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= -0.291 (180deg=-0.347) 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 -0.923 -5.407 17.587 1.00 0.00 O ATOM 2 C5' DC A 1 0.001 -4.446 17.117 1.00 0.00 C ATOM 3 C4' DC A 1 -0.484 -3.820 15.805 1.00 0.00 C ATOM 4 O4' DC A 1 0.436 -2.824 15.391 1.00 0.00 O ATOM 5 C3' DC A 1 -0.619 -4.838 14.658 1.00 0.00 C ATOM 6 O3' DC A 1 -1.926 -4.748 14.105 1.00 0.00 O ATOM 7 C2' DC A 1 0.457 -4.393 13.671 1.00 0.00 C ATOM 8 C1' DC A 1 0.559 -2.906 13.988 1.00 0.00 C ATOM 9 N1 DC A 1 1.828 -2.302 13.496 1.00 0.00 N ATOM 10 C2 DC A 1 1.793 -1.520 12.335 1.00 0.00 C ATOM 11 O2 DC A 1 0.729 -1.229 11.792 1.00 0.00 O ATOM 12 N3 DC A 1 2.969 -1.081 11.801 1.00 0.00 N ATOM 13 C4 DC A 1 4.144 -1.375 12.372 1.00 0.00 C ATOM 14 N4 DC A 1 5.264 -0.935 11.788 1.00 0.00 N ATOM 15 C5 DC A 1 4.206 -2.156 13.579 1.00 0.00 C ATOM 16 C6 DC A 1 3.032 -2.602 14.093 1.00 0.00 C ATOM 0 H5' DC A 1 0.973 -4.914 16.964 1.00 0.00 H new ATOM 0 H5'' DC A 1 0.137 -3.668 17.868 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.472 -3.407 16.009 1.00 0.00 H new ATOM 0 H3' DC A 1 -0.489 -5.879 14.955 1.00 0.00 H new ATOM 0 H2' DC A 1 1.402 -4.913 13.831 1.00 0.00 H new ATOM 0 H2'' DC A 1 0.165 -4.573 12.636 1.00 0.00 H new ATOM 0 HO5' DC A 1 -0.594 -5.796 18.424 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.219 -2.336 13.480 1.00 0.00 H new ATOM 0 H41 DC A 1 6.172 -1.145 12.203 1.00 0.00 H new ATOM 0 H42 DC A 1 5.210 -0.389 10.928 1.00 0.00 H new ATOM 0 H5 DC A 1 5.149 -2.378 14.057 1.00 0.00 H new ATOM 0 H6 DC A 1 3.042 -3.205 14.989 1.00 0.00 H new ATOM 29 P DT A 2 -2.508 -5.819 13.038 1.00 0.00 P ATOM 30 OP1 DT A 2 -3.919 -6.082 13.397 1.00 0.00 O ATOM 31 OP2 DT A 2 -1.573 -6.961 12.925 1.00 0.00 O ATOM 32 O5' DT A 2 -2.482 -5.007 11.647 1.00 0.00 O ATOM 33 C5' DT A 2 -3.253 -5.415 10.528 1.00 0.00 C ATOM 34 C4' DT A 2 -3.064 -4.449 9.350 1.00 0.00 C ATOM 35 O4' DT A 2 -3.521 -3.162 9.744 1.00 0.00 O ATOM 36 C3' DT A 2 -1.589 -4.332 8.925 1.00 0.00 C ATOM 37 O3' DT A 2 -1.395 -4.456 7.511 1.00 0.00 O ATOM 38 C2' DT A 2 -1.166 -3.023 9.579 1.00 0.00 C ATOM 39 C1' DT A 2 -2.465 -2.229 9.622 1.00 0.00 C ATOM 40 N1 DT A 2 -2.435 -1.224 10.713 1.00 0.00 N ATOM 41 C2 DT A 2 -2.017 0.068 10.385 1.00 0.00 C ATOM 42 O2 DT A 2 -1.829 0.451 9.230 1.00 0.00 O