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 (180deg=0) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc=-0.00554 (180deg=-0.00554) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 0.328 -6.199 17.233 1.00 0.00 O ATOM 2 C5' DC A 1 0.908 -5.017 16.720 1.00 0.00 C ATOM 3 C4' DC A 1 -0.093 -4.234 15.858 1.00 0.00 C ATOM 4 O4' DC A 1 0.554 -3.055 15.401 1.00 0.00 O ATOM 5 C3' DC A 1 -0.561 -5.005 14.616 1.00 0.00 C ATOM 6 O3' DC A 1 -1.882 -4.590 14.298 1.00 0.00 O ATOM 7 C2' DC A 1 0.443 -4.533 13.572 1.00 0.00 C ATOM 8 C1' DC A 1 0.615 -3.071 13.984 1.00 0.00 C ATOM 9 N1 DC A 1 1.869 -2.478 13.436 1.00 0.00 N ATOM 10 C2 DC A 1 1.807 -1.833 12.195 1.00 0.00 C ATOM 11 O2 DC A 1 0.748 -1.745 11.580 1.00 0.00 O ATOM 12 N3 DC A 1 2.948 -1.302 11.667 1.00 0.00 N ATOM 13 C4 DC A 1 4.119 -1.391 12.312 1.00 0.00 C ATOM 14 N4 DC A 1 5.203 -0.846 11.751 1.00 0.00 N ATOM 15 C5 DC A 1 4.213 -2.061 13.584 1.00 0.00 C ATOM 16 C6 DC A 1 3.072 -2.588 14.100 1.00 0.00 C ATOM 0 H5' DC A 1 1.785 -5.269 16.124 1.00 0.00 H new ATOM 0 H5'' DC A 1 1.251 -4.390 17.543 1.00 0.00 H new ATOM 0 H4' DC A 1 -0.967 -4.036 16.478 1.00 0.00 H new ATOM 0 H3' DC A 1 -0.595 -6.090 14.714 1.00 0.00 H new ATOM 0 H2' DC A 1 1.380 -5.089 13.618 1.00 0.00 H new ATOM 0 H2'' DC A 1 0.062 -4.634 12.556 1.00 0.00 H new ATOM 0 HO5' DC A 1 0.988 -6.678 17.776 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.172 -2.442 13.568 1.00 0.00 H new ATOM 0 H41 DC A 1 6.105 -0.902 12.224 1.00 0.00 H new ATOM 0 H42 DC A 1 5.128 -0.374 10.850 1.00 0.00 H new ATOM 0 H5 DC A 1 5.154 -2.141 14.107 1.00 0.00 H new ATOM 0 H6 DC A 1 3.108 -3.103 15.049 1.00 0.00 H new ATOM 29 P DT A 2 -2.955 -5.544 13.551 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.278 -4.889 13.676 1.00 0.00 O ATOM 31 OP2 DT A 2 -2.780 -6.937 14.016 1.00 0.00 O ATOM 32 O5' DT A 2 -2.523 -5.462 11.999 1.00 0.00 O ATOM 33 C5' DT A 2 -3.357 -5.968 10.968 1.00 0.00 C ATOM 34 C4' DT A 2 -3.234 -5.117 9.694 1.00 0.00 C ATOM 35 O4' DT A 2 -3.579 -3.774 10.018 1.00 0.00 O ATOM 36 C3' DT A 2 -1.807 -5.116 9.119 1.00 0.00 C ATOM 37 O3' DT A 2 -1.701 -5.327 7.701 1.00 0.00 O ATOM 38 C2' DT A 2 -1.256 -3.778 9.609 1.00 0.00 C ATOM 39 C1' DT A 2 -2.504 -2.912 9.680 1.00 0.00 C ATOM 40 N1 DT A 2 -2.342 -1.777 10.623 1.00 0.00 N ATOM 41 C2 DT A 2 -1.886 -0.561 10.107 