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=-0.0105) 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 0.145 -6.510 17.080 1.00 0.00 O ATOM 2 C5' DC A 1 0.806 -5.362 16.586 1.00 0.00 C ATOM 3 C4' DC A 1 -0.155 -4.490 15.767 1.00 0.00 C ATOM 4 O4' DC A 1 0.550 -3.324 15.373 1.00 0.00 O ATOM 5 C3' DC A 1 -0.660 -5.180 14.491 1.00 0.00 C ATOM 6 O3' DC A 1 -1.988 -4.751 14.217 1.00 0.00 O ATOM 7 C2' DC A 1 0.333 -4.675 13.452 1.00 0.00 C ATOM 8 C1' DC A 1 0.616 -3.261 13.960 1.00 0.00 C ATOM 9 N1 DC A 1 1.922 -2.739 13.459 1.00 0.00 N ATOM 10 C2 DC A 1 1.932 -2.066 12.232 1.00 0.00 C ATOM 11 O2 DC A 1 0.894 -1.889 11.600 1.00 0.00 O ATOM 12 N3 DC A 1 3.112 -1.589 11.746 1.00 0.00 N ATOM 13 C4 DC A 1 4.249 -1.722 12.439 1.00 0.00 C ATOM 14 N4 DC A 1 5.367 -1.203 11.922 1.00 0.00 N ATOM 15 C5 DC A 1 4.269 -2.396 13.711 1.00 0.00 C ATOM 16 C6 DC A 1 3.091 -2.889 14.173 1.00 0.00 C ATOM 0 H5' DC A 1 1.651 -5.662 15.966 1.00 0.00 H new ATOM 0 H5'' DC A 1 1.210 -4.784 17.417 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.021 -4.277 16.394 1.00 0.00 H new ATOM 0 H3' DC A 1 -0.707 -6.268 14.535 1.00 0.00 H new ATOM 0 H2' DC A 1 1.235 -5.286 13.416 1.00 0.00 H new ATOM 0 H2'' DC A 1 -0.090 -4.673 12.448 1.00 0.00 H new ATOM 0 HO5' DC A 1 0.775 -7.053 17.598 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.120 -2.552 13.582 1.00 0.00 H new ATOM 0 H41 DC A 1 6.249 -1.288 12.426 1.00 0.00 H new ATOM 0 H42 DC A 1 5.338 -0.722 11.023 1.00 0.00 H new ATOM 0 H5 DC A 1 5.184 -2.505 14.275 1.00 0.00 H new ATOM 0 H6 DC A 1 3.070 -3.409 15.119 1.00 0.00 H new ATOM 29 P DT A 2 -3.015 -5.587 13.281 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.384 -5.187 13.677 1.00 0.00 O ATOM 31 OP2 DT A 2 -2.637 -7.017 13.287 1.00 0.00 O ATOM 32 O5' DT A 2 -2.755 -4.998 11.801 1.00 0.00 O ATOM 33 C5' DT A 2 -3.618 -5.300 10.715 1.00 0.00 C ATOM 34 C4' DT A 2 -3.433 -4.276 9.585 1.00 0.00 C ATOM 35 O4' DT A 2 -3.704 -2.983 10.119 1.00 0.00 O ATOM 36 C3' DT A 2 -1.999 -4.303 9.031 1.00 0.00 C ATOM 37 O3' DT A 2 -1.901 -4.508 7.614 1.00 0.00 O ATOM 38 C2' DT A 2 -1.398 -3.017 9.585 1.00 0.00 C ATOM 39 C1' DT A 2 -2.598 -2.127 9.891 1.00 0.00 C ATOM 40 N1 DT A 2 -2.329 -1.185 11.012 1.00 0.00 N ATOM 41 C2 DT A 2 -1.896 0.104 10.691 1.00 0.00 C ATOM 42 O2 DT A 2 -1.746 0.494 9.534 