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= -0.364 (180deg=-0.364) 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 -1.457 -4.947 17.542 1.00 0.00 O ATOM 2 C5' DC A 1 -0.389 -4.204 16.991 1.00 0.00 C ATOM 3 C4' DC A 1 -0.764 -3.678 15.602 1.00 0.00 C ATOM 4 O4' DC A 1 0.269 -2.834 15.131 1.00 0.00 O ATOM 5 C3' DC A 1 -0.977 -4.791 14.560 1.00 0.00 C ATOM 6 O3' DC A 1 -2.262 -4.619 13.979 1.00 0.00 O ATOM 7 C2' DC A 1 0.166 -4.562 13.567 1.00 0.00 C ATOM 8 C1' DC A 1 0.439 -3.073 13.753 1.00 0.00 C ATOM 9 N1 DC A 1 1.799 -2.649 13.315 1.00 0.00 N ATOM 10 C2 DC A 1 1.920 -1.820 12.193 1.00 0.00 C ATOM 11 O2 DC A 1 0.930 -1.438 11.571 1.00 0.00 O ATOM 12 N3 DC A 1 3.166 -1.434 11.795 1.00 0.00 N ATOM 13 C4 DC A 1 4.262 -1.836 12.452 1.00 0.00 C ATOM 14 N4 DC A 1 5.452 -1.405 12.025 1.00 0.00 N ATOM 15 C5 DC A 1 4.167 -2.710 13.589 1.00 0.00 C ATOM 16 C6 DC A 1 2.925 -3.093 13.975 1.00 0.00 C ATOM 0 H5' DC A 1 0.500 -4.830 16.922 1.00 0.00 H new ATOM 0 H5'' DC A 1 -0.141 -3.370 17.648 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.709 -3.147 15.718 1.00 0.00 H new ATOM 0 H3' DC A 1 -0.957 -5.809 14.950 1.00 0.00 H new ATOM 0 H2' DC A 1 1.039 -5.171 13.800 1.00 0.00 H new ATOM 0 H2'' DC A 1 -0.126 -4.801 12.544 1.00 0.00 H new ATOM 0 HO5' DC A 1 -1.202 -5.278 18.429 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.241 -2.493 13.129 1.00 0.00 H new ATOM 0 H41 DC A 1 6.303 -1.696 12.507 1.00 0.00 H new ATOM 0 H42 DC A 1 5.510 -0.785 11.217 1.00 0.00 H new ATOM 0 H5 DC A 1 5.048 -3.048 14.114 1.00 0.00 H new ATOM 0 H6 DC A 1 2.815 -3.760 14.817 1.00 0.00 H new ATOM 29 P DT A 2 -2.934 -5.693 12.972 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.391 -5.691 13.226 1.00 0.00 O ATOM 31 OP2 DT A 2 -2.193 -6.973 13.046 1.00 0.00 O ATOM 32 O5' DT A 2 -2.674 -5.035 11.528 1.00 0.00 O ATOM 33 C5' DT A 2 -3.375 -5.452 10.371 1.00 0.00 C ATOM 34 C4' DT A 2 -3.022 -4.564 9.166 1.00 0.00 C ATOM 35 O4' DT A 2 -3.476 -3.238 9.417 1.00 0.00 O ATOM 36 C3' DT A 2 -1.505 -4.503 8.905 1.00 0.00 C ATOM 37 O3' DT A 2 -1.123 -4.626 7.527 1.00 0.00 O ATOM 38 C2' DT A 2 -1.119 -3.191 9.577 1.00 0.00 C ATOM 39 C1' DT A 2 -2.375 -2.346 9.382 1.00 0.00 C ATOM 40 N1 DT A 2 -2.484 -1.276 10.406 1.00 0.00 N ATOM 41 C2 DT A 2 -2.169 0.034 10.033 1.00 0.00 C ATOM 42 O2 DT A 2 -1.935 0.377 