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= -0.0293 (180deg=-0.0852) 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 -1.237 -5.483 17.497 1.00 0.00 O ATOM 2 C5' DC A 1 -0.175 -4.707 16.978 1.00 0.00 C ATOM 3 C4' DC A 1 -0.637 -3.911 15.754 1.00 0.00 C ATOM 4 O4' DC A 1 0.408 -3.049 15.337 1.00 0.00 O ATOM 5 C3' DC A 1 -1.009 -4.807 14.556 1.00 0.00 C ATOM 6 O3' DC A 1 -2.285 -4.412 14.071 1.00 0.00 O ATOM 7 C2' DC A 1 0.108 -4.512 13.555 1.00 0.00 C ATOM 8 C1' DC A 1 0.453 -3.075 13.928 1.00 0.00 C ATOM 9 N1 DC A 1 1.773 -2.630 13.398 1.00 0.00 N ATOM 10 C2 DC A 1 1.796 -1.756 12.305 1.00 0.00 C ATOM 11 O2 DC A 1 0.757 -1.312 11.822 1.00 0.00 O ATOM 12 N3 DC A 1 2.999 -1.397 11.772 1.00 0.00 N ATOM 13 C4 DC A 1 4.149 -1.858 12.282 1.00 0.00 C ATOM 14 N4 DC A 1 5.296 -1.457 11.729 1.00 0.00 N ATOM 15 C5 DC A 1 4.154 -2.762 13.402 1.00 0.00 C ATOM 16 C6 DC A 1 2.951 -3.123 13.917 1.00 0.00 C ATOM 0 H5' DC A 1 0.657 -5.356 16.704 1.00 0.00 H new ATOM 0 H5'' DC A 1 0.193 -4.025 17.745 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.528 -3.361 16.058 1.00 0.00 H new ATOM 0 H3' DC A 1 -1.084 -5.872 14.778 1.00 0.00 H new ATOM 0 H2' DC A 1 0.957 -5.185 13.673 1.00 0.00 H new ATOM 0 H2'' DC A 1 -0.228 -4.602 12.522 1.00 0.00 H new ATOM 0 HO5' DC A 1 -0.924 -5.986 18.277 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.251 -2.373 13.480 1.00 0.00 H new ATOM 0 H41 DC A 1 6.185 -1.793 12.098 1.00 0.00 H new ATOM 0 H42 DC A 1 5.283 -0.814 10.937 1.00 0.00 H new ATOM 0 H5 DC A 1 5.078 -3.138 13.816 1.00 0.00 H new ATOM 0 H6 DC A 1 2.916 -3.810 14.750 1.00 0.00 H new ATOM 29 P DT A 2 -3.174 -5.322 13.070 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.584 -4.899 13.229 1.00 0.00 O ATOM 31 OP2 DT A 2 -2.809 -6.745 13.245 1.00 0.00 O ATOM 32 O5' DT A 2 -2.691 -4.842 11.610 1.00 0.00 O ATOM 33 C5' DT A 2 -3.361 -5.250 10.430 1.00 0.00 C ATOM 34 C4' DT A 2 -3.031 -4.299 9.269 1.00 0.00 C ATOM 35 O4' DT A 2 -3.426 -2.978 9.630 1.00 0.00 O ATOM 36 C3' DT A 2 -1.530 -4.275 8.935 1.00 0.00 C ATOM 37 O3' DT A 2 -1.256 -4.412 7.536 1.00 0.00 O ATOM 38 C2' DT A 2 -1.067 -2.980 9.590 1.00 0.00 C ATOM 39 C1' DT A 2 -2.314 -2.108 9.510 1.00 0.00 C ATOM 40 N1 DT A 2 -2.307 -1.038 10.540 1.00 0.00 N ATOM 41 C2 DT A 2 -1.994 0.265 10.136 1.00 0.00 C ATOM 42 O2 DT A 2 -1.813 0.589 8.961 1.00 0.00 O ATOM 43 N3 DT A 2 -1.872 1.208 11.147 1.00 0.00 N ATOM 44 C4 DT A 2 -2.046 0.972 12.507 1.00 0.00 C ATOM 45 O4 DT A 2 -1.935 1.896 13.308 1.00 0.00 O ATOM 46 C5 DT A 2 -2.350 -0.409 12.846 1.00 0.00 C ATOM 47 C7 DT A 2 -2.545 -0.792 14.301 1.00 0.00 C ATOM 48 C6 DT A 2 -2.463 -1.350 11.874 1.00 0.00 C ATOM 0 H5' DT A 2 -4.437 -5.264 10.602 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.066 -6.267 10.170 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.568 -4.658 8.391 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.973 -5.131 9.317 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.747 -3.138 10.620 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.225 -2.535 9.059 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.358 -1.575 8.560 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.633 2.160 10.868 1.00 0.00 H new ATOM 0 H71 DT A 2 -1.941 -0.141 14.933 1.00 0.00 H new ATOM 0 H72 DT A 2 -3.596 -0.683 14.568 1.00 0.00 H new ATOM 0 H73 DT A 2 -2.239 -1.828 14.449 1.00 0.00 H new ATOM 0 H6 DT A 2 -2.681 -2.370 12.153 1.00 0.00 H new ATOM 61 P DT A 3 -1.707 -3.419 6.312 1.00 0.00 P ATOM 62 OP1 DT A 3 -3.051 -2.866 6.583 1.00 0.00 O ATOM 63 OP2 DT A 3 -1.508 -4.177 5.060 1.00 0.00 O ATOM 64 O5' DT A 3 -0.662 -2.175 6.309 1.00 0.00 O ATOM 65 C5' DT A 3 0.735 -2.346 6.479 1.00 0.00 C ATOM 66 C4' DT A 3 1.568 -2.160 5.206 1.00 0.00 C ATOM 67 O4' DT A 3 2.914 -1.953 5.593 1.00 0.00 O ATOM 68 C3' DT A 3 1.616 -3.359 4.256 1.00 0.00 C ATOM 69 O3' DT A 3 1.936 -2.966 2.929 1.00 0.00 O ATOM 70 C2' DT A 3 2.723 -4.220 4.856 1.00 0.00 C ATOM 71 C1' DT A 3 3.622 -3.182 5.547 1.00 0.00 C ATOM 72 N1 DT A 3 4.143 -3.530 6.910 1.00 0.00 N ATOM 73 C2 DT A 3 5.448 -3.122 7.222 1.00 0.00 C ATOM 74 O2 DT A 3 6.175 -2.520 6.434 1.00 0.00 O ATOM 75 N3 DT A 3 5.913 -3.431 8.495 1.00 0.00 N ATOM 76 C4 DT A 3 5.199 -4.088 9.488 1.00 0.00 C ATOM 77 O4 DT A 3 5.727 -4.316 10.574 1.00 0.00 O ATOM 78 C5 DT A 3 3.843 -4.452 9.106 1.00 0.00 C ATOM 79 C7 DT A 3 2.938 -5.143 10.114 1.00 0.00 C ATOM 80 C6 DT A 3 3.374 -4.181 7.860 1.00 0.00 C ATOM 0 H5' DT A 3 0.919 -3.346 6.873 1.00 0.00 H new ATOM 0 H5'' DT A 3 1.084 -1.638 7.231 1.00 0.00 H new ATOM 0 H4' DT A 3 1.090 -1.334 4.680 1.00 0.00 H new ATOM 0 H3' DT A 3 0.659 -3.875 4.173 1.00 0.00 H new