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 -29:sc= 0.00366 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 -28:sc= 0.00202 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 -9.242 -16.005 -4.888 1.00 0.00 O ATOM 2 C5' DC A 1 -9.322 -14.775 -4.198 1.00 0.00 C ATOM 3 C4' DC A 1 -8.914 -14.962 -2.732 1.00 0.00 C ATOM 4 O4' DC A 1 -7.549 -15.360 -2.716 1.00 0.00 O ATOM 5 C3' DC A 1 -9.038 -13.644 -1.953 1.00 0.00 C ATOM 6 O3' DC A 1 -9.811 -13.873 -0.792 1.00 0.00 O ATOM 7 C2' DC A 1 -7.586 -13.314 -1.636 1.00 0.00 C ATOM 8 C1' DC A 1 -6.860 -14.641 -1.710 1.00 0.00 C ATOM 9 N1 DC A 1 -5.460 -14.373 -2.143 1.00 0.00 N ATOM 10 C2 DC A 1 -4.507 -14.104 -1.158 1.00 0.00 C ATOM 11 O2 DC A 1 -4.747 -14.291 0.034 1.00 0.00 O ATOM 12 N3 DC A 1 -3.291 -13.622 -1.543 1.00 0.00 N ATOM 13 C4 DC A 1 -3.010 -13.383 -2.832 1.00 0.00 C ATOM 14 N4 DC A 1 -1.818 -12.870 -3.148 1.00 0.00 N ATOM 15 C5 DC A 1 -3.975 -13.640 -3.862 1.00 0.00 C ATOM 16 C6 DC A 1 -5.175 -14.128 -3.468 1.00 0.00 C ATOM 0 H5' DC A 1 -10.338 -14.384 -4.253 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.672 -14.040 -4.673 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.564 -15.704 -2.268 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.532 -12.830 -2.483 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.178 -12.600 -2.351 1.00 0.00 H new ATOM 0 H2'' DC A 1 -7.490 -12.865 -0.647 1.00 0.00 H new ATOM 0 HO5' DC A 1 -8.554 -16.567 -4.475 1.00 0.00 H new ATOM 0 H1' DC A 1 -6.834 -15.185 -0.766 1.00 0.00 H new ATOM 0 H41 DC A 1 -1.586 -12.681 -4.123 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.139 -12.667 -2.414 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.755 -13.453 -4.903 1.00 0.00 H new ATOM 0 H6 DC A 1 -5.930 -14.331 -4.213 1.00 0.00 H new ATOM 29 P DG A 2 -10.261 -12.670 0.186 1.00 0.00 P ATOM 30 OP1 DG A 2 -11.264 -13.205 1.134 1.00 0.00 O ATOM 31 OP2 DG A 2 -10.590 -11.485 -0.636 1.00 0.00 O ATOM 32 O5' DG A 2 -8.911 -12.357 1.006 1.00 0.00 O ATOM 33 C5' DG A 2 -8.208 -13.382 1.687 1.00 0.00 C ATOM 34 C4' DG A 2 -7.329 -12.809 2.812 1.00 0.00 C ATOM 35 O4' DG A 2 -6.047 -12.572 2.252 1.00 0.00 O ATOM 36 C3' DG A 2 -7.837 -11.473 3.371 1.00 0.00 C ATOM 37 O3' DG A 2 -7.535 -11.426 4.757 1.00 0.00 O ATOM 38 C2' DG A 2 -7.002 -10.488 2.557 1.00 0.00 C ATOM 39 C1' DG A 2 -5.665 -11.231 2.491 1.00 0.00 C ATOM 40 N9 DG A 2 -4.773 -10.883 1.349 1.00 0.00 N ATOM 41 C8 DG A 2 -5.088 -10.614 0.034 1.00 0.00 C ATOM 42 N7 DG A 2 -4.056 -10.508 -0.756 1.00 0.00 N ATOM 43 C5 DG A 2 -2.967 -10.695 0.086 1.00 0.00 C ATOM 44 C6 DG A 2 -1.567 -10.677 -0.202 1.00 0.00 C ATOM 45 O6 DG A 2 -1.015 -10.615 -1.298 1.00 0.00 O ATOM 46 N1 DG A 2 -0.789 -10.739 0.949 1.00 0.00 N ATOM 47 C2 DG A 2 -1.293 -10.909 2.223 1.00 0.00 C ATOM 48 N2 DG A 2 -0.413 -10.932 3.228 1.00 0.00 N ATOM 49 N3 DG A 2 -2.606 -11.029 2.482 1.00 0.00 N ATOM 50 C4 DG A 2 -3.393 -10.894 1.379 1.00 0.00 C ATOM 0 H5' DG A 2 -7.585 -13.930 0.980 1.00 0.00 H new ATOM 0 H5'' DG A 2 -8.918 -14.096 2.106 1.00 0.00 H new ATOM 0 H4' DG A 2 -7.330 -13.526 3.633 1.00 0.00 H new ATOM 0 H3' DG A 2 -8.908 -11.284 3.293 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.424 -10.307 1.568 1.00 0.00 H new ATOM 0 H2'' DG A 2 -6.912 -9.519 3.047 1.00 0.00 H new ATOM 0 H1' DG A 2 -5.110 -10.998 3.400 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.104 -10.501 -0.313 1.00 0.00 H new ATOM 0 H1 DG A 2 0.222 -10.653 0.845 1.00 0.00 H new ATOM 0 H21 DG A 2 -0.737 -11.055 4.187 1.00 0.00 H new ATOM 0 H22 DG A 2 0.583 -10.826 3.036 1.00 0.00 H new ATOM 62 P DC A 3 -7.804 -10.119 5.673 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.003 -10.571 7.068 1.00 0.00 O ATOM 64 OP2 DC A 3 -8.836 -9.283 5.018 1.00 0.00 O ATOM 65 O5' DC A 3 -6.392 -9.340 5.589 1.00 0.00 O ATOM 66 C5' DC A 3 -5.228 -9.897 6.170 1.00 0.00 C ATOM 67 C4' DC A 3 -3.982 -9.036 5.929 1.00 0.00 C ATOM 68 O4' DC A 3 -3.671 -9.201 4.566 1.00 0.00 O ATOM 69 C3' DC A 3 -4.128 -7.517 6.157 1.00 0.00 C ATOM 70 O3' DC A 3 -3.456 -7.115 7.337 1.00 0.00 O ATOM 71 C2' DC A 3 -3.483 -6.930 4.899 1.00 0.00 C ATOM 72 C1' DC A 3 -2.820 -8.135 4.247 1.00 0.00 C ATOM 73 N1 DC A 3 -2.789 -7.951 2.788 1.00 0.00 N ATOM 74 C2 DC A 3 -1.598 -7.585 2.167 1.00 0.00 C ATOM 75 