8.876 1.00 0.00 O ATOM 43 N3 DT A 2 -2.120 0.969 11.058 1.00 0.00 N ATOM 44 C4 DT A 2 -2.369 0.720 12.403 1.00 0.00 C ATOM 45 O4 DT A 2 -2.281 1.633 13.220 1.00 0.00 O ATOM 46 C5 DT A 2 -2.722 -0.658 12.703 1.00 0.00 C ATOM 47 C7 DT A 2 -3.057 -1.050 14.128 1.00 0.00 C ATOM 48 C6 DT A 2 -2.762 -1.592 11.719 1.00 0.00 C ATOM 0 H5' DT A 2 -4.448 -5.410 10.556 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.130 -6.490 10.147 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.505 -4.999 8.291 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.964 -5.358 9.311 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.881 -3.329 10.632 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.246 -2.736 9.110 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.344 -1.822 8.427 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.879 1.926 10.801 1.00 0.00 H new ATOM 0 H71 DT A 2 -3.769 -1.875 14.121 1.00 0.00 H new ATOM 0 H72 DT A 2 -2.148 -1.360 14.643 1.00 0.00 H new ATOM 0 H73 DT A 2 -3.495 -0.197 14.646 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.019 -2.610 11.971 1.00 0.00 H new ATOM 61 P DT A 3 -1.618 -3.718 6.253 1.00 0.00 P ATOM 62 OP1 DT A 3 -3.034 -3.333 6.432 1.00 0.00 O ATOM 63 OP2 DT A 3 -1.256 -4.462 5.030 1.00 0.00 O ATOM 64 O5' DT A 3 -0.759 -2.336 6.239 1.00 0.00 O ATOM 65 C5' DT A 3 0.607 -2.254 6.615 1.00 0.00 C ATOM 66 C4' DT A 3 1.599 -2.028 5.470 1.00 0.00 C ATOM 67 O4' DT A 3 2.874 -1.791 6.047 1.00 0.00 O ATOM 68 C3' DT A 3 1.805 -3.200 4.507 1.00 0.00 C ATOM 69 O3' DT A 3 2.213 -2.760 3.218 1.00 0.00 O ATOM 70 C2' DT A 3 2.899 -4.021 5.179 1.00 0.00 C ATOM 71 C1' DT A 3 3.663 -2.971 6.001 1.00 0.00 C ATOM 72 N1 DT A 3 4.088 -3.391 7.378 1.00 0.00 N ATOM 73 C2 DT A 3 5.372 -3.024 7.805 1.00 0.00 C ATOM 74 O2 DT A 3 6.151 -2.363 7.120 1.00 0.00 O ATOM 75 N3 DT A 3 5.753 -3.444 9.075 1.00 0.00 N ATOM 76 C4 DT A 3 4.975 -4.180 9.960 1.00 0.00 C ATOM 77 O4 DT A 3 5.435 -4.507 11.051 1.00 0.00 O ATOM 78 C5 DT A 3 3.645 -4.496 9.463 1.00 0.00 C ATOM 79 C7 DT A 3 2.677 -5.268 10.344 1.00 0.00 C ATOM 80 C6 DT A 3 3.258 -4.111 8.219 1.00 0.00 C ATOM 0 H5' DT A 3 0.879 -3.175 7.130 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.719 -1.442 7.334 1.00 0.00 H new ATOM 0 H4' DT A 3 1.175 -1.207 4.892 1.00 0.00 H new ATOM 0 H3' DT A 3 0.889 -3.765 