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= -0.0273 (180deg=-0.116) 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 -0.349 -5.906 17.272 1.00 0.00 O ATOM 2 C5' DC A 1 0.523 -4.922 16.753 1.00 0.00 C ATOM 3 C4' DC A 1 -0.188 -4.062 15.702 1.00 0.00 C ATOM 4 O4' DC A 1 0.694 -3.035 15.277 1.00 0.00 O ATOM 5 C3' DC A 1 -0.611 -4.854 14.455 1.00 0.00 C ATOM 6 O3' DC A 1 -1.927 -4.448 14.104 1.00 0.00 O ATOM 7 C2' DC A 1 0.419 -4.416 13.419 1.00 0.00 C ATOM 8 C1' DC A 1 0.673 -2.979 13.864 1.00 0.00 C ATOM 9 N1 DC A 1 1.929 -2.407 13.296 1.00 0.00 N ATOM 10 C2 DC A 1 1.836 -1.594 12.160 1.00 0.00 C ATOM 11 O2 DC A 1 0.749 -1.354 11.639 1.00 0.00 O ATOM 12 N3 DC A 1 2.979 -1.066 11.631 1.00 0.00 N ATOM 13 C4 DC A 1 4.176 -1.312 12.180 1.00 0.00 C ATOM 14 N4 DC A 1 5.261 -0.763 11.623 1.00 0.00 N ATOM 15 C5 DC A 1 4.300 -2.159 13.336 1.00 0.00 C ATOM 16 C6 DC A 1 3.158 -2.685 13.851 1.00 0.00 C ATOM 0 H5' DC A 1 1.395 -5.401 16.308 1.00 0.00 H new ATOM 0 H5'' DC A 1 0.886 -4.288 17.562 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.088 -3.670 16.175 1.00 0.00 H new ATOM 0 H3' DC A 1 -0.636 -5.938 14.569 1.00 0.00 H new ATOM 0 H2' DC A 1 1.323 -5.025 13.451 1.00 0.00 H new ATOM 0 H2'' DC A 1 0.032 -4.472 12.401 1.00 0.00 H new ATOM 0 HO5' DC A 1 0.125 -6.444 17.939 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.102 -2.307 13.497 1.00 0.00 H new ATOM 0 H41 DC A 1 6.183 -0.936 12.024 1.00 0.00 H new ATOM 0 H42 DC A 1 5.166 -0.171 10.798 1.00 0.00 H new ATOM 0 H5 DC A 1 5.263 -2.369 13.777 1.00 0.00 H new ATOM 0 H6 DC A 1 3.215 -3.334 14.712 1.00 0.00 H new ATOM 29 P DT A 2 -2.953 -5.379 13.270 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.321 -4.914 13.587 1.00 0.00 O ATOM 31 OP2 DT A 2 -2.616 -6.804 13.491 1.00 0.00 O ATOM 32 O5' DT A 2 -2.643 -5.005 11.736 1.00 0.00 O ATOM 33 C5' DT A 2 -3.503 -5.401 10.681 1.00 0.00 C ATOM 34 C4' DT A 2 -3.241 -4.590 9.402 1.00 0.00 C ATOM 35 O4' DT A 2 -3.587 -3.229 9.632 1.00 0.00 O ATOM 36 C3' DT A 2 -1.769 -4.626 8.956 1.00 0.00 C ATOM 37 O3' DT A 2 -1.551 -4.776 7.547 1.00 0.00 O ATOM 38 C2' DT A 2 -1.228 -3.328 9.540 1.00 0.00 C ATOM 39 C1' DT A 2 -2.444 -2.411 9.444 1.00 0.00 C ATOM 40 N1 DT A 2 -2.365 -1.311 10.437 1.00 0.00 N ATOM 41 C2 DT A 2 -1.915 -0.059 10.005 1.00 0.00 C ATOM 42 O2 DT A 2 -1.710 0.221 8.822 1.00 0.00 O ATOM 43 N3 DT A 2 -1.697 0.890 10.995 1.00 0.00 N ATOM 44 C4 DT A 2 -1.901 0.703 12.358 1.00 0.00 C ATOM 45 O4 DT A 2 -1.683 1.622 13.140 1.00 0.00 O ATOM 46 C5 DT A 2 -2.379 -0.619 12.725 1.00 0.00 C ATOM 47 C7 DT A 2 -2.648 -0.942 14.183 1.00 0.00 C ATOM 48 C6 DT A 2 -2.589 -1.563 11.773 1.00 0.00 C ATOM 0 H5' DT A 2 -4.541 -5.271 10.989 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.362 -6.462 10.475 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.847 -5.042 8.617 1.00 0.00 H new ATOM 0 H3' DT A 2 -1.250 -5.516 9.313 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.890 -3.452 10.569 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.381 -2.945 8.970 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.494 -1.920 8.472 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.358 1.804 10.696 1.00 0.00 H new ATOM 0 H71 DT A 2 -1.980 -0.356 14.815 1.00 0.00 H new ATOM 0 H72 DT A 2 -3.683 -0.699 14.425 1.00 0.00 H new ATOM 0 H73 DT A 2 -2.474 -2.004 14.358 1.00 0.00 H new ATOM 0 H6 DT A 2 -2.942 -2.539 12.071 1.00 0.00 H new ATOM 61 P DT A 3 -2.210 -3.915 6.314 1.00 0.00 P ATOM 62 OP1 DT A 3 -3.618 -3.588 6.622 1.00 0.00 O ATOM 63 OP2 DT A 3 -1.939 -4.682 5.080 1.00 0.00 O ATOM 64 O5' DT A 3 -1.427 -2.495 6.185 1.00 0.00 O ATOM 65 C5' DT A 3 -0.034 -2.343 6.392 1.00 0.00 C ATOM 66 C4' DT A 3 0.782 -2.065 5.127 1.00 0.00 C ATOM 67 O4' DT A 3 2.103 -1.739 5.524 1.00 0.00 O ATOM 68 C3' DT A 3 0.942 -3.248 4.165 1.00 0.00 C ATOM 69 O3' DT A 3 1.171 -2.842 2.823 1.00 0.00 O ATOM 70 C2' DT A 3 2.142 -3.996 4.734 1.00 0.00 C ATOM 71 C1' DT A 3 2.935 -2.888 5.447 1.00 0.00 C ATOM 72 N1 DT A 3 3.501 -3.212 6.798 1.00 0.00 N ATOM 73 C2 DT A 3 4.750 -2.663 7.122 1.00 0.00 C ATOM 74 O2 DT A 3 5.414 -1.988 6.338 1.00 0.00 O ATOM 75 N3 DT A 3 5.232 -2.911 8.402 1.00 0.00 N ATOM 76 C4 DT A 3 4.593 -3.656 9.386 1.00 0.00 C ATOM 77 O4 DT A 3 5.129 -3.818 10.479 1.00 0.00 O ATOM 78 C5 DT A 3 3.299 -4.189 8.983 1.00 0.00 C ATOM 79 C7 DT A 3 2.480 -4.999 9.973 1.00 0.00 C ATOM 80 C6 DT A 3 2.815 -3.968 7.734 1.00 0.00 C ATOM 0 H5' DT A 3 0.349 -3.249 6.861 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.126 -1.527 7.096 1.00 0.00 H new ATOM 0 H4' DT A 3 0.235 -1.279 4.606 1.00 0.00 H new ATOM 0 H3' DT A 3 0.038 -3.855 4.105 1.00 0.00 H