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 (180deg=-0.229) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.0244 (180deg=-0.0244) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -5.076 -4.869 6.190 1.00 0.00 O ATOM 2 C5' DC A 1 -5.831 -3.981 6.992 1.00 0.00 C ATOM 3 C4' DC A 1 -4.961 -2.850 7.556 1.00 0.00 C ATOM 4 O4' DC A 1 -3.935 -3.385 8.372 1.00 0.00 O ATOM 5 C3' DC A 1 -4.279 -1.990 6.477 1.00 0.00 C ATOM 6 O3' DC A 1 -4.775 -0.661 6.556 1.00 0.00 O ATOM 7 C2' DC A 1 -2.802 -2.068 6.858 1.00 0.00 C ATOM 8 C1' DC A 1 -2.849 -2.486 8.326 1.00 0.00 C ATOM 9 N1 DC A 1 -1.555 -3.081 8.766 1.00 0.00 N ATOM 10 C2 DC A 1 -0.520 -2.204 9.109 1.00 0.00 C ATOM 11 O2 DC A 1 -0.676 -0.985 9.045 1.00 0.00 O ATOM 12 N3 DC A 1 0.674 -2.718 9.521 1.00 0.00 N ATOM 13 C4 DC A 1 0.862 -4.042 9.616 1.00 0.00 C ATOM 14 N4 DC A 1 2.051 -4.490 10.029 1.00 0.00 N ATOM 15 C5 DC A 1 -0.191 -4.965 9.288 1.00 0.00 C ATOM 16 C6 DC A 1 -1.373 -4.443 8.872 1.00 0.00 C ATOM 0 H5' DC A 1 -6.290 -4.532 7.813 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.642 -3.556 6.401 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.646 -2.215 8.118 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.457 -2.321 5.454 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.265 -2.795 6.248 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.300 -1.109 6.727 1.00 0.00 H new ATOM 0 HO5' DC A 1 -5.660 -5.578 5.848 1.00 0.00 H new ATOM 0 H1' DC A 1 -2.990 -1.655 9.017 1.00 0.00 H new ATOM 0 H41 DC A 1 2.218 -5.493 10.109 1.00 0.00 H new ATOM 0 H42 DC A 1 2.791 -3.829 10.264 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.047 -6.032 9.370 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.186 -5.107 8.619 1.00 0.00 H new ATOM 29 P DT A 2 -4.733 0.379 5.313 1.00 0.00 P ATOM 30 OP1 DT A 2 -5.786 1.390 5.554 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.746 -0.372 4.039 1.00 0.00 O ATOM 32 O5' DT A 2 -3.306 1.117 5.453 1.00 0.00 O ATOM 33 C5' DT A 2 -3.026 2.337 4.784 1.00 0.00 C ATOM 34 C4' DT A 2 -1.742 2.997 5.310 1.00 0.00 C ATOM 35 O4' DT A 2 -1.934 3.345 6.675 1.00 0.00 O ATOM 36 C3' DT A 2 -0.527 2.059 5.216 1.00 0.00 C ATOM 37 O3' DT A 2 0.664 2.649 4.671 1.00 0.00 O ATOM 38 C2' DT A 2 -0.410 1.523 6.643 1.00 0.00 C ATOM 39 C1' DT A 2 -1.005 2.645 7.483 1.00 0.00 C ATOM 40 N1 DT A 2 -1.602 2.206 8.770 1.00 0.00 N ATOM 41 C2 DT A 2 -0.879 2.440 9.944 1.00 0.00 C ATOM 42 O2 DT A 2 0.217 3.001 9.968 1.00 0.00 O ATOM 43 N3 DT A 2 -1.471 2.015 11.123 1.00 0.00 N ATOM 44 C4 DT A 2 -2.712 1.401 11.238 1.00 0.00 C ATOM 45 O4 DT A 2 -3.139 1.094 12.347 1.00 0.00 O ATOM 46 C5 DT A 2 -3.397 1.185 9.973 1.00 0.00 C ATOM 47 C7 DT A 2 -4.765 0.528 9.967 1.00 0.00 C ATOM 48 C6 DT A 2 -2.831 1.584 8.806 1.00 0.00 C ATOM 0 H5' DT A 2 -3.865 3.022 4.911 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.926 2.150 3.715 