1.00 0.00 O ATOM 43 N3 DT A 2 -1.645 0.960 11.756 1.00 0.00 N ATOM 44 C4 DT A 2 -1.781 0.647 13.102 1.00 0.00 C ATOM 45 O4 DT A 2 -1.546 1.503 13.952 1.00 0.00 O ATOM 46 C5 DT A 2 -2.214 -0.722 13.353 1.00 0.00 C ATOM 47 C7 DT A 2 -2.427 -1.190 14.777 1.00 0.00 C ATOM 48 C6 DT A 2 -2.456 -1.578 12.325 1.00 0.00 C ATOM 0 H5' DT A 2 -4.654 -5.295 11.053 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.409 -6.303 10.344 1.00 0.00 H new ATOM 0 H4' DT A 2 -4.111 -4.519 8.767 1.00 0.00 H new ATOM 0 H3' DT A 2 -1.429 -5.175 9.351 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.809 -3.210 10.482 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.732 -2.548 8.861 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.819 -1.472 9.049 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.332 1.904 11.529 1.00 0.00 H new ATOM 0 H71 DT A 2 -1.755 -0.648 15.442 1.00 0.00 H new ATOM 0 H72 DT A 2 -3.459 -1.001 15.072 1.00 0.00 H new ATOM 0 H73 DT A 2 -2.220 -2.258 14.844 1.00 0.00 H new ATOM 0 H6 DT A 2 -2.756 -2.592 12.544 1.00 0.00 H new ATOM 61 P DT A 3 -2.492 -3.564 6.418 1.00 0.00 P ATOM 62 OP1 DT A 3 -3.134 -2.349 6.954 1.00 0.00 O ATOM 63 OP2 DT A 3 -3.264 -4.437 5.507 1.00 0.00 O ATOM 64 O5' DT A 3 -1.174 -3.115 5.598 1.00 0.00 O ATOM 65 C5' DT A 3 -0.128 -2.379 6.201 1.00 0.00 C ATOM 66 C4' DT A 3 0.950 -1.983 5.183 1.00 0.00 C ATOM 67 O4' DT A 3 2.142 -1.667 5.884 1.00 0.00 O ATOM 68 C3' DT A 3 1.351 -3.071 4.175 1.00 0.00 C ATOM 69 O3' DT A 3 1.770 -2.516 2.935 1.00 0.00 O ATOM 70 C2' DT A 3 2.497 -3.800 4.862 1.00 0.00 C ATOM 71 C1' DT A 3 3.079 -2.728 5.792 1.00 0.00 C ATOM 72 N1 DT A 3 3.482 -3.205 7.154 1.00 0.00 N ATOM 73 C2 DT A 3 4.728 -2.798 7.652 1.00 0.00 C ATOM 74 O2 DT A 3 5.511 -2.092 7.018 1.00 0.00 O ATOM 75 N3 DT A 3 5.067 -3.238 8.927 1.00 0.00 N ATOM 76 C4 DT A 3 4.294 -4.061 9.738 1.00 0.00 C ATOM 77 O4 DT A 3 4.712 -4.403 10.842 1.00 0.00 O ATOM 78 C5 DT A 3 3.017 -4.443 9.155 1.00 0.00 C ATOM 79 C7 DT A 3 2.063 -5.323 9.945 1.00 0.00 C ATOM 80 C6 DT A 3 2.666 -4.023 7.912 1.00 0.00 C ATOM 0 H5' DT A 3 0.323 -2.973 6.996 1.00 0.00 H new ATOM 0 H5'' DT A 3 -0.536 -1.482 6.666 1.00 0.00 H new ATOM 0 H4' DT A 3 0.507 -1.157 4.626 1.00 0.00 H new ATOM 0 H3' DT A 3 0.517 -3.728 3.926 1.00 0.00 H new ATOM 0 H2' DT A 3 2.147 -4.670 5.418 