ATOM 43 N3 DT A 2 -1.808 0.931 11.449 1.00 0.00 N ATOM 44 C4 DT A 2 -2.005 0.640 12.794 1.00 0.00 C ATOM 45 O4 DT A 2 -1.796 1.505 13.641 1.00 0.00 O ATOM 46 C5 DT A 2 -2.465 -0.717 13.050 1.00 0.00 C ATOM 47 C7 DT A 2 -2.736 -1.155 14.477 1.00 0.00 C ATOM 48 C6 DT A 2 -2.654 -1.590 12.026 1.00 0.00 C ATOM 0 H5' DT A 2 -4.307 -5.457 10.803 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.962 -6.422 10.228 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.630 -4.837 8.503 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.949 -5.150 9.256 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.757 -3.183 10.577 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.398 -2.511 8.999 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.610 -1.650 8.710 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.478 1.869 11.224 1.00 0.00 H new ATOM 0 H71 DT A 2 -2.081 -0.609 15.156 1.00 0.00 H new ATOM 0 H72 DT A 2 -3.775 -0.947 14.730 1.00 0.00 H new ATOM 0 H73 DT A 2 -2.547 -2.224 14.572 1.00 0.00 H new ATOM 0 H6 DT A 2 -2.984 -2.595 12.245 1.00 0.00 H new ATOM 61 P DT A 3 -1.822 -3.401 6.337 1.00 0.00 P ATOM 62 OP1 DT A 3 -3.136 -2.806 6.661 1.00 0.00 O ATOM 63 OP2 DT A 3 -1.681 -4.115 5.052 1.00 0.00 O ATOM 64 O5' DT A 3 -0.724 -2.201 6.349 1.00 0.00 O ATOM 65 C5' DT A 3 0.668 -2.429 6.506 1.00 0.00 C ATOM 66 C4' DT A 3 1.494 -2.313 5.220 1.00 0.00 C ATOM 67 O4' DT A 3 2.845 -2.117 5.587 1.00 0.00 O ATOM 68 C3' DT A 3 1.519 -3.536 4.302 1.00 0.00 C ATOM 69 O3' DT A 3 1.833 -3.166 2.966 1.00 0.00 O ATOM 70 C2' DT A 3 2.617 -4.398 4.919 1.00 0.00 C ATOM 71 C1' DT A 3 3.528 -3.363 5.606 1.00 0.00 C ATOM 72 N1 DT A 3 3.984 -3.658 7.006 1.00 0.00 N ATOM 73 C2 DT A 3 5.255 -3.196 7.375 1.00 0.00 C ATOM 74 O2 DT A 3 6.034 -2.661 6.588 1.00 0.00 O ATOM 75 N3 DT A 3 5.617 -3.358 8.708 1.00 0.00 N ATOM 76 C4 DT A 3 4.833 -3.927 9.704 1.00 0.00 C ATOM 77 O4 DT A 3 5.262 -4.005 10.853 1.00 0.00 O ATOM 78 C5 DT A 3 3.536 -4.398 9.245 1.00 0.00 C ATOM 79 C7 DT A 3 2.570 -5.029 10.235 1.00 0.00 C ATOM 80 C6 DT A 3 3.171 -4.270 7.944 1.00 0.00 C ATOM 0 H5' DT A 3 0.813 -3.425 6.924 1.00 0.00 H new ATOM 0 H5'' DT A 3 1.057 -1.718 7.235 1.00 0.00 H new ATOM 0 H4' DT A 3 1.017 -1.501 4.671 1.00 0.00 H new ATOM 0 H3' DT A 3 0.560 -4.050 4.235 1.00 0.00 H new ATOM 0 H2' DT A 3 2.213 -5.116 5.633 