USER MOD reduce.3.24.130724 H: found=0, std=0, add=240, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 240 hydrogens (58 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 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -7.957 -17.419 -5.342 1.00 0.00 O ATOM 2 C5' DC A 1 -8.213 -16.223 -4.639 1.00 0.00 C ATOM 3 C4' DC A 1 -7.879 -16.397 -3.152 1.00 0.00 C ATOM 4 O4' DC A 1 -6.483 -16.647 -3.054 1.00 0.00 O ATOM 5 C3' DC A 1 -8.191 -15.119 -2.361 1.00 0.00 C ATOM 6 O3' DC A 1 -8.987 -15.462 -1.243 1.00 0.00 O ATOM 7 C2' DC A 1 -6.806 -14.635 -1.958 1.00 0.00 C ATOM 8 C1' DC A 1 -5.941 -15.876 -1.998 1.00 0.00 C ATOM 9 N1 DC A 1 -4.554 -15.455 -2.334 1.00 0.00 N ATOM 10 C2 DC A 1 -3.702 -15.109 -1.283 1.00 0.00 C ATOM 11 O2 DC A 1 -4.006 -15.336 -0.114 1.00 0.00 O ATOM 12 N3 DC A 1 -2.515 -14.507 -1.578 1.00 0.00 N ATOM 13 C4 DC A 1 -2.170 -14.222 -2.841 1.00 0.00 C ATOM 14 N4 DC A 1 -1.009 -13.602 -3.065 1.00 0.00 N ATOM 15 C5 DC A 1 -3.038 -14.545 -3.937 1.00 0.00 C ATOM 16 C6 DC A 1 -4.209 -15.154 -3.633 1.00 0.00 C ATOM 0 H5' DC A 1 -9.260 -15.943 -4.753 1.00 0.00 H new ATOM 0 H5'' DC A 1 -7.619 -15.412 -5.060 1.00 0.00 H new ATOM 0 H4' DC A 1 -8.474 -17.214 -2.743 1.00 0.00 H new ATOM 0 H3' DC A 1 -8.747 -14.356 -2.906 1.00 0.00 H new ATOM 0 H2' DC A 1 -6.437 -13.873 -2.644 1.00 0.00 H new ATOM 0 H2'' DC A 1 -6.816 -14.190 -0.963 1.00 0.00 H new ATOM 0 HO5' DC A 1 -8.176 -17.295 -6.289 1.00 0.00 H new ATOM 0 H1' DC A 1 -5.919 -16.430 -1.060 1.00 0.00 H new ATOM 0 H41 DC A 1 -0.727 -13.376 -4.019 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.404 -13.355 -2.282 1.00 0.00 H new ATOM 0 H5 DC A 1 -2.770 -14.313 -4.957 1.00 0.00 H new ATOM 0 H6 DC A 1 -4.891 -15.410 -4.431 1.00 0.00 H new ATOM 29 P DG A 2 -9.623 -14.346 -0.266 1.00 0.00 P ATOM 30 OP1 DG A 2 -10.597 -15.017 0.623 1.00 0.00 O ATOM 31 OP2 DG A 2 -10.056 -13.194 -1.088 1.00 0.00 O ATOM 32 O5' DG A 2 -8.362 -13.881 0.624 1.00 0.00 O ATOM 33 C5' DG A 2 -7.578 -14.816 1.346 1.00 0.00 C ATOM 34 C4' DG A 2 -6.877 -14.152 2.544 1.00 0.00 C ATOM 35 O4' DG A 2 -5.589 -13.747 2.107 1.00 0.00 O ATOM 36 C3' DG A 2 -7.596 -12.898 3.057 1.00 0.00 C ATOM 37 O3' DG A 2 -7.408 -12.817 4.462 1.00 0.00 O ATOM 38 C2' DG A 2 -6.836 -11.809 2.303 1.00 0.00 C ATOM 39 C1' DG A 2 -5.410 -12.366 2.356 1.00 0.00 C ATOM 40 N9 DG A 2 -4.482 -11.912 1.280 1.00 0.00 N ATOM 41 C8 DG A 2 -4.730 -11.706 -0.061 1.00 0.00 C ATOM 42 N7 DG A 2 -3.663 -11.496 -0.779 1.00 0.00 N ATOM 43 C5 DG A 2 -2.624 -11.535 0.141 1.00 0.00 C ATOM 44 C6 DG A 2 -1.220 -11.359 -0.054 1.00 0.00 C ATOM 45 O6 DG A 2 -0.604 -11.265 -1.113 1.00 0.00 O ATOM 46 N1 DG A 2 -0.522 -11.294 1.147 1.00 0.00 N ATOM 47 C2 DG A 2 -1.093 -11.479 2.391 1.00 0.00 C ATOM 48 N2 DG A 2 -0.289 -11.351 3.451 1.00 0.00 N ATOM 49 N3 DG A 2 -2.398 -11.751 2.567 1.00 0.00 N ATOM 50 C4 DG A 2 -3.116 -11.748 1.409 1.00 0.00 C ATOM 0 H5' DG A 2 -6.832 -15.256 0.684 1.00 0.00 H new ATOM 0 H5'' DG A 2 -8.212 -15.630 1.698 1.00 0.00 H new ATOM 0 H4' DG A 2 -6.859 -14.878 3.357 1.00 0.00 H new ATOM 0 H3' DG A 2 -8.673 -12.852 2.899 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.194 -11.687 1.281 1.00 0.00 H new ATOM 0 H2'' DG A 2 -6.918 -10.836 2.788 1.00 0.00 H new ATOM 0 H1' DG A 2 -4.968 -12.053 3.302 1.00 0.00 H new ATOM 0 H8 DG A 2 -5.725 -11.718 -0.481 1.00 0.00 H new ATOM 0 H1 DG A 2 0.478 -11.097 1.107 1.00 0.00 H new ATOM 0 H21 DG A 2 -0.662 -11.478 4.392 1.00 0.00 H new ATOM 0 H22 DG A 2 0.697 -11.127 3.319 1.00 0.00 H new ATOM 62 P DC A 3 -7.950 -11.576 5.348 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.156 -12.055 6.733 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.066 -10.930 4.623 1.00 0.00 O ATOM 65 O5' DC A 3 -6.692 -10.564 5.344 1.00 0.00 O ATOM 66 C5' DC A 3 -5.497 -10.894 6.024 1.00 0.00 C ATOM 67 C4' DC A 3 -4.404 -9.832 5.847 1.00 0.00 C ATOM 68 O4' DC A 3 -3.914 -10.035 4.542 1.00 0.00 O ATOM 69 C3' DC A 3 -4.838 -8.351 5.897 1.00 0.00 C ATOM 70 O3' DC A 3 -4.539 -7.716 7.127 1.00 0.00 O ATOM 71 C2' DC A 3 -4.051 -7.735 4.739 1.00 0.00 C ATOM 72 C1' DC A 3 -3.185 -8.880 4.232 1.00 0.00 C ATOM 73 N1 DC A 3 -3.047 -8.761 2.774 1.00 0.00 N ATOM 74 C2 DC A 3 -1.866 -8.254 2.244 1.00 0.00 C ATOM 75 O2 DC A 3 -0.875 -8.071 2.945 1.00 0.00 