USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 185 hydrogens (13 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 NoAdj-H: A 4 DT H3 : A 4 DT N3 : B 13 EDI C11 :(H bumps) USER MOD Set 1.1: A 4 DT C7 :methyl -30:sc=-0.00179 (180deg=0) USER MOD Set 1.2: A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DC O5' : rot 180:sc= -0.751 USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 180:sc=-0.000624 USER MOD Single : B 15 DT C7 :methyl -30:sc= 0 (180deg=-0.0285) USER MOD Single : B 16 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 11.106 -3.155 8.959 1.00 0.69 O ATOM 2 C5' DC A 1 11.255 -3.891 10.177 1.00 0.63 C ATOM 3 C4' DC A 1 9.910 -4.275 10.751 1.00 0.61 C ATOM 4 O4' DC A 1 9.195 -3.067 11.108 1.00 0.54 O ATOM 5 C3' DC A 1 8.992 -5.034 9.793 1.00 0.60 C ATOM 6 O3' DC A 1 8.180 -5.972 10.511 1.00 0.64 O ATOM 7 C2' DC A 1 8.133 -3.938 9.192 1.00 0.53 C ATOM 8 C1' DC A 1 8.015 -2.938 10.328 1.00 0.49 C ATOM 9 N1 DC A 1 7.911 -1.535 9.893 1.00 0.42 N ATOM 10 C2 DC A 1 6.739 -0.828 10.172 1.00 0.42 C ATOM 11 O2 DC A 1 5.822 -1.402 10.775 1.00 0.49 O ATOM 12 N3 DC A 1 6.635 0.461 9.778 1.00 0.38 N ATOM 13 C4 DC A 1 7.645 1.044 9.129 1.00 0.36 C ATOM 14 N4 DC A 1 7.498 2.317 8.760 1.00 0.36 N ATOM 15 C5 DC A 1 8.852 0.346 8.829 1.00 0.37 C ATOM 16 C6 DC A 1 8.940 -0.930 9.227 1.00 0.40 C ATOM 0 H5' DC A 1 11.805 -3.292 10.902 1.00 0.63 H new ATOM 0 H5'' DC A 1 11.845 -4.789 9.993 1.00 0.63 H new ATOM 0 H4' DC A 1 10.137 -4.930 11.592 1.00 0.61 H new ATOM 0 H3' DC A 1 9.536 -5.611 9.045 1.00 0.60 H new ATOM 0 H2' DC A 1 8.600 -3.496 8.312 1.00 0.53 H new ATOM 0 H2'' DC A 1 7.158 -4.313 8.881 1.00 0.53 H new ATOM 0 HO5' DC A 1 11.990 -2.918 8.610 1.00 0.69 H new ATOM 0 H1' DC A 1 7.096 -3.161 10.870 1.00 0.49 H new ATOM 0 H41 DC A 1 8.250 2.794 8.262 1.00 0.36 H new ATOM 0 H42 DC A 1 6.634 2.814 8.976 1.00 0.36 H new ATOM 0 H5 DC A 1 9.663 0.827 8.302 1.00 0.37 H new ATOM 0 H6 DC A 1 9.839 -1.490 9.018 1.00 0.40 H new ATOM 29 P DA A 2 7.142 -6.907 9.712 1.00 0.65 P ATOM 30 OP1 DA A 2 6.827 -8.064 10.588 1.00 0.72 O ATOM 31 OP2 DA A 2 7.680 -7.147 8.348 1.00 0.69 O ATOM 32 O5' DA A 2 5.830 -6.011 9.581 1.00 0.56 O ATOM 33 C5' DA A 2 5.058 -5.668 10.733 1.00 0.53 C ATOM 34 C4' DA A 2 3.689 -5.172 10.325 1.00 0.46 C ATOM 35 O4' DA A 2 3.801 -3.792 9.904 1.00 0.42 O ATOM 36 C3' DA A 2 3.027 -5.926 9.164 1.00 0.47 C ATOM 37 O3' DA A 2 1.721 -6.363 9.571 1.00 0.45 O ATOM 38 C2' DA A 2 2.969 -4.906 8.039 1.00 0.42 C ATOM 39 C1' DA A 2 2.995 -3.584 8.765 1.00 0.38 C ATOM 40 N9 DA A 2 3.579 -2.494 7.992 1.00 0.35 N ATOM 41 C8 DA A 2 4.611 -2.586 7.098 1.00 0.38 C ATOM 42 N7 DA A 2 4.956 -1.439 6.566 1.00 0.35 N ATOM 43 C5 DA A 2 4.076 -0.531 7.140 1.00 0.30 C ATOM 44 C6 DA A 2 3.916 0.855 6.990 1.00 0.27 C ATOM 45 N6 DA A 2 4.678 1.608 6.193 1.00 0.27 N ATOM 46 N1 DA A 2 2.936 1.454 7.700 1.00 0.25 N ATOM 47 C2 DA A 2 2.176 0.701 8.507 1.00 0.25 C ATOM 48 N3 DA A 2 2.237 -0.606 8.739 1.00 0.28 N ATOM 49 C4 DA A 2 3.218 -1.170 8.015 1.00 0.30 C ATOM 0 H5' DA A 2 5.574 -4.899 11.308 1.00 0.53 H new ATOM 0 H5'' DA A 2 4.958 -6.537 11.383 1.00 0.53 H new ATOM 0 H4' DA A 2 3.065 -5.324 11.206 1.00 0.46 H new ATOM 0 H3' DA A 2 3.565 -6.821 8.851 1.00 0.47 H new ATOM 0 H2' DA A 2 3.815 -5.008 7.360 1.00 0.42 H new ATOM 0 H2'' DA A 2 2.065 -5.018 7.441 1.00 0.42 H new