USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 169 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot -27:sc= 0.00348 USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= -0.101 (180deg=-0.101) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -8.042 3.306 10.131 1.00 1.81 O ATOM 2 C5' DC A 1 -7.690 4.611 9.673 1.00 1.71 C ATOM 3 C4' DC A 1 -6.184 4.851 9.773 1.00 1.53 C ATOM 4 O4' DC A 1 -5.487 3.870 9.001 1.00 1.41 O ATOM 5 C3' DC A 1 -5.742 6.228 9.260 1.00 1.45 C ATOM 6 O3' DC A 1 -4.939 6.874 10.255 1.00 1.43 O ATOM 7 C2' DC A 1 -4.895 5.923 8.029 1.00 1.27 C ATOM 8 C1' DC A 1 -4.410 4.520 8.335 1.00 1.23 C ATOM 9 N1 DC A 1 -4.062 3.724 7.142 1.00 1.12 N ATOM 10 C2 DC A 1 -2.728 3.688 6.768 1.00 0.99 C ATOM 11 O2 DC A 1 -1.887 4.294 7.429 1.00 0.98 O ATOM 12 N3 DC A 1 -2.387 2.972 5.663 1.00 0.90 N ATOM 13 C4 DC A 1 -3.314 2.317 4.953 1.00 0.95 C ATOM 14 N4 DC A 1 -2.945 1.627 3.873 1.00 0.89 N ATOM 15 C5 DC A 1 -4.693 2.350 5.337 1.00 1.10 C ATOM 16 C6 DC A 1 -5.020 3.062 6.432 1.00 1.18 C ATOM 0 H5' DC A 1 -8.219 5.360 10.262 1.00 1.71 H new ATOM 0 H5'' DC A 1 -8.011 4.734 8.639 1.00 1.71 H new ATOM 0 H4' DC A 1 -5.947 4.790 10.835 1.00 1.53 H new ATOM 0 H3' DC A 1 -6.583 6.884 9.035 1.00 1.45 H new ATOM 0 H2' DC A 1 -5.479 5.964 7.109 1.00 1.27 H new ATOM 0 H2'' DC A 1 -4.070 6.626 7.914 1.00 1.27 H new ATOM 0 HO5' DC A 1 -7.284 2.699 10.003 1.00 1.81 H new ATOM 0 H1' DC A 1 -3.496 4.596 8.924 1.00 1.23 H new ATOM 0 H41 DC A 1 -3.644 1.125 3.325 1.00 0.89 H new ATOM 0 H42 DC A 1 -1.964 1.602 3.595 1.00 0.89 H new ATOM 0 H5 DC A 1 -5.444 1.822 4.768 1.00 1.10 H new ATOM 0 H6 DC A 1 -6.051 3.109 6.751 1.00 1.18 H new ATOM 29 P DG A 2 -4.532 8.424 10.094 1.00 1.41 P ATOM 30 OP1 DG A 2 -4.108 8.935 11.416 1.00 1.48 O ATOM 31 OP2 DG A 2 -5.613 9.110 9.352 1.00 1.53 O ATOM 32 O5' DG A 2 -3.236 8.354 9.141 1.00 1.22 O ATOM 33 C5' DG A 2 -1.957 8.003 9.676 1.00 1.11 C ATOM 34 C4' DG A 2 -0.873 8.039 8.600 1.00 0.91 C ATOM 35 O4' DG A 2 -1.193 7.111 7.565 1.00 0.86 O ATOM 36 C3' DG A 2 -0.697 9.412 7.935 1.00 0.92 C ATOM 37 O3' DG A 2 0.658 9.847 8.098 1.00 0.84 O ATOM 38 C2' DG A 2 -0.985 9.170 6.454 1.00 0.89 C ATOM 39 C1' DG A 2 -0.766 7.673 6.332 1.00 0.78 C ATOM 40 N9 DG A 2 -1.537 7.039 5.249 1.00 0.78 N ATOM 41 C8 DG A 2 -2.895 6.963 5.097 1.00 0.93 C ATOM 42 N7 DG A 2 -3.273 6.333 4.021 1.00 0.90 N ATOM 43 C5 DG A 2 -2.078 5.962 3.413 1.00 0.73 C ATOM 44 C6 DG A 2 -1.853 5.249 2.205 1.00 0.63 C ATOM 45 O6 DG A 2 -2.684 4.795 1.421 1.00 0.69 O ATOM 46 N1 DG A 2 -0.497 5.089 1.954 1.00 0.47 N ATOM 47 C2 DG A 2 0.518 5.555 2.764 1.00 0.42 C ATOM 48 N2 DG A 2 1.762 5.305 2.356 1.00 0.32 N ATOM 49 N3 DG A 2 0.308 6.225 3.900 1.00 0.50 N ATOM 50 C4 DG A 2 -1.009 6.391 4.159 1.00 0.65 C ATOM 0 H5' DG A 2 -2.005 7.005 10.113 1.00 1.11 H new ATOM 0 H5'' DG A 2 -1.696 8.691 10.480 1.00 1.11 H new ATOM 0 H4' DG A 2 0.055 7.790 9.115 1.00 0.91 H new ATOM 0 H3' DG A 2 -1.350 10.172 8.364 1.00 0.92 H new ATOM 0 H2' DG A 2 -2.001 9.457 6.183 1.00 0.89 H new ATOM 0 H2'' DG A 2 -0.312 9.735 5.809 1.00 0.89 H new ATOM 0 H1' DG A 2 0.285 7.499 6.101 1.00 0.78 H new ATOM 0 H8 DG A 2 -3.591 