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 (180deg=0) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 0.111 -5.532 17.564 1.00 0.00 O ATOM 2 C5' DC A 1 0.606 -4.426 16.839 1.00 0.00 C ATOM 3 C4' DC A 1 -0.458 -3.886 15.873 1.00 0.00 C ATOM 4 O4' DC A 1 0.059 -2.735 15.221 1.00 0.00 O ATOM 5 C3' DC A 1 -0.833 -4.896 14.780 1.00 0.00 C ATOM 6 O3' DC A 1 -2.190 -4.690 14.416 1.00 0.00 O ATOM 7 C2' DC A 1 0.149 -4.524 13.673 1.00 0.00 C ATOM 8 C1' DC A 1 0.223 -3.006 13.840 1.00 0.00 C ATOM 9 N1 DC A 1 1.488 -2.423 13.305 1.00 0.00 N ATOM 10 C2 DC A 1 1.442 -1.660 12.131 1.00 0.00 C ATOM 11 O2 DC A 1 0.373 -1.323 11.631 1.00 0.00 O ATOM 12 N3 DC A 1 2.613 -1.283 11.540 1.00 0.00 N ATOM 13 C4 DC A 1 3.797 -1.591 12.086 1.00 0.00 C ATOM 14 N4 DC A 1 4.909 -1.206 11.454 1.00 0.00 N ATOM 15 C5 DC A 1 3.871 -2.322 13.324 1.00 0.00 C ATOM 16 C6 DC A 1 2.701 -2.723 13.883 1.00 0.00 C ATOM 0 H5' DC A 1 1.495 -4.720 16.281 1.00 0.00 H new ATOM 0 H5'' DC A 1 0.909 -3.639 17.530 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.347 -3.668 16.466 1.00 0.00 H new ATOM 0 H3' DC A 1 -0.765 -5.949 15.051 1.00 0.00 H new ATOM 0 H2' DC A 1 1.120 -5.001 13.807 1.00 0.00 H new ATOM 0 H2'' DC A 1 -0.214 -4.812 12.687 1.00 0.00 H new ATOM 0 HO5' DC A 1 0.805 -5.862 18.172 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.566 -2.532 13.255 1.00 0.00 H new ATOM 0 H41 DC A 1 5.823 -1.428 11.849 1.00 0.00 H new ATOM 0 H42 DC A 1 4.844 -0.690 10.577 1.00 0.00 H new ATOM 0 H5 DC A 1 4.820 -2.543 13.790 1.00 0.00 H new ATOM 0 H6 DC A 1 2.722 -3.290 14.802 1.00 0.00 H new ATOM 29 P DT A 2 -3.022 -5.736 13.506 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.462 -5.493 13.740 1.00 0.00 O ATOM 31 OP2 DT A 2 -2.484 -7.099 13.714 1.00 0.00 O ATOM 32 O5' DT A 2 -2.679 -5.273 12.005 1.00 0.00 O ATOM 33 C5' DT A 2 -3.275 -5.890 10.878 1.00 0.00 C ATOM 34 C4' DT A 2 -2.924 -5.110 9.604 1.00 0.00 C ATOM 35 O4' DT A 2 -3.526 -3.822 9.668 1.00 0.00 O ATOM 36 C3' DT A 2 -1.408 -4.961 9.420 1.00 0.00 C ATOM 37 O3' DT A 2 -1.003 -5.480 8.153 1.00 0.00 O ATOM 38 C2' DT A 2 -1.179 -3.481 9.720 1.00 0.00 C ATOM 39 C1' DT A 2 -2.540 -2.819 9.513 1.00 0.00 C ATOM 40 N1 DT A 2 -2.715 -1.686 10.464 1.00 0.00 N ATOM 41 C2 DT A 2 -2.327 -0.415 10.034 1.00 0.00 C ATOM 42 O2 DT A 2 -2.113 -0.138 8.855 1.00 0.00 