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= -0.312 (180deg=-0.312) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -0.807 -6.035 17.328 1.00 0.00 O ATOM 2 C5' DC A 1 0.256 -5.243 16.838 1.00 0.00 C ATOM 3 C4' DC A 1 -0.230 -4.341 15.702 1.00 0.00 C ATOM 4 O4' DC A 1 0.808 -3.454 15.335 1.00 0.00 O ATOM 5 C3' DC A 1 -0.638 -5.117 14.440 1.00 0.00 C ATOM 6 O3' DC A 1 -1.990 -4.807 14.128 1.00 0.00 O ATOM 7 C2' DC A 1 0.341 -4.600 13.386 1.00 0.00 C ATOM 8 C1' DC A 1 0.725 -3.230 13.943 1.00 0.00 C ATOM 9 N1 DC A 1 2.004 -2.724 13.361 1.00 0.00 N ATOM 10 C2 DC A 1 1.948 -1.997 12.165 1.00 0.00 C ATOM 11 O2 DC A 1 0.876 -1.770 11.609 1.00 0.00 O ATOM 12 N3 DC A 1 3.109 -1.525 11.624 1.00 0.00 N ATOM 13 C4 DC A 1 4.288 -1.728 12.228 1.00 0.00 C ATOM 14 N4 DC A 1 5.390 -1.224 11.666 1.00 0.00 N ATOM 15 C5 DC A 1 4.373 -2.462 13.462 1.00 0.00 C ATOM 16 C6 DC A 1 3.216 -2.939 13.984 1.00 0.00 C ATOM 0 H5' DC A 1 1.062 -5.885 16.482 1.00 0.00 H new ATOM 0 H5'' DC A 1 0.666 -4.634 17.644 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.109 -3.819 16.080 1.00 0.00 H new ATOM 0 H3' DC A 1 -0.592 -6.202 14.530 1.00 0.00 H new ATOM 0 H2' DC A 1 1.207 -5.253 13.280 1.00 0.00 H new ATOM 0 H2'' DC A 1 -0.123 -4.524 12.403 1.00 0.00 H new ATOM 0 HO5' DC A 1 -0.481 -6.608 18.053 1.00 0.00 H new ATOM 0 H1' DC A 1 0.004 -2.452 13.692 1.00 0.00 H new ATOM 0 H41 DC A 1 6.298 -1.366 12.108 1.00 0.00 H new ATOM 0 H42 DC A 1 5.323 -0.697 10.795 1.00 0.00 H new ATOM 0 H5 DC A 1 5.321 -2.627 13.953 1.00 0.00 H new ATOM 0 H6 DC A 1 3.244 -3.499 14.907 1.00 0.00 H new ATOM 29 P DT A 2 -2.900 -5.716 13.143 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.306 -5.582 13.585 1.00 0.00 O ATOM 31 OP2 DT A 2 -2.310 -7.070 13.042 1.00 0.00 O ATOM 32 O5' DT A 2 -2.758 -4.992 11.715 1.00 0.00 O ATOM 33 C5' DT A 2 -3.548 -5.369 10.601 1.00 0.00 C ATOM 34 C4' DT A 2 -3.256 -4.476 9.384 1.00 0.00 C ATOM 35 O4' DT A 2 -3.686 -3.148 9.670 1.00 0.00 O ATOM 36 C3' DT A 2 -1.756 -4.434 9.037 1.00 0.00 C ATOM 37 O3' DT A 2 -1.431 -4.571 7.647 1.00 0.00 O ATOM 38 C2' DT A 2 -1.324 -3.124 9.680 1.00 0.00 C ATOM 39 C1' DT A 2 -2.580 -2.264 9.592 1.00 0.00 C ATOM 40 N1 DT A 2 -2.588 -1.234 10.665 1.00 0.00 N ATOM 41 C2 DT A 2 -2.144 0.051 10.344 1.00 0.00 C ATOM 42 O2 DT A 2 -1.904 0.422 9.195 1.00 0.00 