USER MOD reduce.3.24.130724 H: found=0, std=0, add=93, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 93 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.13 (180deg=-0.434) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -0.574 -6.242 16.975 1.00 0.00 O ATOM 2 C5' DC A 1 0.203 -5.150 16.527 1.00 0.00 C ATOM 3 C4' DC A 1 -0.547 -4.345 15.459 1.00 0.00 C ATOM 4 O4' DC A 1 0.251 -3.229 15.096 1.00 0.00 O ATOM 5 C3' DC A 1 -0.833 -5.158 14.185 1.00 0.00 C ATOM 6 O3' DC A 1 -2.162 -4.902 13.755 1.00 0.00 O ATOM 7 C2' DC A 1 0.210 -4.624 13.210 1.00 0.00 C ATOM 8 C1' DC A 1 0.375 -3.185 13.689 1.00 0.00 C ATOM 9 N1 DC A 1 1.674 -2.592 13.255 1.00 0.00 N ATOM 10 C2 DC A 1 1.688 -1.748 12.137 1.00 0.00 C ATOM 11 O2 DC A 1 0.643 -1.361 11.620 1.00 0.00 O ATOM 12 N3 DC A 1 2.887 -1.349 11.621 1.00 0.00 N ATOM 13 C4 DC A 1 4.042 -1.727 12.188 1.00 0.00 C ATOM 14 N4 DC A 1 5.185 -1.309 11.639 1.00 0.00 N ATOM 15 C5 DC A 1 4.056 -2.567 13.356 1.00 0.00 C ATOM 16 C6 DC A 1 2.858 -2.979 13.842 1.00 0.00 C ATOM 0 H5' DC A 1 1.146 -5.513 16.119 1.00 0.00 H new ATOM 0 H5'' DC A 1 0.448 -4.503 17.370 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.505 -4.049 15.888 1.00 0.00 H new ATOM 0 H3' DC A 1 -0.766 -6.240 14.302 1.00 0.00 H new ATOM 0 H2' DC A 1 1.144 -5.183 13.264 1.00 0.00 H new ATOM 0 H2'' DC A 1 -0.132 -4.674 12.176 1.00 0.00 H new ATOM 0 HO5' DC A 1 -0.075 -6.742 17.654 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.383 -2.536 13.250 1.00 0.00 H new ATOM 0 H41 DC A 1 6.078 -1.582 12.050 1.00 0.00 H new ATOM 0 H42 DC A 1 5.165 -0.717 10.809 1.00 0.00 H new ATOM 0 H5 DC A 1 4.983 -2.858 13.827 1.00 0.00 H new ATOM 0 H6 DC A 1 2.833 -3.624 14.708 1.00 0.00 H new ATOM 29 P DT A 2 -2.890 -5.753 12.586 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.317 -5.884 12.961 1.00 0.00 O ATOM 31 OP2 DT A 2 -2.110 -6.979 12.308 1.00 0.00 O ATOM 32 O5' DT A 2 -2.789 -4.784 11.303 1.00 0.00 O ATOM 33 C5' DT A 2 -3.661 -4.922 10.193 1.00 0.00 C ATOM 34 C4' DT A 2 -3.445 -3.791 9.177 1.00 0.00 C ATOM 35 O4' DT A 2 -3.807 -2.552 9.770 1.00 0.00 O ATOM 36 C3' DT A 2 -1.997 -3.705 8.692 1.00 0.00 C ATOM 37 O3' DT A 2 -1.928 -3.719 7.262 1.00 0.00 O ATOM 38 C2' DT A 2 -1.452 -2.501 9.454 1.00 0.00 C ATOM 39 C1' DT A 2 -2.692 -1.682 9.811 1.00 0.00 C ATOM 40 N1 DT A 2 -2.566 -0.953 11.103 1.00 