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= -0.283 (180deg=-0.669) 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 -1.426 -5.202 17.546 1.00 0.00 O ATOM 2 C5' DC A 1 -0.424 -4.380 16.986 1.00 0.00 C ATOM 3 C4' DC A 1 -0.904 -3.772 15.663 1.00 0.00 C ATOM 4 O4' DC A 1 0.060 -2.841 15.204 1.00 0.00 O ATOM 5 C3' DC A 1 -1.115 -4.817 14.553 1.00 0.00 C ATOM 6 O3' DC A 1 -2.397 -4.622 13.972 1.00 0.00 O ATOM 7 C2' DC A 1 0.015 -4.507 13.571 1.00 0.00 C ATOM 8 C1' DC A 1 0.205 -3.013 13.811 1.00 0.00 C ATOM 9 N1 DC A 1 1.517 -2.500 13.326 1.00 0.00 N ATOM 10 C2 DC A 1 1.544 -1.710 12.170 1.00 0.00 C ATOM 11 O2 DC A 1 0.506 -1.378 11.600 1.00 0.00 O ATOM 12 N3 DC A 1 2.749 -1.308 11.675 1.00 0.00 N ATOM 13 C4 DC A 1 3.896 -1.647 12.281 1.00 0.00 C ATOM 14 N4 DC A 1 5.046 -1.213 11.758 1.00 0.00 N ATOM 15 C5 DC A 1 3.896 -2.460 13.467 1.00 0.00 C ATOM 16 C6 DC A 1 2.692 -2.867 13.943 1.00 0.00 C ATOM 0 H5' DC A 1 0.481 -4.964 16.817 1.00 0.00 H new ATOM 0 H5'' DC A 1 -0.165 -3.585 17.685 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.866 -3.302 15.868 1.00 0.00 H new ATOM 0 H3' DC A 1 -1.089 -5.854 14.889 1.00 0.00 H new ATOM 0 H2' DC A 1 0.918 -5.078 13.787 1.00 0.00 H new ATOM 0 H2'' DC A 1 -0.262 -4.727 12.540 1.00 0.00 H new ATOM 0 HO5' DC A 1 -1.103 -5.583 18.389 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.528 -2.437 13.245 1.00 0.00 H new ATOM 0 H41 DC A 1 5.932 -1.457 12.201 1.00 0.00 H new ATOM 0 H42 DC A 1 5.038 -0.637 10.916 1.00 0.00 H new ATOM 0 H5 DC A 1 4.817 -2.736 13.959 1.00 0.00 H new ATOM 0 H6 DC A 1 2.655 -3.491 14.823 1.00 0.00 H new ATOM 29 P DT A 2 -3.091 -5.695 12.975 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.544 -5.678 13.257 1.00 0.00 O ATOM 31 OP2 DT A 2 -2.345 -6.971 13.038 1.00 0.00 O ATOM 32 O5' DT A 2 -2.861 -5.047 11.517 1.00 0.00 O ATOM 33 C5' DT A 2 -3.590 -5.491 10.383 1.00 0.00 C ATOM 34 C4' DT A 2 -3.311 -4.605 9.159 1.00 0.00 C ATOM 35 O4' DT A 2 -3.784 -3.290 9.434 1.00 0.00 O ATOM 36 C3' DT A 2 -1.811 -4.538 8.825 1.00 0.00 C ATOM 37 O3' DT A 2 -1.478 -4.798 7.454 1.00 0.00 O ATOM 38 C2' DT A 2 -1.411 -3.165 9.366 1.00 0.00 C ATOM 39 C1' DT A 2 -2.713 -2.366 9.351 1.00 0.00 C ATOM 40 N1 DT A 2 -2.742 -1.339 10.426 1.00 0.00 N ATOM 41 C2 DT A 2 -2.333 -0.043 10.098 1.00 0.00 C ATOM 42 O2 DT A 2 -2.178 