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 27:sc= 0.0018 USER MOD Single : A 2 DT C7 :methyl -30:sc= 0 (180deg=-0.124) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc=-0.00216 (180deg=-0.00216) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -4.970 -4.954 6.312 1.00 0.00 O ATOM 2 C5' DC A 1 -5.782 -4.004 6.972 1.00 0.00 C ATOM 3 C4' DC A 1 -4.958 -2.807 7.466 1.00 0.00 C ATOM 4 O4' DC A 1 -3.959 -3.245 8.373 1.00 0.00 O ATOM 5 C3' DC A 1 -4.247 -2.051 6.332 1.00 0.00 C ATOM 6 O3' DC A 1 -4.710 -0.707 6.306 1.00 0.00 O ATOM 7 C2' DC A 1 -2.777 -2.138 6.736 1.00 0.00 C ATOM 8 C1' DC A 1 -2.845 -2.386 8.241 1.00 0.00 C ATOM 9 N1 DC A 1 -1.570 -2.967 8.753 1.00 0.00 N ATOM 10 C2 DC A 1 -0.498 -2.097 8.991 1.00 0.00 C ATOM 11 O2 DC A 1 -0.609 -0.885 8.816 1.00 0.00 O ATOM 12 N3 DC A 1 0.685 -2.614 9.434 1.00 0.00 N ATOM 13 C4 DC A 1 0.828 -3.926 9.664 1.00 0.00 C ATOM 14 N4 DC A 1 2.006 -4.375 10.105 1.00 0.00 N ATOM 15 C5 DC A 1 -0.266 -4.836 9.460 1.00 0.00 C ATOM 16 C6 DC A 1 -1.436 -4.316 9.010 1.00 0.00 C ATOM 0 H5' DC A 1 -6.283 -4.476 7.817 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.561 -3.656 6.294 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.670 -2.132 7.941 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.424 -2.453 5.334 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.264 -2.947 6.217 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.240 -1.219 6.503 1.00 0.00 H new ATOM 0 HO5' DC A 1 -4.056 -4.902 6.661 1.00 0.00 H new ATOM 0 H1' DC A 1 -2.965 -1.481 8.836 1.00 0.00 H new ATOM 0 H41 DC A 1 2.137 -5.370 10.287 1.00 0.00 H new ATOM 0 H42 DC A 1 2.775 -3.723 10.260 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.161 -5.893 9.657 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.279 -4.971 8.850 1.00 0.00 H new ATOM 29 P DT A 2 -4.617 0.237 4.990 1.00 0.00 P ATOM 30 OP1 DT A 2 -5.668 1.271 5.114 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.588 -0.608 3.776 1.00 0.00 O ATOM 32 O5' DT A 2 -3.188 0.967 5.137 1.00 0.00 O ATOM 33 C5' DT A 2 -2.833 2.087 4.344 1.00 0.00 C ATOM 34 C4' DT A 2 -1.512 2.734 4.800 1.00 0.00 C ATOM 35 O4' DT A 2 -1.669 3.267 6.113 1.00 0.00 O ATOM 36 C3' DT A 2 -0.341 1.735 4.845 1.00 0.00 C ATOM 37 O3' DT A 2 0.938 2.218 4.408 1.00 0.00 O ATOM 38 C2' DT A 2 -0.370 1.296 6.303 1.00 0.00 C ATOM 39 C1' DT A 2 -0.820 2.566 7.009 1.00 0.00 C ATOM 40 N1 DT A 2 -1.456 2.315 8.329 1.00 0.00 N ATOM 41 C2 DT A 2 -0.704 2.575 9.480 1.00 0.00 C ATOM 42 O2 DT A 2 0.420 3.073 9.456 1.00 0.00 O ATOM 43 N3 DT A 2 -1.294 2.241 10.692 1.00 0.00 N ATOM 44 C4 DT A 2 -2.567 1.708 10.860 1.00 0.00 C ATOM 45 O4 DT A 2 -2.991 1.492 11.993 1.00 0.00 O ATOM 46 C5 DT A 2 -3.282 1.460 9.617 1.00 0.00 C ATOM 47 C7 DT A 2 -4.677 0.866 9.662 1.00 0.00 C ATOM 48 C6 DT A 2 -2.713 1.759 8.419 1.00 0.00 C ATOM 0 H5' DT A 2 -3.631 2.828 4.388 