0.00 N ATOM 41 C2 DT A 2 -2.139 0.377 11.063 1.00 0.00 C ATOM 42 O2 DT A 2 -1.918 0.987 10.017 1.00 0.00 O ATOM 43 N3 DT A 2 -1.982 1.016 12.286 1.00 0.00 N ATOM 44 C4 DT A 2 -2.210 0.452 13.534 1.00 0.00 C ATOM 45 O4 DT A 2 -2.018 1.120 14.546 1.00 0.00 O ATOM 46 C5 DT A 2 -2.685 -0.923 13.491 1.00 0.00 C ATOM 47 C7 DT A 2 -3.031 -1.630 14.788 1.00 0.00 C ATOM 48 C6 DT A 2 -2.839 -1.570 12.306 1.00 0.00 C ATOM 0 H5' DT A 2 -4.696 -4.914 10.536 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.492 -5.885 9.711 1.00 0.00 H new ATOM 0 H4' DT A 2 -4.071 -4.009 8.312 1.00 0.00 H new ATOM 0 H3' DT A 2 -1.357 -4.560 8.908 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.909 -2.809 10.347 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.758 -1.925 8.842 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.822 -0.884 9.080 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.671 1.987 12.266 1.00 0.00 H new ATOM 0 H71 DT A 2 -2.411 -1.237 15.593 1.00 0.00 H new ATOM 0 H72 DT A 2 -4.082 -1.463 15.024 1.00 0.00 H new ATOM 0 H73 DT A 2 -2.849 -2.699 14.679 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.184 -2.593 12.306 1.00 0.00 H new ATOM 61 P DT A 3 -2.320 -2.533 6.207 1.00 0.00 P ATOM 62 OP1 DT A 3 -2.618 -1.245 6.864 1.00 0.00 O ATOM 63 OP2 DT A 3 -3.277 -3.090 5.227 1.00 0.00 O ATOM 64 O5' DT A 3 -0.915 -2.365 5.452 1.00 0.00 O ATOM 65 C5' DT A 3 0.246 -2.015 6.173 1.00 0.00 C ATOM 66 C4' DT A 3 1.429 -1.868 5.227 1.00 0.00 C ATOM 67 O4' DT A 3 2.606 -1.678 5.991 1.00 0.00 O ATOM 68 C3' DT A 3 1.668 -3.079 4.321 1.00 0.00 C ATOM 69 O3' DT A 3 2.191 -2.672 3.064 1.00 0.00 O ATOM 70 C2' DT A 3 2.670 -3.903 5.113 1.00 0.00 C ATOM 71 C1' DT A 3 3.426 -2.829 5.903 1.00 0.00 C ATOM 72 N1 DT A 3 3.865 -3.269 7.260 1.00 0.00 N ATOM 73 C2 DT A 3 5.234 -3.213 7.557 1.00 0.00 C ATOM 74 O2 DT A 3 6.079 -2.766 6.782 1.00 0.00 O ATOM 75 N3 DT A 3 5.624 -3.711 8.794 1.00 0.00 N ATOM 76 C4 DT A 3 4.781 -4.259 9.753 1.00 0.00 C ATOM 77 O4 DT A 3 5.250 -4.674 10.811 1.00 0.00 O ATOM 78 C5 DT A 3 3.375 -4.279 9.375 1.00 0.00 C ATOM 79 C7 DT A 3 2.351 -4.855 10.333 1.00 0.00 C ATOM 80 C6 DT A 3 2.968 -3.789 8.175 1.00 0.00 C ATOM 0 H5' DT A 3 0.462 -2.778 6.921 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.082 -1.080 6.709 1.00 0.00 H new ATOM 0 H4' DT A 3 1.192 -1.019 4.585 1.00 0.00 H