O ATOM 76 N3 DC A 3 -1.833 -7.963 0.915 1.00 0.00 N ATOM 77 C4 DC A 3 -2.927 -8.075 0.150 1.00 0.00 C ATOM 78 N4 DC A 3 -2.784 -7.919 -1.169 1.00 0.00 N ATOM 79 C5 DC A 3 -4.183 -8.459 0.729 1.00 0.00 C ATOM 80 C6 DC A 3 -4.174 -8.833 2.012 1.00 0.00 C ATOM 0 H5' DC A 3 -5.129 -11.853 5.659 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.710 -11.017 7.086 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.713 -9.963 6.680 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.918 -8.235 5.812 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.715 -7.361 3.959 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.444 -6.893 5.072 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.187 -8.888 4.671 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.595 -7.997 -1.783 1.00 0.00 H new ATOM 0 H42 DC A 3 -1.864 -7.721 -1.562 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.096 -8.446 0.153 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.086 -9.203 2.457 1.00 0.00 H new ATOM 92 P DT A 4 -5.104 -6.236 7.485 1.00 0.00 P ATOM 93 OP1 DT A 4 -4.926 -6.039 8.941 1.00 0.00 O ATOM 94 OP2 DT A 4 -6.452 -6.089 6.892 1.00 0.00 O ATOM 95 O5' DT A 4 -4.123 -5.201 6.719 1.00 0.00 O ATOM 96 C5' DT A 4 -4.032 -3.844 7.124 1.00 0.00 C ATOM 97 C4' DT A 4 -2.940 -3.090 6.354 1.00 0.00 C ATOM 98 O4' DT A 4 -3.301 -3.001 4.996 1.00 0.00 O ATOM 99 C3' DT A 4 -2.774 -1.639 6.833 1.00 0.00 C ATOM 100 O3' DT A 4 -1.551 -1.534 7.544 1.00 0.00 O ATOM 101 C2' DT A 4 -2.780 -0.818 5.536 1.00 0.00 C ATOM 102 C1' DT A 4 -2.596 -1.896 4.475 1.00 0.00 C ATOM 103 N1 DT A 4 -3.178 -1.569 3.147 1.00 0.00 N ATOM 104 C2 DT A 4 -2.298 -1.401 2.083 1.00 0.00 C ATOM 105 O2 DT A 4 -1.088 -1.250 2.229 1.00 0.00 O ATOM 106 N3 DT A 4 -2.860 -1.415 0.818 1.00 0.00 N ATOM 107 C4 DT A 4 -4.206 -1.539 0.515 1.00 0.00 C ATOM 108 O4 DT A 4 -4.567 -1.581 -0.659 1.00 0.00 O ATOM 109 C5 DT A 4 -5.068 -1.607 1.683 1.00 0.00 C ATOM 110 C7 DT A 4 -6.571 -1.696 1.500 1.00 0.00 C ATOM 111 C6 DT A 4 -4.538 -1.617 2.933 1.00 0.00 C ATOM 0 H5' DT A 4 -3.821 -3.797 8.192 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.992 -3.353 6.967 1.00 0.00 H new ATOM 0 H4' DT A 4 -2.016 -3.644 6.516 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.552 -1.291 7.513 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.714 -0.271 5.404 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.975 -0.084 5.515 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.532 -2.047 4.294 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.219 -1.325 0.030 1.00 0.00 H new ATOM 0 H71 DT A 4 -7.007 -2.248 2.333 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.994 -0.692 1.470 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.794 -2.212 0.566 1.00 0.00 H new ATOM 0 H6 DT A 4 -5.202 -1.664 3.784 1.00 0.00 H new ATOM 124 P DA A 5 -1.105 -0.176 8.299 1.00 0.00 P ATOM 125 OP1 DA A 5 -0.247 -0.550 9.445 1.00 0.00 O ATOM 126 OP2 DA A 5 -2.312 0.649 8.528 1.00 0.00 O ATOM 127 O5' DA A 5 -0.190 0.585 7.209 1.00 0.00 O ATOM 128 C5' DA A 5 1.141 0.189 6.940 1.00 0.00 C ATOM 129 C4' DA A 5 1.927 1.103 6.010 1.00 0.00 C ATOM 130 O4' DA A 5 1.286 1.078 4.741 1.00 0.00 O ATOM 131 C3' DA A 5 1.854 2.502 6.603 1.00 0.00 C ATOM 132 O3' DA A 5 2.948 3.314 6.246 1.00 0.00 O ATOM 133 C2' DA A 5 0.646 2.993 5.845 1.00 0.00 C ATOM 134 C1' DA A 5 0.789 2.369 4.455 1.00 0.00 C ATOM 135 N9 DA A 5 -0.509 2.190 3.752 1.00 0.00 N ATOM 136 C8 DA A 5 -1.811 2.349 4.183 1.00 0.00 C ATOM 137 N7 DA A 5 -2.712 2.201 3.252 1.00 0.00 N ATOM 138 C5 DA A 5 -1.965 1.891 2.126 1.00 0.00 C ATOM 139 C6 DA A 5 -2.309 1.626 0.785 1.00 0.00 C ATOM 140 N6 DA A 5 -3.564 1.671 0.321 1.00 0.00 N ATOM 141 N1 DA A 5 -1.323 1.286 -0.061 1.00 0.00 N ATOM 142 C2 DA A 5 -0.070 1.236 0.381 1.00 0.00 C ATOM 143 N3 DA A 5 0.385 1.489 1.599 1.00 0.00 N ATOM 144 C4 DA A 5 -0.629 1.822 2.438 1.00 0.00 C ATOM 0 H5' DA A 5 1.122 -0.811 6.506 1.00 0.00 H new ATOM 0 H5'' DA A 5 1.677 0.116 7.886 1.00 0.00 H new ATOM 0 H4' DA A 5 2.966 0.794 5.899 1.00 0.00 H new ATOM 0 H3' DA A 5 1.831 2.519 7.693 1.00 0.00 H new ATOM 0 H2' DA A 5 -0.280 2.680 6.328 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.626 4.082 5.792 1.00 0.00 H new ATOM 0 H1' DA A 5 1.406 2.998 3.814 1.00 0.00 H new