USER MOD reduce.3.24.130724 H: found=0, std=0, add=93, rem=0, adj=2 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 150:sc=-0.00367 (180deg=-0.00367) 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 -0.621 -5.524 17.799 1.00 0.00 O ATOM 2 C5' DC A 1 0.136 -4.549 17.109 1.00 0.00 C ATOM 3 C4' DC A 1 -0.697 -3.889 16.003 1.00 0.00 C ATOM 4 O4' DC A 1 0.075 -2.854 15.409 1.00 0.00 O ATOM 5 C3' DC A 1 -1.092 -4.872 14.888 1.00 0.00 C ATOM 6 O3' DC A 1 -2.394 -4.531 14.434 1.00 0.00 O ATOM 7 C2' DC A 1 -0.008 -4.610 13.845 1.00 0.00 C ATOM 8 C1' DC A 1 0.197 -3.108 14.021 1.00 0.00 C ATOM 9 N1 DC A 1 1.495 -2.606 13.487 1.00 0.00 N ATOM 10 C2 DC A 1 1.490 -1.765 12.364 1.00 0.00 C ATOM 11 O2 DC A 1 0.439 -1.375 11.863 1.00 0.00 O ATOM 12 N3 DC A 1 2.681 -1.373 11.825 1.00 0.00 N ATOM 13 C4 DC A 1 3.844 -1.768 12.360 1.00 0.00 C ATOM 14 N4 DC A 1 4.979 -1.342 11.799 1.00 0.00 N ATOM 15 C5 DC A 1 3.879 -2.626 13.514 1.00 0.00 C ATOM 16 C6 DC A 1 2.689 -3.022 14.031 1.00 0.00 C ATOM 0 H5' DC A 1 1.022 -5.012 16.675 1.00 0.00 H new ATOM 0 H5'' DC A 1 0.483 -3.790 17.810 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.609 -3.514 16.467 1.00 0.00 H new ATOM 0 H3' DC A 1 -1.142 -5.925 15.166 1.00 0.00 H new ATOM 0 H2' DC A 1 0.901 -5.178 14.042 1.00 0.00 H new ATOM 0 H2'' DC A 1 -0.333 -4.868 12.837 1.00 0.00 H new ATOM 0 HO5' DC A 1 -0.069 -5.932 18.498 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.551 -2.570 13.439 1.00 0.00 H new ATOM 0 H41 DC A 1 5.878 -1.628 12.187 1.00 0.00 H new ATOM 0 H42 DC A 1 4.946 -0.731 10.983 1.00 0.00 H new ATOM 0 H5 DC A 1 4.815 -2.942 13.951 1.00 0.00 H new ATOM 0 H6 DC A 1 2.678 -3.678 14.889 1.00 0.00 H new ATOM 29 P DT A 2 -3.321 -5.533 13.564 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.702 -4.999 13.594 1.00 0.00 O ATOM 31 OP2 DT A 2 -3.058 -6.929 13.978 1.00 0.00 O ATOM 32 O5' DT A 2 -2.758 -5.319 12.076 1.00 0.00 O ATOM 33 C5' DT A 2 -3.379 -5.894 10.940 1.00 0.00 C ATOM 34 C4' DT A 2 -2.980 -5.095 9.694 1.00 0.00 C ATOM 35 O4' DT A 2 -3.497 -3.775 9.818 1.00 0.00 O ATOM 36 C3' DT A 2 -1.455 -5.031 9.517 1.00 0.00 C ATOM 37 O3' DT A 2 -1.072 -5.575 8.252 1.00 0.00 O ATOM 38 C2' DT A 2 -1.133 -3.568 9.818 1.00 0.00 C ATOM 39 C1' DT A 2 -2.459 -2.835 9.620 1.00 0.00 C ATOM 40 N1 DT A 2 -2.567 -1.672 10.543 1.00 0.00 N ATOM 41 C2 DT A 2 -2.233 -0.412 10.041 1.00 0.00 C ATOM 42 O2 DT A 2 -2.067 -0.179 8.845 1.00 0.00 O ATOM 43 N3 DT A 2 -2.073 0.601 10.975 1.00 0.00 N ATOM 44 C4 DT A 2 -2.270 0.489 12.346 1.00 0.00 C ATOM 45 O4 DT A 2 -2.105 1.470 13.069 1.00 0.00 O ATOM 46 C5 DT A 2 -2.675 -0.836 12.784 1.00 0.00 C ATOM 47 C7 DT A 2 -2.957 -1.078 14.255 1.00 0.00 C ATOM 48 C6 DT A 2 -2.795 -1.854 11.892 1.00 0.00 C ATOM 0 H5' DT A 2 -4.462 -5.888 11.060 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.076 -6.935 10.832 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.392 -5.595 8.818 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.858 -5.653 10.183 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.760 -3.445 10.835 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.364 -3.185 9.147 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.528 -2.424 8.613 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.784 1.513 10.623 1.00 0.00 H new ATOM 0 H71 DT A 2 -3.709 -1.861 14.357 1.00 0.00 H new ATOM 0 H72 DT A 2 -2.040 -1.388 14.755 1.00 0.00 H new ATOM 0 H73 DT A 2 -3.326 -0.159 14.711 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.077 -2.834 12.249 1.00 0.00 H new ATOM 61 P DT A 3 -1.054 -4.800 6.827 1.00 0.00 P ATOM 62 OP1 DT A 3 -2.252 -3.939 6.713 1.00 0.00 O ATOM 63 OP2 DT A 3 -0.805 -5.806 5.772 1.00 0.00 O ATOM 64 O5' DT A 3 0.283 -3.898 6.936 1.00 0.00 O ATOM 65 C5' DT A 3 0.320 -2.496 6.730 1.00 0.00 C ATOM 66 C4' DT A 3 1.233 -2.115 5.546 1.00 0.00 C ATOM 67 O4' DT A 3 2.509 -1.744 6.038 1.00 0.00 O ATOM 68 C3' DT A 3 1.494 -3.224 4.513 1.00 0.00 C ATOM 69 O3' DT A 3 1.736 -2.717 3.208 1.00 0.00 O ATOM 70 C2' DT A 3 2.748 -3.911 5.050 1.00 0.00 C ATOM 71 C1' DT A 3 3.443 -2.792 5.839 1.00 0.00 C ATOM 72 N1 DT A 3 4.057 -3.190 7.146 1.00 0.00 N ATOM 73 C2 DT A 3 5.359 -2.749 7.423 1.00 0.00 C ATOM 74 O2 DT A 3 6.025 -2.071 6.644 1.00 0.00 O ATOM 75 N3 DT A 3 5.894 -3.117 8.653 1.00 0.00 N ATOM 76 C4 DT A 3 5.257 -3.878 9.627 1.00 0.00 C ATOM 77 O4 DT A 3 5.841 -4.145 10.675 1.00 0.00 O ATOM 78 C5 DT A 3 3.907 -4.291 9.273 1.00 0.00 C ATOM 79 C7 DT A 3 3.088 -5.114 10.253 1.00 0.00 C ATOM 80 C6 DT A 3 3.369 -3.950 8.073 1.00 0.00 C ATOM 0 H5' DT A 3 0.675 -2.005 7.636 1.00 0.00 H new ATOM 0 H5'' DT A 3 -0.689 -2.129 6.543 1.00 0.00 H new ATOM 0 H4' DT A 3 0.690 -1.314 5.044 1.00 0.00 H new ATOM 0 