new ATOM 0 H3' DT A 3 0.762 -3.636 4.084 1.00 0.00 H new ATOM 0 H2' DT A 3 2.178 -4.620 5.770 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.334 -4.471 4.462 1.00 0.00 H new ATOM 0 H1' DT A 3 4.348 -2.613 5.363 1.00 0.00 H new ATOM 0 H3 DT A 3 6.618 -3.671 9.018 1.00 0.00 H new ATOM 0 H71 DT A 3 1.395 -4.352 10.190 1.00 0.00 H new ATOM 0 H72 DT A 3 2.232 -5.921 10.141 1.00 0.00 H new ATOM 0 H73 DT A 3 2.689 -4.707 11.359 1.00 0.00 H new ATOM 0 H6 DT A 3 1.916 -3.806 7.929 1.00 0.00 H new ATOM 93 P DG A 4 1.221 -2.303 1.815 1.00 0.00 P ATOM 94 OP1 DG A 4 0.135 -3.307 1.762 1.00 0.00 O ATOM 95 OP2 DG A 4 2.089 -2.107 0.633 1.00 0.00 O ATOM 96 O5' DG A 4 0.557 -0.879 2.209 1.00 0.00 O ATOM 97 C5' DG A 4 1.142 0.359 1.840 1.00 0.00 C ATOM 98 C4' DG A 4 0.640 1.469 2.775 1.00 0.00 C ATOM 99 O4' DG A 4 1.159 1.236 4.073 1.00 0.00 O ATOM 100 C3' DG A 4 1.123 2.862 2.358 1.00 0.00 C ATOM 101 O3' DG A 4 0.129 3.815 2.716 1.00 0.00 O ATOM 102 C2' DG A 4 2.397 3.009 3.183 1.00 0.00 C ATOM 103 C1' DG A 4 1.960 2.326 4.477 1.00 0.00 C ATOM 104 N9 DG A 4 3.067 1.892 5.368 1.00 0.00 N ATOM 105 C8 DG A 4 4.422 1.842 5.141 1.00 0.00 C ATOM 106 N7 DG A 4 5.112 1.324 6.120 1.00 0.00 N ATOM 107 C5 DG A 4 4.153 1.004 7.077 1.00 0.00 C ATOM 108 C6 DG A 4 4.293 0.377 8.360 1.00 0.00 C ATOM 109 O6 DG A 4 5.314 -0.020 8.918 1.00 0.00 O ATOM 110 N1 DG A 4 3.072 0.215 9.008 1.00 0.00 N ATOM 111 C2 DG A 4 1.860 0.620 8.485 1.00 0.00 C ATOM 112 N2 DG A 4 0.785 0.367 9.222 1.00 0.00 N ATOM 113 N3 DG A 4 1.720 1.222 7.294 1.00 0.00 N ATOM 114 C4 DG A 4 2.903 1.377 6.632 1.00 0.00 C ATOM 0 H5' DG A 4 0.889 0.598 0.807 1.00 0.00 H new ATOM 0 H5'' DG A 4 2.228 0.289 1.894 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.449 1.445 2.737 1.00 0.00 H new ATOM 0 H3' DG A 4 1.302 3.005 1.292 1.00 0.00 H new ATOM 0 H2' DG A 4 3.252 2.516 2.720 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.675 4.052 3.336 1.00 0.00 H new ATOM 0 H1' DG A 4 1.421 3.043 5.097 1.00 0.00 H new ATOM 0 H8 DG A 4 4.877 2.201 4.230 1.00 0.00 H new ATOM 0 H1 DG A 4 3.073 -0.230 9.926 1.00 0.00 H new ATOM 0 H21 DG A 4 -0.139 0.643 8.888 1.00 0.00 H new ATOM 0 H22 DG A 4 0.883 -0.103 10.122 1.00 0.00 H new ATOM 126 P DC A 5 0.177 5.359 2.231 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.208 5.882 2.298 1.00 0.00 O ATOM 128 OP2 DC A 5 