O ATOM 43 N3 DT A 2 -1.971 0.927 11.405 1.00 0.00 N ATOM 44 C4 DT A 2 -2.197 0.646 12.746 1.00 0.00 C ATOM 45 O4 DT A 2 -1.995 1.517 13.588 1.00 0.00 O ATOM 46 C5 DT A 2 -2.667 -0.708 13.001 1.00 0.00 C ATOM 47 C7 DT A 2 -2.957 -1.151 14.423 1.00 0.00 C ATOM 48 C6 DT A 2 -2.844 -1.583 11.976 1.00 0.00 C ATOM 0 H5' DT A 2 -4.604 -5.300 10.861 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.350 -6.410 10.347 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.791 -4.896 8.533 1.00 0.00 H new ATOM 0 H3' DT A 2 -1.212 -5.300 9.414 1.00 0.00 H new ATOM 0 H2' DT A 2 -1.006 -3.268 10.712 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.487 -2.671 9.148 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.623 -1.708 8.655 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.647 1.867 11.179 1.00 0.00 H new ATOM 0 H71 DT A 2 -3.746 -1.903 14.416 1.00 0.00 H new ATOM 0 H72 DT A 2 -2.055 -1.576 14.863 1.00 0.00 H new ATOM 0 H73 DT A 2 -3.279 -0.293 15.013 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.195 -2.581 12.194 1.00 0.00 H new ATOM 61 P DT A 3 -1.966 -3.671 6.388 1.00 0.00 P ATOM 62 OP1 DT A 3 -3.376 -3.290 6.615 1.00 0.00 O ATOM 63 OP2 DT A 3 -1.635 -4.422 5.158 1.00 0.00 O ATOM 64 O5' DT A 3 -1.112 -2.291 6.329 1.00 0.00 O ATOM 65 C5' DT A 3 0.272 -2.211 6.623 1.00 0.00 C ATOM 66 C4' DT A 3 1.202 -1.967 5.430 1.00 0.00 C ATOM 67 O4' DT A 3 2.491 -1.705 5.959 1.00 0.00 O ATOM 68 C3' DT A 3 1.409 -3.134 4.462 1.00 0.00 C ATOM 69 O3' DT A 3 1.900 -2.683 3.206 1.00 0.00 O ATOM 70 C2' DT A 3 2.475 -3.961 5.170 1.00 0.00 C ATOM 71 C1' DT A 3 3.286 -2.879 5.902 1.00 0.00 C ATOM 72 N1 DT A 3 3.817 -3.248 7.255 1.00 0.00 N ATOM 73 C2 DT A 3 5.122 -2.843 7.568 1.00 0.00 C ATOM 74 O2 DT A 3 5.821 -2.167 6.813 1.00 0.00 O ATOM 75 N3 DT A 3 5.627 -3.251 8.798 1.00 0.00 N ATOM 76 C4 DT A 3 4.957 -4.024 9.737 1.00 0.00 C ATOM 77 O4 DT A 3 5.524 -4.351 10.778 1.00 0.00 O ATOM 78 C5 DT A 3 3.596 -4.372 9.363 1.00 0.00 C ATOM 79 C7 DT A 3 2.739 -5.186 10.318 1.00 0.00 C ATOM 80 C6 DT A 3 3.082 -3.982 8.167 1.00 0.00 C ATOM 0 H5' DT A 3 0.574 -3.139 7.109 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.423 -1.409 7.346 1.00 0.00 H new ATOM 0 H4' DT A 3 0.726 -1.165 4.865 1.00 0.00 H new ATOM 0 H3' DT A 3 0.489 -3.677 4.246 1.00 0.00 H new ATOM 0 H2' DT A 3 2.039 -4.682 5.862 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.088 -4.524 4.467 1.00 0.00 H new ATOM 0 H1' DT A 3 4.197 -2.727 5.323 1.00 0.00 H new ATOM 0 H3 DT A 3 6.575 -2.956 9.031 1.00 0.00 H new ATOM 0 H71 DT A 3 1.690 -4.921 10.182 1.00 0.00 H new ATOM 0 H72 DT A 3 2.875 -6.248 10.113 1.00 0.00 H new ATOM 0 H73 DT A 3 3.036 -4.973 11.345 1.00 0.00 H new ATOM 0 H6 DT A 3 2.066 -4.254 7.921 1.00 0.00 H new ATOM 93 P DG A 4 0.921 -2.290 1.980 1.00 0.00 P ATOM 94 OP1 DG A 4 -0.189 -3.267 1.941 1.00 0.00 O ATOM 95 OP2 DG A 4 1.756 -2.116 0.771 1.00 0.00 O ATOM 96 O5' DG A 4 0.304 -0.855 2.400 1.00 0.00 O ATOM 97 C5' DG A 4 0.917 0.369 2.028 1.00 0.00 C ATOM 98 C4' DG A 4 0.570 1.455 3.051 1.00 0.00 C ATOM 99 O4' DG A 4 1.257 1.172 4.258 1.00 0.00 O ATOM 100 C3' DG A 4 1.018 2.851 2.601 1.00 0.00 C ATOM 101 O3' DG A 4 0.026 3.792 2.993 1.00 0.00 O ATOM 102 C2' DG A 4 2.321 3.039 3.372 1.00 0.00 C ATOM 103 C1' DG A 4 1.969 2.320 4.671 1.00 0.00 C ATOM 104 N9 DG A 4 3.128 1.943 5.517 1.00 0.00 N ATOM 105 C8 DG A 4 4.477 2.009 5.264 1.00 0.00 C ATOM 106 N7 DG A 4 5.224 1.533 6.222 1.00 0.00 N ATOM 107 C5 DG A 4 4.313 1.107 7.184 1.00 0.00 C ATOM 108 C6 DG A 4 4.522 0.480 8.458 1.00 0.00 C ATOM 109 O6 DG A 4 5.581 0.187 9.010 1.00 0.00 O ATOM 110 N1 DG A 4 3.326 0.183 9.106 1.00 0.00 N ATOM 111 C2 DG A 4 2.077 0.470 8.598 1.00 0.00 C ATOM 112 N2 DG A 4 1.031 0.066 9.312 1.00 0.00 N ATOM 113 N3 DG A 4 1.872 1.089 7.426 1.00 0.00 N ATOM 114 C4 DG A 4 3.028 1.370 6.761 1.00 0.00 C ATOM 0 H5' DG A 4 0.578 0.669 1.036 1.00 0.00 H new ATOM 0 H5'' DG A 4 1.998 0.242 1.971 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.514 1.453 3.169 1.00 0.00 H new ATOM 0 H3' DG A 4 1.153 2.976 1.527 1.00 0.00 H new ATOM 0 H2' DG A 4 3.174 2.588 2.865 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.563 4.090 3.530 1.00 0.00 H new ATOM 0 H1' DG A 4 1.399 2.989 5.315 1.00 0.00 H new ATOM 0 H8 DG A 4 4.884 2.419 4.351 1.00 0.00 H new ATOM 0 H1 DG A 4 3.377 -0.277 10.015 1.00 0.00 H new ATOM 0 H21 DG A 4 0.085 0.253 8.981 1.00 0.00 H new ATOM 0 H22 DG A 4 1.175 -0.431 10.191 1.00 0.00 H new ATOM 126 P DC A 5 -0.071 5.277 2.359 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.436 5.784 2.629 1.00 0.00 O ATOM 128 OP2 DC A 5 0.422 5.229 0.965 1.00 0.00 O ATOM 129 O5' DC A 5 0.984 6.139 