ATOM 0 H1' DA A 2 1.969 -3.287 8.984 1.00 0.38 H new ATOM 0 H8 DA A 2 5.097 -3.519 6.853 1.00 0.38 H new ATOM 0 H61 DA A 2 4.511 2.612 6.127 1.00 0.27 H new ATOM 0 H62 DA A 2 5.427 1.179 5.650 1.00 0.27 H new ATOM 0 H2 DA A 2 1.405 1.232 9.045 1.00 0.25 H new ATOM 61 P DG A 3 0.608 -6.732 8.468 1.00 0.49 P ATOM 62 OP1 DG A 3 -0.310 -7.718 9.093 1.00 0.60 O ATOM 63 OP2 DG A 3 1.283 -7.070 7.189 1.00 0.55 O ATOM 64 O5' DG A 3 -0.199 -5.371 8.278 1.00 0.50 O ATOM 65 C5' DG A 3 -0.718 -4.664 9.409 1.00 0.48 C ATOM 66 C4' DG A 3 -1.738 -3.640 8.968 1.00 0.35 C ATOM 67 O4' DG A 3 -1.038 -2.471 8.472 1.00 0.39 O ATOM 68 C3' DG A 3 -2.674 -4.097 7.847 1.00 0.34 C ATOM 69 O3' DG A 3 -4.026 -3.737 8.149 1.00 0.35 O ATOM 70 C2' DG A 3 -2.176 -3.354 6.622 1.00 0.32 C ATOM 71 C1' DG A 3 -1.497 -2.124 7.178 1.00 0.34 C ATOM 72 N9 DG A 3 -0.346 -1.701 6.390 1.00 0.35 N ATOM 73 C8 DG A 3 0.652 -2.510 5.914 1.00 0.35 C ATOM 74 N7 DG A 3 1.568 -1.865 5.246 1.00 0.36 N ATOM 75 C5 DG A 3 1.140 -0.544 5.273 1.00 0.36 C ATOM 76 C6 DG A 3 1.722 0.621 4.710 1.00 0.36 C ATOM 77 O6 DG A 3 2.770 0.724 4.062 1.00 0.37 O ATOM 78 N1 DG A 3 0.954 1.751 4.968 1.00 0.36 N ATOM 79 C2 DG A 3 -0.220 1.762 5.677 1.00 0.35 C ATOM 80 N2 DG A 3 -0.817 2.952 5.807 1.00 0.35 N ATOM 81 N3 DG A 3 -0.770 0.686 6.215 1.00 0.35 N ATOM 82 C4 DG A 3 -0.042 -0.425 5.973 1.00 0.35 C ATOM 0 H5' DG A 3 0.095 -4.171 9.942 1.00 0.48 H new ATOM 0 H5'' DG A 3 -1.176 -5.366 10.106 1.00 0.48 H new ATOM 0 H4' DG A 3 -2.352 -3.449 9.848 1.00 0.35 H new ATOM 0 H3' DG A 3 -2.669 -5.178 7.706 1.00 0.34 H new ATOM 0 H2' DG A 3 -1.482 -3.963 6.043 1.00 0.32 H new ATOM 0 H2'' DG A 3 -2.998 -3.088 5.957 1.00 0.32 H new ATOM 0 H1' DG A 3 -2.210 -1.299 7.172 1.00 0.34 H new ATOM 0 H8 DG A 3 0.678 -3.577 6.076 1.00 0.35 H new ATOM 0 H1 DG A 3 1.290 2.642 4.601 1.00 0.36 H new ATOM 0 H21 DG A 3 -1.694 3.029 6.323 1.00 0.35 H new ATOM 0 H22 DG A 3 -0.396 3.782 5.390 1.00 0.35 H new ATOM 94 P DT A 4 -5.234 -4.407 7.325 1.00 0.36 P ATOM 95 OP1 DT A 4 -6.298 -4.757 8.301 1.00 0.46 O ATOM 96 OP2 DT A 4 -4.683 -5.458 6.432 1.00 0.35 O ATOM 97 O5' DT A 4 -5.768 -3.216 6.413 1.00 0.28 O ATOM 98 C5' DT A 4 -6.221 -1.996 6.998 1.00 0.28 C ATOM 99 C4' DT A 4 -5.961 -0.838 6.062 1.00 0.26 C ATOM 100 O4' DT A 4 -4.579 -0.883 5.634 1.00 0.23 O ATOM 101 C3' DT A 4 -6.808 -0.826 4.784 1.00 0.26 C ATOM 102 O3' DT A 4 -7.593 0.369 4.728 1.00 0.27 O ATOM 103 C2' DT A 4 -5.795 -0.855 3.650 1.00 0.23 C ATOM 104 C1' DT A 4 -4.504 -0.419 4.306 1.00 0.22 C ATOM 105 N1 DT A 4 -3.287 -0.976 3.686 1.00 0.21 N ATOM 106 C2 DT A 4 -2.298 -0.095 3.319 1.00 0.20 C ATOM 107 O2 DT A 4 -2.382 1.106 3.523 1.00 0.20 O ATOM 108 N3 DT A 4 -1.203 -0.660 2.704 1.00 0.20 N ATOM 109 C4 DT A 4 -1.031 -2.012 2.443 1.00 0.20 C ATOM 110 O4 DT A 4 -0.012 -2.397 1.872 1.00 0.21 O ATOM 111 C5 DT A 4 -2.105 -2.880 2.868 1.00 0.22 C ATOM 112 C7 DT A 4 -2.023 -4.340 2.544 1.00 0.24 C ATOM 113 C6 DT A 4 -3.164 -2.331 3.472 1.00 0.22 C ATOM 0 H5' DT A 4 -5.711 -1.828 7.946 1.00 0.28 H new ATOM 0 H5'' DT A 4 -7.287 -2.063 7.217 1.00 0.28 H new ATOM 0 H4' DT A 4 -6.220 0.051 6.636 1.00 0.26 H new ATOM 0 H3' DT A 4 -7.503 -1.664 4.733 1.00 0.26 H new ATOM 0 H2' DT A 4 -5.707 -1.852 3.218 1.00 0.23 H new ATOM 0 H2'' DT A 4 -6.080 -0.181 2.842 1.00 0.23 H new ATOM 0 H1' DT A 4 -4.415 0.663 4.210 