O ATOM 43 N3 DT A 2 -2.178 0.553 11.018 1.00 0.00 N ATOM 44 C4 DT A 2 -2.425 0.381 12.375 1.00 0.00 C ATOM 45 O4 DT A 2 -2.235 1.314 13.151 1.00 0.00 O ATOM 46 C5 DT A 2 -2.910 -0.945 12.731 1.00 0.00 C ATOM 47 C7 DT A 2 -3.273 -1.250 14.173 1.00 0.00 C ATOM 48 C6 DT A 2 -3.033 -1.914 11.787 1.00 0.00 C ATOM 0 H5' DT A 2 -4.357 -5.928 11.004 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.928 -6.920 10.791 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.305 -5.669 8.749 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.768 -5.548 10.079 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.821 -3.336 10.739 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.428 -3.055 9.055 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.627 -2.388 8.515 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.858 1.474 10.718 1.00 0.00 H new ATOM 0 H71 DT A 2 -4.062 -2.001 14.198 1.00 0.00 H new ATOM 0 H72 DT A 2 -2.395 -1.628 14.697 1.00 0.00 H new ATOM 0 H73 DT A 2 -3.623 -0.340 14.661 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.390 -2.890 12.080 1.00 0.00 H new ATOM 61 P DT A 3 -1.051 -4.700 6.734 1.00 0.00 P ATOM 62 OP1 DT A 3 -2.300 -3.913 6.640 1.00 0.00 O ATOM 63 OP2 DT A 3 -0.752 -5.679 5.666 1.00 0.00 O ATOM 64 O5' DT A 3 0.226 -3.720 6.849 1.00 0.00 O ATOM 65 C5' DT A 3 0.183 -2.325 6.612 1.00 0.00 C ATOM 66 C4' DT A 3 1.039 -1.935 5.392 1.00 0.00 C ATOM 67 O4' DT A 3 2.344 -1.593 5.826 1.00 0.00 O ATOM 68 C3' DT A 3 1.222 -3.029 4.329 1.00 0.00 C ATOM 69 O3' DT A 3 1.371 -2.499 3.019 1.00 0.00 O ATOM 70 C2' DT A 3 2.504 -3.733 4.770 1.00 0.00 C ATOM 71 C1' DT A 3 3.264 -2.621 5.505 1.00 0.00 C ATOM 72 N1 DT A 3 4.010 -3.041 6.734 1.00 0.00 N ATOM 73 C2 DT A 3 5.359 -2.676 6.846 1.00 0.00 C ATOM 74 O2 DT A 3 5.976 -2.079 5.965 1.00 0.00 O ATOM 75 N3 DT A 3 6.004 -3.025 8.028 1.00 0.00 N ATOM 76 C4 DT A 3 5.433 -3.698 9.102 1.00 0.00 C ATOM 77 O4 DT A 3 6.105 -3.935 10.103 1.00 0.00 O ATOM 78 C5 DT A 3 4.038 -4.065 8.904 1.00 0.00 C ATOM 79 C7 DT A 3 3.295 -4.816 9.994 1.00 0.00 C ATOM 80 C6 DT A 3 3.392 -3.741 7.753 1.00 0.00 C ATOM 0 H5' DT A 3 0.540 -1.793 7.494 1.00 0.00 H new ATOM 0 H5'' DT A 3 -0.849 -2.014 6.449 1.00 0.00 H new ATOM 0 H4' DT A 3 0.490 -1.114 4.931 1.00 0.00 H new ATOM 0 H3' DT A 3 0.354 -3.686 4.267 1.00 0.00 H new ATOM 0 H2' DT A 