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=-0.223) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.24 (180deg=-0.24) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -4.037 -4.955 6.143 1.00 0.00 O ATOM 2 C5' DC A 1 -5.199 -4.312 6.634 1.00 0.00 C ATOM 3 C4' DC A 1 -4.874 -2.963 7.294 1.00 0.00 C ATOM 4 O4' DC A 1 -4.021 -3.190 8.405 1.00 0.00 O ATOM 5 C3' DC A 1 -4.175 -1.983 6.337 1.00 0.00 C ATOM 6 O3' DC A 1 -4.774 -0.697 6.415 1.00 0.00 O ATOM 7 C2' DC A 1 -2.748 -1.965 6.864 1.00 0.00 C ATOM 8 C1' DC A 1 -2.919 -2.307 8.343 1.00 0.00 C ATOM 9 N1 DC A 1 -1.659 -2.895 8.881 1.00 0.00 N ATOM 10 C2 DC A 1 -0.648 -2.019 9.292 1.00 0.00 C ATOM 11 O2 DC A 1 -0.816 -0.802 9.277 1.00 0.00 O ATOM 12 N3 DC A 1 0.547 -2.537 9.703 1.00 0.00 N ATOM 13 C4 DC A 1 0.761 -3.859 9.721 1.00 0.00 C ATOM 14 N4 DC A 1 1.953 -4.312 10.123 1.00 0.00 N ATOM 15 C5 DC A 1 -0.266 -4.782 9.317 1.00 0.00 C ATOM 16 C6 DC A 1 -1.449 -4.258 8.906 1.00 0.00 C ATOM 0 H5' DC A 1 -5.694 -4.960 7.358 1.00 0.00 H new ATOM 0 H5'' DC A 1 -5.900 -4.155 5.815 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.820 -2.514 7.595 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.238 -2.270 5.287 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.120 -2.694 6.352 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.280 -0.990 6.727 1.00 0.00 H new ATOM 0 HO5' DC A 1 -4.285 -5.810 5.732 1.00 0.00 H new ATOM 0 H1' DC A 1 -3.114 -1.432 8.963 1.00 0.00 H new ATOM 0 H41 DC A 1 2.137 -5.315 10.144 1.00 0.00 H new ATOM 0 H42 DC A 1 2.679 -3.654 10.408 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.102 -5.849 9.340 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.241 -4.921 8.592 1.00 0.00 H new ATOM 29 P DT A 2 -4.716 0.374 5.194 1.00 0.00 P ATOM 30 OP1 DT A 2 -5.828 1.329 5.396 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.633 -0.356 3.909 1.00 0.00 O ATOM 32 O5' DT A 2 -3.334 1.180 5.404 1.00 0.00 O ATOM 33 C5' DT A 2 -3.056 2.380 4.696 1.00 0.00 C ATOM 34 C4' DT A 2 -1.788 3.077 5.215 1.00 0.00 C ATOM 35 O4' DT A 2 -2.002 3.465 6.568 1.00 0.00 O ATOM 36 C3' DT A 2 -0.553 2.163 5.157 1.00 0.00 C ATOM 37 O3' DT A 2 0.633 2.767 4.610 1.00 0.00 O ATOM 38 C2' DT A 2 -0.461 1.668 6.599 1.00 0.00 C ATOM 39 C1' DT A 2 -1.075 2.800 7.409 1.00 0.00 C ATOM 40 N1 DT A 2 -1.681 2.329 8.681 1.00 0.00 N ATOM 41 C2 DT A 2 -0.908 2.416 9.840 1.00 0.00 C ATOM 42 O2 DT A 2 0.217 2.913 9.869 1.00 0.00 O ATOM 43 N3 DT A 2 -1.484 1.921 11.002 1.00 0.00 N ATOM 44 C4 DT A 2 -2.763 1.386 11.114 1.00 0.00 C ATOM 45 O4 DT A 2 -3.177 1.027 12.213 1.00 0.00 O ATOM 46 C5 DT A 2 -3.497 1.318 9.859 1.00 0.00 C ATOM 47 C7 DT A 2 -4.902 0.744 9.841 1.00 0.00 C ATOM 48 C6 DT A 2 -2.941 1.775 8.707 1.00 0.00 C ATOM 0 H5' DT A 2 -3.905 3.058 4.786 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.938 2.156 3.636 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.597 