0.917 5.426 0.952 1.00 0.00 O ATOM 129 O5' DC A 5 1.066 6.103 3.366 1.00 0.00 O ATOM 130 C5' DC A 5 0.495 6.729 4.504 1.00 0.00 C ATOM 131 C4' DC A 5 0.099 5.709 5.577 1.00 0.00 C ATOM 132 O4' DC A 5 1.244 5.016 6.046 1.00 0.00 O ATOM 133 C3' DC A 5 -0.490 6.404 6.814 1.00 0.00 C ATOM 134 O3' DC A 5 -1.512 5.635 7.426 1.00 0.00 O ATOM 135 C2' DC A 5 0.667 6.378 7.804 1.00 0.00 C ATOM 136 C1' DC A 5 1.177 4.987 7.458 1.00 0.00 C ATOM 137 N1 DC A 5 2.453 4.659 8.142 1.00 0.00 N ATOM 138 C2 DC A 5 2.377 4.080 9.415 1.00 0.00 C ATOM 139 O2 DC A 5 1.294 3.895 9.967 1.00 0.00 O ATOM 140 N3 DC A 5 3.531 3.709 10.038 1.00 0.00 N ATOM 141 C4 DC A 5 4.720 3.883 9.451 1.00 0.00 C ATOM 142 N4 DC A 5 5.810 3.483 10.110 1.00 0.00 N ATOM 143 C5 DC A 5 4.827 4.476 8.144 1.00 0.00 C ATOM 144 C6 DC A 5 3.672 4.846 7.532 1.00 0.00 C ATOM 0 H5' DC A 5 -0.384 7.299 4.202 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.207 7.440 4.923 1.00 0.00 H new ATOM 0 H4' DC A 5 -0.626 5.040 5.114 1.00 0.00 H new ATOM 0 H3' DC A 5 -0.897 7.379 6.547 1.00 0.00 H new ATOM 0 H2' DC A 5 1.403 7.162 7.625 1.00 0.00 H new ATOM 0 H2'' DC A 5 0.347 6.472 8.842 1.00 0.00 H new ATOM 0 H1' DC A 5 0.532 4.181 7.808 1.00 0.00 H new ATOM 0 H41 DC A 5 6.732 3.601 9.690 1.00 0.00 H new ATOM 0 H42 DC A 5 5.721 3.059 11.033 1.00 0.00 H new ATOM 0 H5 DC A 5 5.786 4.621 7.669 1.00 0.00 H new ATOM 0 H6 DC A 5 3.711 5.294 6.550 1.00 0.00 H new ATOM 156 P DA A 6 -2.951 5.336 6.788 1.00 0.00 P ATOM 157 OP1 DA A 6 -2.935 3.970 6.211 1.00 0.00 O ATOM 158 OP2 DA A 6 -3.382 6.487 5.963 1.00 0.00 O ATOM 159 O5' DA A 6 -3.789 5.311 8.164 1.00 0.00 O ATOM 160 C5' DA A 6 -3.891 6.459 8.993 1.00 0.00 C ATOM 161 C4' DA A 6 -3.620 6.158 10.478 1.00 0.00 C ATOM 162 O4' DA A 6 -4.539 5.183 10.952 1.00 0.00 O ATOM 163 C3' DA A 6 -2.196 5.642 10.726 1.00 0.00 C ATOM 164 O3' DA A 6 -1.559 6.376 11.775 1.00 0.00 O ATOM 165 C2' DA A 6 -2.392 4.135 10.872 1.00 0.00 C ATOM 166 C1' DA A 6 -3.851 4.000 11.316 1.00 0.00 C ATOM 167 N9 DA A 6 -4.538 2.805 10.769 1.00 0.00 N ATOM 168 C8 DA A 6 -4.626 2.369 9.469 1.00 0.00 C ATOM 169 N7 DA A 6 -5.199 1.206 9.326 1.00 0.00 N ATOM 170 C5 DA A 6 -5.524 0.837 10.629 1.00 0.00 C ATOM 171 C6 DA A 6 -6.141 -0.307 11.194 1.00 0.00 C ATOM 172 N6 DA A 6 -6.582 -1.340 10.470 1.00 0.00 N ATOM 173 N1 DA A 6 -6.288 -0.372 12.532 1.00 0.00 