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=-0.128) 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 -0.607 -5.835 17.647 1.00 0.00 O ATOM 2 C5' DC A 1 0.226 -4.813 17.137 1.00 0.00 C ATOM 3 C4' DC A 1 -0.416 -4.138 15.920 1.00 0.00 C ATOM 4 O4' DC A 1 0.432 -3.089 15.480 1.00 0.00 O ATOM 5 C3' DC A 1 -0.629 -5.098 14.739 1.00 0.00 C ATOM 6 O3' DC A 1 -1.954 -4.936 14.254 1.00 0.00 O ATOM 7 C2' DC A 1 0.416 -4.634 13.727 1.00 0.00 C ATOM 8 C1' DC A 1 0.520 -3.152 14.072 1.00 0.00 C ATOM 9 N1 DC A 1 1.774 -2.537 13.550 1.00 0.00 N ATOM 10 C2 DC A 1 1.709 -1.805 12.359 1.00 0.00 C ATOM 11 O2 DC A 1 0.636 -1.614 11.793 1.00 0.00 O ATOM 12 N3 DC A 1 2.862 -1.301 11.831 1.00 0.00 N ATOM 13 C4 DC A 1 4.044 -1.490 12.433 1.00 0.00 C ATOM 14 N4 DC A 1 5.137 -0.957 11.875 1.00 0.00 N ATOM 15 C5 DC A 1 4.139 -2.243 13.655 1.00 0.00 C ATOM 16 C6 DC A 1 2.988 -2.748 14.168 1.00 0.00 C ATOM 0 H5' DC A 1 1.192 -5.232 16.857 1.00 0.00 H new ATOM 0 H5'' DC A 1 0.413 -4.070 17.913 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.394 -3.775 16.237 1.00 0.00 H new ATOM 0 H3' DC A 1 -0.517 -6.156 14.978 1.00 0.00 H new ATOM 0 H2' DC A 1 1.367 -5.153 13.849 1.00 0.00 H new ATOM 0 H2'' DC A 1 0.094 -4.796 12.698 1.00 0.00 H new ATOM 0 HO5' DC A 1 -0.176 -6.252 18.422 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.276 -2.575 13.601 1.00 0.00 H new ATOM 0 H41 DC A 1 6.049 -1.087 12.314 1.00 0.00 H new ATOM 0 H42 DC A 1 5.059 -0.421 11.011 1.00 0.00 H new ATOM 0 H5 DC A 1 5.088 -2.400 14.145 1.00 0.00 H new ATOM 0 H6 DC A 1 3.024 -3.327 15.079 1.00 0.00 H new ATOM 29 P DT A 2 -2.674 -6.007 13.277 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.102 -6.065 13.656 1.00 0.00 O ATOM 31 OP2 DT A 2 -1.889 -7.262 13.256 1.00 0.00 O ATOM 32 O5' DT A 2 -2.569 -5.323 11.824 1.00 0.00 O ATOM 33 C5' DT A 2 -3.322 -5.804 10.724 1.00 0.00 C ATOM 34 C4' DT A 2 -3.055 -4.984 9.452 1.00 0.00 C ATOM 35 O4' DT A 2 -3.504 -3.650 9.659 1.00 0.00 O ATOM 36 C3' DT A 2 -1.562 -4.926 9.081 1.00 0.00 C ATOM 37 O3' DT A 2 -1.248 -5.083 7.691 1.00 0.00 O ATOM 38 C2' DT A 2 -1.138 -3.585 9.661 1.00 0.00 C ATOM 39 C1' DT A 2 -2.412 -2.759 9.509 1.00 0.00 C ATOM 40 N1 DT A 2 -2.448 -1.643 10.489 1.00 0.00 N ATOM 41 C2 DT A 2 -2.066 -0.374 10.045 1.00 0.00 C ATOM 42 O2 DT A 2 -1.846 -0.105 8.864 1.00 0.00 O ATOM 43 N3 DT A 2 -1.929 0.604 11.018 1.00 0.00 N ATOM 44 C4 DT A 2 -2.143 0.436 12.381 1.00 0.00 C ATOM 45 O4 DT A 2 -1.981 1.387 13.142 1.00 0.00 O ATOM 46 C5 DT A 2 -2.555 -0.907 12.762 1.00 0.00 C ATOM 47 C7 DT A 2 -2.832 -1.224 14.220 1.00 0.00 C ATOM 48 C6 DT A 2 -2.687 -1.882 11.826 1.00 0.00 C ATOM 0 H5' DT A 2 -4.384 -5.766 10.965 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.074 -6.850 10.542 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.589 -5.475 8.638 1.00 0.00 H new ATOM 0 H3' DT A 2 -1.014 -5.778 9.484 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.828 -3.670 10.703 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.301 -3.150 9.114 