ATOM 0 H2' DT A 3 2.330 -4.950 5.564 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.263 -4.777 4.090 1.00 0.00 H new ATOM 0 H1' DT A 3 4.528 -3.131 4.943 1.00 0.00 H new ATOM 0 H3 DT A 3 6.867 -3.149 8.720 1.00 0.00 H new ATOM 0 H71 DT A 3 1.900 -4.877 9.913 1.00 0.00 H new ATOM 0 H72 DT A 3 3.059 -6.223 10.031 1.00 0.00 H new ATOM 0 H73 DT A 3 3.206 -4.825 11.122 1.00 0.00 H new ATOM 0 H6 DT A 3 2.370 -4.483 7.602 1.00 0.00 H new ATOM 93 P DG A 4 0.800 -2.472 1.881 1.00 0.00 P ATOM 94 OP1 DG A 4 -0.384 -3.348 2.026 1.00 0.00 O ATOM 95 OP2 DG A 4 1.451 -2.355 0.557 1.00 0.00 O ATOM 96 O5' DG A 4 0.394 -0.994 2.390 1.00 0.00 O ATOM 97 C5' DG A 4 1.165 0.146 2.058 1.00 0.00 C ATOM 98 C4' DG A 4 0.759 1.325 2.951 1.00 0.00 C ATOM 99 O4' DG A 4 1.258 1.120 4.267 1.00 0.00 O ATOM 100 C3' DG A 4 1.357 2.643 2.450 1.00 0.00 C ATOM 101 O3' DG A 4 0.437 3.696 2.710 1.00 0.00 O ATOM 102 C2' DG A 4 2.642 2.733 3.268 1.00 0.00 C ATOM 103 C1' DG A 4 2.192 2.136 4.599 1.00 0.00 C ATOM 104 N9 DG A 4 3.302 1.607 5.437 1.00 0.00 N ATOM 105 C8 DG A 4 4.646 1.500 5.168 1.00 0.00 C ATOM 106 N7 DG A 4 5.348 0.978 6.135 1.00 0.00 N ATOM 107 C5 DG A 4 4.410 0.704 7.125 1.00 0.00 C ATOM 108 C6 DG A 4 4.575 0.126 8.427 1.00 0.00 C ATOM 109 O6 DG A 4 5.605 -0.257 8.980 1.00 0.00 O ATOM 110 N1 DG A 4 3.371 0.015 9.113 1.00 0.00 N ATOM 111 C2 DG A 4 2.154 0.433 8.616 1.00 0.00 C ATOM 112 N2 DG A 4 1.105 0.277 9.416 1.00 0.00 N ATOM 113 N3 DG A 4 1.989 0.982 7.403 1.00 0.00 N ATOM 114 C4 DG A 4 3.155 1.088 6.703 1.00 0.00 C ATOM 0 H5' DG A 4 1.017 0.404 1.009 1.00 0.00 H new ATOM 0 H5'' DG A 4 2.226 -0.071 2.186 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.329 1.382 2.934 1.00 0.00 H new ATOM 0 H3' DG A 4 1.557 2.706 1.380 1.00 0.00 H new ATOM 0 H2' DG A 4 3.457 2.166 2.818 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.990 3.760 3.375 1.00 0.00 H new ATOM 0 H1' DG A 4 1.753 2.916 5.221 1.00 0.00 H new ATOM 0 H8 DG A 4 5.084 1.821 4.234 1.00 0.00 H new ATOM 0 H1 DG A 4 3.389 -0.402 10.044 1.00 0.00 H new ATOM 0 H21 DG A 4 0.178 0.567 9.104 1.00 0.00 H new ATOM 0 H22 DG A 4 1.226 -0.133 10.342 1.00 0.00 H new ATOM 126 P DC A 5 0.708 5.229 2.266 1.00 0.00 P ATOM 127 OP1 DC A 5 -0.595 5.846 1.931 1.00 0.00 O ATOM 128 OP2 DC A 5 1.786 5.253 1.253 1.00 0.00 O ATOM 129 O5' DC A 5 1.276 