3.237 1.00 0.00 O ATOM 130 C5' DC A 5 0.602 6.905 4.368 1.00 0.00 C ATOM 131 C4' DC A 5 0.296 6.029 5.590 1.00 0.00 C ATOM 132 O4' DC A 5 1.419 5.245 5.961 1.00 0.00 O ATOM 133 C3' DC A 5 -0.046 6.891 6.813 1.00 0.00 C ATOM 134 O3' DC A 5 -1.323 6.587 7.341 1.00 0.00 O ATOM 135 C2' DC A 5 0.998 6.486 7.840 1.00 0.00 C ATOM 136 C1' DC A 5 1.365 5.088 7.364 1.00 0.00 C ATOM 137 N1 DC A 5 2.637 4.639 7.997 1.00 0.00 N ATOM 138 C2 DC A 5 2.562 4.025 9.255 1.00 0.00 C ATOM 139 O2 DC A 5 1.480 3.836 9.808 1.00 0.00 O ATOM 140 N3 DC A 5 3.717 3.633 9.864 1.00 0.00 N ATOM 141 C4 DC A 5 4.908 3.825 9.283 1.00 0.00 C ATOM 142 N4 DC A 5 5.998 3.403 9.927 1.00 0.00 N ATOM 143 C5 DC A 5 5.014 4.460 7.997 1.00 0.00 C ATOM 144 C6 DC A 5 3.860 4.844 7.395 1.00 0.00 C ATOM 0 H5' DC A 5 -0.278 7.499 4.121 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.400 7.605 4.616 1.00 0.00 H new ATOM 0 H4' DC A 5 -0.543 5.395 5.304 1.00 0.00 H new ATOM 0 H3' DC A 5 -0.053 7.950 6.557 1.00 0.00 H new ATOM 0 H2' DC A 5 1.856 7.158 7.840 1.00 0.00 H new ATOM 0 H2'' DC A 5 0.597 6.482 8.853 1.00 0.00 H new ATOM 0 H1' DC A 5 0.662 4.302 7.640 1.00 0.00 H new ATOM 0 H41 DC A 5 6.920 3.535 9.510 1.00 0.00 H new ATOM 0 H42 DC A 5 5.909 2.949 10.836 1.00 0.00 H new ATOM 0 H5 DC A 5 5.973 4.625 7.529 1.00 0.00 H new ATOM 0 H6 DC A 5 3.901 5.319 6.426 1.00 0.00 H new ATOM 156 P DA A 6 -2.620 7.490 7.030 1.00 0.00 P ATOM 157 OP1 DA A 6 -3.410 6.849 5.956 1.00 0.00 O ATOM 158 OP2 DA A 6 -2.200 8.903 6.910 1.00 0.00 O ATOM 159 O5' DA A 6 -3.402 7.357 8.430 1.00 0.00 O ATOM 160 C5' DA A 6 -4.035 6.159 8.832 1.00 0.00 C ATOM 161 C4' DA A 6 -3.869 6.023 10.349 1.00 0.00 C ATOM 162 O4' DA A 6 -4.714 4.995 10.841 1.00 0.00 O ATOM 163 C3' DA A 6 -2.443 5.649 10.750 1.00 0.00 C ATOM 164 O3' DA A 6 -2.212 6.122 12.067 1.00 0.00 O ATOM 165 C2' DA A 6 -2.494 4.128 10.712 1.00 0.00 C ATOM 166 C1' DA A 6 -3.933 3.858 11.166 1.00 0.00 C ATOM 167 N9 DA A 6 -4.554 2.650 10.572 1.00 0.00 N ATOM 168 C8 DA A 6 -4.538 2.210 9.270 1.00 0.00 C ATOM 169 N7 DA A 6 -5.168 1.085 9.076 1.00 0.00 N ATOM 170 C5 DA A 6 -5.627 0.738 10.343 1.00 0.00 C ATOM 171 C6 DA A 6 -6.368 -0.361 10.841 1.00 0.00 C ATOM 172 N6 DA A 6 -6.811 -1.363 10.073 1.00 0.00 N ATOM 173 N1 DA A 6 -6.650 -0.408 12.159 1.00 0.00 N ATOM 174 C2 DA A 6 -6.218 0.579 12.943 