H3' DT A 3 0.632 -3.883 4.403 1.00 0.00 H new ATOM 0 H2' DT A 3 2.502 -4.761 5.687 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.378 -4.288 4.244 1.00 0.00 H new ATOM 0 H1' DT A 3 4.294 -2.482 5.233 1.00 0.00 H new ATOM 0 H3 DT A 3 6.841 -2.799 8.860 1.00 0.00 H new ATOM 0 H71 DT A 3 2.029 -4.894 10.117 1.00 0.00 H new ATOM 0 H72 DT A 3 3.265 -6.175 10.074 1.00 0.00 H new ATOM 0 H73 DT A 3 3.382 -4.864 11.272 1.00 0.00 H new ATOM 0 H6 DT A 3 2.370 -4.284 7.835 1.00 0.00 H new ATOM 93 P DG A 4 0.537 -2.405 2.164 1.00 0.00 P ATOM 94 OP1 DG A 4 -0.590 -3.328 2.428 1.00 0.00 O ATOM 95 OP2 DG A 4 1.111 -2.337 0.802 1.00 0.00 O ATOM 96 O5' DG A 4 0.056 -0.922 2.573 1.00 0.00 O ATOM 97 C5' DG A 4 0.755 0.233 2.147 1.00 0.00 C ATOM 98 C4' DG A 4 0.457 1.382 3.112 1.00 0.00 C ATOM 99 O4' DG A 4 1.107 1.116 4.344 1.00 0.00 O ATOM 100 C3' DG A 4 0.994 2.721 2.594 1.00 0.00 C ATOM 101 O3' DG A 4 0.037 3.726 2.899 1.00 0.00 O ATOM 102 C2' DG A 4 2.287 2.883 3.387 1.00 0.00 C ATOM 103 C1' DG A 4 1.891 2.232 4.711 1.00 0.00 C ATOM 104 N9 DG A 4 3.024 1.808 5.572 1.00 0.00 N ATOM 105 C8 DG A 4 4.377 1.783 5.326 1.00 0.00 C ATOM 106 N7 DG A 4 5.091 1.297 6.305 1.00 0.00 N ATOM 107 C5 DG A 4 4.151 0.958 7.275 1.00 0.00 C ATOM 108 C6 DG A 4 4.317 0.366 8.572 1.00 0.00 C ATOM 109 O6 DG A 4 5.353 0.037 9.146 1.00 0.00 O ATOM 110 N1 DG A 4 3.101 0.160 9.221 1.00 0.00 N ATOM 111 C2 DG A 4 1.876 0.502 8.690 1.00 0.00 C ATOM 112 N2 DG A 4 0.806 0.212 9.421 1.00 0.00 N ATOM 113 N3 DG A 4 1.713 1.081 7.493 1.00 0.00 N ATOM 114 C4 DG A 4 2.887 1.277 6.831 1.00 0.00 C ATOM 0 H5' DG A 4 0.453 0.504 1.135 1.00 0.00 H new ATOM 0 H5'' DG A 4 1.826 0.035 2.118 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.625 1.452 3.220 1.00 0.00 H new ATOM 0 H3' DG A 4 1.170 2.781 1.520 1.00 0.00 H new ATOM 0 H2' DG A 4 3.129 2.378 2.913 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.570 3.929 3.508 1.00 0.00 H new ATOM 0 H1' DG A 4 1.366 2.963 5.326 1.00 0.00 H new ATOM 0 H8 DG A 4 4.812 2.135 4.402 1.00 0.00 H new ATOM 0 H1 DG A 4 3.119 -0.270 10.146 1.00 0.00 H new ATOM 0 H21 DG A 4 -0.125 0.443 9.076 1.00 0.00 H new ATOM 0 H22 DG A 4 0.916 -0.242 10.328 1.00 0.00 H new ATOM 126 P DC A 5 -0.061 5.122 2.088 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.401 5.694 2.355 1.00 0.00 O ATOM 128 OP2 DC A 5 0.370 4.893 0.691 