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= -0.0436 (180deg=-0.429) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.475 (180deg=-0.475) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -5.216 -4.710 6.319 1.00 0.00 O ATOM 2 C5' DC A 1 -5.908 -3.709 7.040 1.00 0.00 C ATOM 3 C4' DC A 1 -4.964 -2.607 7.544 1.00 0.00 C ATOM 4 O4' DC A 1 -3.970 -3.158 8.387 1.00 0.00 O ATOM 5 C3' DC A 1 -4.233 -1.855 6.420 1.00 0.00 C ATOM 6 O3' DC A 1 -4.728 -0.526 6.339 1.00 0.00 O ATOM 7 C2' DC A 1 -2.768 -1.907 6.854 1.00 0.00 C ATOM 8 C1' DC A 1 -2.844 -2.309 8.326 1.00 0.00 C ATOM 9 N1 DC A 1 -1.585 -2.965 8.776 1.00 0.00 N ATOM 10 C2 DC A 1 -0.533 -2.149 9.219 1.00 0.00 C ATOM 11 O2 DC A 1 -0.643 -0.924 9.241 1.00 0.00 O ATOM 12 N3 DC A 1 0.628 -2.739 9.626 1.00 0.00 N ATOM 13 C4 DC A 1 0.771 -4.071 9.614 1.00 0.00 C ATOM 14 N4 DC A 1 1.925 -4.597 10.029 1.00 0.00 N ATOM 15 C5 DC A 1 -0.293 -4.930 9.169 1.00 0.00 C ATOM 16 C6 DC A 1 -1.443 -4.336 8.763 1.00 0.00 C ATOM 0 H5' DC A 1 -6.422 -4.162 7.888 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.674 -3.267 6.403 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.606 -1.903 8.073 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.372 -2.282 5.427 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.202 -2.632 6.269 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.278 -0.942 6.727 1.00 0.00 H new ATOM 0 HO5' DC A 1 -5.850 -5.393 6.017 1.00 0.00 H new ATOM 0 H1' DC A 1 -2.950 -1.459 9.000 1.00 0.00 H new ATOM 0 H41 DC A 1 2.054 -5.609 10.028 1.00 0.00 H new ATOM 0 H42 DC A 1 2.678 -3.987 10.348 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.181 -6.004 9.158 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.264 -4.950 8.423 1.00 0.00 H new ATOM 29 P DT A 2 -4.510 0.419 5.041 1.00 0.00 P ATOM 30 OP1 DT A 2 -5.689 1.308 4.942 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.149 -0.420 3.877 1.00 0.00 O ATOM 32 O5' DT A 2 -3.232 1.319 5.433 1.00 0.00 O ATOM 33 C5' DT A 2 -2.976 2.571 4.816 1.00 0.00 C ATOM 34 C4' DT A 2 -1.701 3.224 5.374 1.00 0.00 C ATOM 35 O4' DT A 2 -1.897 3.517 6.751 1.00 0.00 O ATOM 36 C3' DT A 2 -0.478 2.299 5.247 1.00 0.00 C ATOM 37 O3' DT A 2 0.712 2.916 4.732 1.00 0.00 O ATOM 38 C2' DT A 2 -0.366 1.707 6.654 1.00 0.00 C ATOM 39 C1' DT A 2 -0.969 2.789 7.538 1.00 0.00 C ATOM 40 N1 DT A 2 -1.581 2.278 8.791 1.00 0.00 N ATOM 41 C2 DT A 2 -0.862 2.419 9.981 1.00 0.00 C ATOM 42 O2 DT A 2 0.240 2.966 10.049 1.00 0.00 O ATOM 43 N3 DT A 2 -1.464 1.917 11.126 1.00 0.00 N ATOM 44 C4 DT A 2 -2.719 1.325 11.195 1.00 0.00 C ATOM 45 O4 DT A 2 -3.160 0.958 12.281 1.00 0.00 O ATOM 46 C5 DT A 2 -3.402 1.212 9.916 1.00 0.00 C ATOM 47 C7 DT A 2 -4.783 0.588 9.857 1.00 0.00 C ATOM 48 C6 DT A 2 -2.821 1.680 8.781 1.00 0.00 C ATOM 0 H5' DT A 2 -3.825 3.236 4.973 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.874 2.433 3.740 