1.00 0.22 H new ATOM 0 H71 DT A 4 -1.466 -4.476 1.617 1.00 0.24 H new ATOM 0 H72 DT A 4 -1.515 -4.864 3.353 1.00 0.24 H new ATOM 0 H73 DT A 4 -3.029 -4.743 2.426 1.00 0.24 H new ATOM 0 H6 DT A 4 -3.960 -2.980 3.807 1.00 0.22 H new ATOM 125 P DT A 5 -8.825 0.469 3.699 1.00 0.30 P ATOM 126 OP1 DT A 5 -9.841 1.362 4.313 1.00 0.32 O ATOM 127 OP2 DT A 5 -9.211 -0.903 3.281 1.00 0.34 O ATOM 128 O5' DT A 5 -8.206 1.217 2.436 1.00 0.30 O ATOM 129 C5' DT A 5 -7.466 2.427 2.592 1.00 0.37 C ATOM 130 C4' DT A 5 -6.850 2.839 1.275 1.00 0.35 C ATOM 131 O4' DT A 5 -5.660 2.050 1.049 1.00 0.32 O ATOM 132 C3' DT A 5 -7.741 2.634 0.044 1.00 0.34 C ATOM 133 O3' DT A 5 -7.963 3.886 -0.614 1.00 0.46 O ATOM 134 C2' DT A 5 -6.950 1.696 -0.854 1.00 0.25 C ATOM 135 C1' DT A 5 -5.537 1.800 -0.333 1.00 0.25 C ATOM 136 N1 DT A 5 -4.725 0.583 -0.507 1.00 0.22 N ATOM 137 C2 DT A 5 -3.513 0.702 -1.148 1.00 0.24 C ATOM 138 O2 DT A 5 -3.090 1.761 -1.579 1.00 0.27 O ATOM 139 N3 DT A 5 -2.813 -0.466 -1.268 1.00 0.28 N ATOM 140 C4 DT A 5 -3.194 -1.715 -0.829 1.00 0.27 C ATOM 141 O4 DT A 5 -2.450 -2.675 -1.003 1.00 0.33 O ATOM 142 C5 DT A 5 -4.482 -1.773 -0.172 1.00 0.22 C ATOM 143 C7 DT A 5 -5.000 -3.099 0.290 1.00 0.22 C ATOM 144 C6 DT A 5 -5.177 -0.635 -0.038 1.00 0.21 C ATOM 0 H5' DT A 5 -6.685 2.290 3.339 1.00 0.37 H new ATOM 0 H5'' DT A 5 -8.121 3.217 2.958 1.00 0.37 H new ATOM 0 H4' DT A 5 -6.664 3.909 1.373 1.00 0.35 H new ATOM 0 H3' DT A 5 -8.720 2.229 0.300 1.00 0.34 H new ATOM 0 H2' DT A 5 -7.324 0.674 -0.793 1.00 0.25 H new ATOM 0 H2'' DT A 5 -7.013 1.996 -1.900 1.00 0.25 H new ATOM 0 H1' DT A 5 -5.024 2.580 -0.895 1.00 0.25 H new ATOM 0 H3 DT A 5 -1.908 -0.406 -1.734 1.00 0.28 H new ATOM 0 H71 DT A 5 -5.632 -2.957 1.167 1.00 0.22 H new ATOM 0 H72 DT A 5 -5.584 -3.559 -0.507 1.00 0.22 H new ATOM 0 H73 DT A 5 -4.162 -3.747 0.547 1.00 0.22 H new ATOM 0 H6 DT A 5 -6.135 -0.672 0.460 1.00 0.21 H new ATOM 157 P DC A 6 -8.876 3.944 -1.936 1.00 0.56 P ATOM 158 OP1 DC A 6 -9.736 5.149 -1.828 1.00 0.82 O ATOM 159 OP2 DC A 6 -9.502 2.613 -2.143 1.00 0.63 O ATOM 160 O5' DC A 6 -7.834 4.188 -3.116 1.00 0.42 O ATOM 161 C5' DC A 6 -6.797 5.162 -2.993 1.00 0.34 C ATOM 162 C4' DC A 6 -5.719 4.909 -4.021 1.00 0.25 C ATOM 163 O4' DC A 6 -5.146 3.604 -3.771 1.00 0.22 O ATOM 164 C3' DC A 6 -6.204 4.902 -5.474 1.00 0.25 C ATOM 165 O3' DC A 6 -5.373 5.752 -6.275 1.00 0.24 O ATOM 166 C2' DC A 6 -6.070 3.453 -5.914 1.00 0.22 C ATOM 167 C1' DC A 6 -5.022 2.887 -4.981 1.00 0.19 C ATOM 168 N1 DC A 6 -5.185 1.457 -4.675 1.00 0.20 N ATOM 169 C2 DC A 6 -4.080 0.613 -4.796 1.00 0.23 C ATOM 170 O2 DC A 6 -3.003 1.085 -5.185 1.00 0.27 O ATOM 171 N3 DC A 6 -4.212 -0.697 -4.491 1.00 0.24 N ATOM 172 C4 DC A 6 -5.390 -1.170 -4.079 1.00 0.22 C ATOM 173 N4 DC A 6 -5.467 -2.467 -3.774 1.00 0.24 N ATOM 174 C5 DC A 6 -6.539 -0.334 -3.958 1.00 0.22 C ATOM 175 C6 DC A 6 -6.393 0.961 -4.268 1.00 0.22 C ATOM 0 H5' DC A 6 -6.370 5.125 -1.991 1.00 0.34 H new ATOM 0 H5'' DC A 6 -7.210 6.162 -3.127 1.00 0.34 H new ATOM 0 H4' DC A 6 -5.013 5.732 -3.915 1.00 0.25 H new ATOM 0 H3' DC A 6 -7.225 5.271 -5.578 1.00 0.25 H new ATOM 0 H2' DC A 6 -7.016 2.919 -5.824 1.00 0.22 H new ATOM 0 H2'' DC A 6 -5.760 3.379 -6.956 1.00 0.22 H new ATOM 0 H1' DC A 6 -4.052 2.985 -5.469 1.00 0.19 H new ATOM 0 H41 DC A 6 -6.351 -2.864 -3.456 1.00 0.24 H new ATOM 0 H42 