ATOM 0 H8 DA A 5 -2.063 2.577 5.208 1.00 0.00 H new ATOM 0 H61 DA A 5 -3.752 1.469 -0.661 1.00 0.00 H new ATOM 0 H62 DA A 5 -4.332 1.907 0.950 1.00 0.00 H new ATOM 0 H2 DA A 5 0.674 0.952 -0.348 1.00 0.00 H new ATOM 156 P DG A 6 4.437 3.202 6.879 1.00 0.00 P ATOM 157 OP1 DG A 6 5.059 1.941 6.414 1.00 0.00 O ATOM 158 OP2 DG A 6 4.369 3.517 8.322 1.00 0.00 O ATOM 159 O5' DG A 6 5.141 4.437 6.098 1.00 0.00 O ATOM 160 C5' DG A 6 4.513 4.916 4.928 1.00 0.00 C ATOM 161 C4' DG A 6 5.290 5.806 3.964 1.00 0.00 C ATOM 162 O4' DG A 6 4.304 6.339 3.102 1.00 0.00 O ATOM 163 C3' DG A 6 5.918 6.989 4.685 1.00 0.00 C ATOM 164 O3' DG A 6 6.950 7.620 3.948 1.00 0.00 O ATOM 165 C2' DG A 6 4.747 7.953 4.757 1.00 0.00 C ATOM 166 C1' DG A 6 4.166 7.722 3.362 1.00 0.00 C ATOM 167 N9 DG A 6 2.748 8.085 3.172 1.00 0.00 N ATOM 168 C8 DG A 6 1.785 8.526 4.048 1.00 0.00 C ATOM 169 N7 DG A 6 0.615 8.706 3.498 1.00 0.00 N ATOM 170 C5 DG A 6 0.807 8.341 2.168 1.00 0.00 C ATOM 171 C6 DG A 6 -0.125 8.202 1.096 1.00 0.00 C ATOM 172 O6 DG A 6 -1.336 8.413 1.106 1.00 0.00 O ATOM 173 N1 DG A 6 0.488 7.764 -0.076 1.00 0.00 N ATOM 174 C2 DG A 6 1.820 7.421 -0.193 1.00 0.00 C ATOM 175 N2 DG A 6 2.257 6.983 -1.377 1.00 0.00 N ATOM 176 N3 DG A 6 2.678 7.487 0.829 1.00 0.00 N ATOM 177 C4 DG A 6 2.111 7.961 1.969 1.00 0.00 C ATOM 0 H5' DG A 6 3.626 5.468 5.237 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.169 4.049 4.365 1.00 0.00 H new ATOM 0 H4' DG A 6 6.079 5.239 3.471 1.00 0.00 H new ATOM 0 H3' DG A 6 6.372 6.687 5.629 1.00 0.00 H new ATOM 0 H2' DG A 6 4.045 7.705 5.553 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.059 8.985 4.918 1.00 0.00 H new ATOM 0 H1' DG A 6 4.712 8.378 2.684 1.00 0.00 H new ATOM 0 H8 DG A 6 1.979 8.707 5.095 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.092 7.691 -0.912 1.00 0.00 H new ATOM 0 H21 DG A 6 3.236 6.722 -1.495 1.00 0.00 H new ATOM 0 H22 DG A 6 1.612 6.910 -2.163 1.00 0.00 H new ATOM 189 P DC A 7 8.242 6.830 3.389 1.00 0.00 P ATOM 190 OP1 DC A 7 7.847 6.041 2.200 1.00 0.00 O ATOM 191 OP2 DC A 7 8.892 6.151 4.532 1.00 0.00 O ATOM 192 O5' DC A 7 9.217 8.021 2.899 1.00 0.00 O ATOM 193 C5' DC A 7 8.761 9.175 2.205 1.00 0.00 C ATOM 194 C4' DC A 7 7.951 8.882 0.925 1.00 0.00 C ATOM 195 O4' DC A 7 6.568 8.868 1.291 1.00 0.00 O ATOM 196 C3' DC A 7 8.119 10.013 -0.103 1.00 0.00 C ATOM 197 O3' DC A 7 8.065 9.457 -1.412 1.00 0.00 O ATOM 198 C2' DC A 7 6.882 10.834 0.239 1.00 0.00 C ATOM 199 C1' DC A 7 5.866 9.730 0.411 1.00 0.00 C ATOM 200 N1 DC A 7 4.578 10.290 0.926 1.00 0.00 N ATOM 201 C2 DC A 7 3.461 10.318 0.073 1.00 0.00 C ATOM 202 O2 DC A 7 3.513 9.913 -1.088 1.00 0.00 O ATOM 203 N3 DC A 7 2.282 10.812 0.548 1.00 0.00 N ATOM 204 C4 DC A 7 2.200 11.343 1.776 1.00 0.00 C ATOM 205 N4 DC A 7 1.017 11.798 2.199 1.00 0.00 N ATOM 206 C5 DC A 7 3.362 11.455 2.615 1.00 0.00 C ATOM 207 C6 DC A 7 4.517 10.922 2.149 1.00 0.00 C ATOM 0 H5' DC A 7 9.623 9.787 1.940 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.144 9.768 2.881 1.00 0.00 H new ATOM 0 H4' DC A 7 8.293 7.940 0.496 1.00 0.00 H new ATOM 0 H3' DC A 7 9.048 10.582 -0.077 1.00 0.00 H new ATOM 0 H2' DC A 7 7.012 11.424 1.146 1.00 0.00 H new ATOM 0 H2'' DC A 7 6.611 11.528 -0.556 1.00 0.00 H new ATOM 0 H1' DC A 7 5.542 9.205 -0.488 1.00 0.00 H new ATOM 0 H41 DC A 7 0.931 12.206 3.130 1.00 0.00 H new ATOM 0 H42 DC A 7 0.200 11.737 1.591 1.00 0.00 H new ATOM 0 H5 DC A 7 3.316 11.944 3.577 1.00 0.00 H new ATOM 0 H6 DC A 7 5.411 10.994 2.750 1.00 0.00 H new ATOM 219 P DG A 8 8.498 10.288 -2.735 1.00 0.00 P ATOM 220 OP1 DG A 8 9.633 9.572 -3.360 1.00 0.00 O ATOM 221 OP2 DG A 8 8.660 11.708 -2.355 1.00 0.00 O ATOM 222 O5' DG A 8 7.219 10.145 -3.726 1.00 0.00 O ATOM 223 C5' DG A 8 5.916 10.539 -3.338 1.00 0.00 C ATOM 224 C4' DG A 8 5.447 11.868 -3.901 1.00 0.00 C ATOM 225 O4' DG A 8 4.206 11.994 -3.259 1.00 0.00 O ATOM 226 C3' DG A 8 6.194 13.139 -3.516 1.00 0.00 C ATOM 227 O3' DG A 8 7.165 13.486 -4.481 1.00 0.00 O ATOM 228 C2' DG A 8 5.052 14.159 -3.497 1.00 0.00 C ATOM 229 C1' DG A 8 3.780 13.303 -3.471 1.00 0.00 C ATOM 230 N9 DG A 8 2.940 13.612 -2.298 1.00 0.00 N ATOM 231 C8 DG A 8 3.301 13.528 -0.981 1.00 0.00 C ATOM 232 N7 DG A 8 2.357 13.843 -0.142 1.00 0.00 N ATOM 233 C5 DG A 8 1.278 14.143 -0.964 1.00 