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.511 4.129 4.797 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.605 1.533 4.482 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.912 0.767 6.740 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.670 1.500 6.922 1.00 0.00 H new ATOM 0 H1' DT A 2 -0.166 3.438 7.888 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.937 1.989 11.996 1.00 0.00 H new ATOM 0 H71 DT A 2 -4.882 -0.152 10.651 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.538 1.363 9.987 1.00 0.00 H new ATOM 0 H73 DT A 2 -4.923 0.104 8.890 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.347 1.580 7.843 1.00 0.00 H new ATOM 61 P DT A 3 1.381 4.349 5.168 1.00 0.00 P ATOM 62 OP1 DT A 3 0.669 4.966 6.306 1.00 0.00 O ATOM 63 OP2 DT A 3 1.588 5.140 3.936 1.00 0.00 O ATOM 64 O5' DT A 3 2.848 3.922 5.689 1.00 0.00 O ATOM 65 C5' DT A 3 3.009 2.880 6.627 1.00 0.00 C ATOM 66 C4' DT A 3 4.476 2.615 6.976 1.00 0.00 C ATOM 67 O4' DT A 3 4.523 1.381 7.678 1.00 0.00 O ATOM 68 C3' DT A 3 5.380 2.441 5.747 1.00 0.00 C ATOM 69 O3' DT A 3 6.717 2.845 5.997 1.00 0.00 O ATOM 70 C2' DT A 3 5.325 0.946 5.476 1.00 0.00 C ATOM 71 C1' DT A 3 5.115 0.370 6.875 1.00 0.00 C ATOM 72 N1 DT A 3 4.315 -0.894 6.872 1.00 0.00 N ATOM 73 C2 DT A 3 4.943 -2.084 7.264 1.00 0.00 C ATOM 74 O2 DT A 3 6.119 -2.144 7.614 1.00 0.00 O ATOM 75 N3 DT A 3 4.168 -3.238 7.229 1.00 0.00 N ATOM 76 C4 DT A 3 2.857 -3.328 6.773 1.00 0.00 C ATOM 77 O4 DT A 3 2.282 -4.414 6.767 1.00 0.00 O ATOM 78 C5 DT A 3 2.297 -2.064 6.317 1.00 0.00 C ATOM 79 C7 DT A 3 0.891 -2.024 5.746 1.00 0.00 C ATOM 80 C6 DT A 3 3.028 -0.920 6.377 1.00 0.00 C ATOM 0 H5' DT A 3 2.565 1.968 6.229 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.463 3.129 7.537 1.00 0.00 H new ATOM 0 H4' DT A 3 4.833 3.474 7.543 1.00 0.00 H new ATOM 0 H3' DT A 3 5.047 3.055 4.910 1.00 0.00 H new ATOM 0 H2' DT A 3 4.509 0.685 4.802 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.245 0.581 5.020 1.00 0.00 H new ATOM 0 H1' DT A 3 6.079 0.081 7.293 1.00 0.00 H new ATOM 0 H3 DT A 3 4.600 -4.097 7.569 1.00 0.00 H new ATOM 0 H71 DT A 3 0.443 -1.051 5.950 1.00 0.00 H new ATOM 0 H72 DT A 3 0.931 -2.187 4.669 1.00 0.00 H new ATOM 0 H73 DT A 3 0.288 -2.805 6.209 1.00 0.00 H new ATOM 0 H6 DT A 3 2.586 0.000 6.025 1.00 0.00 H new ATOM 93 P DG A 4 7.204 4.382 5.830 1.00 0.00 P ATOM 94 OP1 DG A 4 6.333 5.056 4.841 1.00 0.00 O ATOM 95 OP2 DG A 4 8.668 4.351 5.614 1.00 0.00 O ATOM 96 O5' DG A 4 6.908 5.035 7.281 1.00 0.00 O ATOM 97 C5' DG A 4 7.841 4.978 8.348 1.00 0.00 C ATOM 98 C4' DG A 4 7.185 4.402 9.602 1.00 0.00 C ATOM 99 O4' DG A 4 6.743 3.074 9.403 1.00 0.00 O ATOM 100 C3' DG A 4 8.160 4.330 10.789 1.00 0.00 C ATOM 101 O3' DG A 4 8.207 5.538 11.555 1.00 0.00 O ATOM 102 C2' DG A 4 7.752 3.034 11.508 1.00 0.00 C ATOM 103 C1' DG A 4 6.555 2.537 10.694 1.00 0.00 C ATOM 104 N9 DG A 4 6.402 