DC A 6 -4.642 -3.061 -3.859 1.00 0.24 H new ATOM 0 H5 DC A 6 -7.489 -0.729 -3.630 1.00 0.22 H new ATOM 0 H6 DC A 6 -7.243 1.624 -4.195 1.00 0.22 H new ATOM 187 P DC A 7 -5.593 5.817 -7.868 1.00 0.27 P ATOM 188 OP1 DC A 7 -5.029 7.107 -8.341 1.00 0.31 O ATOM 189 OP2 DC A 7 -7.010 5.484 -8.163 1.00 0.31 O ATOM 190 O5' DC A 7 -4.679 4.638 -8.432 1.00 0.25 O ATOM 191 C5' DC A 7 -3.254 4.728 -8.390 1.00 0.34 C ATOM 192 C4' DC A 7 -2.633 3.644 -9.240 1.00 0.31 C ATOM 193 O4' DC A 7 -2.812 2.373 -8.576 1.00 0.30 O ATOM 194 C3' DC A 7 -3.231 3.484 -10.642 1.00 0.30 C ATOM 195 O3' DC A 7 -2.210 3.681 -11.627 1.00 0.36 O ATOM 196 C2' DC A 7 -3.740 2.049 -10.685 1.00 0.26 C ATOM 197 C1' DC A 7 -3.000 1.374 -9.552 1.00 0.27 C ATOM 198 N1 DC A 7 -3.705 0.251 -8.913 1.00 0.27 N ATOM 199 C2 DC A 7 -2.991 -0.915 -8.633 1.00 0.32 C ATOM 200 O2 DC A 7 -1.795 -0.974 -8.949 1.00 0.35 O ATOM 201 N3 DC A 7 -3.619 -1.947 -8.028 1.00 0.35 N ATOM 202 C4 DC A 7 -4.909 -1.846 -7.707 1.00 0.34 C ATOM 203 N4 DC A 7 -5.483 -2.887 -7.102 1.00 0.39 N ATOM 204 C5 DC A 7 -5.667 -0.672 -7.989 1.00 0.29 C ATOM 205 C6 DC A 7 -5.030 0.343 -8.588 1.00 0.26 C ATOM 0 H5' DC A 7 -2.907 4.635 -7.361 1.00 0.34 H new ATOM 0 H5'' DC A 7 -2.934 5.707 -8.747 1.00 0.34 H new ATOM 0 H4' DC A 7 -1.592 3.944 -9.361 1.00 0.31 H new ATOM 0 H3' DC A 7 -4.023 4.205 -10.847 1.00 0.30 H new ATOM 0 H2' DC A 7 -4.820 2.002 -10.543 1.00 0.26 H new ATOM 0 H2'' DC A 7 -3.524 1.576 -11.643 1.00 0.26 H new ATOM 0 H1' DC A 7 -2.087 0.945 -9.965 1.00 0.27 H new ATOM 0 H41 DC A 7 -6.468 -2.846 -6.842 1.00 0.39 H new ATOM 0 H42 DC A 7 -4.937 -3.724 -6.900 1.00 0.39 H new ATOM 0 H5 DC A 7 -6.713 -0.604 -7.730 1.00 0.29 H new ATOM 0 H6 DC A 7 -5.572 1.249 -8.818 1.00 0.26 H new ATOM 217 P DA A 8 -2.612 3.942 -13.161 1.00 0.43 P ATOM 218 OP1 DA A 8 -2.500 5.402 -13.402 1.00 0.58 O ATOM 219 OP2 DA A 8 -3.895 3.249 -13.446 1.00 0.44 O ATOM 220 O5' DA A 8 -1.458 3.215 -13.986 1.00 0.40 O ATOM 221 C5' DA A 8 -0.092 3.614 -13.846 1.00 0.40 C ATOM 222 C4' DA A 8 0.827 2.435 -14.073 1.00 0.45 C ATOM 223 O4' DA A 8 0.308 1.290 -13.357 1.00 0.45 O ATOM 224 C3' DA A 8 0.975 1.996 -15.530 1.00 0.51 C ATOM 225 O3' DA A 8 2.316 1.587 -15.804 1.00 0.55 O ATOM 226 C2' DA A 8 0.026 0.819 -15.660 1.00 0.48 C ATOM 227 C1' DA A 8 -0.076 0.258 -14.251 1.00 0.45 C ATOM 228 N9 DA A 8 -1.430 -0.156 -13.890 1.00 0.43 N ATOM 229 C8 DA A 8 -2.583 0.556 -14.095 1.00 0.44 C ATOM 230 N7 DA A 8 -3.664 -0.054 -13.676 1.00 0.43 N ATOM 231 C5 DA A 8 -3.190 -1.252 -13.159 1.00 0.41 C ATOM 232 C6 DA A 8 -3.838 -2.345 -12.561 1.00 0.41 C ATOM 233 N6 DA A 8 -5.158 -2.415 -12.380 1.00 0.42 N ATOM 234 N1 DA A 8 -3.075 -3.381 -12.151 1.00 0.42 N ATOM 235 C2 DA A 8 -1.749 -3.313 -12.337 1.00 0.42 C ATOM 236 N3 DA A 8 -1.025 -2.341 -12.888 1.00 0.42 N ATOM 237 C4 DA A 8 -1.815 -1.327 -13.282 1.00 0.41 C ATOM 0 H5' DA A 8 0.073 4.026 -12.850 1.00 0.40 H new ATOM 0 H5'' DA A 8 0.138 4.405 -14.560 1.00 0.40 H new ATOM 0 H4' DA A 8 1.805 2.771 -13.727 1.00 0.45 H new ATOM 0 H3' DA A 8 0.750 2.800 -16.231 1.00 0.51 H new ATOM 0 H2' DA A 8 -0.948 1.134 -16.034 1.00 0.48 H new ATOM 0 H2'' DA A 8 0.410 0.074 -16.357 1.00 0.48 H new ATOM 0 HO3' DA A 8 2.388 1.309 -16.741 1.00 0.55 H new ATOM 0 H1' DA A 8 0.562 -0.624 -14.197 1.00 0.45 H new ATOM 0 H8 DA A 8 -2.599 1.531 -14.560 1.00 0.44 H new