1.00 0.00 C ATOM 42 O2 DT A 2 -1.680 -0.372 8.909 1.00 0.00 O ATOM 43 N3 DT A 2 -1.678 0.459 11.024 1.00 0.00 N ATOM 44 C4 DT A 2 -1.926 0.390 12.389 1.00 0.00 C ATOM 45 O4 DT A 2 -1.723 1.375 13.096 1.00 0.00 O ATOM 46 C5 DT A 2 -2.426 -0.900 12.841 1.00 0.00 C ATOM 47 C7 DT A 2 -2.789 -1.100 14.297 1.00 0.00 C ATOM 48 C6 DT A 2 -2.594 -1.925 11.968 1.00 0.00 C ATOM 0 H5' DT A 2 -4.394 -5.977 11.305 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.084 -7.000 10.748 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.899 -5.546 8.944 1.00 0.00 H new ATOM 0 H3' DT A 2 -1.227 -5.973 9.462 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.771 -3.871 10.581 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.516 -3.368 8.921 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.704 -2.434 8.721 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.310 1.339 10.663 1.00 0.00 H new ATOM 0 H71 DT A 2 -3.587 -1.838 14.375 1.00 0.00 H new ATOM 0 H72 DT A 2 -1.915 -1.451 14.845 1.00 0.00 H new ATOM 0 H73 DT A 2 -3.127 -0.154 14.721 1.00 0.00 H new ATOM 0 H6 DT A 2 -2.934 -2.881 12.338 1.00 0.00 H new ATOM 61 P DT A 3 -2.630 -4.690 6.507 1.00 0.00 P ATOM 62 OP1 DT A 3 -3.633 -3.741 7.032 1.00 0.00 O ATOM 63 OP2 DT A 3 -3.086 -5.814 5.660 1.00 0.00 O ATOM 64 O5' DT A 3 -1.578 -3.852 5.611 1.00 0.00 O ATOM 65 C5' DT A 3 -0.659 -2.952 6.194 1.00 0.00 C ATOM 66 C4' DT A 3 0.282 -2.319 5.163 1.00 0.00 C ATOM 67 O4' DT A 3 1.386 -1.765 5.865 1.00 0.00 O ATOM 68 C3' DT A 3 0.875 -3.329 4.163 1.00 0.00 C ATOM 69 O3' DT A 3 1.158 -2.761 2.891 1.00 0.00 O ATOM 70 C2' DT A 3 2.152 -3.788 4.849 1.00 0.00 C ATOM 71 C1' DT A 3 2.555 -2.542 5.642 1.00 0.00 C ATOM 72 N1 DT A 3 3.268 -2.855 6.919 1.00 0.00 N ATOM 73 C2 DT A 3 4.586 -2.409 7.075 1.00 0.00 C ATOM 74 O2 DT A 3 5.191 -1.772 6.214 1.00 0.00 O ATOM 75 N3 DT A 3 5.216 -2.732 8.272 1.00 0.00 N ATOM 76 C4 DT A 3 4.674 -3.495 9.300 1.00 0.00 C ATOM 77 O4 DT A 3 5.340 -3.728 10.306 1.00 0.00 O ATOM 78 C5 DT A 3 3.321 -3.966 9.045 1.00 0.00 C ATOM 79 C7 DT A 3 2.618 -4.840 10.069 1.00 0.00 C ATOM 80 C6 DT A 3 2.682 -3.642 7.890 1.00 0.00 C ATOM 0 H5' DT A 3 -0.069 -3.477 6.945 1.00 0.00 H new ATOM 0 H5'' DT A 3 -1.206 -2.165 6.712 1.00 0.00 H new ATOM 0 H4' DT A 3 -0.307 -1.590 4.607 1.00 0.00 H new ATOM 0 H3' DT A 3 0.175 -4.135 3.943 1.00 