7.387 5.806 1.00 0.93 H new ATOM 0 H1 DG A 2 -0.231 4.589 1.106 1.00 0.47 H new ATOM 0 H21 DG A 2 2.555 5.624 2.912 1.00 0.32 H new ATOM 0 H22 DG A 2 1.921 4.794 1.487 1.00 0.32 H new ATOM 62 P DC A 3 1.187 11.179 7.361 1.00 0.91 P ATOM 63 OP1 DC A 3 2.230 11.797 8.211 1.00 0.99 O ATOM 64 OP2 DC A 3 0.010 11.975 6.944 1.00 1.09 O ATOM 65 O5' DC A 3 1.895 10.597 6.037 1.00 0.78 O ATOM 66 C5' DC A 3 3.090 9.815 6.135 1.00 0.65 C ATOM 67 C4' DC A 3 3.637 9.445 4.758 1.00 0.55 C ATOM 68 O4' DC A 3 2.618 8.792 4.001 1.00 0.56 O ATOM 69 C3' DC A 3 4.116 10.646 3.932 1.00 0.61 C ATOM 70 O3' DC A 3 5.504 10.482 3.612 1.00 0.57 O ATOM 71 C2' DC A 3 3.284 10.600 2.651 1.00 0.64 C ATOM 72 C1' DC A 3 2.783 9.166 2.640 1.00 0.56 C ATOM 73 N1 DC A 3 1.487 8.981 1.961 1.00 0.58 N ATOM 74 C2 DC A 3 1.496 8.335 0.735 1.00 0.53 C ATOM 75 O2 DC A 3 2.557 7.946 0.253 1.00 0.52 O ATOM 76 N3 DC A 3 0.309 8.151 0.094 1.00 0.55 N ATOM 77 C4 DC A 3 -0.839 8.582 0.634 1.00 0.64 C ATOM 78 N4 DC A 3 -1.982 8.385 -0.021 1.00 0.68 N ATOM 79 C5 DC A 3 -0.851 9.249 1.900 1.00 0.74 C ATOM 80 C6 DC A 3 0.328 9.427 2.526 1.00 0.70 C ATOM 0 H5' DC A 3 2.885 8.907 6.701 1.00 0.65 H new ATOM 0 H5'' DC A 3 3.845 10.372 6.689 1.00 0.65 H new ATOM 0 H4' DC A 3 4.497 8.803 4.947 1.00 0.55 H new ATOM 0 H3' DC A 3 4.003 11.590 4.465 1.00 0.61 H new ATOM 0 H2' DC A 3 2.463 11.317 2.673 1.00 0.64 H new ATOM 0 H2'' DC A 3 3.883 10.828 1.769 1.00 0.64 H new ATOM 0 H1' DC A 3 3.506 8.562 2.092 1.00 0.56 H new ATOM 0 H41 DC A 3 -2.862 8.709 0.380 1.00 0.68 H new ATOM 0 H42 DC A 3 -1.977 7.910 -0.924 1.00 0.68 H new ATOM 0 H5 DC A 3 -1.774 9.598 2.339 1.00 0.74 H new ATOM 0 H6 DC A 3 0.356 9.927 3.483 1.00 0.70 H new ATOM 92 P DG A 4 6.308 11.642 2.832 1.00 0.69 P ATOM 93 OP1 DG A 4 7.739 11.540 3.195 1.00 0.73 O ATOM 94 OP2 DG A 4 5.587 12.918 3.033 1.00 0.82 O ATOM 95 O5' DG A 4 6.148 11.212 1.287 1.00 0.66 O ATOM 96 C5' DG A 4 7.006 10.222 0.712 1.00 0.63 C ATOM 97 C4' DG A 4 6.723 10.029 -0.777 1.00 0.63 C ATOM 98 O4' DG A 4 5.364 9.618 -0.959 1.00 0.62 O ATOM 99 C3' DG A 4 6.930 11.296 -1.613 1.00 0.68 C ATOM 100 O3' DG A 4 7.757 10.991 -2.743 1.00 0.70 O ATOM 101 C2' DG A 4 5.531 11.676 -2.084 1.00 0.70 C ATOM 102 C1' DG A 4 4.826 10.333 -2.068 1.00 0.64 C ATOM 103 N9 DG A 4 3.365 10.421 -1.885 1.00 0.64 N ATOM 104 C8 DG A 4 2.665 10.974 -0.846 1.00 0.65 C ATOM 105 N7 DG A 4 1.372 10.891 -0.972 1.00 0.65 N ATOM 106 C5 DG A 4 1.195 10.235 -2.186 1.00 0.63 C ATOM 107 C6 DG A 4 -0.003 9.864 -2.853 1.00 0.62 C ATOM 108 O6 DG A 4 -1.164 10.043 -2.491 1.00 0.64 O ATOM 109 N1 DG A 4 0.261 9.221 -4.054 1.00 0.60 N ATOM 110 C2 DG A 4 1.521 8.966 -4.554 1.00 0.60 C ATOM 111 N2 DG A 4 1.573 8.338 -5.729 1.00 0.61 N ATOM 112 N3 DG A 4 2.651 9.314 -3.929 1.00 0.62 N ATOM 113 C4 DG A 4 2.411 9.943 -2.754 1.00 0.62 C ATOM 0 H5' DG A 4 6.871 9.275 1.234 1.00 0.63 H new ATOM 0 H5'' DG A 4 8.046 10.517 0.850 1.00 0.63 H new ATOM 0 H4' DG A 4 7.434 9.276 -1.118 1.00 0.63 H new ATOM 0 H3' DG A 4 7.412 12.097 -1.054 1.00 0.68 H new ATOM 0 H2' DG A 4 5.056 12.396 -1.417 1.00 0.70 H new ATOM 0 H2'' DG A 4 5.541 12.121 -3.079 1.00 0.70 H new ATOM 0 H1' DG A 4 4.986 