3 2.296 -4.581 5.423 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.069 -4.116 3.920 1.00 0.00 H new ATOM 0 H1' DT A 3 4.043 -2.285 4.821 1.00 0.00 H new ATOM 0 H3 DT A 3 6.986 -2.763 8.115 1.00 0.00 H new ATOM 0 H71 DT A 3 2.237 -4.556 9.958 1.00 0.00 H new ATOM 0 H72 DT A 3 3.411 -5.889 9.840 1.00 0.00 H new ATOM 0 H73 DT A 3 3.703 -4.543 10.967 1.00 0.00 H new ATOM 0 H6 DT A 3 2.362 -4.040 7.631 1.00 0.00 H new ATOM 93 P DG A 4 0.095 -2.185 2.068 1.00 0.00 P ATOM 94 OP1 DG A 4 -0.983 -3.148 2.387 1.00 0.00 O ATOM 95 OP2 DG A 4 0.599 -2.092 0.680 1.00 0.00 O ATOM 96 O5' DG A 4 -0.387 -0.720 2.539 1.00 0.00 O ATOM 97 C5' DG A 4 0.208 0.460 2.032 1.00 0.00 C ATOM 98 C4' DG A 4 -0.005 1.609 3.022 1.00 0.00 C ATOM 99 O4' DG A 4 0.715 1.314 4.210 1.00 0.00 O ATOM 100 C3' DG A 4 0.543 2.937 2.480 1.00 0.00 C ATOM 101 O3' DG A 4 -0.293 4.002 2.920 1.00 0.00 O ATOM 102 C2' DG A 4 1.921 2.986 3.138 1.00 0.00 C ATOM 103 C1' DG A 4 1.591 2.384 4.501 1.00 0.00 C ATOM 104 N9 DG A 4 2.758 1.921 5.296 1.00 0.00 N ATOM 105 C8 DG A 4 4.092 1.849 4.973 1.00 0.00 C ATOM 106 N7 DG A 4 4.844 1.334 5.908 1.00 0.00 N ATOM 107 C5 DG A 4 3.952 1.025 6.930 1.00 0.00 C ATOM 108 C6 DG A 4 4.168 0.407 8.209 1.00 0.00 C ATOM 109 O6 DG A 4 5.218 0.019 8.716 1.00 0.00 O ATOM 110 N1 DG A 4 2.987 0.248 8.927 1.00 0.00 N ATOM 111 C2 DG A 4 1.747 0.648 8.475 1.00 0.00 C ATOM 112 N2 DG A 4 0.712 0.391 9.266 1.00 0.00 N ATOM 113 N3 DG A 4 1.537 1.243 7.293 1.00 0.00 N ATOM 114 C4 DG A 4 2.677 1.397 6.564 1.00 0.00 C ATOM 0 H5' DG A 4 -0.229 0.713 1.066 1.00 0.00 H new ATOM 0 H5'' DG A 4 1.274 0.301 1.868 1.00 0.00 H new ATOM 0 H4' DG A 4 -1.076 1.708 3.196 1.00 0.00 H new ATOM 0 H3' DG A 4 0.585 3.021 1.394 1.00 0.00 H new ATOM 0 H2' DG A 4 2.663 2.401 2.594 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.309 4.002 3.215 1.00 0.00 H new ATOM 0 H1' DG A 4 1.157 3.151 5.143 1.00 0.00 H new ATOM 0 H8 DG A 4 4.485 2.189 4.026 1.00 0.00 H new ATOM 0 H1 DG A 4 3.042 -0.192 9.846 1.00 0.00 H new ATOM 0 H21 DG A 4 -0.228 0.665 8.981 1.00 0.00 H new ATOM 0 H22 DG A 4 0.857 -0.081 10.159 1.00 0.00 H new ATOM 126 P DC A 5 -0.461 5.388 2.093 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.872 5.485 1.660 1.00 0.00 O ATOM 128 OP2 DC A 5 0.627 5.496 1.095 1.00 0.00 O ATOM 129 O5' DC A 5 -0.232 6.532 3.215 1.00 