O2 DC A 3 -0.538 -7.534 2.785 1.00 0.00 O ATOM 76 N3 DC A 3 -1.635 -7.283 0.839 1.00 0.00 N ATOM 77 C4 DC A 3 -2.790 -7.257 0.162 1.00 0.00 C ATOM 78 N4 DC A 3 -2.750 -7.089 -1.162 1.00 0.00 N ATOM 79 C5 DC A 3 -4.032 -7.491 0.838 1.00 0.00 C ATOM 80 C6 DC A 3 -3.972 -7.872 2.117 1.00 0.00 C ATOM 0 H5' DC A 3 -5.062 -10.893 5.760 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.382 -10.015 7.243 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.236 -9.369 6.650 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.157 -7.187 6.299 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.225 -6.475 4.242 1.00 0.00 H new ATOM 0 H2'' DC A 3 -2.756 -6.155 5.144 1.00 0.00 H new ATOM 0 H1' DC A 3 -1.795 -8.291 4.584 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.617 -7.066 -1.700 1.00 0.00 H new ATOM 0 H42 DC A 3 -1.853 -6.984 -1.636 1.00 0.00 H new ATOM 0 H5 DC A 3 -4.979 -7.364 0.334 1.00 0.00 H new ATOM 0 H6 DC A 3 -4.886 -8.124 2.633 1.00 0.00 H new ATOM 92 P DT A 4 -3.859 -5.770 8.149 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.241 -5.867 9.490 1.00 0.00 O ATOM 94 OP2 DT A 4 -5.322 -5.576 8.040 1.00 0.00 O ATOM 95 O5' DT A 4 -3.142 -4.544 7.379 1.00 0.00 O ATOM 96 C5' DT A 4 -3.388 -3.210 7.791 1.00 0.00 C ATOM 97 C4' DT A 4 -2.414 -2.230 7.131 1.00 0.00 C ATOM 98 O4' DT A 4 -2.677 -2.211 5.747 1.00 0.00 O ATOM 99 C3' DT A 4 -2.627 -0.788 7.616 1.00 0.00 C ATOM 100 O3' DT A 4 -1.585 -0.433 8.509 1.00 0.00 O ATOM 101 C2' DT A 4 -2.625 0.037 6.323 1.00 0.00 C ATOM 102 C1' DT A 4 -2.200 -0.977 5.266 1.00 0.00 C ATOM 103 N1 DT A 4 -2.816 -0.770 3.929 1.00 0.00 N ATOM 104 C2 DT A 4 -1.975 -0.750 2.819 1.00 0.00 C ATOM 105 O2 DT A 4 -0.749 -0.765 2.898 1.00 0.00 O ATOM 106 N3 DT A 4 -2.598 -0.715 1.583 1.00 0.00 N ATOM 107 C4 DT A 4 -3.963 -0.705 1.348 1.00 0.00 C ATOM 108 O4 DT A 4 -4.387 -0.696 0.195 1.00 0.00 O ATOM 109 C5 DT A 4 -4.772 -0.706 2.552 1.00 0.00 C ATOM 110 C7 DT A 4 -6.283 -0.669 2.440 1.00 0.00 C ATOM 111 C6 DT A 4 -4.185 -0.740 3.775 1.00 0.00 C ATOM 0 H5' DT A 4 -3.297 -3.140 8.875 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.412 -2.933 7.538 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.404 -2.558 7.378 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.550 -0.629 8.174 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.609 0.454 6.109 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.930 0.875 6.380 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.122 -0.901 5.125 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.991 -0.695 0.764 1.00 0.00 H new ATOM 0 H71 DT A 4 -6.724 -1.187 3.292 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.622 0.367 2.430 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.592 -1.161 1.517 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.811 -0.744 4.655 1.00 0.00 H new ATOM 124 P DA A 5 -1.491 1.027 9.197 1.00 0.00 P ATOM 125 OP1 DA A 5 -0.766 0.885 10.479 1.00 0.00 O ATOM 126 OP2 DA A 5 -2.836 1.645 9.179 1.00 0.00 O ATOM 127 O5' DA A 5 -0.550 1.846 8.174 1.00 0.00 O ATOM 128 C5' DA A 5 0.812 1.513 8.002 1.00 0.00 C ATOM 129 C4' DA A 5 1.579 2.358 6.999 1.00 0.00 C ATOM 130 O4' DA A 5 0.961 2.178 5.729 1.00 0.00 O ATOM 131 C3' DA A 5 1.439 3.802 7.452 1.00 0.00 C ATOM 132 O3' DA A 5 2.529 4.603 7.065 1.00 0.00 O ATOM 133 C2' DA A 5 0.243 4.177 6.613 1.00 0.00 C ATOM 134 C1' DA A 5 0.426 3.412 5.300 1.00 0.00 C ATOM 135 N9 DA A 5 -0.857 3.127 4.593 1.00 0.00 N ATOM 136 C8 DA A 5 -2.170 3.285 4.988 1.00 0.00 C ATOM 137 N7 DA A 5 -3.051 3.074 4.048 1.00 0.00 N ATOM 138 C5 DA A 5 -2.279 2.723 2.953 1.00 0.00 C ATOM 139 C6 DA A 5 -2.585 2.422 1.608 1.00 0.00 C ATOM 140 N6 DA A 5 -3.819 2.459 1.094 1.00 0.00 N ATOM 141 N1 DA A 5 -1.575 2.081 0.792 1.00 0.00 N ATOM 142 C2 DA A 5 -0.336 2.047 1.269 1.00 0.00 C ATOM 143 N3 DA A 5 0.083 2.336 2.493 1.00 0.00 N ATOM 144 C4 DA A 5 -0.950 2.684 3.298 1.00 0.00 C ATOM 0 H5' DA A 5 0.875 0.470 7.693 1.00 0.00 H new ATOM 0 H5'' DA A 5 1.310 1.589 8.969 1.00 0.00 H new ATOM 0 H4' DA A 5 2.632 2.085 6.931 1.00 0.00 H new ATOM 0 H3' DA A 5 1.368 3.928 8.532 1.00 0.00 H new ATOM 0 H2' DA A 5 -0.688 3.898 7.106 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.203 5.253 6.441 1.00 0.00 H new ATOM 0 H1' DA A 5 1.035 3.986 4.602 