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= -0.129 (180deg=-0.399) 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 -0.698 -5.865 17.371 1.00 0.00 O ATOM 2 C5' DC A 1 0.287 -5.014 16.821 1.00 0.00 C ATOM 3 C4' DC A 1 -0.300 -4.171 15.684 1.00 0.00 C ATOM 4 O4' DC A 1 0.695 -3.267 15.252 1.00 0.00 O ATOM 5 C3' DC A 1 -0.738 -4.991 14.459 1.00 0.00 C ATOM 6 O3' DC A 1 -2.052 -4.587 14.095 1.00 0.00 O ATOM 7 C2' DC A 1 0.300 -4.602 13.404 1.00 0.00 C ATOM 8 C1' DC A 1 0.653 -3.185 13.844 1.00 0.00 C ATOM 9 N1 DC A 1 1.937 -2.687 13.269 1.00 0.00 N ATOM 10 C2 DC A 1 1.884 -1.920 12.100 1.00 0.00 C ATOM 11 O2 DC A 1 0.814 -1.680 11.548 1.00 0.00 O ATOM 12 N3 DC A 1 3.042 -1.418 11.583 1.00 0.00 N ATOM 13 C4 DC A 1 4.216 -1.616 12.196 1.00 0.00 C ATOM 14 N4 DC A 1 5.310 -1.067 11.660 1.00 0.00 N ATOM 15 C5 DC A 1 4.301 -2.394 13.403 1.00 0.00 C ATOM 16 C6 DC A 1 3.145 -2.912 13.894 1.00 0.00 C ATOM 0 H5' DC A 1 1.121 -5.608 16.447 1.00 0.00 H new ATOM 0 H5'' DC A 1 0.685 -4.360 17.597 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.188 -3.681 16.083 1.00 0.00 H new ATOM 0 H3' DC A 1 -0.777 -6.070 14.609 1.00 0.00 H new ATOM 0 H2' DC A 1 1.166 -5.264 13.415 1.00 0.00 H new ATOM 0 H2'' DC A 1 -0.109 -4.629 12.394 1.00 0.00 H new ATOM 0 HO5' DC A 1 -0.304 -6.397 18.094 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.077 -2.460 13.485 1.00 0.00 H new ATOM 0 H41 DC A 1 6.218 -1.201 12.105 1.00 0.00 H new ATOM 0 H42 DC A 1 5.237 -0.514 10.806 1.00 0.00 H new ATOM 0 H5 DC A 1 5.246 -2.560 13.899 1.00 0.00 H new ATOM 0 H6 DC A 1 3.173 -3.512 14.792 1.00 0.00 H new ATOM 29 P DT A 2 -3.013 -5.460 13.127 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.411 -5.180 13.522 1.00 0.00 O ATOM 31 OP2 DT A 2 -2.544 -6.863 13.104 1.00 0.00 O ATOM 32 O5' DT A 2 -2.776 -4.822 11.668 1.00 0.00 O ATOM 33 C5' DT A 2 -3.580 -5.182 10.558 1.00 0.00 C ATOM 34 C4' DT A 2 -3.219 -4.357 9.311 1.00 0.00 C ATOM 35 O4' DT A 2 -3.552 -2.990 9.540 1.00 0.00 O ATOM 36 C3' DT A 2 -1.720 -4.436 8.971 1.00 0.00 C ATOM 37 O3' DT A 2 -1.394 -4.651 7.592 1.00 0.00 O ATOM 38 C2' DT A 2 -1.196 -3.135 9.561 1.00 0.00 C ATOM 39 C1' DT A 2 -2.388 -2.189 9.422 1.00 0.00 C ATOM 40 N1 DT A 2 -2.361 -1.095 10.437 1.00 0.00 N ATOM 41 C2 DT A 2 -2.094 0.211 10.008 1.00 0.00 C ATOM 42 O2 DT A 2 -2.034 0.540 