1.00 0.00 C ATOM 175 N3 DA A 6 -5.519 1.662 12.603 1.00 0.00 N ATOM 176 C4 DA A 6 -5.253 1.686 11.265 1.00 0.00 C ATOM 0 H5' DA A 6 -3.592 5.304 8.322 1.00 0.00 H new ATOM 0 H5'' DA A 6 -5.091 6.178 8.564 1.00 0.00 H new ATOM 0 H4' DA A 6 -4.123 6.996 10.770 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.654 6.062 10.121 1.00 0.00 H new ATOM 0 H2' DA A 6 -2.299 3.736 9.714 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.761 3.676 11.381 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.897 3.669 12.239 1.00 0.00 H new ATOM 0 H8 DA A 6 -4.045 2.750 8.475 1.00 0.00 H new ATOM 0 H61 DA A 6 -7.341 -2.129 10.489 1.00 0.00 H new ATOM 0 H62 DA A 6 -6.619 -1.361 9.071 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.467 0.490 13.990 1.00 0.00 H new ATOM 188 P DT A 7 -0.819 6.797 12.517 1.00 0.00 P ATOM 189 OP1 DT A 7 -1.034 7.408 13.847 1.00 0.00 O ATOM 190 OP2 DT A 7 -0.321 7.636 11.402 1.00 0.00 O ATOM 191 O5' DT A 7 0.167 5.531 12.682 1.00 0.00 O ATOM 192 C5' DT A 7 0.000 4.547 13.693 1.00 0.00 C ATOM 193 C4' DT A 7 1.261 4.425 14.560 1.00 0.00 C ATOM 194 O4' DT A 7 2.388 4.286 13.715 1.00 0.00 O ATOM 195 C3' DT A 7 1.497 5.653 15.453 1.00 0.00 C ATOM 196 O3' DT A 7 1.530 5.342 16.836 1.00 0.00 O ATOM 197 C2' DT A 7 2.841 6.220 15.019 1.00 0.00 C ATOM 198 C1' DT A 7 3.444 5.113 14.152 1.00 0.00 C ATOM 199 N1 DT A 7 4.167 5.658 12.968 1.00 0.00 N ATOM 200 C2 DT A 7 5.554 5.486 12.881 1.00 0.00 C ATOM 201 O2 DT A 7 6.209 4.841 13.698 1.00 0.00 O ATOM 202 N3 DT A 7 6.188 6.113 11.813 1.00 0.00 N ATOM 203 C4 DT A 7 5.574 6.911 10.853 1.00 0.00 C ATOM 204 O4 DT A 7 6.248 7.416 9.958 1.00 0.00 O ATOM 205 C5 DT A 7 4.136 7.062 11.030 1.00 0.00 C ATOM 206 C7 DT A 7 3.339 7.928 10.071 1.00 0.00 C ATOM 207 C6 DT A 7 3.496 6.436 12.049 1.00 0.00 C ATOM 0 H5' DT A 7 -0.224 3.584 13.234 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.853 4.807 14.320 1.00 0.00 H new ATOM 0 H4' DT A 7 1.118 3.558 15.205 1.00 0.00 H new ATOM 0 H3' DT A 7 0.675 6.359 15.334 1.00 0.00 H new ATOM 0 H2' DT A 7 2.721 7.147 14.458 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.475 6.446 15.876 1.00 0.00 H new ATOM 0 H1' DT A 7 4.170 4.558 14.745 1.00 0.00 H new ATOM 0 H3 DT A 7 7.195 5.975 11.726 1.00 0.00 H new ATOM 0 H71 DT A 7 2.323 7.541 9.989 1.00 0.00 H new ATOM 0 H72 DT A 7 