1.00 0.00 H new ATOM 0 H8 DA A 5 -2.447 3.561 5.995 1.00 0.00 H new ATOM 0 H61 DA A 5 -3.969 2.229 0.112 1.00 0.00 H new ATOM 0 H62 DA A 5 -4.610 2.717 1.684 1.00 0.00 H new ATOM 0 H2 DA A 5 0.429 1.745 0.569 1.00 0.00 H new ATOM 156 P DG A 6 3.974 4.624 7.807 1.00 0.00 P ATOM 157 OP1 DG A 6 4.675 3.356 7.505 1.00 0.00 O ATOM 158 OP2 DG A 6 3.791 5.064 9.207 1.00 0.00 O ATOM 159 O5' DG A 6 4.686 5.815 6.965 1.00 0.00 O ATOM 160 C5' DG A 6 4.103 6.174 5.731 1.00 0.00 C ATOM 161 C4' DG A 6 4.870 7.032 4.732 1.00 0.00 C ATOM 162 O4' DG A 6 3.862 7.391 3.809 1.00 0.00 O ATOM 163 C3' DG A 6 5.361 8.316 5.396 1.00 0.00 C ATOM 164 O3' DG A 6 6.321 9.069 4.674 1.00 0.00 O ATOM 165 C2' DG A 6 4.099 9.156 5.344 1.00 0.00 C ATOM 166 C1' DG A 6 3.640 8.775 3.935 1.00 0.00 C ATOM 167 N9 DG A 6 2.232 9.081 3.613 1.00 0.00 N ATOM 168 C8 DG A 6 1.215 9.562 4.400 1.00 0.00 C ATOM 169 N7 DG A 6 0.072 9.673 3.781 1.00 0.00 N ATOM 170 C5 DG A 6 0.343 9.220 2.493 1.00 0.00 C ATOM 171 C6 DG A 6 -0.530 8.999 1.386 1.00 0.00 C ATOM 172 O6 DG A 6 -1.742 9.193 1.320 1.00 0.00 O ATOM 173 N1 DG A 6 0.145 8.494 0.278 1.00 0.00 N ATOM 174 C2 DG A 6 1.487 8.168 0.252 1.00 0.00 C ATOM 175 N2 DG A 6 1.987 7.679 -0.886 1.00 0.00 N ATOM 176 N3 DG A 6 2.294 8.325 1.307 1.00 0.00 N ATOM 177 C4 DG A 6 1.665 8.861 2.385 1.00 0.00 C ATOM 0 H5' DG A 6 3.172 6.696 5.955 1.00 0.00 H new ATOM 0 H5'' DG A 6 3.835 5.249 5.221 1.00 0.00 H new ATOM 0 H4' DG A 6 5.734 6.518 4.310 1.00 0.00 H new ATOM 0 H3' DG A 6 5.827 8.078 6.352 1.00 0.00 H new ATOM 0 H2' DG A 6 3.376 8.884 6.114 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.295 10.223 5.453 1.00 0.00 H new ATOM 0 H1' DG A 6 4.210 9.381 3.230 1.00 0.00 H new ATOM 0 H8 DG A 6 1.349 9.825 5.439 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.391 8.354 -0.578 1.00 0.00 H new ATOM 0 H21 DG A 6 2.974 7.427 -0.943 1.00 0.00 H new ATOM 0 H22 DG A 6 1.382 7.558 -1.698 1.00 0.00 H new ATOM 189 P DC A 7 7.782 8.554 4.233 1.00 0.00 P ATOM 190 OP1 DC A 7 7.892 7.089 4.414 1.00 0.00 O ATOM 191 OP2 DC A 7 8.790 9.451 4.840 1.00 0.00 O ATOM 192 O5' DC A 7 7.684 8.890 2.657 1.00 0.00 O ATOM 193 C5' DC A 7 7.141 7.978 1.720 1.00 0.00 C ATOM 194 C4' DC A 7 6.528 8.708 0.514 1.00 0.00 C ATOM 195 O4' DC A 7 5.235 9.172 0.893 1.00 0.00 O ATOM 196 C3' DC A 7 7.332 9.940 0.047 1.00 0.00 C ATOM 197 O3' DC A 7 7.420 9.903 -1.374 1.00 0.00 O ATOM 198 C2' DC A 7 6.418 11.062 0.554 1.00 0.00 C ATOM 199 C1' DC A 7 5.062 10.428 0.275 1.00 0.00 C ATOM 200 N1 DC A 7 3.849 11.158 0.766 1.00 0.00 N ATOM 201 C2 DC A 7 2.702 11.137 -0.043 1.00 0.00 C ATOM 202 O2 DC A 7 2.717 10.679 -1.183 1.00 0.00 O ATOM 203 N3 DC A 7 1.539 11.641 0.453 1.00 0.00 N ATOM 204 C4 DC A 7 1.487 12.218 1.658 1.00 0.00 C ATOM 205 N4 DC A 7 0.307 12.674 2.092 1.00 0.00 N ATOM 206 C5 DC A 7 2.671 12.371 2.455 1.00 0.00 C ATOM 207 C6 DC A 7 3.818 11.832 1.970 1.00 0.00 C ATOM 0 H5' DC A 7 6.378 7.368 2.204 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.922 7.299 1.377 1.00 0.00 H new ATOM 0 H4' DC A 7 6.514 7.994 -0.309 1.00 0.00 H new ATOM 0 H3' DC A 7 8.359 10.030 0.402 1.00 0.00 H new ATOM 0 H2' DC A 7 6.569 11.279 1.611 1.00 0.00 H new ATOM 0 H2'' DC A 7 6.563 11.997 0.012 1.00 0.00 H new ATOM 0 H1' DC A 7 4.833 10.413 -0.791 1.00 0.00 H new ATOM 0 H41 DC A 7 0.237 13.119 3.007 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.523 12.577 1.508 1.00 0.00 H new ATOM 0 H5 DC A 7 2.650 12.893 3.400 1.00 0.00 H new ATOM 0 H6 DC A 7 4.729 11.933 2.540 1.00 0.00 H new ATOM 219 P DG A 8 8.282 10.971 -2.240 1.00 0.00 P ATOM 220 OP1 DG A 8 9.410 10.245 -2.865 1.00 0.00 O ATOM 221 OP2 DG A 8 8.553 12.162 -1.404 1.00 0.00 O ATOM 222 O5' DG A 8 7.253 11.406 -3.413 1.00 0.00 O ATOM 223 C5' DG A 8 5.906 11.719 -3.116 1.00 0.00 C ATOM 224 C4' DG A 8 5.396 12.980 -3.771 1.00 0.00 C ATOM 225 O4' DG A 8 4.107 13.027 -3.217 1.00 0.00 O ATOM 226 C3' DG A 8 6.051 14.279 -3.317 1.00 0.00 C ATOM 227 O3' DG A 8 7.071 14.691 -4.201 1.00 0.00 O ATOM 228 C2' DG A 8 4.859 15.238 -3.363 1.00 0.00 C ATOM 229 C1' DG A 8 3.633 14.316 -3.425 1.00 0.00 C ATOM 230 N9 DG A 8 2.697 14.552 -2.307 1.00 0.00 N ATOM 231 C8 DG A 8 2.973 14.494 -0.965 1.00 0.00 C ATOM 232 N7 DG A 8 1.942 14.700 -0.198 1.00 0.00 N ATOM 233 C5 DG A 8 0.897 