0.00 O ATOM 130 C5' DC A 5 0.971 6.607 3.952 1.00 0.00 C ATOM 131 C4' DC A 5 0.731 5.950 5.315 1.00 0.00 C ATOM 132 O4' DC A 5 1.880 5.294 5.792 1.00 0.00 O ATOM 133 C3' DC A 5 0.296 6.919 6.419 1.00 0.00 C ATOM 134 O3' DC A 5 -1.097 6.796 6.651 1.00 0.00 O ATOM 135 C2' DC A 5 1.136 6.456 7.615 1.00 0.00 C ATOM 136 C1' DC A 5 1.642 5.089 7.165 1.00 0.00 C ATOM 137 N1 DC A 5 2.853 4.651 7.906 1.00 0.00 N ATOM 138 C2 DC A 5 2.686 3.986 9.129 1.00 0.00 C ATOM 139 O2 DC A 5 1.574 3.842 9.636 1.00 0.00 O ATOM 140 N3 DC A 5 3.790 3.486 9.754 1.00 0.00 N ATOM 141 C4 DC A 5 5.012 3.627 9.223 1.00 0.00 C ATOM 142 N4 DC A 5 6.053 3.098 9.865 1.00 0.00 N ATOM 143 C5 DC A 5 5.207 4.331 7.987 1.00 0.00 C ATOM 144 C6 DC A 5 4.108 4.817 7.367 1.00 0.00 C ATOM 0 H5' DC A 5 1.277 7.646 4.078 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.776 6.100 3.421 1.00 0.00 H new ATOM 0 H4' DC A 5 -0.080 5.250 5.115 1.00 0.00 H new ATOM 0 H3' DC A 5 0.452 7.973 6.189 1.00 0.00 H new ATOM 0 H2' DC A 5 1.957 7.143 7.823 1.00 0.00 H new ATOM 0 H2'' DC A 5 0.540 6.387 8.525 1.00 0.00 H new ATOM 0 H1' DC A 5 0.937 4.281 7.361 1.00 0.00 H new ATOM 0 H41 DC A 5 6.992 3.193 9.479 1.00 0.00 H new ATOM 0 H42 DC A 5 5.910 2.598 10.742 1.00 0.00 H new ATOM 0 H5 DC A 5 6.193 4.467 7.569 1.00 0.00 H new ATOM 0 H6 DC A 5 4.217 5.345 6.431 1.00 0.00 H new ATOM 156 P DA A 6 -1.957 7.956 7.381 1.00 0.00 P ATOM 157 OP1 DA A 6 -3.198 8.142 6.596 1.00 0.00 O ATOM 158 OP2 DA A 6 -1.077 9.116 7.650 1.00 0.00 O ATOM 159 O5' DA A 6 -2.326 7.306 8.810 1.00 0.00 O ATOM 160 C5' DA A 6 -3.341 6.332 8.949 1.00 0.00 C ATOM 161 C4' DA A 6 -3.539 5.999 10.433 1.00 0.00 C ATOM 162 O4' DA A 6 -4.553 5.011 10.556 1.00 0.00 O ATOM 163 C3' DA A 6 -2.281 5.407 11.077 1.00 0.00 C ATOM 164 O3' DA A 6 -2.311 5.629 12.478 1.00 0.00 O ATOM 165 C2' DA A 6 -2.442 3.928 10.775 1.00 0.00 C ATOM 166 C1' DA A 6 -3.960 3.768 10.896 1.00 0.00 C ATOM 167 N9 DA A 6 -4.510 2.677 10.057 1.00 0.00 N ATOM 168 C8 DA A 6 -4.332 2.450 8.713 1.00 0.00 C ATOM 169 N7 DA A 6 -4.841 1.327 8.287 1.00 0.00 N ATOM 170 C5 DA A 6 -5.378 0.750 9.434 1.00 0.00 C ATOM 171 C6 DA A 6 -6.006 -0.492 9.694 1.00 0.00 C ATOM 172 N6 DA A 6 -6.211 -1.425 8.760 1.00 0.00 N ATOM 173 N1 DA A 6 -6.403 -0.768 10.953 1.00 0.00 N ATOM 174 C2 DA A 6 -6.185 0.137 11.906 1.00 0.00 C ATOM 175 N3 