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.236 -4.157 4.145 1.00 0.00 H new ATOM 0 H1' DT A 3 4.017 -2.400 5.345 1.00 0.00 H new ATOM 0 H3 DT A 3 5.964 -2.929 9.301 1.00 0.00 H new ATOM 0 H71 DT A 3 1.036 -5.091 9.663 1.00 0.00 H new ATOM 0 H72 DT A 3 2.270 -6.371 9.728 1.00 0.00 H new ATOM 0 H73 DT A 3 2.197 -5.140 11.011 1.00 0.00 H new ATOM 0 H6 DT A 3 1.718 -4.339 7.502 1.00 0.00 H new ATOM 93 P DG A 4 0.706 -2.037 1.804 1.00 0.00 P ATOM 94 OP1 DG A 4 -0.457 -2.951 1.840 1.00 0.00 O ATOM 95 OP2 DG A 4 1.455 -1.863 0.538 1.00 0.00 O ATOM 96 O5' DG A 4 0.211 -0.584 2.309 1.00 0.00 O ATOM 97 C5' DG A 4 0.915 0.608 2.006 1.00 0.00 C ATOM 98 C4' DG A 4 0.705 1.626 3.130 1.00 0.00 C ATOM 99 O4' DG A 4 1.466 1.230 4.259 1.00 0.00 O ATOM 100 C3' DG A 4 1.182 3.035 2.741 1.00 0.00 C ATOM 101 O3' DG A 4 0.158 3.971 3.059 1.00 0.00 O ATOM 102 C2' DG A 4 2.423 3.224 3.612 1.00 0.00 C ATOM 103 C1' DG A 4 2.046 2.384 4.826 1.00 0.00 C ATOM 104 N9 DG A 4 3.175 2.032 5.719 1.00 0.00 N ATOM 105 C8 DG A 4 4.526 2.230 5.576 1.00 0.00 C ATOM 106 N7 DG A 4 5.245 1.753 6.556 1.00 0.00 N ATOM 107 C5 DG A 4 4.310 1.176 7.412 1.00 0.00 C ATOM 108 C6 DG A 4 4.480 0.473 8.654 1.00 0.00 C ATOM 109 O6 DG A 4 5.511 0.244 9.282 1.00 0.00 O ATOM 110 N1 DG A 4 3.274 -0.005 9.159 1.00 0.00 N ATOM 111 C2 DG A 4 2.047 0.204 8.564 1.00 0.00 C ATOM 112 N2 DG A 4 0.996 -0.373 9.136 1.00 0.00 N ATOM 113 N3 DG A 4 1.871 0.916 7.444 1.00 0.00 N ATOM 114 C4 DG A 4 3.041 1.354 6.905 1.00 0.00 C ATOM 0 H5' DG A 4 0.565 1.019 1.059 1.00 0.00 H new ATOM 0 H5'' DG A 4 1.977 0.395 1.888 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.365 1.656 3.338 1.00 0.00 H new ATOM 0 H3' DG A 4 1.402 3.172 1.682 1.00 0.00 H new ATOM 0 H2' DG A 4 3.329 2.864 3.125 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.593 4.270 3.869 1.00 0.00 H new ATOM 0 H1' DG A 4 1.383 2.943 5.487 1.00 0.00 H new ATOM 0 H8 DG A 4 4.957 2.737 4.726 1.00 0.00 H new ATOM 0 H1 DG A 4 3.299 -0.544 10.024 1.00 0.00 H new ATOM 0 H21 DG A 4 0.066 -0.250 8.736 1.00 0.00 H new ATOM 0 H22 DG A 4 1.119 -0.939 9.976 1.00 0.00 H new ATOM 126 P DC A 5 0.125 5.469 2.446 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.256 5.982 2.589 1.00 0.00 O ATOM 128 OP2 DC A 5 0.749 5.443 1.104 1.00 0.00 O ATOM 129 O5' DC A 5 1.097 6.309 3.432 1.00 0.00 