0.00 H new ATOM 0 H2' DT A 3 1.980 -4.647 5.498 1.00 0.00 H new ATOM 0 H2'' DT A 3 2.918 -4.080 4.131 1.00 0.00 H new ATOM 0 H1' DT A 3 3.279 -1.976 5.056 1.00 0.00 H new ATOM 0 H3 DT A 3 6.162 -2.377 8.408 1.00 0.00 H new ATOM 0 H71 DT A 3 1.543 -4.668 10.018 1.00 0.00 H new ATOM 0 H72 DT A 3 2.828 -5.889 9.858 1.00 0.00 H new ATOM 0 H73 DT A 3 2.978 -4.592 11.067 1.00 0.00 H new ATOM 0 H6 DT A 3 1.681 -4.013 7.726 1.00 0.00 H new ATOM 93 P DG A 4 -0.019 -2.299 1.876 1.00 0.00 P ATOM 94 OP1 DG A 4 -1.229 -3.109 2.141 1.00 0.00 O ATOM 95 OP2 DG A 4 0.528 -2.250 0.501 1.00 0.00 O ATOM 96 O5' DG A 4 -0.338 -0.784 2.329 1.00 0.00 O ATOM 97 C5' DG A 4 0.490 0.304 1.960 1.00 0.00 C ATOM 98 C4' DG A 4 0.460 1.363 3.065 1.00 0.00 C ATOM 99 O4' DG A 4 1.314 0.982 4.134 1.00 0.00 O ATOM 100 C3' DG A 4 0.961 2.726 2.561 1.00 0.00 C ATOM 101 O3' DG A 4 0.012 3.711 2.949 1.00 0.00 O ATOM 102 C2' DG A 4 2.290 2.893 3.294 1.00 0.00 C ATOM 103 C1' DG A 4 1.981 2.144 4.585 1.00 0.00 C ATOM 104 N9 DG A 4 3.161 1.822 5.424 1.00 0.00 N ATOM 105 C8 DG A 4 4.506 1.963 5.179 1.00 0.00 C ATOM 106 N7 DG A 4 5.273 1.593 6.170 1.00 0.00 N ATOM 107 C5 DG A 4 4.381 1.157 7.147 1.00 0.00 C ATOM 108 C6 DG A 4 4.611 0.613 8.458 1.00 0.00 C ATOM 109 O6 DG A 4 5.670 0.411 9.048 1.00 0.00 O ATOM 110 N1 DG A 4 3.425 0.267 9.100 1.00 0.00 N ATOM 111 C2 DG A 4 2.172 0.429 8.552 1.00 0.00 C ATOM 112 N2 DG A 4 1.150 -0.013 9.270 1.00 0.00 N ATOM 113 N3 DG A 4 1.944 0.966 7.347 1.00 0.00 N ATOM 114 C4 DG A 4 3.089 1.297 6.690 1.00 0.00 C ATOM 0 H5' DG A 4 0.146 0.734 1.019 1.00 0.00 H new ATOM 0 H5'' DG A 4 1.512 -0.040 1.799 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.577 1.443 3.390 1.00 0.00 H new ATOM 0 H3' DG A 4 1.084 2.810 1.481 1.00 0.00 H new ATOM 0 H2' DG A 4 3.125 2.454 2.748 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.540 3.939 3.470 1.00 0.00 H new ATOM 0 H1' DG A 4 1.388 2.760 5.261 1.00 0.00 H new ATOM 0 H8 DG A 4 4.895 2.347 4.248 1.00 0.00 H new ATOM 0 H1 DG A 4 3.488 -0.132 10.037 1.00 0.00 H new ATOM 0 H21 DG A 4 0.199 0.080 8.914 1.00 0.00 H new ATOM 0 H22 DG A 4 1.315 -0.447 10.178 1.00 0.00 H new ATOM 126 P DC A 5 -0.149 5.122 2.172 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.426 5.732 2.615 1.00 0.00 O ATOM 128 OP2 DC A 5 0.093 4.901 0.730 1.00 0.00 O ATOM 129 O5' DC A 5 