DA A 6 -5.595 1.327 11.800 1.00 0.00 N ATOM 176 C4 DA A 6 -5.204 1.581 10.517 1.00 0.00 C ATOM 0 H5' DA A 6 -3.072 5.431 8.397 1.00 0.00 H new ATOM 0 H5'' DA A 6 -4.273 6.701 8.522 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.795 6.934 10.931 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.346 5.833 10.714 1.00 0.00 H new ATOM 0 H2' DA A 6 -2.078 3.668 9.781 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.903 3.301 11.486 1.00 0.00 H new ATOM 0 H1' DA A 6 -4.195 3.484 11.922 1.00 0.00 H new ATOM 0 H8 DA A 6 -3.815 3.142 8.065 1.00 0.00 H new ATOM 0 H61 DA A 6 -6.669 -2.302 9.007 1.00 0.00 H new ATOM 0 H62 DA A 6 -5.909 -1.260 7.800 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.532 -0.129 12.894 1.00 0.00 H new ATOM 188 P DT A 7 -1.255 6.595 13.226 1.00 0.00 P ATOM 189 OP1 DT A 7 -1.836 6.981 14.532 1.00 0.00 O ATOM 190 OP2 DT A 7 -0.820 7.650 12.282 1.00 0.00 O ATOM 191 O5' DT A 7 -0.004 5.615 13.496 1.00 0.00 O ATOM 192 C5' DT A 7 -0.059 4.556 14.441 1.00 0.00 C ATOM 193 C4' DT A 7 1.266 4.467 15.205 1.00 0.00 C ATOM 194 O4' DT A 7 2.316 4.268 14.277 1.00 0.00 O ATOM 195 C3' DT A 7 1.574 5.753 15.990 1.00 0.00 C ATOM 196 O3' DT A 7 1.773 5.524 17.376 1.00 0.00 O ATOM 197 C2' DT A 7 2.854 6.294 15.365 1.00 0.00 C ATOM 198 C1' DT A 7 3.414 5.083 14.616 1.00 0.00 C ATOM 199 N1 DT A 7 4.164 5.454 13.382 1.00 0.00 N ATOM 200 C2 DT A 7 5.525 5.136 13.298 1.00 0.00 C ATOM 201 O2 DT A 7 6.129 4.510 14.167 1.00 0.00 O ATOM 202 N3 DT A 7 6.197 5.584 12.166 1.00 0.00 N ATOM 203 C4 DT A 7 5.647 6.344 11.139 1.00 0.00 C ATOM 204 O4 DT A 7 6.351 6.697 10.196 1.00 0.00 O ATOM 205 C5 DT A 7 4.232 6.644 11.307 1.00 0.00 C ATOM 206 C7 DT A 7 3.514 7.473 10.260 1.00 0.00 C ATOM 207 C6 DT A 7 3.549 6.188 12.389 1.00 0.00 C ATOM 0 H5' DT A 7 -0.259 3.613 13.932 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.880 4.722 15.138 1.00 0.00 H new ATOM 0 H4' DT A 7 1.181 3.641 15.911 1.00 0.00 H new ATOM 0 H3' DT A 7 0.734 6.445 15.929 1.00 0.00 H new ATOM 0 H2' DT A 7 2.653 7.127 14.691 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.550 6.657 16.122 1.00 0.00 H new ATOM 0 H1' DT A 7 4.128 4.569 15.260 1.00 0.00 H new ATOM 0 H3 DT A 7 7.182 5.333 12.081 1.00 0.00 H new ATOM 0 H71 DT A 7 2.465 7.178 10.219 1.00 0.00 H new ATOM 0 H72 DT A 7 3.584 8.529 10.521 1.00 0.00 