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 28:sc=0.000876 USER MOD Single : A 2 DT C7 :methyl -30:sc= 0 (180deg=-0.0396) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.109 (180deg=-0.109) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -4.728 -5.160 6.529 1.00 0.00 O ATOM 2 C5' DC A 1 -5.647 -4.289 7.162 1.00 0.00 C ATOM 3 C4' DC A 1 -4.961 -3.012 7.665 1.00 0.00 C ATOM 4 O4' DC A 1 -3.957 -3.358 8.603 1.00 0.00 O ATOM 5 C3' DC A 1 -4.292 -2.198 6.545 1.00 0.00 C ATOM 6 O3' DC A 1 -4.843 -0.888 6.504 1.00 0.00 O ATOM 7 C2' DC A 1 -2.825 -2.176 6.959 1.00 0.00 C ATOM 8 C1' DC A 1 -2.872 -2.468 8.458 1.00 0.00 C ATOM 9 N1 DC A 1 -1.575 -3.041 8.917 1.00 0.00 N ATOM 10 C2 DC A 1 -0.518 -2.159 9.176 1.00 0.00 C ATOM 11 O2 DC A 1 -0.665 -0.942 9.074 1.00 0.00 O ATOM 12 N3 DC A 1 0.691 -2.673 9.546 1.00 0.00 N ATOM 13 C4 DC A 1 0.876 -3.994 9.675 1.00 0.00 C ATOM 14 N4 DC A 1 2.086 -4.442 10.022 1.00 0.00 N ATOM 15 C5 DC A 1 -0.202 -4.918 9.447 1.00 0.00 C ATOM 16 C6 DC A 1 -1.399 -4.400 9.072 1.00 0.00 C ATOM 0 H5' DC A 1 -6.119 -4.803 7.999 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.440 -4.025 6.462 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.744 -2.397 8.108 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.435 -2.615 5.548 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.245 -2.927 6.422 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.364 -1.210 6.753 1.00 0.00 H new ATOM 0 HO5' DC A 1 -3.833 -5.020 6.903 1.00 0.00 H new ATOM 0 H1' DC A 1 -3.014 -1.579 9.073 1.00 0.00 H new ATOM 0 H41 DC A 1 2.249 -5.444 10.126 1.00 0.00 H new ATOM 0 H42 DC A 1 2.847 -3.782 10.183 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.064 -5.982 9.569 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.230 -5.065 8.891 1.00 0.00 H new ATOM 29 P DT A 2 -4.774 0.055 5.185 1.00 0.00 P ATOM 30 OP1 DT A 2 -5.878 1.035 5.290 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.692 -0.797 3.977 1.00 0.00 O ATOM 32 O5' DT A 2 -3.385 0.860 5.330 1.00 0.00 O ATOM 33 C5' DT A 2 -3.082 1.986 4.520 1.00 0.00 C ATOM 34 C4' DT A 2 -1.845 2.750 5.028 1.00 0.00 C ATOM 35 O4' DT A 2 -2.107 3.212 6.350 1.00 0.00 O ATOM 36 C3' DT A 2 -0.575 1.884 5.075 1.00 0.00 C ATOM 37 O3' DT A 2 0.644 2.529 4.669 1.00 0.00 O ATOM 38 C2' DT A 2 -0.583 1.416 6.520 1.00 0.00 C ATOM 39 C1' DT A 2 -1.178 2.617 7.239 1.00 0.00 C ATOM 40 N1 DT A 2 -1.770 2.234 8.544 1.00 0.00 N ATOM 41 C2 DT A 2 -0.967 2.363 9.679 1.00 0.00 C ATOM 42 O2 DT A 2 0.161 2.853 9.659 1.00 0.00 O ATOM 43 N3 DT A 2 -1.512 1.912 10.873 1.00 0.00 N ATOM 44 C4 DT A 2 -2.779 1.367 11.035 1.00 0.00 C ATOM 45 O4 DT A 2 -3.158 1.037 12.156 1.00 0.00 O ATOM 46 C5 DT A 2 -3.545 1.245 9.803 1.00 0.00 C ATOM 47 C7 DT A 2 -4.937 0.645 9.842 1.00 0.00 C ATOM 48 C6 DT A 2 -3.025 1.669 8.621 1.00 0.00 C ATOM 0 H5' DT A 2 -3.940 2.658 4.500 