 -6.176 -7.548 -5.790 1.00 0.00 C ATOM 369 N1 DT A 12 -4.720 -7.248 -5.912 1.00 0.00 N ATOM 370 C2 DT A 12 -3.816 -8.173 -5.380 1.00 0.00 C ATOM 371 O2 DT A 12 -4.145 -9.251 -4.903 1.00 0.00 O ATOM 372 N3 DT A 12 -2.483 -7.810 -5.366 1.00 0.00 N ATOM 373 C4 DT A 12 -1.988 -6.580 -5.727 1.00 0.00 C ATOM 374 O4 DT A 12 -0.789 -6.349 -5.554 1.00 0.00 O ATOM 375 C5 DT A 12 -2.981 -5.653 -6.250 1.00 0.00 C ATOM 376 C7 DT A 12 -2.570 -4.234 -6.564 1.00 0.00 C ATOM 377 C6 DT A 12 -4.293 -6.021 -6.370 1.00 0.00 C ATOM 0 H5' DT A 12 -8.181 -6.588 -9.161 1.00 0.00 H new ATOM 0 H5'' DT A 12 -9.261 -5.573 -8.225 1.00 0.00 H new ATOM 0 H4' DT A 12 -8.834 -7.647 -7.057 1.00 0.00 H new ATOM 0 H3' DT A 12 -8.216 -5.062 -5.879 1.00 0.00 H new ATOM 0 H2' DT A 12 -6.275 -5.656 -4.717 1.00 0.00 H new ATOM 0 H2'' DT A 12 -7.168 -6.951 -3.945 1.00 0.00 H new ATOM 0 H1' DT A 12 -6.269 -8.531 -5.329 1.00 0.00 H new ATOM 0 H3 DT A 12 -1.810 -8.514 -5.062 1.00 0.00 H new ATOM 0 H71 DT A 12 -1.761 -3.934 -5.898 1.00 0.00 H new ATOM 0 H72 DT A 12 -2.230 -4.174 -7.598 1.00 0.00 H new ATOM 0 H73 DT A 12 -3.422 -3.569 -6.423 1.00 0.00 H new ATOM 0 H6 DT A 12 -5.000 -5.344 -6.827 1.00 0.00 H new ATOM 390 P DT A 13 -10.071 -5.345 -4.085 1.00 0.00 P ATOM 391 OP1 DT A 13 -11.357 -5.988 -3.729 1.00 0.00 O ATOM 392 OP2 DT A 13 -10.066 -4.112 -4.886 1.00 0.00 O ATOM 393 O5' DT A 13 -9.189 -5.141 -2.749 1.00 0.00 O ATOM 394 C5' DT A 13 -9.431 -5.921 -1.586 1.00 0.00 C ATOM 395 C4' DT A 13 -8.692 -5.399 -0.351 1.00 0.00 C ATOM 396 O4' DT A 13 -7.294 -5.625 -0.419 1.00 0.00 O ATOM 397 C3' DT A 13 -8.938 -3.911 -0.046 1.00 0.00 C ATOM 398 O3' DT A 13 -9.452 -3.720 1.259 1.00 0.00 O ATOM 399 C2' DT A 13 -7.528 -3.385 0.012 1.00 0.00 C ATOM 400 C1' DT A 13 -6.686 -4.599 0.344 1.00 0.00 C ATOM 401 N1 DT A 13 -5.306 -4.352 -0.097 1.00 0.00 N ATOM 402 C2 DT A 13 -4.296 -4.025 0.807 1.00 0.00 C ATOM 403 O2 DT A 13 -4.478 -3.938 2.015 1.00 0.00 O ATOM 404 N3 DT A 13 -3.044 -3.808 0.258 1.00 0.00 N ATOM 405 C4 DT A 13 -2.708 -3.908 -1.064 1.00 0.00 C ATOM 406 O4 DT A 13 -1.530 -3.766 -1.389 1.00 0.00 O ATOM 407 C5 DT A 13 -3.842 -4.164 -1.936 1.00 0.00 C ATOM 408 C7 DT A 13 -3.622 -4.187 -3.414 1.00 0.00 C ATOM 409 C6 DT A 13 -5.086 -4.353 -1.438 1.00 0.00 C ATOM 0 H5' DT A 13 -9.127 -6.950 -1.776 1.00 0.00 H new ATOM 0 H5'' DT A 13 -10.502 -5.937 -1.382 1.00 0.00 H new ATOM 0 H4' DT A 13 -9.120 -5.980 0.466 1.00 0.00 H new ATOM 0 H3' DT A 13 -9.625 -3.458 -0.761 1.00 0.00 H new ATOM 0 H2' DT A 13 -7.230 -2.942 -0.938 1.00 0.00 H new ATOM 0 H2'' DT A 13 -7.424 -2.610 0.771 1.00 0.00 H new ATOM 0 H1' DT A 13 -6.639 -4.845 1.405 1.00 0.00 H new ATOM 0 H3 DT A 13 -2.298 -3.548 0.903 1.00 0.00 H new ATOM 0 H71 DT A 13 -2.801 -3.517 -3.670 1.00 0.00 H new ATOM 0 H72 DT A 13 -3.375 -5.201 -3.729 1.00 0.00 H new ATOM 0 H73 DT A 13 -4.529 -3.860 -3.922 1.00 0.00 H new ATOM 0 H6 DT A 13 -5.914 -4.506 -2.114 1.00 0.00 H new ATOM 422 P DG A 14 -10.968 -3.272 1.529 1.00 0.00 P ATOM 423 OP1 DG A 14 -11.819 -4.481 1.489 1.00 0.00 O ATOM 424 OP2 DG A 14 -11.262 -2.126 0.644 1.00 0.00 O ATOM 425 O5' DG A 14 -10.864 -2.736 3.053 1.00 0.00 O ATOM 426 C5' DG A 14 -10.512 -1.390 3.351 1.00 0.00 C ATOM 427 C4' DG A 14 -10.175 -1.230 4.843 1.00 0.00 C ATOM 428 O4' DG A 14 -8.822 -1.629 5.058 1.00 0.00 O ATOM 429 C3' DG A 14 -10.273 0.229 5.322 1.00 0.00 C ATOM 430 O3' DG A 14 -10.675 0.239 6.688 1.00 0.00 O ATOM 431 C2' DG A 14 -8.836 0.703 5.172 1.00 0.00 C ATOM 432 C1' DG A 14 -8.102 -0.541 5.614 1.00 0.00 C ATOM 433 N9 DG A 14 -6.684 -0.494 5.193 1.00 0.00 N ATOM 434 C8 DG A 14 -5.602 -0.334 6.010 1.00 0.00 C ATOM 435 N7 DG A 14 -4.445 -0.399 5.409 1.00 0.00 N ATOM 436 C5 DG A 14 -4.797 -0.510 4.061 1.00 0.00 C ATOM 437 C6 DG A 14 -3.984 -0.529 2.883 1.00 0.00 C ATOM 438 O6 DG A 14 -2.758 -0.535 2.810 1.00 0.00 O ATOM 439 N1 DG A 14 -4.709 -0.488 1.707 1.00 0.00 N ATOM 440 C2 DG A 14 -6.071 -0.414 1.667 1.00 0.00 C ATOM 441 N2 DG A 14 -6.659 -0.286 0.501 1.00 0.00 N ATOM 442 N3 DG A 14 -6.859 -0.445 2.738 1.00 0.00 N ATOM 443 C4 DG A 14 -6.169 -0.494 3.915 1.00 0.00 C ATOM 0 H5' DG A 14 -11.336 -0.727 3.087 1.00 0.00 H new ATOM 0 H5'' DG A 14 -9.656 -1.091 2.746 1.00 0.00 H new ATOM 0 H4' DG A 14 -10.893 -1.839 5.392 1.00 0.00 H new ATOM 0 H3' DG A 14 -10.988 0.849 4.781 1.00 0.00 H new ATOM 0 H2' DG A 14 -8.596 0.987 4.147 1.00 