4.335 1.00 0.00 H new ATOM 0 H2' DT A 3 2.484 -4.805 5.812 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.544 -4.509 4.448 1.00 0.00 H new ATOM 0 H1' DT A 3 4.612 -2.808 5.490 1.00 0.00 H new ATOM 0 H3 DT A 3 6.690 -3.188 9.385 1.00 0.00 H new ATOM 0 H71 DT A 3 1.655 -4.976 10.104 1.00 0.00 H new ATOM 0 H72 DT A 3 2.799 -6.337 10.169 1.00 0.00 H new ATOM 0 H73 DT A 3 2.882 -5.046 11.391 1.00 0.00 H new ATOM 0 H6 DT A 3 2.269 -4.376 7.875 1.00 0.00 H new ATOM 93 P DG A 4 1.143 -2.346 2.071 1.00 0.00 P ATOM 94 OP1 DG A 4 -0.033 -3.239 2.177 1.00 0.00 O ATOM 95 OP2 DG A 4 1.862 -2.275 0.780 1.00 0.00 O ATOM 96 O5' DG A 4 0.663 -0.858 2.479 1.00 0.00 O ATOM 97 C5' DG A 4 1.374 0.296 2.066 1.00 0.00 C ATOM 98 C4' DG A 4 1.077 1.463 3.014 1.00 0.00 C ATOM 99 O4' DG A 4 1.643 1.172 4.280 1.00 0.00 O ATOM 100 C3' DG A 4 1.735 2.771 2.543 1.00 0.00 C ATOM 101 O3' DG A 4 0.971 3.904 2.925 1.00 0.00 O ATOM 102 C2' DG A 4 3.035 2.784 3.334 1.00 0.00 C ATOM 103 C1' DG A 4 2.519 2.218 4.654 1.00 0.00 C ATOM 104 N9 DG A 4 3.562 1.718 5.577 1.00 0.00 N ATOM 105 C8 DG A 4 4.919 1.583 5.407 1.00 0.00 C ATOM 106 N7 DG A 4 5.539 1.078 6.439 1.00 0.00 N ATOM 107 C5 DG A 4 4.521 0.843 7.361 1.00 0.00 C ATOM 108 C6 DG A 4 4.569 0.290 8.682 1.00 0.00 C ATOM 109 O6 DG A 4 5.552 -0.094 9.315 1.00 0.00 O ATOM 110 N1 DG A 4 3.309 0.200 9.268 1.00 0.00 N ATOM 111 C2 DG A 4 2.139 0.608 8.658 1.00 0.00 C ATOM 112 N2 DG A 4 1.008 0.436 9.337 1.00 0.00 N ATOM 113 N3 DG A 4 2.089 1.147 7.433 1.00 0.00 N ATOM 114 C4 DG A 4 3.310 1.234 6.835 1.00 0.00 C ATOM 0 H5' DG A 4 1.090 0.563 1.048 1.00 0.00 H new ATOM 0 H5'' DG A 4 2.444 0.089 2.055 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.005 1.586 3.047 1.00 0.00 H new ATOM 0 H3' DG A 4 1.846 2.814 1.459 1.00 0.00 H new ATOM 0 H2' DG A 4 3.808 2.162 2.883 1.00 0.00 H new ATOM 0 H2'' DG A 4 3.453 3.785 3.440 1.00 0.00 H new ATOM 0 H1' DG A 4 2.041 3.015 5.224 1.00 0.00 H new ATOM 0 H8 DG A 4 5.428 1.870 4.499 1.00 0.00 H new ATOM 0 H1 DG A 4 3.246 -0.192 10.207 1.00 0.00 H new ATOM 0 H21 DG A 4 0.119 0.722 8.927 1.00 0.00 H new ATOM 0 H22 DG A 4 1.030 0.018 10.267 1.00 0.00 H new ATOM 126 P DC A 5 -0.317 4.417 2.100 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.006 3.256 1.492 1.00 0.00 O ATOM 128 OP2 DC A 5 0.095 5.540 1.229 1.00 0.00 O ATOM 129 