1.062 10.644 1.00 0.00 N ATOM 105 C8 DG A 4 7.362 0.078 10.635 1.00 0.00 C ATOM 106 N7 DG A 4 6.888 -1.135 10.607 1.00 0.00 N ATOM 107 C5 DG A 4 5.509 -0.956 10.580 1.00 0.00 C ATOM 108 C6 DG A 4 4.452 -1.921 10.507 1.00 0.00 C ATOM 109 O6 DG A 4 4.532 -3.147 10.482 1.00 0.00 O ATOM 110 N1 DG A 4 3.195 -1.326 10.442 1.00 0.00 N ATOM 111 C2 DG A 4 2.977 0.036 10.488 1.00 0.00 C ATOM 112 N2 DG A 4 1.711 0.438 10.416 1.00 0.00 N ATOM 113 N3 DG A 4 3.959 0.945 10.595 1.00 0.00 N ATOM 114 C4 DG A 4 5.205 0.388 10.614 1.00 0.00 C ATOM 0 H5' DG A 4 8.225 5.977 8.557 1.00 0.00 H new ATOM 0 H5'' DG A 4 8.694 4.363 8.061 1.00 0.00 H new ATOM 0 H4' DG A 4 6.354 5.076 9.812 1.00 0.00 H new ATOM 0 H3' DG A 4 9.212 4.272 10.509 1.00 0.00 H new ATOM 0 H2' DG A 4 8.563 2.306 11.515 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.482 3.219 12.548 1.00 0.00 H new ATOM 0 H1' DG A 4 5.630 2.866 11.169 1.00 0.00 H new ATOM 0 H8 DG A 4 8.420 0.293 10.650 1.00 0.00 H new ATOM 0 H1 DG A 4 2.382 -1.936 10.355 1.00 0.00 H new ATOM 0 H21 DG A 4 1.489 1.433 10.445 1.00 0.00 H new ATOM 0 H22 DG A 4 0.962 -0.249 10.332 1.00 0.00 H new ATOM 126 P DC A 5 7.072 6.078 12.589 1.00 0.00 P ATOM 127 OP1 DC A 5 5.734 5.847 12.000 1.00 0.00 O ATOM 128 OP2 DC A 5 7.442 7.457 12.976 1.00 0.00 O ATOM 129 O5' DC A 5 7.250 5.145 13.899 1.00 0.00 O ATOM 130 C5' DC A 5 6.395 5.215 15.029 1.00 0.00 C ATOM 131 C4' DC A 5 4.968 4.749 14.722 1.00 0.00 C ATOM 132 O4' DC A 5 4.996 3.530 14.018 1.00 0.00 O ATOM 133 C3' DC A 5 4.129 4.527 15.984 1.00 0.00 C ATOM 134 O3' DC A 5 3.262 5.632 16.189 1.00 0.00 O ATOM 135 C2' DC A 5 3.388 3.221 15.686 1.00 0.00 C ATOM 136 C1' DC A 5 3.771 2.880 14.246 1.00 0.00 C ATOM 137 N1 DC A 5 3.888 1.410 14.061 1.00 0.00 N ATOM 138 C2 DC A 5 2.718 0.686 13.819 1.00 0.00 C ATOM 139 O2 DC A 5 1.637 1.258 13.702 1.00 0.00 O ATOM 140 N3 DC A 5 2.791 -0.672 13.730 1.00 0.00 N ATOM 141 C4 DC A 5 3.960 -1.314 13.861 1.00 0.00 C ATOM 142 N4 DC A 5 3.962 -2.648 13.775 1.00 0.00 N ATOM 143 C5 DC A 5 5.183 -0.590 14.092 1.00 0.00 C ATOM 144 C6 DC A 5 5.098 0.763 14.188 1.00 0.00 C ATOM 0 H5' DC A 5 6.367 6.241 15.395 1.00 0.00 H new ATOM 0 H5'' DC A 5 6.808 4.602 15.830 1.00 0.00 H new ATOM 0 H4' DC A 5 4.514 5.545 14.132 1.00 0.00 H new ATOM 0 H3' DC A 5 4.706 4.453 16.906 1.00 0.00 H new ATOM 0 H2' DC A 5 3.687 2.430 16.374 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.310 3.344 15.791 1.00 0.00 H new ATOM 0 H1' DC A 5 3.012 3.209 13.536 1.00 0.00 H new ATOM 0 H41 DC A 5 4.837 -3.164 13.871 1.00 0.00 H new ATOM 0 H42 DC A 5 3.089 -3.150 13.614 1.00 0.00 H new ATOM 0 H5 DC A 5 6.130 -1.101 14.185 1.00 0.00 H new ATOM 0 H6 DC A 5 5.993 1.340 14.367 1.00 0.00 H new ATOM 156 P DG A 6 2.302 5.763 17.488 1.00 0.00 P ATOM 157 OP1 DG A 6 2.008 7.197 17.702 1.00 0.00 O ATOM 158 OP2 DG A 6 2.871 4.957 18.591 1.00 0.00 O ATOM 159 O5' DG A 6 0.941 5.034 