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=-0.000197 (180deg=-0.741) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.467 (180deg=-0.467) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -5.200 -5.029 6.389 1.00 0.00 O ATOM 2 C5' DC A 1 -5.971 -4.101 7.126 1.00 0.00 C ATOM 3 C4' DC A 1 -5.119 -2.916 7.600 1.00 0.00 C ATOM 4 O4' DC A 1 -4.055 -3.366 8.420 1.00 0.00 O ATOM 5 C3' DC A 1 -4.490 -2.119 6.446 1.00 0.00 C ATOM 6 O3' DC A 1 -5.023 -0.802 6.459 1.00 0.00 O ATOM 7 C2' DC A 1 -2.997 -2.148 6.775 1.00 0.00 C ATOM 8 C1' DC A 1 -2.979 -2.463 8.269 1.00 0.00 C ATOM 9 N1 DC A 1 -1.671 -3.032 8.707 1.00 0.00 N ATOM 10 C2 DC A 1 -0.647 -2.148 9.078 1.00 0.00 C ATOM 11 O2 DC A 1 -0.813 -0.929 9.048 1.00 0.00 O ATOM 12 N3 DC A 1 0.553 -2.660 9.481 1.00 0.00 N ATOM 13 C4 DC A 1 0.760 -3.984 9.534 1.00 0.00 C ATOM 14 N4 DC A 1 1.954 -4.433 9.929 1.00 0.00 N ATOM 15 C5 DC A 1 -0.277 -4.911 9.176 1.00 0.00 C ATOM 16 C6 DC A 1 -1.465 -4.394 8.773 1.00 0.00 C ATOM 0 H5' DC A 1 -6.416 -4.599 7.988 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.792 -3.737 6.509 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.805 -2.268 8.145 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.686 -2.517 5.450 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.471 -2.907 6.196 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.518 -1.193 6.558 1.00 0.00 H new ATOM 0 HO5' DC A 1 -5.770 -5.773 6.102 1.00 0.00 H new ATOM 0 H1' DC A 1 -3.091 -1.579 8.897 1.00 0.00 H new ATOM 0 H41 DC A 1 2.131 -5.436 9.976 1.00 0.00 H new ATOM 0 H42 DC A 1 2.688 -3.773 10.184 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.117 -5.978 9.226 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.267 -5.064 8.498 1.00 0.00 H new ATOM 29 P DT A 2 -5.002 0.173 5.166 1.00 0.00 P ATOM 30 OP1 DT A 2 -6.101 1.150 5.327 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.949 -0.645 3.932 1.00 0.00 O ATOM 32 O5' DT A 2 -3.610 0.962 5.317 1.00 0.00 O ATOM 33 C5' DT A 2 -3.314 2.114 4.549 1.00 0.00 C ATOM 34 C4' DT A 2 -1.957 2.705 4.959 1.00 0.00 C ATOM 35 O4' DT A 2 -2.044 3.202 6.289 1.00 0.00 O ATOM 36 C3' DT A 2 -0.830 1.666 4.888 1.00 0.00 C ATOM 37 O3' DT A 2 0.286 2.168 4.147 1.00 0.00 O ATOM 38 C2' DT A 2 -0.630 1.303 6.360 1.00 0.00 C ATOM 39 C1' DT A 2 -1.086 2.552 7.105 1.00 0.00 C ATOM 40 N1 DT A 2 -1.607 2.261 8.461 1.00 0.00 N ATOM 41 C2 DT A 2 -0.810 2.533 9.573 1.00 0.00 C ATOM 42 O2 DT A 2 0.283 3.095 9.501 1.00 0.00 O ATOM 43 N3 DT A 2 -1.317 2.127 10.803 1.00 0.00 N ATOM 44 C4 DT A 2 -2.555 1.529 11.017 1.00 0.00 C ATOM 45 O4 DT A 2 -2.916 1.266 12.162 1.00 0.00 O ATOM 46 C5 DT A 2 -3.316 1.271 9.805 1.00 0.00 C ATOM 47 C7 DT A 2 -4.670 0.591 9.894 1.00 0.00 C ATOM 48 C6 DT A 2 -2.817 1.637 8.596 1.00 0.00 C ATOM 0 H5' DT A 2 -4.097 2.860 4.686 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.300 1.857 3.490 