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=-0.00074 (180deg=-0.00074) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot -28:sc= 0.00318 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 -10.661 -14.626 -5.037 1.00 0.00 O ATOM 2 C5' DC A 1 -10.571 -13.456 -4.253 1.00 0.00 C ATOM 3 C4' DC A 1 -10.114 -13.801 -2.830 1.00 0.00 C ATOM 4 O4' DC A 1 -8.799 -14.334 -2.918 1.00 0.00 O ATOM 5 C3' DC A 1 -10.064 -12.547 -1.945 1.00 0.00 C ATOM 6 O3' DC A 1 -10.790 -12.801 -0.758 1.00 0.00 O ATOM 7 C2' DC A 1 -8.573 -12.382 -1.695 1.00 0.00 C ATOM 8 C1' DC A 1 -7.988 -13.761 -1.908 1.00 0.00 C ATOM 9 N1 DC A 1 -6.595 -13.590 -2.409 1.00 0.00 N ATOM 10 C2 DC A 1 -5.570 -13.473 -1.467 1.00 0.00 C ATOM 11 O2 DC A 1 -5.760 -13.730 -0.280 1.00 0.00 O ATOM 12 N3 DC A 1 -4.341 -13.062 -1.890 1.00 0.00 N ATOM 13 C4 DC A 1 -4.112 -12.747 -3.172 1.00 0.00 C ATOM 14 N4 DC A 1 -2.902 -12.301 -3.520 1.00 0.00 N ATOM 15 C5 DC A 1 -5.150 -12.846 -4.157 1.00 0.00 C ATOM 16 C6 DC A 1 -6.363 -13.267 -3.728 1.00 0.00 C ATOM 0 H5' DC A 1 -11.540 -12.957 -4.220 1.00 0.00 H new ATOM 0 H5'' DC A 1 -9.868 -12.758 -4.709 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.816 -14.510 -2.390 1.00 0.00 H new ATOM 0 H3' DC A 1 -10.504 -11.648 -2.378 1.00 0.00 H new ATOM 0 H2' DC A 1 -8.135 -11.657 -2.381 1.00 0.00 H new ATOM 0 H2'' DC A 1 -8.379 -12.022 -0.684 1.00 0.00 H new ATOM 0 HO5' DC A 1 -10.955 -14.392 -5.942 1.00 0.00 H new ATOM 0 H1' DC A 1 -7.964 -14.376 -1.009 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.709 -12.056 -4.491 1.00 0.00 H new ATOM 0 H42 DC A 1 -2.171 -12.205 -2.815 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.972 -12.596 -5.193 1.00 0.00 H new ATOM 0 H6 DC A 1 -7.171 -13.352 -4.439 1.00 0.00 H new ATOM 29 P DG A 2 -11.070 -11.650 0.337 1.00 0.00 P ATOM 30 OP1 DG A 2 -12.063 -12.172 1.302 1.00 0.00 O ATOM 31 OP2 DG A 2 -11.335 -10.376 -0.369 1.00 0.00 O ATOM 32 O5' DG A 2 -9.652 -11.524 1.091 1.00 0.00 O ATOM 33 C5' DG A 2 -9.013 -12.655 1.657 1.00 0.00 C ATOM 34 C4' DG A 2 -8.048 -12.248 2.785 1.00 0.00 C ATOM 35 O4' DG A 2 -6.763 -12.108 2.199 1.00 0.00 O ATOM 36 C3' DG A 2 -8.398 -10.906 3.442 1.00 0.00 C ATOM 37 O3' DG A 2 -8.044 -10.975 4.814 1.00 0.00 O ATOM 38 C2' DG A 2 -7.498 -9.960 2.651 1.00 0.00 C ATOM 39 C1' DG A 2 -6.246 -10.824 2.488 1.00 0.00 C ATOM 40 N9 DG A 2 -5.373 -10.499 1.325 1.00 0.00 N ATOM 41 C8 DG A 2 -5.715 -10.105 0.047 1.00 0.00 C ATOM 42 N7 DG A 2 -4.711 -10.037 -0.780 1.00 0.00 N ATOM 43 C5 DG A 2 -3.613 -10.393 -0.008 1.00 0.00 C ATOM 44 C6 DG A 2 -2.232 -10.469 -0.362 1.00 0.00 C ATOM 45 O6 DG A 2 -1.726 -10.334 -1.473 1.00 0.00 O ATOM 46 N1 DG A 2 -1.415 -10.733 0.734 1.00 0.00 N ATOM 47 C2 DG A 2 -1.881 -10.965 2.014 1.00 0.00 C ATOM 48 N2 DG A 2 -0.967 -11.197 2.961 1.00 0.00 N ATOM 49 N3 DG A 2 -3.186 -10.957 2.334 1.00 0.00 N ATOM 50 C4 DG A 2 -4.001 -10.653 1.286 1.00 0.00 C ATOM 0 H5' DG A 2 -8.464 -13.191 0.882 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.764 -13.341 2.048 1.00 0.00 H new ATOM 0 H4' DG A 2 -8.102 -13.013 3.560 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.446 -10.608 3.421 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.934 -9.680 1.692 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.294 -9.035 3.191 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.637 -10.696 3.383 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.729 -9.873 -0.243 1.00 0.00 H new ATOM 0 H1 DG A 2 -0.407 -10.757 0.582 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.261 -11.374 3.921 1.00 0.00 H new ATOM 0 H22 DG A 2 0.025 -11.197 2.723 1.00 0.00 H new ATOM 62 P DC A 3 -8.178 -9.713 5.816 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.359 -10.236 7.189 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.165 -8.763 5.257 1.00 0.00 O ATOM 65 O5' DC A 3 -6.714 -9.039 5.720 1.00 0.00 O ATOM 66 C5' DC A 3 -5.577 -9.708 6.229 1.00 0.00 C ATOM 67 C4' DC A 3 -4.282 -8.910 6.017 1.00 0.00 C ATOM 68 O4' DC A 3 -3.977 -9.074 4.652 1.00 0.00 O ATOM 69 C3' DC A 3 -4.351 -7.386 6.261 1.00 0.00 C ATOM 70 O3' DC A 3 -3.694 -6.998 7.455 1.00 0.00 O ATOM 71 C2' DC A 3 -3.666 -6.816 5.017 1.00 0.00 C ATOM 72 C1' DC A 3 -3.072 -8.051 4.348 1.00 0.00 C ATOM 73 N1 DC A 3 -3.025 -7.863 2.891 1.00 0.00 N ATOM 