3.939 4.576 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.649 1.345 4.443 1.00 0.00 H new ATOM 0 H2' DT A 2 -1.007 0.735 6.738 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.572 1.480 6.893 1.00 0.00 H new ATOM 0 H1' DT A 2 -0.300 3.497 7.727 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.918 1.952 11.850 1.00 0.00 H new ATOM 0 H71 DT A 2 -4.999 -0.006 10.626 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.624 1.543 10.011 1.00 0.00 H new ATOM 0 H73 DT A 2 -5.094 0.282 8.873 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.502 1.702 7.787 1.00 0.00 H new ATOM 61 P DT A 3 1.304 4.217 4.986 1.00 0.00 P ATOM 62 OP1 DT A 3 0.564 4.902 6.064 1.00 0.00 O ATOM 63 OP2 DT A 3 1.557 4.935 3.718 1.00 0.00 O ATOM 64 O5' DT A 3 2.752 3.818 5.572 1.00 0.00 O ATOM 65 C5' DT A 3 2.887 2.830 6.568 1.00 0.00 C ATOM 66 C4' DT A 3 4.344 2.585 6.962 1.00 0.00 C ATOM 67 O4' DT A 3 4.386 1.367 7.695 1.00 0.00 O ATOM 68 C3' DT A 3 5.289 2.399 5.769 1.00 0.00 C ATOM 69 O3' DT A 3 6.613 2.819 6.077 1.00 0.00 O ATOM 70 C2' DT A 3 5.235 0.900 5.523 1.00 0.00 C ATOM 71 C1' DT A 3 5.036 0.358 6.937 1.00 0.00 C ATOM 72 N1 DT A 3 4.304 -0.944 6.948 1.00 0.00 N ATOM 73 C2 DT A 3 5.040 -2.115 7.174 1.00 0.00 C ATOM 74 O2 DT A 3 6.245 -2.117 7.420 1.00 0.00 O ATOM 75 N3 DT A 3 4.341 -3.315 7.097 1.00 0.00 N ATOM 76 C4 DT A 3 2.997 -3.458 6.774 1.00 0.00 C ATOM 77 O4 DT A 3 2.492 -4.577 6.738 1.00 0.00 O ATOM 78 C5 DT A 3 2.315 -2.202 6.492 1.00 0.00 C ATOM 79 C7 DT A 3 0.856 -2.221 6.076 1.00 0.00 C ATOM 80 C6 DT A 3 2.971 -1.016 6.593 1.00 0.00 C ATOM 0 H5' DT A 3 2.450 1.898 6.211 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.322 3.130 7.450 1.00 0.00 H new ATOM 0 H4' DT A 3 4.673 3.462 7.520 1.00 0.00 H new ATOM 0 H3' DT A 3 4.999 2.992 4.902 1.00 0.00 H new ATOM 0 H2' DT A 3 4.415 0.624 4.860 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.152 0.527 5.068 1.00 0.00 H new ATOM 0 H1' DT A 3 6.000 0.129 7.390 1.00 0.00 H new ATOM 0 H3 DT A 3 4.863 -4.169 7.296 1.00 0.00 H new ATOM 0 H71 DT A 3 0.371 -1.304 6.409 1.00 0.00 H new ATOM 0 H72 DT A 3 0.788 -2.294 4.991 1.00 0.00 H new ATOM 0 H73 DT A 3 0.360 -3.079 6.529 1.00 0.00 H new ATOM 0 H6 DT A 3 2.434 -0.102 6.389 1.00 0.00 H new ATOM 93 P DG A 4 7.090 4.361 5.903 1.00 0.00 P ATOM 94 OP1 DG A 4 6.351 4.957 4.767 1.00 0.00 O ATOM 95 OP2 DG A 4 8.570 4.355 5.886 1.00 0.00 O ATOM 96 O5' DG A 4 6.591 5.095 7.259 1.00 0.00 O ATOM 97 C5' DG A 4 7.389 5.172 8.431 1.00 0.00 C ATOM 98 C4' DG A 4 6.553 4.809 9.660 1.00 0.00 C ATOM 99 O4' DG A 4 6.134 3.463 9.541 1.00 0.00 O ATOM 100 C3' DG A 4 7.344 4.909 10.974 1.00 0.00 C ATOM 101 O3' DG A 4 6.603 5.688 11.905 1.00 0.00 O ATOM 102 C2' DG A 4 7.458 3.452 11.415 1.00 0.00 C ATOM 103 C1' DG A 4 6.182 2.874 10.816 1.00 0.00 C ATOM 104 N9 DG A 4 6.177 1.402 10.680 1.00 0.00 N ATOM 105 C8 