ATOM 0 H61 DA A 8 -5.569 -3.237 -11.939 1.00 0.42 H new ATOM 0 H62 DA A 8 -5.756 -1.646 -12.683 1.00 0.42 H new ATOM 0 H2 DA A 8 -1.188 -4.169 -11.991 1.00 0.42 H new TER 250 DA A 8 ATOM 251 O5' DT B 9 -5.385 -11.216 -9.481 1.00 0.55 O ATOM 252 C5' DT B 9 -4.307 -11.872 -10.158 1.00 0.47 C ATOM 253 C4' DT B 9 -3.024 -11.085 -10.031 1.00 0.44 C ATOM 254 O4' DT B 9 -3.156 -9.853 -10.782 1.00 0.42 O ATOM 255 C3' DT B 9 -2.661 -10.666 -8.605 1.00 0.46 C ATOM 256 O3' DT B 9 -1.240 -10.680 -8.425 1.00 0.50 O ATOM 257 C2' DT B 9 -3.196 -9.249 -8.515 1.00 0.46 C ATOM 258 C1' DT B 9 -2.966 -8.738 -9.924 1.00 0.43 C ATOM 259 N1 DT B 9 -3.891 -7.671 -10.352 1.00 0.41 N ATOM 260 C2 DT B 9 -3.351 -6.475 -10.766 1.00 0.44 C ATOM 261 O2 DT B 9 -2.151 -6.261 -10.797 1.00 0.49 O ATOM 262 N3 DT B 9 -4.269 -5.533 -11.143 1.00 0.45 N ATOM 263 C4 DT B 9 -5.641 -5.662 -11.149 1.00 0.45 C ATOM 264 O4 DT B 9 -6.340 -4.720 -11.510 1.00 0.50 O ATOM 265 C5 DT B 9 -6.142 -6.944 -10.706 1.00 0.44 C ATOM 266 C7 DT B 9 -7.621 -7.175 -10.679 1.00 0.51 C ATOM 267 C6 DT B 9 -5.255 -7.878 -10.333 1.00 0.41 C ATOM 0 H5' DT B 9 -4.558 -11.997 -11.211 1.00 0.47 H new ATOM 0 H5'' DT B 9 -4.167 -12.870 -9.743 1.00 0.47 H new ATOM 0 H4' DT B 9 -2.244 -11.754 -10.396 1.00 0.44 H new ATOM 0 H3' DT B 9 -3.071 -11.329 -7.843 1.00 0.46 H new ATOM 0 H2' DT B 9 -4.250 -9.227 -8.240 1.00 0.46 H new ATOM 0 H2'' DT B 9 -2.661 -8.657 -7.773 1.00 0.46 H new ATOM 0 HO5' DT B 9 -6.204 -11.745 -9.580 1.00 0.55 H new ATOM 0 H1' DT B 9 -1.968 -8.301 -9.962 1.00 0.43 H new ATOM 0 H3 DT B 9 -3.897 -4.636 -11.454 1.00 0.45 H new ATOM 0 H71 DT B 9 -7.828 -8.231 -10.853 1.00 0.51 H new ATOM 0 H72 DT B 9 -8.017 -6.883 -9.706 1.00 0.51 H new ATOM 0 H73 DT B 9 -8.097 -6.579 -11.458 1.00 0.51 H new ATOM 0 H6 DT B 9 -5.626 -8.837 -10.002 1.00 0.41 H new ATOM 281 P DG B 10 -0.619 -11.127 -7.011 1.00 0.59 P ATOM 282 OP1 DG B 10 -0.305 -12.575 -7.105 1.00 0.75 O ATOM 283 OP2 DG B 10 -1.516 -10.640 -5.931 1.00 0.74 O ATOM 284 O5' DG B 10 0.755 -10.323 -6.916 1.00 0.43 O ATOM 285 C5' DG B 10 1.900 -10.726 -7.670 1.00 0.40 C ATOM 286 C4' DG B 10 2.778 -9.532 -7.969 1.00 0.32 C ATOM 287 O4' DG B 10 1.940 -8.406 -8.324 1.00 0.28 O ATOM 288 C3' DG B 10 3.642 -9.050 -6.804 1.00 0.32 C ATOM 289 O3' DG B 10 4.878 -8.507 -7.289 1.00 0.35 O ATOM 290 C2' DG B 10 2.793 -7.971 -6.162 1.00 0.29 C ATOM 291 C1' DG B 10 2.014 -7.393 -7.330 1.00 0.27 C ATOM 292 N9 DG B 10 0.652 -7.001 -6.990 1.00 0.24 N ATOM 293 C8 DG B 10 -0.254 -7.723 -6.255 1.00 0.24 C ATOM 294 N7 DG B 10 -1.403 -7.121 -6.119 1.00 0.23 N ATOM 295 C5 DG B 10 -1.241 -5.922 -6.802 1.00 0.22 C ATOM 296 C6 DG B 10 -2.145 -4.847 -7.003 1.00 0.21 C ATOM 297 O6 DG B 10 -3.312 -4.735 -6.608 1.00 0.22 O ATOM 298 N1 DG B 10 -1.567 -3.827 -7.752 1.00 0.21 N ATOM 299 C2 DG B 10 -0.286 -3.840 -8.245 1.00 0.22 C ATOM 300 N2 DG B 10 0.092 -2.764 -8.942 1.00 0.23 N ATOM 301 N3 DG B 10 0.563 -4.834 -8.069 1.00 0.23 N ATOM 302 C4 DG B 10 0.024 -5.835 -7.343 1.00 0.22 C ATOM 0 H5' DG B 10 1.584 -11.196 -8.601 1.00 0.40 H new ATOM 0 H5'' DG B 10 2.467 -11.472 -7.113 1.00 0.40 H new ATOM 0 H4' DG B 10 3.440 -9.870 -8.766 1.00 0.32 H new ATOM 0 H3' DG B 10 3.913 -9.845 -6.110 1.00 0.32 H new ATOM 0 H2' DG B 10 2.130 -8.382 -5.401 1.00 0.29 H new ATOM 0 H2'' DG B 10 3.407 -7.214 -5.675 1.00 0.29 H new ATOM 0 