8.822 1.00 0.00 O ATOM 43 N3 DT A 2 -1.865 1.155 11.004 1.00 0.00 N ATOM 44 C4 DT A 2 -1.926 0.925 12.375 1.00 0.00 C ATOM 45 O4 DT A 2 -1.732 1.848 13.161 1.00 0.00 O ATOM 46 C5 DT A 2 -2.238 -0.447 12.740 1.00 0.00 C ATOM 47 C7 DT A 2 -2.330 -0.830 14.206 1.00 0.00 C ATOM 48 C6 DT A 2 -2.440 -1.389 11.782 1.00 0.00 C ATOM 0 H5' DT A 2 -4.631 -5.031 10.804 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.452 -6.243 10.343 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.782 -4.771 8.475 1.00 0.00 H new ATOM 0 H3' DT A 2 -1.247 -5.326 9.387 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.896 -3.256 10.602 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.324 -2.768 9.019 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.362 -1.680 8.458 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.631 2.101 10.702 1.00 0.00 H new ATOM 0 H71 DT A 2 -1.662 -0.197 14.790 1.00 0.00 H new ATOM 0 H72 DT A 2 -3.354 -0.695 14.554 1.00 0.00 H new ATOM 0 H73 DT A 2 -2.040 -1.874 14.328 1.00 0.00 H new ATOM 0 H6 DT A 2 -2.670 -2.400 12.083 1.00 0.00 H new ATOM 61 P DT A 3 -1.902 -3.811 6.280 1.00 0.00 P ATOM 62 OP1 DT A 3 -3.311 -3.402 6.467 1.00 0.00 O ATOM 63 OP2 DT A 3 -1.564 -4.638 5.102 1.00 0.00 O ATOM 64 O5' DT A 3 -1.028 -2.449 6.176 1.00 0.00 O ATOM 65 C5' DT A 3 0.369 -2.405 6.405 1.00 0.00 C ATOM 66 C4' DT A 3 1.239 -2.162 5.167 1.00 0.00 C ATOM 67 O4' DT A 3 2.543 -1.858 5.631 1.00 0.00 O ATOM 68 C3' DT A 3 1.434 -3.345 4.218 1.00 0.00 C ATOM 69 O3' DT A 3 1.854 -2.918 2.928 1.00 0.00 O ATOM 70 C2' DT A 3 2.548 -4.135 4.896 1.00 0.00 C ATOM 71 C1' DT A 3 3.336 -3.038 5.635 1.00 0.00 C ATOM 72 N1 DT A 3 3.813 -3.352 7.023 1.00 0.00 N ATOM 73 C2 DT A 3 5.040 -2.798 7.418 1.00 0.00 C ATOM 74 O2 DT A 3 5.715 -2.067 6.695 1.00 0.00 O ATOM 75 N3 DT A 3 5.489 -3.116 8.695 1.00 0.00 N ATOM 76 C4 DT A 3 4.833 -3.925 9.613 1.00 0.00 C ATOM 77 O4 DT A 3 5.354 -4.167 10.699 1.00 0.00 O ATOM 78 C5 DT A 3 3.541 -4.417 9.158 1.00 0.00 C ATOM 79 C7 DT A 3 2.693 -5.268 10.087 1.00 0.00 C ATOM 80 C6 DT A 3 3.087 -4.129 7.910 1.00 0.00 C ATOM 0 H5' DT A 3 0.674 -3.347 6.861 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.575 -1.618 7.131 1.00 0.00 H new ATOM 0 H4' DT A 3 0.718 -1.384 4.609 1.00 0.00 H new ATOM 0 H3' DT A 3 0.517 -3.912 4.056 1.00 0.00 H new ATOM 0 H2' DT A 