N ATOM 174 C2 DA A 6 -5.856 0.646 13.274 1.00 0.00 C ATOM 175 N3 DA A 6 -5.267 1.773 12.874 1.00 0.00 N ATOM 176 C4 DA A 6 -5.130 1.812 11.516 1.00 0.00 C ATOM 0 H5' DA A 6 -4.889 6.886 8.891 1.00 0.00 H new ATOM 0 H5'' DA A 6 -3.185 7.214 8.647 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.740 7.100 11.013 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.469 5.806 9.931 1.00 0.00 H new ATOM 0 H2' DA A 6 -2.210 3.615 9.932 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.709 3.712 11.608 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.856 3.861 12.397 1.00 0.00 H new ATOM 0 H8 DA A 6 -4.251 2.942 8.634 1.00 0.00 H new ATOM 0 H61 DA A 6 -7.019 -2.137 10.932 1.00 0.00 H new ATOM 0 H62 DA A 6 -6.482 -1.331 9.455 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.002 0.545 14.339 1.00 0.00 H new ATOM 188 P DT A 7 -1.548 6.041 13.367 1.00 0.00 P ATOM 189 OP1 DT A 7 -2.865 5.527 13.791 1.00 0.00 O ATOM 190 OP2 DT A 7 -1.008 7.234 14.054 1.00 0.00 O ATOM 191 O5' DT A 7 -0.478 4.843 13.548 1.00 0.00 O ATOM 192 C5' DT A 7 0.897 5.009 13.258 1.00 0.00 C ATOM 193 C4' DT A 7 1.747 4.685 14.493 1.00 0.00 C ATOM 194 O4' DT A 7 3.092 4.469 14.110 1.00 0.00 O ATOM 195 C3' DT A 7 1.759 5.827 15.512 1.00 0.00 C ATOM 196 O3' DT A 7 1.824 5.370 16.853 1.00 0.00 O ATOM 197 C2' DT A 7 2.998 6.630 15.133 1.00 0.00 C ATOM 198 C1' DT A 7 3.887 5.598 14.421 1.00 0.00 C ATOM 199 N1 DT A 7 4.575 6.079 13.183 1.00 0.00 N ATOM 200 C2 DT A 7 5.940 5.801 13.031 1.00 0.00 C ATOM 201 O2 DT A 7 6.608 5.201 13.871 1.00 0.00 O ATOM 202 N3 DT A 7 6.538 6.245 11.856 1.00 0.00 N ATOM 203 C4 DT A 7 5.903 6.919 10.820 1.00 0.00 C ATOM 204 O4 DT A 7 6.540 7.243 9.821 1.00 0.00 O ATOM 205 C5 DT A 7 4.488 7.174 11.051 1.00 0.00 C ATOM 206 C7 DT A 7 3.670 7.902 9.998 1.00 0.00 C ATOM 207 C6 DT A 7 3.888 6.759 12.196 1.00 0.00 C ATOM 0 H5' DT A 7 1.086 6.033 12.937 1.00 0.00 H new ATOM 0 H5'' DT A 7 1.182 4.358 12.432 1.00 0.00 H new ATOM 0 H4' DT A 7 1.302 3.799 14.945 1.00 0.00 H new ATOM 0 H3' DT A 7 0.840 6.412 15.478 1.00 0.00 H new ATOM 0 H2' DT A 7 2.750 7.466 14.479 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.491 7.047 16.011 1.00 0.00 H new ATOM 0 H1' DT A 7 4.695 5.366 15.115 1.00 0.00 H new ATOM 0 H3 DT A 7 7.535 6.059 11.745 1.00 0.00 H new ATOM 0 H71 DT A 7 2.635 7.562 10.042 1.00 0.00 H