H1' DG B 10 2.531 -6.492 -7.661 1.00 0.27 H new ATOM 0 H8 DG B 10 -0.037 -8.693 -5.831 1.00 0.24 H new ATOM 0 H1 DG B 10 -2.139 -3.006 -7.950 1.00 0.21 H new ATOM 0 H21 DG B 10 1.032 -2.715 -9.334 1.00 0.23 H new ATOM 0 H22 DG B 10 -0.560 -1.992 -9.082 1.00 0.23 H new ATOM 314 P DG B 11 5.817 -7.645 -6.306 1.00 0.37 P ATOM 315 OP1 DG B 11 7.107 -7.426 -7.009 1.00 0.42 O ATOM 316 OP2 DG B 11 5.813 -8.290 -4.968 1.00 0.38 O ATOM 317 O5' DG B 11 5.072 -6.239 -6.185 1.00 0.33 O ATOM 318 C5' DG B 11 5.195 -5.247 -7.208 1.00 0.33 C ATOM 319 C4' DG B 11 4.988 -3.864 -6.632 1.00 0.32 C ATOM 320 O4' DG B 11 3.568 -3.619 -6.480 1.00 0.29 O ATOM 321 C3' DG B 11 5.613 -3.628 -5.252 1.00 0.32 C ATOM 322 O3' DG B 11 6.339 -2.391 -5.254 1.00 0.34 O ATOM 323 C2' DG B 11 4.418 -3.559 -4.318 1.00 0.30 C ATOM 324 C1' DG B 11 3.335 -3.021 -5.221 1.00 0.28 C ATOM 325 N9 DG B 11 1.980 -3.359 -4.802 1.00 0.27 N ATOM 326 C8 DG B 11 1.585 -4.497 -4.148 1.00 0.27 C ATOM 327 N7 DG B 11 0.304 -4.530 -3.898 1.00 0.26 N ATOM 328 C5 DG B 11 -0.175 -3.333 -4.416 1.00 0.25 C ATOM 329 C6 DG B 11 -1.490 -2.801 -4.441 1.00 0.25 C ATOM 330 O6 DG B 11 -2.533 -3.298 -3.999 1.00 0.26 O ATOM 331 N1 DG B 11 -1.527 -1.557 -5.061 1.00 0.25 N ATOM 332 C2 DG B 11 -0.439 -0.908 -5.589 1.00 0.26 C ATOM 333 N2 DG B 11 -0.674 0.289 -6.137 1.00 0.27 N ATOM 334 N3 DG B 11 0.789 -1.392 -5.578 1.00 0.26 N ATOM 335 C4 DG B 11 0.849 -2.600 -4.978 1.00 0.26 C ATOM 0 H5' DG B 11 4.463 -5.434 -7.994 1.00 0.33 H new ATOM 0 H5'' DG B 11 6.181 -5.312 -7.669 1.00 0.33 H new ATOM 0 H4' DG B 11 5.480 -3.195 -7.338 1.00 0.32 H new ATOM 0 H3' DG B 11 6.321 -4.403 -4.958 1.00 0.32 H new ATOM 0 H2' DG B 11 4.161 -4.538 -3.913 1.00 0.30 H new ATOM 0 H2'' DG B 11 4.603 -2.902 -3.469 1.00 0.30 H new ATOM 0 H1' DG B 11 3.385 -1.932 -5.215 1.00 0.28 H new ATOM 0 H8 DG B 11 2.265 -5.287 -3.868 1.00 0.27 H new ATOM 0 H1 DG B 11 -2.432 -1.091 -5.129 1.00 0.25 H new ATOM 0 H21 DG B 11 0.093 0.822 -6.547 1.00 0.27 H new ATOM 0 H22 DG B 11 -1.621 0.669 -6.145 1.00 0.27 H new ATOM 347 P DA B 12 7.212 -1.964 -3.970 1.00 0.33 P ATOM 348 OP1 DA B 12 8.641 -2.085 -4.353 1.00 0.39 O ATOM 349 OP2 DA B 12 6.711 -2.690 -2.776 1.00 0.34 O ATOM 350 O5' DA B 12 6.886 -0.414 -3.784 1.00 0.35 O ATOM 351 C5' DA B 12 7.004 0.500 -4.878 1.00 0.37 C ATOM 352 C4' DA B 12 6.294 1.797 -4.561 1.00 0.32 C ATOM 353 O4' DA B 12 4.885 1.529 -4.362 1.00 0.30 O ATOM 354 C3' DA B 12 6.766 2.504 -3.291 1.00 0.30 C ATOM 355 O3' DA B 12 6.682 3.925 -3.451 1.00 0.28 O ATOM 356 C2' DA B 12 5.788 2.018 -2.240 1.00 0.25 C ATOM 357 C1' DA B 12 4.503 1.836 -3.029 1.00 0.22 C ATOM 358 N9 DA B 12 3.663 0.745 -2.542 1.00 0.22 N ATOM 359 C8 DA B 12 4.101 -0.423 -1.977 1.00 0.25 C ATOM 360 N7 DA B 12 3.135 -1.239 -1.634 1.00 0.26 N ATOM 361 C5 DA B 12 1.981 -0.557 -1.991 1.00 0.24 C ATOM 362 C6 DA B 12 0.620 -0.885 -1.885 1.00 0.25 C ATOM 363 N6 DA B 12 0.177 -2.032 -1.370 1.00 0.29 N ATOM 364 N1 DA B 12 -0.282 0.015 -2.333 1.00 0.24 N ATOM 365 C2 DA B 12 0.168 1.166 -2.852 1.00 0.22 C ATOM 366 N3 DA B 12 1.423 1.588 -3.007 1.00 0.20 N ATOM 367 C4 DA B 12 2.291 0.668 -2.551 1.00 0.21 C ATOM 0 H5' DA B 12 6.579 0.056 -5.778 1.00 0.37 H new ATOM 0 H5'' DA B 12 8.056 0.695 -5.085 1.00 0.37 H new ATOM 0 H4' DA B 12 6.512 2.446 -5.409 1.00 0.32 H new ATOM 0 H3' DA B 12 7.804 2.290 -3.036 1.00 0.30 