1.074 5.999 2.771 1.00 0.00 O ATOM 130 C5' DC A 5 0.919 6.855 3.889 1.00 0.00 C ATOM 131 C4' DC A 5 0.634 6.079 5.181 1.00 0.00 C ATOM 132 O4' DC A 5 1.746 5.330 5.625 1.00 0.00 O ATOM 133 C3' DC A 5 0.271 7.021 6.330 1.00 0.00 C ATOM 134 O3' DC A 5 -1.135 7.002 6.499 1.00 0.00 O ATOM 135 C2' DC A 5 1.022 6.431 7.523 1.00 0.00 C ATOM 136 C1' DC A 5 1.526 5.085 7.000 1.00 0.00 C ATOM 137 N1 DC A 5 2.739 4.647 7.744 1.00 0.00 N ATOM 138 C2 DC A 5 2.564 4.064 9.007 1.00 0.00 C ATOM 139 O2 DC A 5 1.440 3.861 9.467 1.00 0.00 O ATOM 140 N3 DC A 5 3.669 3.724 9.730 1.00 0.00 N ATOM 141 C4 DC A 5 4.903 3.927 9.249 1.00 0.00 C ATOM 142 N4 DC A 5 5.946 3.581 10.005 1.00 0.00 N ATOM 143 C5 DC A 5 5.108 4.493 7.944 1.00 0.00 C ATOM 144 C6 DC A 5 4.006 4.831 7.231 1.00 0.00 C ATOM 0 H5' DC A 5 0.103 7.553 3.699 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.824 7.449 4.017 1.00 0.00 H new ATOM 0 H4' DC A 5 -0.193 5.414 4.930 1.00 0.00 H new ATOM 0 H3' DC A 5 0.543 8.065 6.177 1.00 0.00 H new ATOM 0 H2' DC A 5 1.845 7.073 7.836 1.00 0.00 H new ATOM 0 H2'' DC A 5 0.369 6.307 8.386 1.00 0.00 H new ATOM 0 H1' DC A 5 0.829 4.259 7.142 1.00 0.00 H new ATOM 0 H41 DC A 5 6.895 3.725 9.661 1.00 0.00 H new ATOM 0 H42 DC A 5 5.794 3.172 10.927 1.00 0.00 H new ATOM 0 H5 DC A 5 6.101 4.643 7.547 1.00 0.00 H new ATOM 0 H6 DC A 5 4.122 5.252 6.243 1.00 0.00 H new ATOM 156 P DA A 6 -1.929 8.099 7.380 1.00 0.00 P ATOM 157 OP1 DA A 6 -3.199 8.382 6.678 1.00 0.00 O ATOM 158 OP2 DA A 6 -1.010 9.208 7.719 1.00 0.00 O ATOM 159 O5' DA A 6 -2.252 7.308 8.747 1.00 0.00 O ATOM 160 C5' DA A 6 -3.207 6.265 8.795 1.00 0.00 C ATOM 161 C4' DA A 6 -3.392 5.794 10.240 1.00 0.00 C ATOM 162 O4' DA A 6 -4.313 4.710 10.255 1.00 0.00 O ATOM 163 C3' DA A 6 -2.093 5.270 10.859 1.00 0.00 C ATOM 164 O3' DA A 6 -2.153 5.432 12.267 1.00 0.00 O ATOM 165 C2' DA A 6 -2.136 3.798 10.490 1.00 0.00 C ATOM 166 C1' DA A 6 -3.634 3.526 10.638 1.00 0.00 C ATOM 167 N9 DA A 6 -4.118 2.366 9.855 1.00 0.00 N ATOM 168 C8 DA A 6 -3.904 2.064 8.531 1.00 0.00 C ATOM 169 N7 DA A 6 -4.376 0.906 8.163 1.00 0.00 N ATOM 170 C5 DA A 6 -4.923 0.384 9.331 1.00 0.00 C ATOM 171 C6 DA A 6 -5.529 -0.856 9.651 1.00 0.00 C ATOM 172 N6 DA A 6 -5.665 -1.850 8.771 1.00 0.00 N ATOM 173 N1 DA A 6 -5.949 -1.071 10.915 1.00 0.00 N ATOM 174 C2 DA A 6 -5.768 -0.106 11.816 