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 -35:sc= 0.00401 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 -31:sc= 0.00325 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 -9.358 -18.162 -4.499 1.00 0.00 O ATOM 2 C5' DC A 1 -9.169 -16.810 -4.140 1.00 0.00 C ATOM 3 C4' DC A 1 -8.872 -16.697 -2.641 1.00 0.00 C ATOM 4 O4' DC A 1 -7.642 -17.363 -2.397 1.00 0.00 O ATOM 5 C3' DC A 1 -8.705 -15.230 -2.217 1.00 0.00 C ATOM 6 O3' DC A 1 -9.564 -14.984 -1.120 1.00 0.00 O ATOM 7 C2' DC A 1 -7.229 -15.151 -1.843 1.00 0.00 C ATOM 8 C1' DC A 1 -6.861 -16.584 -1.512 1.00 0.00 C ATOM 9 N1 DC A 1 -5.415 -16.767 -1.812 1.00 0.00 N ATOM 10 C2 DC A 1 -4.494 -16.446 -0.815 1.00 0.00 C ATOM 11 O2 DC A 1 -4.859 -16.176 0.328 1.00 0.00 O ATOM 12 N3 DC A 1 -3.169 -16.431 -1.135 1.00 0.00 N ATOM 13 C4 DC A 1 -2.750 -16.695 -2.381 1.00 0.00 C ATOM 14 N4 DC A 1 -1.441 -16.614 -2.647 1.00 0.00 N ATOM 15 C5 DC A 1 -3.681 -16.979 -3.435 1.00 0.00 C ATOM 16 C6 DC A 1 -4.994 -16.994 -3.103 1.00 0.00 C ATOM 0 H5' DC A 1 -10.060 -16.233 -4.386 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.346 -16.385 -4.714 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.698 -17.133 -2.080 1.00 0.00 H new ATOM 0 H3' DC A 1 -8.961 -14.489 -2.974 1.00 0.00 H new ATOM 0 H2' DC A 1 -6.628 -14.764 -2.666 1.00 0.00 H new ATOM 0 H2'' DC A 1 -7.067 -14.490 -0.992 1.00 0.00 H new ATOM 0 HO5' DC A 1 -8.766 -18.729 -3.961 1.00 0.00 H new ATOM 0 H1' DC A 1 -7.037 -16.854 -0.471 1.00 0.00 H new ATOM 0 H41 DC A 1 -1.099 -16.810 -3.588 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.786 -16.356 -1.909 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.351 -17.172 -4.445 1.00 0.00 H new ATOM 0 H6 DC A 1 -5.729 -17.189 -3.870 1.00 0.00 H new ATOM 29 P DG A 2 -9.730 -13.519 -0.464 1.00 0.00 P ATOM 30 OP1 DG A 2 -10.929 -13.539 0.403 1.00 0.00 O ATOM 31 OP2 DG A 2 -9.614 -12.504 -1.534 1.00 0.00 O ATOM 32 O5' DG A 2 -8.431 -13.404 0.480 1.00 0.00 O ATOM 33 C5' DG A 2 -8.092 -14.424 1.400 1.00 0.00 C ATOM 34 C4' DG A 2 -7.389 -13.844 2.638 1.00 0.00 C ATOM 35 O4' DG A 2 -6.037 -13.613 2.274 1.00 0.00 O ATOM 36 C3' DG A 2 -7.978 -12.510 3.105 1.00 0.00 C ATOM 37 O3' DG A 2 -7.820 -12.428 4.514 1.00 0.00 O ATOM 38 C2' DG A 2 -7.078 -11.527 2.367 1.00 0.00 C ATOM 39 C1' DG A 2 -5.726 -12.243 2.446 1.00 0.00 C ATOM 40 N9 DG A 2 -4.787 -11.926 1.336 1.00 0.00 N ATOM 41 C8 DG A 2 -5.042 -11.849 -0.016 1.00 0.00 C ATOM 42 N7 DG A 2 -3.990 -11.608 -0.745 1.00 0.00 N ATOM 43 C5 DG A 2 -2.953 -11.528 0.174 1.00 0.00 C ATOM 44 C6 DG A 2 -1.565 -11.270 -0.035 1.00 0.00 C ATOM 45 O6 DG A 2 -0.983 -11.081 -1.099 1.00 0.00 O ATOM 46 N1 DG A 2 -0.843 -11.244 1.153 1.00 0.00 N ATOM 47 C2 DG A 2 -1.388 -11.475 2.402 1.00 0.00 C ATOM 48 N2 DG A 2 -0.560 -11.384 3.449 1.00 0.00 N ATOM 49 N3 DG A 2 -2.689 -11.746 2.597 1.00 0.00 N ATOM 50 C4 DG A 2 -3.423 -11.748 1.449 1.00 0.00 C ATOM 0 H5' DG A 2 -7.441 -15.152 0.916 1.00 0.00 H new ATOM 0 H5'' DG A 2 -8.993 -14.956 1.706 1.00 0.00 H new ATOM 0 H4' DG A 2 -7.509 -14.554 3.456 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.037 -12.346 2.907 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.400 -11.368 1.338 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.055 -10.549 2.849 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.247 -11.951 3.380 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.029 -11.977 -0.435 1.00 0.00 H new ATOM 0 H1 DG A 2 0.155 -11.041 1.099 1.00 0.00 H new ATOM 0 H21 DG A 2 -0.912 -11.545 4.393 1.00 0.00 H new ATOM 0 H22 DG A 2 0.423 -11.153 3.303 1.00 0.00 H new ATOM 62 P DC A 3 -8.219 -11.114 5.369 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.459 -11.532 6.768 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.273 -10.380 4.635 1.00 0.00 O ATOM 65 O5' DC A 3 -6.867 -10.229 5.331 1.00 0.00 O ATOM 66 C5' DC A 3 -5.707 -10.633 6.033 1.00 0.00 C ATOM 67 C4' DC A 3 -4.532 -9.663 5.838 1.00 0.00 C ATOM 68 O4' DC A 3 -4.041 -9.909 4.539 1.00 0.00 O ATOM 69 C3' DC A 3 -4.861 -8.157 5.873 1.00 0.00 C ATOM 70 O3' DC A 3 -4.522 -7.541 7.101 1.00 0.00 O ATOM 71 C2' DC A 3 -4.034 -7.604 4.711 1.00 0.00 C ATOM 72 C1' DC A 3 -3.233 -8.807 4.223 1.00 0.00 C ATOM 73 N1 DC A 3 -3.071 -8.704 2.764 1.00 0.00 N ATOM 74 C2 DC A 3 -1.873 -8.223 2.243 1.00 