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.909 1.658 3.495 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.666 3.567 4.329 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.594 1.077 4.343 1.00 0.00 H new ATOM 0 H2' DT A 2 -1.188 0.519 6.655 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.419 1.182 6.878 1.00 0.00 H new ATOM 0 H1' DT A 2 -0.408 3.345 7.495 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.929 1.988 11.707 1.00 0.00 H new ATOM 0 H71 DT A 2 -4.998 -0.081 10.653 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.669 1.435 10.006 1.00 0.00 H new ATOM 0 H73 DT A 2 -5.146 0.148 8.894 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.610 1.561 7.719 1.00 0.00 H new ATOM 61 P DT A 3 1.265 3.970 5.163 1.00 0.00 P ATOM 62 OP1 DT A 3 0.173 4.949 5.344 1.00 0.00 O ATOM 63 OP2 DT A 3 2.349 4.302 4.215 1.00 0.00 O ATOM 64 O5' DT A 3 1.954 3.787 6.624 1.00 0.00 O ATOM 65 C5' DT A 3 2.644 2.618 7.020 1.00 0.00 C ATOM 66 C4' DT A 3 4.160 2.755 7.176 1.00 0.00 C ATOM 67 O4' DT A 3 4.609 1.541 7.759 1.00 0.00 O ATOM 68 C3' DT A 3 4.961 2.899 5.880 1.00 0.00 C ATOM 69 O3' DT A 3 6.226 3.508 6.101 1.00 0.00 O ATOM 70 C2' DT A 3 5.146 1.450 5.446 1.00 0.00 C ATOM 71 C1' DT A 3 5.231 0.719 6.787 1.00 0.00 C ATOM 72 N1 DT A 3 4.670 -0.669 6.777 1.00 0.00 N ATOM 73 C2 DT A 3 5.529 -1.732 7.090 1.00 0.00 C ATOM 74 O2 DT A 3 6.722 -1.586 7.350 1.00 0.00 O ATOM 75 N3 DT A 3 4.970 -3.006 7.086 1.00 0.00 N ATOM 76 C4 DT A 3 3.654 -3.319 6.768 1.00 0.00 C ATOM 77 O4 DT A 3 3.277 -4.488 6.811 1.00 0.00 O ATOM 78 C5 DT A 3 2.841 -2.172 6.391 1.00 0.00 C ATOM 79 C7 DT A 3 1.397 -2.377 5.969 1.00 0.00 C ATOM 80 C6 DT A 3 3.363 -0.917 6.405 1.00 0.00 C ATOM 0 H5' DT A 3 2.443 1.836 6.288 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.230 2.280 7.970 1.00 0.00 H new ATOM 0 H4' DT A 3 4.322 3.666 7.752 1.00 0.00 H new ATOM 0 H3' DT A 3 4.461 3.530 5.145 1.00 0.00 H new ATOM 0 H2' DT A 3 4.311 1.096 4.842 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.049 1.315 4.851 1.00 0.00 H new ATOM 0 H1' DT A 3 6.283 0.561 7.026 1.00 0.00 H new ATOM 0 H3 DT A 3 5.582 -3.781 7.340 1.00 0.00 H new ATOM 0 H71 DT A 3 0.812 -1.495 6.232 1.00 0.00 H new ATOM 0 H72 DT A 3 1.352 -2.534 4.891 1.00 0.00 H new ATOM 0 H73 DT A 3 0.989 -3.249 6.480 1.00 0.00 H new ATOM 0 H6 DT A 3 2.736 -0.087 6.116 1.00 0.00 H new ATOM 93 P DG A 4 6.435 5.116 6.085 1.00 0.00 P ATOM 94 OP1 DG A 4 5.475 5.714 5.131 1.00 0.00 O ATOM 95 OP2 DG A 4 7.885 5.357 5.909 1.00 0.00 O ATOM 96 O5' DG A 4 6.015 5.581 7.577 1.00 0.00 O ATOM 97 C5' DG A 4 6.937 5.621 8.656 1.00 0.00 C ATOM 98 C4' DG A 4 6.336 4.950 9.891 1.00 0.00 C ATOM 99 O4' DG A 4 6.057 3.591 9.625 1.00 0.00 O ATOM 100 C3' DG A 4 7.287 4.965 11.098 1.00 0.00 C ATOM 101 O3' DG A 4 6.669 5.690 12.151 1.00 0.00 O ATOM 102 C2' DG A 4 7.450 3.481 11.433 1.00 0.00 C ATOM 103 C1' DG A 4 6.164 2.911 10.850 1.00 0.00 