3 2.154 -4.884 5.583 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.169 -4.663 4.172 1.00 0.00 H new ATOM 0 H1' DT A 3 4.270 -2.924 5.086 1.00 0.00 H new ATOM 0 H3 DT A 3 6.383 -2.718 8.984 1.00 0.00 H new ATOM 0 H71 DT A 3 1.638 -5.111 9.863 1.00 0.00 H new ATOM 0 H72 DT A 3 2.941 -6.320 9.945 1.00 0.00 H new ATOM 0 H73 DT A 3 2.890 -4.985 11.121 1.00 0.00 H new ATOM 0 H6 DT A 3 2.129 -4.519 7.600 1.00 0.00 H new ATOM 93 P DG A 4 0.802 -2.524 1.761 1.00 0.00 P ATOM 94 OP1 DG A 4 -0.333 -3.472 1.809 1.00 0.00 O ATOM 95 OP2 DG A 4 1.560 -2.363 0.501 1.00 0.00 O ATOM 96 O5' DG A 4 0.253 -1.072 2.212 1.00 0.00 O ATOM 97 C5' DG A 4 0.924 0.123 1.860 1.00 0.00 C ATOM 98 C4' DG A 4 0.508 1.248 2.813 1.00 0.00 C ATOM 99 O4' DG A 4 1.117 1.032 4.079 1.00 0.00 O ATOM 100 C3' DG A 4 0.985 2.619 2.316 1.00 0.00 C ATOM 101 O3' DG A 4 -0.020 3.583 2.601 1.00 0.00 O ATOM 102 C2' DG A 4 2.246 2.834 3.144 1.00 0.00 C ATOM 103 C1' DG A 4 1.828 2.192 4.463 1.00 0.00 C ATOM 104 N9 DG A 4 2.962 1.874 5.369 1.00 0.00 N ATOM 105 C8 DG A 4 4.317 2.029 5.179 1.00 0.00 C ATOM 106 N7 DG A 4 5.050 1.618 6.175 1.00 0.00 N ATOM 107 C5 DG A 4 4.128 1.136 7.097 1.00 0.00 C ATOM 108 C6 DG A 4 4.330 0.537 8.385 1.00 0.00 C ATOM 109 O6 DG A 4 5.381 0.320 8.984 1.00 0.00 O ATOM 110 N1 DG A 4 3.133 0.170 8.990 1.00 0.00 N ATOM 111 C2 DG A 4 1.889 0.372 8.432 1.00 0.00 C ATOM 112 N2 DG A 4 0.850 -0.064 9.136 1.00 0.00 N ATOM 113 N3 DG A 4 1.685 0.951 7.238 1.00 0.00 N ATOM 114 C4 DG A 4 2.846 1.301 6.614 1.00 0.00 C ATOM 0 H5' DG A 4 0.685 0.397 0.832 1.00 0.00 H new ATOM 0 H5'' DG A 4 2.003 -0.027 1.907 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.580 1.240 2.873 1.00 0.00 H new ATOM 0 H3' DG A 4 1.176 2.693 1.245 1.00 0.00 H new ATOM 0 H2' DG A 4 3.118 2.349 2.705 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.492 3.890 3.257 1.00 0.00 H new ATOM 0 H1' DG A 4 1.227 2.882 5.055 1.00 0.00 H new ATOM 0 H8 DG A 4 4.737 2.455 4.280 1.00 0.00 H new ATOM 0 H1 DG A 4 3.178 -0.277 9.906 1.00 0.00 H new ATOM 0 H21 DG A 4 -0.097 0.056 8.776 1.00 0.00 H new ATOM 0 H22 DG A 4 0.999 -0.519 10.037 1.00 0.00 H new ATOM 126 P DC A 5 -0.069 5.034 1.885 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.419 5.597 2.116 1.00 0.00 O ATOM 128 OP2 DC A 5 0.431 4.890 0.498 1.00 0.00 O ATOM 129 O5' DC A 5 1.007 