0.00 C ATOM 75 O2 DC A 3 -0.880 -8.077 2.950 1.00 0.00 O ATOM 76 N3 DC A 3 -1.827 -7.915 0.917 1.00 0.00 N ATOM 77 C4 DC A 3 -2.921 -7.989 0.146 1.00 0.00 C ATOM 78 N4 DC A 3 -2.777 -7.810 -1.170 1.00 0.00 N ATOM 79 C5 DC A 3 -4.188 -8.351 0.715 1.00 0.00 C ATOM 80 C6 DC A 3 -4.193 -8.739 1.993 1.00 0.00 C ATOM 0 H5' DC A 3 -5.412 -11.628 5.698 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.938 -10.710 7.096 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.852 -9.847 6.670 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.930 -7.964 5.781 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.671 -7.203 3.923 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.380 -6.794 5.036 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.241 -8.880 4.669 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.590 -7.860 -1.784 1.00 0.00 H new ATOM 0 H42 DC A 3 -1.854 -7.623 -1.561 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.098 -8.311 0.135 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.116 -9.092 2.429 1.00 0.00 H new ATOM 92 P DT A 4 -5.021 -6.041 7.475 1.00 0.00 P ATOM 93 OP1 DT A 4 -4.828 -5.865 8.931 1.00 0.00 O ATOM 94 OP2 DT A 4 -6.364 -5.829 6.890 1.00 0.00 O ATOM 95 O5' DT A 4 -3.999 -5.044 6.714 1.00 0.00 O ATOM 96 C5' DT A 4 -3.866 -3.691 7.122 1.00 0.00 C ATOM 97 C4' DT A 4 -2.744 -2.972 6.364 1.00 0.00 C ATOM 98 O4' DT A 4 -3.088 -2.867 5.003 1.00 0.00 O ATOM 99 C3' DT A 4 -2.540 -1.529 6.851 1.00 0.00 C ATOM 100 O3' DT A 4 -1.328 -1.467 7.584 1.00 0.00 O ATOM 101 C2' DT A 4 -2.499 -0.704 5.558 1.00 0.00 C ATOM 102 C1' DT A 4 -2.342 -1.783 4.494 1.00 0.00 C ATOM 103 N1 DT A 4 -2.900 -1.433 3.162 1.00 0.00 N ATOM 104 C2 DT A 4 -2.005 -1.286 2.109 1.00 0.00 C ATOM 105 O2 DT A 4 -0.793 -1.157 2.269 1.00 0.00 O ATOM 106 N3 DT A 4 -2.553 -1.291 0.836 1.00 0.00 N ATOM 107 C4 DT A 4 -3.896 -1.387 0.518 1.00 0.00 C ATOM 108 O4 DT A 4 -4.244 -1.429 -0.661 1.00 0.00 O ATOM 109 C5 DT A 4 -4.774 -1.426 1.675 1.00 0.00 C ATOM 110 C7 DT A 4 -6.276 -1.476 1.475 1.00 0.00 C ATOM 111 C6 DT A 4 -4.259 -1.445 2.932 1.00 0.00 C ATOM 0 H5' DT A 4 -3.663 -3.653 8.192 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.808 -3.168 6.957 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.839 -3.556 6.531 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.318 -1.158 7.518 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.410 -0.122 5.417 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.667 -0.000 5.550 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.282 -1.968 4.323 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.901 -1.216 0.055 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.736 -2.012 2.305 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.672 -0.461 1.435 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.502 -1.991 0.541 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.934 -1.470 3.775 1.00 0.00 H new ATOM 124 P DA A 5 -0.853 -0.130 8.357 1.00 0.00 P ATOM 125 OP1 DA A 5 -0.027 -0.537 9.515 1.00 0.00 O ATOM 126 OP2 DA A 5 -2.039 0.730 8.572 1.00 0.00 O ATOM 127 O5' DA A 5 0.101 0.609 7.287 1.00 0.00 O ATOM 128 C5' DA A 5 1.422 0.173 7.034 1.00 0.00 C ATOM 129 C4' DA A 5 2.250 1.073 6.129 1.00 0.00 C ATOM 130 O4' DA A 5 1.633 1.085 4.849 1.00 0.00 O ATOM 131 C3' DA A 5 2.209 2.466 6.739 1.00 0.00 C ATOM 132 O3' DA A 5 3.330 3.247 6.406 1.00 0.00 O ATOM 133 C2' DA A 5 1.028 3.002 5.970 1.00 0.00 C ATOM 134 C1' DA A 5 1.174 2.392 4.575 1.00 0.00 C ATOM 135 N9 DA A 5 -0.115 2.254 3.846 1.00 0.00 N ATOM 136 C8 DA A 5 -1.420 2.437 4.257 1.00 0.00 C ATOM 137 N7 DA A 5 -2.309 2.311 3.312 1.00 0.00 N ATOM 138 C5 DA A 5 -1.552 1.993 2.196 1.00 0.00 C ATOM 139 C6 DA A 5 -1.881 1.735 0.851 1.00 0.00 C ATOM 140 N6 DA A 5 -3.129 1.795 0.372 1.00 0.00 N ATOM 141 N1 DA A 5 -0.887 1.388 0.015 1.00 0.00 N ATOM 142 C2 DA A 5 0.359 1.319 0.473 1.00 0.00 C ATOM 143 N3 DA A 5 0.798 1.556 1.701 1.00 0.00 N ATOM 144 C4 DA A 5 -0.222 1.900 2.527 1.00 0.00 C ATOM 0 H5' DA A 5 1.378 -0.820 6.587 1.00 0.00 H new ATOM 0 H5'' DA A 5 1.940 0.071 7.987 1.00 0.00 H new ATOM 0 H4' DA A 5 3.281 0.732 6.032 1.00 0.00 H new ATOM 0 H3' DA A 5 2.170 2.471 7.828 1.00 0.00 H new ATOM 0 H2' DA A 5 0.086 2.711 6.435 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.041 