0.350 8.942 1.00 0.00 O ATOM 43 N3 DT A 2 -2.100 0.815 11.163 1.00 0.00 N ATOM 44 C4 DT A 2 -2.283 0.513 12.507 1.00 0.00 C ATOM 45 O4 DT A 2 -1.991 1.340 13.367 1.00 0.00 O ATOM 46 C5 DT A 2 -2.830 -0.811 12.755 1.00 0.00 C ATOM 47 C7 DT A 2 -3.171 -1.216 14.175 1.00 0.00 C ATOM 48 C6 DT A 2 -3.026 -1.682 11.732 1.00 0.00 C ATOM 0 H5' DT A 2 -4.657 -5.481 10.607 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.322 -6.523 10.157 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.824 -5.039 8.300 1.00 0.00 H new ATOM 0 H3' DT A 2 -1.236 -5.342 9.284 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.999 -3.238 10.373 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.649 -2.697 8.743 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.803 -1.799 8.425 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.764 1.752 10.939 1.00 0.00 H new ATOM 0 H71 DT A 2 -2.506 -0.703 14.869 1.00 0.00 H new ATOM 0 H72 DT A 2 -4.204 -0.944 14.393 1.00 0.00 H new ATOM 0 H73 DT A 2 -3.049 -2.294 14.285 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.414 -2.667 11.946 1.00 0.00 H new ATOM 61 P DT A 3 -2.114 -4.105 6.114 1.00 0.00 P ATOM 62 OP1 DT A 3 -3.038 -3.005 6.454 1.00 0.00 O ATOM 63 OP2 DT A 3 -2.584 -5.196 5.231 1.00 0.00 O ATOM 64 O5' DT A 3 -0.823 -3.459 5.392 1.00 0.00 O ATOM 65 C5' DT A 3 0.055 -2.604 6.093 1.00 0.00 C ATOM 66 C4' DT A 3 1.226 -2.119 5.233 1.00 0.00 C ATOM 67 O4' DT A 3 2.237 -1.653 6.117 1.00 0.00 O ATOM 68 C3' DT A 3 1.883 -3.202 4.365 1.00 0.00 C ATOM 69 O3' DT A 3 2.409 -2.666 3.158 1.00 0.00 O ATOM 70 C2' DT A 3 2.998 -3.737 5.249 1.00 0.00 C ATOM 71 C1' DT A 3 3.367 -2.511 6.084 1.00 0.00 C ATOM 72 N1 DT A 3 3.853 -2.880 7.449 1.00 0.00 N ATOM 73 C2 DT A 3 5.211 -2.697 7.740 1.00 0.00 C ATOM 74 O2 DT A 3 5.994 -2.128 6.982 1.00 0.00 O ATOM 75 N3 DT A 3 5.662 -3.213 8.950 1.00 0.00 N ATOM 76 C4 DT A 3 4.896 -3.917 9.874 1.00 0.00 C ATOM 77 O4 DT A 3 5.421 -4.352 10.897 1.00 0.00 O ATOM 78 C5 DT A 3 3.496 -4.062 9.505 1.00 0.00 C ATOM 79 C7 DT A 3 2.543 -4.805 10.426 1.00 0.00 C ATOM 80 C6 DT A 3 3.032 -3.548 8.337 1.00 0.00 C ATOM 0 H5' DT A 3 0.444 -3.128 6.966 1.00 0.00 H new ATOM 0 H5'' DT A 3 -0.501 -1.742 6.460 1.00 0.00 H new ATOM 0 H4' DT A 3 0.819 -1.364 4.561 1.00 0.00 H new ATOM 0 H3' DT A 3 1.174 -3.969 4.053 1.00 0.00 H new ATOM 