9.853 -3.033 1.00 0.64 H new ATOM 0 H8 DG A 4 3.144 11.438 0.004 1.00 0.65 H new ATOM 0 H1 DG A 4 -0.537 8.914 -4.609 1.00 0.60 H new ATOM 0 H21 DG A 4 2.476 8.121 -6.152 1.00 0.61 H new ATOM 0 H22 DG A 4 0.710 8.075 -6.205 1.00 0.61 H new ATOM 125 P DA A 5 8.093 12.126 -3.837 1.00 0.76 P ATOM 126 OP1 DA A 5 9.464 11.891 -4.343 1.00 0.88 O ATOM 127 OP2 DA A 5 7.735 13.441 -3.262 1.00 0.89 O ATOM 128 O5' DA A 5 7.055 11.795 -5.021 1.00 0.60 O ATOM 129 C5' DA A 5 7.293 10.702 -5.914 1.00 0.55 C ATOM 130 C4' DA A 5 6.292 10.690 -7.065 1.00 0.41 C ATOM 131 O4' DA A 5 4.968 10.532 -6.545 1.00 0.37 O ATOM 132 C3' DA A 5 6.304 11.972 -7.904 1.00 0.36 C ATOM 133 O3' DA A 5 6.345 11.635 -9.295 1.00 0.42 O ATOM 134 C2' DA A 5 4.982 12.651 -7.577 1.00 0.31 C ATOM 135 C1' DA A 5 4.112 11.467 -7.196 1.00 0.30 C ATOM 136 N9 DA A 5 3.016 11.797 -6.267 1.00 0.30 N ATOM 137 C8 DA A 5 3.078 12.474 -5.076 1.00 0.32 C ATOM 138 N7 DA A 5 1.923 12.605 -4.484 1.00 0.34 N ATOM 139 C5 DA A 5 1.034 11.969 -5.344 1.00 0.33 C ATOM 140 C6 DA A 5 -0.352 11.760 -5.289 1.00 0.38 C ATOM 141 N6 DA A 5 -1.114 12.190 -4.284 1.00 0.44 N ATOM 142 N1 DA A 5 -0.916 11.090 -6.309 1.00 0.39 N ATOM 143 C2 DA A 5 -0.150 10.665 -7.306 1.00 0.36 C ATOM 144 N3 DA A 5 1.157 10.799 -7.471 1.00 0.32 N ATOM 145 C4 DA A 5 1.693 11.473 -6.433 1.00 0.30 C ATOM 0 H5' DA A 5 7.229 9.762 -5.365 1.00 0.55 H new ATOM 0 H5'' DA A 5 8.305 10.770 -6.312 1.00 0.55 H new ATOM 0 H4' DA A 5 6.587 9.861 -7.709 1.00 0.41 H new ATOM 0 H3' DA A 5 7.164 12.607 -7.692 1.00 0.36 H new ATOM 0 H2' DA A 5 5.080 13.366 -6.760 1.00 0.31 H new ATOM 0 H2'' DA A 5 4.580 13.196 -8.431 1.00 0.31 H new ATOM 0 H1' DA A 5 3.644 11.089 -8.105 1.00 0.30 H new ATOM 0 H8 DA A 5 3.998 12.863 -4.666 1.00 0.32 H new ATOM 0 H61 DA A 5 -2.118 12.011 -4.293 1.00 0.44 H new ATOM 0 H62 DA A 5 -0.693 12.698 -3.506 1.00 0.44 H new ATOM 0 H2 DA A 5 -0.665 10.135 -8.094 1.00 0.36 H new ATOM 157 P DA A 6 6.438 12.793 -10.410 1.00 0.44 P ATOM 158 OP1 DA A 6 7.051 12.217 -11.627 1.00 0.60 O ATOM 159 OP2 DA A 6 7.035 13.992 -9.781 1.00 0.47 O ATOM 160 O5' DA A 6 4.891 13.108 -10.727 1.00 0.38 O ATOM 161 C5' DA A 6 4.156 12.286 -11.637 1.00 0.41 C ATOM 162 C4' DA A 6 2.750 12.831 -11.880 1.00 0.39 C ATOM 163 O4' DA A 6 2.014 12.832 -10.652 1.00 0.36 O ATOM 164 C3' DA A 6 2.723 14.267 -12.422 1.00 0.46 C ATOM 165 O3' DA A 6 1.854 14.329 -13.560 1.00 0.49 O ATOM 166 C2' DA A 6 2.133 15.085 -11.281 1.00 0.44 C ATOM 167 C1' DA A 6 1.272 14.044 -10.597 1.00 0.38 C ATOM 168 N9 DA A 6 0.964 14.336 -9.184 1.00 0.38 N ATOM 169 C8 DA A 6 1.823 14.599 -8.149 1.00 0.42 C ATOM 170 N7 DA A 6 1.224 14.846 -7.016 1.00 0.45 N ATOM 171 C5 DA A 6 -0.129 14.737 -7.325 1.00 0.43 C ATOM 172 C6 DA A 6 -1.295 14.886 -6.557 1.00 0.47 C ATOM 173 N6 DA A 6 -1.282 15.192 -5.260 1.00 0.54 N ATOM 174 N1 DA A 6 -2.472 14.707 -7.183 1.00 0.46 N ATOM 175 C2 DA A 6 -2.479 14.406 -8.476 1.00 0.41 C ATOM 176 N3 DA A 6 -1.457 14.242 -9.300 1.00 0.38 N ATOM 177 C4 DA A 6 -0.293 14.426 -8.645 1.00 0.39 C ATOM 0 H5' DA A 6 4.090 11.273 -11.241 1.00 0.41 H new ATOM 0 H5'' DA A 6 4.691 12.223 -12.585 1.00 0.41 H new ATOM 0 H4' DA A 6 2.310 