C ATOM 104 N9 DG A 4 6.167 1.448 10.640 1.00 0.00 N ATOM 105 C8 DG A 4 7.217 0.577 10.496 1.00 0.00 C ATOM 106 N7 DG A 4 6.863 -0.675 10.402 1.00 0.00 N ATOM 107 C5 DG A 4 5.472 -0.639 10.457 1.00 0.00 C ATOM 108 C6 DG A 4 4.502 -1.691 10.347 1.00 0.00 C ATOM 109 O6 DG A 4 4.681 -2.901 10.227 1.00 0.00 O ATOM 110 N1 DG A 4 3.197 -1.209 10.366 1.00 0.00 N ATOM 111 C2 DG A 4 2.860 0.120 10.511 1.00 0.00 C ATOM 112 N2 DG A 4 1.566 0.417 10.467 1.00 0.00 N ATOM 113 N3 DG A 4 3.757 1.104 10.669 1.00 0.00 N ATOM 114 C4 DG A 4 5.044 0.661 10.617 1.00 0.00 C ATOM 0 H5' DG A 4 7.195 6.655 8.885 1.00 0.00 H new ATOM 0 H5'' DG A 4 7.861 5.117 8.373 1.00 0.00 H new ATOM 0 H4' DG A 4 5.435 5.518 10.124 1.00 0.00 H new ATOM 0 H3' DG A 4 8.251 5.442 10.920 1.00 0.00 H new ATOM 0 H2' DG A 4 8.339 3.049 10.973 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.530 3.306 12.506 1.00 0.00 H new ATOM 0 H1' DG A 4 5.328 3.054 11.535 1.00 0.00 H new ATOM 0 H8 DG A 4 8.247 0.900 10.463 1.00 0.00 H new ATOM 0 H1 DG A 4 2.439 -1.884 10.266 1.00 0.00 H new ATOM 0 H21 DG A 4 1.261 1.385 10.569 1.00 0.00 H new ATOM 0 H22 DG A 4 0.877 -0.323 10.331 1.00 0.00 H new ATOM 126 P DC A 5 7.501 6.287 13.405 1.00 0.00 P ATOM 127 OP1 DC A 5 6.613 7.231 14.124 1.00 0.00 O ATOM 128 OP2 DC A 5 8.820 6.749 12.919 1.00 0.00 O ATOM 129 O5' DC A 5 7.729 4.984 14.339 1.00 0.00 O ATOM 130 C5' DC A 5 6.822 4.611 15.362 1.00 0.00 C ATOM 131 C4' DC A 5 5.428 4.247 14.836 1.00 0.00 C ATOM 132 O4' DC A 5 5.428 3.022 14.140 1.00 0.00 O ATOM 133 C3' DC A 5 4.446 4.090 15.995 1.00 0.00 C ATOM 134 O3' DC A 5 3.650 5.257 16.047 1.00 0.00 O ATOM 135 C2' DC A 5 3.670 2.818 15.662 1.00 0.00 C ATOM 136 C1' DC A 5 4.139 2.451 14.254 1.00 0.00 C ATOM 137 N1 DC A 5 4.162 0.972 14.067 1.00 0.00 N ATOM 138 C2 DC A 5 2.948 0.313 13.839 1.00 0.00 C ATOM 139 O2 DC A 5 1.889 0.933 13.777 1.00 0.00 O ATOM 140 N3 DC A 5 2.952 -1.043 13.696 1.00 0.00 N ATOM 141 C4 DC A 5 4.092 -1.745 13.756 1.00 0.00 C ATOM 142 N4 DC A 5 4.030 -3.070 13.611 1.00 0.00 N ATOM 143 C5 DC A 5 5.355 -1.092 13.968 1.00 0.00 C ATOM 144 C6 DC A 5 5.341 0.257 14.119 1.00 0.00 C ATOM 0 H5' DC A 5 6.731 5.431 16.074 1.00 0.00 H new ATOM 0 H5'' DC A 5 7.230 3.760 15.907 1.00 0.00 H new ATOM 0 H4' DC A 5 5.135 5.056 14.167 1.00 0.00 H new ATOM 0 H3' DC A 5 4.896 3.990 16.983 1.00 0.00 H new ATOM 0 H2' DC A 5 3.886 2.022 16.374 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.594 2.989 15.692 1.00 0.00 H new ATOM 0 H1' DC A 5 3.469 2.827 13.481 1.00 0.00 H new ATOM 0 H41 DC A 5 4.883 -3.628 13.652 1.00 0.00 H new ATOM 0 H42 DC A 5 3.130 -3.525 13.459 1.00 0.00 H new ATOM 0 H5 DC A 5 6.278 -1.652 14.006 1.00 0.00 H new ATOM 0 H6 DC A 5 6.271 0.781 14.283 1.00 0.00 H new ATOM 156 P DG A 6 2.678 5.603 17.285 1.00 0.00 P ATOM 157 OP1 DG A 6 2.527 7.074 17.326 1.00 0.00 O ATOM 158 OP2 DG A 6 3.134 4.871 18.488 1.00 0.00 O ATOM 