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.720 3.507 4.259 1.00 0.00 H new ATOM 0 H3' DT A 2 -1.033 0.756 4.323 1.00 0.00 H new ATOM 0 H2' DT A 2 -1.220 0.431 6.641 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.412 1.066 6.576 1.00 0.00 H new ATOM 0 H1' DT A 2 -0.231 3.205 7.280 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.728 2.282 11.622 1.00 0.00 H new ATOM 0 H71 DT A 2 -4.686 -0.077 10.755 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.449 1.345 10.005 1.00 0.00 H new ATOM 0 H73 DT A 2 -4.849 0.016 8.985 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.396 1.428 7.709 1.00 0.00 H new ATOM 61 P DT A 3 1.431 3.191 4.681 1.00 0.00 P ATOM 62 OP1 DT A 3 0.799 4.309 5.419 1.00 0.00 O ATOM 63 OP2 DT A 3 2.321 3.499 3.540 1.00 0.00 O ATOM 64 O5' DT A 3 2.272 2.258 5.695 1.00 0.00 O ATOM 65 C5' DT A 3 2.628 2.648 7.009 1.00 0.00 C ATOM 66 C4' DT A 3 4.151 2.639 7.221 1.00 0.00 C ATOM 67 O4' DT A 3 4.508 1.405 7.816 1.00 0.00 O ATOM 68 C3' DT A 3 5.016 2.769 5.955 1.00 0.00 C ATOM 69 O3' DT A 3 6.258 3.416 6.193 1.00 0.00 O ATOM 70 C2' DT A 3 5.242 1.314 5.550 1.00 0.00 C ATOM 71 C1' DT A 3 5.210 0.590 6.899 1.00 0.00 C ATOM 72 N1 DT A 3 4.593 -0.768 6.852 1.00 0.00 N ATOM 73 C2 DT A 3 5.381 -1.875 7.189 1.00 0.00 C ATOM 74 O2 DT A 3 6.563 -1.789 7.516 1.00 0.00 O ATOM 75 N3 DT A 3 4.761 -3.119 7.132 1.00 0.00 N ATOM 76 C4 DT A 3 3.446 -3.358 6.747 1.00 0.00 C ATOM 77 O4 DT A 3 3.012 -4.508 6.738 1.00 0.00 O ATOM 78 C5 DT A 3 2.704 -2.163 6.376 1.00 0.00 C ATOM 79 C7 DT A 3 1.264 -2.283 5.904 1.00 0.00 C ATOM 80 C6 DT A 3 3.285 -0.937 6.442 1.00 0.00 C ATOM 0 H5' DT A 3 2.158 1.975 7.726 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.240 3.647 7.208 1.00 0.00 H new ATOM 0 H4' DT A 3 4.350 3.520 7.831 1.00 0.00 H new ATOM 0 H3' DT A 3 4.532 3.380 5.193 1.00 0.00 H new ATOM 0 H2' DT A 3 4.464 0.954 4.877 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.195 1.178 5.038 1.00 0.00 H new ATOM 0 H1' DT A 3 6.243 0.428 7.205 1.00 0.00 H new ATOM 0 H3 DT A 3 5.321 -3.929 7.396 1.00 0.00 H new ATOM 0 H71 DT A 3 0.717 -1.380 6.173 1.00 0.00 H new ATOM 0 H72 DT A 3 1.245 -2.410 4.822 1.00 0.00 H new ATOM 0 H73 DT A 3 0.796 -3.145 6.379 1.00 0.00 H new ATOM 0 H6 DT A 3 2.707 -0.068 6.165 1.00 0.00 H new ATOM 93 P DG A 4 6.422 5.028 6.119 1.00 0.00 P ATOM 94 OP1 DG A 4 5.396 5.574 5.201 1.00 0.00 O ATOM 95 OP2 DG A 4 7.851 5.326 5.871 1.00 0.00 O ATOM 96 O5' DG A 4 6.053 5.511 7.614 1.00 0.00 O ATOM 97 C5' DG A 4 6.995 5.477 8.673 1.00 0.00 C ATOM 98 C4' DG A 4 6.334 4.917 9.931 1.00 0.00 C ATOM 99 O4' DG A 4 5.991 3.562 9.719 1.00 0.00 O ATOM 100 C3' DG A 4 7.265 4.939 11.152 1.00 0.00 C ATOM 101 O3' DG A 4 6.650 5.705 12.178 1.00 0.00 O ATOM 102 C2' DG A 4 7.377 3.459 11.520 1.00 0.00 C ATOM 103 C1' DG A 4 6.069 2.907 10.960 1.00 0.00 C ATOM 104 N9 DG A 4 6.048 1.440 10.766 1.00 0.00 