0.00 H new ATOM 0 H2'' DG A 14 -8.613 1.564 5.802 1.00 0.00 H new ATOM 0 H1' DG A 14 -8.062 -0.640 6.699 1.00 0.00 H new ATOM 0 H8 DG A 14 -5.696 -0.166 7.073 1.00 0.00 H new ATOM 0 H1 DG A 14 -4.200 -0.514 0.824 1.00 0.00 H new ATOM 0 H21 DG A 14 -7.676 -0.229 0.446 1.00 0.00 H new ATOM 0 H22 DG A 14 -6.099 -0.244 -0.351 1.00 0.00 H new ATOM 455 P DG A 15 -11.099 1.593 7.464 1.00 0.00 P ATOM 456 OP1 DG A 15 -11.798 1.213 8.709 1.00 0.00 O ATOM 457 OP2 DG A 15 -11.745 2.501 6.494 1.00 0.00 O ATOM 458 O5' DG A 15 -9.687 2.241 7.880 1.00 0.00 O ATOM 459 C5' DG A 15 -8.885 1.681 8.904 1.00 0.00 C ATOM 460 C4' DG A 15 -7.542 2.418 9.000 1.00 0.00 C ATOM 461 O4' DG A 15 -6.758 2.159 7.841 1.00 0.00 O ATOM 462 C3' DG A 15 -7.728 3.943 9.101 1.00 0.00 C ATOM 463 O3' DG A 15 -6.808 4.505 10.020 1.00 0.00 O ATOM 464 C2' DG A 15 -7.388 4.425 7.698 1.00 0.00 C ATOM 465 C1' DG A 15 -6.315 3.402 7.325 1.00 0.00 C ATOM 466 N9 DG A 15 -5.955 3.293 5.902 1.00 0.00 N ATOM 467 C8 DG A 15 -6.730 3.502 4.797 1.00 0.00 C ATOM 468 N7 DG A 15 -6.117 3.323 3.660 1.00 0.00 N ATOM 469 C5 DG A 15 -4.809 3.023 4.051 1.00 0.00 C ATOM 470 C6 DG A 15 -3.632 2.793 3.270 1.00 0.00 C ATOM 471 O6 DG A 15 -3.528 2.793 2.052 1.00 0.00 O ATOM 472 N1 DG A 15 -2.495 2.580 4.030 1.00 0.00 N ATOM 473 C2 DG A 15 -2.484 2.612 5.394 1.00 0.00 C ATOM 474 N2 DG A 15 -1.334 2.438 6.007 1.00 0.00 N ATOM 475 N3 DG A 15 -3.557 2.835 6.154 1.00 0.00 N ATOM 476 C4 DG A 15 -4.696 3.027 5.421 1.00 0.00 C ATOM 0 H5' DG A 15 -8.713 0.624 8.702 1.00 0.00 H new ATOM 0 H5'' DG A 15 -9.409 1.742 9.858 1.00 0.00 H new ATOM 0 H4' DG A 15 -7.048 2.053 9.901 1.00 0.00 H new ATOM 0 H3' DG A 15 -8.726 4.221 9.441 1.00 0.00 H new ATOM 0 H2' DG A 15 -8.246 4.394 7.026 1.00 0.00 H new ATOM 0 H2'' DG A 15 -7.012 5.448 7.687 1.00 0.00 H new ATOM 0 HO3' DG A 15 -6.943 5.475 10.067 1.00 0.00 H new ATOM 0 H1' DG A 15 -5.377 3.746 7.762 1.00 0.00 H new ATOM 0 H8 DG A 15 -7.768 3.793 4.860 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.619 2.389 3.544 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.291 2.456 7.026 1.00 0.00 H new ATOM 0 H22 DG A 15 -0.485 2.285 5.464 1.00 0.00 H new TER 489 DG A 15