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.155 -4.969 4.162 1.00 0.00 H new ATOM 0 H1' DT A 3 4.456 -3.373 5.035 1.00 0.00 H new ATOM 0 H3 DT A 3 6.543 -3.029 8.979 1.00 0.00 H new ATOM 0 H71 DT A 3 1.545 -4.839 9.915 1.00 0.00 H new ATOM 0 H72 DT A 3 2.743 -6.104 10.278 1.00 0.00 H new ATOM 0 H73 DT A 3 2.728 -4.597 11.223 1.00 0.00 H new ATOM 0 H6 DT A 3 2.214 -4.659 7.630 1.00 0.00 H new ATOM 93 P DG A 4 0.683 -2.755 1.897 1.00 0.00 P ATOM 94 OP1 DG A 4 -0.434 -3.717 2.018 1.00 0.00 O ATOM 95 OP2 DG A 4 1.350 -2.583 0.587 1.00 0.00 O ATOM 96 O5' DG A 4 0.157 -1.309 2.398 1.00 0.00 O ATOM 97 C5' DG A 4 0.779 -0.107 1.980 1.00 0.00 C ATOM 98 C4' DG A 4 0.415 1.052 2.921 1.00 0.00 C ATOM 99 O4' DG A 4 1.009 0.857 4.197 1.00 0.00 O ATOM 100 C3' DG A 4 0.942 2.389 2.388 1.00 0.00 C ATOM 101 O3' DG A 4 0.000 3.405 2.702 1.00 0.00 O ATOM 102 C2' DG A 4 2.252 2.551 3.152 1.00 0.00 C ATOM 103 C1' DG A 4 1.883 1.932 4.499 1.00 0.00 C ATOM 104 N9 DG A 4 3.036 1.468 5.316 1.00 0.00 N ATOM 105 C8 DG A 4 4.365 1.321 4.993 1.00 0.00 C ATOM 106 N7 DG A 4 5.105 0.847 5.957 1.00 0.00 N ATOM 107 C5 DG A 4 4.216 0.673 7.012 1.00 0.00 C ATOM 108 C6 DG A 4 4.440 0.199 8.348 1.00 0.00 C ATOM 109 O6 DG A 4 5.483 -0.176 8.877 1.00 0.00 O ATOM 110 N1 DG A 4 3.276 0.201 9.107 1.00 0.00 N ATOM 111 C2 DG A 4 2.049 0.634 8.650 1.00 0.00 C ATOM 112 N2 DG A 4 1.052 0.602 9.526 1.00 0.00 N ATOM 113 N3 DG A 4 1.827 1.075 7.402 1.00 0.00 N ATOM 114 C4 DG A 4 2.950 1.068 6.630 1.00 0.00 C ATOM 0 H5' DG A 4 0.469 0.133 0.963 1.00 0.00 H new ATOM 0 H5'' DG A 4 1.861 -0.240 1.961 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.673 1.073 2.989 1.00 0.00 H new ATOM 0 H3' DG A 4 1.091 2.440 1.309 1.00 0.00 H new ATOM 0 H2' DG A 4 3.078 2.028 2.670 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.548 3.596 3.246 1.00 0.00 H new ATOM 0 H1' DG A 4 1.423 2.696 5.126 1.00 0.00 H new ATOM 0 H8 DG A 4 4.763 1.577 4.022 1.00 0.00 H new ATOM 0 H1 DG A 4 3.333 -0.141 10.066 1.00 0.00 H new ATOM 0 H21 DG A 4 0.120 0.909 9.249 1.00 0.00 H new ATOM 0 H22 DG A 4 1.218 0.270 10.476 1.00 0.00 H new ATOM 126 P DC A 5 -0.070 4.808 1.897 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.425 5.370 2.095 1.00 0.00 O ATOM 128 OP2 DC A 5 0.410 4.590 0.513 1.00 0.00 O ATOM 129 O5' DC A 5 1.003 5.750 2.660 1.00 