new ATOM 0 H2' DT A 3 1.837 -4.782 5.425 1.00 0.00 H new ATOM 0 H2'' DT A 3 2.730 -4.472 3.949 1.00 0.00 H new ATOM 0 H1' DT A 3 3.828 -2.731 4.842 1.00 0.00 H new ATOM 0 H3 DT A 3 6.138 -2.509 8.641 1.00 0.00 H new ATOM 0 H71 DT A 3 1.419 -4.868 9.761 1.00 0.00 H new ATOM 0 H72 DT A 3 2.740 -6.054 9.883 1.00 0.00 H new ATOM 0 H73 DT A 3 2.692 -4.658 10.986 1.00 0.00 H new ATOM 0 H6 DT A 3 1.862 -4.397 7.461 1.00 0.00 H new ATOM 93 P DG A 4 -0.032 -2.320 1.867 1.00 0.00 P ATOM 94 OP1 DG A 4 -1.268 -3.058 2.211 1.00 0.00 O ATOM 95 OP2 DG A 4 0.466 -2.348 0.473 1.00 0.00 O ATOM 96 O5' DG A 4 -0.235 -0.782 2.305 1.00 0.00 O ATOM 97 C5' DG A 4 0.618 0.246 1.844 1.00 0.00 C ATOM 98 C4' DG A 4 0.596 1.408 2.839 1.00 0.00 C ATOM 99 O4' DG A 4 1.352 1.068 3.990 1.00 0.00 O ATOM 100 C3' DG A 4 1.222 2.675 2.239 1.00 0.00 C ATOM 101 O3' DG A 4 0.319 3.758 2.413 1.00 0.00 O ATOM 102 C2' DG A 4 2.499 2.841 3.055 1.00 0.00 C ATOM 103 C1' DG A 4 2.091 2.204 4.382 1.00 0.00 C ATOM 104 N9 DG A 4 3.239 1.849 5.256 1.00 0.00 N ATOM 105 C8 DG A 4 4.590 1.962 5.024 1.00 0.00 C ATOM 106 N7 DG A 4 5.341 1.567 6.013 1.00 0.00 N ATOM 107 C5 DG A 4 4.434 1.136 6.977 1.00 0.00 C ATOM 108 C6 DG A 4 4.657 0.580 8.281 1.00 0.00 C ATOM 109 O6 DG A 4 5.716 0.369 8.866 1.00 0.00 O ATOM 110 N1 DG A 4 3.468 0.244 8.919 1.00 0.00 N ATOM 111 C2 DG A 4 2.214 0.440 8.381 1.00 0.00 C ATOM 112 N2 DG A 4 1.190 0.051 9.131 1.00 0.00 N ATOM 113 N3 DG A 4 1.991 0.984 7.173 1.00 0.00 N ATOM 114 C4 DG A 4 3.143 1.302 6.515 1.00 0.00 C ATOM 0 H5' DG A 4 0.295 0.588 0.861 1.00 0.00 H new ATOM 0 H5'' DG A 4 1.634 -0.132 1.732 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.448 1.598 3.090 1.00 0.00 H new ATOM 0 H3' DG A 4 1.432 2.628 1.170 1.00 0.00 H new ATOM 0 H2' DG A 4 3.348 2.332 2.598 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.780 3.888 3.171 1.00 0.00 H new ATOM 0 H1' DG A 4 1.520 2.898 5.000 1.00 0.00 H new ATOM 0 H8 DG A 4 4.995 2.346 4.099 1.00 0.00 H new ATOM 0 H1 DG A 4 3.528 -0.175 9.847 1.00 0.00 H new ATOM 0 H21 DG A 4 0.235 0.168 8.791 1.00 0.00 H new ATOM 0 H22 DG A 4 1.358 -0.365 10.047 1.00 0.00 H new ATOM 126 P DC A 5 0.488 5.175 1.646 1.00 0.00 P ATOM 127 OP1 DC A 5 -0.848 5.801 1.550 1.00 0.00 O ATOM 128 OP2 DC A 5 1.254 4.951 0.398 1.00 0.00 O ATOM 129 O5' DC A 5 1.406 6.059 2.646 