0.00 C ATOM 234 C6 DG A 8 -0.049 14.534 -0.621 1.00 0.00 C ATOM 235 O6 DG A 8 -0.534 14.655 0.501 1.00 0.00 O ATOM 236 N1 DG A 8 -0.830 14.795 -1.743 1.00 0.00 N ATOM 237 C2 DG A 8 -0.396 14.658 -3.049 1.00 0.00 C ATOM 238 N2 DG A 8 -1.268 14.958 -4.014 1.00 0.00 N ATOM 239 N3 DG A 8 0.846 14.265 -3.376 1.00 0.00 N ATOM 240 C4 DG A 8 1.631 14.028 -2.290 1.00 0.00 C ATOM 0 H5' DG A 8 5.878 10.590 -2.250 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.213 9.764 -3.645 1.00 0.00 H new ATOM 0 H4' DG A 8 5.533 11.820 -4.987 1.00 0.00 H new ATOM 0 H3' DG A 8 6.749 13.060 -2.581 1.00 0.00 H new ATOM 0 H2' DG A 8 5.113 14.808 -2.623 1.00 0.00 H new ATOM 0 H2'' DG A 8 5.080 14.804 -4.375 1.00 0.00 H new ATOM 0 HO3' DG A 8 7.624 14.306 -4.203 1.00 0.00 H new ATOM 0 H1' DG A 8 3.220 13.473 -4.391 1.00 0.00 H new ATOM 0 H8 DG A 8 4.288 13.225 -0.664 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.789 15.109 -1.592 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.995 14.873 -4.993 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.208 15.272 -3.772 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -9.701 18.803 -0.954 1.00 0.00 O ATOM 255 C5' DC B 1 -9.432 17.426 -1.112 1.00 0.00 C ATOM 256 C4' DC B 1 -8.410 17.207 -2.234 1.00 0.00 C ATOM 257 O4' DC B 1 -7.191 17.809 -1.831 1.00 0.00 O ATOM 258 C3' DC B 1 -8.139 15.713 -2.466 1.00 0.00 C ATOM 259 O3' DC B 1 -8.319 15.446 -3.843 1.00 0.00 O ATOM 260 C2' DC B 1 -6.691 15.553 -2.015 1.00 0.00 C ATOM 261 C1' DC B 1 -6.120 16.950 -2.174 1.00 0.00 C ATOM 262 N1 DC B 1 -5.011 17.115 -1.199 1.00 0.00 N ATOM 263 C2 DC B 1 -3.728 16.736 -1.598 1.00 0.00 C ATOM 264 O2 DC B 1 -3.487 16.427 -2.764 1.00 0.00 O ATOM 265 N3 DC B 1 -2.737 16.713 -0.663 1.00 0.00 N ATOM 266 C4 DC B 1 -2.982 17.021 0.619 1.00 0.00 C ATOM 267 N4 DC B 1 -1.982 16.920 1.501 1.00 0.00 N ATOM 268 C5 DC B 1 -4.303 17.369 1.062 1.00 0.00 C ATOM 269 C6 DC B 1 -5.276 17.392 0.122 1.00 0.00 C ATOM 0 H5' DC B 1 -10.354 16.893 -1.342 1.00 0.00 H new ATOM 0 H5'' DC B 1 -9.050 17.014 -0.178 1.00 0.00 H new ATOM 0 H4' DC B 1 -8.803 17.638 -3.154 1.00 0.00 H new ATOM 0 H3' DC B 1 -8.794 15.025 -1.932 1.00 0.00 H new ATOM 0 H2' DC B 1 -6.627 15.207 -0.983 1.00 0.00 H new ATOM 0 H2'' DC B 1 -6.156 14.828 -2.628 1.00 0.00 H new ATOM 0 HO5' DC B 1 -10.356 18.928 -0.236 1.00 0.00 H new ATOM 0 H1' DC B 1 -5.735 17.152 -3.174 1.00 0.00 H new ATOM 0 H41 DC B 1 -2.142 17.148 2.482 1.00 0.00 H new ATOM 0 H42 DC B 1 -1.059 16.615 1.193 1.00 0.00 H new ATOM 0 H5 DC B 1 -4.510 17.601 2.096 1.00 0.00 H new ATOM 0 H6 DC B 1 -6.287 17.634 0.416 1.00 0.00 H new ATOM 282 P DG B 2 -8.200 13.959 -4.459 1.00 0.00 P ATOM 283 OP1 DG B 2 -8.781 13.979 -5.820 1.00 0.00 O ATOM 284 OP2 DG B 2 -8.704 12.990 -3.461 1.00 0.00 O ATOM 285 O5' DG B 2 -6.608 13.758 -4.598 1.00 0.00 O ATOM 286 C5' DG B 2 -5.790 14.716 -5.240 1.00 0.00 C ATOM 287 C4' DG B 2 -4.636 14.042 -5.999 1.00 0.00 C ATOM 288 O4' DG B 2 -3.672 13.652 -5.034 1.00 0.00 O ATOM 289 C3' DG B 2 -5.062 12.783 -6.757 1.00 0.00 C ATOM 290 O3' DG B 2 -4.237 12.658 -7.907 1.00 0.00 O ATOM 291 C2' DG B 2 -4.768 11.714 -5.713 1.00 0.00 C ATOM 292 C1' DG B 2 -3.489 12.247 -5.056 1.00 0.00 C ATOM 293 N9 DG B 2 -3.298 11.878 -3.624 1.00 0.00 N ATOM 294 C8 DG B 2 -4.217 11.957 -2.600 1.00 0.00 C ATOM 295 N7 DG B 2 -3.722 11.750 -1.413 1.00 0.00 N ATOM 296 C5 DG B 2 -2.374 11.517 -1.646 1.00 0.00 C ATOM 297 C6 DG B 2 -1.319 11.277 -0.712 1.00 0.00 C ATOM 298 O6 DG B 2 -1.382 11.254 0.514 1.00 0.00 O ATOM 299 N1 DG B 2 -0.095 11.052 -1.333 1.00 0.00 N ATOM 300 C2 DG B 2 0.103 11.106 -2.698 1.00 0.00 C ATOM 301 N2 DG B 2 1.340 10.837 -3.132 1.00 0.00 N ATOM 302 N3 DG B 2 -0.878 11.398 -3.576 1.00 0.00 N ATOM 303 C4 DG B 2 -2.099 11.584 -2.994 1.00 0.00 C ATOM 0 H5' DG B 2 -5.387 15.408 -4.501 1.00 0.00 H new ATOM 0 H5'' DG B 2 -6.390 15.304 -5.934 1.00 0.00 H new ATOM 0 H4' DG B 2 -4.258 14.754 -6.732 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.089 12.751 -7.120 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.582 11.611 -4.995 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.616 10.734 -6.165 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.642 11.845 -5.611 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.262 12.173 -2.768 1.00 0.00 H new ATOM 0 H1 DG B 2 0.707 10.833 -0.742 1.00 0.00 H new ATOM 0 H21 DG B 2 1.547 10.861 -4.131 1.00 0.00 H new ATOM 0 H22 DG B 2 2.076 10.608 -2.464 1.00 0.00 H new ATOM 315 P DC B 3 -4.301 11.386 -8.910 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.790 11.816 -10.230 1.00 0.00 O ATOM 317 OP2 DC B 3 -5.645 10.774 -8.808 1.00 0.00 O ATOM 318 O5' DC B 3 -3.230 10.360 -8.264 1.00 0.00 O ATOM 319 C5' DC B 3 -1.850 10.674 -8.242 1.00 0.00 C ATOM 320 C4' DC B 3 -1.034 9.641 -7.458 1.00 0.00 C ATOM 321 O4' DC B 3 -1.444 9.795 -6.119 1.00 0.00 O ATOM 322 C3' DC B 3 -1.259 8.152 -7.796 1.00 0.00 C ATOM 323 O3' DC B 3 -0.184 7.605 -8.541 1.00 0.00 O ATOM 324 C2' DC B 3 -1.381 7.511 -6.411 1.00 0.00 C ATOM 325 C1' DC B 3 -0.999 8.641 -5.469 1.00 0.00 C ATOM 326 N1 DC B 3 -1.695 8.485 -4.183 1.00 0.00 N ATOM 327 C2 DC B 3 -0.988 8.029 -3.076 1.00 0.00 C ATOM 328 O2 DC B 3 0.223 7.839 -3.128 1.00 0.00 O ATOM 329 N3 DC B 3 -1.676 7.795 -1.924 1.00 0.00 N ATOM 330 C4 DC B 3 -3.007 7.913 -1.872 1.00 0.00 C ATOM 331 N4 DC B 3 -3.609 7.790 -0.686 1.00 0.00 N ATOM 332 C5 DC B 3 -3.747 8.229 -3.059 1.00 0.00 C ATOM 333 C6 DC B 3 -3.053 8.539 -4.155 1.00 0.00 C ATOM 0 H5' DC B 3 -1.710 11.659 -7.796 1.00 0.00 H new ATOM 0 H5'' DC B 3 -1.476 10.730 -9.264 1.00 0.00 H new ATOM 0 H4' DC B 3 0.012 9.837 -7.695 1.00 0.00 H new ATOM 0 H3' DC B 3 -2.131 7.983 -8.428 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.393 7.153 -6.221 1.00 0.00 H new ATOM 0 H2'' DC B 3 -0.715 6.655 -6.304 1.00 0.00 H new ATOM 0 H1' DC B 3 0.069 8.665 -5.253 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.623 7.876 -0.618 1.00 0.00 H new ATOM 0 H42 DC B 3 -3.055 7.611 0.151 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.827 8.216 -3.065 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.585 8.841 -5.045 1.00 0.00 H new ATOM 345 P DT B 4 -0.280 6.144 -9.241 1.00 0.00 P ATOM 346 OP1 DT B 4 0.581 6.173 -10.444 1.00 0.00 O ATOM 347 OP2 DT B 4 -1.709 5.779 -9.378 1.00 0.00 O ATOM 348 O5' DT B 4 0.381 5.110 -8.192 1.00 0.00 O ATOM 349 C5' DT B 4 0.642 3.771 -8.581 1.00 0.00 C ATOM 350 C4' DT B 4 1.190 2.951 -7.408 1.00 0.00 C ATOM 351 O4' DT B 4 0.176 2.861 -6.431 1.00 0.00 O ATOM 352 C3' DT B 4 1.505 1.503 -7.810 1.00 0.00 C ATOM 353 O3' DT B 4 2.909 1.335 -7.933 1.00 0.00 O ATOM 354 C2' DT B 4 0.896 0.669 -6.676 1.00 0.00 C ATOM 355 C1' DT B 4 0.468 1.720 -5.658 1.00 0.00 C ATOM 356 N1 DT B 4 -0.763 1.354 -4.907 1.00 0.00 N ATOM 357 C2 DT B 4 -0.667 1.214 -3.526 1.00 0.00 C ATOM 358 O2 DT B 4 0.403 1.198 -2.923 1.00 0.00 O ATOM 359 N3 DT B 4 -1.864 1.090 -2.842 1.00 0.00 N ATOM 360 C4 DT B 4 -3.134 1.095 -3.392 1.00 0.00 C ATOM 361 O4 DT B 4 -4.118 1.046 -2.658 1.00 0.00 O ATOM 362 C5 DT B 4 -3.147 1.163 -4.842 1.00 0.00 C ATOM 363 C7 DT B 4 -4.474 1.127 -5.576 1.00 0.00 C ATOM 364 C6 DT B 4 -1.986 1.284 -5.537 1.00 0.00 C ATOM 0 H5' DT B 4 1.359 3.761 -9.402 1.00 0.00 H new ATOM 0 H5'' DT B 4 -0.274 3.312 -8.953 1.00 0.00 H new ATOM 0 H4' DT B 4 2.098 3.443 -7.059 1.00 0.00 H new ATOM 0 H3' DT B 4 1.096 1.206 -8.776 1.00 0.00 H new ATOM 0 H2' DT B 4 0.049 0.076 -7.023 1.00 0.00 H new ATOM 0 H2'' DT B 4 1.621 -0.027 -6.255 1.00 0.00 H new ATOM 0 H1' DT B 4 1.255 1.851 -4.915 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.804 0.984 -1.829 1.00 0.00 H new ATOM 0 H71 DT B 4 -4.391 1.690 -6.505 1.00 0.00 H new ATOM 0 H72 DT B 4 -4.738 0.093 -5.801 1.00 0.00 H new ATOM 0 H73 DT B 4 -5.248 1.571 -4.950 1.00 0.00 H new ATOM 0 H6 DT B 4 -2.023 1.327 -6.616 1.00 0.00 H new ATOM 377 P DA B 5 3.582 -0.070 -8.374 1.00 0.00 P ATOM 378 OP1 DA B 5 4.874 0.225 -9.033 1.00 0.00 O ATOM 379 OP2 DA B 5 2.564 -0.874 -9.086 1.00 0.00 O ATOM 380 O5' DA B 5 3.890 -0.795 -6.966 1.00 0.00 O ATOM 381 C5' DA B 5 4.874 -0.297 -6.083 1.00 0.00 C ATOM 382 C4' DA B 5 4.977 -0.997 -4.736 1.00 0.00 C ATOM 383 O4' DA B 5 3.683 -0.943 -4.151 1.00 0.00 O ATOM 384 C3' DA B 5 5.366 -2.450 -4.972 1.00 0.00 C ATOM 385 O3' DA B 5 6.008 -3.035 -3.854 1.00 0.00 O ATOM 386 C2' DA B 5 3.978 -3.031 -5.084 1.00 0.00 C ATOM 387 C1' DA B 5 3.224 -2.267 -4.002 1.00 0.00 C ATOM 388 N9 DA B 5 1.751 -2.278 -4.156 1.00 0.00 N ATOM 389 C8 DA B 5 0.963 -2.517 -5.258 1.00 0.00 C ATOM 390 N7 DA B 5 -0.320 -2.489 -5.018 1.00 