159 O5' DG A 6 1.287 4.947 16.823 1.00 0.00 O ATOM 160 C5' DG A 6 0.599 5.408 15.681 1.00 0.00 C ATOM 161 C4' DG A 6 -0.774 4.740 15.646 1.00 0.00 C ATOM 162 O4' DG A 6 -1.514 5.208 14.531 1.00 0.00 O ATOM 163 C3' DG A 6 -0.732 3.224 15.485 1.00 0.00 C ATOM 164 O3' DG A 6 -1.989 2.729 15.913 1.00 0.00 O ATOM 165 C2' DG A 6 -0.594 3.067 13.982 1.00 0.00 C ATOM 166 C1' DG A 6 -1.457 4.236 13.497 1.00 0.00 C ATOM 167 N9 DG A 6 -1.003 4.887 12.244 1.00 0.00 N ATOM 168 C8 DG A 6 0.245 5.352 11.898 1.00 0.00 C ATOM 169 N7 DG A 6 0.306 5.876 10.704 1.00 0.00 N ATOM 170 C5 DG A 6 -0.989 5.736 10.207 1.00 0.00 C ATOM 171 C6 DG A 6 -1.534 6.084 8.928 1.00 0.00 C ATOM 172 O6 DG A 6 -0.963 6.618 7.980 1.00 0.00 O ATOM 173 N1 DG A 6 -2.878 5.737 8.801 1.00 0.00 N ATOM 174 C2 DG A 6 -3.618 5.130 9.800 1.00 0.00 C ATOM 175 N2 DG A 6 -4.891 4.842 9.519 1.00 0.00 N ATOM 176 N3 DG A 6 -3.116 4.814 11.006 1.00 0.00 N ATOM 177 C4 DG A 6 -1.797 5.138 11.148 1.00 0.00 C ATOM 0 H5' DG A 6 1.160 5.170 14.778 1.00 0.00 H new ATOM 0 H5'' DG A 6 0.493 6.492 15.714 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.222 4.991 16.608 1.00 0.00 H new ATOM 0 H3' DG A 6 0.052 2.709 16.040 1.00 0.00 H new ATOM 0 H2' DG A 6 0.441 3.150 13.650 1.00 0.00 H new ATOM 0 H2'' DG A 6 -0.965 2.104 13.630 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.433 3.812 13.262 1.00 0.00 H new ATOM 0 H8 DG A 6 1.099 5.289 12.556 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.344 5.943 7.918 1.00 0.00 H new ATOM 0 H21 DG A 6 -5.480 4.394 10.221 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.275 5.070 8.602 1.00 0.00 H new ATOM 189 P DT A 7 -2.184 1.829 17.232 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.516 2.125 17.805 1.00 0.00 O ATOM 191 OP2 DT A 7 -0.975 1.931 18.083 1.00 0.00 O ATOM 192 O5' DT A 7 -2.231 0.364 16.582 1.00 0.00 O ATOM 193 C5' DT A 7 -3.180 0.013 15.591 1.00 0.00 C ATOM 194 C4' DT A 7 -3.446 -1.493 15.594 1.00 0.00 C ATOM 195 O4' DT A 7 -2.276 -2.186 15.198 1.00 0.00 O ATOM 196 C3' DT A 7 -3.841 -1.996 16.990 1.00 0.00 C ATOM 197 O3' DT A 7 -4.937 -2.899 16.976 1.00 0.00 O ATOM 198 C2' DT A 7 -2.580 -2.683 17.501 1.00 0.00 C ATOM 199 C1' DT A 7 -1.852 -3.072 16.214 1.00 0.00 C ATOM 200 N1 DT A 7 -0.369 -3.020 16.372 1.00 0.00 N ATOM 201 C2 DT A 7 0.323 -4.222 16.563 1.00 0.00 C ATOM 202 O2 DT A 7 -0.204 -5.328 16.466 1.00 0.00 O ATOM 203 N3 DT A 7 1.671 -4.114 16.892 1.00 0.00 N ATOM 204 C4 DT A 7 2.372 -2.926 17.080 1.00 0.00 C ATOM 205 O4 DT A 7 3.558 -2.961 17.399 1.00 0.00 O ATOM 206 C5 DT A 7 1.580 -1.722 16.869 1.00 0.00 C ATOM 207 C7 DT A 7 2.208 -0.354 17.072 1.00 0.00 C ATOM 208 C6 DT A 7 0.276 -1.808 16.505 1.00 0.00 C ATOM 0 H5' DT A 7 -2.817 0.320 14.610 1.00 0.00 H new ATOM 0 H5'' DT A 7 -4.112 0.551 15.768 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.266 -1.678 14.901 1.00 0.00 H new ATOM 0 H3' DT A 7 -4.179 -1.175 17.622 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.979 -2.015 18.118 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.815 -3.555 18.111 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.097 -4.103 15.957 1.00 0.00 H new ATOM 0 H3 DT A 7 2.192 -4.983 17.006 1.00 0.00 H new ATOM 0 H71 DT A 7 1.730 0.368 16.410 1.00 0.00 H new ATOM 0 H72 DT A 7 2.073 -0.041 18.107 1.00 0.00 H new ATOM 0 H73 DT A 7 3.273 -0.405 16.845 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.274 -0.899 16.313 1.00 0.00 H new ATOM 221 P DG A 8 -6.459 -2.407 16.703 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.552 -0.960 17.005 1.00 0.00 O ATOM 223 OP2 DG A 8 -7.376 -3.354 17.375 1.00 0.00 O ATOM 224 O5' DG A 8 -6.626 -2.587 15.108 1.00 0.00 O ATOM 225 C5' DG A 8 -6.736 -3.868 14.516 1.00 0.00 C ATOM 226 C4' DG A 8 -6.277 -3.799 13.058 1.00 0.00 C ATOM 227 O4' DG A 8 -4.937 -3.362 12.975 1.00 0.00 O ATOM 228 C3' DG A 8 -6.297 -5.155 12.357 1.00 0.00 C ATOM 229 O3' DG A 8 -7.583 -5.490 11.877 1.00 0.00 O ATOM 230 C2' DG A 8 -5.325 -4.908 11.209 1.00 0.00 C ATOM 231 C1' DG A 8 -4.355 -3.869 11.789 1.00 0.00 C ATOM 232 N9 DG A 8 -3.017 -4.399 12.147 1.00 0.00 N ATOM 233 C8 DG A 8 -2.612 -5.685 12.411 1.00 0.00 C ATOM 234 N7 DG A 8 -1.364 -5.791 12.772 1.00 0.00 N ATOM 235 C5 DG A 8 -0.898 -4.480 12.762 1.00 0.00 C ATOM 236 C6 DG A 8 0.391 -3.948 13.093 1.00 0.00 C ATOM 237 O6 DG A 8 1.404 -4.549 13.443 1.00 0.00 O ATOM 238 N1 DG A 8 0.432 -2.560 12.995 1.00 0.00 N ATOM 239 C2 DG A 8 -0.639 -1.777 12.614 1.00 0.00 C ATOM 240 N2 DG A 8 -0.472 -0.459 12.667 1.00 0.00 N ATOM 241 N3 DG A 8 -1.834 -2.270 12.258 1.00 0.00 N ATOM 242 C4 DG A 8 -1.905 -3.626 12.369 1.00 0.00 C ATOM 0 H5' DG A 8 -7.768 -4.216 14.567 1.00 0.00 H new ATOM 0 H5'' DG A 8 -6.129 -4.587 15.066 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.976 -3.113 12.580 1.00 0.00 H new ATOM 0 H3' DG A 8 -6.031 -5.989 13.007 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.808 -5.822 10.915 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.836 -4.532 10.323 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.550 -6.364 11.434 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.199 -3.121 11.012 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.272 -6.536 12.327 1.00 0.00 H new ATOM 0 H1 DG A 8 1.310 -2.091 13.219 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.234 0.163 12.396 1.00 0.00 H new ATOM 0 H22 DG A 8 0.418 -0.070 12.979 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 8.609 3.159 7.113 1.00 0.00 NA HETATM 257 NA NA A 102 1.073 3.201 18.792 1.00 0.00 NA HETATM 258 NA NA A 103 -6.698 0.388 2.914 1.00 0.00 NA HETATM 259 NA NA A 104 -5.844 1.367 17.421 1.00 0.00 NA HETATM 260 NA NA A 105 4.653 7.648 15.698 1.00 0.00 NA HETATM 261 NA NA A 106 3.619 6.338 3.611 1.00 0.00 NA HETATM 262 NA NA A 107 1.426 5.807 8.075 1.00 0.00 NA