0 H2' DT A 3 2.662 -4.567 5.871 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.843 -4.100 4.664 1.00 0.00 H new ATOM 0 H1' DT A 3 4.206 -1.988 5.625 1.00 0.00 H new ATOM 0 H3 DT A 3 6.644 -3.062 9.181 1.00 0.00 H new ATOM 0 H71 DT A 3 1.539 -4.395 10.318 1.00 0.00 H new ATOM 0 H72 DT A 3 2.533 -5.863 10.163 1.00 0.00 H new ATOM 0 H73 DT A 3 2.872 -4.691 11.459 1.00 0.00 H new ATOM 0 H6 DT A 3 1.986 -3.665 8.094 1.00 0.00 H new ATOM 93 P DG A 4 1.486 -2.442 1.844 1.00 0.00 P ATOM 94 OP1 DG A 4 0.462 -3.510 1.799 1.00 0.00 O ATOM 95 OP2 DG A 4 2.400 -2.257 0.695 1.00 0.00 O ATOM 96 O5' DG A 4 0.732 -1.041 2.131 1.00 0.00 O ATOM 97 C5' DG A 4 1.292 0.210 1.768 1.00 0.00 C ATOM 98 C4' DG A 4 0.814 1.293 2.739 1.00 0.00 C ATOM 99 O4' DG A 4 1.399 1.050 4.008 1.00 0.00 O ATOM 100 C3' DG A 4 1.256 2.696 2.297 1.00 0.00 C ATOM 101 O3' DG A 4 0.185 3.607 2.508 1.00 0.00 O ATOM 102 C2' DG A 4 2.441 2.977 3.217 1.00 0.00 C ATOM 103 C1' DG A 4 2.003 2.237 4.477 1.00 0.00 C ATOM 104 N9 DG A 4 3.093 1.914 5.430 1.00 0.00 N ATOM 105 C8 DG A 4 4.458 1.996 5.285 1.00 0.00 C ATOM 106 N7 DG A 4 5.133 1.542 6.305 1.00 0.00 N ATOM 107 C5 DG A 4 4.154 1.125 7.201 1.00 0.00 C ATOM 108 C6 DG A 4 4.271 0.526 8.501 1.00 0.00 C ATOM 109 O6 DG A 4 5.287 0.256 9.137 1.00 0.00 O ATOM 110 N1 DG A 4 3.033 0.232 9.062 1.00 0.00 N ATOM 111 C2 DG A 4 1.822 0.504 8.457 1.00 0.00 C ATOM 112 N2 DG A 4 0.730 0.127 9.111 1.00 0.00 N ATOM 113 N3 DG A 4 1.701 1.096 7.260 1.00 0.00 N ATOM 114 C4 DG A 4 2.904 1.369 6.677 1.00 0.00 C ATOM 0 H5' DG A 4 1.001 0.467 0.750 1.00 0.00 H new ATOM 0 H5'' DG A 4 2.380 0.150 1.783 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.275 1.256 2.768 1.00 0.00 H new ATOM 0 H3' DG A 4 1.524 2.786 1.244 1.00 0.00 H new ATOM 0 H2' DG A 4 3.378 2.591 2.815 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.585 4.043 3.392 1.00 0.00 H new ATOM 0 H1' DG A 4 1.338 2.879 5.054 1.00 0.00 H new ATOM 0 H8 DG A 4 4.931 2.401 4.403 1.00 0.00 H new ATOM 0 H1 DG A 4 3.019 -0.213 9.980 1.00 0.00 H new ATOM 0 H21 DG A 4 -0.191 0.303 8.710 1.00 0.00 H new ATOM 0 H22 DG A 4 0.812 -0.339 10.015 1.00 0.00 H new ATOM 126 P DC A 5 0.133 5.070 1.815 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.290 5.462 1.696 1.00 0.00 O ATOM 128 OP2 DC A 5 0.962 5.049 0.590 1.00 0.00 O ATOM 129 O5' DC