4.091 5.931 1.00 0.00 H new ATOM 0 H1' DA A 5 1.816 3.017 3.954 1.00 0.00 H new ATOM 0 H8 DA A 5 -1.683 2.666 5.279 1.00 0.00 H new ATOM 0 H61 DA A 5 -3.307 1.598 -0.613 1.00 0.00 H new ATOM 0 H62 DA A 5 -3.902 2.038 0.992 1.00 0.00 H new ATOM 0 H2 DA A 5 1.110 1.033 -0.248 1.00 0.00 H new ATOM 156 P DG A 6 4.806 3.082 7.059 1.00 0.00 P ATOM 157 OP1 DG A 6 5.421 1.840 6.539 1.00 0.00 O ATOM 158 OP2 DG A 6 4.717 3.324 8.516 1.00 0.00 O ATOM 159 O5' DG A 6 5.538 4.347 6.356 1.00 0.00 O ATOM 160 C5' DG A 6 4.940 4.887 5.196 1.00 0.00 C ATOM 161 C4' DG A 6 5.744 5.801 4.285 1.00 0.00 C ATOM 162 O4' DG A 6 4.791 6.359 3.395 1.00 0.00 O ATOM 163 C3' DG A 6 6.405 6.939 5.041 1.00 0.00 C ATOM 164 O3' DG A 6 7.645 7.145 4.372 1.00 0.00 O ATOM 165 C2' DG A 6 5.297 7.999 4.992 1.00 0.00 C ATOM 166 C1' DG A 6 4.667 7.750 3.625 1.00 0.00 C ATOM 167 N9 DG A 6 3.239 8.119 3.445 1.00 0.00 N ATOM 168 C8 DG A 6 2.273 8.538 4.334 1.00 0.00 C ATOM 169 N7 DG A 6 1.104 8.742 3.790 1.00 0.00 N ATOM 170 C5 DG A 6 1.289 8.412 2.453 1.00 0.00 C ATOM 171 C6 DG A 6 0.347 8.319 1.382 1.00 0.00 C ATOM 172 O6 DG A 6 -0.859 8.553 1.400 1.00 0.00 O ATOM 173 N1 DG A 6 0.942 7.897 0.196 1.00 0.00 N ATOM 174 C2 DG A 6 2.268 7.542 0.061 1.00 0.00 C ATOM 175 N2 DG A 6 2.689 7.155 -1.146 1.00 0.00 N ATOM 176 N3 DG A 6 3.138 7.580 1.078 1.00 0.00 N ATOM 177 C4 DG A 6 2.591 8.030 2.238 1.00 0.00 C ATOM 0 H5' DG A 6 4.056 5.441 5.514 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.591 4.050 4.591 1.00 0.00 H new ATOM 0 H4' DG A 6 6.539 5.238 3.797 1.00 0.00 H new ATOM 0 H3' DG A 6 6.705 6.849 6.085 1.00 0.00 H new ATOM 0 H2' DG A 6 4.577 7.872 5.800 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.697 9.009 5.077 1.00 0.00 H new ATOM 0 H1' DG A 6 5.192 8.402 2.927 1.00 0.00 H new ATOM 0 H8 DG A 6 2.466 8.684 5.387 1.00 0.00 H new ATOM 0 H1 DG A 6 0.353 7.847 -0.635 1.00 0.00 H new ATOM 0 H21 DG A 6 3.663 6.885 -1.284 1.00 0.00 H new ATOM 0 H22 DG A 6 2.037 7.129 -1.930 1.00 0.00 H new ATOM 189 P DC A 7 8.355 8.562 4.055 1.00 0.00 P ATOM 190 OP1 DC A 7 9.795 8.307 3.836 1.00 0.00 O ATOM 191 OP2 DC A 7 7.938 9.568 5.056 1.00 0.00 O ATOM 192 O5' DC A 7 7.694 8.923 2.629 1.00 0.00 O ATOM 193 C5' DC A 7 7.844 8.054 1.517 1.00 0.00 C ATOM 194 C4' DC A 7 7.165 8.605 0.258 1.00 0.00 C ATOM 195 O4' DC A 7 5.785 8.797 0.563 1.00 0.00 O ATOM 196 C3' DC A 7 7.751 9.964 -0.165 1.00 0.00 C ATOM 197 O3' DC A 7 7.799 10.018 -1.586 1.00 0.00 O ATOM 198 C2' DC A 7 6.683 10.880 0.425 1.00 0.00 C ATOM 199 C1' DC A 7 5.434 10.077 0.090 1.00 0.00 C ATOM 200 N1 DC A 7 4.163 10.604 0.680 1.00 0.00 N ATOM 201 C2 DC A 7 3.023 10.658 -0.136 1.00 0.00 C ATOM 202 O2 DC A 7 3.053 10.340 -1.323 1.00 0.00 O ATOM 203 N3 DC A 7 1.846 11.075 0.410 1.00 0.00 N ATOM 204 C4 DC A 7 1.770 11.480 1.683 1.00 0.00 C ATOM 205 N4 DC A 7 0.579 11.848 2.167 1.00 0.00 N ATOM 206 C5 DC A 7 2.936 11.508 2.516 1.00 0.00 C ATOM 207 C6 DC A 7 4.094 11.068 1.976 1.00 0.00 C ATOM 0 H5' DC A 7 7.420 7.079 1.760 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.905 7.900 1.318 1.00 0.00 H new ATOM 0 H4' DC A 7 7.319 7.899 -0.558 1.00 0.00 H new ATOM 0 H3' DC A 7 8.764 10.201 0.161 1.00 0.00 H new ATOM 0 H2' DC A 7 6.808 11.029 1.498 1.00 0.00 H new ATOM 0 H2'' DC A 7 6.680 11.868 -0.036 1.00 0.00 H new ATOM 0 H1' DC A 7 5.187 10.109 -0.971 1.00 0.00 H new ATOM 0 H41 DC A 7 0.496 12.160 3.134 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.246 11.816 1.569 1.00 0.00 H new ATOM 0 H5 DC A 7 2.891 11.866 3.534 1.00 0.00 H new ATOM 0 H6 DC A 7 4.991 11.080 2.577 1.00 0.00 H new ATOM 219 P DG A 8 8.448 11.258 -2.406 1.00 0.00 P ATOM 220 OP1 DG A 8 9.655 10.763 -3.103 1.00 0.00 O ATOM 221 OP2 DG A 8 8.553 12.427 -1.504 1.00 0.00 O ATOM 222 O5' DG A 8 7.321 11.585 -3.523 1.00 0.00 O ATOM 223 C5' DG A 8 5.968 11.782 -3.158 1.00 0.00 C ATOM 224 C4' DG A 8 5.369 13.074 -3.660 1.00 0.00 C ATOM 225 O4' DG A 8 4.088 12.984 -3.096 1.00 0.00 O ATOM 226 C3' DG A 8 5.949 14.354 -3.072 1.00 0.00 C ATOM 227 O3' DG A 8 6.940 14.915 -3.905 1.00 0.00 O ATOM 228 C2' DG A 8 4.701 15.240 -3.019 1.00 0.00 C ATOM 229 C1' DG A 8 3.533 14.256 -3.177 1.00 0.00 C ATOM 230 N9 DG A 8 2.587 14.324 -2.044 1.00 0.00 N ATOM 231 C8 DG A 8 2.869 14.147 -0.714 1.00 0.00 C ATOM 232 N7 DG A 8 1.832 14.228 0.067 