new ATOM 0 H72 DT A 7 3.708 8.975 10.186 1.00 0.00 H new ATOM 0 H73 DT A 7 4.079 7.692 9.010 1.00 0.00 H new ATOM 0 H6 DT A 7 2.838 6.968 12.340 1.00 0.00 H new ATOM 220 P DG A 8 0.507 4.857 17.651 1.00 0.00 P ATOM 221 OP1 DG A 8 -0.702 5.330 16.939 1.00 0.00 O ATOM 222 OP2 DG A 8 0.679 5.181 19.083 1.00 0.00 O ATOM 223 O5' DG A 8 0.550 3.252 17.482 1.00 0.00 O ATOM 224 C5' DG A 8 1.507 2.451 18.153 1.00 0.00 C ATOM 225 C4' DG A 8 0.985 1.012 18.232 1.00 0.00 C ATOM 226 O4' DG A 8 0.752 0.478 16.937 1.00 0.00 O ATOM 227 C3' DG A 8 1.961 0.066 18.948 1.00 0.00 C ATOM 228 O3' DG A 8 1.498 -0.304 20.232 1.00 0.00 O ATOM 229 C2' DG A 8 2.001 -1.148 18.023 1.00 0.00 C ATOM 230 C1' DG A 8 1.713 -0.524 16.658 1.00 0.00 C ATOM 231 N9 DG A 8 2.901 0.066 15.979 1.00 0.00 N ATOM 232 C8 DG A 8 4.219 0.132 16.373 1.00 0.00 C ATOM 233 N7 DG A 8 5.006 0.710 15.508 1.00 0.00 N ATOM 234 C5 DG A 8 4.159 1.076 14.468 1.00 0.00 C ATOM 235 C6 DG A 8 4.438 1.742 13.227 1.00 0.00 C ATOM 236 O6 DG A 8 5.515 2.149 12.796 1.00 0.00 O ATOM 237 N1 DG A 8 3.295 1.919 12.452 1.00 0.00 N ATOM 238 C2 DG A 8 2.029 1.524 12.834 1.00 0.00 C ATOM 239 N2 DG A 8 1.037 1.765 11.982 1.00 0.00 N ATOM 240 N3 DG A 8 1.760 0.898 13.989 1.00 0.00 N ATOM 241 C4 DG A 8 2.866 0.699 14.760 1.00 0.00 C ATOM 0 H5' DG A 8 1.689 2.841 19.154 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.459 2.478 17.623 1.00 0.00 H new ATOM 0 H4' DG A 8 0.057 1.073 18.801 1.00 0.00 H new ATOM 0 H3' DG A 8 2.935 0.525 19.119 1.00 0.00 H new ATOM 0 H2' DG A 8 2.970 -1.646 18.047 1.00 0.00 H new ATOM 0 H2'' DG A 8 1.253 -1.893 18.296 1.00 0.00 H new ATOM 0 HO3' DG A 8 2.146 -0.907 20.652 1.00 0.00 H new ATOM 0 H1' DG A 8 1.375 -1.289 15.959 1.00 0.00 H new ATOM 0 H8 DG A 8 4.570 -0.261 17.316 1.00 0.00 H new ATOM 0 H1 DG A 8 3.400 2.370 11.543 1.00 0.00 H new ATOM 0 H21 DG A 8 0.083 1.492 12.219 1.00 0.00 H new ATOM 0 H22 DG A 8 1.230 2.223 11.091 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 -1.967 -3.257 3.085 1.00 0.00 NA HETATM 256 NA NA A 102 -1.176 3.268 15.488 1.00 0.00 NA HETATM 257 NA NA A 103 -4.100 -8.466 13.044 1.00 0.00 NA HETATM 258 NA NA A 104 -2.459 6.955 16.128 1.00 0.00 NA HETATM 259 NA NA A 105 -2.681 1.348 7.050 1.00 0.00 NA HETATM 260 NA NA A 106 4.385 -2.557 1.510 1.00 0.00 NA HETATM 261 NA NA A 107 -3.206 5.388 3.683 1.00 0.00 NA