3.308 8.951 10.445 1.00 0.00 H new ATOM 0 H73 DT A 7 3.813 7.915 9.089 1.00 0.00 H new ATOM 0 H6 DT A 7 2.426 6.551 12.143 1.00 0.00 H new ATOM 220 P DG A 8 0.208 4.896 17.659 1.00 0.00 P ATOM 221 OP1 DG A 8 -0.992 5.384 16.942 1.00 0.00 O ATOM 222 OP2 DG A 8 0.420 5.283 19.072 1.00 0.00 O ATOM 223 O5' DG A 8 0.234 3.288 17.564 1.00 0.00 O ATOM 224 C5' DG A 8 1.248 2.523 18.192 1.00 0.00 C ATOM 225 C4' DG A 8 0.864 1.043 18.148 1.00 0.00 C ATOM 226 O4' DG A 8 0.723 0.591 16.810 1.00 0.00 O ATOM 227 C3' DG A 8 1.906 0.144 18.828 1.00 0.00 C ATOM 228 O3' DG A 8 1.503 -0.243 20.126 1.00 0.00 O ATOM 229 C2' DG A 8 1.971 -1.059 17.893 1.00 0.00 C ATOM 230 C1' DG A 8 1.679 -0.416 16.537 1.00 0.00 C ATOM 231 N9 DG A 8 2.866 0.167 15.858 1.00 0.00 N ATOM 232 C8 DG A 8 4.175 0.273 16.265 1.00 0.00 C ATOM 233 N7 DG A 8 4.971 0.801 15.376 1.00 0.00 N ATOM 234 C5 DG A 8 4.136 1.091 14.302 1.00 0.00 C ATOM 235 C6 DG A 8 4.426 1.673 13.022 1.00 0.00 C ATOM 236 O6 DG A 8 5.507 2.042 12.570 1.00 0.00 O ATOM 237 N1 DG A 8 3.288 1.807 12.231 1.00 0.00 N ATOM 238 C2 DG A 8 2.017 1.443 12.632 1.00 0.00 C ATOM 239 N2 DG A 8 1.013 1.725 11.809 1.00 0.00 N ATOM 240 N3 DG A 8 1.743 0.868 13.812 1.00 0.00 N ATOM 241 C4 DG A 8 2.843 0.720 14.601 1.00 0.00 C ATOM 0 H5' DG A 8 1.377 2.847 19.225 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.202 2.678 17.688 1.00 0.00 H new ATOM 0 H4' DG A 8 -0.082 0.971 18.685 1.00 0.00 H new ATOM 0 H3' DG A 8 2.866 0.641 18.971 1.00 0.00 H new ATOM 0 H2' DG A 8 2.948 -1.542 17.915 1.00 0.00 H new ATOM 0 H2'' DG A 8 1.234 -1.819 18.152 1.00 0.00 H new ATOM 0 HO3' DG A 8 2.191 -0.815 20.525 1.00 0.00 H new ATOM 0 H1' DG A 8 1.329 -1.179 15.841 1.00 0.00 H new ATOM 0 H8 DG A 8 4.515 -0.053 17.237 1.00 0.00 H new ATOM 0 H1 DG A 8 3.400 2.199 11.296 1.00 0.00 H new ATOM 0 H21 DG A 8 0.058 1.474 12.065 1.00 0.00 H new ATOM 0 H22 DG A 8 1.197 2.192 10.921 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 1.053 -4.390 -0.172 1.00 0.00 NA HETATM 256 NA NA A 102 -1.421 8.865 9.502 1.00 0.00 NA HETATM 257 NA NA A 103 -4.541 -8.153 13.776 1.00 0.00 NA HETATM 258 NA NA A 104 2.726 6.244 19.051 1.00 0.00 NA HETATM 259 NA NA A 105 -3.640 6.354 3.556 1.00 0.00 NA HETATM 260 NA NA A 106 -1.847 -2.368 3.630 1.00 0.00 NA HETATM 261 NA NA A 107 -2.677 6.227 15.312 1.00 0.00 NA