O5' DC A 5 -1.255 4.983 3.283 1.00 0.00 O ATOM 130 C5' DC A 5 -0.925 6.147 4.022 1.00 0.00 C ATOM 131 C4' DC A 5 -0.935 5.815 5.517 1.00 0.00 C ATOM 132 O4' DC A 5 0.173 5.011 5.886 1.00 0.00 O ATOM 133 C3' DC A 5 -0.883 7.072 6.402 1.00 0.00 C ATOM 134 O3' DC A 5 -2.175 7.272 6.958 1.00 0.00 O ATOM 135 C2' DC A 5 0.187 6.732 7.447 1.00 0.00 C ATOM 136 C1' DC A 5 0.362 5.228 7.267 1.00 0.00 C ATOM 137 N1 DC A 5 1.675 4.738 7.773 1.00 0.00 N ATOM 138 C2 DC A 5 1.715 4.110 9.026 1.00 0.00 C ATOM 139 O2 DC A 5 0.688 3.910 9.673 1.00 0.00 O ATOM 140 N3 DC A 5 2.923 3.725 9.531 1.00 0.00 N ATOM 141 C4 DC A 5 4.059 3.953 8.860 1.00 0.00 C ATOM 142 N4 DC A 5 5.207 3.543 9.402 1.00 0.00 N ATOM 143 C5 DC A 5 4.049 4.627 7.588 1.00 0.00 C ATOM 144 C6 DC A 5 2.843 5.001 7.090 1.00 0.00 C ATOM 0 H5' DC A 5 -1.640 6.942 3.809 1.00 0.00 H new ATOM 0 H5'' DC A 5 0.058 6.514 3.725 1.00 0.00 H new ATOM 0 H4' DC A 5 -1.872 5.282 5.677 1.00 0.00 H new ATOM 0 H3' DC A 5 -0.629 7.999 5.888 1.00 0.00 H new ATOM 0 H2' DC A 5 1.116 7.273 7.266 1.00 0.00 H new ATOM 0 H2'' DC A 5 -0.138 6.984 8.456 1.00 0.00 H new ATOM 0 H1' DC A 5 -0.355 4.657 7.858 1.00 0.00 H new ATOM 0 H41 DC A 5 6.088 3.703 8.913 1.00 0.00 H new ATOM 0 H42 DC A 5 5.204 3.069 10.305 1.00 0.00 H new ATOM 0 H5 DC A 5 4.965 4.827 7.051 1.00 0.00 H new ATOM 0 H6 DC A 5 2.798 5.514 6.141 1.00 0.00 H new ATOM 156 P DA A 6 -2.561 8.508 7.932 1.00 0.00 P ATOM 157 OP1 DA A 6 -3.854 9.068 7.487 1.00 0.00 O ATOM 158 OP2 DA A 6 -1.388 9.399 8.086 1.00 0.00 O ATOM 159 O5' DA A 6 -2.786 7.772 9.348 1.00 0.00 O ATOM 160 C5' DA A 6 -3.818 6.820 9.533 1.00 0.00 C ATOM 161 C4' DA A 6 -3.868 6.374 10.999 1.00 0.00 C ATOM 162 O4' DA A 6 -4.797 5.309 11.136 1.00 0.00 O ATOM 163 C3' DA A 6 -2.520 5.840 11.496 1.00 0.00 C ATOM 164 O3' DA A 6 -2.423 6.033 12.897 1.00 0.00 O ATOM 165 C2' DA A 6 -2.603 4.367 11.144 1.00 0.00 C ATOM 166 C1' DA A 6 -4.099 4.084 11.304 1.00 0.00 C ATOM 167 N9 DA A 6 -4.595 3.054 10.358 1.00 0.00 N ATOM 168 C8 DA A 6 -4.410 2.972 8.997 1.00 0.00 C ATOM 169 N7 DA A 6 -4.824 1.857 8.463 1.00 0.00 N ATOM 170 C5 DA A 6 -5.308 1.130 9.546 1.00 0.00 C ATOM 171 C6 DA A 6 -5.836 -0.176 9.679 1.00 0.00 C ATOM 172 N6 DA A 6 -5.966 -1.026 8.654 1.00 0.00 N ATOM 173 N1 DA A 6 -6.205 -0.606 10.903 1.00 0.00 N ATOM 174 C2 DA A 6 -6.054 0.216 