12.175 -12.631 1.00 0.39 H new ATOM 0 H3' DA A 6 3.705 14.624 -12.732 1.00 0.46 H new ATOM 0 H2' DA A 6 2.901 15.485 -10.619 1.00 0.44 H new ATOM 0 H2'' DA A 6 1.549 15.933 -11.640 1.00 0.44 H new ATOM 0 H1' DA A 6 0.309 14.008 -11.107 1.00 0.38 H new ATOM 0 H8 DA A 6 2.897 14.602 -8.261 1.00 0.42 H new ATOM 0 H61 DA A 6 -2.160 15.288 -4.750 1.00 0.54 H new ATOM 0 H62 DA A 6 -0.394 15.330 -4.777 1.00 0.54 H new ATOM 0 H2 DA A 6 -3.456 14.277 -8.917 1.00 0.41 H new ATOM 189 P DG A 7 1.635 15.714 -14.355 1.00 0.64 P ATOM 190 OP1 DG A 7 1.026 15.403 -15.667 1.00 0.71 O ATOM 191 OP2 DG A 7 2.896 16.487 -14.292 1.00 0.78 O ATOM 192 O5' DG A 7 0.534 16.474 -13.455 1.00 0.60 O ATOM 193 C5' DG A 7 -0.826 16.029 -13.438 1.00 0.51 C ATOM 194 C4' DG A 7 -1.703 16.937 -12.579 1.00 0.49 C ATOM 195 O4' DG A 7 -1.112 17.084 -11.282 1.00 0.58 O ATOM 196 C3' DG A 7 -1.893 18.344 -13.153 1.00 0.55 C ATOM 197 O3' DG A 7 -3.278 18.701 -13.084 1.00 0.48 O ATOM 198 C2' DG A 7 -1.083 19.243 -12.228 1.00 0.69 C ATOM 199 C1' DG A 7 -1.141 18.465 -10.927 1.00 0.68 C ATOM 200 N9 DG A 7 -0.008 18.721 -10.017 1.00 0.85 N ATOM 201 C8 DG A 7 1.321 18.858 -10.319 1.00 0.97 C ATOM 202 N7 DG A 7 2.080 19.078 -9.282 1.00 1.12 N ATOM 203 C5 DG A 7 1.189 19.089 -8.213 1.00 1.12 C ATOM 204 C6 DG A 7 1.435 19.283 -6.826 1.00 1.29 C ATOM 205 O6 DG A 7 2.507 19.488 -6.262 1.00 1.45 O ATOM 206 N1 DG A 7 0.261 19.218 -6.088 1.00 1.32 N ATOM 207 C2 DG A 7 -0.994 18.993 -6.615 1.00 1.19 C ATOM 208 N2 DG A 7 -2.005 18.965 -5.746 1.00 1.31 N ATOM 209 N3 DG A 7 -1.227 18.810 -7.919 1.00 1.00 N ATOM 210 C4 DG A 7 -0.092 18.871 -8.654 1.00 0.97 C ATOM 0 H5' DG A 7 -0.871 15.010 -13.055 1.00 0.51 H new ATOM 0 H5'' DG A 7 -1.214 16.004 -14.456 1.00 0.51 H new ATOM 0 H4' DG A 7 -2.679 16.454 -12.543 1.00 0.49 H new ATOM 0 H3' DG A 7 -1.579 18.424 -14.194 1.00 0.55 H new ATOM 0 H2' DG A 7 -0.060 19.379 -12.580 1.00 0.69 H new ATOM 0 H2'' DG A 7 -1.522 20.236 -12.133 1.00 0.69 H new ATOM 0 H1' DG A 7 -2.041 18.772 -10.394 1.00 0.68 H new ATOM 0 H8 DG A 7 1.706 18.790 -11.326 1.00 0.97 H new ATOM 0 H1 DG A 7 0.332 19.346 -5.079 1.00 1.32 H new ATOM 0 H21 DG A 7 -2.957 18.803 -6.076 1.00 1.31 H new ATOM 0 H22 DG A 7 -1.827 19.106 -4.752 1.00 1.31 H new ATOM 222 P DC A 8 -3.781 20.149 -13.581 1.00 0.58 P ATOM 223 OP1 DC A 8 -4.911 19.951 -14.515 1.00 0.64 O ATOM 224 OP2 DC A 8 -2.598 20.928 -14.008 1.00 0.66 O ATOM 225 O5' DC A 8 -4.356 20.808 -12.227 1.00 0.60 O ATOM 226 C5' DC A 8 -5.469 20.218 -11.549 1.00 0.56 C ATOM 227 C4' DC A 8 -5.926 21.072 -10.369 1.00 0.59 C ATOM 228 O4' DC A 8 -4.826 21.294 -9.486 1.00 0.61 O ATOM 229 C3' DC A 8 -6.475 22.447 -10.769 1.00 0.68 C ATOM 230 O3' DC A 8 -7.791 22.611 -10.227 1.00 0.70 O ATOM 231 C2' DC A 8 -5.520 23.450 -10.125 1.00 0.74 C ATOM 232 C1' DC A 8 -4.909 22.629 -9.003 1.00 0.70 C ATOM 233 N1 DC A 8 -3.551 23.052 -8.610 1.00 0.75 N ATOM 234 C2 DC A 8 -3.398 23.620 -7.356 1.00 0.84 C ATOM 235 O2 DC A 8 -4.373 23.759 -6.619 1.00 0.89 O ATOM 236 N3 DC A 8 -2.152 24.013 -6.972 1.00 0.90 N ATOM 237 C4 DC A 8 -1.100 23.855 -7.787 1.00 0.86 C ATOM 238 N4 DC A 8 0.107 24.250 -7.381 1.00 0.94 N ATOM 239 C5 DC A 