5.916 3.617 1.00 0.00 O ATOM 130 C5' DC A 5 0.454 6.642 4.517 1.00 0.00 C ATOM 131 C4' DC A 5 -0.559 5.745 5.250 1.00 0.00 C ATOM 132 O4' DC A 5 0.112 4.640 5.833 1.00 0.00 O ATOM 133 C3' DC A 5 -1.244 6.509 6.390 1.00 0.00 C ATOM 134 O3' DC A 5 -2.546 5.980 6.610 1.00 0.00 O ATOM 135 C2' DC A 5 -0.302 6.221 7.555 1.00 0.00 C ATOM 136 C1' DC A 5 0.115 4.785 7.241 1.00 0.00 C ATOM 137 N1 DC A 5 1.429 4.437 7.846 1.00 0.00 N ATOM 138 C2 DC A 5 1.431 3.805 9.094 1.00 0.00 C ATOM 139 O2 DC A 5 0.377 3.536 9.667 1.00 0.00 O ATOM 140 N3 DC A 5 2.628 3.478 9.661 1.00 0.00 N ATOM 141 C4 DC A 5 3.786 3.751 9.045 1.00 0.00 C ATOM 142 N4 DC A 5 4.928 3.376 9.631 1.00 0.00 N ATOM 143 C5 DC A 5 3.810 4.426 7.775 1.00 0.00 C ATOM 144 C6 DC A 5 2.615 4.753 7.221 1.00 0.00 C ATOM 0 H5' DC A 5 -0.082 7.416 3.969 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.083 7.148 5.250 1.00 0.00 H new ATOM 0 H4' DC A 5 -1.298 5.419 4.518 1.00 0.00 H new ATOM 0 H3' DC A 5 -1.394 7.574 6.214 1.00 0.00 H new ATOM 0 H2' DC A 5 0.548 6.903 7.576 1.00 0.00 H new ATOM 0 H2'' DC A 5 -0.802 6.304 8.520 1.00 0.00 H new ATOM 0 H1' DC A 5 -0.591 4.084 7.685 1.00 0.00 H new ATOM 0 H41 DC A 5 5.821 3.573 9.180 1.00 0.00 H new ATOM 0 H42 DC A 5 4.906 2.893 10.529 1.00 0.00 H new ATOM 0 H5 DC A 5 4.741 4.663 7.282 1.00 0.00 H new ATOM 0 H6 DC A 5 2.594 5.270 6.273 1.00 0.00 H new ATOM 156 P DA A 6 -3.688 6.784 7.431 1.00 0.00 P ATOM 157 OP1 DA A 6 -4.993 6.158 7.122 1.00 0.00 O ATOM 158 OP2 DA A 6 -3.520 8.234 7.184 1.00 0.00 O ATOM 159 O5' DA A 6 -3.365 6.483 8.981 1.00 0.00 O ATOM 160 C5' DA A 6 -3.922 7.270 10.019 1.00 0.00 C ATOM 161 C4' DA A 6 -3.832 6.584 11.393 1.00 0.00 C ATOM 162 O4' DA A 6 -4.675 5.443 11.420 1.00 0.00 O ATOM 163 C3' DA A 6 -2.417 6.115 11.751 1.00 0.00 C ATOM 164 O3' DA A 6 -2.245 6.217 13.157 1.00 0.00 O ATOM 165 C2' DA A 6 -2.430 4.656 11.315 1.00 0.00 C ATOM 166 C1' DA A 6 -3.890 4.275 11.586 1.00 0.00 C ATOM 167 N9 DA A 6 -4.407 3.201 10.704 1.00 0.00 N ATOM 168 C8 DA A 6 -4.347 3.110 9.335 1.00 0.00 C ATOM 169 N7 DA A 6 -4.785 1.982 8.850 1.00 0.00 N ATOM 170 C5 DA A 6 -5.168 1.264 9.979 1.00 0.00 C ATOM 171 C6 DA A 6 -5.684 -0.040 10.169 1.00 0.00 C ATOM 172 N6 DA A 6 -5.916 -0.890 9.161 1.00 0.00 N ATOM 173 N1 DA A 6 -5.943 -0.461 11.424 1.00 0.00 N ATOM 174 C2 DA A 6 -5.713 