1.00 0.00 C ATOM 175 N3 DA A 6 -5.198 1.088 11.653 1.00 0.00 N ATOM 176 C4 DA A 6 -4.788 1.277 10.366 1.00 0.00 C ATOM 0 H5' DA A 6 -2.881 5.433 8.171 1.00 0.00 H new ATOM 0 H5'' DA A 6 -4.158 6.612 8.392 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.739 6.655 10.812 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.189 5.775 10.519 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.778 3.612 9.478 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.534 3.184 11.159 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.835 3.260 11.676 1.00 0.00 H new ATOM 0 H8 DA A 6 -3.389 2.729 7.854 1.00 0.00 H new ATOM 0 H61 DA A 6 -6.109 -2.724 9.053 1.00 0.00 H new ATOM 0 H62 DA A 6 -5.325 -1.736 7.816 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.131 -0.320 12.810 1.00 0.00 H new ATOM 188 P DT A 7 -1.093 6.331 13.085 1.00 0.00 P ATOM 189 OP1 DT A 7 -1.711 6.695 14.381 1.00 0.00 O ATOM 190 OP2 DT A 7 -0.580 7.400 12.197 1.00 0.00 O ATOM 191 O5' DT A 7 0.109 5.291 13.360 1.00 0.00 O ATOM 192 C5' DT A 7 0.036 4.277 14.351 1.00 0.00 C ATOM 193 C4' DT A 7 1.210 4.391 15.333 1.00 0.00 C ATOM 194 O4' DT A 7 2.433 4.335 14.617 1.00 0.00 O ATOM 195 C3' DT A 7 1.189 5.718 16.111 1.00 0.00 C ATOM 196 O3' DT A 7 1.460 5.547 17.494 1.00 0.00 O ATOM 197 C2' DT A 7 2.285 6.545 15.455 1.00 0.00 C ATOM 198 C1' DT A 7 3.228 5.462 14.929 1.00 0.00 C ATOM 199 N1 DT A 7 4.012 5.900 13.738 1.00 0.00 N ATOM 200 C2 DT A 7 5.405 5.994 13.848 1.00 0.00 C ATOM 201 O2 DT A 7 6.028 5.668 14.857 1.00 0.00 O ATOM 202 N3 DT A 7 6.082 6.505 12.745 1.00 0.00 N ATOM 203 C4 DT A 7 5.498 6.945 11.563 1.00 0.00 C ATOM 204 O4 DT A 7 6.205 7.386 10.659 1.00 0.00 O ATOM 205 C5 DT A 7 4.047 6.829 11.532 1.00 0.00 C ATOM 206 C7 DT A 7 3.282 7.292 10.307 1.00 0.00 C ATOM 207 C6 DT A 7 3.369 6.313 12.590 1.00 0.00 C ATOM 0 H5' DT A 7 0.047 3.296 13.876 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.906 4.358 14.893 1.00 0.00 H new ATOM 0 H4' DT A 7 1.118 3.565 16.038 1.00 0.00 H new ATOM 0 H3' DT A 7 0.205 6.186 16.071 1.00 0.00 H new ATOM 0 H2' DT A 7 1.897 7.173 14.653 1.00 0.00 H new ATOM 0 H2'' DT A 7 2.779 7.206 16.167 1.00 0.00 H new ATOM 0 H1' DT A 7 3.969 5.230 15.694 1.00 0.00 H new ATOM 0 H3 DT A 7 7.098 6.562 12.810 1.00 0.00 H new ATOM 0 H71 DT A 7 2.375 6.697 10.198 1.00 0.00 H new ATOM 0 H72 