1.00 0.00 O ATOM 130 C5' DC A 5 0.864 6.777 3.741 1.00 0.00 C ATOM 131 C4' DC A 5 0.601 5.861 4.941 1.00 0.00 C ATOM 132 O4' DC A 5 1.798 5.273 5.417 1.00 0.00 O ATOM 133 C3' DC A 5 -0.005 6.625 6.127 1.00 0.00 C ATOM 134 O3' DC A 5 -1.417 6.411 6.190 1.00 0.00 O ATOM 135 C2' DC A 5 0.856 6.169 7.310 1.00 0.00 C ATOM 136 C1' DC A 5 1.573 4.935 6.769 1.00 0.00 C ATOM 137 N1 DC A 5 2.806 4.631 7.547 1.00 0.00 N ATOM 138 C2 DC A 5 2.659 3.968 8.774 1.00 0.00 C ATOM 139 O2 DC A 5 1.551 3.640 9.193 1.00 0.00 O ATOM 140 N3 DC A 5 3.773 3.690 9.507 1.00 0.00 N ATOM 141 C4 DC A 5 4.994 4.022 9.066 1.00 0.00 C ATOM 142 N4 DC A 5 6.047 3.729 9.831 1.00 0.00 N ATOM 143 C5 DC A 5 5.175 4.678 7.799 1.00 0.00 C ATOM 144 C6 DC A 5 4.060 4.957 7.078 1.00 0.00 C ATOM 0 H5' DC A 5 -0.067 7.257 3.438 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.552 7.571 4.032 1.00 0.00 H new ATOM 0 H4' DC A 5 -0.093 5.103 4.578 1.00 0.00 H new ATOM 0 H3' DC A 5 0.031 7.713 6.077 1.00 0.00 H new ATOM 0 H2' DC A 5 1.561 6.942 7.616 1.00 0.00 H new ATOM 0 H2'' DC A 5 0.247 5.930 8.182 1.00 0.00 H new ATOM 0 H1' DC A 5 1.005 4.009 6.858 1.00 0.00 H new ATOM 0 H41 DC A 5 6.987 3.971 9.519 1.00 0.00 H new ATOM 0 H42 DC A 5 5.912 3.263 10.728 1.00 0.00 H new ATOM 0 H5 DC A 5 6.158 4.938 7.436 1.00 0.00 H new ATOM 0 H6 DC A 5 4.157 5.444 6.119 1.00 0.00 H new ATOM 156 P DA A 6 -2.184 5.146 6.875 1.00 0.00 P ATOM 157 OP1 DA A 6 -1.412 3.906 6.640 1.00 0.00 O ATOM 158 OP2 DA A 6 -3.601 5.198 6.452 1.00 0.00 O ATOM 159 O5' DA A 6 -2.141 5.474 8.454 1.00 0.00 O ATOM 160 C5' DA A 6 -2.697 6.664 8.987 1.00 0.00 C ATOM 161 C4' DA A 6 -3.108 6.486 10.456 1.00 0.00 C ATOM 162 O4' DA A 6 -4.161 5.535 10.524 1.00 0.00 O ATOM 163 C3' DA A 6 -1.964 5.998 11.362 1.00 0.00 C ATOM 164 O3' DA A 6 -1.996 6.748 12.583 1.00 0.00 O ATOM 165 C2' DA A 6 -2.229 4.491 11.407 1.00 0.00 C ATOM 166 C1' DA A 6 -3.752 4.443 11.323 1.00 0.00 C ATOM 167 N9 DA A 6 -4.251 3.162 10.776 1.00 0.00 N ATOM 168 C8 DA A 6 -4.122 2.659 9.504 1.00 0.00 C ATOM 169 N7 DA A 6 -4.623 1.464 9.353 1.00 0.00 N ATOM 170 C5 DA A 6 -5.085 1.130 10.623 1.00 0.00 C ATOM 171 C6 DA A 6 -5.678 -0.034 11.171 1.00 0.00 C ATOM 172 N6 DA A 6 -5.919 -1.144 10.465 1.00 0.00 N ATOM 173 N1 DA A 6 -5.999 -0.044 12.480 1.00 0.00 N ATOM 174 C2 DA A 6 -5.738 1.037 13.213 