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.543 3.875 4.695 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.664 1.262 4.485 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.959 0.590 6.769 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.626 1.322 6.915 1.00 0.00 H new ATOM 0 H1' DT A 2 -0.192 3.301 7.794 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.948 2.167 11.985 1.00 0.00 H new ATOM 0 H71 DT A 2 -4.843 -0.157 10.811 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.537 1.294 10.048 1.00 0.00 H new ATOM 0 H73 DT A 2 -4.899 -0.025 9.037 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.358 1.409 7.880 1.00 0.00 H new ATOM 61 P DT A 3 1.342 4.096 5.044 1.00 0.00 P ATOM 62 OP1 DT A 3 0.660 4.753 6.177 1.00 0.00 O ATOM 63 OP2 DT A 3 1.529 4.842 3.781 1.00 0.00 O ATOM 64 O5' DT A 3 2.814 3.678 5.547 1.00 0.00 O ATOM 65 C5' DT A 3 2.983 2.681 6.529 1.00 0.00 C ATOM 66 C4' DT A 3 4.450 2.456 6.900 1.00 0.00 C ATOM 67 O4' DT A 3 4.521 1.218 7.593 1.00 0.00 O ATOM 68 C3' DT A 3 5.409 2.334 5.710 1.00 0.00 C ATOM 69 O3' DT A 3 6.707 2.821 6.025 1.00 0.00 O ATOM 70 C2' DT A 3 5.433 0.841 5.422 1.00 0.00 C ATOM 71 C1' DT A 3 5.157 0.229 6.796 1.00 0.00 C ATOM 72 N1 DT A 3 4.357 -1.035 6.738 1.00 0.00 N ATOM 73 C2 DT A 3 4.934 -2.216 7.220 1.00 0.00 C ATOM 74 O2 DT A 3 6.089 -2.282 7.638 1.00 0.00 O ATOM 75 N3 DT A 3 4.132 -3.353 7.200 1.00 0.00 N ATOM 76 C4 DT A 3 2.840 -3.432 6.692 1.00 0.00 C ATOM 77 O4 DT A 3 2.234 -4.500 6.723 1.00 0.00 O ATOM 78 C5 DT A 3 2.338 -2.184 6.140 1.00 0.00 C ATOM 79 C7 DT A 3 0.953 -2.133 5.516 1.00 0.00 C ATOM 80 C6 DT A 3 3.099 -1.060 6.170 1.00 0.00 C ATOM 0 H5' DT A 3 2.557 1.745 6.167 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.426 2.960 7.423 1.00 0.00 H new ATOM 0 H4' DT A 3 4.758 3.329 7.476 1.00 0.00 H new ATOM 0 H3' DT A 3 5.088 2.927 4.854 1.00 0.00 H new ATOM 0 H2' DT A 3 4.674 0.557 4.693 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.395 0.521 5.022 1.00 0.00 H new ATOM 0 H1' DT A 3 6.106 -0.069 7.241 1.00 0.00 H new ATOM 0 H3 DT A 3 4.528 -4.206 7.594 1.00 0.00 H new ATOM 0 H71 DT A 3 0.533 -1.135 5.644 1.00 0.00 H new ATOM 0 H72 DT A 3 1.024 -2.363 4.453 1.00 0.00 H new ATOM 0 H73 DT A 3 0.307 -2.864 6.003 1.00 0.00 H new ATOM 0 H6 DT A 3 2.706 -0.153 5.734 1.00 0.00 H new ATOM 93 P DG A 4 7.102 4.388 5.855 1.00 0.00 P ATOM 94 OP1 DG A 4 6.330 4.952 4.725 1.00 0.00 O ATOM 95 OP2 DG A 4 8.580 4.463 5.836 1.00 0.00 O ATOM 96 O5' DG A 4 6.568 5.084 7.216 1.00 0.00 O ATOM 97 C5' DG A 4 7.353 5.174 8.395 1.00 0.00 C ATOM 98 C4' DG A 4 6.521 4.746 9.605 1.00 0.00 C ATOM 99 O4' DG A 4 6.189 3.378 9.484 1.00 0.00 O ATOM 100 C3' DG A 4 7.267 4.891 10.941 1.00 0.00 C ATOM 101 O3' DG A 4 6.476 5.696 11.805 1.00 0.00 O ATOM 102 C2' DG A 4 7.372 3.455 11.451 1.00 0.00 C ATOM 103 C1' DG A 4 6.156 2.834 10.778 1.00 0.00 C ATOM 104 N9 DG