8 -1.255 23.269 -9.083 1.00 0.78 C ATOM 240 C6 DC A 8 -2.491 22.884 -9.452 1.00 0.73 C ATOM 0 H5' DC A 8 -5.195 19.224 -11.195 1.00 0.56 H new ATOM 0 H5'' DC A 8 -6.295 20.090 -12.248 1.00 0.56 H new ATOM 0 H4' DC A 8 -6.734 20.513 -9.897 1.00 0.59 H new ATOM 0 H3' DC A 8 -6.541 22.575 -11.849 1.00 0.68 H new ATOM 0 H2' DC A 8 -4.766 23.805 -10.828 1.00 0.74 H new ATOM 0 H2'' DC A 8 -6.044 24.329 -9.749 1.00 0.74 H new ATOM 0 H1' DC A 8 -5.536 22.750 -8.120 1.00 0.70 H new ATOM 0 H41 DC A 8 0.914 24.134 -7.994 1.00 0.94 H new ATOM 0 H42 DC A 8 0.223 24.668 -6.458 1.00 0.94 H new ATOM 0 H5 DC A 8 -0.410 23.140 -9.742 1.00 0.78 H new ATOM 0 H6 DC A 8 -2.645 22.438 -10.424 1.00 0.73 H new ATOM 252 P DA A 9 -8.037 22.568 -8.634 1.00 0.71 P ATOM 253 OP1 DA A 9 -7.688 23.894 -8.078 1.00 0.85 O ATOM 254 OP2 DA A 9 -7.388 21.351 -8.099 1.00 0.65 O ATOM 255 O5' DA A 9 -9.637 22.381 -8.525 1.00 0.72 O ATOM 256 C5' DA A 9 -10.234 21.893 -7.318 1.00 0.73 C ATOM 257 C4' DA A 9 -10.299 20.368 -7.301 1.00 0.62 C ATOM 258 O4' DA A 9 -9.046 19.836 -7.714 1.00 0.57 O ATOM 259 C3' DA A 9 -10.615 19.761 -5.925 1.00 0.66 C ATOM 260 O3' DA A 9 -11.837 19.012 -6.008 1.00 0.64 O ATOM 261 C2' DA A 9 -9.442 18.819 -5.634 1.00 0.63 C ATOM 262 C1' DA A 9 -8.848 18.617 -7.020 1.00 0.53 C ATOM 263 N9 DA A 9 -7.403 18.316 -7.060 1.00 0.54 N ATOM 264 C8 DA A 9 -6.414 18.629 -6.158 1.00 0.61 C ATOM 265 N7 DA A 9 -5.225 18.233 -6.521 1.00 0.62 N ATOM 266 C5 DA A 9 -5.441 17.616 -7.749 1.00 0.56 C ATOM 267 C6 DA A 9 -4.578 16.985 -8.662 1.00 0.58 C ATOM 268 N6 DA A 9 -3.265 16.869 -8.463 1.00 0.66 N ATOM 269 N1 DA A 9 -5.126 16.483 -9.781 1.00 0.55 N ATOM 270 C2 DA A 9 -6.435 16.604 -9.972 1.00 0.49 C ATOM 271 N3 DA A 9 -7.342 17.170 -9.194 1.00 0.47 N ATOM 272 C4 DA A 9 -6.763 17.663 -8.081 1.00 0.50 C ATOM 0 H5' DA A 9 -11.239 22.302 -7.217 1.00 0.73 H new ATOM 0 H5'' DA A 9 -9.660 22.243 -6.460 1.00 0.73 H new ATOM 0 H4' DA A 9 -11.114 20.107 -7.976 1.00 0.62 H new ATOM 0 H3' DA A 9 -10.737 20.516 -5.148 1.00 0.66 H new ATOM 0 H2' DA A 9 -8.725 19.262 -4.943 1.00 0.63 H new ATOM 0 H2'' DA A 9 -9.773 17.880 -5.191 1.00 0.63 H new ATOM 0 H1' DA A 9 -9.342 17.748 -7.454 1.00 0.53 H new ATOM 0 H8 DA A 9 -6.604 19.154 -5.234 1.00 0.61 H new ATOM 0 H61 DA A 9 -2.683 16.401 -9.158 1.00 0.66 H new ATOM 0 H62 DA A 9 -2.842 17.248 -7.616 1.00 0.66 H new ATOM 0 H2 DA A 9 -6.811 16.181 -10.892 1.00 0.49 H new ATOM 284 P DT A 10 -12.171 17.845 -4.945 1.00 0.67 P ATOM 285 OP1 DT A 10 -13.642 17.691 -4.868 1.00 0.73 O ATOM 286 OP2 DT A 10 -11.391 18.098 -3.714 1.00 0.76 O ATOM 287 O5' DT A 10 -11.568 16.537 -5.662 1.00 0.55 O ATOM 288 C5' DT A 10 -12.033 16.139 -6.954 1.00 0.46 C ATOM 289 C4' DT A 10 -11.085 15.135 -7.601 1.00 0.36 C ATOM 290 O4' DT A 10 -9.747 15.605 -7.473 1.00 0.37 O ATOM 291 C3' DT A 10 -11.132 13.740 -6.971 1.00 0.42 C ATOM 292 O3' DT A 10 -11.689 12.818 -7.913 1.00 0.44 O ATOM 293 C2' DT A 10 -9.672 13.373 -6.690 1.00 0.41 C ATOM 294 C1' DT A 10 -8.890 14.474 -7.398 1.00 0.35 C ATOM 295 N1 DT A 10 -7.666 14.889 -6.686 1.00 0.39 N ATOM 296 C2 DT A 10 -6.463 14.752 -7.350 1.00 0.38 C ATOM 297 O2 DT A 10 -6.395 14.314 -8.496 