0.00 O ATOM 130 C5' DC A 5 0.632 6.660 3.685 1.00 0.00 C ATOM 131 C4' DC A 5 0.211 5.943 4.974 1.00 0.00 C ATOM 132 O4' DC A 5 1.248 5.110 5.455 1.00 0.00 O ATOM 133 C3' DC A 5 -0.111 6.941 6.096 1.00 0.00 C ATOM 134 O3' DC A 5 -1.489 6.858 6.431 1.00 0.00 O ATOM 135 C2' DC A 5 0.789 6.482 7.245 1.00 0.00 C ATOM 136 C1' DC A 5 1.112 5.042 6.857 1.00 0.00 C ATOM 137 N1 DC A 5 2.334 4.560 7.561 1.00 0.00 N ATOM 138 C2 DC A 5 2.204 4.158 8.897 1.00 0.00 C ATOM 139 O2 DC A 5 1.117 4.195 9.470 1.00 0.00 O ATOM 140 N3 DC A 5 3.311 3.715 9.560 1.00 0.00 N ATOM 141 C4 DC A 5 4.505 3.655 8.955 1.00 0.00 C ATOM 142 N4 DC A 5 5.550 3.203 9.651 1.00 0.00 N ATOM 143 C5 DC A 5 4.662 4.050 7.582 1.00 0.00 C ATOM 144 C6 DC A 5 3.558 4.490 6.930 1.00 0.00 C ATOM 0 H5' DC A 5 -0.190 7.284 3.334 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.469 7.325 3.898 1.00 0.00 H new ATOM 0 H4' DC A 5 -0.673 5.358 4.719 1.00 0.00 H new ATOM 0 H3' DC A 5 0.067 7.983 5.831 1.00 0.00 H new ATOM 0 H2' DC A 5 1.689 7.092 7.324 1.00 0.00 H new ATOM 0 H2'' DC A 5 0.280 6.539 8.207 1.00 0.00 H new ATOM 0 H1' DC A 5 0.350 4.319 7.146 1.00 0.00 H new ATOM 0 H41 DC A 5 6.469 3.148 9.213 1.00 0.00 H new ATOM 0 H42 DC A 5 5.429 2.913 10.621 1.00 0.00 H new ATOM 0 H5 DC A 5 5.622 3.998 7.089 1.00 0.00 H new ATOM 0 H6 DC A 5 3.639 4.792 5.896 1.00 0.00 H new ATOM 156 P DA A 6 -2.229 7.973 7.347 1.00 0.00 P ATOM 157 OP1 DA A 6 -3.576 8.212 6.786 1.00 0.00 O ATOM 158 OP2 DA A 6 -1.310 9.116 7.550 1.00 0.00 O ATOM 159 O5' DA A 6 -2.387 7.244 8.780 1.00 0.00 O ATOM 160 C5' DA A 6 -3.358 6.240 9.012 1.00 0.00 C ATOM 161 C4' DA A 6 -3.570 6.069 10.521 1.00 0.00 C ATOM 162 O4' DA A 6 -4.566 5.081 10.743 1.00 0.00 O ATOM 163 C3' DA A 6 -2.304 5.593 11.240 1.00 0.00 C ATOM 164 O3' DA A 6 -2.337 6.019 12.593 1.00 0.00 O ATOM 165 C2' DA A 6 -2.450 4.085 11.160 1.00 0.00 C ATOM 166 C1' DA A 6 -3.965 3.917 11.289 1.00 0.00 C ATOM 167 N9 DA A 6 -4.487 2.699 10.625 1.00 0.00 N ATOM 168 C8 DA A 6 -4.452 2.360 9.294 1.00 0.00 C ATOM 169 N7 DA A 6 -4.953 1.185 9.025 1.00 0.00 N ATOM 170 C5 DA A 6 -5.329 0.691 10.272 1.00 0.00 C ATOM 171 C6 DA A 6 -5.900 -0.532 10.703 1.00 0.00 C ATOM 172 N6 DA A 6 -6.223 -1.529 9.873 1.00 0.00 N ATOM 173 N1 DA A 6 -6.123 -0.713 12.020 1.00 0.00 N ATOM 174 C2 DA A 6 -5.805 0.266 12.866 1.00 0.00 C ATOM 