1.00 0.00 N ATOM 233 C5 DG A 8 0.776 14.459 -0.809 1.00 0.00 C ATOM 234 C6 DG A 8 -0.617 14.613 -0.541 1.00 0.00 C ATOM 235 O6 DG A 8 -1.190 14.554 0.543 1.00 0.00 O ATOM 236 N1 DG A 8 -1.354 14.859 -1.695 1.00 0.00 N ATOM 237 C2 DG A 8 -0.821 14.917 -2.970 1.00 0.00 C ATOM 238 N2 DG A 8 -1.673 15.130 -3.977 1.00 0.00 N ATOM 239 N3 DG A 8 0.489 14.760 -3.225 1.00 0.00 N ATOM 240 C4 DG A 8 1.231 14.537 -2.106 1.00 0.00 C ATOM 0 H5' DG A 8 5.890 11.758 -2.071 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.377 10.949 -3.539 1.00 0.00 H new ATOM 0 H4' DG A 8 5.500 13.151 -4.739 1.00 0.00 H new ATOM 0 H3' DG A 8 6.451 14.216 -2.114 1.00 0.00 H new ATOM 0 H2' DG A 8 4.639 15.784 -2.077 1.00 0.00 H new ATOM 0 H2'' DG A 8 4.706 15.983 -3.816 1.00 0.00 H new ATOM 0 HO3' DG A 8 7.287 15.735 -3.495 1.00 0.00 H new ATOM 0 H1' DG A 8 3.012 14.485 -4.107 1.00 0.00 H new ATOM 0 H8 DG A 8 3.867 13.957 -0.346 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.358 15.007 -1.594 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.327 15.181 -4.935 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.669 15.242 -3.787 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -10.792 17.834 -1.453 1.00 0.00 O ATOM 255 C5' DC B 1 -10.383 16.497 -1.647 1.00 0.00 C ATOM 256 C4' DC B 1 -9.322 16.417 -2.751 1.00 0.00 C ATOM 257 O4' DC B 1 -8.182 17.130 -2.300 1.00 0.00 O ATOM 258 C3' DC B 1 -8.898 14.963 -3.007 1.00 0.00 C ATOM 259 O3' DC B 1 -9.027 14.696 -4.390 1.00 0.00 O ATOM 260 C2' DC B 1 -7.449 14.945 -2.534 1.00 0.00 C ATOM 261 C1' DC B 1 -7.016 16.396 -2.624 1.00 0.00 C ATOM 262 N1 DC B 1 -5.965 16.629 -1.598 1.00 0.00 N ATOM 263 C2 DC B 1 -4.639 16.367 -1.947 1.00 0.00 C ATOM 264 O2 DC B 1 -4.326 16.099 -3.106 1.00 0.00 O ATOM 265 N3 DC B 1 -3.689 16.407 -0.969 1.00 0.00 N ATOM 266 C4 DC B 1 -4.012 16.671 0.306 1.00 0.00 C ATOM 267 N4 DC B 1 -3.046 16.653 1.229 1.00 0.00 N ATOM 268 C5 DC B 1 -5.375 16.893 0.697 1.00 0.00 C ATOM 269 C6 DC B 1 -6.308 16.852 -0.284 1.00 0.00 C ATOM 0 H5' DC B 1 -11.242 15.882 -1.915 1.00 0.00 H new ATOM 0 H5'' DC B 1 -9.981 16.095 -0.717 1.00 0.00 H new ATOM 0 H4' DC B 1 -9.732 16.831 -3.672 1.00 0.00 H new ATOM 0 H3' DC B 1 -9.492 14.204 -2.497 1.00 0.00 H new ATOM 0 H2' DC B 1 -7.366 14.566 -1.515 1.00 0.00 H new ATOM 0 H2'' DC B 1 -6.831 14.304 -3.163 1.00 0.00 H new ATOM 0 HO5' DC B 1 -10.046 18.437 -1.653 1.00 0.00 H new ATOM 0 H1' DC B 1 -6.615 16.676 -3.598 1.00 0.00 H new ATOM 0 H41 DC B 1 -3.269 16.851 2.204 1.00 0.00 H new ATOM 0 H42 DC B 1 -2.086 16.441 0.958 1.00 0.00 H new ATOM 0 H5 DC B 1 -5.644 17.084 1.725 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.347 16.998 -0.029 1.00 0.00 H new ATOM 282 P DG B 2 -8.760 13.232 -5.015 1.00 0.00 P ATOM 283 OP1 DG B 2 -9.313 13.212 -6.388 1.00 0.00 O ATOM 284 OP2 DG B 2 -9.195 12.212 -4.035 1.00 0.00 O ATOM 285 O5' DG B 2 -7.154 13.177 -5.121 1.00 0.00 O ATOM 286 C5' DG B 2 -6.417 14.225 -5.722 1.00 0.00 C ATOM 287 C4' DG B 2 -5.121 13.700 -6.358 1.00 0.00 C ATOM 288 O4' DG B 2 -4.188 13.531 -5.304 1.00 0.00 O ATOM 289 C3' DG B 2 -5.288 12.345 -7.055 1.00 0.00 C ATOM 290 O3' DG B 2 -4.379 12.300 -8.146 1.00 0.00 O ATOM 291 C2' DG B 2 -4.885 11.397 -5.932 1.00 0.00 C ATOM 292 C1' DG B 2 -3.753 12.186 -5.269 1.00 0.00 C ATOM 293 N9 DG B 2 -3.554 11.886 -3.826 1.00 0.00 N ATOM 294 C8 DG B 2 -4.495 11.772 -2.825 1.00 0.00 C ATOM 295 N7 DG B 2 -3.995 11.569 -1.640 1.00 0.00 N ATOM 296 C5 DG B 2 -2.623 11.552 -1.852 1.00 0.00 C ATOM 297 C6 DG B 2 -1.556 11.357 -0.923 1.00 0.00 C ATOM 298 O6 DG B 2 -1.628 11.198 0.291 1.00 0.00 O ATOM 299 N1 DG B 2 -0.310 11.356 -1.541 1.00 0.00 N ATOM 300 C2 DG B 2 -0.105 11.573 -2.889 1.00 0.00 C ATOM 301 N2 DG B 2 1.156 11.507 -3.329 1.00 0.00 N ATOM 302 N3 DG B 2 -1.105 11.803 -3.755 1.00 0.00 N ATOM 303 C4 DG B 2 -2.340 11.764 -3.182 1.00 0.00 C ATOM 0 H5' DG B 2 -6.178 14.980 -4.973 1.00 0.00 H new ATOM 0 H5'' DG B 2 -7.027 14.712 -6.483 1.00 0.00 H new ATOM 0 H4' DG B 2 -4.803 14.414 -7.117 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.272 12.121 -7.467 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.707 11.201 -5.244 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.548 10.432 -6.309 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.825 11.948 -5.790 