1.00 0.36 O ATOM 298 N3 DT A 10 -5.337 15.141 -6.648 1.00 0.45 N ATOM 299 C4 DT A 10 -5.312 15.649 -5.360 1.00 0.51 C ATOM 300 O4 DT A 10 -4.249 15.962 -4.830 1.00 0.58 O ATOM 301 C5 DT A 10 -6.617 15.757 -4.748 1.00 0.53 C ATOM 302 C7 DT A 10 -6.737 16.302 -3.328 1.00 0.63 C ATOM 303 C6 DT A 10 -7.729 15.383 -5.411 1.00 0.47 C ATOM 0 H5' DT A 10 -12.129 17.016 -7.594 1.00 0.46 H new ATOM 0 H5'' DT A 10 -13.026 15.699 -6.865 1.00 0.46 H new ATOM 0 H4' DT A 10 -11.407 15.048 -8.639 1.00 0.36 H new ATOM 0 H3' DT A 10 -11.739 13.712 -6.066 1.00 0.42 H new ATOM 0 H2' DT A 10 -9.461 13.354 -5.621 1.00 0.41 H new ATOM 0 H2'' DT A 10 -9.423 12.387 -7.082 1.00 0.41 H new ATOM 0 H1' DT A 10 -8.579 14.088 -8.369 1.00 0.35 H new ATOM 0 H3 DT A 10 -4.440 15.045 -7.124 1.00 0.45 H new ATOM 0 H71 DT A 10 -7.697 16.805 -3.211 1.00 0.63 H new ATOM 0 H72 DT A 10 -6.669 15.480 -2.616 1.00 0.63 H new ATOM 0 H73 DT A 10 -5.931 17.011 -3.141 1.00 0.63 H new ATOM 0 H6 DT A 10 -8.690 15.475 -4.926 1.00 0.47 H new ATOM 316 P DT A 11 -11.635 11.233 -7.635 1.00 0.57 P ATOM 317 OP1 DT A 11 -12.721 10.589 -8.407 1.00 0.70 O ATOM 318 OP2 DT A 11 -11.542 11.022 -6.174 1.00 0.67 O ATOM 319 O5' DT A 11 -10.229 10.809 -8.295 1.00 0.49 O ATOM 320 C5' DT A 11 -10.032 10.913 -9.709 1.00 0.48 C ATOM 321 C4' DT A 11 -8.695 10.313 -10.133 1.00 0.46 C ATOM 322 O4' DT A 11 -7.630 11.000 -9.471 1.00 0.41 O ATOM 323 C3' DT A 11 -8.553 8.823 -9.801 1.00 0.51 C ATOM 324 O3' DT A 11 -8.169 8.107 -10.980 1.00 0.55 O ATOM 325 C2' DT A 11 -7.429 8.762 -8.771 1.00 0.47 C ATOM 326 C1' DT A 11 -6.660 10.035 -9.075 1.00 0.41 C ATOM 327 N1 DT A 11 -5.921 10.585 -7.923 1.00 0.37 N ATOM 328 C2 DT A 11 -4.546 10.672 -8.030 1.00 0.35 C ATOM 329 O2 DT A 11 -3.944 10.304 -9.037 1.00 0.38 O ATOM 330 N3 DT A 11 -3.884 11.196 -6.934 1.00 0.33 N ATOM 331 C4 DT A 11 -4.471 11.633 -5.760 1.00 0.33 C ATOM 332 O4 DT A 11 -3.786 12.084 -4.846 1.00 0.34 O ATOM 333 C5 DT A 11 -5.910 11.504 -5.740 1.00 0.35 C ATOM 334 C7 DT A 11 -6.685 11.950 -4.504 1.00 0.39 C ATOM 335 C6 DT A 11 -6.579 10.996 -6.796 1.00 0.37 C ATOM 0 H5' DT A 11 -10.073 11.961 -10.007 1.00 0.48 H new ATOM 0 H5'' DT A 11 -10.842 10.402 -10.229 1.00 0.48 H new ATOM 0 H4' DT A 11 -8.651 10.424 -11.216 1.00 0.46 H new ATOM 0 H3' DT A 11 -9.479 8.384 -9.430 1.00 0.51 H new ATOM 0 H2' DT A 11 -7.810 8.749 -7.750 1.00 0.47 H new ATOM 0 H2'' DT A 11 -6.811 7.872 -8.892 1.00 0.47 H new ATOM 0 H1' DT A 11 -5.916 9.805 -9.837 1.00 0.41 H new ATOM 0 H3 DT A 11 -2.868 11.267 -6.997 1.00 0.33 H new ATOM 0 H71 DT A 11 -7.677 12.290 -4.800 1.00 0.39 H new ATOM 0 H72 DT A 11 -6.780 11.113 -3.812 1.00 0.39 H new ATOM 0 H73 DT A 11 -6.152 12.766 -4.015 1.00 0.39 H new ATOM 0 H6 DT A 11 -7.655 10.912 -6.751 1.00 0.37 H new ATOM 348 P DC A 12 -7.856 6.530 -10.913 1.00 0.60 P ATOM 349 OP1 DC A 12 -8.087 5.951 -12.255 1.00 0.69 O ATOM 350 OP2 DC A 12 -8.557 5.969 -9.737 1.00 0.64 O ATOM 351 O5' DC A 12 -6.273 6.498 -10.618 1.00 0.54 O ATOM 352 C5' DC A 12 -5.338 6.885 -11.628 1.00 0.55 C ATOM 353 C4' DC A 12 -3.898 6.732 -11.147 1.00 0.54 C ATOM 354 O4' DC A 12 -3.677 7.575 -10.014 1.00 0.58 O ATOM 355 C3' DC A 12 -3.535 5.302 -10.727 1.00 0.47 C ATOM 356 O3' DC A 12 -2.358 4.882 -11.430 1.00 0.51 O ATOM 357 C2' DC A 12 -3.236 5.407 -9.234 1.00 0.45 C ATOM 358 C1' DC A 12 -2.849 6.867 -9.102 1.00 0.53 C ATOM 359 N1 DC A 12 -3.058 7.436 -7.756 1.00 0.54 N ATOM 360 C2 DC A 12 -1.942 7.906 -7.083 1.00 0.56 C ATOM 361 O2 DC A 12 -0.832 7.834 -7.606 1.00 0.61 O ATOM 362 N3 DC A 12 -2.114 8.442 -5.843 1.00 0.58 N ATOM 363 C4 DC A 12 -3.330 8.511 -5.287 1.00 0.58 C ATOM 364 N4 DC A 12 -3.464 9.041 -4.071 1.00 0.62 N ATOM 365 C5 DC A 12 -4.485 8.026 -5.979 1.00 0.56 C ATOM 366 C6 DC A 12 -4.304 7.499 -7.205 1.00 0.54 C ATOM 0 H5' DC A 12 -5.519 7.921 -11.914 1.00 0.55 H new ATOM 0 H5'' DC A 12 -5.491 6.277 -12.519 1.00 0.55 H new ATOM 0 H4' DC A 12 -3.273 7.006 -11.997 1.00 0.54 H new ATOM 0 H3' DC A 12 -4.326 4.584 -10.944 1.00 0.47 H new ATOM 0 H2' DC A 12 -4.104 5.156 -8.624 1.00 0.45 H new ATOM 0 H2'' DC A 12 -2.429 4.740 -8.930 1.00 0.45 H new ATOM 0 H1' DC A 12 -1.781 6.953 -9.301 1.00 0.53 H new ATOM 0 H41 DC A 12 -4.386 9.098 -3.638 1.00 0.62 H new ATOM 0 H42 DC A 12 -2.645 9.389 -3.573 1.00 0.62 H new ATOM 0 H5 DC A 12 -5.467 8.081 -5.534 1.00 0.56 H new ATOM 0 H6 DC A 12 -5.153 7.123 -7.757 1.00 0.54 H new ATOM 378 P DG A 13 -1.791 3.384 -11.256 1.00 0.52 P ATOM 379 OP1 DG A 13 -1.058 3.016 -12.488 1.00 0.63 O ATOM 380 OP2 DG A 13 -2.894 2.526 -10.771 1.00 0.54 O ATOM 381 O5' DG A 13 -0.720 3.548 -10.064 1.00 0.48 O ATOM 382 C5' DG A 13 0.626 3.945 -10.343 1.00 0.57 C ATOM 383 C4' DG A 13 1.464 4.027 -9.070 1.00 0.56 C ATOM 384 O4' DG A 13 0.869 4.956 -8.156 1.00 0.50 O ATOM 385 C3' DG A 13 1.598 2.690 -8.332 1.00 0.53 C ATOM 386 O3' DG A 13 2.982 2.421 -8.084 1.00 0.65 O ATOM 387 C2' DG A 13 0.866 2.907 -7.011 1.00 0.41 C ATOM 388 C1' DG A 13 0.977 4.410 -6.845 1.00 0.41 C ATOM 389 N9 DG A 13 -0.085 5.003 -6.011 1.00 0.35 N ATOM 390 C8 DG A 13 -1.439 5.001 -6.221 1.00 0.38 C ATOM 391 N7 DG A 13 -2.122 5.605 -5.291 1.00 0.44 N ATOM 392 C5 DG A 13 -1.152 6.043 -4.395 1.00 0.41 C ATOM 393 C6 DG A 13 -1.297 6.765 -3.180 1.00 0.47 C ATOM 394 O6 DG A 13 -2.330 7.165 -2.648 1.00 0.58 O ATOM 395 N1 DG A 13 -0.068 7.004 -2.581 1.00 0.44 N ATOM 396 C2 DG A 13 1.151 6.600 -3.086 1.00 0.42 C ATOM 397 N2 DG A 13 2.226 6.922 -2.366 1.00 0.49 N ATOM 398 N3 DG A 13 1.289 5.921 -4.230 1.00 0.40 N ATOM 399 C4 DG A 13 0.099 5.678 -4.827 1.00 0.36 C ATOM 0 H5' DG A 13 0.624 4.915 -10.841 1.00 0.57 H new ATOM 0 H5'' DG A 13 1.080 3.234 -11.033 1.00 0.57 H new ATOM 0 H4' DG A 13 2.457 4.341 -9.393 1.00 0.56 H new ATOM 0 H3' DG A 13 1.192 1.851 -8.898 1.00 0.53 H new ATOM 0 H2' DG A 13 -0.171 2.575 -7.058 1.00 0.41 H new ATOM 0 H2'' DG A 13 1.336 2.368 -6.189 1.00 0.41 H new ATOM 0 H1' DG A 13 1.918 4.633 -6.342 1.00 0.41 H new ATOM 0 H8 DG A 13 -1.899 4.539 -7.082 1.00 0.38 H new ATOM 0 H1 DG A 13 -0.066 7.518 -1.700 1.00 0.44 H new ATOM 0 H21 DG A 13 3.155 6.651 -2.688 1.00 0.49 H new ATOM 0 H22 DG A 13 2.119 7.439 -1.494 1.00 0.49 H new ATOM 411 P DC A 14 3.427 1.141 -7.214 1.00 0.71 P ATOM 412 OP1 DC A 14 4.698 0.622 -7.767 1.00 0.91 O ATOM 413 OP2 DC A 14 2.258 0.242 -7.083 1.00 0.69 O ATOM 414 O5' DC A 14 3.731 1.785 -5.770 