11.941 1.00 0.00 C ATOM 175 N3 DA A 6 -5.563 1.455 11.955 1.00 0.00 N ATOM 176 C4 DA A 6 -5.200 1.864 10.705 1.00 0.00 C ATOM 0 H5' DA A 6 -3.648 5.958 8.888 1.00 0.00 H new ATOM 0 H5'' DA A 6 -4.777 7.250 9.243 1.00 0.00 H new ATOM 0 H4' DA A 6 -4.148 7.252 11.581 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.649 6.330 11.061 1.00 0.00 H new ATOM 0 H2' DA A 6 -2.257 4.170 10.129 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.998 3.753 11.812 1.00 0.00 H new ATOM 0 H1' DA A 6 -4.274 3.675 12.299 1.00 0.00 H new ATOM 0 H8 DA A 6 -3.959 3.765 8.419 1.00 0.00 H new ATOM 0 H61 DA A 6 -6.354 -1.957 8.809 1.00 0.00 H new ATOM 0 H62 DA A 6 -5.677 -0.743 7.717 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.371 -0.173 12.897 1.00 0.00 H new ATOM 188 P DT A 7 -1.105 6.662 13.586 1.00 0.00 P ATOM 189 OP1 DT A 7 -1.460 7.041 14.972 1.00 0.00 O ATOM 190 OP2 DT A 7 -0.533 7.684 12.678 1.00 0.00 O ATOM 191 O5' DT A 7 -0.081 5.414 13.633 1.00 0.00 O ATOM 192 C5' DT A 7 -0.145 4.395 14.620 1.00 0.00 C ATOM 193 C4' DT A 7 1.172 4.317 15.405 1.00 0.00 C ATOM 194 O4' DT A 7 2.243 4.126 14.494 1.00 0.00 O ATOM 195 C3' DT A 7 1.471 5.600 16.200 1.00 0.00 C ATOM 196 O3' DT A 7 1.950 5.343 17.510 1.00 0.00 O ATOM 197 C2' DT A 7 2.552 6.297 15.388 1.00 0.00 C ATOM 198 C1' DT A 7 3.232 5.115 14.695 1.00 0.00 C ATOM 199 N1 DT A 7 3.883 5.475 13.402 1.00 0.00 N ATOM 200 C2 DT A 7 5.253 5.230 13.253 1.00 0.00 C ATOM 201 O2 DT A 7 5.932 4.637 14.090 1.00 0.00 O ATOM 202 N3 DT A 7 5.845 5.707 12.088 1.00 0.00 N ATOM 203 C4 DT A 7 5.202 6.409 11.074 1.00 0.00 C ATOM 204 O4 DT A 7 5.842 6.794 10.099 1.00 0.00 O ATOM 205 C5 DT A 7 3.776 6.606 11.293 1.00 0.00 C ATOM 206 C7 DT A 7 2.949 7.352 10.260 1.00 0.00 C ATOM 207 C6 DT A 7 3.175 6.133 12.417 1.00 0.00 C ATOM 0 H5' DT A 7 -0.349 3.435 14.146 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.970 4.595 15.303 1.00 0.00 H new ATOM 0 H4' DT A 7 1.071 3.490 16.107 1.00 0.00 H new ATOM 0 H3' DT A 7 0.565 6.191 16.335 1.00 0.00 H new ATOM 0 H2' DT A 7 2.134 7.005 14.673 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.244 6.854 16.020 1.00 0.00 H new ATOM 0 H1' DT A 7 4.041 4.756 15.331 1.00 0.00 H new ATOM 0 H3 DT A 7 6.841 5.525 11.966 1.00 0.00 H new ATOM 0 H71 DT A 7 1.926 6.976 10.273 1.00 0.00 H new ATOM 0 H72 DT A 7 2.947 8.416 