N ATOM 105 C8 DG A 4 7.087 0.543 10.705 1.00 0.00 C ATOM 106 N7 DG A 4 6.715 -0.704 10.619 1.00 0.00 N ATOM 107 C5 DG A 4 5.325 -0.640 10.606 1.00 0.00 C ATOM 108 C6 DG A 4 4.346 -1.678 10.460 1.00 0.00 C ATOM 109 O6 DG A 4 4.517 -2.892 10.357 1.00 0.00 O ATOM 110 N1 DG A 4 3.048 -1.180 10.410 1.00 0.00 N ATOM 111 C2 DG A 4 2.728 0.156 10.515 1.00 0.00 C ATOM 112 N2 DG A 4 1.447 0.474 10.363 1.00 0.00 N ATOM 113 N3 DG A 4 3.630 1.130 10.712 1.00 0.00 N ATOM 114 C4 DG A 4 4.912 0.668 10.733 1.00 0.00 C ATOM 0 H5' DG A 4 7.376 6.480 8.866 1.00 0.00 H new ATOM 0 H5'' DG A 4 7.849 4.860 8.394 1.00 0.00 H new ATOM 0 H4' DG A 4 5.466 5.547 10.126 1.00 0.00 H new ATOM 0 H3' DG A 4 8.244 5.388 10.982 1.00 0.00 H new ATOM 0 H2' DG A 4 8.249 2.988 11.066 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.458 3.309 12.597 1.00 0.00 H new ATOM 0 H1' DG A 4 5.238 3.080 11.643 1.00 0.00 H new ATOM 0 H8 DG A 4 8.124 0.845 10.726 1.00 0.00 H new ATOM 0 H1 DG A 4 2.285 -1.846 10.288 1.00 0.00 H new ATOM 0 H21 DG A 4 1.152 1.448 10.430 1.00 0.00 H new ATOM 0 H22 DG A 4 0.759 -0.256 10.179 1.00 0.00 H new ATOM 126 P DC A 5 7.488 6.342 13.407 1.00 0.00 P ATOM 127 OP1 DC A 5 6.600 7.301 14.107 1.00 0.00 O ATOM 128 OP2 DC A 5 8.802 6.796 12.901 1.00 0.00 O ATOM 129 O5' DC A 5 7.726 5.065 14.373 1.00 0.00 O ATOM 130 C5' DC A 5 6.820 4.711 15.403 1.00 0.00 C ATOM 131 C4' DC A 5 5.430 4.318 14.885 1.00 0.00 C ATOM 132 O4' DC A 5 5.440 3.078 14.214 1.00 0.00 O ATOM 133 C3' DC A 5 4.451 4.172 16.048 1.00 0.00 C ATOM 134 O3' DC A 5 3.633 5.324 16.076 1.00 0.00 O ATOM 135 C2' DC A 5 3.693 2.880 15.745 1.00 0.00 C ATOM 136 C1' DC A 5 4.155 2.502 14.338 1.00 0.00 C ATOM 137 N1 DC A 5 4.183 1.022 14.164 1.00 0.00 N ATOM 138 C2 DC A 5 2.978 0.360 13.891 1.00 0.00 C ATOM 139 O2 DC A 5 1.925 0.981 13.761 1.00 0.00 O ATOM 140 N3 DC A 5 2.986 -1.000 13.782 1.00 0.00 N ATOM 141 C4 DC A 5 4.118 -1.702 13.923 1.00 0.00 C ATOM 142 N4 DC A 5 4.062 -3.032 13.821 1.00 0.00 N ATOM 143 C5 DC A 5 5.371 -1.046 14.183 1.00 0.00 C ATOM 144 C6 DC A 5 5.355 0.306 14.295 1.00 0.00 C ATOM 0 H5' DC A 5 6.719 5.550 16.092 1.00 0.00 H new ATOM 0 H5'' DC A 5 7.236 3.880 15.972 1.00 0.00 H new ATOM 0 H4' DC A 5 5.131 5.110 14.199 1.00 0.00 H new ATOM 0 H3' DC A 5 4.907 4.103 17.036 1.00 0.00 H new ATOM 0 H2' DC A 5 3.931 2.099 16.467 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.614 3.032 15.784 1.00 0.00 H new ATOM 0 H1' DC A 5 3.479 2.867 13.565 1.00 0.00 H new ATOM 0 H41 DC A 5 4.911 -3.588 13.925 1.00 0.00 H new ATOM 0 H42 DC A 5 3.170 -3.492 13.639 1.00 0.00 H new ATOM 0 H5 DC A 5 6.288 -1.607 14.285 1.00 0.00 H new ATOM 0 H6 DC A 5 6.278 0.832 14.491 1.00 0.00 H new ATOM 156 P DG A 6 2.677 5.687 17.324 1.00 0.00 P ATOM 157 OP1 DG A 6 2.517 7.158 17.341 1.00 0.00 O ATOM 158 OP2 DG A 6 3.157 4.979 18.533 1.00 0.00 O ATOM 159 O5' DG A 6 1.285 5.012 16.894 1.00 