74 C2 DC A 3 -1.803 -7.629 2.267 1.00 0.00 C ATOM 75 O2 DC A 3 -0.745 -7.719 2.881 1.00 0.00 O ATOM 76 N3 DC A 3 -1.806 -7.297 0.946 1.00 0.00 N ATOM 77 C4 DC A 3 -2.954 -7.119 0.278 1.00 0.00 C ATOM 78 N4 DC A 3 -2.893 -6.923 -1.042 1.00 0.00 N ATOM 79 C5 DC A 3 -4.216 -7.252 0.951 1.00 0.00 C ATOM 80 C6 DC A 3 -4.194 -7.666 2.220 1.00 0.00 C ATOM 0 H5' DC A 3 -5.484 -10.680 5.745 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.715 -9.894 7.294 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.560 -9.287 6.741 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.370 -7.024 6.398 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.375 -6.307 4.365 1.00 0.00 H new ATOM 0 H2'' DC A 3 -2.896 -6.090 5.279 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.057 -8.260 4.687 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.750 -6.785 -1.577 1.00 0.00 H new ATOM 0 H42 DC A 3 -1.989 -6.912 -1.515 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.146 -7.026 0.450 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.129 -7.850 2.729 1.00 0.00 H new ATOM 92 P DT A 4 -3.982 -5.569 8.176 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.698 -5.744 9.617 1.00 0.00 O ATOM 94 OP2 DT A 4 -5.316 -5.084 7.755 1.00 0.00 O ATOM 95 O5' DT A 4 -2.891 -4.529 7.595 1.00 0.00 O ATOM 96 C5' DT A 4 -2.817 -3.211 8.120 1.00 0.00 C ATOM 97 C4' DT A 4 -1.682 -2.412 7.469 1.00 0.00 C ATOM 98 O4' DT A 4 -2.019 -2.244 6.105 1.00 0.00 O ATOM 99 C3' DT A 4 -1.552 -1.000 8.069 1.00 0.00 C ATOM 100 O3' DT A 4 -0.193 -0.777 8.412 1.00 0.00 O ATOM 101 C2' DT A 4 -2.002 -0.084 6.928 1.00 0.00 C ATOM 102 C1' DT A 4 -1.618 -0.945 5.733 1.00 0.00 C ATOM 103 N1 DT A 4 -2.312 -0.614 4.458 1.00 0.00 N ATOM 104 C2 DT A 4 -1.527 -0.508 3.316 1.00 0.00 C ATOM 105 O2 DT A 4 -0.300 -0.468 3.343 1.00 0.00 O ATOM 106 N3 DT A 4 -2.205 -0.449 2.111 1.00 0.00 N ATOM 107 C4 DT A 4 -3.578 -0.432 1.937 1.00 0.00 C ATOM 108 O4 DT A 4 -4.051 -0.408 0.803 1.00 0.00 O ATOM 109 C5 DT A 4 -4.329 -0.448 3.176 1.00 0.00 C ATOM 110 C7 DT A 4 -5.843 -0.359 3.134 1.00 0.00 C ATOM 111 C6 DT A 4 -3.687 -0.549 4.369 1.00 0.00 C ATOM 0 H5' DT A 4 -2.661 -3.255 9.198 1.00 0.00 H new ATOM 0 H5'' DT A 4 -3.765 -2.699 7.956 1.00 0.00 H new ATOM 0 H4' DT A 4 -0.747 -2.950 7.625 1.00 0.00 H new ATOM 0 H3' DT A 4 -2.138 -0.836 8.973 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.070 0.130 6.962 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.484 0.875 6.934 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.557 -0.804 5.529 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.635 -0.415 1.266 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.263 -0.891 3.988 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.147 0.687 3.173 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.208 -0.809 2.211 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.272 -0.579 5.277 1.00 0.00 H new ATOM 124 P DA A 5 0.300 0.578 9.141 1.00 0.00 P ATOM 125 OP1 DA A 5 1.396 0.219 10.069 1.00 0.00 O ATOM 126 OP2 DA A 5 -0.890 1.290 9.659 1.00 0.00 O ATOM 127 O5' DA A 5 0.916 1.460 7.934 1.00 0.00 O ATOM 128 C5' DA A 5 2.261 1.312 7.520 1.00 0.00 C ATOM 129 C4' DA A 5 2.790 2.348 6.542 1.00 0.00 C ATOM 130 O4' DA A 5 2.154 2.160 5.282 1.00 0.00 O ATOM 131 C3' DA A 5 2.412 3.706 7.117 1.00 0.00 C ATOM 132 O3' DA A 5 3.359 4.709 6.826 1.00 0.00 O ATOM 133 C2' DA A 5 1.159 3.916 6.309 1.00 0.00 C ATOM 134 C1' DA A 5 1.510 3.366 4.930 1.00 0.00 C ATOM 135 N9 DA A 5 0.309 3.019 4.128 1.00 0.00 N ATOM 136 C8 DA A 5 -1.031 3.109 4.434 1.00 0.00 C ATOM 137 N7 DA A 5 -1.831 2.866 3.431 1.00 0.00 N ATOM 138 C5 DA A 5 -0.963 2.553 2.395 1.00 0.00 C ATOM 139 C6 DA A 5 -1.159 2.206 1.043 1.00 0.00 C ATOM 140 N6 DA A 5 -2.363 2.170 0.459 1.00 0.00 N ATOM 141 N1 DA A 5 -0.081 1.877 0.311 1.00 0.00 N ATOM 142 C2 DA A 5 1.125 1.910 0.871 1.00 0.00 C ATOM 143 N3 DA A 5 1.443 2.251 2.113 1.00 0.00 N ATOM 144 C4 DA A 5 0.338 2.573 2.833 1.00 0.00 C ATOM 0 H5' DA A 5 2.371 0.327 7.066 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.894 1.327 8.407 1.00 0.00 H new ATOM 0 H4' DA A 5 3.868 2.267 6.401 1.00 0.00 H new ATOM 0 H3' DA A 5 2.327 3.746 8.203 1.00 0.00 H new ATOM 0 H2' DA A 5 0.310 3.388 6.745 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.888 