5.914 2.720 1.00 0.00 O ATOM 130 C5' DC A 5 0.643 6.687 3.853 1.00 0.00 C ATOM 131 C4' DC A 5 0.299 5.804 5.058 1.00 0.00 C ATOM 132 O4' DC A 5 1.437 5.169 5.599 1.00 0.00 O ATOM 133 C3' DC A 5 -0.312 6.618 6.203 1.00 0.00 C ATOM 134 O3' DC A 5 -1.737 6.551 6.133 1.00 0.00 O ATOM 135 C2' DC A 5 0.384 6.063 7.453 1.00 0.00 C ATOM 136 C1' DC A 5 1.131 4.836 6.941 1.00 0.00 C ATOM 137 N1 DC A 5 2.337 4.563 7.772 1.00 0.00 N ATOM 138 C2 DC A 5 2.184 3.854 8.974 1.00 0.00 C ATOM 139 O2 DC A 5 1.080 3.460 9.352 1.00 0.00 O ATOM 140 N3 DC A 5 3.293 3.596 9.728 1.00 0.00 N ATOM 141 C4 DC A 5 4.507 4.012 9.340 1.00 0.00 C ATOM 142 N4 DC A 5 5.565 3.733 10.103 1.00 0.00 N ATOM 143 C5 DC A 5 4.684 4.747 8.120 1.00 0.00 C ATOM 144 C6 DC A 5 3.583 4.992 7.373 1.00 0.00 C ATOM 0 H5' DC A 5 -0.214 7.314 3.605 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.463 7.356 4.115 1.00 0.00 H new ATOM 0 H4' DC A 5 -0.408 5.069 4.673 1.00 0.00 H new ATOM 0 H3' DC A 5 -0.145 7.695 6.182 1.00 0.00 H new ATOM 0 H2' DC A 5 1.066 6.793 7.888 1.00 0.00 H new ATOM 0 H2'' DC A 5 -0.336 5.798 8.227 1.00 0.00 H new ATOM 0 H1' DC A 5 0.554 3.913 6.999 1.00 0.00 H new ATOM 0 H41 DC A 5 6.494 4.044 9.820 1.00 0.00 H new ATOM 0 H42 DC A 5 5.445 3.209 10.970 1.00 0.00 H new ATOM 0 H5 DC A 5 5.659 5.092 7.810 1.00 0.00 H new ATOM 0 H6 DC A 5 3.683 5.535 6.445 1.00 0.00 H new ATOM 156 P DA A 6 -2.677 5.315 6.623 1.00 0.00 P ATOM 157 OP1 DA A 6 -1.971 4.032 6.394 1.00 0.00 O ATOM 158 OP2 DA A 6 -4.009 5.523 6.015 1.00 0.00 O ATOM 159 O5' DA A 6 -2.812 5.530 8.210 1.00 0.00 O ATOM 160 C5' DA A 6 -3.264 6.748 8.773 1.00 0.00 C ATOM 161 C4' DA A 6 -3.296 6.666 10.306 1.00 0.00 C ATOM 162 O4' DA A 6 -4.322 5.769 10.703 1.00 0.00 O ATOM 163 C3' DA A 6 -1.970 6.177 10.916 1.00 0.00 C ATOM 164 O3' DA A 6 -1.648 6.991 12.047 1.00 0.00 O ATOM 165 C2' DA A 6 -2.247 4.683 11.114 1.00 0.00 C ATOM 166 C1' DA A 6 -3.750 4.671 11.387 1.00 0.00 C ATOM 167 N9 DA A 6 -4.382 3.400 10.977 1.00 0.00 N ATOM 168 C8 DA A 6 -4.476 2.851 9.720 1.00 0.00 C ATOM 169 N7 DA A 6 -4.998 1.656 9.698 1.00 0.00 N ATOM 170 C5 DA A 6 -5.237 1.373 11.041 1.00 0.00 C ATOM 171 C6 DA A 6 -5.724 0.231 11.723 1.00 0.00 C ATOM 172 N6 DA A 6 -6.088 -0.897 11.104 1.00 0.00 N ATOM 173 N1 DA A 6 -5.807 0.265 13.069 1.00 0.00 N ATOM 174 C2 DA A 6 -5.425 1.370 