H new ATOM 0 H73 DT A 7 3.975 7.308 9.286 1.00 0.00 H new ATOM 0 H6 DT A 7 2.495 6.406 12.474 1.00 0.00 H new ATOM 220 P DG A 8 0.541 5.274 18.399 1.00 0.00 P ATOM 221 OP1 DG A 8 -0.661 5.961 17.875 1.00 0.00 O ATOM 222 OP2 DG A 8 1.028 5.595 19.759 1.00 0.00 O ATOM 223 O5' DG A 8 0.284 3.685 18.314 1.00 0.00 O ATOM 224 C5' DG A 8 1.204 2.759 18.860 1.00 0.00 C ATOM 225 C4' DG A 8 0.784 1.334 18.493 1.00 0.00 C ATOM 226 O4' DG A 8 0.673 1.179 17.088 1.00 0.00 O ATOM 227 C3' DG A 8 1.784 0.290 18.994 1.00 0.00 C ATOM 228 O3' DG A 8 1.428 -0.202 20.270 1.00 0.00 O ATOM 229 C2' DG A 8 1.659 -0.794 17.931 1.00 0.00 C ATOM 230 C1' DG A 8 1.364 0.016 16.669 1.00 0.00 C ATOM 231 N9 DG A 8 2.575 0.424 15.913 1.00 0.00 N ATOM 232 C8 DG A 8 3.903 0.395 16.268 1.00 0.00 C ATOM 233 N7 DG A 8 4.715 0.822 15.342 1.00 0.00 N ATOM 234 C5 DG A 8 3.872 1.178 14.295 1.00 0.00 C ATOM 235 C6 DG A 8 4.176 1.715 13.003 1.00 0.00 C ATOM 236 O6 DG A 8 5.278 1.961 12.522 1.00 0.00 O ATOM 237 N1 DG A 8 3.032 1.966 12.247 1.00 0.00 N ATOM 238 C2 DG A 8 1.744 1.719 12.682 1.00 0.00 C ATOM 239 N2 DG A 8 0.751 2.076 11.869 1.00 0.00 N ATOM 240 N3 DG A 8 1.455 1.183 13.879 1.00 0.00 N ATOM 241 C4 DG A 8 2.560 0.941 14.640 1.00 0.00 C ATOM 0 H5' DG A 8 1.244 2.868 19.944 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.206 2.962 18.482 1.00 0.00 H new ATOM 0 H4' DG A 8 -0.181 1.176 18.974 1.00 0.00 H new ATOM 0 H3' DG A 8 2.795 0.677 19.119 1.00 0.00 H new ATOM 0 H2' DG A 8 2.575 -1.376 17.835 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.857 -1.496 18.159 1.00 0.00 H new ATOM 0 HO3' DG A 8 2.086 -0.868 20.559 1.00 0.00 H new ATOM 0 H1' DG A 8 0.787 -0.612 15.990 1.00 0.00 H new ATOM 0 H8 DG A 8 4.244 0.048 17.232 1.00 0.00 H new ATOM 0 H1 DG A 8 3.154 2.357 11.313 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.217 1.914 12.145 1.00 0.00 H new ATOM 0 H22 DG A 8 0.959 2.511 10.970 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 -2.408 -4.295 4.071 1.00 0.00 NA HETATM 256 NA NA A 102 -2.783 6.022 16.606 1.00 0.00 NA HETATM 257 NA NA A 103 -4.841 -7.982 14.330 1.00 0.00 NA HETATM 258 NA NA A 104 3.250 6.647 19.334 1.00 0.00 NA HETATM 259 NA NA A 105 -2.572 6.934 4.316 1.00 0.00 NA HETATM 260 NA NA A 106 2.974 -2.837 0.877 1.00 0.00 NA HETATM 261 NA NA A 107 -0.646 8.919 10.162 1.00 0.00 NA