17.030 1.00 0.00 O ATOM 160 C5' DG A 6 0.154 5.524 15.966 1.00 0.00 C ATOM 161 C4' DG A 6 -1.185 4.782 15.952 1.00 0.00 C ATOM 162 O4' DG A 6 -1.976 5.236 14.864 1.00 0.00 O ATOM 163 C3' DG A 6 -1.058 3.272 15.753 1.00 0.00 C ATOM 164 O3' DG A 6 -2.257 2.676 16.220 1.00 0.00 O ATOM 165 C2' DG A 6 -0.965 3.165 14.242 1.00 0.00 C ATOM 166 C1' DG A 6 -1.929 4.276 13.817 1.00 0.00 C ATOM 167 N9 DG A 6 -1.564 4.935 12.541 1.00 0.00 N ATOM 168 C8 DG A 6 -0.373 5.516 12.178 1.00 0.00 C ATOM 169 N7 DG A 6 -0.353 5.981 10.960 1.00 0.00 N ATOM 170 C5 DG A 6 -1.613 5.665 10.461 1.00 0.00 C ATOM 171 C6 DG A 6 -2.166 5.876 9.156 1.00 0.00 C ATOM 172 O6 DG A 6 -1.636 6.417 8.189 1.00 0.00 O ATOM 173 N1 DG A 6 -3.457 5.366 9.030 1.00 0.00 N ATOM 174 C2 DG A 6 -4.141 4.732 10.051 1.00 0.00 C ATOM 175 N2 DG A 6 -5.363 4.275 9.768 1.00 0.00 N ATOM 176 N3 DG A 6 -3.632 4.542 11.281 1.00 0.00 N ATOM 177 C4 DG A 6 -2.363 5.027 11.424 1.00 0.00 C ATOM 0 H5' DG A 6 0.673 5.382 15.018 1.00 0.00 H new ATOM 0 H5'' DG A 6 -0.011 6.595 16.082 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.626 4.984 16.928 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.225 2.794 16.268 1.00 0.00 H new ATOM 0 H2' DG A 6 0.048 3.335 13.877 1.00 0.00 H new ATOM 0 H2'' DG A 6 -1.276 2.186 13.877 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.903 3.820 13.640 1.00 0.00 H new ATOM 0 H8 DG A 6 0.474 5.582 12.845 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.926 5.467 8.130 1.00 0.00 H new ATOM 0 H21 DG A 6 -5.909 3.800 10.487 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.751 4.401 8.833 1.00 0.00 H new ATOM 189 P DT A 7 -2.310 1.630 17.446 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.648 1.714 18.070 1.00 0.00 O ATOM 191 OP2 DT A 7 -1.097 1.799 18.282 1.00 0.00 O ATOM 192 O5' DT A 7 -2.204 0.223 16.679 1.00 0.00 O ATOM 193 C5' DT A 7 -3.146 -0.179 15.700 1.00 0.00 C ATOM 194 C4' DT A 7 -3.295 -1.705 15.662 1.00 0.00 C ATOM 195 O4' DT A 7 -2.066 -2.302 15.282 1.00 0.00 O ATOM 196 C3' DT A 7 -3.682 -2.279 17.033 1.00 0.00 C ATOM 197 O3' DT A 7 -4.666 -3.300 16.948 1.00 0.00 O ATOM 198 C2' DT A 7 -2.372 -2.835 17.575 1.00 0.00 C ATOM 199 C1' DT A 7 -1.578 -3.149 16.306 1.00 0.00 C ATOM 200 N1 DT A 7 -0.112 -2.967 16.514 1.00 0.00 N ATOM 201 C2 DT A 7 0.656 -4.089 16.849 1.00 0.00 C ATOM 202 O2 DT A 7 0.219 -5.237 16.828 1.00 0.00 O ATOM 203 N3 DT A 7 1.970 -3.847 17.239 1.00 0.00 N ATOM 204 C4 DT A 7 2.570 -2.597 17.353 1.00 0.00 C ATOM 205 O4 DT A 7 3.735 -2.512 17.736 1.00 0.00 O ATOM 206 C5 DT A 7 1.708 -1.482 16.988 1.00 0.00 C ATOM 207 C7 DT A 7 2.225 -0.058 17.090 1.00 0.00 C ATOM 208 C6 DT A 7 0.436 -1.702 16.569 1.00 0.00 C ATOM 0 H5' DT A 7 -2.832 0.182 14.721 1.00 0.00 H new ATOM 0 H5'' DT A 7 -4.113 0.278 15.913 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.083 -1.927 14.943 1.00 0.00 H new ATOM 0 H3' DT A 7 -4.131 -1.519 17.672 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.856 -2.110 18.204 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.532 -3.727 18.181 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.712 -4.194 16.028 1.00 0.00 H new ATOM 0 H3 DT A 7 2.545 -4.660 17.461 1.00 0.00 H new ATOM 0 H71 DT A 7 1.736 0.561 16.338 1.00 0.00 H new ATOM 0 H72 DT A 7 2.009 0.337 18.083 1.00 0.00 H new ATOM 0 H73 DT A 7 3.302 -0.049 16.922 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.168 -0.858 16.268 1.00 0.00 H new ATOM 221 P DG A 8 -6.235 -2.970 16.686 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.500 -1.572 17.097 1.00 0.00 O ATOM 223 OP2 DG A 8 -7.037 -4.066 17.272 1.00 0.00 O ATOM 224 O5' DG A 8 -6.376 -3.046 15.079 1.00 0.00 O ATOM 225 C5' DG A 8 -6.407 -4.284 14.396 1.00 0.00 C ATOM 226 C4' DG A 8 -6.045 -4.077 12.924 1.00 0.00 C ATOM 227 O4' DG A 8 -4.749 -3.532 12.807 1.00 0.00 O ATOM 228 C3' DG A 8 -6.019 -5.377 12.126 1.00 0.00 C ATOM 229 O3' DG A 8 -7.302 -5.737 11.653 1.00 0.00 O ATOM 230 C2' DG A 8 -5.091 -5.013 10.974 1.00 0.00 C ATOM 231 C1' DG A 8 -4.157 -3.966 11.597 1.00 0.00 C ATOM 232 N9 DG A 8 -2.802 -4.459 11.946 1.00 0.00 N ATOM 233 C8 DG A 8 -2.341 -5.737 12.134 1.00 0.00 C ATOM 234 N7 DG A 8 -1.106 -5.809 12.551 1.00 0.00 N ATOM 235 C5 DG A 8 -0.709 -4.480 12.660 1.00 0.00 C ATOM 236 C6 DG A 8 0.531 -3.904 13.095 1.00 0.00 C ATOM 237 O6 DG A 8 1.560 -4.464 13.467 1.00 0.00 O ATOM 238 N1 DG A 8 0.501 -2.513 13.081 1.00 0.00 N ATOM 239 C2 DG A 8 -0.594 -1.765 12.702 1.00 0.00 C ATOM 240 N2 DG A 8 -0.500 -0.449 12.842 1.00 0.00 N ATOM 241 N3 DG A 8 -1.747 -2.291 12.269 1.00 0.00 N ATOM 242 C4 DG A 8 -1.744 -3.652 12.278 1.00 0.00 C ATOM 0 H5' DG A 8 -7.399 -4.729 14.476 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.707 -4.981 14.857 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.816 -3.414 12.531 1.00 0.00 H new ATOM 0 H3' DG A 8 -5.695 -6.238 12.710 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.539 -5.880 10.611 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.642 -4.608 10.125 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.241 -6.573 11.146 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.032 -3.188 10.844 1.00 0.00 H new ATOM 0 H8 DG A 8 -2.949 -6.611 11.952 1.00 0.00 H new ATOM 0 H1 DG A 8 1.343 -2.015 13.370 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.282 0.149 12.576 1.00 0.00 H new ATOM 0 H22 DG A 8 0.354 -0.036 13.215 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 9.010 2.188 7.042 1.00 0.00 NA HETATM 257 NA NA A 102 0.992 3.130 18.806 1.00 0.00 NA HETATM 258 NA NA A 103 -6.284 0.285 2.613 1.00 0.00 NA HETATM 259 NA NA A 104 -5.897 0.690 17.889 1.00 0.00 NA HETATM 260 NA NA A 105 5.188 8.427 12.336 1.00 0.00 NA HETATM 261 NA NA A 106 4.087 5.530 3.894 1.00 0.00 NA HETATM 262 NA NA A 107 0.903 5.918 8.568 1.00 0.00 NA