14.895 -1.094 1.00 0.00 C ATOM 234 C6 DG A 8 -0.486 15.138 -0.846 1.00 0.00 C ATOM 235 O6 DG A 8 -1.061 15.192 0.238 1.00 0.00 O ATOM 236 N1 DG A 8 -1.210 15.329 -2.019 1.00 0.00 N ATOM 237 C2 DG A 8 -0.675 15.250 -3.292 1.00 0.00 C ATOM 238 N2 DG A 8 -1.514 15.432 -4.318 1.00 0.00 N ATOM 239 N3 DG A 8 0.623 14.995 -3.529 1.00 0.00 N ATOM 240 C4 DG A 8 1.353 14.832 -2.391 1.00 0.00 C ATOM 0 H5' DG A 8 5.799 11.817 -2.036 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.276 10.885 -3.424 1.00 0.00 H new ATOM 0 H4' DG A 8 5.540 12.932 -4.850 1.00 0.00 H new ATOM 0 H3' DG A 8 6.545 14.212 -2.347 1.00 0.00 H new ATOM 0 H2' DG A 8 4.830 15.879 -2.482 1.00 0.00 H new ATOM 0 H2'' DG A 8 4.909 15.893 -4.233 1.00 0.00 H new ATOM 0 HO3' DG A 8 7.466 15.528 -3.878 1.00 0.00 H new ATOM 0 H1' DG A 8 3.125 14.484 -4.375 1.00 0.00 H new ATOM 0 H8 DG A 8 3.961 14.294 -0.578 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.204 15.542 -1.934 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.167 15.383 -5.276 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.501 15.620 -4.142 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -10.357 19.068 -2.076 1.00 0.00 O ATOM 255 C5' DC B 1 -10.074 17.690 -2.205 1.00 0.00 C ATOM 256 C4' DC B 1 -8.999 17.467 -3.276 1.00 0.00 C ATOM 257 O4' DC B 1 -7.809 18.093 -2.821 1.00 0.00 O ATOM 258 C3' DC B 1 -8.704 15.972 -3.463 1.00 0.00 C ATOM 259 O3' DC B 1 -8.823 15.666 -4.838 1.00 0.00 O ATOM 260 C2' DC B 1 -7.274 15.841 -2.948 1.00 0.00 C ATOM 261 C1' DC B 1 -6.709 17.242 -3.083 1.00 0.00 C ATOM 262 N1 DC B 1 -5.666 17.429 -2.040 1.00 0.00 N ATOM 263 C2 DC B 1 -4.358 17.047 -2.343 1.00 0.00 C ATOM 264 O2 DC B 1 -4.044 16.691 -3.477 1.00 0.00 O ATOM 265 N3 DC B 1 -3.426 17.075 -1.347 1.00 0.00 N ATOM 266 C4 DC B 1 -3.753 17.431 -0.097 1.00 0.00 C ATOM 267 N4 DC B 1 -2.807 17.405 0.846 1.00 0.00 N ATOM 268 C5 DC B 1 -5.105 17.769 0.251 1.00 0.00 C ATOM 269 C6 DC B 1 -6.018 17.745 -0.748 1.00 0.00 C ATOM 0 H5' DC B 1 -10.982 17.149 -2.472 1.00 0.00 H new ATOM 0 H5'' DC B 1 -9.734 17.290 -1.250 1.00 0.00 H new ATOM 0 H4' DC B 1 -9.347 17.876 -4.224 1.00 0.00 H new ATOM 0 H3' DC B 1 -9.376 15.290 -2.942 1.00 0.00 H new ATOM 0 H2' DC B 1 -7.252 15.499 -1.913 1.00 0.00 H new ATOM 0 H2'' DC B 1 -6.702 15.121 -3.534 1.00 0.00 H new ATOM 0 HO5' DC B 1 -9.566 19.589 -2.326 1.00 0.00 H new ATOM 0 H1' DC B 1 -6.261 17.438 -4.057 1.00 0.00 H new ATOM 0 H41 DC B 1 -3.034 17.672 1.804 1.00 0.00 H new ATOM 0 H42 DC B 1 -1.858 17.118 0.608 1.00 0.00 H new ATOM 0 H5 DC B 1 -5.380 18.030 1.262 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.048 17.980 -0.525 1.00 0.00 H new ATOM 282 P DG B 2 -8.676 14.162 -5.403 1.00 0.00 P ATOM 283 OP1 DG B 2 -9.192 14.144 -6.790 1.00 0.00 O ATOM 284 OP2 DG B 2 -9.227 13.220 -4.403 1.00 0.00 O ATOM 285 O5' DG B 2 -7.080 13.960 -5.462 1.00 0.00 O ATOM 286 C5' DG B 2 -6.235 14.911 -6.082 1.00 0.00 C ATOM 287 C4' DG B 2 -4.985 14.242 -6.673 1.00 0.00 C ATOM 288 O4' DG B 2 -4.091 14.019 -5.594 1.00 0.00 O ATOM 289 C3' DG B 2 -5.267 12.888 -7.329 1.00 0.00 C ATOM 290 O3' DG B 2 -4.335 12.706 -8.388 1.00 0.00 O ATOM 291 C2' DG B 2 -4.998 11.948 -6.160 1.00 0.00 C ATOM 292 C1' DG B 2 -3.806 12.637 -5.490 1.00 0.00 C ATOM 293 N9 DG B 2 -3.667 12.384 -4.031 1.00 0.00 N ATOM 294 C8 DG B 2 -4.636 12.403 -3.052 1.00 0.00 C ATOM 295 N7 DG B 2 -4.179 12.250 -1.841 1.00 0.00 N ATOM 296 C5 DG B 2 -2.806 12.124 -2.013 1.00 0.00 C ATOM 297 C6 DG B 2 -1.773 11.945 -1.042 1.00 0.00 C ATOM 298 O6 DG B 2 -1.878 11.902 0.181 1.00 0.00 O ATOM 299 N1 DG B 2 -0.517 11.812 -1.623 1.00 0.00 N ATOM 300 C2 DG B 2 -0.268 11.905 -2.978 1.00 0.00 C ATOM 301 N2 DG B 2 0.996 11.733 -3.377 1.00 0.00 N ATOM 302 N3 DG B 2 -1.232 12.131 -3.885 1.00 0.00 N ATOM 303 C4 DG B 2 -2.481 12.215 -3.346 1.00 0.00 C ATOM 0 H5' DG B 2 -5.937 15.666 -5.354 1.00 0.00 H new ATOM 0 H5'' DG B 2 -6.782 15.427 -6.871 1.00 0.00 H new ATOM 0 H4' DG B 2 -4.587 14.897 -7.448 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.255 12.752 -7.768 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.855 11.867 -5.492 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.756 10.938 -6.492 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.899 12.272 -5.971 