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.742 1.778 3.303 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.280 3.510 4.070 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.470 0.928 4.123 1.00 0.00 H new ATOM 0 H2' DT A 2 -1.063 0.471 6.467 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.609 0.963 6.648 1.00 0.00 H new ATOM 0 H1' DT A 2 0.050 3.174 7.256 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.743 2.401 11.536 1.00 0.00 H new ATOM 0 H71 DT A 2 -4.773 0.228 10.540 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.413 1.669 9.715 1.00 0.00 H new ATOM 0 H73 DT A 2 -4.850 0.274 8.763 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.262 1.555 7.512 1.00 0.00 H new ATOM 61 P DT A 3 1.684 3.640 4.762 1.00 0.00 P ATOM 62 OP1 DT A 3 0.693 4.737 4.773 1.00 0.00 O ATOM 63 OP2 DT A 3 2.832 3.745 3.838 1.00 0.00 O ATOM 64 O5' DT A 3 2.288 3.563 6.267 1.00 0.00 O ATOM 65 C5' DT A 3 2.854 2.387 6.810 1.00 0.00 C ATOM 66 C4' DT A 3 4.364 2.420 7.056 1.00 0.00 C ATOM 67 O4' DT A 3 4.685 1.180 7.665 1.00 0.00 O ATOM 68 C3' DT A 3 5.268 2.501 5.824 1.00 0.00 C ATOM 69 O3' DT A 3 6.557 3.004 6.143 1.00 0.00 O ATOM 70 C2' DT A 3 5.365 1.045 5.383 1.00 0.00 C ATOM 71 C1' DT A 3 5.260 0.293 6.716 1.00 0.00 C ATOM 72 N1 DT A 3 4.526 -1.013 6.669 1.00 0.00 N ATOM 73 C2 DT A 3 5.123 -2.127 7.273 1.00 0.00 C ATOM 74 O2 DT A 3 6.260 -2.114 7.739 1.00 0.00 O ATOM 75 N3 DT A 3 4.363 -3.292 7.324 1.00 0.00 N ATOM 76 C4 DT A 3 3.091 -3.461 6.791 1.00 0.00 C ATOM 77 O4 DT A 3 2.518 -4.543 6.902 1.00 0.00 O ATOM 78 C5 DT A 3 2.566 -2.284 6.116 1.00 0.00 C ATOM 79 C7 DT A 3 1.197 -2.339 5.459 1.00 0.00 C ATOM 80 C6 DT A 3 3.288 -1.135 6.065 1.00 0.00 C ATOM 0 H5' DT A 3 2.634 1.558 6.138 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.357 2.171 7.756 1.00 0.00 H new ATOM 0 H4' DT A 3 4.546 3.327 7.633 1.00 0.00 H new ATOM 0 H3' DT A 3 4.876 3.174 5.062 1.00 0.00 H new ATOM 0 H2' DT A 3 4.562 0.773 4.698 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.305 0.837 4.871 1.00 0.00 H new ATOM 0 H1' DT A 3 6.270 -0.004 7.000 1.00 0.00 H new ATOM 0 H3 DT A 3 4.778 -4.095 7.796 1.00 0.00 H new ATOM 0 H71 DT A 3 0.741 -1.349 5.485 1.00 0.00 H new ATOM 0 H72 DT A 3 1.303 -2.662 4.423 1.00 0.00 H new ATOM 0 H73 DT A 3 0.564 -3.045 5.996 1.00 0.00 H new ATOM 0 H6 DT A 3 2.881 -0.287 5.534 1.00 0.00 H new ATOM 93 P DG A 4 6.950 4.566 5.965 1.00 0.00 P ATOM 94 OP1 DG A 4 6.206 5.121 4.813 1.00 0.00 O ATOM 95 OP2 DG A 4 8.429 4.641 5.979 1.00 0.00 O ATOM 96 O5' DG A 4 6.382 5.264 7.311 1.00 0.00 O ATOM 97 C5' DG A 4 7.162 5.405 8.490 1.00 0.00 C ATOM 98 C4' DG A 4 6.410 4.862 9.706 1.00 0.00 C ATOM 99 O4' DG A 4 6.109 3.492 9.530 1.00 0.00 O ATOM 100 C3' DG A 4 7.239 4.958 10.997 1.00 0.00 C ATOM 101 O3' DG A 4 6.513 5.727 11.946 1.00 0.00 O ATOM 102 C2' DG A 4 7.385 3.501 11.432 1.00 0.00 C ATOM 103 C1' DG A 4 6.138 2.901 10.803 1.00 