A 4 6.167 1.360 10.688 1.00 0.00 N ATOM 105 C8 DG A 4 7.215 0.478 10.698 1.00 0.00 C ATOM 106 N7 DG A 4 6.857 -0.776 10.631 1.00 0.00 N ATOM 107 C5 DG A 4 5.465 -0.727 10.558 1.00 0.00 C ATOM 108 C6 DG A 4 4.489 -1.773 10.431 1.00 0.00 C ATOM 109 O6 DG A 4 4.655 -2.992 10.404 1.00 0.00 O ATOM 110 N1 DG A 4 3.194 -1.276 10.315 1.00 0.00 N ATOM 111 C2 DG A 4 2.867 0.063 10.362 1.00 0.00 C ATOM 112 N2 DG A 4 1.586 0.378 10.217 1.00 0.00 N ATOM 113 N3 DG A 4 3.764 1.042 10.532 1.00 0.00 N ATOM 114 C4 DG A 4 5.043 0.582 10.608 1.00 0.00 C ATOM 0 H5' DG A 4 7.708 6.196 8.529 1.00 0.00 H new ATOM 0 H5'' DG A 4 8.235 4.539 8.305 1.00 0.00 H new ATOM 0 H4' DG A 4 5.648 5.399 9.613 1.00 0.00 H new ATOM 0 H3' DG A 4 8.247 5.362 10.868 1.00 0.00 H new ATOM 0 H2' DG A 4 8.303 2.975 11.150 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.320 3.396 12.538 1.00 0.00 H new ATOM 0 H1' DG A 4 5.261 3.053 11.361 1.00 0.00 H new ATOM 0 H8 DG A 4 8.247 0.792 10.756 1.00 0.00 H new ATOM 0 H1 DG A 4 2.436 -1.947 10.187 1.00 0.00 H new ATOM 0 H21 DG A 4 1.295 1.355 10.245 1.00 0.00 H new ATOM 0 H22 DG A 4 0.893 -0.357 10.078 1.00 0.00 H new ATOM 126 P DC A 5 7.108 6.545 13.026 1.00 0.00 P ATOM 127 OP1 DC A 5 6.066 7.473 13.520 1.00 0.00 O ATOM 128 OP2 DC A 5 8.407 7.106 12.591 1.00 0.00 O ATOM 129 O5' DC A 5 7.392 5.422 14.156 1.00 0.00 O ATOM 130 C5' DC A 5 6.530 5.192 15.259 1.00 0.00 C ATOM 131 C4' DC A 5 5.125 4.712 14.869 1.00 0.00 C ATOM 132 O4' DC A 5 5.176 3.536 14.093 1.00 0.00 O ATOM 133 C3' DC A 5 4.296 4.380 16.114 1.00 0.00 C ATOM 134 O3' DC A 5 3.460 5.477 16.441 1.00 0.00 O ATOM 135 C2' DC A 5 3.540 3.110 15.722 1.00 0.00 C ATOM 136 C1' DC A 5 3.954 2.854 14.273 1.00 0.00 C ATOM 137 N1 DC A 5 4.083 1.395 14.015 1.00 0.00 N ATOM 138 C2 DC A 5 2.924 0.676 13.707 1.00 0.00 C ATOM 139 O2 DC A 5 1.844 1.248 13.555 1.00 0.00 O ATOM 140 N3 DC A 5 3.003 -0.681 13.595 1.00 0.00 N ATOM 141 C4 DC A 5 4.167 -1.325 13.763 1.00 0.00 C ATOM 142 N4 DC A 5 4.178 -2.656 13.659 1.00 0.00 N ATOM 143 C5 DC A 5 5.378 -0.605 14.053 1.00 0.00 C ATOM 144 C6 DC A 5 5.287 0.744 14.174 1.00 0.00 C ATOM 0 H5' DC A 5 6.440 6.113 15.834 1.00 0.00 H new ATOM 0 H5'' DC A 5 6.987 4.450 15.914 1.00 0.00 H new ATOM 0 H4' DC A 5 4.673 5.525 14.301 1.00 0.00 H new ATOM 0 H3' DC A 5 4.881 4.208 17.017 1.00 0.00 H new ATOM 0 H2' DC A 5 3.809 2.273 16.366 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.462 3.246 15.809 1.00 0.00 H new ATOM 0 H1' DC A 5 3.208 3.215 13.565 1.00 0.00 H new ATOM 0 H41 DC A 5 5.050 -3.170 13.782 1.00 0.00 H new ATOM 0 H42 DC A 5 3.314 -3.159 13.456 1.00 0.00 H new ATOM 0 H5 DC A 5 6.322 -1.117 14.170 1.00 0.00 H new ATOM 0 H6 DC A 5 6.174 1.317 14.399 1.00 0.00 H new ATOM 156 P DG A 6 2.498 5.493 17.743 1.00 0.00 P ATOM 157 OP1 DG A 6 2.227 6.900 18.106 1.00 0.00 O ATOM 158 OP2 DG A 6 3.040 4.563 18.760 1.00 0.00 O ATOM 159 