0.376 12.437 1.00 0.00 C ATOM 175 N3 DA A 6 -5.231 1.617 12.395 1.00 0.00 N ATOM 176 C4 DA A 6 -4.969 2.012 11.116 1.00 0.00 C ATOM 0 H5' DA A 6 -4.967 7.481 9.790 1.00 0.00 H new ATOM 0 H5'' DA A 6 -3.405 8.229 10.061 1.00 0.00 H new ATOM 0 H4' DA A 6 -4.138 7.337 12.119 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.616 6.689 11.286 1.00 0.00 H new ATOM 0 H2' DA A 6 -2.162 4.538 10.265 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.733 4.048 11.892 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.947 3.878 12.599 1.00 0.00 H new ATOM 0 H8 DA A 6 -3.968 3.907 8.712 1.00 0.00 H new ATOM 0 H61 DA A 6 -6.289 -1.820 9.353 1.00 0.00 H new ATOM 0 H62 DA A 6 -5.720 -0.608 8.201 1.00 0.00 H new ATOM 0 H2 DA A 6 -5.949 -0.002 13.421 1.00 0.00 H new ATOM 188 P DT A 7 -0.858 6.697 13.835 1.00 0.00 P ATOM 189 OP1 DT A 7 -1.146 7.033 15.247 1.00 0.00 O ATOM 190 OP2 DT A 7 -0.232 7.715 12.963 1.00 0.00 O ATOM 191 O5' DT A 7 0.074 5.374 13.795 1.00 0.00 O ATOM 192 C5' DT A 7 0.072 4.377 14.806 1.00 0.00 C ATOM 193 C4' DT A 7 1.434 4.291 15.514 1.00 0.00 C ATOM 194 O4' DT A 7 2.460 4.124 14.547 1.00 0.00 O ATOM 195 C3' DT A 7 1.777 5.548 16.325 1.00 0.00 C ATOM 196 O3' DT A 7 2.345 5.236 17.590 1.00 0.00 O ATOM 197 C2' DT A 7 2.789 6.289 15.462 1.00 0.00 C ATOM 198 C1' DT A 7 3.427 5.150 14.664 1.00 0.00 C ATOM 199 N1 DT A 7 3.916 5.560 13.312 1.00 0.00 N ATOM 200 C2 DT A 7 5.269 5.376 13.001 1.00 0.00 C ATOM 201 O2 DT A 7 6.071 4.834 13.759 1.00 0.00 O ATOM 202 N3 DT A 7 5.692 5.855 11.765 1.00 0.00 N ATOM 203 C4 DT A 7 4.896 6.490 10.819 1.00 0.00 C ATOM 204 O4 DT A 7 5.390 6.868 9.758 1.00 0.00 O ATOM 205 C5 DT A 7 3.501 6.635 11.210 1.00 0.00 C ATOM 206 C7 DT A 7 2.516 7.308 10.269 1.00 0.00 C ATOM 207 C6 DT A 7 3.069 6.175 12.412 1.00 0.00 C ATOM 0 H5' DT A 7 -0.172 3.410 14.365 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.706 4.599 15.537 1.00 0.00 H new ATOM 0 H4' DT A 7 1.367 3.445 16.199 1.00 0.00 H new ATOM 0 H3' DT A 7 0.884 6.134 16.543 1.00 0.00 H new ATOM 0 H2' DT A 7 2.311 7.023 14.813 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.523 6.825 16.064 1.00 0.00 H new ATOM 0 H1' DT A 7 4.315 4.813 15.199 1.00 0.00 H new ATOM 0 H3 DT A 7 6.677 5.728 11.532 1.00 0.00 H new ATOM 0 H71 DT A 7 1.521 6.890 10.423 1.00 0.00 H new ATOM 0 H72 DT A 7 