O ATOM 130 C5' DC A 5 0.621 7.054 4.543 1.00 0.00 C ATOM 131 C4' DC A 5 0.045 6.170 5.659 1.00 0.00 C ATOM 132 O4' DC A 5 1.004 5.213 6.094 1.00 0.00 O ATOM 133 C3' DC A 5 -0.315 7.018 6.887 1.00 0.00 C ATOM 134 O3' DC A 5 -1.523 6.571 7.469 1.00 0.00 O ATOM 135 C2' DC A 5 0.803 6.689 7.864 1.00 0.00 C ATOM 136 C1' DC A 5 1.011 5.223 7.509 1.00 0.00 C ATOM 137 N1 DC A 5 2.265 4.686 8.106 1.00 0.00 N ATOM 138 C2 DC A 5 2.171 3.962 9.302 1.00 0.00 C ATOM 139 O2 DC A 5 1.080 3.656 9.779 1.00 0.00 O ATOM 140 N3 DC A 5 3.319 3.604 9.944 1.00 0.00 N ATOM 141 C4 DC A 5 4.522 3.931 9.455 1.00 0.00 C ATOM 142 N4 DC A 5 5.610 3.565 10.140 1.00 0.00 N ATOM 143 C5 DC A 5 4.646 4.663 8.224 1.00 0.00 C ATOM 144 C6 DC A 5 3.499 5.017 7.592 1.00 0.00 C ATOM 0 H5' DC A 5 -0.148 7.749 4.205 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.437 7.654 4.947 1.00 0.00 H new ATOM 0 H4' DC A 5 -0.836 5.677 5.249 1.00 0.00 H new ATOM 0 H3' DC A 5 -0.427 8.074 6.640 1.00 0.00 H new ATOM 0 H2' DC A 5 1.696 7.292 7.700 1.00 0.00 H new ATOM 0 H2'' DC A 5 0.508 6.832 8.904 1.00 0.00 H new ATOM 0 H1' DC A 5 0.239 4.567 7.912 1.00 0.00 H new ATOM 0 H41 DC A 5 6.538 3.802 9.788 1.00 0.00 H new ATOM 0 H42 DC A 5 5.512 3.049 11.014 1.00 0.00 H new ATOM 0 H5 DC A 5 5.613 4.921 7.819 1.00 0.00 H new ATOM 0 H6 DC A 5 3.555 5.570 6.666 1.00 0.00 H new ATOM 156 P DA A 6 -2.939 7.273 7.196 1.00 0.00 P ATOM 157 OP1 DA A 6 -3.369 6.923 5.825 1.00 0.00 O ATOM 158 OP2 DA A 6 -2.831 8.693 7.603 1.00 0.00 O ATOM 159 O5' DA A 6 -3.874 6.483 8.255 1.00 0.00 O ATOM 160 C5' DA A 6 -3.927 6.829 9.634 1.00 0.00 C ATOM 161 C4' DA A 6 -3.565 5.668 10.568 1.00 0.00 C ATOM 162 O4' DA A 6 -4.462 4.579 10.396 1.00 0.00 O ATOM 163 C3' DA A 6 -2.150 5.101 10.335 1.00 0.00 C ATOM 164 O3' DA A 6 -1.414 4.912 11.529 1.00 0.00 O ATOM 165 C2' DA A 6 -2.429 3.726 9.758 1.00 0.00 C ATOM 166 C1' DA A 6 -3.685 3.415 10.566 1.00 0.00 C ATOM 167 N9 DA A 6 -4.411 2.201 10.136 1.00 0.00 N ATOM 168 C8 DA A 6 -4.581 1.687 8.873 1.00 0.00 C ATOM 169 N7 DA A 6 -5.250 0.567 8.840 1.00 0.00 N ATOM 170 C5 DA A 6 -5.509 0.294 10.182 1.00 0.00 C ATOM 171 C6 DA A 6 -6.176 -0.760 10.852 1.00 0.00 C ATOM 172 N6 DA A 6 -6.755 -1.786 10.223 1.00 0.00 N ATOM 173 N1 DA A 6 -6.211 -0.756 12.201 1.00 0.00 N ATOM 174 C2 DA A 6 -5.594 0.229 12.853 1.00 