H new ATOM 0 H2' DA B 12 6.117 1.085 -1.783 1.00 0.25 H new ATOM 0 H2'' DA B 12 5.668 2.742 -1.434 1.00 0.25 H new ATOM 0 H1' DA B 12 3.917 2.751 -2.936 1.00 0.22 H new ATOM 0 H8 DA B 12 5.146 -0.651 -1.828 1.00 0.25 H new ATOM 0 H61 DA B 12 -0.825 -2.215 -1.319 1.00 0.29 H new ATOM 0 H62 DA B 12 0.840 -2.727 -1.027 1.00 0.29 H new ATOM 0 H2 DA B 12 -0.595 1.849 -3.193 1.00 0.22 H new HETATM 379 P EDI B 13 7.284 4.897 -2.319 1.00 0.31 P HETATM 380 OP1 EDI B 13 8.298 5.758 -2.978 1.00 0.39 O HETATM 381 OP2 EDI B 13 7.671 4.083 -1.138 1.00 0.37 O HETATM 382 O5' EDI B 13 6.051 5.819 -1.906 1.00 0.25 O HETATM 383 C5' EDI B 13 5.473 6.733 -2.840 1.00 0.25 C HETATM 384 C4' EDI B 13 4.335 7.492 -2.197 1.00 0.24 C HETATM 385 O4' EDI B 13 3.282 6.563 -1.847 1.00 0.27 O HETATM 386 C3' EDI B 13 4.685 8.220 -0.901 1.00 0.25 C HETATM 387 O3' EDI B 13 3.892 9.407 -0.771 1.00 0.31 O HETATM 388 C2' EDI B 13 4.339 7.208 0.171 1.00 0.25 C HETATM 389 C1' EDI B 13 3.201 6.408 -0.436 1.00 0.27 C HETATM 390 N9 EDI B 13 3.286 4.985 -0.136 1.00 0.28 N HETATM 391 C8 EDI B 13 4.431 4.235 -0.087 1.00 0.28 C HETATM 392 N7 EDI B 13 4.215 2.982 0.200 1.00 0.32 N HETATM 393 C5 EDI B 13 2.837 2.902 0.355 1.00 0.35 C HETATM 394 C6 EDI B 13 2.013 1.796 0.672 1.00 0.41 C HETATM 395 O6 EDI B 13 2.350 0.625 0.883 1.00 0.44 O HETATM 396 N1 EDI B 13 0.668 2.157 0.733 1.00 0.44 N HETATM 397 C2 EDI B 13 0.186 3.425 0.513 1.00 0.42 C HETATM 398 N3 EDI B 13 0.945 4.465 0.214 1.00 0.37 N HETATM 399 C4 EDI B 13 2.250 4.133 0.152 1.00 0.33 C HETATM 400 C11 EDI B 13 -0.132 0.242 2.288 1.00 0.20 C HETATM 401 C12 EDI B 13 -0.303 1.112 1.053 1.00 0.50 C ATOM 415 P DC B 14 3.920 10.245 0.602 1.00 0.35 P ATOM 416 OP1 DC B 14 3.532 11.639 0.268 1.00 0.37 O ATOM 417 OP2 DC B 14 5.212 9.989 1.290 1.00 0.51 O ATOM 418 O5' DC B 14 2.754 9.596 1.473 1.00 0.29 O ATOM 419 C5' DC B 14 1.533 10.302 1.715 1.00 0.68 C ATOM 420 C4' DC B 14 0.546 9.416 2.439 1.00 0.58 C ATOM 421 O4' DC B 14 0.933 8.034 2.261 1.00 0.55 O ATOM 422 C3' DC B 14 0.461 9.652 3.951 1.00 0.52 C ATOM 423 O3' DC B 14 -0.880 9.991 4.321 1.00 0.56 O ATOM 424 C2' DC B 14 0.867 8.326 4.577 1.00 0.40 C ATOM 425 C1' DC B 14 0.720 7.319 3.458 1.00 0.44 C ATOM 426 N1 DC B 14 1.695 6.221 3.505 1.00 0.38 N ATOM 427 C2 DC B 14 1.241 4.914 3.693 1.00 0.39 C ATOM 428 O2 DC B 14 0.026 4.714 3.842 1.00 0.44 O ATOM 429 N3 DC B 14 2.136 3.901 3.714 1.00 0.37 N ATOM 430 C4 DC B 14 3.437 4.157 3.558 1.00 0.35 C ATOM 431 N4 DC B 14 4.281 3.124 3.570 1.00 0.37 N ATOM 432 C5 DC B 14 3.928 5.483 3.379 1.00 0.34 C ATOM 433 C6 DC B 14 3.029 6.476 3.361 1.00 0.36 C ATOM 0 H5' DC B 14 1.106 10.636 0.770 1.00 0.68 H new ATOM 0 H5'' DC B 14 1.733 11.194 2.308 1.00 0.68 H new ATOM 0 H4' DC B 14 -0.425 9.658 2.008 1.00 0.58 H new ATOM 0 H3' DC B 14 1.099 10.472 4.280 1.00 0.52 H new ATOM 0 H2' DC B 14 1.891 8.360 4.949 1.00 0.40 H new ATOM 0 H2'' DC B 14 0.228 8.075 5.424 1.00 0.40 H new ATOM 0 H1' DC B 14 -0.265 6.860 3.541 1.00 0.44 H new ATOM 0 H41 DC B 14 5.282 3.282 3.454 1.00 0.37 H new ATOM 0 H42 DC B 14 3.925 2.176 3.696 1.00 0.37 H new ATOM 0 H5 DC B 14 4.984 5.680 3.262 1.00 0.34 H new ATOM 0 H6 DC B 14 3.364 7.494 3.231 1.00 0.36 H new ATOM 445 P DT B 15 -1.198 10.473 5.822 1.00 0.60 P ATOM 446 OP1 DT B 15 -2.533 11.125 5.803 1.00 0.77 O ATOM 447 OP2 DT B 15 -0.023 11.222 6.335 1.00 