A 5 0.852 6.052 2.881 1.00 0.00 O ATOM 130 C5' DC A 5 0.152 6.683 3.942 1.00 0.00 C ATOM 131 C4' DC A 5 -0.044 5.734 5.128 1.00 0.00 C ATOM 132 O4' DC A 5 1.194 5.210 5.567 1.00 0.00 O ATOM 133 C3' DC A 5 -0.666 6.446 6.341 1.00 0.00 C ATOM 134 O3' DC A 5 -2.062 6.151 6.441 1.00 0.00 O ATOM 135 C2' DC A 5 0.264 6.035 7.493 1.00 0.00 C ATOM 136 C1' DC A 5 1.023 4.846 6.919 1.00 0.00 C ATOM 137 N1 DC A 5 2.291 4.615 7.658 1.00 0.00 N ATOM 138 C2 DC A 5 2.223 3.968 8.899 1.00 0.00 C ATOM 139 O2 DC A 5 1.145 3.678 9.414 1.00 0.00 O ATOM 140 N3 DC A 5 3.383 3.653 9.542 1.00 0.00 N ATOM 141 C4 DC A 5 4.572 3.957 9.005 1.00 0.00 C ATOM 142 N4 DC A 5 5.679 3.570 9.640 1.00 0.00 N ATOM 143 C5 DC A 5 4.663 4.664 7.758 1.00 0.00 C ATOM 144 C6 DC A 5 3.507 4.962 7.119 1.00 0.00 C ATOM 0 H5' DC A 5 -0.819 7.026 3.585 1.00 0.00 H new ATOM 0 H5'' DC A 5 0.702 7.566 4.268 1.00 0.00 H new ATOM 0 H4' DC A 5 -0.706 4.946 4.769 1.00 0.00 H new ATOM 0 H3' DC A 5 -0.705 7.535 6.305 1.00 0.00 H new ATOM 0 H2' DC A 5 0.937 6.844 7.775 1.00 0.00 H new ATOM 0 H2'' DC A 5 -0.298 5.761 8.386 1.00 0.00 H new ATOM 0 H1' DC A 5 0.507 3.890 7.010 1.00 0.00 H new ATOM 0 H41 DC A 5 6.595 3.791 9.249 1.00 0.00 H new ATOM 0 H42 DC A 5 5.610 3.053 10.517 1.00 0.00 H new ATOM 0 H5 DC A 5 5.620 4.948 7.345 1.00 0.00 H new ATOM 0 H6 DC A 5 3.541 5.480 6.172 1.00 0.00 H new ATOM 156 P DA A 6 -2.738 4.850 7.145 1.00 0.00 P ATOM 157 OP1 DA A 6 -1.902 3.654 6.899 1.00 0.00 O ATOM 158 OP2 DA A 6 -4.163 4.807 6.752 1.00 0.00 O ATOM 159 O5' DA A 6 -2.685 5.176 8.724 1.00 0.00 O ATOM 160 C5' DA A 6 -3.314 6.316 9.284 1.00 0.00 C ATOM 161 C4' DA A 6 -3.558 6.153 10.795 1.00 0.00 C ATOM 162 O4' DA A 6 -4.638 5.256 11.014 1.00 0.00 O ATOM 163 C3' DA A 6 -2.336 5.599 11.538 1.00 0.00 C ATOM 164 O3' DA A 6 -2.260 6.124 12.853 1.00 0.00 O ATOM 165 C2' DA A 6 -2.635 4.106 11.587 1.00 0.00 C ATOM 166 C1' DA A 6 -4.163 4.072 11.630 1.00 0.00 C ATOM 167 N9 DA A 6 -4.733 2.881 10.957 1.00 0.00 N ATOM 168 C8 DA A 6 -4.625 2.510 9.639 1.00 0.00 C ATOM 169 N7 DA A 6 -5.168 1.360 9.352 1.00 0.00 N ATOM 170 C5 DA A 6 -5.666 0.919 10.576 1.00 0.00 C ATOM 171 C6 DA A 6 -6.338 -0.258 10.985 1.00 0.00 C ATOM 172 N6 DA A 6 -6.636 -1.264 10.155 1.00 0.00 N ATOM 173 N1 DA A 6 -6.693 -0.386 12.279 1.00 0.00 N ATOM 174 C2 DA A 6 -6.392 0.597 13.126 