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.557 11.845 -3.008 1.00 0.00 H new ATOM 0 H1 DG B 2 0.509 11.183 -0.958 1.00 0.00 H new ATOM 0 H21 DG B 2 1.360 11.660 -4.317 1.00 0.00 H new ATOM 0 H22 DG B 2 1.914 11.304 -2.677 1.00 0.00 H new ATOM 315 P DC B 3 -4.158 10.978 -9.055 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.645 11.408 -10.375 1.00 0.00 O ATOM 317 OP2 DC B 3 -5.381 10.148 -8.980 1.00 0.00 O ATOM 318 O5' DC B 3 -2.971 10.199 -8.280 1.00 0.00 O ATOM 319 C5' DC B 3 -1.655 10.720 -8.247 1.00 0.00 C ATOM 320 C4' DC B 3 -0.695 9.833 -7.443 1.00 0.00 C ATOM 321 O4' DC B 3 -1.050 10.006 -6.090 1.00 0.00 O ATOM 322 C3' DC B 3 -0.773 8.316 -7.709 1.00 0.00 C ATOM 323 O3' DC B 3 0.337 7.851 -8.458 1.00 0.00 O ATOM 324 C2' DC B 3 -0.806 7.725 -6.299 1.00 0.00 C ATOM 325 C1' DC B 3 -0.481 8.918 -5.411 1.00 0.00 C ATOM 326 N1 DC B 3 -1.132 8.741 -4.103 1.00 0.00 N ATOM 327 C2 DC B 3 -0.382 8.304 -3.013 1.00 0.00 C ATOM 328 O2 DC B 3 0.841 8.206 -3.076 1.00 0.00 O ATOM 329 N3 DC B 3 -1.044 7.986 -1.865 1.00 0.00 N ATOM 330 C4 DC B 3 -2.381 8.011 -1.800 1.00 0.00 C ATOM 331 N4 DC B 3 -2.959 7.833 -0.609 1.00 0.00 N ATOM 332 C5 DC B 3 -3.157 8.323 -2.965 1.00 0.00 C ATOM 333 C6 DC B 3 -2.493 8.717 -4.056 1.00 0.00 C ATOM 0 H5' DC B 3 -1.673 11.719 -7.811 1.00 0.00 H new ATOM 0 H5'' DC B 3 -1.282 10.824 -9.266 1.00 0.00 H new ATOM 0 H4' DC B 3 0.311 10.140 -7.729 1.00 0.00 H new ATOM 0 H3' DC B 3 -1.636 8.030 -8.311 1.00 0.00 H new ATOM 0 H2' DC B 3 -1.783 7.302 -6.063 1.00 0.00 H new ATOM 0 H2'' DC B 3 -0.075 6.925 -6.181 1.00 0.00 H new ATOM 0 H1' DC B 3 0.586 9.047 -5.231 1.00 0.00 H new ATOM 0 H41 DC B 3 -3.976 7.847 -0.528 1.00 0.00 H new ATOM 0 H42 DC B 3 -2.384 7.683 0.220 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.234 8.243 -2.961 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.053 9.026 -4.927 1.00 0.00 H new ATOM 345 P DT B 4 0.337 6.403 -9.188 1.00 0.00 P ATOM 346 OP1 DT B 4 1.325 6.465 -10.288 1.00 0.00 O ATOM 347 OP2 DT B 4 -1.062 6.027 -9.492 1.00 0.00 O ATOM 348 O5' DT B 4 0.892 5.351 -8.096 1.00 0.00 O ATOM 349 C5' DT B 4 1.121 4.001 -8.467 1.00 0.00 C ATOM 350 C4' DT B 4 1.669 3.180 -7.296 1.00 0.00 C ATOM 351 O4' DT B 4 0.657 3.091 -6.316 1.00 0.00 O ATOM 352 C3' DT B 4 1.979 1.733 -7.711 1.00 0.00 C ATOM 353 O3' DT B 4 3.383 1.550 -7.793 1.00 0.00 O ATOM 354 C2' DT B 4 1.327 0.891 -6.608 1.00 0.00 C ATOM 355 C1' DT B 4 0.925 1.929 -5.566 1.00 0.00 C ATOM 356 N1 DT B 4 -0.315 1.575 -4.826 1.00 0.00 N ATOM 357 C2 DT B 4 -0.230 1.411 -3.446 1.00 0.00 C ATOM 358 O2 DT B 4 0.835 1.384 -2.835 1.00 0.00 O ATOM 359 N3 DT B 4 -1.433 1.279 -2.774 1.00 0.00 N ATOM 360 C4 DT B 4 -2.697 1.292 -3.333 1.00 0.00 C ATOM 361 O4 DT B 4 -3.687 1.227 -2.609 1.00 0.00 O ATOM 362 C5 DT B 4 -2.700 1.385 -4.782 1.00 0.00 C ATOM 363 C7 DT B 4 -4.019 1.353 -5.528 1.00 0.00 C ATOM 364 C6 DT B 4 -1.534 1.519 -5.466 1.00 0.00 C ATOM 0 H5' DT B 4 1.826 3.966 -9.298 1.00 0.00 H new ATOM 0 H5'' DT B 4 0.190 3.557 -8.819 1.00 0.00 H new ATOM 0 H4' DT B 4 2.577 3.667 -6.942 1.00 0.00 H new ATOM 0 H3' DT B 4 1.596 1.455 -8.693 1.00 0.00 H new ATOM 0 H2' DT B 4 0.464 0.339 -6.980 1.00 0.00 H new ATOM 0 H2'' DT B 4 2.021 0.158 -6.198 1.00 0.00 H new ATOM 0 H1' DT B 4 1.714 2.027 -4.821 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.381 1.160 -1.762 1.00 0.00 H new ATOM 0 H71 DT B 4 -3.932 1.933 -6.447 1.00 0.00 H new ATOM 0 H72 DT B 4 -4.274 0.322 -5.773 1.00 0.00 H new ATOM 0 H73 DT B 4 -4.802 1.781 -4.902 1.00 0.00 H new ATOM 0 H6 DT B 4 -1.563 1.584 -6.544 1.00 0.00 H new ATOM 377 P DA B 5 4.050 0.150 -8.259 1.00 0.00 P ATOM 378 OP1 DA B 5 5.366 0.446 -8.868 1.00 0.00 O ATOM 379 OP2 DA B 5 3.044 -0.616 -9.028 1.00 0.00 O ATOM 380 O5' DA B 5 4.304 -0.626 -6.867 1.00 0.00 O ATOM 381 C5' DA B 5 5.280 -0.182 -5.946 1.00 0.00 C ATOM 382 C4' DA B 5 5.331 -0.928 -4.623 1.00 0.00 C ATOM 383 O4' DA B 5 4.025 -0.849 -4.064 1.00 0.00 O ATOM 384 C3' DA B 5 5.675 -2.384 -4.906 1.00 0.00 C ATOM 385 O3' DA B 5 6.291 -3.027 -3.806 1.00 0.00 O ATOM 386 C2' DA B 5 4.271 -2.916 -5.050 1.00 0.00 C ATOM 387 C1' DA B 5 3.523 -2.161 -3.958 1.00 0.00 C ATOM 388 N9 DA B 5 2.053 -2.124 -4.137 1.00 0.00 N ATOM 389 C8 DA B 5 1.275 -2.326 -5.255 1.00 0.00 C ATOM 390 N7 DA B 5 -0.010 -2.279 -5.032 1.00 