13.706 1.00 0.00 C ATOM 175 N3 DA A 6 -4.938 2.500 13.193 1.00 0.00 N ATOM 176 C4 DA A 6 -4.871 2.439 11.830 1.00 0.00 C ATOM 0 H5' DA A 6 -4.260 6.979 8.397 1.00 0.00 H new ATOM 0 H5'' DA A 6 -2.609 7.562 8.462 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.476 7.678 10.670 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.056 6.276 10.330 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.988 4.100 10.230 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.678 4.270 11.947 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.923 4.758 12.460 1.00 0.00 H new ATOM 0 H8 DA A 6 -4.146 3.364 8.829 1.00 0.00 H new ATOM 0 H61 DA A 6 -6.432 -1.689 11.647 1.00 0.00 H new ATOM 0 H62 DA A 6 -6.022 -0.966 10.088 1.00 0.00 H new ATOM 0 H2 DA A 6 -5.523 1.348 14.781 1.00 0.00 H new ATOM 188 P DT A 7 -1.291 6.487 13.548 1.00 0.00 P ATOM 189 OP1 DT A 7 -2.424 5.690 14.074 1.00 0.00 O ATOM 190 OP2 DT A 7 -0.853 7.675 14.311 1.00 0.00 O ATOM 191 O5' DT A 7 0.009 5.533 13.356 1.00 0.00 O ATOM 192 C5' DT A 7 0.145 4.275 14.006 1.00 0.00 C ATOM 193 C4' DT A 7 1.310 4.243 14.998 1.00 0.00 C ATOM 194 O4' DT A 7 2.529 4.257 14.288 1.00 0.00 O ATOM 195 C3' DT A 7 1.297 5.426 15.976 1.00 0.00 C ATOM 196 O3' DT A 7 1.163 5.028 17.329 1.00 0.00 O ATOM 197 C2' DT A 7 2.606 6.164 15.717 1.00 0.00 C ATOM 198 C1' DT A 7 3.417 5.202 14.845 1.00 0.00 C ATOM 199 N1 DT A 7 4.125 5.876 13.719 1.00 0.00 N ATOM 200 C2 DT A 7 5.523 5.889 13.707 1.00 0.00 C ATOM 201 O2 DT A 7 6.213 5.413 14.607 1.00 0.00 O ATOM 202 N3 DT A 7 6.126 6.488 12.605 1.00 0.00 N ATOM 203 C4 DT A 7 5.463 7.070 11.529 1.00 0.00 C ATOM 204 O4 DT A 7 6.110 7.552 10.602 1.00 0.00 O ATOM 205 C5 DT A 7 4.010 7.041 11.631 1.00 0.00 C ATOM 206 C7 DT A 7 3.161 7.649 10.528 1.00 0.00 C ATOM 207 C6 DT A 7 3.403 6.466 12.702 1.00 0.00 C ATOM 0 H5' DT A 7 0.291 3.498 13.256 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.781 4.041 14.532 1.00 0.00 H new ATOM 0 H4' DT A 7 1.202 3.330 15.584 1.00 0.00 H new ATOM 0 H3' DT A 7 0.429 6.064 15.810 1.00 0.00 H new ATOM 0 H2' DT A 7 2.434 7.113 15.209 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.126 6.391 16.648 1.00 0.00 H new ATOM 0 H1' DT A 7 4.173 4.748 15.486 1.00 0.00 H new ATOM 0 H3 DT A 7 7.146 6.502 12.584 1.00 0.00 H new ATOM 0 H71 DT A 7 2.212 7.117 10.464 1.00 0.00 H new