1.00 0.00 C ATOM 175 N3 DA A 6 -5.169 2.181 12.831 1.00 0.00 N ATOM 176 C4 DA A 6 -4.865 2.167 11.500 1.00 0.00 C ATOM 0 H5' DA A 6 -3.566 6.956 8.398 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.971 7.473 8.907 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.412 7.468 10.817 1.00 0.00 H new ATOM 0 H3' DA A 6 -0.934 6.156 11.041 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.756 3.967 10.576 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.855 4.037 12.324 1.00 0.00 H new ATOM 0 H1' DA A 6 -4.175 4.513 12.325 1.00 0.00 H new ATOM 0 H8 DA A 6 -3.648 3.204 8.701 1.00 0.00 H new ATOM 0 H61 DA A 6 -6.349 -1.952 10.916 1.00 0.00 H new ATOM 0 H62 DA A 6 -5.673 -1.183 9.476 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.025 0.980 14.253 1.00 0.00 H new ATOM 188 P DT A 7 -1.939 6.156 14.098 1.00 0.00 P ATOM 189 OP1 DT A 7 -3.066 5.218 14.305 1.00 0.00 O ATOM 190 OP2 DT A 7 -1.784 7.302 15.021 1.00 0.00 O ATOM 191 O5' DT A 7 -0.556 5.325 14.124 1.00 0.00 O ATOM 192 C5' DT A 7 -0.355 4.223 14.994 1.00 0.00 C ATOM 193 C4' DT A 7 1.004 4.328 15.684 1.00 0.00 C ATOM 194 O4' DT A 7 2.029 4.323 14.714 1.00 0.00 O ATOM 195 C3' DT A 7 1.139 5.615 16.510 1.00 0.00 C ATOM 196 O3' DT A 7 1.389 5.350 17.882 1.00 0.00 O ATOM 197 C2' DT A 7 2.301 6.361 15.865 1.00 0.00 C ATOM 198 C1' DT A 7 3.012 5.268 15.067 1.00 0.00 C ATOM 199 N1 DT A 7 3.657 5.773 13.825 1.00 0.00 N ATOM 200 C2 DT A 7 5.052 5.789 13.744 1.00 0.00 C ATOM 201 O2 DT A 7 5.786 5.415 14.658 1.00 0.00 O ATOM 202 N3 DT A 7 5.597 6.263 12.555 1.00 0.00 N ATOM 203 C4 DT A 7 4.879 6.736 11.462 1.00 0.00 C ATOM 204 O4 DT A 7 5.478 7.129 10.463 1.00 0.00 O ATOM 205 C5 DT A 7 3.434 6.714 11.636 1.00 0.00 C ATOM 206 C7 DT A 7 2.533 7.209 10.520 1.00 0.00 C ATOM 207 C6 DT A 7 2.881 6.243 12.785 1.00 0.00 C ATOM 0 H5' DT A 7 -0.412 3.292 14.430 1.00 0.00 H new ATOM 0 H5'' DT A 7 -1.148 4.193 15.741 1.00 0.00 H new ATOM 0 H4' DT A 7 1.088 3.473 16.355 1.00 0.00 H new ATOM 0 H3' DT A 7 0.217 6.196 16.504 1.00 0.00 H new ATOM 0 H2' DT A 7 1.954 7.169 15.221 1.00 0.00 H new ATOM 0 H2'' DT A 7 2.958 6.808 16.611 1.00 0.00 H new ATOM 0 H1' DT A 7 3.808 4.849 15.682 1.00 0.00 H new ATOM 0 H3 DT A 7 6.614 6.264 12.478 1.00 0.00 H new ATOM 0 H71 DT A 7 1.585 6.672 10.552 1.00 0.00 H new ATOM 0 H72 DT A 7 2.350 