0.00 O ATOM 160 C5' DG A 6 0.566 5.466 15.770 1.00 0.00 C ATOM 161 C4' DG A 6 -0.784 4.752 15.735 1.00 0.00 C ATOM 162 O4' DG A 6 -1.541 5.219 14.633 1.00 0.00 O ATOM 163 C3' DG A 6 -0.697 3.242 15.542 1.00 0.00 C ATOM 164 O3' DG A 6 -1.938 2.697 15.955 1.00 0.00 O ATOM 165 C2' DG A 6 -0.541 3.125 14.036 1.00 0.00 C ATOM 166 C1' DG A 6 -1.443 4.276 13.576 1.00 0.00 C ATOM 167 N9 DG A 6 -1.014 4.971 12.337 1.00 0.00 N ATOM 168 C8 DG A 6 0.220 5.470 11.985 1.00 0.00 C ATOM 169 N7 DG A 6 0.253 6.014 10.800 1.00 0.00 N ATOM 170 C5 DG A 6 -1.043 5.854 10.314 1.00 0.00 C ATOM 171 C6 DG A 6 -1.613 6.208 9.047 1.00 0.00 C ATOM 172 O6 DG A 6 -1.071 6.770 8.098 1.00 0.00 O ATOM 173 N1 DG A 6 -2.947 5.820 8.926 1.00 0.00 N ATOM 174 C2 DG A 6 -3.659 5.177 9.922 1.00 0.00 C ATOM 175 N2 DG A 6 -4.925 4.850 9.651 1.00 0.00 N ATOM 176 N3 DG A 6 -3.136 4.863 11.119 1.00 0.00 N ATOM 177 C4 DG A 6 -1.826 5.221 11.254 1.00 0.00 C ATOM 0 H5' DG A 6 1.125 5.264 14.856 1.00 0.00 H new ATOM 0 H5'' DG A 6 0.422 6.545 15.823 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.231 4.965 16.706 1.00 0.00 H new ATOM 0 H3' DG A 6 0.097 2.736 16.091 1.00 0.00 H new ATOM 0 H2' DG A 6 0.493 3.253 13.714 1.00 0.00 H new ATOM 0 H2'' DG A 6 -0.875 2.159 13.658 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.403 3.823 13.327 1.00 0.00 H new ATOM 0 H8 DG A 6 1.083 5.416 12.632 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.427 6.023 8.049 1.00 0.00 H new ATOM 0 H21 DG A 6 -5.491 4.374 10.354 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.326 5.076 8.741 1.00 0.00 H new ATOM 189 P DT A 7 -2.096 1.728 17.231 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.438 1.949 17.816 1.00 0.00 O ATOM 191 OP2 DT A 7 -0.891 1.835 18.085 1.00 0.00 O ATOM 192 O5' DT A 7 -2.092 0.290 16.518 1.00 0.00 O ATOM 193 C5' DT A 7 -3.035 -0.059 15.519 1.00 0.00 C ATOM 194 C4' DT A 7 -3.312 -1.566 15.524 1.00 0.00 C ATOM 195 O4' DT A 7 -2.136 -2.275 15.169 1.00 0.00 O ATOM 196 C3' DT A 7 -3.756 -2.056 16.909 1.00 0.00 C ATOM 197 O3' DT A 7 -4.853 -2.956 16.865 1.00 0.00 O ATOM 198 C2' DT A 7 -2.516 -2.741 17.468 1.00 0.00 C ATOM 199 C1' DT A 7 -1.735 -3.139 16.215 1.00 0.00 C ATOM 200 N1 DT A 7 -0.263 -3.068 16.445 1.00 0.00 N ATOM 201 C2 DT A 7 0.408 -4.242 16.810 1.00 0.00 C ATOM 202 O2 DT A 7 -0.109 -5.356 16.766 1.00 0.00 O ATOM 203 N3 DT A 7 1.715 -4.094 17.264 1.00 0.00 N ATOM 204 C4 DT A 7 2.396 -2.890 17.412 1.00 0.00 C ATOM 205 O4 DT A 7 3.540 -2.886 17.860 1.00 0.00 O ATOM 206 C5 DT A 7 1.637 -1.717 16.999 1.00 0.00 C ATOM 207 C7 DT A 7 2.246 -0.332 17.129 1.00 0.00 C ATOM 208 C6 DT A 7 0.375 -1.846 16.515 1.00 0.00 C ATOM 0 H5' DT A 7 -2.661 0.242 14.540 1.00 0.00 H new ATOM 0 H5'' DT A 7 -3.965 0.485 15.686 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.111 -1.748 14.805 1.00 0.00 H new ATOM 0 H3' DT A 7 -4.114 -1.229 17.522 