0.74 O ATOM 448 O5' DT B 15 -1.321 9.114 6.646 1.00 0.39 O ATOM 449 C5' DT B 15 -2.411 8.218 6.429 1.00 0.40 C ATOM 450 C4' DT B 15 -2.398 7.117 7.464 1.00 0.32 C ATOM 451 O4' DT B 15 -1.308 6.214 7.161 1.00 0.25 O ATOM 452 C3' DT B 15 -2.185 7.586 8.908 1.00 0.33 C ATOM 453 O3' DT B 15 -3.204 7.032 9.750 1.00 0.40 O ATOM 454 C2' DT B 15 -0.810 7.053 9.279 1.00 0.25 C ATOM 455 C1' DT B 15 -0.632 5.871 8.352 1.00 0.21 C ATOM 456 N1 DT B 15 0.765 5.554 8.003 1.00 0.16 N ATOM 457 C2 DT B 15 1.146 4.232 7.989 1.00 0.18 C ATOM 458 O2 DT B 15 0.392 3.317 8.273 1.00 0.23 O ATOM 459 N3 DT B 15 2.449 4.019 7.634 1.00 0.21 N ATOM 460 C4 DT B 15 3.393 4.967 7.308 1.00 0.22 C ATOM 461 O4 DT B 15 4.517 4.615 6.962 1.00 0.28 O ATOM 462 C5 DT B 15 2.934 6.337 7.362 1.00 0.19 C ATOM 463 C7 DT B 15 3.917 7.438 7.109 1.00 0.25 C ATOM 464 C6 DT B 15 1.654 6.564 7.696 1.00 0.16 C ATOM 0 H5' DT B 15 -2.344 7.788 5.430 1.00 0.40 H new ATOM 0 H5'' DT B 15 -3.354 8.763 6.479 1.00 0.40 H new ATOM 0 H4' DT B 15 -3.385 6.658 7.411 1.00 0.32 H new ATOM 0 H3' DT B 15 -2.241 8.668 9.023 1.00 0.33 H new ATOM 0 H2' DT B 15 -0.034 7.803 9.128 1.00 0.25 H new ATOM 0 H2'' DT B 15 -0.764 6.753 10.326 1.00 0.25 H new ATOM 0 H1' DT B 15 -1.015 4.987 8.862 1.00 0.21 H new ATOM 0 H3 DT B 15 2.757 3.047 7.608 1.00 0.21 H new ATOM 0 H71 DT B 15 4.909 7.120 7.428 1.00 0.25 H new ATOM 0 H72 DT B 15 3.936 7.671 6.044 1.00 0.25 H new ATOM 0 H73 DT B 15 3.622 8.325 7.670 1.00 0.25 H new ATOM 0 H6 DT B 15 1.303 7.585 7.726 1.00 0.16 H new ATOM 477 P DG B 16 -3.055 7.111 11.349 1.00 0.52 P ATOM 478 OP1 DG B 16 -4.419 6.998 11.926 1.00 0.57 O ATOM 479 OP2 DG B 16 -2.211 8.286 11.691 1.00 0.55 O ATOM 480 O5' DG B 16 -2.245 5.790 11.722 1.00 0.61 O ATOM 481 C5' DG B 16 -2.887 4.513 11.742 1.00 0.71 C ATOM 482 C4' DG B 16 -2.225 3.612 12.759 1.00 0.82 C ATOM 483 O4' DG B 16 -1.005 3.079 12.187 1.00 0.75 O ATOM 484 C3' DG B 16 -1.819 4.305 14.061 1.00 0.90 C ATOM 485 O3' DG B 16 -2.063 3.455 15.185 1.00 1.06 O ATOM 486 C2' DG B 16 -0.335 4.556 13.885 1.00 0.83 C ATOM 487 C1' DG B 16 0.103 3.400 13.009 1.00 0.76 C ATOM 488 N9 DG B 16 1.230 3.714 12.140 1.00 0.64 N ATOM 489 C8 DG B 16 1.509 4.929 11.573 1.00 0.57 C ATOM 490 N7 DG B 16 2.586 4.921 10.837 1.00 0.48 N ATOM 491 C5 DG B 16 3.050 3.614 10.928 1.00 0.47 C ATOM 492 C6 DG B 16 4.188 2.998 10.346 1.00 0.40 C ATOM 493 O6 DG B 16 5.043 3.499 9.608 1.00 0.33 O ATOM 494 N1 DG B 16 4.281 1.656 10.701 1.00 0.44 N ATOM 495 C2 DG B 16 3.394 0.993 11.513 1.00 0.56 C ATOM 496 N2 DG B 16 3.651 -0.299 11.739 1.00 0.61 N ATOM 497 N3 DG B 16 2.332 1.554 12.062 1.00 0.63 N ATOM 498 C4 DG B 16 2.222 2.857 11.730 1.00 0.58 C ATOM 0 H5' DG B 16 -2.836 4.057 10.753 1.00 0.71 H new ATOM 0 H5'' DG B 16 -3.943 4.632 11.984 1.00 0.71 H new ATOM 0 H4' DG B 16 -2.970 2.854 13.000 1.00 0.82 H new ATOM 0 H3' DG B 16 -2.382 5.219 14.249 1.00 0.90 H new ATOM 0 H2' DG B 16 -0.142 5.518 13.411 1.00 0.83 H new ATOM 0 H2'' DG B 16 0.190 4.560 14.840 1.00 0.83 H new ATOM 0 HO3' DG B 16 -1.795 3.916 16.008 1.00 1.06 H new ATOM 0 H1' DG B 16 0.426 2.585 13.657 1.00 0.76 H new ATOM 0 H8 DG B 16 0.898 5.807 11.721 1.00 0.57 H new ATOM 0 H1 DG B 16 5.068 1.124 10.330 1.00 0.44 H new ATOM 0 H21 DG B 16 3.029 -0.846 12.334 1.00 0.61 H new ATOM 0 H22 DG B 16 4.469 -0.738 11.316 1.00 0.61 H new TER 511 DG B 16