0.00 C ATOM 104 N9 DG A 4 6.139 1.429 10.694 1.00 0.00 N ATOM 105 C8 DG A 4 7.188 0.551 10.627 1.00 0.00 C ATOM 106 N7 DG A 4 6.830 -0.704 10.591 1.00 0.00 N ATOM 107 C5 DG A 4 5.437 -0.660 10.600 1.00 0.00 C ATOM 108 C6 DG A 4 4.462 -1.710 10.523 1.00 0.00 C ATOM 109 O6 DG A 4 4.634 -2.926 10.488 1.00 0.00 O ATOM 110 N1 DG A 4 3.160 -1.219 10.465 1.00 0.00 N ATOM 111 C2 DG A 4 2.831 0.120 10.504 1.00 0.00 C ATOM 112 N2 DG A 4 1.547 0.431 10.360 1.00 0.00 N ATOM 113 N3 DG A 4 3.729 1.105 10.634 1.00 0.00 N ATOM 114 C4 DG A 4 5.013 0.650 10.660 1.00 0.00 C ATOM 0 H5' DG A 4 7.406 6.456 8.647 1.00 0.00 H new ATOM 0 H5'' DG A 4 8.106 4.873 8.373 1.00 0.00 H new ATOM 0 H4' DG A 4 5.509 5.469 9.794 1.00 0.00 H new ATOM 0 H3' DG A 4 8.209 5.441 10.882 1.00 0.00 H new ATOM 0 H2' DG A 4 8.300 3.045 11.055 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.397 3.391 12.516 1.00 0.00 H new ATOM 0 H1' DG A 4 5.263 3.099 11.422 1.00 0.00 H new ATOM 0 H8 DG A 4 8.220 0.869 10.606 1.00 0.00 H new ATOM 0 H1 DG A 4 2.399 -1.894 10.389 1.00 0.00 H new ATOM 0 H21 DG A 4 1.253 1.408 10.382 1.00 0.00 H new ATOM 0 H22 DG A 4 0.855 -0.307 10.228 1.00 0.00 H new ATOM 126 P DC A 5 7.229 6.454 13.200 1.00 0.00 P ATOM 127 OP1 DC A 5 6.236 7.358 13.830 1.00 0.00 O ATOM 128 OP2 DC A 5 8.529 6.997 12.750 1.00 0.00 O ATOM 129 O5' DC A 5 7.516 5.216 14.203 1.00 0.00 O ATOM 130 C5' DC A 5 6.636 4.857 15.255 1.00 0.00 C ATOM 131 C4' DC A 5 5.234 4.440 14.789 1.00 0.00 C ATOM 132 O4' DC A 5 5.229 3.199 14.119 1.00 0.00 O ATOM 133 C3' DC A 5 4.313 4.288 15.999 1.00 0.00 C ATOM 134 O3' DC A 5 3.465 5.418 16.047 1.00 0.00 O ATOM 135 C2' DC A 5 3.582 2.970 15.762 1.00 0.00 C ATOM 136 C1' DC A 5 3.968 2.593 14.333 1.00 0.00 C ATOM 137 N1 DC A 5 4.022 1.113 14.164 1.00 0.00 N ATOM 138 C2 DC A 5 2.820 0.428 13.955 1.00 0.00 C ATOM 139 O2 DC A 5 1.750 1.029 13.894 1.00 0.00 O ATOM 140 N3 DC A 5 2.848 -0.929 13.828 1.00 0.00 N ATOM 141 C4 DC A 5 3.999 -1.608 13.894 1.00 0.00 C ATOM 142 N4 DC A 5 3.957 -2.936 13.763 1.00 0.00 N ATOM 143 C5 DC A 5 5.252 -0.930 14.095 1.00 0.00 C ATOM 144 C6 DC A 5 5.215 0.421 14.224 1.00 0.00 C ATOM 0 H5' DC A 5 6.543 5.700 15.939 1.00 0.00 H new ATOM 0 H5'' DC A 5 7.078 4.036 15.819 1.00 0.00 H new ATOM 0 H4' DC A 5 4.896 5.219 14.106 1.00 0.00 H new ATOM 0 H3' DC A 5 4.817 4.251 16.965 1.00 0.00 H new ATOM 0 H2' DC A 5 3.892 2.206 16.475 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.503 3.086 15.868 1.00 0.00 H new ATOM 0 H1' DC A 5 3.235 2.938 13.604 1.00 0.00 H new ATOM 0 H41 DC A 5 4.818 -3.480 13.809 1.00 0.00 H new ATOM 0 H42 DC A 5 3.064 -3.406 13.617 1.00 0.00 H new ATOM 0 H5 DC A 5 6.184 -1.474 14.141 1.00 0.00 H new ATOM 0 H6 DC A 5 6.136 0.964 14.376 1.00 0.00 H new ATOM 156 P DG A 6 2.586 5.793 17.347 1.00 0.00 P ATOM 157 OP1 DG A 6 2.360 7.255 17.311 1.00 0.00 O ATOM 158 OP2 DG A 6 3.178 5.164 18.547 1.00 0.00 O ATOM 