0.00 C ATOM 175 N3 DA A 6 -4.967 1.289 12.347 1.00 0.00 N ATOM 176 C4 DA A 6 -4.966 1.270 10.982 1.00 0.00 C ATOM 0 H5' DA A 6 -4.931 7.180 9.875 1.00 0.00 H new ATOM 0 H5'' DA A 6 -3.246 7.660 9.819 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.622 6.096 11.569 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.563 5.779 9.715 1.00 0.00 H new ATOM 0 H2' DA A 6 -2.607 3.743 8.683 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.621 3.017 9.936 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.444 3.185 11.604 1.00 0.00 H new ATOM 0 H8 DA A 6 -4.195 2.167 7.986 1.00 0.00 H new ATOM 0 H61 DA A 6 -7.221 -2.516 10.761 1.00 0.00 H new ATOM 0 H62 DA A 6 -6.731 -1.839 9.205 1.00 0.00 H new ATOM 0 H2 DA A 6 -5.604 0.158 13.931 1.00 0.00 H new ATOM 188 P DT A 7 -0.882 6.134 12.426 1.00 0.00 P ATOM 189 OP1 DT A 7 -1.865 6.385 13.505 1.00 0.00 O ATOM 190 OP2 DT A 7 -0.464 7.236 11.529 1.00 0.00 O ATOM 191 O5' DT A 7 0.439 5.476 13.065 1.00 0.00 O ATOM 192 C5' DT A 7 0.382 4.328 13.895 1.00 0.00 C ATOM 193 C4' DT A 7 1.531 4.343 14.904 1.00 0.00 C ATOM 194 O4' DT A 7 2.764 4.284 14.211 1.00 0.00 O ATOM 195 C3' DT A 7 1.514 5.621 15.755 1.00 0.00 C ATOM 196 O3' DT A 7 1.506 5.351 17.148 1.00 0.00 O ATOM 197 C2' DT A 7 2.771 6.381 15.351 1.00 0.00 C ATOM 198 C1' DT A 7 3.618 5.331 14.624 1.00 0.00 C ATOM 199 N1 DT A 7 4.340 5.862 13.430 1.00 0.00 N ATOM 200 C2 DT A 7 5.734 5.742 13.377 1.00 0.00 C ATOM 201 O2 DT A 7 6.404 5.217 14.264 1.00 0.00 O ATOM 202 N3 DT A 7 6.358 6.268 12.250 1.00 0.00 N ATOM 203 C4 DT A 7 5.726 6.908 11.190 1.00 0.00 C ATOM 204 O4 DT A 7 6.391 7.326 10.245 1.00 0.00 O ATOM 205 C5 DT A 7 4.280 7.014 11.331 1.00 0.00 C ATOM 206 C7 DT A 7 3.466 7.711 10.257 1.00 0.00 C ATOM 207 C6 DT A 7 3.651 6.496 12.417 1.00 0.00 C ATOM 0 H5' DT A 7 0.437 3.427 13.284 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.572 4.299 14.421 1.00 0.00 H new ATOM 0 H4' DT A 7 1.411 3.481 15.561 1.00 0.00 H new ATOM 0 H3' DT A 7 0.604 6.195 15.577 1.00 0.00 H new ATOM 0 H2' DT A 7 2.537 7.225 14.702 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.292 6.783 16.220 1.00 0.00 H new ATOM 0 H1' DT A 7 4.381 4.991 15.324 1.00 0.00 H new ATOM 0 H3 DT A 7 7.372 6.175 12.197 1.00 0.00 H new ATOM 0 H71 DT A 7 2.470 7.271 10.213 1.00 0.00 H new ATOM 0 H72 DT A 7 3.385 