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.686 12.534 -3.270 1.00 0.00 H new ATOM 0 H1 DG B 2 0.275 11.633 -1.006 1.00 0.00 H new ATOM 0 H21 DG B 2 1.231 11.792 -4.368 1.00 0.00 H new ATOM 0 H22 DG B 2 1.726 11.543 -2.691 1.00 0.00 H new ATOM 315 P DC B 3 -4.216 11.331 -9.238 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.621 11.659 -10.552 1.00 0.00 O ATOM 317 OP2 DC B 3 -5.515 10.625 -9.178 1.00 0.00 O ATOM 318 O5' DC B 3 -3.133 10.470 -8.398 1.00 0.00 O ATOM 319 C5' DC B 3 -1.778 10.875 -8.329 1.00 0.00 C ATOM 320 C4' DC B 3 -0.949 9.982 -7.396 1.00 0.00 C ATOM 321 O4' DC B 3 -1.436 10.233 -6.099 1.00 0.00 O ATOM 322 C3' DC B 3 -1.068 8.458 -7.598 1.00 0.00 C ATOM 323 O3' DC B 3 0.085 7.921 -8.221 1.00 0.00 O ATOM 324 C2' DC B 3 -1.252 7.938 -6.169 1.00 0.00 C ATOM 325 C1' DC B 3 -0.970 9.167 -5.318 1.00 0.00 C ATOM 326 N1 DC B 3 -1.733 9.088 -4.064 1.00 0.00 N ATOM 327 C2 DC B 3 -1.085 8.725 -2.887 1.00 0.00 C ATOM 328 O2 DC B 3 0.134 8.586 -2.844 1.00 0.00 O ATOM 329 N3 DC B 3 -1.843 8.526 -1.772 1.00 0.00 N ATOM 330 C4 DC B 3 -3.179 8.591 -1.817 1.00 0.00 C ATOM 331 N4 DC B 3 -3.856 8.511 -0.668 1.00 0.00 N ATOM 332 C5 DC B 3 -3.850 8.817 -3.064 1.00 0.00 C ATOM 333 C6 DC B 3 -3.093 9.096 -4.126 1.00 0.00 C ATOM 0 H5' DC B 3 -1.727 11.907 -7.981 1.00 0.00 H new ATOM 0 H5'' DC B 3 -1.344 10.854 -9.329 1.00 0.00 H new ATOM 0 H4' DC B 3 0.094 10.229 -7.593 1.00 0.00 H new ATOM 0 H3' DC B 3 -1.886 8.172 -8.260 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.260 7.556 -6.005 1.00 0.00 H new ATOM 0 H2'' DC B 3 -0.563 7.124 -5.944 1.00 0.00 H new ATOM 0 H1' DC B 3 0.082 9.269 -5.051 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.875 8.558 -0.672 1.00 0.00 H new ATOM 0 H42 DC B 3 -3.354 8.403 0.213 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.926 8.763 -3.140 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.573 9.335 -5.063 1.00 0.00 H new ATOM 345 P DT B 4 0.122 6.407 -8.799 1.00 0.00 P ATOM 346 OP1 DT B 4 1.046 6.400 -9.954 1.00 0.00 O ATOM 347 OP2 DT B 4 -1.268 5.929 -8.977 1.00 0.00 O ATOM 348 O5' DT B 4 0.794 5.519 -7.630 1.00 0.00 O ATOM 349 C5' DT B 4 1.173 4.178 -7.888 1.00 0.00 C ATOM 350 C4' DT B 4 1.806 3.529 -6.653 1.00 0.00 C ATOM 351 O4' DT B 4 0.812 3.388 -5.662 1.00 0.00 O ATOM 352 C3' DT B 4 2.307 2.112 -6.963 1.00 0.00 C ATOM 353 O3' DT B 4 3.723 2.127 -6.904 1.00 0.00 O ATOM 354 C2' DT B 4 1.662 1.241 -5.877 1.00 0.00 C ATOM 355 C1' DT B 4 1.175 2.279 -4.869 1.00 0.00 C ATOM 356 N1 DT B 4 -0.044 1.902 -4.100 1.00 0.00 N ATOM 357 C2 DT B 4 0.021 1.961 -2.710 1.00 0.00 C ATOM 358 O2 DT B 4 1.075 2.033 -2.082 1.00 0.00 O ATOM 359 N3 DT B 4 -1.192 1.934 -2.041 1.00 0.00 N ATOM 360 C4 DT B 4 -2.450 1.822 -2.610 1.00 0.00 C ATOM 361 O4 DT B 4 -3.452 1.851 -1.897 1.00 0.00 O ATOM 362 C5 DT B 4 -2.429 1.677 -4.054 1.00 0.00 C ATOM 363 C7 DT B 4 -3.737 1.510 -4.804 1.00 0.00 C ATOM 364 C6 DT B 4 -1.255 1.724 -4.735 1.00 0.00 C ATOM 0 H5' DT B 4 1.880 4.151 -8.718 1.00 0.00 H new ATOM 0 H5'' DT B 4 0.299 3.604 -8.195 1.00 0.00 H new ATOM 0 H4' DT B 4 2.636 4.158 -6.332 1.00 0.00 H new ATOM 0 H3' DT B 4 2.045 1.732 -7.950 1.00 0.00 H new ATOM 0 H2' DT B 4 0.841 0.642 -6.271 1.00 0.00 H new ATOM 0 H2'' DT B 4 2.378 0.549 -5.433 1.00 0.00 H new ATOM 0 H1' DT B 4 1.964 2.432 -4.133 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.155 2.004 -1.024 1.00 0.00 H new ATOM 0 H71 DT B 4 -3.640 1.933 -5.804 1.00 0.00 H new ATOM 0 H72 DT B 4 -3.980 0.450 -4.880 1.00 0.00 H new ATOM 0 H73 DT B 4 -4.533 2.027 -4.267 1.00 0.00 H new ATOM 0 H6 DT B 4 -1.270 1.618 -5.810 1.00 0.00 H new ATOM 377 P DA B 5 4.635 0.914 -7.462 1.00 0.00 P ATOM 378 OP1 DA B 5 5.975 1.460 -7.769 1.00 0.00 O ATOM 379 OP2 DA B 5 3.877 0.201 -8.514 1.00 0.00 O ATOM 380 O5' DA B 5 4.774 -0.072 -6.197 1.00 0.00 O ATOM 381 C5' DA B 5 5.559 0.268 -5.068 1.00 0.00 C ATOM 382 C4' DA B 5 5.617 -0.758 -3.933 1.00 0.00 C ATOM 383 O4' DA B 5 4.418 -0.619 -3.148 1.00 0.00 O ATOM 384 C3' DA B 5 5.705 -2.138 -4.584 1.00 0.00 C ATOM 385 O3' DA B 5 6.480 -3.075 -3.873 1.00 0.00 O ATOM 386 C2' DA B 5 4.226 -2.437 -4.457 1.00 0.00 C ATOM 387 C1' DA B 5 3.674 -1.826 -3.197 1.00 0.00 C ATOM 388 N9 DA B 5 2.202 -1.575 -3.208 1.00 0.00 N ATOM 389 C8 DA B 5 1.247 -1.812 -4.181 1.00 0.00 C ATOM 390 