10.495 1.00 0.00 H new ATOM 0 H73 DT A 7 3.379 7.200 9.270 1.00 0.00 H new ATOM 0 H6 DT A 7 2.112 6.276 12.543 1.00 0.00 H new ATOM 220 P DG A 8 0.964 4.945 18.732 1.00 0.00 P ATOM 221 OP1 DG A 8 -0.359 5.568 18.497 1.00 0.00 O ATOM 222 OP2 DG A 8 1.677 5.208 20.002 1.00 0.00 O ATOM 223 O5' DG A 8 0.794 3.350 18.571 1.00 0.00 O ATOM 224 C5' DG A 8 1.866 2.465 18.837 1.00 0.00 C ATOM 225 C4' DG A 8 1.446 1.038 18.482 1.00 0.00 C ATOM 226 O4' DG A 8 1.156 0.919 17.097 1.00 0.00 O ATOM 227 C3' DG A 8 2.538 0.017 18.811 1.00 0.00 C ATOM 228 O3' DG A 8 2.369 -0.538 20.100 1.00 0.00 O ATOM 229 C2' DG A 8 2.312 -1.036 17.733 1.00 0.00 C ATOM 230 C1' DG A 8 1.849 -0.188 16.547 1.00 0.00 C ATOM 231 N9 DG A 8 2.950 0.306 15.679 1.00 0.00 N ATOM 232 C8 DG A 8 4.311 0.314 15.874 1.00 0.00 C ATOM 233 N7 DG A 8 4.993 0.823 14.886 1.00 0.00 N ATOM 234 C5 DG A 8 4.022 1.200 13.963 1.00 0.00 C ATOM 235 C6 DG A 8 4.149 1.816 12.673 1.00 0.00 C ATOM 236 O6 DG A 8 5.170 2.138 12.068 1.00 0.00 O ATOM 237 N1 DG A 8 2.914 2.052 12.074 1.00 0.00 N ATOM 238 C2 DG A 8 1.700 1.725 12.645 1.00 0.00 C ATOM 239 N2 DG A 8 0.608 2.089 11.980 1.00 0.00 N ATOM 240 N3 DG A 8 1.574 1.114 13.832 1.00 0.00 N ATOM 241 C4 DG A 8 2.769 0.887 14.446 1.00 0.00 C ATOM 0 H5' DG A 8 2.147 2.522 19.889 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.743 2.753 18.257 1.00 0.00 H new ATOM 0 H4' DG A 8 0.558 0.832 19.080 1.00 0.00 H new ATOM 0 H3' DG A 8 3.541 0.443 18.822 1.00 0.00 H new ATOM 0 H2' DG A 8 3.223 -1.590 17.507 1.00 0.00 H new ATOM 0 H2'' DG A 8 1.560 -1.767 18.029 1.00 0.00 H new ATOM 0 HO3' DG A 8 3.083 -1.186 20.273 1.00 0.00 H new ATOM 0 H1' DG A 8 1.231 -0.811 15.901 1.00 0.00 H new ATOM 0 H8 DG A 8 4.776 -0.069 16.770 1.00 0.00 H new ATOM 0 H1 DG A 8 2.906 2.495 11.155 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.315 1.872 12.357 1.00 0.00 H new ATOM 0 H22 DG A 8 0.693 2.585 11.093 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 -1.672 -2.130 3.730 1.00 0.00 NA HETATM 256 NA NA A 102 -2.294 6.310 17.176 1.00 0.00 NA HETATM 257 NA NA A 103 -4.390 -8.238 13.589 1.00 0.00 NA HETATM 258 NA NA A 104 7.543 -0.277 7.655 1.00 0.00 NA HETATM 259 NA NA A 105 -1.164 4.475 -0.783 1.00 0.00 NA HETATM 260 NA NA A 106 0.567 -4.361 -0.088 1.00 0.00 NA HETATM 261 NA NA A 107 -0.775 8.986 10.558 1.00 0.00 NA