8.772 10.493 1.00 0.00 H new ATOM 0 H73 DT A 7 3.958 7.591 9.292 1.00 0.00 H new ATOM 0 H6 DT A 7 2.577 6.583 12.490 1.00 0.00 H new ATOM 220 P DG A 8 0.164 4.876 17.926 1.00 0.00 P ATOM 221 OP1 DG A 8 -1.020 5.381 17.191 1.00 0.00 O ATOM 222 OP2 DG A 8 0.327 5.206 19.359 1.00 0.00 O ATOM 223 O5' DG A 8 0.180 3.268 17.773 1.00 0.00 O ATOM 224 C5' DG A 8 1.157 2.477 18.422 1.00 0.00 C ATOM 225 C4' DG A 8 0.824 0.993 18.241 1.00 0.00 C ATOM 226 O4' DG A 8 0.779 0.631 16.868 1.00 0.00 O ATOM 227 C3' DG A 8 1.853 0.087 18.928 1.00 0.00 C ATOM 228 O3' DG A 8 1.380 -0.386 20.173 1.00 0.00 O ATOM 229 C2' DG A 8 2.007 -1.058 17.932 1.00 0.00 C ATOM 230 C1' DG A 8 1.757 -0.358 16.597 1.00 0.00 C ATOM 231 N9 DG A 8 2.958 0.278 15.992 1.00 0.00 N ATOM 232 C8 DG A 8 4.221 0.485 16.497 1.00 0.00 C ATOM 233 N7 DG A 8 5.040 1.073 15.668 1.00 0.00 N ATOM 234 C5 DG A 8 4.276 1.278 14.524 1.00 0.00 C ATOM 235 C6 DG A 8 4.621 1.870 13.262 1.00 0.00 C ATOM 236 O6 DG A 8 5.693 2.349 12.898 1.00 0.00 O ATOM 237 N1 DG A 8 3.554 1.871 12.370 1.00 0.00 N ATOM 238 C2 DG A 8 2.302 1.369 12.655 1.00 0.00 C ATOM 239 N2 DG A 8 1.395 1.436 11.686 1.00 0.00 N ATOM 240 N3 DG A 8 1.971 0.808 13.827 1.00 0.00 N ATOM 241 C4 DG A 8 3.000 0.793 14.720 1.00 0.00 C ATOM 0 H5' DG A 8 1.193 2.725 19.483 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.144 2.691 18.011 1.00 0.00 H new ATOM 0 H4' DG A 8 -0.155 0.852 18.699 1.00 0.00 H new ATOM 0 H3' DG A 8 2.788 0.598 19.156 1.00 0.00 H new ATOM 0 H2' DG A 8 2.999 -1.507 17.977 1.00 0.00 H new ATOM 0 H2'' DG A 8 1.288 -1.856 18.114 1.00 0.00 H new ATOM 0 HO3' DG A 8 2.059 -0.962 20.584 1.00 0.00 H new ATOM 0 H1' DG A 8 1.444 -1.101 15.864 1.00 0.00 H new ATOM 0 H8 DG A 8 4.510 0.187 17.494 1.00 0.00 H new ATOM 0 H1 DG A 8 3.708 2.269 11.444 1.00 0.00 H new ATOM 0 H21 DG A 8 0.453 1.079 11.844 1.00 0.00 H new ATOM 0 H22 DG A 8 1.641 1.845 10.784 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 3.776 -2.603 1.006 1.00 0.00 NA HETATM 256 NA NA A 102 -1.138 8.672 9.565 1.00 0.00 NA HETATM 257 NA NA A 103 -5.226 -3.248 12.398 1.00 0.00 NA HETATM 258 NA NA A 104 -2.631 4.877 15.376 1.00 0.00 NA HETATM 259 NA NA A 105 -3.549 6.113 3.516 1.00 0.00 NA HETATM 260 NA NA A 106 -2.432 -3.449 3.280 1.00 0.00 NA HETATM 261 NA NA A 107 0.463 5.897 -1.292 1.00 0.00 NA