DG A 4 7.221 0.513 10.638 1.00 0.00 C ATOM 106 N7 DG A 4 6.854 -0.736 10.534 1.00 0.00 N ATOM 107 C5 DG A 4 5.462 -0.679 10.518 1.00 0.00 C ATOM 108 C6 DG A 4 4.480 -1.719 10.398 1.00 0.00 C ATOM 109 O6 DG A 4 4.642 -2.934 10.302 1.00 0.00 O ATOM 110 N1 DG A 4 3.181 -1.220 10.379 1.00 0.00 N ATOM 111 C2 DG A 4 2.858 0.113 10.519 1.00 0.00 C ATOM 112 N2 DG A 4 1.566 0.419 10.500 1.00 0.00 N ATOM 113 N3 DG A 4 3.764 1.088 10.671 1.00 0.00 N ATOM 114 C4 DG A 4 5.047 0.628 10.648 1.00 0.00 C ATOM 0 H5' DG A 4 7.793 6.179 8.540 1.00 0.00 H new ATOM 0 H5'' DG A 4 8.239 4.495 8.347 1.00 0.00 H new ATOM 0 H4' DG A 4 5.722 5.514 9.695 1.00 0.00 H new ATOM 0 H3' DG A 4 8.319 5.388 10.884 1.00 0.00 H new ATOM 0 H2' DG A 4 8.354 2.970 11.023 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.489 3.349 12.500 1.00 0.00 H new ATOM 0 H1' DG A 4 5.329 3.084 11.462 1.00 0.00 H new ATOM 0 H8 DG A 4 8.256 0.819 10.687 1.00 0.00 H new ATOM 0 H1 DG A 4 2.417 -1.884 10.253 1.00 0.00 H new ATOM 0 H21 DG A 4 1.270 1.390 10.599 1.00 0.00 H new ATOM 0 H22 DG A 4 0.869 -0.317 10.386 1.00 0.00 H new ATOM 126 P DC A 5 7.300 6.421 13.170 1.00 0.00 P ATOM 127 OP1 DC A 5 6.299 7.326 13.784 1.00 0.00 O ATOM 128 OP2 DC A 5 8.605 6.964 12.736 1.00 0.00 O ATOM 129 O5' DC A 5 7.574 5.187 14.185 1.00 0.00 O ATOM 130 C5' DC A 5 6.682 4.833 15.227 1.00 0.00 C ATOM 131 C4' DC A 5 5.280 4.435 14.746 1.00 0.00 C ATOM 132 O4' DC A 5 5.284 3.207 14.056 1.00 0.00 O ATOM 133 C3' DC A 5 4.343 4.263 15.941 1.00 0.00 C ATOM 134 O3' DC A 5 3.519 5.409 16.019 1.00 0.00 O ATOM 135 C2' DC A 5 3.580 2.975 15.638 1.00 0.00 C ATOM 136 C1' DC A 5 4.010 2.614 14.217 1.00 0.00 C ATOM 137 N1 DC A 5 4.054 1.134 14.038 1.00 0.00 N ATOM 138 C2 DC A 5 2.847 0.458 13.829 1.00 0.00 C ATOM 139 O2 DC A 5 1.781 1.068 13.775 1.00 0.00 O ATOM 140 N3 DC A 5 2.866 -0.898 13.698 1.00 0.00 N ATOM 141 C4 DC A 5 4.014 -1.585 13.756 1.00 0.00 C ATOM 142 N4 DC A 5 3.968 -2.911 13.615 1.00 0.00 N ATOM 143 C5 DC A 5 5.271 -0.915 13.955 1.00 0.00 C ATOM 144 C6 DC A 5 5.242 0.436 14.092 1.00 0.00 C ATOM 0 H5' DC A 5 6.593 5.674 15.915 1.00 0.00 H new ATOM 0 H5'' DC A 5 7.110 4.004 15.790 1.00 0.00 H new ATOM 0 H4' DC A 5 4.947 5.232 14.081 1.00 0.00 H new ATOM 0 H3' DC A 5 4.835 4.179 16.910 1.00 0.00 H new ATOM 0 H2' DC A 5 3.835 2.185 16.345 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.502 3.125 15.703 1.00 0.00 H new ATOM 0 H1' DC A 5 3.309 2.978 13.465 1.00 0.00 H new ATOM 0 H41 DC A 5 4.828 -3.458 13.655 1.00 0.00 H new ATOM 0 H42 DC A 5 3.073 -3.377 13.467 1.00 0.00 H new ATOM 0 H5 DC A 5 6.200 -1.464 13.994 1.00 0.00 H new ATOM 0 H6 DC A 5 6.166 0.973 14.246 1.00 0.00 H new ATOM 156 P DG A 6 2.566 5.720 17.283 1.00 0.00 P ATOM 157 OP1 DG A 6 2.370 7.185 17.335 1.00 0.00 O ATOM 158 OP2 DG A 6 3.079 5.000 18.470 1.00 0.00 O ATOM 159 O5' DG A 6 1.181 5.025 16.862 1.00 0.00 O ATOM 160 