2.494 8.379 10.470 1.00 0.00 H new ATOM 0 H73 DT A 7 2.825 7.139 9.237 1.00 0.00 H new ATOM 0 H6 DT A 7 2.028 6.294 12.673 1.00 0.00 H new ATOM 220 P DG A 8 1.437 4.847 18.876 1.00 0.00 P ATOM 221 OP1 DG A 8 0.138 5.551 18.768 1.00 0.00 O ATOM 222 OP2 DG A 8 2.264 5.031 20.089 1.00 0.00 O ATOM 223 O5' DG A 8 1.153 3.267 18.694 1.00 0.00 O ATOM 224 C5' DG A 8 2.150 2.299 18.965 1.00 0.00 C ATOM 225 C4' DG A 8 1.637 0.908 18.581 1.00 0.00 C ATOM 226 O4' DG A 8 1.343 0.831 17.194 1.00 0.00 O ATOM 227 C3' DG A 8 2.654 -0.194 18.890 1.00 0.00 C ATOM 228 O3' DG A 8 2.459 -0.754 20.173 1.00 0.00 O ATOM 229 C2' DG A 8 2.347 -1.212 17.798 1.00 0.00 C ATOM 230 C1' DG A 8 1.957 -0.312 16.626 1.00 0.00 C ATOM 231 N9 DG A 8 3.099 0.124 15.779 1.00 0.00 N ATOM 232 C8 DG A 8 4.458 0.023 15.972 1.00 0.00 C ATOM 233 N7 DG A 8 5.176 0.528 15.006 1.00 0.00 N ATOM 234 C5 DG A 8 4.236 1.012 14.100 1.00 0.00 C ATOM 235 C6 DG A 8 4.406 1.673 12.837 1.00 0.00 C ATOM 236 O6 DG A 8 5.442 1.969 12.246 1.00 0.00 O ATOM 237 N1 DG A 8 3.190 1.997 12.243 1.00 0.00 N ATOM 238 C2 DG A 8 1.958 1.725 12.800 1.00 0.00 C ATOM 239 N2 DG A 8 0.897 2.177 12.145 1.00 0.00 N ATOM 240 N3 DG A 8 1.789 1.092 13.969 1.00 0.00 N ATOM 241 C4 DG A 8 2.964 0.763 14.570 1.00 0.00 C ATOM 0 H5' DG A 8 2.414 2.321 20.022 1.00 0.00 H new ATOM 0 H5'' DG A 8 3.056 2.530 18.406 1.00 0.00 H new ATOM 0 H4' DG A 8 0.737 0.755 19.177 1.00 0.00 H new ATOM 0 H3' DG A 8 3.685 0.160 18.901 1.00 0.00 H new ATOM 0 H2' DG A 8 3.211 -1.834 17.565 1.00 0.00 H new ATOM 0 H2'' DG A 8 1.538 -1.885 18.083 1.00 0.00 H new ATOM 0 HO3' DG A 8 3.127 -1.454 20.329 1.00 0.00 H new ATOM 0 H1' DG A 8 1.303 -0.879 15.963 1.00 0.00 H new ATOM 0 H8 DG A 8 4.893 -0.435 16.848 1.00 0.00 H new ATOM 0 H1 DG A 8 3.211 2.466 11.337 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.040 2.005 12.511 1.00 0.00 H new ATOM 0 H22 DG A 8 1.018 2.697 11.276 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 3.080 -4.255 0.744 1.00 0.00 NA HETATM 256 NA NA A 102 -5.958 8.411 6.326 1.00 0.00 NA HETATM 257 NA NA A 103 -5.206 -3.040 11.692 1.00 0.00 NA HETATM 258 NA NA A 104 -1.783 6.510 17.563 1.00 0.00 NA HETATM 259 NA NA A 105 0.401 6.925 -0.194 1.00 0.00 NA HETATM 260 NA NA A 106 -2.658 -3.408 3.013 1.00 0.00 NA HETATM 261 NA NA A 107 -0.544 0.561 6.426 1.00 0.00 NA