175 N3 DA A 6 -5.270 1.456 12.592 1.00 0.00 N ATOM 176 C4 DA A 6 -5.051 1.613 11.256 1.00 0.00 C ATOM 0 H5' DA A 6 -3.034 5.297 8.571 1.00 0.00 H new ATOM 0 H5'' DA A 6 -4.298 6.511 8.531 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.857 7.045 10.912 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.373 5.970 10.816 1.00 0.00 H new ATOM 0 H2' DA A 6 -2.072 3.686 10.219 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.912 3.578 11.961 1.00 0.00 H new ATOM 0 H1' DA A 6 -4.212 3.793 12.343 1.00 0.00 H new ATOM 0 H8 DA A 6 -4.044 3.011 8.534 1.00 0.00 H new ATOM 0 H61 DA A 6 -6.632 -2.388 10.242 1.00 0.00 H new ATOM 0 H62 DA A 6 -6.061 -1.431 8.871 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.007 0.070 13.909 1.00 0.00 H new ATOM 188 P DT A 7 -1.164 6.917 13.252 1.00 0.00 P ATOM 189 OP1 DT A 7 -1.676 7.467 14.527 1.00 0.00 O ATOM 190 OP2 DT A 7 -0.640 7.840 12.221 1.00 0.00 O ATOM 191 O5' DT A 7 -0.012 5.839 13.592 1.00 0.00 O ATOM 192 C5' DT A 7 -0.168 4.847 14.596 1.00 0.00 C ATOM 193 C4' DT A 7 1.113 4.709 15.428 1.00 0.00 C ATOM 194 O4' DT A 7 2.208 4.444 14.572 1.00 0.00 O ATOM 195 C3' DT A 7 1.443 5.982 16.222 1.00 0.00 C ATOM 196 O3' DT A 7 1.671 5.716 17.598 1.00 0.00 O ATOM 197 C2' DT A 7 2.712 6.521 15.575 1.00 0.00 C ATOM 198 C1' DT A 7 3.295 5.280 14.898 1.00 0.00 C ATOM 199 N1 DT A 7 4.063 5.587 13.659 1.00 0.00 N ATOM 200 C2 DT A 7 5.425 5.268 13.612 1.00 0.00 C ATOM 201 O2 DT A 7 6.027 4.728 14.538 1.00 0.00 O ATOM 202 N3 DT A 7 6.097 5.598 12.440 1.00 0.00 N ATOM 203 C4 DT A 7 5.542 6.232 11.332 1.00 0.00 C ATOM 204 O4 DT A 7 6.245 6.477 10.354 1.00 0.00 O ATOM 205 C5 DT A 7 4.127 6.548 11.467 1.00 0.00 C ATOM 206 C7 DT A 7 3.400 7.251 10.334 1.00 0.00 C ATOM 207 C6 DT A 7 3.448 6.218 12.596 1.00 0.00 C ATOM 0 H5' DT A 7 -0.412 3.890 14.134 1.00 0.00 H new ATOM 0 H5'' DT A 7 -1.003 5.109 15.246 1.00 0.00 H new ATOM 0 H4' DT A 7 0.942 3.894 16.131 1.00 0.00 H new ATOM 0 H3' DT A 7 0.613 6.688 16.193 1.00 0.00 H new ATOM 0 H2' DT A 7 2.496 7.311 14.856 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.397 6.940 16.313 1.00 0.00 H new ATOM 0 H1' DT A 7 4.000 4.810 15.584 1.00 0.00 H new ATOM 0 H3 DT A 7 7.086 5.353 12.388 1.00 0.00 H new ATOM 0 H71 DT A 7 2.352 6.951 10.333 1.00 0.00 H new ATOM 0 H72 DT A 7 3.468 8.330 10.472 1.00 0.00 H