1.00 0.00 C ATOM 175 N3 DA A 6 -5.755 1.741 12.878 1.00 0.00 N ATOM 176 C4 DA A 6 -5.413 1.847 11.562 1.00 0.00 C ATOM 0 H5' DA A 6 -4.264 6.491 8.780 1.00 0.00 H new ATOM 0 H5'' DA A 6 -2.694 7.195 9.109 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.777 7.149 11.180 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.389 5.849 11.059 1.00 0.00 H new ATOM 0 H2' DA A 6 -2.243 3.585 10.714 1.00 0.00 H new ATOM 0 H2'' DA A 6 -2.194 3.633 12.465 1.00 0.00 H new ATOM 0 H1' DA A 6 -4.480 4.010 12.671 1.00 0.00 H new ATOM 0 H8 DA A 6 -4.130 3.122 8.900 1.00 0.00 H new ATOM 0 H61 DA A 6 -7.122 -2.089 10.507 1.00 0.00 H new ATOM 0 H62 DA A 6 -6.377 -1.206 9.170 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.706 0.447 14.149 1.00 0.00 H new ATOM 188 P DT A 7 -0.847 6.318 13.613 1.00 0.00 P ATOM 189 OP1 DT A 7 -1.138 6.853 14.961 1.00 0.00 O ATOM 190 OP2 DT A 7 0.072 7.048 12.713 1.00 0.00 O ATOM 191 O5' DT A 7 -0.286 4.803 13.737 1.00 0.00 O ATOM 192 C5' DT A 7 0.108 4.179 14.950 1.00 0.00 C ATOM 193 C4' DT A 7 1.598 4.394 15.270 1.00 0.00 C ATOM 194 O4' DT A 7 2.387 4.417 14.088 1.00 0.00 O ATOM 195 C3' DT A 7 1.898 5.711 16.005 1.00 0.00 C ATOM 196 O3' DT A 7 2.310 5.494 17.347 1.00 0.00 O ATOM 197 C2' DT A 7 3.034 6.356 15.218 1.00 0.00 C ATOM 198 C1' DT A 7 3.535 5.196 14.360 1.00 0.00 C ATOM 199 N1 DT A 7 4.214 5.646 13.110 1.00 0.00 N ATOM 200 C2 DT A 7 5.580 5.386 12.958 1.00 0.00 C ATOM 201 O2 DT A 7 6.247 4.761 13.782 1.00 0.00 O ATOM 202 N3 DT A 7 6.182 5.891 11.811 1.00 0.00 N ATOM 203 C4 DT A 7 5.551 6.626 10.813 1.00 0.00 C ATOM 204 O4 DT A 7 6.190 7.002 9.834 1.00 0.00 O ATOM 205 C5 DT A 7 4.136 6.875 11.057 1.00 0.00 C ATOM 206 C7 DT A 7 3.327 7.675 10.052 1.00 0.00 C ATOM 207 C6 DT A 7 3.534 6.400 12.178 1.00 0.00 C ATOM 0 H5' DT A 7 -0.096 3.110 14.887 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.496 4.571 15.769 1.00 0.00 H new ATOM 0 H4' DT A 7 1.848 3.552 15.915 1.00 0.00 H new ATOM 0 H3' DT A 7 1.005 6.334 16.057 1.00 0.00 H new ATOM 0 H2' DT A 7 2.685 7.190 14.610 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.814 6.744 15.873 1.00 0.00 H new ATOM 0 H1' DT A 7 4.301 4.625 14.884 1.00 0.00 H new ATOM 0 H3 DT A 7 7.178 5.705 11.690 1.00 0.00 H new ATOM 0 H71 DT A 7 2.290 7.340 10.071 1.00 0.00 H new ATOM 0 H72 DT A 7 3.372 8.733 