0.00 N ATOM 391 C5 DA B 5 -0.098 -2.019 -3.671 1.00 0.00 C ATOM 392 C6 DA B 5 -1.182 -1.861 -2.780 1.00 0.00 C ATOM 393 N6 DA B 5 -2.467 -1.950 -3.142 1.00 0.00 N ATOM 394 N1 DA B 5 -0.908 -1.587 -1.494 1.00 0.00 N ATOM 395 C2 DA B 5 0.360 -1.488 -1.106 1.00 0.00 C ATOM 396 N3 DA B 5 1.460 -1.628 -1.829 1.00 0.00 N ATOM 397 C4 DA B 5 1.157 -1.898 -3.125 1.00 0.00 C ATOM 0 H5' DA B 5 5.103 0.874 -5.739 1.00 0.00 H new ATOM 0 H5'' DA B 5 6.259 -0.255 -6.420 1.00 0.00 H new ATOM 0 H4' DA B 5 6.073 -0.509 -3.944 1.00 0.00 H new ATOM 0 H3' DA B 5 6.366 -2.527 -5.737 1.00 0.00 H new ATOM 0 H2' DA B 5 3.859 -2.714 -6.039 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.228 -3.995 -4.901 1.00 0.00 H new ATOM 0 H1' DA B 5 3.676 -2.647 -2.995 1.00 0.00 H new ATOM 0 H8 DA B 5 1.693 -2.508 -6.234 1.00 0.00 H new ATOM 0 H61 DA B 5 -3.203 -1.825 -2.447 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.711 -2.143 -4.113 1.00 0.00 H new ATOM 0 H2 DA B 5 0.513 -1.263 -0.061 1.00 0.00 H new ATOM 409 P DG B 6 7.812 -2.734 -3.322 1.00 0.00 P ATOM 410 OP1 DG B 6 7.823 -1.479 -2.537 1.00 0.00 O ATOM 411 OP2 DG B 6 8.719 -2.895 -4.480 1.00 0.00 O ATOM 412 O5' DG B 6 8.056 -3.965 -2.299 1.00 0.00 O ATOM 413 C5' DG B 6 6.958 -4.455 -1.558 1.00 0.00 C ATOM 414 C4' DG B 6 7.234 -5.426 -0.413 1.00 0.00 C ATOM 415 O4' DG B 6 5.984 -6.029 -0.118 1.00 0.00 O ATOM 416 C3' DG B 6 8.202 -6.534 -0.781 1.00 0.00 C ATOM 417 O3' DG B 6 8.927 -6.789 0.417 1.00 0.00 O ATOM 418 C2' DG B 6 7.233 -7.578 -1.347 1.00 0.00 C ATOM 419 C1' DG B 6 6.011 -7.404 -0.449 1.00 0.00 C ATOM 420 N9 DG B 6 4.685 -7.770 -1.020 1.00 0.00 N ATOM 421 C8 DG B 6 4.308 -8.127 -2.299 1.00 0.00 C ATOM 422 N7 DG B 6 3.036 -8.364 -2.440 1.00 0.00 N ATOM 423 C5 DG B 6 2.508 -8.115 -1.182 1.00 0.00 C ATOM 424 C6 DG B 6 1.146 -8.086 -0.753 1.00 0.00 C ATOM 425 O6 DG B 6 0.137 -8.328 -1.410 1.00 0.00 O ATOM 426 N1 DG B 6 1.028 -7.727 0.585 1.00 0.00 N ATOM 427 C2 DG B 6 2.084 -7.382 1.405 1.00 0.00 C ATOM 428 N2 DG B 6 1.800 -7.083 2.676 1.00 0.00 N ATOM 429 N3 DG B 6 3.358 -7.364 0.988 1.00 0.00 N ATOM 430 C4 DG B 6 3.505 -7.746 -0.310 1.00 0.00 C ATOM 0 H5' DG B 6 6.279 -4.947 -2.255 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.426 -3.598 -1.146 1.00 0.00 H new ATOM 0 H4' DG B 6 7.681 -4.877 0.416 1.00 0.00 H new ATOM 0 H3' DG B 6 8.990 -6.400 -1.522 1.00 0.00 H new ATOM 0 H2' DG B 6 6.998 -7.390 -2.395 1.00 0.00 H new ATOM 0 H2'' DG B 6 7.641 -8.587 -1.288 1.00 0.00 H new ATOM 0 H1' DG B 6 6.134 -8.096 0.384 1.00 0.00 H new ATOM 0 H8 DG B 6 5.011 -8.203 -3.116 1.00 0.00 H new ATOM 0 H1 DG B 6 0.092 -7.718 0.991 1.00 0.00 H new ATOM 0 H21 DG B 6 2.548 -6.822 3.318 1.00 0.00 H new ATOM 0 H22 DG B 6 0.835 -7.115 3.004 1.00 0.00 H new ATOM 442 P DC B 7 9.416 -8.226 0.975 1.00 0.00 P ATOM 443 OP1 DC B 7 10.555 -7.991 1.890 1.00 0.00 O ATOM 444 OP2 DC B 7 9.568 -9.176 -0.148 1.00 0.00 O ATOM 445 O5' DC B 7 8.146 -8.658 1.870 1.00 0.00 O ATOM 446 C5' DC B 7 7.704 -7.839 2.941 1.00 0.00 C ATOM 447 C4' DC B 7 6.473 -8.418 3.651 1.00 0.00 C ATOM 448 O4' DC B 7 5.449 -8.592 2.675 1.00 0.00 O ATOM 449 C3' DC B 7 6.764 -9.789 4.284 1.00 0.00 C ATOM 450 O3' DC B 7 6.064 -9.874 5.519 1.00 0.00 O ATOM 451 C2' DC B 7 6.169 -10.682 3.201 1.00 0.00 C ATOM 452 C1' DC B 7 4.918 -9.886 2.858 1.00 0.00 C ATOM 453 N1 DC B 7 4.150 -10.395 1.677 1.00 0.00 N ATOM 454 C2 DC B 7 2.755 -10.502 1.782 1.00 0.00 C ATOM 455 O2 DC B 7 2.157 -10.248 2.827 1.00 0.00 O ATOM 456 N3 DC B 7 2.042 -10.897 0.690 1.00 0.00 N ATOM 457 C4 DC B 7 2.649 -11.232 -0.456 1.00 0.00 C ATOM 458 N4 DC B 7 1.896 -11.586 -1.501 1.00 0.00 N ATOM 459 C5 DC B 7 4.078 -11.207 -0.566 1.00 0.00 C ATOM 460 C6 DC B 7 4.776 -10.793 0.514 1.00 0.00 C ATOM 0 H5' DC B 7 7.467 -6.845 2.561 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.513 -7.720 3.662 1.00 0.00 H new ATOM 0 H4' DC B 7 6.178 -7.732 4.445 1.00 0.00 H new ATOM 0 H3' DC B 7 7.799 -10.027 4.529 1.00 0.00 H new ATOM 0 H2' DC B 7 6.835 -10.800 2.346 1.00 0.00 H new ATOM 0 H2'' DC B 7 5.939 -11.683 3.566 1.00 0.00 H new ATOM 0 H1' DC B 7 4.152 -9.947 3.632 1.00 0.00 H new ATOM 0 H41 DC B 7 2.337 -11.845 -2.383 1.00 0.00 H new ATOM 0 H42 DC B 7 0.880 -11.597 -1.417 1.00 0.00 H new ATOM 0 H5 DC B 7 4.577 -11.507 -1.476 1.00 0.00 H new ATOM 0 H6 DC