O5' DG A 6 1.134 4.844 17.190 1.00 0.00 O ATOM 160 C5' DG A 6 0.418 5.430 16.125 1.00 0.00 C ATOM 161 C4' DG A 6 -0.968 4.790 16.048 1.00 0.00 C ATOM 162 O4' DG A 6 -1.693 5.350 14.963 1.00 0.00 O ATOM 163 C3' DG A 6 -0.949 3.284 15.794 1.00 0.00 C ATOM 164 O3' DG A 6 -2.196 2.762 16.221 1.00 0.00 O ATOM 165 C2' DG A 6 -0.842 3.228 14.281 1.00 0.00 C ATOM 166 C1' DG A 6 -1.728 4.414 13.895 1.00 0.00 C ATOM 167 N9 DG A 6 -1.324 5.067 12.629 1.00 0.00 N ATOM 168 C8 DG A 6 -0.106 5.602 12.286 1.00 0.00 C ATOM 169 N7 DG A 6 -0.033 6.017 11.052 1.00 0.00 N ATOM 170 C5 DG A 6 -1.290 5.727 10.526 1.00 0.00 C ATOM 171 C6 DG A 6 -1.794 5.894 9.196 1.00 0.00 C ATOM 172 O6 DG A 6 -1.212 6.361 8.220 1.00 0.00 O ATOM 173 N1 DG A 6 -3.098 5.425 9.051 1.00 0.00 N ATOM 174 C2 DG A 6 -3.838 4.865 10.077 1.00 0.00 C ATOM 175 N2 DG A 6 -5.068 4.443 9.776 1.00 0.00 N ATOM 176 N3 DG A 6 -3.372 4.713 11.329 1.00 0.00 N ATOM 177 C4 DG A 6 -2.092 5.158 11.491 1.00 0.00 C ATOM 0 H5' DG A 6 0.953 5.285 15.186 1.00 0.00 H new ATOM 0 H5'' DG A 6 0.328 6.506 16.278 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.420 4.981 17.021 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.161 2.727 16.301 1.00 0.00 H new ATOM 0 H2' DG A 6 0.184 3.347 13.933 1.00 0.00 H new ATOM 0 H2'' DG A 6 -1.210 2.286 13.874 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.737 4.040 13.723 1.00 0.00 H new ATOM 0 H8 DG A 6 0.720 5.673 12.979 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.534 5.499 8.132 1.00 0.00 H new ATOM 0 H21 DG A 6 -5.654 4.023 10.498 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.422 4.541 8.824 1.00 0.00 H new ATOM 189 P DT A 7 -2.352 1.731 17.449 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.701 1.905 18.032 1.00 0.00 O ATOM 191 OP2 DT A 7 -1.156 1.820 18.319 1.00 0.00 O ATOM 192 O5' DT A 7 -2.322 0.319 16.682 1.00 0.00 O ATOM 193 C5' DT A 7 -3.250 0.001 15.662 1.00 0.00 C ATOM 194 C4' DT A 7 -3.510 -1.506 15.579 1.00 0.00 C ATOM 195 O4' DT A 7 -2.334 -2.178 15.161 1.00 0.00 O ATOM 196 C3' DT A 7 -3.925 -2.096 16.936 1.00 0.00 C ATOM 197 O3' DT A 7 -4.964 -3.058 16.842 1.00 0.00 O ATOM 198 C2' DT A 7 -2.643 -2.739 17.450 1.00 0.00 C ATOM 199 C1' DT A 7 -1.895 -3.080 16.159 1.00 0.00 C ATOM 200 N1 DT A 7 -0.415 -3.004 16.337 1.00 0.00 N ATOM 201 C2 DT A 7 0.294 -4.190 16.561 1.00 0.00 C ATOM 202 O2 DT A 7 -0.218 -5.305 16.494 1.00 0.00 O ATOM 203 N3 DT A 7 1.641 -4.054 16.883 1.00 0.00 N ATOM 204 C4 DT A 7 2.329 -2.853 17.026 1.00 0.00 C ATOM 205 O4 DT A 7 3.519 -2.862 17.334 1.00 0.00 O ATOM 206 C5 DT A 7 1.520 -1.664 16.785 1.00 0.00 C ATOM 207 C7 DT A 7 2.130 -0.281 16.934 1.00 0.00 C ATOM 208 C6 DT A 7 0.214 -1.781 16.438 1.00 0.00 C ATOM 0 H5' DT A 7 -2.873 0.358 14.704 1.00 0.00 H new ATOM 0 H5'' DT A 7 -4.189 0.522 15.849 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.321 -1.646 14.865 1.00 0.00 