N7 DA B 5 0.018 -1.641 -3.790 1.00 0.00 N ATOM 391 C5 DA B 5 0.152 -1.301 -2.456 1.00 0.00 C ATOM 392 C6 DA B 5 -0.792 -1.073 -1.440 1.00 0.00 C ATOM 393 N6 DA B 5 -2.110 -1.124 -1.666 1.00 0.00 N ATOM 394 N1 DA B 5 -0.340 -0.814 -0.201 1.00 0.00 N ATOM 395 C2 DA B 5 0.973 -0.782 0.019 1.00 0.00 C ATOM 396 N3 DA B 5 1.960 -0.980 -0.848 1.00 0.00 N ATOM 397 C4 DA B 5 1.474 -1.244 -2.092 1.00 0.00 C ATOM 0 H5' DA B 5 5.179 1.205 -4.660 1.00 0.00 H new ATOM 0 H5'' DA B 5 6.577 0.457 -5.407 1.00 0.00 H new ATOM 0 H4' DA B 5 6.475 -0.614 -3.276 1.00 0.00 H new ATOM 0 H3' DA B 5 6.174 -2.177 -5.567 1.00 0.00 H new ATOM 0 H2' DA B 5 3.693 -2.044 -5.323 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.066 -3.515 -4.446 1.00 0.00 H new ATOM 0 H1' DA B 5 3.775 -2.481 -2.332 1.00 0.00 H new ATOM 0 H8 DA B 5 1.502 -2.115 -5.186 1.00 0.00 H new ATOM 0 H61 DA B 5 -2.765 -0.953 -0.903 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.459 -1.334 -2.601 1.00 0.00 H new ATOM 0 H2 DA B 5 1.275 -0.567 1.034 1.00 0.00 H new ATOM 409 P DG B 6 8.040 -3.396 -4.237 1.00 0.00 P ATOM 410 OP1 DG B 6 8.853 -2.225 -3.840 1.00 0.00 O ATOM 411 OP2 DG B 6 8.101 -3.907 -5.623 1.00 0.00 O ATOM 412 O5' DG B 6 8.375 -4.625 -3.224 1.00 0.00 O ATOM 413 C5' DG B 6 7.322 -5.105 -2.422 1.00 0.00 C ATOM 414 C4' DG B 6 7.523 -6.096 -1.283 1.00 0.00 C ATOM 415 O4' DG B 6 6.206 -6.472 -0.932 1.00 0.00 O ATOM 416 C3' DG B 6 8.265 -7.322 -1.800 1.00 0.00 C ATOM 417 O3' DG B 6 9.128 -8.078 -0.949 1.00 0.00 O ATOM 418 C2' DG B 6 7.103 -8.197 -2.262 1.00 0.00 C ATOM 419 C1' DG B 6 6.010 -7.831 -1.248 1.00 0.00 C ATOM 420 N9 DG B 6 4.599 -7.981 -1.687 1.00 0.00 N ATOM 421 C8 DG B 6 4.059 -8.309 -2.908 1.00 0.00 C ATOM 422 N7 DG B 6 2.758 -8.366 -2.928 1.00 0.00 N ATOM 423 C5 DG B 6 2.394 -8.010 -1.639 1.00 0.00 C ATOM 424 C6 DG B 6 1.100 -7.792 -1.083 1.00 0.00 C ATOM 425 O6 DG B 6 0.011 -7.901 -1.639 1.00 0.00 O ATOM 426 N1 DG B 6 1.161 -7.408 0.252 1.00 0.00 N ATOM 427 C2 DG B 6 2.328 -7.191 0.956 1.00 0.00 C ATOM 428 N2 DG B 6 2.217 -6.839 2.240 1.00 0.00 N ATOM 429 N3 DG B 6 3.544 -7.339 0.414 1.00 0.00 N ATOM 430 C4 DG B 6 3.510 -7.756 -0.879 1.00 0.00 C ATOM 0 H5' DG B 6 6.600 -5.559 -3.101 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.843 -4.228 -1.986 1.00 0.00 H new ATOM 0 H4' DG B 6 8.094 -5.680 -0.453 1.00 0.00 H new ATOM 0 H3' DG B 6 9.004 -6.981 -2.525 1.00 0.00 H new ATOM 0 H2' DG B 6 6.803 -7.971 -3.285 1.00 0.00 H new ATOM 0 H2'' DG B 6 7.352 -9.258 -2.229 1.00 0.00 H new ATOM 0 H1' DG B 6 6.121 -8.535 -0.424 1.00 0.00 H new ATOM 0 H8 DG B 6 4.665 -8.504 -3.781 1.00 0.00 H new ATOM 0 H1 DG B 6 0.279 -7.277 0.747 1.00 0.00 H new ATOM 0 H21 DG B 6 3.055 -6.669 2.797 1.00 0.00 H new ATOM 0 H22 DG B 6 1.294 -6.740 2.664 1.00 0.00 H new ATOM 442 P DC B 7 9.441 -7.799 0.619 1.00 0.00 P ATOM 443 OP1 DC B 7 9.669 -6.351 0.826 1.00 0.00 O ATOM 444 OP2 DC B 7 10.491 -8.754 1.035 1.00 0.00 O ATOM 445 O5' DC B 7 8.081 -8.236 1.367 1.00 0.00 O ATOM 446 C5' DC B 7 7.565 -7.503 2.459 1.00 0.00 C ATOM 447 C4' DC B 7 6.435 -8.279 3.146 1.00 0.00 C ATOM 448 O4' DC B 7 5.469 -8.604 2.154 1.00 0.00 O ATOM 449 C3' DC B 7 6.902 -9.601 3.786 1.00 0.00 C ATOM 450 O3' DC B 7 6.299 -9.696 5.074 1.00 0.00 O ATOM 451 C2' DC B 7 6.337 -10.619 2.790 1.00 0.00 C ATOM 452 C1' DC B 7 5.031 -9.915 2.428 1.00 0.00 C ATOM 453 N1 DC B 7 4.222 -10.472 1.298 1.00 0.00 N ATOM 454 C2 DC B 7 2.826 -10.369 1.386 1.00 0.00 C ATOM 455 O2 DC B 7 2.266 -9.973 2.406 1.00 0.00 O ATOM 456 N3 DC B 7 2.072 -10.719 0.308 1.00 0.00 N ATOM 457 C4 DC B 7 2.631 -11.210 -0.803 1.00 0.00 C ATOM 458 N4 DC B 7 1.834 -11.502 -1.835 1.00 0.00 N ATOM 459 C5 DC B 7 4.050 -11.419 -0.886 1.00 0.00 C ATOM 460 C6 DC B 7 4.796 -11.040 0.180 1.00 0.00 C ATOM 0 H5' DC B 7 7.193 -6.539 2.113 1.00 0.00 H new ATOM 0 H5'' DC B 7 8.361 -7.299 3.175 1.00 0.00 H new ATOM 0 H4' DC B 7 6.042 -7.647 3.942 1.00 0.00 H new ATOM 0 H3' DC B 7 7.973 -9.725 3.944 1.00 0.00 H new ATOM 0 H2' DC B 7 6.987 -10.767 1.927 1.00 0.00 H new ATOM 0 H2'' DC B 7 6.175 -11.599 3.239 1.00 0.00 H new ATOM 0 H1' DC B 7 4.315 -10.026 3.243 1.00 0.00 H new ATOM 0 H41 DC B 7 2.231 -11.878 -2.696 1.00 0.00 H new ATOM 0 H42 DC B 7 0.828 -11.349 -1.762 1.00 0.00 H new ATOM 0 H5 DC B 7 4.503 -11.860 -1.762 1.00 0.00 H new ATOM 0 H6 DC B 7 5.866 -11.186 0.153 1.00 0.00 H new ATOM 472 P DG B 8 6.630 -10.881 6.132 1.00 0.00 P ATOM 473 OP1 DG B 8 7.346 -10.280 7.279 1.00 0.00 O ATOM 474 OP2 DG B 8 7.237 -12.019 5.406 1.00 0.00 O ATOM 475 O5' DG B 8 5.160 -11.337 6.640 1.00 0.00 O ATOM 476 C5' DG B 8 4.099 -11.501 5.720 1.00 0.00 C ATOM 477 C4' DG B 8 3.244 -12.725 5.949 1.00 0.00 C ATOM 478 O4' DG B 8 2.423 -12.631 4.815 1.00 0.00 O ATOM 479 C3' DG B 8 3.946 -14.071 5.813 1.00 0.00 C ATOM 480 O3' DG B 8 4.300 -14.605 7.071 1.00 0.00 O ATOM 481 C2' DG B 8 2.851 -14.909 5.147 1.00 0.00 C ATOM 482 C1' DG B 8 1.841 -13.877 4.623 1.00 0.00 C ATOM 483 N9 DG B 8 1.646 -13.954 3.160 1.00 0.00 N ATOM 484 C8 DG B 8 2.610 -13.864 2.188 1.00 0.00 C ATOM 485 N7 DG B 8 2.148 -13.845 0.973 1.00 0.00 N ATOM 486 C5 DG B 8 0.772 -13.921 1.145 1.00 0.00 C ATOM 487 C6 DG B 8 -0.266 -13.901 0.171 1.00 0.00 C ATOM 488 O6 DG B 8 -0.152 -13.801 -1.047 1.00 0.00 O ATOM 489 N1 DG B 8 -1.531 -14.010 0.741 1.00 0.00 N ATOM 490 C2 DG B 8 -1.773 -14.127 2.097 1.00 0.00 C ATOM 491 N2 DG B 8 -3.052 -14.207 2.478 1.00 0.00 N ATOM 492 N3 DG B 8 -0.795 -14.124 3.020 1.00 0.00 N ATOM 493 C4 DG B 8 0.451 -14.016 2.481 1.00 0.00 C ATOM 0 H5' DG B 8 4.514 -11.549 4.713 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.462 -10.618 5.761 1.00 0.00 H new ATOM 0 H4' DG B 8 2.821 -12.719 6.954 1.00 0.00 H new ATOM 0 H3' DG B 8 4.884 -14.028 5.260 1.00 0.00 H new ATOM 0 H2' DG B 8 3.254 -15.517 4.337 1.00 0.00 H new ATOM 0 H2'' DG B 8 2.387 -15.593 5.858 1.00 0.00 H new ATOM 0 HO3' DG B 8 4.746 -15.469 6.946 1.00 0.00 H new ATOM 0 H1' DG B 8 0.894 -14.051 5.135 1.00 0.00 H new ATOM 0 H8 DG B 8 3.665 -13.813 2.413 1.00 0.00 H new ATOM 0 H1 DG B 8 -2.336 -14.003 0.114 1.00 0.00 H new ATOM 0 H21 DG B 8 -3.285 -14.295 3.467 1.00 0.00 H new ATOM 0 H22 DG B 8 -3.795 -14.180 1.779 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -4.824 -3.946 3.779 1.00 0.00 C HETATM 508 C2 TOT A 9 -6.211 -4.135 3.788 1.00 0.00 C HETATM 509 C3 TOT A 9 -6.893 -4.268 2.573 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.179 -4.240 1.363 1.00 0.00 C HETATM 511 N5 TOT A 9 -3.935 -4.064 0.227 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.407 -4.003 -1.180 1.00 0.00 C HETATM 513 C7 TOT A 9 -2.637 -4.076 0.641 1.00 0.00 C HETATM 514 C8 TOT A 9 -1.530 -4.131 -0.332 1.00 0.00 C HETATM 515 S9 TOT A 9 -2.433 -4.031 2.278 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.101 -4.012 2.567 1.00 0.00 C HETATM 517 C11 TOT A 9 -4.767 -4.119 1.340 1.00 0.00 C HETATM 518 C12 TOT A 9 2.176 -4.408 -1.183 1.00 0.00 C HETATM 519 C13 TOT A 9 3.004 -4.862 -2.242 1.00 0.00 C HETATM 520 C14 TOT A 9 2.433 -5.333 -3.424 1.00 0.00 C HETATM 521 C15 TOT A 9 1.083 -5.122 -3.679 1.00 0.00 C HETATM 522 C16 TOT A 9 0.237 -4.696 -2.645 1.00 0.00 C HETATM 523 C17 TOT A 9 0.752 -4.418 -1.350 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.105 -4.156 -0.227 1.00 0.00 C HETATM 525 C19 TOT A 9 0.517 -3.915 1.011 1.00 0.00 C HETATM 526 C20 TOT A 9 1.897 -3.812 1.109 1.00 0.00 C HETATM 527 N21 TOT A 9 2.719 -3.974 0.033 1.00 0.00 N HETATM 528 C22 TOT A 9 4.117 -3.677 0.445 1.00 0.00 C HETATM 529 C23 TOT A 9 5.154 -2.811 -0.270 1.00 0.00 C HETATM 530 C24 TOT A 9 6.405 -2.787 0.648 1.00 0.00 C HETATM 531 N25 TOT A 9 7.411 -1.708 0.400 1.00 0.00 N HETATM 532 C26 TOT A 9 6.845 -0.331 0.540 1.00 0.00 C HETATM 533 C27 TOT A 9 6.171 -0.041 1.893 1.00 0.00 C HETATM 534 C28 TOT A 9 7.987 -1.826 -0.957 1.00 0.00 C HETATM 535 C29 TOT A 9 8.532 -1.904 1.358 1.00 0.00 C HETATM 536 C31 TOT A 9 -2.409 4.767 -5.812 1.00 0.00 C HETATM 537 C32 TOT A 9 -3.520 4.969 -6.643 1.00 0.00 C HETATM 538 C33 TOT A 9 -4.751 5.321 -6.073 1.00 0.00 C HETATM 539 C34 TOT A 9 -4.872 5.423 -4.679 1.00 0.00 C HETATM 540 N35 TOT A 9 -3.732 5.278 -2.446 1.00 0.00 N HETATM 541 C36 TOT A 9 -4.944 5.302 -1.588 1.00 0.00 C HETATM 542 C37 TOT A 9 -2.441 5.262 -2.022 1.00 0.00 C HETATM 543 C38 TOT A 9 -2.117 5.414 -0.596 1.00 0.00 C HETATM 544 S39 TOT A 9 -1.319 5.067 -3.217 1.00 0.00 S HETATM 545 C40 TOT A 9 -2.510 4.996 -4.421 1.00 0.00 C HETATM 546 C41 TOT A 9 -3.750 5.263 -3.832 1.00 0.00 C HETATM 547 C42 TOT A 9 0.343 5.630 2.250 1.00 0.00 C HETATM 548 C43 TOT A 9 0.454 6.255 3.504 