8.276 10.646 1.00 0.00 H new ATOM 0 H73 DT A 7 3.016 7.035 9.558 1.00 0.00 H new ATOM 0 H6 DT A 7 1.806 6.236 12.887 1.00 0.00 H new ATOM 220 P DG A 8 0.232 4.791 18.876 1.00 0.00 P ATOM 221 OP1 DG A 8 -1.067 5.356 18.445 1.00 0.00 O ATOM 222 OP2 DG A 8 0.688 4.995 20.267 1.00 0.00 O ATOM 223 O5' DG A 8 0.196 3.202 18.586 1.00 0.00 O ATOM 224 C5' DG A 8 1.268 2.358 18.964 1.00 0.00 C ATOM 225 C4' DG A 8 1.046 0.950 18.406 1.00 0.00 C ATOM 226 O4' DG A 8 0.965 0.952 16.988 1.00 0.00 O ATOM 227 C3' DG A 8 2.178 -0.004 18.796 1.00 0.00 C ATOM 228 O3' DG A 8 1.911 -0.685 20.006 1.00 0.00 O ATOM 229 C2' DG A 8 2.184 -0.969 17.618 1.00 0.00 C ATOM 230 C1' DG A 8 1.803 -0.058 16.449 1.00 0.00 C ATOM 231 N9 DG A 8 2.964 0.582 15.777 1.00 0.00 N ATOM 232 C8 DG A 8 4.273 0.703 16.184 1.00 0.00 C ATOM 233 N7 DG A 8 5.045 1.315 15.333 1.00 0.00 N ATOM 234 C5 DG A 8 4.196 1.641 14.281 1.00 0.00 C ATOM 235 C6 DG A 8 4.465 2.324 13.050 1.00 0.00 C ATOM 236 O6 DG A 8 5.534 2.770 12.639 1.00 0.00 O ATOM 237 N1 DG A 8 3.327 2.471 12.262 1.00 0.00 N ATOM 238 C2 DG A 8 2.075 2.005 12.613 1.00 0.00 C ATOM 239 N2 DG A 8 1.079 2.258 11.766 1.00 0.00 N ATOM 240 N3 DG A 8 1.819 1.342 13.754 1.00 0.00 N ATOM 241 C4 DG A 8 2.920 1.197 14.548 1.00 0.00 C ATOM 0 H5' DG A 8 1.346 2.320 20.051 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.209 2.762 18.591 1.00 0.00 H new ATOM 0 H4' DG A 8 0.104 0.611 18.837 1.00 0.00 H new ATOM 0 H3' DG A 8 3.127 0.501 18.973 1.00 0.00 H new ATOM 0 H2' DG A 8 3.162 -1.429 17.474 1.00 0.00 H new ATOM 0 H2'' DG A 8 1.468 -1.779 17.752 1.00 0.00 H new ATOM 0 HO3' DG A 8 2.658 -1.284 20.216 1.00 0.00 H new ATOM 0 H1' DG A 8 1.317 -0.663 15.684 1.00 0.00 H new ATOM 0 H8 DG A 8 4.630 0.322 17.130 1.00 0.00 H new ATOM 0 H1 DG A 8 3.424 2.954 11.369 1.00 0.00 H new ATOM 0 H21 DG A 8 0.135 1.936 11.978 1.00 0.00 H new ATOM 0 H22 DG A 8 1.260 2.774 10.905 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 2.411 -3.896 0.626 1.00 0.00 NA HETATM 256 NA NA A 102 -2.099 7.392 17.488 1.00 0.00 NA HETATM 257 NA NA A 103 -4.972 -7.237 14.502 1.00 0.00 NA HETATM 258 NA NA A 104 -3.326 2.801 14.732 1.00 0.00 NA HETATM 259 NA NA A 105 -0.674 6.056 -0.995 1.00 0.00 NA HETATM 260 NA NA A 106 -3.344 -3.193 3.586 1.00 0.00 NA HETATM 261 NA NA A 107 -0.686 1.510 6.679 1.00 0.00 NA