B 7 5.855 -10.773 0.465 1.00 0.00 H new ATOM 472 P DG B 8 6.203 -11.133 6.533 1.00 0.00 P ATOM 473 OP1 DG B 8 6.867 -10.653 7.765 1.00 0.00 O ATOM 474 OP2 DG B 8 6.774 -12.281 5.794 1.00 0.00 O ATOM 475 O5' DG B 8 4.662 -11.481 6.893 1.00 0.00 O ATOM 476 C5' DG B 8 3.700 -11.667 5.874 1.00 0.00 C ATOM 477 C4' DG B 8 2.940 -12.969 5.965 1.00 0.00 C ATOM 478 O4' DG B 8 2.142 -12.864 4.813 1.00 0.00 O ATOM 479 C3' DG B 8 3.754 -14.238 5.742 1.00 0.00 C ATOM 480 O3' DG B 8 4.165 -14.820 6.960 1.00 0.00 O ATOM 481 C2' DG B 8 2.727 -15.120 5.025 1.00 0.00 C ATOM 482 C1' DG B 8 1.641 -14.137 4.566 1.00 0.00 C ATOM 483 N9 DG B 8 1.431 -14.180 3.105 1.00 0.00 N ATOM 484 C8 DG B 8 2.367 -13.979 2.125 1.00 0.00 C ATOM 485 N7 DG B 8 1.897 -14.055 0.913 1.00 0.00 N ATOM 486 C5 DG B 8 0.543 -14.315 1.100 1.00 0.00 C ATOM 487 C6 DG B 8 -0.495 -14.490 0.138 1.00 0.00 C ATOM 488 O6 DG B 8 -0.413 -14.422 -1.085 1.00 0.00 O ATOM 489 N1 DG B 8 -1.723 -14.769 0.731 1.00 0.00 N ATOM 490 C2 DG B 8 -1.939 -14.840 2.094 1.00 0.00 C ATOM 491 N2 DG B 8 -3.188 -15.093 2.501 1.00 0.00 N ATOM 492 N3 DG B 8 -0.965 -14.665 3.003 1.00 0.00 N ATOM 493 C4 DG B 8 0.249 -14.410 2.442 1.00 0.00 C ATOM 0 H5' DG B 8 4.199 -11.618 4.906 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.989 -10.842 5.907 1.00 0.00 H new ATOM 0 H4' DG B 8 2.489 -13.069 6.952 1.00 0.00 H new ATOM 0 H3' DG B 8 4.682 -14.080 5.192 1.00 0.00 H new ATOM 0 H2' DG B 8 3.173 -15.644 4.180 1.00 0.00 H new ATOM 0 H2'' DG B 8 2.320 -15.880 5.692 1.00 0.00 H new ATOM 0 HO3' DG B 8 4.683 -15.632 6.776 1.00 0.00 H new ATOM 0 H1' DG B 8 0.712 -14.384 5.080 1.00 0.00 H new ATOM 0 H8 DG B 8 3.406 -13.775 2.339 1.00 0.00 H new ATOM 0 H1 DG B 8 -2.520 -14.933 0.116 1.00 0.00 H new ATOM 0 H21 DG B 8 -3.397 -15.155 3.497 1.00 0.00 H new ATOM 0 H22 DG B 8 -3.931 -15.224 1.815 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -5.471 -4.701 3.633 1.00 0.00 C HETATM 508 C2 TOT A 9 -6.848 -4.951 3.564 1.00 0.00 C HETATM 509 C3 TOT A 9 -7.430 -5.251 2.324 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.652 -5.216 1.156 1.00 0.00 C HETATM 511 N5 TOT A 9 -4.375 -4.868 0.142 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.756 -4.869 -1.293 1.00 0.00 C HETATM 513 C7 TOT A 9 -3.112 -4.763 0.634 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.950 -4.702 -0.264 1.00 0.00 C HETATM 515 S9 TOT A 9 -2.999 -4.716 2.277 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.677 -4.774 2.466 1.00 0.00 C HETATM 517 C11 TOT A 9 -5.260 -4.972 1.208 1.00 0.00 C HETATM 518 C12 TOT A 9 1.801 -4.654 -0.740 1.00 0.00 C HETATM 519 C13 TOT A 9 2.773 -5.078 -1.660 1.00 0.00 C HETATM 520 C14 TOT A 9 2.430 -5.363 -2.982 1.00 0.00 C HETATM 521 C15 TOT A 9 1.086 -5.348 -3.358 1.00 0.00 C HETATM 522 C16 TOT A 9 0.084 -5.169 -2.386 1.00 0.00 C HETATM 523 C17 TOT A 9 0.421 -4.779 -1.059 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.558 -4.501 -0.051 1.00 0.00 C HETATM 525 C19 TOT A 9 -0.096 -3.996 1.184 1.00 0.00 C HETATM 526 C20 TOT A 9 1.259 -3.742 1.399 1.00 0.00 C HETATM 527 N21 TOT A 9 2.197 -4.100 0.474 1.00 0.00 N HETATM 528 C22 TOT A 9 3.597 -3.819 0.870 1.00 0.00 C HETATM 529 C23 TOT A 9 3.962 -4.046 2.350 1.00 0.00 C HETATM 530 C24 TOT A 9 5.485 -4.114 2.551 1.00 0.00 C HETATM 531 N25 TOT A 9 5.985 -3.493 3.814 1.00 0.00 N HETATM 532 C26 TOT A 9 5.696 -2.026 3.917 1.00 0.00 C HETATM 533 C27 TOT A 9 6.043 -1.209 2.659 1.00 0.00 C HETATM 534 C28 TOT A 9 7.453 -3.718 3.872 1.00 0.00 C HETATM 535 C29 TOT A 9 5.379 -4.178 4.985 1.00 0.00 C HETATM 536 C31 TOT A 9 -2.378 4.662 -6.000 1.00 0.00 C HETATM 537 C32 TOT A 9 -3.556 4.891 -6.722 1.00 0.00 C HETATM 538 C33 TOT A 9 -4.750 5.128 -6.030 1.00 0.00 C HETATM 539 C34 TOT A 9 -4.764 5.100 -4.627 1.00 0.00 C HETATM 540 N35 TOT A 9 -3.445 4.816 -2.501 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.573 4.800 -1.534 1.00 0.00 C HETATM 542 C37 TOT A 9 -2.123 4.751 -2.188 1.00 0.00 C HETATM 543 C38 TOT A 9 -1.684 4.736 -0.785 1.00 0.00 C HETATM 544 S39 TOT A 9 -1.098 4.695 -3.479 1.00 0.00 S HETATM 545 C40 TOT A 9 -2.378 4.737 -4.588 1.00 0.00 C HETATM 546 C41 TOT A 9 -3.576 4.902 -3.882 1.00 0.00 C HETATM 547 C42 TOT A 9 1.024 4.885 1.843 1.00 0.00 C HETATM 548 C43 TOT A 9 1.247 5.401 3.130 1.00 0.00 C HETATM 549 C44 TOT A 