1.00 0.66 O ATOM 415 C5' DC A 14 4.787 2.735 -5.609 1.00 0.76 C ATOM 416 C4' DC A 14 4.948 3.156 -4.152 1.00 0.70 C ATOM 417 O4' DC A 14 3.709 3.670 -3.663 1.00 0.54 O ATOM 418 C3' DC A 14 5.365 2.015 -3.214 1.00 0.78 C ATOM 419 O3' DC A 14 6.585 2.365 -2.553 1.00 0.90 O ATOM 420 C2' DC A 14 4.234 1.914 -2.193 1.00 0.63 C ATOM 421 C1' DC A 14 3.586 3.282 -2.302 1.00 0.46 C ATOM 422 N1 DC A 14 2.155 3.306 -1.949 1.00 0.35 N ATOM 423 C2 DC A 14 1.805 3.925 -0.760 1.00 0.35 C ATOM 424 O2 DC A 14 2.672 4.426 -0.051 1.00 0.41 O ATOM 425 N3 DC A 14 0.489 3.957 -0.413 1.00 0.40 N ATOM 426 C4 DC A 14 -0.444 3.405 -1.201 1.00 0.43 C ATOM 427 N4 DC A 14 -1.725 3.453 -0.831 1.00 0.58 N ATOM 428 C5 DC A 14 -0.086 2.767 -2.431 1.00 0.40 C ATOM 429 C6 DC A 14 1.219 2.740 -2.764 1.00 0.37 C ATOM 0 H5' DC A 14 4.583 3.613 -6.221 1.00 0.76 H new ATOM 0 H5'' DC A 14 5.722 2.305 -5.969 1.00 0.76 H new ATOM 0 H4' DC A 14 5.742 3.902 -4.150 1.00 0.70 H new ATOM 0 H3' DC A 14 5.528 1.076 -3.743 1.00 0.78 H new ATOM 0 H2' DC A 14 3.537 1.112 -2.435 1.00 0.63 H new ATOM 0 H2'' DC A 14 4.608 1.719 -1.188 1.00 0.63 H new ATOM 0 H1' DC A 14 4.084 3.948 -1.598 1.00 0.46 H new ATOM 0 H41 DC A 14 -2.443 3.036 -1.423 1.00 0.58 H new ATOM 0 H42 DC A 14 -1.986 3.907 0.044 1.00 0.58 H new ATOM 0 H5 DC A 14 -0.835 2.323 -3.069 1.00 0.40 H new ATOM 0 H6 DC A 14 1.527 2.266 -3.684 1.00 0.37 H new ATOM 441 P DG A 15 7.164 1.447 -1.364 1.00 1.04 P ATOM 442 OP1 DG A 15 8.643 1.524 -1.395 1.00 1.29 O ATOM 443 OP2 DG A 15 6.493 0.129 -1.427 1.00 1.16 O ATOM 444 O5' DG A 15 6.648 2.211 -0.043 1.00 0.84 O ATOM 445 C5' DG A 15 7.158 3.506 0.289 1.00 0.79 C ATOM 446 C4' DG A 15 6.849 3.878 1.737 1.00 0.71 C ATOM 447 O4' DG A 15 5.428 3.893 1.938 1.00 0.58 O ATOM 448 C3' DG A 15 7.428 2.906 2.762 1.00 0.83 C ATOM 449 O3' DG A 15 7.827 3.587 3.956 1.00 0.90 O ATOM 450 C2' DG A 15 6.264 1.969 3.025 1.00 0.79 C ATOM 451 C1' DG A 15 5.100 2.939 2.953 1.00 0.61 C ATOM 452 N9 DG A 15 3.813 2.318 2.591 1.00 0.55 N ATOM 453 C8 DG A 15 3.536 1.457 1.563 1.00 0.61 C ATOM 454 N7 DG A 15 2.287 1.089 1.504 1.00 0.59 N ATOM 455 C5 DG A 15 1.690 1.754 2.570 1.00 0.52 C ATOM 456 C6 DG A 15 0.338 1.743 3.010 1.00 0.56 C ATOM 457 O6 DG A 15 -0.613 1.130 2.531 1.00 0.65 O ATOM 458 N1 DG A 15 0.158 2.551 4.124 1.00 0.57 N ATOM 459 C2 DG A 15 1.153 3.281 4.740 1.00 0.53 C ATOM 460 N2 DG A 15 0.787 3.999 5.802 1.00 0.63 N ATOM 461 N3 DG A 15 2.425 3.294 4.328 1.00 0.49 N ATOM 462 C4 DG A 15 2.618 2.509 3.242 1.00 0.48 C ATOM 0 H5' DG A 15 6.725 4.250 -0.379 1.00 0.79 H new ATOM 0 H5'' DG A 15 8.236 3.525 0.130 1.00 0.79 H new ATOM 0 H4' DG A 15 7.308 4.855 1.891 1.00 0.71 H new ATOM 0 H3' DG A 15 8.325 2.394 2.414 1.00 0.83 H new ATOM 0 H2' DG A 15 6.191 1.179 2.277 1.00 0.79 H new ATOM 0 H2'' DG A 15 6.337 1.482 3.997 1.00 0.79 H new ATOM 0 HO3' DG A 15 8.192 2.940 4.595 1.00 0.90 H new ATOM 0 H1' DG A 15 4.965 3.370 3.945 1.00 0.61 H new ATOM 0 H8 DG A 15 4.285 1.114 0.864 1.00 0.61 H new ATOM 0 H1 DG A 15 -0.781 2.609 4.517 1.00 0.57 H new ATOM 0 H21 DG A 15 1.477 4.560 6.301 1.00 0.63 H new ATOM 0 H22 DG A 15 -0.183 3.987 6.116 1.00 0.63 H new TER 475 DG A 15