1.00 0.00 O ATOM 129 O5' DC A 5 1.048 6.051 2.818 1.00 0.00 O ATOM 130 C5' DC A 5 0.730 6.887 3.919 1.00 0.00 C ATOM 131 C4' DC A 5 0.390 6.071 5.172 1.00 0.00 C ATOM 132 O4' DC A 5 1.509 5.344 5.630 1.00 0.00 O ATOM 133 C3' DC A 5 -0.056 6.964 6.335 1.00 0.00 C ATOM 134 O3' DC A 5 -1.431 6.730 6.590 1.00 0.00 O ATOM 135 C2' DC A 5 0.828 6.503 7.493 1.00 0.00 C ATOM 136 C1' DC A 5 1.324 5.143 7.014 1.00 0.00 C ATOM 137 N1 DC A 5 2.564 4.725 7.723 1.00 0.00 N ATOM 138 C2 DC A 5 2.437 4.108 8.976 1.00 0.00 C ATOM 139 O2 DC A 5 1.337 3.971 9.510 1.00 0.00 O ATOM 140 N3 DC A 5 3.562 3.652 9.598 1.00 0.00 N ATOM 141 C4 DC A 5 4.771 3.796 9.040 1.00 0.00 C ATOM 142 N4 DC A 5 5.834 3.309 9.681 1.00 0.00 N ATOM 143 C5 DC A 5 4.929 4.449 7.770 1.00 0.00 C ATOM 144 C6 DC A 5 3.806 4.887 7.150 1.00 0.00 C ATOM 0 H5' DC A 5 -0.115 7.524 3.660 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.572 7.545 4.131 1.00 0.00 H new ATOM 0 H4' DC A 5 -0.418 5.402 4.875 1.00 0.00 H new ATOM 0 H3' DC A 5 0.046 8.034 6.153 1.00 0.00 H new ATOM 0 H2' DC A 5 1.652 7.194 7.674 1.00 0.00 H new ATOM 0 H2'' DC A 5 0.267 6.425 8.424 1.00 0.00 H new ATOM 0 H1' DC A 5 0.632 4.327 7.220 1.00 0.00 H new ATOM 0 H41 DC A 5 6.764 3.408 9.274 1.00 0.00 H new ATOM 0 H42 DC A 5 5.717 2.838 10.578 1.00 0.00 H new ATOM 0 H5 DC A 5 5.904 4.586 7.327 1.00 0.00 H new ATOM 0 H6 DC A 5 3.887 5.372 6.189 1.00 0.00 H new ATOM 156 P DA A 6 -2.402 7.848 7.244 1.00 0.00 P ATOM 157 OP1 DA A 6 -3.657 7.848 6.459 1.00 0.00 O ATOM 158 OP2 DA A 6 -1.647 9.107 7.422 1.00 0.00 O ATOM 159 O5' DA A 6 -2.698 7.266 8.717 1.00 0.00 O ATOM 160 C5' DA A 6 -3.649 6.243 8.941 1.00 0.00 C ATOM 161 C4' DA A 6 -3.669 5.875 10.430 1.00 0.00 C ATOM 162 O4' DA A 6 -4.615 4.835 10.635 1.00 0.00 O ATOM 163 C3' DA A 6 -2.319 5.335 10.916 1.00 0.00 C ATOM 164 O3' DA A 6 -2.201 5.505 12.320 1.00 0.00 O ATOM 165 C2' DA A 6 -2.449 3.861 10.583 1.00 0.00 C ATOM 166 C1' DA A 6 -3.928 3.623 10.904 1.00 0.00 C ATOM 167 N9 DA A 6 -4.534 2.494 10.157 1.00 0.00 N ATOM 168 C8 DA A 6 -4.468 2.213 8.814 1.00 0.00 C ATOM 169 N7 DA A 6 -5.021 1.083 8.472 1.00 0.00 N ATOM 170 C5 DA A 6 -5.469 0.554 9.679 1.00 0.00 C ATOM 171 C6 DA A 6 -6.107 -0.660 10.029 1.00 0.00 C ATOM 172 N6 DA A 6 -6.434 -1.602 9.138 1.00 0.00 N ATOM 173 N1 DA A 6 -6.390 -0.895 11.327 1.00 0.00 N ATOM 174 C2 DA A 6 -6.073 0.035 12.228 1.00 0.00 C ATOM 175 N3 DA A 6 -5.477 1.211 12.031 1.00 0.00 N ATOM 176 C4 DA A 6 -5.192 1.418 10.713 1.00 0.00 C ATOM 0 H5' DA A 6 -3.402 5.366 8.343 1.00 0.00 H new ATOM 0 H5'' DA A 6 -4.638 6.576 8.625 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.914 6.784 10.979 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.453 5.825 10.472 1.00 0.00 H new ATOM 0 H2' DA A 6 -2.214 3.651 9.540 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.789 3.241 11.190 1.00 0.00 H new ATOM 0 H1' DA A 6 -4.012 3.335 11.952 1.00 0.00 H new ATOM 0 H8 DA A 6 -3.997 2.873 8.101 1.00 0.00 H new ATOM 0 H61 DA A 6 -6.893 -2.459 9.447 1.00 0.00 H new ATOM 0 H62 DA A 6 -6.224 -1.464 8.149 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.333 -0.194 13.251 1.00 0.00 H new ATOM 188 P DT A 7 -1.247 6.622 12.996 1.00 0.00 P ATOM 189 OP1 DT A 7 -1.881 7.056 14.260 1.00 0.00 O ATOM 190 OP2 DT A 7 -0.894 7.635 11.974 1.00 0.00 O ATOM 191 O5' DT A 7 0.086 5.791 13.361 1.00 0.00 O ATOM 192 C5' DT A 7 0.092 4.761 14.340 1.00 0.00 C ATOM 193 C4' DT A 7 1.484 4.627 14.966 1.00 0.00 C ATOM 194 O4' DT A 7 2.435 4.415 13.938 1.00 0.00 O ATOM 195 C3' DT A 7 1.907 5.893 15.731 1.00 0.00 C ATOM 196 O3' DT A 7 2.176 5.648 17.102 1.00 0.00 O ATOM 197 C2' DT A 7 3.176 6.368 15.037 1.00 0.00 C ATOM 198 C1' DT A 7 3.605 5.155 14.211 1.00 0.00 C ATOM 199 N1 DT A 7 4.267 5.555 12.937 1.00 0.00 N ATOM 200 C2 DT A 7 5.639 5.326 12.793 1.00 0.00 C ATOM 201 O2 DT A 7 6.311 4.694 13.606 1.00 0.00 O ATOM 202 N3 DT A 7 6.242 5.877 11.666 1.00 0.00 N ATOM 203 C4 DT A 7 5.607 6.634 10.690 1.00 0.00 C ATOM 204 O4 DT A 7 6.253 7.075 9.740 1.00 0.00 O ATOM 205 C5 DT A 7 4.180 6.823 10.912 1.00 0.00 C ATOM 206 C7 DT A 7 3.366 7.633 9.921 1.00 0.00 C ATOM 207 C6 DT A 7 3.568 6.281 11.996 1.00 0.00 C ATOM 0 H5' DT A 7 -0.201 3.815 13.884 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.642 4.982 15.115 1.00 0.00 H new ATOM 0 H4' DT A 7 1.442 3.792 15.665 1.00 0.00 H new ATOM 0 H3' DT A 7 1.102 6.628 15.717 1.00 0.00 H new ATOM 0 H2' DT A 7 2.988 7.237 14.406 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.943 6.656 15.756 1.00 0.00 H new ATOM 0 H1' DT A 7 4.334 4.566 14.768 1.00 0.00 H new ATOM 0 H3 DT A 7 7.241 5.710 11.546 1.00 0.00 H new ATOM 0 H71 DT A 7 2.341 7.262 9.903 1.00 0.00 H new ATOM 0 H72 DT A 7 3.367 8.681 