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.939 -2.070 18.105 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.775 -3.610 18.073 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.952 -4.174 15.951 1.00 0.00 H new ATOM 0 H3 DT A 7 2.219 -4.946 17.511 1.00 0.00 H new ATOM 0 H71 DT A 7 1.844 0.317 16.351 1.00 0.00 H new ATOM 0 H72 DT A 7 2.003 0.082 18.108 1.00 0.00 H new ATOM 0 H73 DT A 7 3.329 -0.399 17.022 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.146 -0.964 16.174 1.00 0.00 H new ATOM 221 P DG A 8 -6.368 -2.462 16.558 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.465 -1.013 16.851 1.00 0.00 O ATOM 223 OP2 DG A 8 -7.301 -3.403 17.213 1.00 0.00 O ATOM 224 O5' DG A 8 -6.500 -2.650 14.962 1.00 0.00 O ATOM 225 C5' DG A 8 -6.596 -3.935 14.376 1.00 0.00 C ATOM 226 C4' DG A 8 -6.156 -3.866 12.913 1.00 0.00 C ATOM 227 O4' DG A 8 -4.827 -3.401 12.812 1.00 0.00 O ATOM 228 C3' DG A 8 -6.155 -5.228 12.224 1.00 0.00 C ATOM 229 O3' DG A 8 -7.439 -5.599 11.767 1.00 0.00 O ATOM 230 C2' DG A 8 -5.208 -4.961 11.059 1.00 0.00 C ATOM 231 C1' DG A 8 -4.245 -3.907 11.626 1.00 0.00 C ATOM 232 N9 DG A 8 -2.901 -4.418 11.989 1.00 0.00 N ATOM 233 C8 DG A 8 -2.480 -5.701 12.241 1.00 0.00 C ATOM 234 N7 DG A 8 -1.243 -5.792 12.639 1.00 0.00 N ATOM 235 C5 DG A 8 -0.802 -4.473 12.671 1.00 0.00 C ATOM 236 C6 DG A 8 0.462 -3.927 13.068 1.00 0.00 C ATOM 237 O6 DG A 8 1.464 -4.518 13.461 1.00 0.00 O ATOM 238 N1 DG A 8 0.488 -2.536 12.990 1.00 0.00 N ATOM 239 C2 DG A 8 -0.581 -1.762 12.586 1.00 0.00 C ATOM 240 N2 DG A 8 -0.430 -0.443 12.668 1.00 0.00 N ATOM 241 N3 DG A 8 -1.759 -2.267 12.184 1.00 0.00 N ATOM 242 C4 DG A 8 -1.809 -3.628 12.259 1.00 0.00 C ATOM 0 H5' DG A 8 -7.621 -4.300 14.441 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.971 -4.642 14.921 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.874 -3.199 12.437 1.00 0.00 H new ATOM 0 H3' DG A 8 -5.860 -6.051 12.875 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.681 -5.865 10.753 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.741 -4.590 10.183 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.391 -6.476 11.332 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.100 -3.166 10.840 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.121 -6.562 12.119 1.00 0.00 H new ATOM 0 H1 DG A 8 1.352 -2.059 13.248 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.189 0.176 12.382 1.00 0.00 H new ATOM 0 H22 DG A 8 0.445 -0.051 13.016 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 10.001 5.181 7.063 1.00 0.00 NA HETATM 257 NA NA A 102 1.114 3.221 18.791 1.00 0.00 NA HETATM 258 NA NA A 103 -7.178 0.339 3.099 1.00 0.00 NA HETATM 259 NA NA A 104 -5.790 1.272 17.486 1.00 0.00 NA HETATM 260 NA NA A 105 4.622 7.727 15.664 1.00 0.00 NA HETATM 261 NA NA A 106 3.713 5.538 3.385 1.00 0.00 NA HETATM 262 NA NA A 107 1.040 5.495 7.715 1.00 0.00 NA