159 O5' DG A 6 1.201 5.043 17.038 1.00 0.00 O ATOM 160 C5' DG A 6 0.398 5.425 15.947 1.00 0.00 C ATOM 161 C4' DG A 6 -0.943 4.703 16.046 1.00 0.00 C ATOM 162 O4' DG A 6 -1.782 5.141 14.994 1.00 0.00 O ATOM 163 C3' DG A 6 -0.877 3.187 15.893 1.00 0.00 C ATOM 164 O3' DG A 6 -2.103 2.681 16.400 1.00 0.00 O ATOM 165 C2' DG A 6 -0.811 3.035 14.381 1.00 0.00 C ATOM 166 C1' DG A 6 -1.743 4.174 13.957 1.00 0.00 C ATOM 167 N9 DG A 6 -1.424 4.833 12.670 1.00 0.00 N ATOM 168 C8 DG A 6 -0.220 5.284 12.181 1.00 0.00 C ATOM 169 N7 DG A 6 -0.286 5.750 10.964 1.00 0.00 N ATOM 170 C5 DG A 6 -1.626 5.603 10.613 1.00 0.00 C ATOM 171 C6 DG A 6 -2.303 5.893 9.383 1.00 0.00 C ATOM 172 O6 DG A 6 -1.827 6.336 8.341 1.00 0.00 O ATOM 173 N1 DG A 6 -3.668 5.609 9.440 1.00 0.00 N ATOM 174 C2 DG A 6 -4.306 5.095 10.554 1.00 0.00 C ATOM 175 N2 DG A 6 -5.623 4.893 10.465 1.00 0.00 N ATOM 176 N3 DG A 6 -3.672 4.799 11.699 1.00 0.00 N ATOM 177 C4 DG A 6 -2.335 5.076 11.668 1.00 0.00 C ATOM 0 H5' DG A 6 0.893 5.175 15.009 1.00 0.00 H new ATOM 0 H5'' DG A 6 0.246 6.504 15.950 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.306 4.936 17.047 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.059 2.677 16.402 1.00 0.00 H new ATOM 0 H2' DG A 6 0.200 3.158 13.994 1.00 0.00 H new ATOM 0 H2'' DG A 6 -1.165 2.060 14.045 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.713 3.707 13.788 1.00 0.00 H new ATOM 0 H8 DG A 6 0.696 5.255 12.752 1.00 0.00 H new ATOM 0 H1 DG A 6 -4.230 5.792 8.609 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.136 4.515 11.262 1.00 0.00 H new ATOM 0 H22 DG A 6 -6.116 5.116 9.600 1.00 0.00 H new ATOM 189 P DT A 7 -2.187 1.523 17.510 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.535 1.562 18.121 1.00 0.00 O ATOM 191 OP2 DT A 7 -0.987 1.605 18.375 1.00 0.00 O ATOM 192 O5' DT A 7 -2.077 0.200 16.607 1.00 0.00 O ATOM 193 C5' DT A 7 -3.074 -0.198 15.682 1.00 0.00 C ATOM 194 C4' DT A 7 -3.193 -1.728 15.673 1.00 0.00 C ATOM 195 O4' DT A 7 -1.954 -2.297 15.278 1.00 0.00 O ATOM 196 C3' DT A 7 -3.539 -2.280 17.064 1.00 0.00 C ATOM 197 O3' DT A 7 -4.555 -3.270 17.027 1.00 0.00 O ATOM 198 C2' DT A 7 -2.228 -2.870 17.568 1.00 0.00 C ATOM 199 C1' DT A 7 -1.471 -3.177 16.276 1.00 0.00 C ATOM 200 N1 DT A 7 0.005 -3.031 16.441 1.00 0.00 N ATOM 201 C2 DT A 7 0.790 -4.187 16.523 1.00 0.00 C ATOM 202 O2 DT A 7 0.345 -5.321 16.356 1.00 0.00 O ATOM 203 N3 DT A 7 2.137 -4.002 16.824 1.00 0.00 N ATOM 204 C4 DT A 7 2.753 -2.784 17.092 1.00 0.00 C ATOM 205 O4 DT A 7 3.950 -2.751 17.370 1.00 0.00 O ATOM 206 C5 DT A 7 1.866 -1.631 17.008 1.00 0.00 C ATOM 207 C7 DT A 7 2.391 -0.237 17.300 1.00 0.00 C ATOM 208 C6 DT A 7 0.561 -1.789 16.671 1.00 0.00 C ATOM 0 H5' DT A 7 -2.822 0.162 14.685 1.00 0.00 H new ATOM 0 H5'' DT A 7 -4.031 0.249 15.950 1.00 0.00 H new ATOM 0 H4' DT A 7 -3.990 -1.988 14.977 1.00 0.00 H new ATOM 0 H3' DT A 7 -3.937 -1.499 