4.971 6.261 1.00 0.00 H new ATOM 0 H1' DA A 5 2.079 4.077 4.331 1.00 0.00 H new ATOM 0 H8 DA A 5 -1.390 3.360 5.421 1.00 0.00 H new ATOM 0 H61 DA A 5 -2.445 1.912 -0.524 1.00 0.00 H new ATOM 0 H62 DA A 5 -3.198 2.401 0.997 1.00 0.00 H new ATOM 0 H2 DA A 5 1.949 1.623 0.235 1.00 0.00 H new ATOM 156 P DG A 6 4.790 4.845 7.588 1.00 0.00 P ATOM 157 OP1 DG A 6 5.672 3.748 7.130 1.00 0.00 O ATOM 158 OP2 DG A 6 4.551 5.060 9.031 1.00 0.00 O ATOM 159 O5' DG A 6 5.334 6.224 6.935 1.00 0.00 O ATOM 160 C5' DG A 6 4.771 6.631 5.710 1.00 0.00 C ATOM 161 C4' DG A 6 5.491 7.664 4.858 1.00 0.00 C ATOM 162 O4' DG A 6 4.552 8.033 3.863 1.00 0.00 O ATOM 163 C3' DG A 6 5.864 8.908 5.647 1.00 0.00 C ATOM 164 O3' DG A 6 7.109 9.334 5.102 1.00 0.00 O ATOM 165 C2' DG A 6 4.591 9.744 5.467 1.00 0.00 C ATOM 166 C1' DG A 6 4.156 9.377 4.050 1.00 0.00 C ATOM 167 N9 DG A 6 2.711 9.472 3.725 1.00 0.00 N ATOM 168 C8 DG A 6 1.610 9.745 4.507 1.00 0.00 C ATOM 169 N7 DG A 6 0.477 9.720 3.860 1.00 0.00 N ATOM 170 C5 DG A 6 0.835 9.371 2.564 1.00 0.00 C ATOM 171 C6 DG A 6 0.021 9.062 1.432 1.00 0.00 C ATOM 172 O6 DG A 6 -1.204 9.098 1.340 1.00 0.00 O ATOM 173 N1 DG A 6 0.779 8.672 0.332 1.00 0.00 N ATOM 174 C2 DG A 6 2.153 8.541 0.326 1.00 0.00 C ATOM 175 N2 DG A 6 2.733 8.143 -0.809 1.00 0.00 N ATOM 176 N3 DG A 6 2.912 8.795 1.398 1.00 0.00 N ATOM 177 C4 DG A 6 2.198 9.210 2.478 1.00 0.00 C ATOM 0 H5' DG A 6 3.775 7.020 5.922 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.640 5.738 5.099 1.00 0.00 H new ATOM 0 H4' DG A 6 6.419 7.248 4.465 1.00 0.00 H new ATOM 0 H3' DG A 6 6.075 8.881 6.716 1.00 0.00 H new ATOM 0 H2' DG A 6 3.830 9.489 6.205 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.788 10.811 5.568 1.00 0.00 H new ATOM 0 H1' DG A 6 4.621 10.113 3.394 1.00 0.00 H new ATOM 0 H8 DG A 6 1.679 9.961 5.563 1.00 0.00 H new ATOM 0 H1 DG A 6 0.282 8.468 -0.535 1.00 0.00 H new ATOM 0 H21 DG A 6 3.746 8.034 -0.853 1.00 0.00 H new ATOM 0 H22 DG A 6 2.163 7.948 -1.632 1.00 0.00 H new ATOM 189 P DC A 7 7.562 10.851 4.774 1.00 0.00 P ATOM 190 OP1 DC A 7 9.040 10.869 4.698 1.00 0.00 O ATOM 191 OP2 DC A 7 6.869 11.794 5.678 1.00 0.00 O ATOM 192 O5' DC A 7 6.991 11.030 3.277 1.00 0.00 O ATOM 193 C5' DC A 7 7.399 10.157 2.234 1.00 0.00 C ATOM 194 C4' DC A 7 6.756 10.527 0.892 1.00 0.00 C ATOM 195 O4' DC A 7 5.342 10.491 1.068 1.00 0.00 O ATOM 196 C3' DC A 7 7.140 11.945 0.440 1.00 0.00 C ATOM 197 O3' DC A 7 7.310 11.936 -0.973 1.00 0.00 O ATOM 198 C2' DC A 7 5.887 12.695 0.881 1.00 0.00 C ATOM 199 C1' DC A 7 4.824 11.672 0.501 1.00 0.00 C ATOM 200 N1 DC A 7 3.434 11.986 0.961 1.00 0.00 N ATOM 201 C2 DC A 7 2.375 11.777 0.064 1.00 0.00 C ATOM 202 O2 DC A 7 2.563 11.397 -1.090 1.00 0.00 O ATOM 203 N3 DC A 7 1.101 12.003 0.489 1.00 0.00 N ATOM 204 C4 DC A 7 0.845 12.457 1.721 1.00 0.00 C ATOM 205 N4 DC A 7 -0.429 12.632 2.086 1.00 0.00 N ATOM 206 C5 DC A 7 1.911 12.738 2.639 1.00 0.00 C ATOM 207 C6 DC A 7 3.172 12.493 2.217 1.00 0.00 C ATOM 0 H5' DC A 7 7.133 9.132 2.494 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.484 10.190 2.137 1.00 0.00 H new ATOM 0 H4' DC A 7 7.103 9.823 0.136 1.00 0.00 H new ATOM 0 H3' DC A 7 8.062 12.369 0.837 1.00 0.00 H new ATOM 0 H2' DC A 7 5.888 12.919 1.948 1.00 0.00 H new ATOM 0 H2'' DC A 7 5.761 13.642 0.357 1.00 0.00 H new ATOM 0 H1' DC A 7 4.670 11.624 -0.577 1.00 0.00 H new ATOM 0 H41 DC A 7 -0.649 12.977 3.020 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.181 12.420 1.430 1.00 0.00 H new ATOM 0 H5 DC A 7 1.714 13.129 3.626 1.00 0.00 H new ATOM 0 H6 DC A 7 3.997 12.700 2.882 1.00 0.00 H new ATOM 219 P DG A 8 7.822 13.226 -1.813 1.00 0.00 P ATOM 220 OP1 DG A 8 9.153 12.902 -2.374 1.00 0.00 O ATOM 221 OP2 DG A 8 7.654 14.439 -0.983 1.00 0.00 O ATOM 222 O5' DG A 8 6.766 13.302 -3.039 1.00 0.00 O ATOM 223 C5' DG A 8 5.372 13.278 -2.802 1.00 0.00 C ATOM 224 C4' DG A 8 4.614 14.423 -3.431 1.00 0.00 C ATOM 225 O4' DG A 8 3.317 14.135 -2.974 1.00 0.00 O ATOM 226 C3' DG A 8 4.908 15.808 -2.870 1.00 0.00 C ATOM 227 O3' DG A 8 5.866 16.499 -3.643 1.00 0.00 O ATOM 228 C2' DG A 8 3.528 16.464 -2.978 1.00 0.00 C ATOM 229 C1' DG A 8 2.566 15.286 -3.179 1.00 0.00 C ATOM 230 N9 DG A 8 1.516 15.239 -2.142 1.00 0.00 N ATOM 231 C8 DG A 8 1.692 15.169 -0.784 1.00 0.00 C ATOM 232 N7 DG