DT A 7 3.015 8.343 10.421 1.00 0.00 H new ATOM 0 H73 DT A 7 3.905 7.170 9.421 1.00 0.00 H new ATOM 0 H6 DT A 7 2.294 6.224 12.530 1.00 0.00 H new ATOM 220 P DG A 8 0.311 5.101 18.548 1.00 0.00 P ATOM 221 OP1 DG A 8 -0.972 5.709 18.130 1.00 0.00 O ATOM 222 OP2 DG A 8 0.832 5.368 19.907 1.00 0.00 O ATOM 223 O5' DG A 8 0.193 3.505 18.353 1.00 0.00 O ATOM 224 C5' DG A 8 1.214 2.629 18.793 1.00 0.00 C ATOM 225 C4' DG A 8 0.858 1.190 18.411 1.00 0.00 C ATOM 226 O4' DG A 8 0.764 1.029 17.002 1.00 0.00 O ATOM 227 C3' DG A 8 1.903 0.192 18.922 1.00 0.00 C ATOM 228 O3' DG A 8 1.532 -0.372 20.163 1.00 0.00 O ATOM 229 C2' DG A 8 1.899 -0.863 17.824 1.00 0.00 C ATOM 230 C1' DG A 8 1.602 -0.033 16.574 1.00 0.00 C ATOM 231 N9 DG A 8 2.811 0.533 15.918 1.00 0.00 N ATOM 232 C8 DG A 8 4.101 0.662 16.380 1.00 0.00 C ATOM 233 N7 DG A 8 4.916 1.236 15.541 1.00 0.00 N ATOM 234 C5 DG A 8 4.121 1.514 14.434 1.00 0.00 C ATOM 235 C6 DG A 8 4.448 2.153 13.193 1.00 0.00 C ATOM 236 O6 DG A 8 5.529 2.608 12.826 1.00 0.00 O ATOM 237 N1 DG A 8 3.352 2.242 12.338 1.00 0.00 N ATOM 238 C2 DG A 8 2.087 1.780 12.644 1.00 0.00 C ATOM 239 N2 DG A 8 1.131 1.993 11.743 1.00 0.00 N ATOM 240 N3 DG A 8 1.778 1.171 13.800 1.00 0.00 N ATOM 241 C4 DG A 8 2.834 1.073 14.655 1.00 0.00 C ATOM 0 H5' DG A 8 1.335 2.709 19.873 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.166 2.910 18.344 1.00 0.00 H new ATOM 0 H4' DG A 8 -0.107 0.990 18.876 1.00 0.00 H new ATOM 0 H3' DG A 8 2.877 0.646 19.103 1.00 0.00 H new ATOM 0 H2' DG A 8 2.857 -1.378 17.752 1.00 0.00 H new ATOM 0 H2'' DG A 8 1.139 -1.625 17.996 1.00 0.00 H new ATOM 0 HO3' DG A 8 2.222 -1.004 20.455 1.00 0.00 H new ATOM 0 H1' DG A 8 1.143 -0.680 15.826 1.00 0.00 H new ATOM 0 H8 DG A 8 4.411 0.317 17.355 1.00 0.00 H new ATOM 0 H1 DG A 8 3.493 2.677 11.426 1.00 0.00 H new ATOM 0 H21 DG A 8 0.180 1.671 11.923 1.00 0.00 H new ATOM 0 H22 DG A 8 1.349 2.479 10.873 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 -1.451 -0.836 -0.356 1.00 0.00 NA HETATM 256 NA NA A 102 2.573 7.107 19.511 1.00 0.00 NA HETATM 257 NA NA A 103 -5.415 -3.534 11.918 1.00 0.00 NA HETATM 258 NA NA A 104 -2.716 5.598 16.371 1.00 0.00 NA HETATM 259 NA NA A 105 -0.572 8.885 10.209 1.00 0.00 NA HETATM 260 NA NA A 106 -2.519 -4.870 3.362 1.00 0.00 NA HETATM 261 NA NA A 107 -2.732 6.996 4.399 1.00 0.00 NA