0.00 N ATOM 391 C5 DA B 5 -0.393 -2.201 -3.661 1.00 0.00 C ATOM 392 C6 DA B 5 -1.468 -2.035 -2.761 1.00 0.00 C ATOM 393 N6 DA B 5 -2.755 -2.142 -3.108 1.00 0.00 N ATOM 394 N1 DA B 5 -1.181 -1.726 -1.485 1.00 0.00 N ATOM 395 C2 DA B 5 0.090 -1.605 -1.116 1.00 0.00 C ATOM 396 N3 DA B 5 1.184 -1.748 -1.850 1.00 0.00 N ATOM 397 C4 DA B 5 0.867 -2.051 -3.136 1.00 0.00 C ATOM 0 H5' DA B 5 4.674 0.760 -5.907 1.00 0.00 H new ATOM 0 H5'' DA B 5 5.843 -0.360 -6.578 1.00 0.00 H new ATOM 0 H4' DA B 5 5.720 -0.528 -4.090 1.00 0.00 H new ATOM 0 H3' DA B 5 6.055 -2.599 -5.803 1.00 0.00 H new ATOM 0 H2' DA B 5 3.547 -2.870 -6.072 1.00 0.00 H new ATOM 0 H2'' DA B 5 3.970 -4.106 -4.904 1.00 0.00 H new ATOM 0 H1' DA B 5 3.408 -2.723 -3.029 1.00 0.00 H new ATOM 0 H8 DA B 5 1.371 -2.711 -6.239 1.00 0.00 H new ATOM 0 H61 DA B 5 -3.485 -2.010 -2.408 1.00 0.00 H new ATOM 0 H62 DA B 5 -3.007 -2.355 -4.073 1.00 0.00 H new ATOM 0 H2 DA B 5 0.253 -1.357 -0.078 1.00 0.00 H new ATOM 409 P DG B 6 7.509 -2.653 -3.372 1.00 0.00 P ATOM 410 OP1 DG B 6 7.450 -1.384 -2.611 1.00 0.00 O ATOM 411 OP2 DG B 6 8.425 -2.786 -4.525 1.00 0.00 O ATOM 412 O5' DG B 6 7.819 -3.848 -2.325 1.00 0.00 O ATOM 413 C5' DG B 6 6.755 -4.380 -1.561 1.00 0.00 C ATOM 414 C4' DG B 6 7.098 -5.327 -0.408 1.00 0.00 C ATOM 415 O4' DG B 6 5.883 -5.987 -0.115 1.00 0.00 O ATOM 416 C3' DG B 6 8.102 -6.390 -0.853 1.00 0.00 C ATOM 417 O3' DG B 6 8.882 -7.022 0.151 1.00 0.00 O ATOM 418 C2' DG B 6 7.167 -7.440 -1.438 1.00 0.00 C ATOM 419 C1' DG B 6 5.990 -7.350 -0.459 1.00 0.00 C ATOM 420 N9 DG B 6 4.665 -7.794 -0.970 1.00 0.00 N ATOM 421 C8 DG B 6 4.277 -8.193 -2.230 1.00 0.00 C ATOM 422 N7 DG B 6 3.013 -8.472 -2.347 1.00 0.00 N ATOM 423 C5 DG B 6 2.498 -8.205 -1.088 1.00 0.00 C ATOM 424 C6 DG B 6 1.142 -8.179 -0.650 1.00 0.00 C ATOM 425 O6 DG B 6 0.129 -8.447 -1.293 1.00 0.00 O ATOM 426 N1 DG B 6 1.030 -7.785 0.679 1.00 0.00 N ATOM 427 C2 DG B 6 2.087 -7.395 1.476 1.00 0.00 C ATOM 428 N2 DG B 6 1.807 -7.073 2.743 1.00 0.00 N ATOM 429 N3 DG B 6 3.357 -7.362 1.046 1.00 0.00 N ATOM 430 C4 DG B 6 3.497 -7.782 -0.241 1.00 0.00 C ATOM 0 H5' DG B 6 6.089 -4.911 -2.241 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.190 -3.544 -1.149 1.00 0.00 H new ATOM 0 H4' DG B 6 7.527 -4.781 0.432 1.00 0.00 H new ATOM 0 H3' DG B 6 8.855 -5.932 -1.494 1.00 0.00 H new ATOM 0 H2' DG B 6 6.873 -7.208 -2.461 1.00 0.00 H new ATOM 0 H2'' DG B 6 7.617 -8.432 -1.453 1.00 0.00 H new ATOM 0 H1' DG B 6 6.212 -8.030 0.364 1.00 0.00 H new ATOM 0 H8 DG B 6 4.969 -8.268 -3.056 1.00 0.00 H new ATOM 0 H1 DG B 6 0.099 -7.784 1.095 1.00 0.00 H new ATOM 0 H21 DG B 6 2.554 -6.779 3.371 1.00 0.00 H new ATOM 0 H22 DG B 6 0.846 -7.122 3.081 1.00 0.00 H new ATOM 442 P DC B 7 9.461 -6.281 1.465 1.00 0.00 P ATOM 443 OP1 DC B 7 9.579 -4.825 1.228 1.00 0.00 O ATOM 444 OP2 DC B 7 10.634 -7.043 1.947 1.00 0.00 O ATOM 445 O5' DC B 7 8.225 -6.564 2.464 1.00 0.00 O ATOM 446 C5' DC B 7 8.105 -7.835 3.069 1.00 0.00 C ATOM 447 C4' DC B 7 6.743 -8.049 3.745 1.00 0.00 C ATOM 448 O4' DC B 7 5.761 -8.277 2.728 1.00 0.00 O ATOM 449 C3' DC B 7 6.833 -9.334 4.582 1.00 0.00 C ATOM 450 O3' DC B 7 5.991 -9.201 5.720 1.00 0.00 O ATOM 451 C2' DC B 7 6.307 -10.319 3.541 1.00 0.00 C ATOM 452 C1' DC B 7 5.139 -9.520 3.001 1.00 0.00 C ATOM 453 N1 DC B 7 4.445 -10.185 1.845 1.00 0.00 N ATOM 454 C2 DC B 7 3.057 -10.386 1.934 1.00 0.00 C ATOM 455 O2 DC B 7 2.420 -10.114 2.950 1.00 0.00 O ATOM 456 N3 DC B 7 2.394 -10.898 0.861 1.00 0.00 N ATOM 457 C4 DC B 7 3.051 -11.294 -0.236 1.00 0.00 C ATOM 458 N4 DC B 7 2.342 -11.756 -1.271 1.00 0.00 N ATOM 459 C5 DC B 7 4.484 -11.245 -0.297 1.00 0.00 C ATOM 460 C6 DC B 7 5.131 -10.692 0.758 1.00 0.00 C ATOM 0 H5' DC B 7 8.895 -7.955 3.810 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.256 -8.607 2.314 1.00 0.00 H new ATOM 0 H4' DC B 7 6.481 -7.185 4.356 1.00 0.00 H new ATOM 0 H3' DC B 7 7.802 -9.611 4.997 1.00 0.00 H new ATOM 0 H2' DC B 7 7.046 -10.550 2.774 1.00 0.00 H new ATOM 0 H2'' DC B 7 5.997 -11.267 3.981 1.00 0.00 H new ATOM 0 H1' DC B 7 4.295 -9.416 3.683 1.00 0.00 H new ATOM 0 H41 DC B 7 2.818 -12.064 -2.119 1.00 0.00 H new ATOM 0 H42 DC B 7 1.325 -11.800 -1.213 1.00 0.00 H new ATOM 0 H5 DC B 7 5.024 -11.633 -1.148 1.00 0.00 H new ATOM 0 H6 DC B 7 6.210 -10.647 0.749 1.00 0.00 H new ATOM 472 P DG B 8 5.970 -10.283 6.925 1.00 0.00 P ATOM 473 OP1 DG B 8 6.521 -9.629 8.133 1.00 0.00 O ATOM 474 OP2 DG B 8 6.569 -11.544 6.437 1.00 0.00 O ATOM 475 O5' DG B 8 4.385 -10.520 7.155 1.00 0.00 O ATOM 476 C5' DG B 8 3.555 -10.965 6.101 1.00 0.00 C ATOM 477 C4' DG B 8 2.920 -12.316 6.343 1.00 0.00 C ATOM 478 O4' DG B 8 2.249 -12.474 5.122 1.00 0.00 O ATOM 479 C3' DG B 8 3.854 -13.518 6.429 1.00 0.00 C ATOM 480 O3' DG B 8 4.140 -13.863 7.766 1.00 0.00 O ATOM 481 C2' DG B 8 3.007 -14.599 5.750 1.00 0.00 C ATOM 482 C1' DG B 8 1.908 -13.817 5.018 1.00 0.00 C ATOM 483 N9 DG B 8 1.900 -14.054 3.561 1.00 0.00 N ATOM 484 C8 DG B 8 2.938 -13.872 2.683 1.00 0.00 C ATOM 485 N7 DG B 8 2.611 -14.002 1.430 1.00 0.00 N ATOM 486 C5 DG B 8 1.249 -14.275 1.475 1.00 0.00 C ATOM 487 C6 DG B 8 0.320 -14.446 0.408 1.00 0.00 C ATOM 488 O6 DG B 8 0.544 -14.398 -0.798 1.00 0.00 O ATOM 489 N1 DG B 8 -0.972 -14.692 0.865 1.00 0.00 N ATOM 490 C2 DG B 8 -1.333 -14.768 2.197 1.00 0.00 C ATOM 491 N2 DG B 8 -2.622 -14.991 2.467 1.00 0.00 N ATOM 492 N3 DG B 8 -0.462 -14.584 3.204 1.00 0.00 N ATOM 493 C4 DG B 8 0.807 -14.338 2.777 1.00 0.00 C ATOM 0 H5' DG B 8 4.143 -11.011 5.184 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.767 -10.229 5.938 1.00 0.00 H new ATOM 0 H4' DG B 8 2.381 -12.309 7.291 1.00 0.00 H new ATOM 0 H3' DG B 8 4.831 -13.354 5.974 1.00 0.00 H new ATOM 0 H2' DG B 8 3.602 -15.193 5.056 1.00 0.00 H new ATOM 0 H2'' DG B 8 2.585 -15.290 6.480 1.00 0.00 H new ATOM 0 HO3' DG B 8 4.740 -14.638 7.783 1.00 0.00 H new ATOM 0 H1' DG B 8 0.953 -14.113 5.453 1.00 0.00 H new ATOM 0 H8 DG B 8 3.943 -13.640 3.005 1.00 0.00 H new ATOM 0 H1 DG B 8 -1.704 -14.826 0.167 1.00 0.00 H new ATOM 0 H21 DG B 8 -2.937 -15.055 3.435 1.00 0.00 H new ATOM 0 H22 DG B 8 -3.292 -15.097 1.705 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -5.635 -4.910 3.649 1.00 0.00 C HETATM 508 C2 TOT A 9 -7.002 -5.214 3.578 1.00 0.00 C HETATM 509 C3 TOT A 9 -7.573 -5.522 2.336 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.799 -5.445 1.168 1.00 0.00 C HETATM 511 N5 TOT A 9 -4.533 -5.019 0.157 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.911 -5.018 -1.279 1.00 0.00 C HETATM 513 C7 TOT A 9 -3.275 -4.884 0.652 1.00 0.00 C HETATM 514 C8 TOT A 9 -2.117 -4.787 -0.243 1.00 0.00 C HETATM 515 S9 TOT A 9 -3.163 -4.844 2.295 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.840 -4.950 2.482 1.00 0.00 C HETATM 517 C11 TOT A 9 -5.416 -5.156 1.222 1.00 0.00 C HETATM 518 C12 TOT A 9 1.633 -4.747 -0.714 1.00 0.00 C HETATM 519 C13 TOT A 9 2.606 -5.177 -1.633 1.00 0.00 C HETATM 520 C14 TOT A 9 2.257 -5.507 -2.943 1.00 0.00 C HETATM 521 C15 TOT A 9 0.910 -5.536 -3.306 1.00 0.00 C HETATM 522 C16 TOT A 9 -0.086 -5.352 -2.328 1.00 0.00 C HETATM 523 C17 TOT A 9 0.253 -4.904 -1.022 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.724 -4.598 -0.022 1.00 0.00 C HETATM 525 C19 TOT A 9 -0.264 -4.080 1.206 1.00 0.00 C HETATM 526 C20 TOT A 9 1.087 -3.799 1.409 1.00 0.00 C HETATM 527 N21 TOT A 9 2.027 -4.160 0.486 1.00 0.00 N HETATM 528 C22 TOT A 9 3.424 -3.845 0.867 1.00 0.00 C HETATM 529 C23 TOT A 9 3.806 -4.012 2.352 1.00 0.00 C HETATM 530 C24 TOT A 9 5.332 -4.030 2.552 1.00 0.00 C HETATM 531 N25 TOT A 9 5.817 -3.348 3.790 1.00 0.00 N HETATM 532 C26 TOT A 9 5.483 -1.888 3.839 1.00 0.00 C HETATM 533 C27 TOT A 9 5.797 -1.114 2.547 1.00 0.00 C HETATM 534 C28 TOT A 9 7.291 -3.522 3.853 1.00 0.00 C HETATM 535 C29 TOT A 9 5.233 -4.003 4.988 1.00 0.00 C HETATM 536 C31 TOT A 9 -2.889 4.462 -6.185 1.00 0.00 C HETATM 537 C32 TOT A 9 -4.048 4.780 -6.904 1.00 0.00 C HETATM 538 C33 TOT A 9 -5.231 5.066 -6.209 1.00 0.00 C HETATM 539 C34 TOT A 9 -5.243 5.030 -4.806 1.00 0.00 C HETATM 540 N35 TOT A 9 -3.929 4.696 -2.685 1.00 0.00 N HETATM 541 C36 TOT A 9 -5.059 4.701 -1.720 1.00 0.00 C HETATM 542 C37 TOT A 9 -2.608 4.609 -2.375 1.00 0.00 C HETATM 543 C38 TOT A 9 -2.162 4.639 -0.973 1.00 0.00 C HETATM 544 S39 TOT A 9 -1.595 4.477 -3.670 1.00 0.00 S HETATM 545 C40 TOT A 9 -2.878 4.548 -4.775 1.00 0.00 C HETATM 546 C41 TOT A 9 -4.063 4.779 -4.065 1.00 0.00 C HETATM 547 C42 TOT A 9 0.560 4.803 1.641 1.00 0.00 C HETATM 548 C43 TOT A 9 0.791 5.344 2.916 1.00 0.00 C HETATM 549 C44 TOT A 9 -0.271 5.675 3.752 