A 8 0.583 15.105 -0.104 1.00 0.00 N ATOM 233 C5 DG A 8 -0.405 15.124 -1.083 1.00 0.00 C ATOM 234 C6 DG A 8 -1.823 15.063 -0.950 1.00 0.00 C ATOM 235 O6 DG A 8 -2.483 14.955 0.080 1.00 0.00 O ATOM 236 N1 DG A 8 -2.474 15.141 -2.178 1.00 0.00 N ATOM 237 C2 DG A 8 -1.834 15.233 -3.401 1.00 0.00 C ATOM 238 N2 DG A 8 -2.606 15.270 -4.492 1.00 0.00 N ATOM 239 N3 DG A 8 -0.498 15.278 -3.529 1.00 0.00 N ATOM 240 C4 DG A 8 0.156 15.223 -2.335 1.00 0.00 C ATOM 0 H5' DG A 8 5.198 13.290 -1.726 1.00 0.00 H new ATOM 0 H5'' DG A 8 4.967 12.339 -3.180 1.00 0.00 H new ATOM 0 H4' DG A 8 4.833 14.475 -4.497 1.00 0.00 H new ATOM 0 H3' DG A 8 5.331 15.800 -1.865 1.00 0.00 H new ATOM 0 H2' DG A 8 3.284 17.028 -2.078 1.00 0.00 H new ATOM 0 H2'' DG A 8 3.483 17.162 -3.814 1.00 0.00 H new ATOM 0 HO3' DG A 8 6.026 17.383 -3.252 1.00 0.00 H new ATOM 0 H1' DG A 8 2.108 15.379 -4.164 1.00 0.00 H new ATOM 0 H8 DG A 8 2.666 15.167 -0.318 1.00 0.00 H new ATOM 0 H1 DG A 8 -3.494 15.130 -2.176 1.00 0.00 H new ATOM 0 H21 DG A 8 -2.180 15.338 -5.416 1.00 0.00 H new ATOM 0 H22 DG A 8 -3.621 15.231 -4.400 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -12.188 16.702 -2.896 1.00 0.00 O ATOM 255 C5' DC B 1 -11.577 15.432 -2.980 1.00 0.00 C ATOM 256 C4' DC B 1 -10.414 15.467 -3.978 1.00 0.00 C ATOM 257 O4' DC B 1 -9.440 16.362 -3.464 1.00 0.00 O ATOM 258 C3' DC B 1 -9.759 14.085 -4.116 1.00 0.00 C ATOM 259 O3' DC B 1 -9.708 13.750 -5.489 1.00 0.00 O ATOM 260 C2' DC B 1 -8.378 14.303 -3.510 1.00 0.00 C ATOM 261 C1' DC B 1 -8.154 15.797 -3.639 1.00 0.00 C ATOM 262 N1 DC B 1 -7.255 16.227 -2.536 1.00 0.00 N ATOM 263 C2 DC B 1 -5.877 16.151 -2.747 1.00 0.00 C ATOM 264 O2 DC B 1 -5.416 15.890 -3.856 1.00 0.00 O ATOM 265 N3 DC B 1 -5.044 16.369 -1.689 1.00 0.00 N ATOM 266 C4 DC B 1 -5.526 16.628 -0.465 1.00 0.00 C ATOM 267 N4 DC B 1 -4.663 16.786 0.543 1.00 0.00 N ATOM 268 C5 DC B 1 -6.939 16.660 -0.213 1.00 0.00 C ATOM 269 C6 DC B 1 -7.755 16.446 -1.272 1.00 0.00 C ATOM 0 H5' DC B 1 -12.310 14.688 -3.291 1.00 0.00 H new ATOM 0 H5'' DC B 1 -11.214 15.130 -1.998 1.00 0.00 H new ATOM 0 H4' DC B 1 -10.788 15.776 -4.954 1.00 0.00 H new ATOM 0 H3' DC B 1 -10.283 13.265 -3.625 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.344 13.982 -2.469 1.00 0.00 H new ATOM 0 H2'' DC B 1 -7.614 13.737 -4.043 1.00 0.00 H new ATOM 0 HO5' DC B 1 -11.530 17.396 -3.107 1.00 0.00 H new ATOM 0 H1' DC B 1 -7.704 16.093 -4.587 1.00 0.00 H new ATOM 0 H41 DC B 1 -5.007 16.984 1.483 1.00 0.00 H new ATOM 0 H42 DC B 1 -3.660 16.709 0.373 1.00 0.00 H new ATOM 0 H5 DC B 1 -7.333 16.846 0.775 1.00 0.00 H new ATOM 0 H6 DC B 1 -8.824 16.447 -1.122 1.00 0.00 H new ATOM 282 P DG B 2 -9.175 12.319 -6.009 1.00 0.00 P ATOM 283 OP1 DG B 2 -9.569 12.175 -7.428 1.00 0.00 O ATOM 284 OP2 DG B 2 -9.566 11.280 -5.031 1.00 0.00 O ATOM 285 O5' DG B 2 -7.575 12.491 -5.950 1.00 0.00 O ATOM 286 C5' DG B 2 -6.928 13.606 -6.535 1.00 0.00 C ATOM 287 C4' DG B 2 -5.510 13.243 -7.002 1.00 0.00 C ATOM 288 O4' DG B 2 -4.681 13.267 -5.851 1.00 0.00 O ATOM 289 C3' DG B 2 -5.410 11.844 -7.617 1.00 0.00 C ATOM 290 O3' DG B 2 -4.393 11.871 -8.609 1.00 0.00 O ATOM 291 C2' DG B 2 -5.000 11.026 -6.398 1.00 0.00 C ATOM 292 C1' DG B 2 -4.061 12.006 -5.689 1.00 0.00 C ATOM 293 N9 DG B 2 -3.961 11.812 -4.219 1.00 0.00 N ATOM 294 C8 DG B 2 -4.967 11.609 -3.300 1.00 0.00 C ATOM 295 N7 DG B 2 -4.557 11.531 -2.065 1.00 0.00 N ATOM 296 C5 DG B 2 -3.182 11.700 -2.156 1.00 0.00 C ATOM 297 C6 DG B 2 -2.189 11.691 -1.130 1.00 0.00 C ATOM 298 O6 DG B 2 -2.350 11.566 0.081 1.00 0.00 O ATOM 299 N1 DG B 2 -0.902 11.847 -1.636 1.00 0.00 N ATOM 300 C2 DG B 2 -0.605 12.038 -2.971 1.00 0.00 C ATOM 301 N2 DG B 2 0.688 12.141 -3.296 1.00 0.00 N ATOM 302 N3 DG B 2 -1.542 12.084 -3.932 1.00 0.00 N ATOM 303 C4 DG B 2 -2.808 11.895 -3.466 1.00 0.00 C ATOM 0 H5' DG B 2 -6.879 14.421 -5.813 1.00 0.00 H new ATOM 0 H5'' DG B 2 -7.512 13.966 -7.382 1.00 0.00 H new ATOM 0 H4' DG B 2 -5.215 13.956 -7.772 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.304 11.459 -8.107 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.854 10.753 -5.779 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.497 10.099 -6.674 1.00 0.00 H new ATOM 0 H1' DG B 2 -3.062 11.883 -6.107 1.00 0.00 H new ATOM 0 H8 DG B 2 -6.007 11.522 -3.579 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.125 11.818 -0.976 1.00 0.00 H new ATOM 0 H21 DG B 2 0.960 12.283 -4.269 1.00 0.00 H new ATOM 0 H22 DG B 2 1.403 12.078 -2.571 1.00 0.00 H new ATOM 315 P DC B 3 -3.901 10.549 -9.402 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.312 10.983 -10.689 1.00 0.00 O ATOM 317 OP2 DC B 3 -5.002 9.560 -9.398 1.00 0.00 O ATOM 318 O5' DC B 3 -2.709 9.982 -8.468 1.00 0.00 O ATOM 319 C5' DC B 3 -1.481 10.676 -8.348 1.00 0.00 C ATOM 320 C4' DC B 3 -0.495 9.964 -7.408 1.00 0.00 C ATOM 321 O4' DC B 3 -0.990 10.172 -6.106 1.00 0.00 O ATOM 322 C3' DC B 3 -0.368 8.436 -7.573 1.00 0.00 C ATOM 323 O3' DC B 3 0.847 8.058 -8.196 1.00 0.00 O ATOM 324 C2' DC B 3 -0.458 7.930 -6.131 1.00 0.00 C ATOM 325 C1' DC B 3 -0.362 9.206 -5.306 1.00 0.00 C ATOM 326 N1 DC B 3 -1.107 9.023 -4.050 1.00 0.00 N ATOM 327 C2 DC B 3 -0.413 8.732 -2.878 1.00 0.00 C ATOM 328 O2 DC B 3 0.812 8.786 -2.830 1.00 0.00 O ATOM 329 N3 DC B 3 -1.134 8.384 -1.776 1.00 0.00 N ATOM 330 C4 DC B 3 -2.464 8.242 -1.827 1.00 0.00 C ATOM 331 N4 DC B 3 -3.122 8.043 -0.682 1.00 0.00 N ATOM 332 C5 DC B 3 -3.163 8.404 -3.070 1.00 0.00 C ATOM 333 C6 DC B 3 -2.454 8.832 -4.119 1.00 0.00 C ATOM 0 H5' DC B 3 -1.671 11.683 -7.976 1.00 0.00 H new ATOM 0 H5'' DC B 3 -1.028 10.780 -9.334 1.00 0.00 H new ATOM 0 H4' DC B 3 0.490 10.375 -7.631 1.00 0.00 H new ATOM 0 H3' DC B 3 -1.134 8.015 -8.224 1.00 0.00 H new ATOM 0 H2' DC B 3 -1.394 7.402 -5.948 1.00 0.00 H new ATOM 0 H2'' DC B 3 0.350 7.237 -5.896 1.00 0.00 H new ATOM 0 H1' DC B 3 0.660 9.481 -5.046 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.136 7.931 -0.689 1.00 0.00 H new ATOM 0 H42 DC B 3 -2.611 8.003 0.200 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.218 8.189 -3.154 1.00 0.00 H new ATOM 0 H6 DC B 3 -2.964 9.032 -5.049 1.00 0.00 H new ATOM 345 P DT B 4 1.074 6.573 -8.811 1.00 0.00 P ATOM 346 OP1 DT B 4 2.096 6.692 -9.874 1.00 0.00 O ATOM 347 OP2 DT B 4 -0.246 5.986 -9.137 1.00 0.00 O ATOM 348 O5' DT B 4 1.713 5.688 -7.621 1.00 0.00 O ATOM 349 C5' DT B 4 2.190 4.378 -7.887 1.00 0.00 C ATOM 350 C4' DT B 4 2.755 3.726 -6.622 1.00 0.00 C ATOM 351 O4' DT B 4 1.677 3.526 -5.728 1.00 0.00 O ATOM 352 C3' DT B 4 3.349 2.336 -6.911 1.00 0.00 C ATOM 353 O3' DT B 4 4.686 2.311 -6.439 1.00 0.00 O ATOM 354 C2' DT B 4 2.447 1.383 -6.121 1.00 0.00 C ATOM 355 C1' DT B 4 1.927 2.323 -5.040 1.00 0.00 C ATOM 356 N1 DT B 4 0.646 1.901 -4.411 1.00 0.00 N ATOM 357 C2 DT B 4 0.597 1.846 -3.022 1.00 0.00 C ATOM 358 O2 DT B 4 1.593 1.933 -2.308 1.00 0.00 O ATOM 359 N3 DT B 4 -0.658 1.685 -2.461 1.00 0.00 N ATOM 360 C4 DT B 4 -1.853 1.543 -3.142 1.00 0.00 C ATOM 361 O4 DT B 4 -2.904 1.442 -2.514 1.00 0.00 O ATOM 362 C5 DT B 4 -1.713 1.531 -4.586 1.00 0.00 C ATOM 363 C7 DT B 4 -2.940 1.330 -5.453 1.00 0.00 C ATOM 364 C6 DT B 4 -0.495 1.711 -5.161 1.00 0.00 C ATOM 0 H5' DT B 4 2.963 4.419 -8.654 1.00 0.00 H new ATOM 0 H5'' DT B 4 1.379 3.767 -8.283 1.00 0.00 H new ATOM 0 H4' DT B 4 3.535 4.374 -6.222 1.00 0.00 H new ATOM 0 H3' DT B 4 3.382 2.068 -7.967 1.00 0.00 H new ATOM 0 H2' DT B 4 1.644 0.970 -6.732 1.00 0.00 H new ATOM 0 H2'' DT B 4 2.998 0.539 -5.706 1.00 0.00 H new ATOM 0 H1' DT B 4 2.655 2.371 -4.230 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.706 1.670 -1.442 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.804 1.848 -6.402 1.00 0.00 H new ATOM 0 H72 DT B 4 -3.084 0.266 -5.638 1.00 0.00 H new ATOM 0 H73 DT B 4 -3.816 1.732 -4.943 1.00 0.00 H new ATOM 0 H6 DT B 4 -0.419 1.705 -6.238 1.00 0.00 H new ATOM 377 P DA B 5 5.681 1.072 -6.731 1.00 0.00 P ATOM 378 OP1 DA B 5 7.067 1.591 -6.711 1.00 0.00 O ATOM 379 OP2 DA B 5 5.191 0.351 -7.927 1.00 0.00 O ATOM 380 O5' DA B 5 5.482 0.102 -5.454 1.00 0.00 O ATOM 381 C5' DA B 5 6.135 0.345 -4.219 1.00 0.00 C ATOM 382 C4' DA B 5 6.037 -0.747 -3.149 1.00 0.00 C ATOM 383 O4' DA B 5 4.799 -0.596 -2.427 1.00 0.00 O ATOM 384 C3' DA B 5 6.075 -2.084 -3.887 1.00 0.00 C ATOM 385 O3' DA B 5 6.752 -3.100 -3.189 1.00 0.00 O ATOM 386 C2' DA B 5 4.576 -2.295 -3.873 1.00 0.00 C ATOM 387 C1' DA B 5 4.018 -1.775 -2.580 1.00 0.00 C ATOM 388 N9 DA B 5 2.554 -1.484 -2.598 1.00 0.00 N ATOM 389 C8 DA B 5 1.628 -1.515 -3.627 1.00 0.00 C ATOM 390 N7 DA B 5 0.391 -1.359 -3.247 1.00 0.00 N ATOM 391 C5 DA B 5 0.486 -1.257 -1.869 1.00 0.00 C ATOM 392 C6 DA B 5 -0.483 -1.166 -0.852 1.00 0.00 C ATOM 393 N6 DA B 5 -1.794 -1.076 -1.103 1.00 0.00 N ATOM 394 N1 DA B 5 -0.065 -1.202 0.426 1.00 0.00 N ATOM 395 C2 DA B 5 1.238 -1.283 0.684 1.00 0.00 C ATOM 396 N3 DA B 5 2.244 -1.341 -0.181 1.00 0.00 N ATOM 397 C4 DA B 5 1.794 -1.334 -1.464 1.00 0.00 C ATOM 0 H5' DA B 5 5.732 1.267 -3.799 1.00 0.00 H new ATOM 0 H5'' DA B 5 7.191 0.523 -4.424 1.00 0.00 H new ATOM 0 H4' DA B 5 6.853 -0.686 -2.428 1.00 0.00 H new ATOM 0 H3' DA B 5 6.593 -2.097 -4.846 1.00 0.00 H new ATOM 0 H2' DA B 5 4.116 -1.779 -4.716 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.344 -3.354 -3.983 1.00 0.00 H new ATOM 0 H1' DA B 5 4.082 -2.496 -1.765 1.00 0.00 H new ATOM 0 H8 DA B 5 1.908 -1.657 -4.660 1.00 0.00 H new ATOM 0 H61 DA B 5 -2.458 -1.012 -0.331 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.130 -1.071 -2.066 1.00 0.00 H new ATOM 0 H2 DA B 5 1.512 -1.304 1.728 1.00 0.00 H new ATOM 409 P DG B 6 8.348 -3.385 -3.370 1.00 0.00 P ATOM 410 OP1 DG B 6 9.088 -2.308 -2.676 1.00 0.00 O ATOM 411 OP2 DG B 6 8.618 -3.675 -4.795 1.00 0.00 O ATOM 412 O5' DG B 6 8.521 -4.760 -2.525 1.00 0.00 O ATOM 413 C5' DG B 6 7.379 -5.259 -1.869 1.00 0.00 C ATOM 414 C4' DG B 6 7.448 -6.403 -0.879 1.00 0.00 C ATOM 415 O4' DG B 6 6.106 -6.780 -0.632 1.00 0.00 O ATOM 416 C3' DG B 6 8.193 -7.583 -1.465 1.00 0.00 C ATOM 417 O3' DG B 6 8.998 -8.089 -0.406 1.00 0.00 O ATOM 418 C2' DG B 6 7.022 -8.394 -2.038 1.00 0.00 C ATOM 419 C1' DG B 6 5.891 -8.112 -1.049 1.00 0.00 C ATOM 420 N9 DG B 6 4.492 -8.159 -1.547 1.00 0.00 N ATOM 421 C8 DG B 6 3.976 -8.245 -2.820 1.00 0.00 C ATOM 422 N7 DG B 6 2.673 -8.216 -2.876 1.00 0.00 N ATOM 423 C5 DG B 6 2.283 -8.068 -1.553 1.00 0.00 C ATOM 424 C6 DG B 6 0.984 -7.892 -0.986 1.00 0.00 C ATOM 425 O6 DG B 6 -0.096 -7.832 -1.568 1.00 0.00 O ATOM 426 N1 DG B 6 1.027 -7.778 0.402 1.00 0.00 N ATOM 427 C2 DG B 6 2.188 -7.778 1.153 1.00 0.00 C ATOM 428 N2 DG B 6 2.080 -7.670 2.480 1.00 0.00 N ATOM 429 N3 DG B 6 3.407 -7.888 0.613 1.00 0.00 N ATOM 430 C4 DG B 6 3.388 -8.035 -0.737 1.00 0.00 C ATOM 0 H5' DG B 6 6.678 -5.561 -2.647 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.928 -4.417 -1.343 1.00 0.00 H new ATOM 0 H4' DG B 6 7.972 -6.099 0.027 1.00 0.00 H new ATOM 0 H3' DG B 6 8.923 -7.473 -2.267 1.00 0.00 H new ATOM 0 H2' DG B 6 6.765 -8.073 -3.047 1.00 0.00 H new ATOM 0 H2'' DG B 6 7.256 -9.457 -2.091 1.00 0.00 H new ATOM 0 H1' DG B 6 5.945 -8.903 -0.301 1.00 0.00 H new ATOM 0 H8 DG B 6 4.598 -8.329 -3.699 1.00 0.00 H new ATOM 0 H1 DG B 6 0.141 -7.688 0.899 1.00 0.00 H new ATOM 0 H21 DG B 6 2.918 -7.667 3.061 1.00 0.00 H new ATOM 0 H22 DG B 6 1.159 -7.591 2.912 1.00 0.00 H new ATOM 442 P DC B 7 9.235 -9.641 -0.031 1.00 0.00 P ATOM 443 OP1 DC B 7 10.438 -9.716 0.828 1.00 0.00 O ATOM 444 OP2 DC B 7 9.161 -10.472 -1.253 1.00 0.00 O ATOM 445 O5' DC B 7 7.949 -9.936 0.894 1.00 0.00 O ATOM 446 C5' DC B 7 7.705 -9.175 2.066 1.00 0.00 C ATOM 447 C4' DC B 7 6.490 -9.699 2.841 1.00 0.00 C ATOM 448 O4' DC B 7 5.352 -9.616 1.986 1.00 0.00 O ATOM 449 C3' DC B 7 6.672 -11.171 3.243 1.00 0.00 C ATOM 450 O3' DC B 7 6.126 -11.347 4.545 1.00 0.00 O ATOM 451 C2' DC B 7 5.841 -11.831 2.145 1.00 0.00 C ATOM 452 C1' DC B 7 4.678 -10.853 2.064 1.00 0.00 C ATOM 453 N1 DC B 7 3.721 -11.066 0.930 1.00 0.00 N ATOM 454 C2 DC B 7 2.346 -10.955 1.189 1.00 0.00 C ATOM 455 O2 DC B 7 1.911 -10.788 2.326 1.00 0.00 O ATOM 456 N3 DC B 7 1.470 -11.035 0.147 1.00 0.00 N ATOM 457 C4 DC B 7 1.896 -11.267 -1.102 1.00 0.00 C ATOM 458 N4 DC B 7 0.996 -11.305 -2.089 1.00 0.00 N ATOM 459 C5 DC B 7 3.289 -11.460 -1.384 1.00 0.00 C ATOM 460 C6 DC B 7 4.151 -11.356 -0.347 1.00 0.00 C ATOM 0 H5' DC B 7 7.541 -8.132 1.795 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.586 -9.203 2.708 1.00 0.00 H new ATOM 0 H4' DC B 7 6.369 -9.101 3.745 1.00 0.00 H new ATOM 0 H3' DC B 7 7.688 -11.561 3.307 1.00 0.00 H new ATOM 0 H2' DC B 7 6.384 -11.911 1.203 1.00 0.00 H new ATOM 0 H2'' DC B 7 5.520 -12.837 2.414 1.00 0.00 H new ATOM 0 H1' DC B 7 4.002 -10.956 2.913 1.00 0.00 H new ATOM 0 H41 DC B 7 1.297 -11.480 -3.048 1.00 0.00 H new ATOM 0 H42 DC B 7 0.008 -11.159 -1.884 1.00 0.00 H new ATOM 0 H5 DC B 7 3.635 -11.679 -2.383 1.00 0.00 H new ATOM 0 H6 DC B 7 5.206 -11.504 -0.525 1.00 0.00 H new ATOM 472 P DG B 8 6.257 -12.729 5.382 1.00 0.00 P ATOM 473 OP1 DG B 8 7.164 -12.486 6.525 1.00 0.00 O ATOM 474 OP2 DG B 8 6.542 -13.835 4.441 1.00 0.00 O ATOM 475 O5' DG B 8 4.758 -12.933 5.959 1.00 0.00 O ATOM 476 C5' DG B 8 3.638 -12.822 5.103 1.00 0.00 C ATOM 477 C4' DG B 8 2.648 -13.956 5.218 1.00 0.00 C ATOM 478 O4' DG B 8 1.787 -13.592 4.173 1.00 0.00 O ATOM 479 C3' DG B 8 3.159 -15.342 4.843 1.00 0.00 C ATOM 480 O3' DG B 8 3.505 -16.099 5.983 1.00 0.00 O ATOM 481 C2' DG B 8 1.932 -15.929 4.141 1.00 0.00 C ATOM 482 C1' DG B 8 1.041 -14.714 3.844 1.00 0.00 C ATOM 483 N9 DG B 8 0.765 -14.538 2.403 1.00 0.00 N ATOM 484 C8 DG B 8 1.682 -14.428 1.387 1.00 0.00 C ATOM 485 N7 DG B 8 1.165 -14.168 0.223 1.00 0.00 N ATOM 486 C5 DG B 8 -0.198 -14.088 0.482 1.00 0.00 C ATOM 487 C6 DG B 8 -1.273 -13.787 -0.403 1.00 0.00 C ATOM 488 O6 DG B 8 -1.209 -13.519 -1.599 1.00 0.00 O ATOM 489 N1 DG B 8 -2.509 -13.819 0.235 1.00 0.00 N ATOM 490 C2 DG B 8 -2.693 -14.095 1.578 1.00 0.00 C ATOM 491 N2 DG B 8 -3.949 -14.068 2.036 1.00 0.00 N ATOM 492 N3 DG B 8 -1.677 -14.350 2.420 1.00 0.00 N ATOM 493 C4 DG B 8 -0.458 -14.332 1.811 1.00 0.00 C ATOM 0 H5' DG B 8 3.988 -12.765 4.072 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.124 -11.885 5.317 1.00 0.00 H new ATOM 0 H4' DG B 8 2.287 -14.053 6.242 1.00 0.00 H new ATOM 0 H3' DG B 8 4.066 -15.331 4.238 1.00 0.00 H new ATOM 0 H2' DG B 8 2.210 -16.450 3.225 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.419 -16.652 4.776 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.827 -16.982 5.704 1.00 0.00 H new ATOM 0 H1' DG B 8 0.108 -14.851 4.390 1.00 0.00 H new ATOM 0 H8 DG B 8 2.744 -14.548 1.542 1.00 0.00 H new ATOM 0 H1 DG B 8 -3.338 -13.625 -0.327 1.00 0.00 H new ATOM 0 H21 DG B 8 -4.138 -14.265 3.019 1.00 0.00 H new ATOM 0 H22 DG B 8 -4.718 -13.851 1.402 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -4.558 -3.603 4.239 1.00 0.00 C HETATM 508 C2 TOT A 9 -5.954 -3.710 4.291 1.00 0.00 C HETATM 509 C3 TOT A 9 -6.677 -3.866 3.102 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.001 -3.890 1.871 1.00 0.00 C HETATM 511 N5 TOT A 9 -3.799 -3.817 0.667 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.324 -3.686 -0.713 1.00 0.00 C HETATM 513 C7 TOT A 9 -2.497 -3.952 1.035 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.446 -4.206 0.037 1.00 0.00 C HETATM 515 S9 TOT A 9 -2.221 -3.811 2.657 1.00 0.00 S HETATM 516 C10 TOT A 9 -3.877 -3.717 3.006 1.00 0.00 C HETATM 517 C11 TOT A 9 -4.589 -3.819 1.806 1.00 0.00 C HETATM 518 C12 TOT A 9 2.229 -4.637 -0.813 1.00 0.00 C HETATM 519 C13 TOT A 9 3.073 -4.896 -1.918 1.00 0.00 C HETATM 520 C14 TOT A 9 2.508 -5.152 -3.164 1.00 0.00 C HETATM 521 C15 TOT A 9 1.183 -4.802 -3.413 1.00 0.00 C HETATM 522 C16 TOT A 9 0.335 -4.478 -2.341 1.00 0.00 C HETATM 523 C17 TOT A 9 0.819 -4.518 -1.008 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.045 -4.451 0.135 1.00 0.00 C HETATM 525 C19 TOT A 9 0.550 -4.649 1.394 1.00 0.00 C HETATM 526 C20 TOT A 9 1.927 -4.583 1.543 1.00 0.00 C HETATM 527 N21 TOT A 9 2.752 -4.526 0.474 1.00 0.00 N HETATM 528 C22 TOT A 9 4.150 -4.405 0.925 1.00 0.00 C HETATM 529 C23 TOT A 9 5.084 -3.285 0.473 1.00 0.00 C HETATM 530 C24 TOT A 9 6.302 -3.252 1.427 1.00 0.00 C HETATM 531 N25 TOT A 9 7.143 -2.022 1.382 1.00 0.00 N HETATM 532 C26 TOT A 9 6.295 -0.828 1.678 1.00 0.00 C HETATM 533 C27 TOT A 9 7.056 0.424 2.149 1.00 0.00 C HETATM 534 C28 TOT A 9 7.788 -1.901 0.056 1.00 0.00 C HETATM 535 C29 TOT A 9 8.213 -2.189 2.400 1.00 0.00 C HETATM 536 C31 TOT A 9 -1.576 4.704 -5.852 1.00 0.00 C HETATM 537 C32 TOT A 9 -2.712 4.739 -6.671 1.00 0.00 C HETATM 538 C33 TOT A 9 -3.977 4.881 -6.087 1.00 0.00 C HETATM 539 C34 TOT A 9 -4.099 4.934 -4.690 1.00 0.00 C HETATM 540 N35 TOT A 9 -2.933 4.912 -2.462 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.131 4.779 -1.593 1.00 0.00 C HETATM 542 C37 TOT A 9 -1.645 5.044 -2.046 1.00 0.00 C HETATM 543 C38 TOT A 9 -1.326 5.175 -0.617 1.00 0.00 C HETATM 544 S39 TOT A 9 -0.517 5.045 -3.250 1.00 0.00 S HETATM 545 C40 TOT A 9 -1.698 4.862 -4.453 1.00 0.00 C HETATM 546 C41 TOT A 9 -2.960 4.919 -3.849 1.00 0.00 C HETATM 547 C42 TOT A 9 1.158 5.784 2.156 1.00 0.00 C HETATM 548 C43 TOT A 9 1.231 6.426 3.404 1.00 0.00 C HETATM 549 