10.220 1.00 0.00 H new ATOM 0 H73 DT A 7 3.804 7.538 8.927 1.00 0.00 H new ATOM 0 H6 DT A 7 2.505 6.422 12.125 1.00 0.00 H new ATOM 220 P DG A 8 0.997 5.435 18.193 1.00 0.00 P ATOM 221 OP1 DG A 8 -0.199 6.188 17.753 1.00 0.00 O ATOM 222 OP2 DG A 8 1.579 5.708 19.526 1.00 0.00 O ATOM 223 O5' DG A 8 0.660 3.861 18.098 1.00 0.00 O ATOM 224 C5' DG A 8 1.569 2.880 18.560 1.00 0.00 C ATOM 225 C4' DG A 8 0.979 1.485 18.340 1.00 0.00 C ATOM 226 O4' DG A 8 0.705 1.250 16.966 1.00 0.00 O ATOM 227 C3' DG A 8 1.917 0.373 18.820 1.00 0.00 C ATOM 228 O3' DG A 8 1.599 -0.048 20.131 1.00 0.00 O ATOM 229 C2' DG A 8 1.650 -0.732 17.806 1.00 0.00 C ATOM 230 C1' DG A 8 1.350 0.063 16.536 1.00 0.00 C ATOM 231 N9 DG A 8 2.555 0.424 15.741 1.00 0.00 N ATOM 232 C8 DG A 8 3.893 0.325 16.046 1.00 0.00 C ATOM 233 N7 DG A 8 4.689 0.743 15.102 1.00 0.00 N ATOM 234 C5 DG A 8 3.828 1.162 14.094 1.00 0.00 C ATOM 235 C6 DG A 8 4.109 1.720 12.804 1.00 0.00 C ATOM 236 O6 DG A 8 5.201 1.950 12.292 1.00 0.00 O ATOM 237 N1 DG A 8 2.951 2.013 12.087 1.00 0.00 N ATOM 238 C2 DG A 8 1.670 1.810 12.567 1.00 0.00 C ATOM 239 N2 DG A 8 0.664 2.232 11.806 1.00 0.00 N ATOM 240 N3 DG A 8 1.401 1.273 13.766 1.00 0.00 N ATOM 241 C4 DG A 8 2.520 0.970 14.482 1.00 0.00 C ATOM 0 H5' DG A 8 1.778 3.034 19.619 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.518 2.972 18.031 1.00 0.00 H new ATOM 0 H4' DG A 8 0.059 1.462 18.923 1.00 0.00 H new ATOM 0 H3' DG A 8 2.962 0.680 18.873 1.00 0.00 H new ATOM 0 H2' DG A 8 2.512 -1.388 17.682 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.810 -1.361 18.101 1.00 0.00 H new ATOM 0 HO3' DG A 8 2.215 -0.759 20.405 1.00 0.00 H new ATOM 0 H1' DG A 8 0.742 -0.554 15.874 1.00 0.00 H new ATOM 0 H8 DG A 8 4.253 -0.065 16.986 1.00 0.00 H new ATOM 0 H1 DG A 8 3.054 2.401 11.150 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.299 2.105 12.117 1.00 0.00 H new ATOM 0 H22 DG A 8 0.856 2.683 10.911 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 -2.840 6.566 4.270 1.00 0.00 NA HETATM 256 NA NA A 102 -2.374 6.477 16.611 1.00 0.00 NA HETATM 257 NA NA A 103 -2.134 -4.404 4.055 1.00 0.00 NA HETATM 258 NA NA A 104 3.811 6.698 18.980 1.00 0.00 NA HETATM 259 NA NA A 105 -1.165 9.048 9.947 1.00 0.00 NA HETATM 260 NA NA A 106 -0.474 -1.088 -0.648 1.00 0.00 NA HETATM 261 NA NA A 107 -5.477 -3.465 11.774 1.00 0.00 NA