17.711 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.684 -2.166 18.197 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.392 -3.768 18.163 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.643 -4.215 15.993 1.00 0.00 H new ATOM 0 H3 DT A 7 2.725 -4.835 16.850 1.00 0.00 H new ATOM 0 H71 DT A 7 1.831 0.493 16.715 1.00 0.00 H new ATOM 0 H72 DT A 7 2.273 -0.019 18.361 1.00 0.00 H new ATOM 0 H73 DT A 7 3.447 -0.183 17.034 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.064 -0.913 16.580 1.00 0.00 H new ATOM 221 P DG A 8 -6.127 -2.891 16.882 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.340 -1.530 17.428 1.00 0.00 O ATOM 223 OP2 DG A 8 -6.921 -4.021 17.412 1.00 0.00 O ATOM 224 O5' DG A 8 -6.357 -2.819 15.286 1.00 0.00 O ATOM 225 C5' DG A 8 -6.426 -3.993 14.500 1.00 0.00 C ATOM 226 C4' DG A 8 -6.300 -3.645 13.016 1.00 0.00 C ATOM 227 O4' DG A 8 -5.051 -3.029 12.765 1.00 0.00 O ATOM 228 C3' DG A 8 -6.387 -4.892 12.136 1.00 0.00 C ATOM 229 O3' DG A 8 -7.688 -5.071 11.614 1.00 0.00 O ATOM 230 C2' DG A 8 -5.396 -4.615 11.014 1.00 0.00 C ATOM 231 C1' DG A 8 -4.434 -3.588 11.621 1.00 0.00 C ATOM 232 N9 DG A 8 -3.118 -4.130 12.043 1.00 0.00 N ATOM 233 C8 DG A 8 -2.734 -5.417 12.341 1.00 0.00 C ATOM 234 N7 DG A 8 -1.491 -5.532 12.720 1.00 0.00 N ATOM 235 C5 DG A 8 -1.009 -4.227 12.694 1.00 0.00 C ATOM 236 C6 DG A 8 0.286 -3.705 13.023 1.00 0.00 C ATOM 237 O6 DG A 8 1.294 -4.311 13.378 1.00 0.00 O ATOM 238 N1 DG A 8 0.342 -2.319 12.909 1.00 0.00 N ATOM 239 C2 DG A 8 -0.720 -1.528 12.519 1.00 0.00 C ATOM 240 N2 DG A 8 -0.537 -0.213 12.561 1.00 0.00 N ATOM 241 N3 DG A 8 -1.919 -2.012 12.163 1.00 0.00 N ATOM 242 C4 DG A 8 -2.003 -3.366 12.283 1.00 0.00 C ATOM 0 H5' DG A 8 -7.371 -4.506 14.682 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.630 -4.680 14.789 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.123 -2.972 12.775 1.00 0.00 H new ATOM 0 H3' DG A 8 -6.164 -5.803 12.691 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.873 -5.522 10.709 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.894 -4.221 10.128 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.708 -5.876 11.055 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.233 -2.863 10.832 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.405 -6.260 12.267 1.00 0.00 H new ATOM 0 H1 DG A 8 1.225 -1.858 13.128 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.290 0.416 12.283 1.00 0.00 H new ATOM 0 H22 DG A 8 0.357 0.168 12.871 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 8.727 2.622 7.557 1.00 0.00 NA HETATM 257 NA NA A 102 0.748 3.385 18.992 1.00 0.00 NA HETATM 258 NA NA A 103 -6.603 0.662 2.773 1.00 0.00 NA HETATM 259 NA NA A 104 -5.892 0.854 17.852 1.00 0.00 NA HETATM 260 NA NA A 105 4.220 7.809 15.329 1.00 0.00 NA HETATM 261 NA NA A 106 4.146 5.831 3.662 1.00 0.00 NA HETATM 262 NA NA A 107 0.266 5.532 7.132 1.00 0.00 NA