ATOM 0 H72 DT A 7 2.974 8.700 10.750 1.00 0.00 H new ATOM 0 H73 DT A 7 3.687 7.567 9.577 1.00 0.00 H new ATOM 0 H6 DT A 7 2.325 6.471 12.759 1.00 0.00 H new ATOM 220 P DG A 8 -0.223 4.417 17.918 1.00 0.00 P ATOM 221 OP1 DG A 8 -1.342 4.801 17.023 1.00 0.00 O ATOM 222 OP2 DG A 8 -0.297 4.753 19.356 1.00 0.00 O ATOM 223 O5' DG A 8 -0.023 2.826 17.780 1.00 0.00 O ATOM 224 C5' DG A 8 0.986 2.143 18.497 1.00 0.00 C ATOM 225 C4' DG A 8 0.882 0.647 18.198 1.00 0.00 C ATOM 226 O4' DG A 8 0.887 0.409 16.800 1.00 0.00 O ATOM 227 C3' DG A 8 2.030 -0.159 18.815 1.00 0.00 C ATOM 228 O3' DG A 8 1.677 -0.727 20.059 1.00 0.00 O ATOM 229 C2' DG A 8 2.246 -1.241 17.763 1.00 0.00 C ATOM 230 C1' DG A 8 1.924 -0.493 16.468 1.00 0.00 C ATOM 231 N9 DG A 8 3.068 0.248 15.880 1.00 0.00 N ATOM 232 C8 DG A 8 4.331 0.475 16.373 1.00 0.00 C ATOM 233 N7 DG A 8 5.114 1.128 15.561 1.00 0.00 N ATOM 234 C5 DG A 8 4.317 1.367 14.446 1.00 0.00 C ATOM 235 C6 DG A 8 4.620 2.036 13.216 1.00 0.00 C ATOM 236 O6 DG A 8 5.676 2.558 12.871 1.00 0.00 O ATOM 237 N1 DG A 8 3.535 2.063 12.342 1.00 0.00 N ATOM 238 C2 DG A 8 2.293 1.530 12.627 1.00 0.00 C ATOM 239 N2 DG A 8 1.350 1.668 11.696 1.00 0.00 N ATOM 240 N3 DG A 8 2.004 0.895 13.776 1.00 0.00 N ATOM 241 C4 DG A 8 3.059 0.844 14.641 1.00 0.00 C ATOM 0 H5' DG A 8 0.875 2.322 19.566 1.00 0.00 H new ATOM 0 H5'' DG A 8 1.969 2.517 18.212 1.00 0.00 H new ATOM 0 H4' DG A 8 -0.058 0.321 18.642 1.00 0.00 H new ATOM 0 H3' DG A 8 2.912 0.444 19.033 1.00 0.00 H new ATOM 0 H2' DG A 8 3.268 -1.621 17.772 1.00 0.00 H new ATOM 0 H2'' DG A 8 1.587 -2.096 17.915 1.00 0.00 H new ATOM 0 HO3' DG A 8 2.437 -1.233 20.415 1.00 0.00 H new ATOM 0 H1' DG A 8 1.647 -1.217 15.702 1.00 0.00 H new ATOM 0 H8 DG A 8 4.648 0.141 17.350 1.00 0.00 H new ATOM 0 H1 DG A 8 3.667 2.505 11.432 1.00 0.00 H new ATOM 0 H21 DG A 8 0.416 1.292 11.857 1.00 0.00 H new ATOM 0 H22 DG A 8 1.563 2.149 10.822 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 0.858 4.003 -1.751 1.00 0.00 NA HETATM 256 NA NA A 102 -1.973 7.160 16.517 1.00 0.00 NA HETATM 257 NA NA A 103 -4.853 -7.686 13.926 1.00 0.00 NA HETATM 258 NA NA A 104 -2.860 3.360 15.092 1.00 0.00 NA HETATM 259 NA NA A 105 -1.099 1.622 6.582 1.00 0.00 NA HETATM 260 NA NA A 106 -2.476 -3.927 2.924 1.00 0.00 NA HETATM 261 NA NA A 107 -3.203 6.336 3.719 1.00 0.00 NA