9 0.182 5.747 3.956 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.122 5.623 3.472 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.346 5.331 2.111 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.267 4.959 1.259 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.419 4.656 -0.134 1.00 0.00 C HETATM 554 C49 TOT A 9 0.737 4.261 -0.847 1.00 0.00 C HETATM 555 C50 TOT A 9 1.959 4.071 -0.193 1.00 0.00 C HETATM 556 N51 TOT A 9 2.082 4.319 1.149 1.00 0.00 N HETATM 557 C52 TOT A 9 3.383 3.970 1.768 1.00 0.00 C HETATM 558 C53 TOT A 9 3.944 2.566 1.464 1.00 0.00 C HETATM 559 C54 TOT A 9 5.436 2.502 1.857 1.00 0.00 C HETATM 560 N55 TOT A 9 6.086 1.164 1.717 1.00 0.00 N HETATM 561 C56 TOT A 9 5.649 0.268 2.834 1.00 0.00 C HETATM 562 C58 TOT A 9 7.555 1.386 1.806 1.00 0.00 C HETATM 563 C59 TOT A 9 5.786 0.577 0.385 1.00 0.00 C HETATM 0 H593 TOT A 9 4.708 0.460 0.273 1.00 0.00 H new HETATM 0 H592 TOT A 9 6.162 1.237 -0.397 1.00 0.00 H new HETATM 0 H591 TOT A 9 6.267 -0.397 0.300 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.871 2.054 1.005 1.00 0.00 H new HETATM 0 H582 TOT A 9 7.798 1.834 2.770 1.00 0.00 H new HETATM 0 H581 TOT A 9 8.074 0.432 1.709 1.00 0.00 H new HETATM 0 H562 TOT A 9 4.565 0.333 2.932 1.00 0.00 H new HETATM 0 H561 TOT A 9 6.076 0.637 3.767 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.985 3.218 1.245 1.00 0.00 H new HETATM 0 H541 TOT A 9 5.534 2.827 2.893 1.00 0.00 H new HETATM 0 H532 TOT A 9 3.381 1.812 2.015 1.00 0.00 H new HETATM 0 H531 TOT A 9 3.828 2.340 0.404 1.00 0.00 H new HETATM 0 H522 TOT A 9 4.120 4.707 1.448 1.00 0.00 H new HETATM 0 H521 TOT A 9 3.282 4.069 2.849 1.00 0.00 H new HETATM 0 H363 TOT A 9 -4.547 3.874 -0.960 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.484 5.650 -0.857 1.00 0.00 H new HETATM 0 H361 TOT A 9 -5.517 4.865 -2.075 1.00 0.00 H new HETATM 0 H293 TOT A 9 4.294 -4.082 4.941 1.00 0.00 H new HETATM 0 H292 TOT A 9 5.651 -5.233 4.970 1.00 0.00 H new HETATM 0 H291 TOT A 9 5.747 -3.722 5.904 1.00 0.00 H new HETATM 0 H283 TOT A 9 7.657 -4.789 3.867 1.00 0.00 H new HETATM 0 H282 TOT A 9 7.927 -3.254 3.007 1.00 0.00 H new HETATM 0 H281 TOT A 9 7.853 -3.276 4.785 1.00 0.00 H new HETATM 0 H272 TOT A 9 7.112 -1.282 2.457 1.00 0.00 H new HETATM 0 H271 TOT A 9 5.526 -1.627 1.795 1.00 0.00 H new HETATM 0 H262 TOT A 9 4.637 -1.893 4.138 1.00 0.00 H new HETATM 0 H261 TOT A 9 6.252 -1.619 4.762 1.00 0.00 H new HETATM 0 H242 TOT A 9 5.792 -5.160 2.532 1.00 0.00 H new HETATM 0 H241 TOT A 9 5.970 -3.624 1.707 1.00 0.00 H new HETATM 0 H232 TOT A 9 3.550 -3.239 2.955 1.00 0.00 H new HETATM 0 H231 TOT A 9 3.506 -4.972 2.700 1.00 0.00 H new HETATM 0 H222 TOT A 9 4.253 -4.440 0.260 1.00 0.00 H new HETATM 0 H221 TOT A 9 3.818 -2.781 0.621 1.00 0.00 H new HETATM 0 H8 TOT A 9 -2.209 -4.840 -1.314 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.437 -3.935 -1.755 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.273 -5.706 -1.797 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.838 -4.967 -1.382 1.00 0.00 H new HETATM 0 H50 TOT A 9 2.823 3.722 -0.758 1.00 0.00 H new HETATM 0 H49 TOT A 9 0.675 4.102 -1.924 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.356 5.391 1.706 1.00 0.00 H new HETATM 0 H45 TOT A 9 -1.968 5.752 4.147 1.00 0.00 H new HETATM 0 H44 TOT A 9 0.363 6.110 4.968 1.00 0.00 H new HETATM 0 H43 TOT A 9 2.269 5.532 3.487 1.00 0.00 H new HETATM 0 H4 TOT A 9 -7.130 -5.380 0.190 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.515 4.801 -0.083 1.00 0.00 H new HETATM 0 H34 TOT A 9 -5.709 5.233 -4.100 1.00 0.00 H new HETATM 0 H33 TOT A 9 -5.668 5.334 -6.581 1.00 0.00 H new HETATM 0 H32 TOT A 9 -3.543 4.885 -7.812 1.00 0.00 H new HETATM 0 H31 TOT A 9 -1.455 4.424 -6.530 1.00 0.00 H new HETATM 0 H3 TOT A 9 -8.487 -5.511 2.267 1.00 0.00 H new HETATM 0 H20 TOT A 9 1.573 -3.250 2.320 1.00 0.00 H new HETATM 0 H2 TOT A 9 -7.460 -4.913 4.465 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.811 -3.801 1.984 1.00 0.00 H new HETATM 0 H16 TOT A 9 -0.961 -5.331 -2.652 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.812 -5.475 -4.405 1.00 0.00 H new HETATM 0 H14 TOT A 9 3.204 -5.595 -3.714 1.00 0.00 H new HETATM 0 H13 TOT A 9 3.809 -5.186 -1.337 1.00 0.00 H new HETATM 0 H1 TOT A 9 -5.011 -4.450 4.589 1.00 0.00 H new