C5' DG A 6 0.441 5.467 15.745 1.00 0.00 C ATOM 161 C4' DG A 6 -0.922 4.774 15.762 1.00 0.00 C ATOM 162 O4' DG A 6 -1.708 5.219 14.671 1.00 0.00 O ATOM 163 C3' DG A 6 -0.859 3.257 15.608 1.00 0.00 C ATOM 164 O3' DG A 6 -2.098 2.740 16.064 1.00 0.00 O ATOM 165 C2' DG A 6 -0.749 3.104 14.101 1.00 0.00 C ATOM 166 C1' DG A 6 -1.659 4.244 13.639 1.00 0.00 C ATOM 167 N9 DG A 6 -1.257 4.899 12.370 1.00 0.00 N ATOM 168 C8 DG A 6 -0.035 5.407 11.999 1.00 0.00 C ATOM 169 N7 DG A 6 -0.011 5.914 10.797 1.00 0.00 N ATOM 170 C5 DG A 6 -1.302 5.709 10.318 1.00 0.00 C ATOM 171 C6 DG A 6 -1.868 6.004 9.035 1.00 0.00 C ATOM 172 O6 DG A 6 -1.324 6.540 8.073 1.00 0.00 O ATOM 173 N1 DG A 6 -3.196 5.593 8.925 1.00 0.00 N ATOM 174 C2 DG A 6 -3.899 4.974 9.942 1.00 0.00 C ATOM 175 N2 DG A 6 -5.156 4.615 9.674 1.00 0.00 N ATOM 176 N3 DG A 6 -3.378 4.707 11.152 1.00 0.00 N ATOM 177 C4 DG A 6 -2.075 5.094 11.278 1.00 0.00 C ATOM 0 H5' DG A 6 0.973 5.235 14.822 1.00 0.00 H new ATOM 0 H5'' DG A 6 0.316 6.549 15.777 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.339 5.025 16.737 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.058 2.754 16.150 1.00 0.00 H new ATOM 0 H2' DG A 6 0.275 3.221 13.746 1.00 0.00 H new ATOM 0 H2'' DG A 6 -1.097 2.130 13.756 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.632 3.796 13.436 1.00 0.00 H new ATOM 0 H8 DG A 6 0.830 5.388 12.646 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.678 5.759 8.041 1.00 0.00 H new ATOM 0 H21 DG A 6 -5.719 4.155 10.390 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.554 4.801 8.753 1.00 0.00 H new ATOM 189 P DT A 7 -2.242 1.790 17.355 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.589 1.991 17.935 1.00 0.00 O ATOM 191 OP2 DT A 7 -1.041 1.943 18.210 1.00 0.00 O ATOM 192 O5' DT A 7 -2.204 0.336 16.675 1.00 0.00 O ATOM 193 C5' DT A 7 -3.153 -0.065 15.703 1.00 0.00 C ATOM 194 C4' DT A 7 -3.353 -1.584 15.716 1.00 0.00 C ATOM 195 O4' DT A 7 -2.153 -2.234 15.335 1.00 0.00 O ATOM 196 C3' DT A 7 -3.734 -2.102 17.109 1.00 0.00 C ATOM 197 O3' DT A 7 -4.743 -3.101 17.076 1.00 0.00 O ATOM 198 C2' DT A 7 -2.431 -2.676 17.650 1.00 0.00 C ATOM 199 C1' DT A 7 -1.685 -3.071 16.374 1.00 0.00 C ATOM 200 N1 DT A 7 -0.206 -2.958 16.525 1.00 0.00 N ATOM 201 C2 DT A 7 0.534 -4.127 16.739 1.00 0.00 C ATOM 202 O2 DT A 7 0.047 -5.254 16.693 1.00 0.00 O ATOM 203 N3 DT A 7 1.885 -3.961 17.029 1.00 0.00 N ATOM 204 C4 DT A 7 2.547 -2.744 17.159 1.00 0.00 C ATOM 205 O4 DT A 7 3.744 -2.725 17.439 1.00 0.00 O ATOM 206 C5 DT A 7 1.705 -1.577 16.937 1.00 0.00 C ATOM 207 C7 DT A 7 2.292 -0.184 17.076 1.00 0.00 C ATOM 208 C6 DT A 7 0.395 -1.720 16.611 1.00 0.00 C ATOM 0 H5' DT A 7 -2.821 0.252 14.714 1.00 0.00 H new ATOM 0 H5'' DT A 7 -4.105 0.431 15.894 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.161 -1.800 15.017 1.00 0.00 H new ATOM 0 H3' DT A 7 -4.155 -1.307 17.725 