10.309 1.00 0.00 H new ATOM 0 H73 DT A 7 3.738 7.527 9.053 1.00 0.00 H new ATOM 0 H6 DT A 7 2.490 6.620 12.344 1.00 0.00 H new ATOM 220 P DG A 8 1.256 5.160 18.532 1.00 0.00 P ATOM 221 OP1 DG A 8 0.007 5.912 18.276 1.00 0.00 O ATOM 222 OP2 DG A 8 1.967 5.347 19.816 1.00 0.00 O ATOM 223 O5' DG A 8 0.945 3.588 18.346 1.00 0.00 O ATOM 224 C5' DG A 8 1.903 2.598 18.671 1.00 0.00 C ATOM 225 C4' DG A 8 1.312 1.209 18.415 1.00 0.00 C ATOM 226 O4' DG A 8 0.976 1.028 17.047 1.00 0.00 O ATOM 227 C3' DG A 8 2.281 0.087 18.806 1.00 0.00 C ATOM 228 O3' DG A 8 2.004 -0.434 20.090 1.00 0.00 O ATOM 229 C2' DG A 8 2.033 -0.958 17.724 1.00 0.00 C ATOM 230 C1' DG A 8 1.668 -0.091 16.520 1.00 0.00 C ATOM 231 N9 DG A 8 2.833 0.379 15.725 1.00 0.00 N ATOM 232 C8 DG A 8 4.179 0.354 16.003 1.00 0.00 C ATOM 233 N7 DG A 8 4.931 0.854 15.062 1.00 0.00 N ATOM 234 C5 DG A 8 4.026 1.237 14.076 1.00 0.00 C ATOM 235 C6 DG A 8 4.249 1.822 12.787 1.00 0.00 C ATOM 236 O6 DG A 8 5.314 2.130 12.259 1.00 0.00 O ATOM 237 N1 DG A 8 3.064 2.024 12.081 1.00 0.00 N ATOM 238 C2 DG A 8 1.809 1.714 12.571 1.00 0.00 C ATOM 239 N2 DG A 8 0.766 1.979 11.789 1.00 0.00 N ATOM 240 N3 DG A 8 1.595 1.168 13.778 1.00 0.00 N ATOM 241 C4 DG A 8 2.742 0.949 14.479 1.00 0.00 C ATOM 0 H5' DG A 8 2.198 2.692 19.716 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.803 2.738 18.072 1.00 0.00 H new ATOM 0 H4' DG A 8 0.417 1.154 19.035 1.00 0.00 H new ATOM 0 H3' DG A 8 3.316 0.424 18.865 1.00 0.00 H new ATOM 0 H2' DG A 8 2.917 -1.567 17.535 1.00 0.00 H new ATOM 0 H2'' DG A 8 1.227 -1.641 17.994 1.00 0.00 H new ATOM 0 HO3' DG A 8 2.643 -1.147 20.299 1.00 0.00 H new ATOM 0 H1' DG A 8 1.075 -0.688 15.827 1.00 0.00 H new ATOM 0 H8 DG A 8 4.580 -0.046 16.923 1.00 0.00 H new ATOM 0 H1 DG A 8 3.127 2.425 11.145 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.179 1.767 12.110 1.00 0.00 H new ATOM 0 H22 DG A 8 0.911 2.394 10.869 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 -3.362 1.583 6.943 1.00 0.00 NA HETATM 256 NA NA A 102 -1.950 7.047 17.279 1.00 0.00 NA HETATM 257 NA NA A 103 4.515 -1.589 1.899 1.00 0.00 NA HETATM 258 NA NA A 104 4.225 6.206 19.215 1.00 0.00 NA HETATM 259 NA NA A 105 -0.945 6.164 -0.763 1.00 0.00 NA HETATM 260 NA NA A 106 1.128 4.775 11.674 1.00 0.00 NA HETATM 261 NA NA A 107 -1.280 -4.756 3.085 1.00 0.00 NA