H new ATOM 0 H3' DT A 7 -4.332 -1.327 17.593 1.00 0.00 H new ATOM 0 H2' DT A 7 -2.072 -2.057 18.080 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.847 -3.628 18.046 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.112 -4.108 15.869 1.00 0.00 H new ATOM 0 H3 DT A 7 2.172 -4.913 17.027 1.00 0.00 H new ATOM 0 H71 DT A 7 1.634 0.411 16.254 1.00 0.00 H new ATOM 0 H72 DT A 7 2.002 0.064 17.960 1.00 0.00 H new ATOM 0 H73 DT A 7 3.193 -0.324 16.696 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.353 -0.885 16.234 1.00 0.00 H new ATOM 221 P DG A 8 -6.493 -2.653 16.479 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.685 -1.214 16.772 1.00 0.00 O ATOM 223 OP2 DG A 8 -7.393 -3.651 17.098 1.00 0.00 O ATOM 224 O5' DG A 8 -6.548 -2.847 14.878 1.00 0.00 O ATOM 225 C5' DG A 8 -6.542 -4.134 14.290 1.00 0.00 C ATOM 226 C4' DG A 8 -6.017 -4.046 12.856 1.00 0.00 C ATOM 227 O4' DG A 8 -4.698 -3.541 12.830 1.00 0.00 O ATOM 228 C3' DG A 8 -5.934 -5.405 12.167 1.00 0.00 C ATOM 229 O3' DG A 8 -7.180 -5.814 11.639 1.00 0.00 O ATOM 230 C2' DG A 8 -4.935 -5.107 11.054 1.00 0.00 C ATOM 231 C1' DG A 8 -4.044 -4.016 11.668 1.00 0.00 C ATOM 232 N9 DG A 8 -2.693 -4.470 12.077 1.00 0.00 N ATOM 233 C8 DG A 8 -2.224 -5.733 12.349 1.00 0.00 C ATOM 234 N7 DG A 8 -0.981 -5.773 12.743 1.00 0.00 N ATOM 235 C5 DG A 8 -0.590 -4.437 12.754 1.00 0.00 C ATOM 236 C6 DG A 8 0.659 -3.835 13.121 1.00 0.00 C ATOM 237 O6 DG A 8 1.698 -4.376 13.491 1.00 0.00 O ATOM 238 N1 DG A 8 0.620 -2.446 13.036 1.00 0.00 N ATOM 239 C2 DG A 8 -0.486 -1.724 12.638 1.00 0.00 C ATOM 240 N2 DG A 8 -0.393 -0.400 12.702 1.00 0.00 N ATOM 241 N3 DG A 8 -1.642 -2.279 12.249 1.00 0.00 N ATOM 242 C4 DG A 8 -1.635 -3.638 12.343 1.00 0.00 C ATOM 0 H5' DG A 8 -7.549 -4.550 14.293 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.917 -4.808 14.875 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.726 -3.397 12.342 1.00 0.00 H new ATOM 0 H3' DG A 8 -5.647 -6.219 12.833 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.359 -5.992 10.782 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.432 -4.759 10.149 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.081 -6.687 11.206 1.00 0.00 H new ATOM 0 H1' DG A 8 -3.899 -3.261 10.895 1.00 0.00 H new ATOM 0 H8 DG A 8 -2.834 -6.618 12.245 1.00 0.00 H new ATOM 0 H1 DG A 8 1.464 -1.929 13.284 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.182 0.181 12.419 1.00 0.00 H new ATOM 0 H22 DG A 8 0.468 0.035 13.034 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 9.098 2.347 7.128 1.00 0.00 NA HETATM 257 NA NA A 102 1.017 2.929 18.981 1.00 0.00 NA HETATM 258 NA NA A 103 -6.607 1.158 3.102 1.00 0.00 NA HETATM 259 NA NA A 104 -5.978 0.991 17.652 1.00 0.00 NA HETATM 260 NA NA A 105 7.594 9.489 13.464 1.00 0.00 NA HETATM 261 NA NA A 106 4.035 5.338 3.803 1.00 0.00 NA HETATM 262 NA NA A 107 1.137 5.293 8.616 1.00 0.00 NA