new ATOM 0 H73 DT A 7 3.857 6.977 9.383 1.00 0.00 H new ATOM 0 H6 DT A 7 2.397 6.456 12.664 1.00 0.00 H new ATOM 220 P DG A 8 0.462 5.397 18.633 1.00 0.00 P ATOM 221 OP1 DG A 8 -0.751 6.110 18.173 1.00 0.00 O ATOM 222 OP2 DG A 8 0.964 5.627 20.006 1.00 0.00 O ATOM 223 O5' DG A 8 0.202 3.813 18.452 1.00 0.00 O ATOM 224 C5' DG A 8 1.136 2.852 18.908 1.00 0.00 C ATOM 225 C4' DG A 8 0.732 1.456 18.421 1.00 0.00 C ATOM 226 O4' DG A 8 0.678 1.391 17.004 1.00 0.00 O ATOM 227 C3' DG A 8 1.715 0.377 18.880 1.00 0.00 C ATOM 228 O3' DG A 8 1.354 -0.160 20.135 1.00 0.00 O ATOM 229 C2' DG A 8 1.567 -0.661 17.772 1.00 0.00 C ATOM 230 C1' DG A 8 1.315 0.212 16.540 1.00 0.00 C ATOM 231 N9 DG A 8 2.548 0.601 15.805 1.00 0.00 N ATOM 232 C8 DG A 8 3.874 0.504 16.156 1.00 0.00 C ATOM 233 N7 DG A 8 4.702 0.961 15.258 1.00 0.00 N ATOM 234 C5 DG A 8 3.874 1.415 14.237 1.00 0.00 C ATOM 235 C6 DG A 8 4.193 2.033 12.982 1.00 0.00 C ATOM 236 O6 DG A 8 5.298 2.284 12.508 1.00 0.00 O ATOM 237 N1 DG A 8 3.057 2.372 12.252 1.00 0.00 N ATOM 238 C2 DG A 8 1.763 2.141 12.679 1.00 0.00 C ATOM 239 N2 DG A 8 0.780 2.647 11.939 1.00 0.00 N ATOM 240 N3 DG A 8 1.459 1.523 13.828 1.00 0.00 N ATOM 241 C4 DG A 8 2.555 1.193 14.566 1.00 0.00 C ATOM 0 H5' DG A 8 1.183 2.867 19.997 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.133 3.099 18.542 1.00 0.00 H new ATOM 0 H4' DG A 8 -0.252 1.275 18.853 1.00 0.00 H new ATOM 0 H3' DG A 8 2.733 0.741 19.021 1.00 0.00 H new ATOM 0 H2' DG A 8 2.464 -1.270 17.662 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.739 -1.344 17.963 1.00 0.00 H new ATOM 0 HO3' DG A 8 2.003 -0.847 20.396 1.00 0.00 H new ATOM 0 H1' DG A 8 0.714 -0.365 15.836 1.00 0.00 H new ATOM 0 H8 DG A 8 4.202 0.085 17.096 1.00 0.00 H new ATOM 0 H1 DG A 8 3.188 2.819 11.345 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.192 2.503 12.214 1.00 0.00 H new ATOM 0 H22 DG A 8 0.998 3.179 11.097 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 -1.823 5.586 -0.439 1.00 0.00 NA HETATM 256 NA NA A 102 -0.789 8.969 10.021 1.00 0.00 NA HETATM 257 NA NA A 103 3.697 -3.330 0.988 1.00 0.00 NA HETATM 258 NA NA A 104 -0.769 0.360 6.726 1.00 0.00 NA HETATM 259 NA NA A 105 -2.571 6.997 16.781 1.00 0.00 NA HETATM 260 NA NA A 106 -2.737 -3.518 2.905 1.00 0.00 NA HETATM 261 NA NA A 107 -3.428 -8.600 13.702 1.00 0.00 NA