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.578 5.507 3.290 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.815 5.181 1.939 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.738 4.844 1.071 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.896 4.546 -0.323 1.00 0.00 C HETATM 554 C49 TOT A 9 0.257 4.145 -1.039 1.00 0.00 C HETATM 555 C50 TOT A 9 1.488 3.978 -0.393 1.00 0.00 C HETATM 556 N51 TOT A 9 1.620 4.243 0.944 1.00 0.00 N HETATM 557 C52 TOT A 9 2.929 3.922 1.558 1.00 0.00 C HETATM 558 C53 TOT A 9 3.528 2.531 1.264 1.00 0.00 C HETATM 559 C54 TOT A 9 5.032 2.531 1.615 1.00 0.00 C HETATM 560 N55 TOT A 9 5.726 1.214 1.506 1.00 0.00 N HETATM 561 C56 TOT A 9 5.352 0.353 2.670 1.00 0.00 C HETATM 562 C58 TOT A 9 7.187 1.490 1.541 1.00 0.00 C HETATM 563 C59 TOT A 9 5.406 0.565 0.207 1.00 0.00 C HETATM 0 H593 TOT A 9 4.330 0.406 0.135 1.00 0.00 H new HETATM 0 H592 TOT A 9 5.733 1.207 -0.611 1.00 0.00 H new HETATM 0 H591 TOT A 9 5.920 -0.394 0.143 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.455 2.137 0.706 1.00 0.00 H new HETATM 0 H582 TOT A 9 7.442 1.983 2.479 1.00 0.00 H new HETATM 0 H581 TOT A 9 7.736 0.552 1.464 1.00 0.00 H new HETATM 0 H562 TOT A 9 4.269 0.382 2.794 1.00 0.00 H new HETATM 0 H561 TOT A 9 5.788 0.777 3.574 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.538 3.242 0.962 1.00 0.00 H new HETATM 0 H541 TOT A 9 5.147 2.898 2.635 1.00 0.00 H new HETATM 0 H532 TOT A 9 3.008 1.770 1.846 1.00 0.00 H new HETATM 0 H531 TOT A 9 3.389 2.279 0.213 1.00 0.00 H new HETATM 0 H522 TOT A 9 3.648 4.674 1.232 1.00 0.00 H new HETATM 0 H521 TOT A 9 2.829 4.024 2.639 1.00 0.00 H new HETATM 0 H363 TOT A 9 -5.050 3.776 -1.144 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.956 5.550 -1.044 1.00 0.00 H new HETATM 0 H361 TOT A 9 -6.001 4.781 -2.263 1.00 0.00 H new HETATM 0 H293 TOT A 9 4.146 -3.939 4.944 1.00 0.00 H new HETATM 0 H292 TOT A 9 5.534 -5.050 5.013 1.00 0.00 H new HETATM 0 H291 TOT A 9 5.590 -3.501 5.887 1.00 0.00 H new HETATM 0 H283 TOT A 9 7.531 -4.585 3.887 1.00 0.00 H new HETATM 0 H282 TOT A 9 7.748 -3.075 2.970 1.00 0.00 H new HETATM 0 H281 TOT A 9 7.677 -3.034 4.748 1.00 0.00 H new HETATM 0 H272 TOT A 9 6.866 -1.159 2.341 1.00 0.00 H new HETATM 0 H271 TOT A 9 5.290 -1.583 1.704 1.00 0.00 H new HETATM 0 H262 TOT A 9 4.422 -1.779 4.063 1.00 0.00 H new HETATM 0 H261 TOT A 9 6.031 -1.431 4.663 1.00 0.00 H new HETATM 0 H242 TOT A 9 5.668 -5.067 2.572 1.00 0.00 H new HETATM 0 H241 TOT A 9 5.802 -3.559 1.689 1.00 0.00 H new HETATM 0 H232 TOT A 9 3.373 -3.197 2.932 1.00 0.00 H new HETATM 0 H231 TOT A 9 3.378 -4.939 2.735 1.00 0.00 H new HETATM 0 H222 TOT A 9 4.086 -4.477 0.275 1.00 0.00 H new HETATM 0 H221 TOT A 9 3.628 -2.813 0.580 1.00 0.00 H new HETATM 0 H8 TOT A 9 -2.378 -4.879 -1.297 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.617 -4.071 -1.732 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.405 -5.837 -1.789 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.990 -5.145 -1.371 1.00 0.00 H new HETATM 0 H50 TOT A 9 2.352 3.633 -0.961 1.00 0.00 H new HETATM 0 H49 TOT A 9 0.186 3.963 -2.111 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.835 5.187 1.554 1.00 0.00 H new HETATM 0 H45 TOT A 9 -2.417 5.628 3.975 1.00 0.00 H new HETATM 0 H44 TOT A 9 -0.085 6.060 4.754 1.00 0.00 H new HETATM 0 H43 TOT A 9 1.814 5.507 3.255 1.00 0.00 H new HETATM 0 H4 TOT A 9 -7.273 -5.611 0.201 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.987 4.760 -0.271 1.00 0.00 H new HETATM 0 H34 TOT A 9 -6.180 5.199 -4.276 1.00 0.00 H new HETATM 0 H33 TOT A 9 -6.140 5.316 -6.757 1.00 0.00 H new HETATM 0 H32 TOT A 9 -4.030 4.805 -7.994 1.00 0.00 H new HETATM 0 H31 TOT A 9 -1.991 4.147 -6.716 1.00 0.00 H new HETATM 0 H3 TOT A 9 -8.619 -5.822 2.277 1.00 0.00 H new HETATM 0 H20 TOT A 9 1.397 -3.284 2.318 1.00 0.00 H new HETATM 0 H2 TOT A 9 -7.614 -5.211 4.480 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.976 -3.896 2.010 1.00 0.00 H new HETATM 0 H16 TOT A 9 -1.128 -5.555 -2.575 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.629 -5.701 -4.346 1.00 0.00 H new HETATM 0 H14 TOT A 9 3.029 -5.740 -3.676 1.00 0.00 H new HETATM 0 H13 TOT A 9 3.647 -5.254 -1.318 1.00 0.00 H new HETATM 0 H1 TOT A 9 -5.185 -4.643 4.605 1.00 0.00 H new