1.00 0.00 C HETATM 549 C44 TOT A 9 -0.683 6.591 4.232 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.942 6.316 3.691 1.00 0.00 C HETATM 551 C46 TOT A 9 -2.060 5.907 2.347 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.902 5.612 1.574 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.926 5.295 0.177 1.00 0.00 C HETATM 554 C49 TOT A 9 0.283 4.854 -0.411 1.00 0.00 C HETATM 555 C50 TOT A 9 1.443 4.691 0.357 1.00 0.00 C HETATM 556 N51 TOT A 9 1.457 5.040 1.677 1.00 0.00 N HETATM 557 C52 TOT A 9 2.711 4.759 2.406 1.00 0.00 C HETATM 558 C53 TOT A 9 3.290 3.349 2.198 1.00 0.00 C HETATM 559 C54 TOT A 9 4.460 3.177 3.168 1.00 0.00 C HETATM 560 N55 TOT A 9 5.043 1.805 3.251 1.00 0.00 N HETATM 561 C56 TOT A 9 5.630 1.400 1.937 1.00 0.00 C HETATM 562 C58 TOT A 9 4.004 0.835 3.692 1.00 0.00 C HETATM 563 C59 TOT A 9 6.097 1.869 4.299 1.00 0.00 C HETATM 0 H593 TOT A 9 6.852 2.600 4.011 1.00 0.00 H new HETATM 0 H592 TOT A 9 5.649 2.164 5.248 1.00 0.00 H new HETATM 0 H591 TOT A 9 6.563 0.890 4.407 1.00 0.00 H new HETATM 0 H583 TOT A 9 3.629 1.125 4.674 1.00 0.00 H new HETATM 0 H582 TOT A 9 3.182 0.832 2.976 1.00 0.00 H new HETATM 0 H581 TOT A 9 4.439 -0.163 3.749 1.00 0.00 H new HETATM 0 H562 TOT A 9 6.440 2.086 1.689 1.00 0.00 H new HETATM 0 H561 TOT A 9 4.870 1.512 1.164 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.251 3.870 2.879 1.00 0.00 H new HETATM 0 H541 TOT A 9 4.127 3.470 4.164 1.00 0.00 H new HETATM 0 H532 TOT A 9 2.527 2.592 2.381 1.00 0.00 H new HETATM 0 H531 TOT A 9 3.625 3.222 1.169 1.00 0.00 H new HETATM 0 H522 TOT A 9 3.460 5.490 2.102 1.00 0.00 H new HETATM 0 H521 TOT A 9 2.534 4.908 3.471 1.00 0.00 H new HETATM 0 H363 TOT A 9 -4.957 4.417 -0.952 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.931 6.196 -0.965 1.00 0.00 H new HETATM 0 H361 TOT A 9 -5.835 5.311 -2.216 1.00 0.00 H new HETATM 0 H293 TOT A 9 8.154 -1.841 2.378 1.00 0.00 H new HETATM 0 H292 TOT A 9 8.981 -2.884 1.197 1.00 0.00 H new HETATM 0 H291 TOT A 9 9.284 -1.130 1.202 1.00 0.00 H new HETATM 0 H283 TOT A 9 8.478 -2.794 -1.061 1.00 0.00 H new HETATM 0 H282 TOT A 9 7.192 -1.741 -1.698 1.00 0.00 H new HETATM 0 H281 TOT A 9 8.716 -1.031 -1.113 1.00 0.00 H new HETATM 0 H272 TOT A 9 5.355 -0.745 2.056 1.00 0.00 H new HETATM 0 H271 TOT A 9 6.888 -0.190 2.701 1.00 0.00 H new HETATM 0 H262 TOT A 9 7.646 0.392 0.387 1.00 0.00 H new HETATM 0 H261 TOT A 9 6.116 -0.171 -0.254 1.00 0.00 H new HETATM 0 H242 TOT A 9 6.066 -2.702 1.680 1.00 0.00 H new HETATM 0 H241 TOT A 9 6.910 -3.748 0.556 1.00 0.00 H new HETATM 0 H232 TOT A 9 5.397 -3.224 -1.249 1.00 0.00 H new HETATM 0 H231 TOT A 9 4.773 -1.803 -0.435 1.00 0.00 H new HETATM 0 H222 TOT A 9 4.032 -3.249 1.444 1.00 0.00 H new HETATM 0 H221 TOT A 9 4.592 -4.652 0.556 1.00 0.00 H new HETATM 0 H8 TOT A 9 -1.877 -4.159 -1.365 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.040 -3.089 -1.648 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.031 -4.867 -1.728 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.497 -4.008 -1.199 1.00 0.00 H new HETATM 0 H50 TOT A 9 2.342 4.282 -0.103 1.00 0.00 H new HETATM 0 H49 TOT A 9 0.312 4.638 -1.479 1.00 0.00 H new HETATM 0 H46 TOT A 9 -3.048 5.816 1.895 1.00 0.00 H new HETATM 0 H45 TOT A 9 -2.834 6.418 4.309 1.00 0.00 H new HETATM 0 H44 TOT A 9 -0.593 7.062 5.211 1.00 0.00 H new HETATM 0 H43 TOT A 9 1.440 6.479 3.910 1.00 0.00 H new HETATM 0 H4 TOT A 9 -6.723 -4.313 0.421 1.00 0.00 H new HETATM 0 H38 TOT A 9 -2.986 5.678 0.007 1.00 0.00 H new HETATM 0 H34 TOT A 9 -5.848 5.629 -4.240 1.00 0.00 H new HETATM 0 H33 TOT A 9 -5.613 5.515 -6.712 1.00 0.00 H new HETATM 0 H32 TOT A 9 -3.427 4.853 -7.723 1.00 0.00 H new HETATM 0 H31 TOT A 9 -1.464 4.432 -6.240 1.00 0.00 H new HETATM 0 H3 TOT A 9 -7.976 -4.393 2.565 1.00 0.00 H new HETATM 0 H20 TOT A 9 2.340 -3.594 2.081 1.00 0.00 H new HETATM 0 H2 TOT A 9 -6.754 -4.178 4.732 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.094 -3.808 1.907 1.00 0.00 H new HETATM 0 H16 TOT A 9 -0.829 -4.577 -2.837 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.683 -5.287 -4.680 1.00 0.00 H new HETATM 0 H14 TOT A 9 3.047 -5.868 -4.149 1.00 0.00 H new HETATM 0 H13 TOT A 9 4.088 -4.843 -2.132 1.00 0.00 H new HETATM 0 H1 TOT A 9 -4.299 -3.747 4.713 1.00 0.00 H new