C44 TOT A 9 0.086 6.636 4.164 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.158 6.306 3.623 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.260 5.895 2.278 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.093 5.636 1.505 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.114 5.234 0.130 1.00 0.00 C HETATM 554 C49 TOT A 9 1.118 4.886 -0.470 1.00 0.00 C HETATM 555 C50 TOT A 9 2.309 4.899 0.265 1.00 0.00 C HETATM 556 N51 TOT A 9 2.319 5.307 1.567 1.00 0.00 N HETATM 557 C52 TOT A 9 3.621 5.215 2.258 1.00 0.00 C HETATM 558 C53 TOT A 9 4.457 3.957 1.981 1.00 0.00 C HETATM 559 C54 TOT A 9 5.546 3.852 3.054 1.00 0.00 C HETATM 560 N55 TOT A 9 6.636 2.874 2.767 1.00 0.00 N HETATM 561 C56 TOT A 9 6.047 1.570 2.341 1.00 0.00 C HETATM 562 C58 TOT A 9 7.411 2.725 4.027 1.00 0.00 C HETATM 563 C59 TOT A 9 7.540 3.417 1.719 1.00 0.00 C HETATM 0 H593 TOT A 9 6.972 3.599 0.807 1.00 0.00 H new HETATM 0 H592 TOT A 9 7.979 4.352 2.066 1.00 0.00 H new HETATM 0 H591 TOT A 9 8.333 2.698 1.515 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.822 3.692 4.318 1.00 0.00 H new HETATM 0 H582 TOT A 9 6.755 2.357 4.816 1.00 0.00 H new HETATM 0 H581 TOT A 9 8.225 2.017 3.872 1.00 0.00 H new HETATM 0 H562 TOT A 9 5.511 1.721 1.404 1.00 0.00 H new HETATM 0 H561 TOT A 9 5.310 1.263 3.083 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.992 4.837 3.192 1.00 0.00 H new HETATM 0 H541 TOT A 9 5.076 3.579 3.999 1.00 0.00 H new HETATM 0 H532 TOT A 9 3.823 3.070 1.996 1.00 0.00 H new HETATM 0 H531 TOT A 9 4.906 4.011 0.989 1.00 0.00 H new HETATM 0 H522 TOT A 9 4.215 6.087 1.983 1.00 0.00 H new HETATM 0 H521 TOT A 9 3.442 5.276 3.332 1.00 0.00 H new HETATM 0 H363 TOT A 9 -4.032 3.890 -0.971 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.218 5.659 -0.956 1.00 0.00 H new HETATM 0 H361 TOT A 9 -5.023 4.690 -2.214 1.00 0.00 H new HETATM 0 H293 TOT A 9 7.762 -2.311 3.385 1.00 0.00 H new HETATM 0 H292 TOT A 9 8.808 -3.071 2.161 1.00 0.00 H new HETATM 0 H291 TOT A 9 8.855 -1.308 2.401 1.00 0.00 H new HETATM 0 H283 TOT A 9 8.417 -2.773 -0.124 1.00 0.00 H new HETATM 0 H282 TOT A 9 7.022 -1.841 -0.717 1.00 0.00 H new HETATM 0 H281 TOT A 9 8.401 -1.000 0.030 1.00 0.00 H new HETATM 0 H272 TOT A 9 7.578 0.220 3.084 1.00 0.00 H new HETATM 0 H271 TOT A 9 7.812 0.705 1.416 1.00 0.00 H new HETATM 0 H262 TOT A 9 5.731 -0.573 0.781 1.00 0.00 H new HETATM 0 H261 TOT A 9 5.569 -1.100 2.444 1.00 0.00 H new HETATM 0 H242 TOT A 9 5.941 -3.383 2.447 1.00 0.00 H new HETATM 0 H241 TOT A 9 6.937 -4.109 1.201 1.00 0.00 H new HETATM 0 H232 TOT A 9 5.410 -3.454 -0.553 1.00 0.00 H new HETATM 0 H231 TOT A 9 4.564 -2.327 0.489 1.00 0.00 H new HETATM 0 H222 TOT A 9 4.119 -4.359 2.014 1.00 0.00 H new HETATM 0 H221 TOT A 9 4.641 -5.341 0.659 1.00 0.00 H new HETATM 0 H8 TOT A 9 -1.815 -4.207 -0.989 1.00 0.00 H new HETATM 0 H63 TOT A 9 -3.898 -2.799 -1.182 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.051 -4.568 -1.292 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.410 -3.594 -0.682 1.00 0.00 H new HETATM 0 H50 TOT A 9 3.238 4.580 -0.207 1.00 0.00 H new HETATM 0 H49 TOT A 9 1.141 4.603 -1.522 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.244 5.774 1.825 1.00 0.00 H new HETATM 0 H45 TOT A 9 -2.053 6.366 4.242 1.00 0.00 H new HETATM 0 H44 TOT A 9 0.159 7.053 5.169 1.00 0.00 H new HETATM 0 H43 TOT A 9 2.197 6.763 3.781 1.00 0.00 H new HETATM 0 H4 TOT A 9 -6.575 -3.965 0.948 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.214 5.242 0.011 1.00 0.00 H new HETATM 0 H34 TOT A 9 -5.092 4.988 -4.243 1.00 0.00 H new HETATM 0 H33 TOT A 9 -4.865 4.950 -6.716 1.00 0.00 H new HETATM 0 H32 TOT A 9 -2.612 4.656 -7.753 1.00 0.00 H new HETATM 0 H31 TOT A 9 -0.592 4.554 -6.296 1.00 0.00 H new HETATM 0 H3 TOT A 9 -7.762 -3.969 3.132 1.00 0.00 H new HETATM 0 H20 TOT A 9 2.354 -4.577 2.546 1.00 0.00 H new HETATM 0 H2 TOT A 9 -6.473 -3.672 5.249 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.077 -4.856 2.261 1.00 0.00 H new HETATM 0 H16 TOT A 9 -0.700 -4.195 -2.534 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.806 -4.780 -4.435 1.00 0.00 H new HETATM 0 H14 TOT A 9 3.102 -5.626 -3.945 1.00 0.00 H new HETATM 0 H13 TOT A 9 4.156 -4.895 -1.795 1.00 0.00 H new HETATM 0 H1 TOT A 9 -3.994 -3.431 5.155 1.00 0.00 H new