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.876 -1.941 18.233 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.605 -3.534 18.300 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.881 -4.119 16.147 1.00 0.00 H new ATOM 0 H3 DT A 7 2.440 -4.807 17.158 1.00 0.00 H new ATOM 0 H71 DT A 7 1.768 0.500 16.408 1.00 0.00 H new ATOM 0 H72 DT A 7 2.180 0.157 18.105 1.00 0.00 H new ATOM 0 H73 DT A 7 3.350 -0.207 16.815 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.195 -0.837 16.413 1.00 0.00 H new ATOM 221 P DG A 8 -6.302 -2.751 16.788 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.539 -1.331 17.139 1.00 0.00 O ATOM 223 OP2 DG A 8 -7.131 -3.805 17.413 1.00 0.00 O ATOM 224 O5' DG A 8 -6.430 -2.893 15.186 1.00 0.00 O ATOM 225 C5' DG A 8 -6.431 -4.157 14.550 1.00 0.00 C ATOM 226 C4' DG A 8 -6.143 -3.985 13.058 1.00 0.00 C ATOM 227 O4' DG A 8 -4.860 -3.423 12.865 1.00 0.00 O ATOM 228 C3' DG A 8 -6.125 -5.305 12.296 1.00 0.00 C ATOM 229 O3' DG A 8 -7.424 -5.711 11.911 1.00 0.00 O ATOM 230 C2' DG A 8 -5.265 -4.952 11.087 1.00 0.00 C ATOM 231 C1' DG A 8 -4.303 -3.896 11.651 1.00 0.00 C ATOM 232 N9 DG A 8 -2.947 -4.399 11.985 1.00 0.00 N ATOM 233 C8 DG A 8 -2.499 -5.686 12.162 1.00 0.00 C ATOM 234 N7 DG A 8 -1.270 -5.775 12.587 1.00 0.00 N ATOM 235 C5 DG A 8 -0.862 -4.452 12.713 1.00 0.00 C ATOM 236 C6 DG A 8 0.384 -3.902 13.161 1.00 0.00 C ATOM 237 O6 DG A 8 1.395 -4.491 13.532 1.00 0.00 O ATOM 238 N1 DG A 8 0.380 -2.510 13.155 1.00 0.00 N ATOM 239 C2 DG A 8 -0.694 -1.739 12.761 1.00 0.00 C ATOM 240 N2 DG A 8 -0.564 -0.422 12.883 1.00 0.00 N ATOM 241 N3 DG A 8 -1.856 -2.244 12.322 1.00 0.00 N ATOM 242 C4 DG A 8 -1.879 -3.606 12.328 1.00 0.00 C ATOM 0 H5' DG A 8 -7.396 -4.644 14.690 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.679 -4.803 15.003 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.945 -3.348 12.686 1.00 0.00 H new ATOM 0 H3' DG A 8 -5.746 -6.143 12.881 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.731 -5.821 10.703 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.864 -4.557 10.266 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.371 -6.560 11.424 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.188 -3.142 10.873 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.114 -6.552 11.965 1.00 0.00 H new ATOM 0 H1 DG A 8 1.226 -2.029 13.462 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.329 0.194 12.606 1.00 0.00 H new ATOM 0 H22 DG A 8 0.300 -0.027 13.254 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 8.967 2.153 7.099 1.00 0.00 NA HETATM 257 NA NA A 102 1.063 3.239 18.765 1.00 0.00 NA HETATM 258 NA NA A 103 -6.693 0.829 2.964 1.00 0.00 NA HETATM 259 NA NA A 104 -5.848 0.976 17.694 1.00 0.00 NA HETATM 260 NA NA A 105 4.445 7.792 15.505 1.00 0.00 NA HETATM 261 NA NA A 106 4.068 5.430 3.856 1.00 0.00 NA HETATM 262 NA NA A 107 1.156 5.812 8.314 1.00 0.00 NA