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.458 -2.284 8.529 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.645 1.532 10.705 1.00 0.00 H new ATOM 0 H71 DT A 2 -2.209 -0.593 14.854 1.00 0.00 H new ATOM 0 H72 DT A 2 -3.883 -1.035 14.440 1.00 0.00 H new ATOM 0 H73 DT A 2 -2.604 -2.272 14.414 1.00 0.00 H new ATOM 0 H6 DT A 2 -2.987 -2.872 12.137 1.00 0.00 H new ATOM 61 P DT A 3 -1.912 -4.318 6.400 1.00 0.00 P ATOM 62 OP1 DT A 3 -3.365 -4.144 6.608 1.00 0.00 O ATOM 63 OP2 DT A 3 -1.472 -5.063 5.203 1.00 0.00 O ATOM 64 O5' DT A 3 -1.288 -2.822 6.282 1.00 0.00 O ATOM 65 C5' DT A 3 0.078 -2.524 6.506 1.00 0.00 C ATOM 66 C4' DT A 3 0.877 -2.126 5.257 1.00 0.00 C ATOM 67 O4' DT A 3 2.163 -1.711 5.685 1.00 0.00 O ATOM 68 C3' DT A 3 1.158 -3.239 4.244 1.00 0.00 C ATOM 69 O3' DT A 3 1.470 -2.732 2.951 1.00 0.00 O ATOM 70 C2' DT A 3 2.376 -3.936 4.838 1.00 0.00 C ATOM 71 C1' DT A 3 3.083 -2.789 5.581 1.00 0.00 C ATOM 72 N1 DT A 3 3.679 -3.107 6.920 1.00 0.00 N ATOM 73 C2 DT A 3 4.893 -2.486 7.247 1.00 0.00 C ATOM 74 O2 DT A 3 5.497 -1.737 6.481 1.00 0.00 O ATOM 75 N3 DT A 3 5.413 -2.750 8.509 1.00 0.00 N ATOM 76 C4 DT A 3 4.841 -3.572 9.471 1.00 0.00 C ATOM 77 O4 DT A 3 5.410 -3.747 10.546 1.00 0.00 O ATOM 78 C5 DT A 3 3.576 -4.168 9.072 1.00 0.00 C ATOM 79 C7 DT A 3 2.824 -5.059 10.044 1.00 0.00 C ATOM 80 C6 DT A 3 3.058 -3.935 7.838 1.00 0.00 C ATOM 0 H5' DT A 3 0.553 -3.394 6.959 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.142 -1.713 7.231 1.00 0.00 H new ATOM 0 H4' DT A 3 0.259 -1.375 4.765 1.00 0.00 H new ATOM 0 H3' DT A 3 0.294 -3.887 4.096 1.00 0.00 H new ATOM 0 H2' DT A 3 2.093 -4.744 5.513 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.011 -4.373 4.067 1.00 0.00 H new ATOM 0 H1' DT A 3 3.961 -2.543 4.983 1.00 0.00 H new ATOM 0 H3 DT A 3 6.295 -2.299 8.750 1.00 0.00 H new ATOM 0 H71 DT A 3 1.754 -4.984 9.852 1.00 0.00 H new ATOM 0 H72 DT A 3 3.145 -6.092 9.913 1.00 0.00 H new ATOM 0 H73 DT A 3 3.033 -4.741 11.065 1.00 0.00 H new ATOM 0 H6 DT A 3 2.129 -4.413 7.564 1.00 0.00 H new ATOM 93 P DG A 4 0.327 -2.293 1.892 1.00 0.00 P ATOM 94 OP1 DG A 4 -0.833 -3.199 2.036 1.00 0.00 O ATOM 95 OP2 DG A 4 0.959 -2.132 0.564 1.00 0.00 O ATOM 96 O5' DG A 4 -0.131 -0.834 2.406 1.00 0.00 O ATOM 97 C5' DG A 4 0.597 0.338 2.090 1.00 0.00 C ATOM 98 C4' DG A 4 0.406 1.370 3.205 1.00 0.00 C ATOM 99 O4' DG A 4 1.227 1.034 4.316 1.00 0.00 O ATOM 100 C3' DG A 4 0.828 2.776 2.756 1.00 0.00 C ATOM 101 O3' DG A 4 -0.144 3.699 3.238 1.00 0.00 O ATOM 102 C2' DG A 4 2.175 2.942 3.458 1.00 0.00 C ATOM 103 C1' DG A 4 1.878 2.207 4.761 1.00 0.00 C ATOM 104 N9 DG A 4 3.057 1.904 5.615 1.00 0.00 N ATOM 105 C8 DG A 4 4.400 2.109 5.404 1.00 0.00 C ATOM 106 N7 DG A 4 5.162 1.724 6.393 1.00 0.00 N ATOM 107 C5 DG A 4 4.272 1.205 7.330 1.00 0.00 C ATOM 108 C6 DG A 4 4.498 0.609 8.619 1.00 0.00 C ATOM 109 O6 DG A 4 5.553 0.427 9.226 1.00 0.00 O ATOM 110 N1 DG A 4 3.316 0.183 9.218 1.00 0.00 N ATOM 111 C2 DG A 4 2.066 0.323 8.653 1.00 0.00 C ATOM 112 N2 DG A 4 1.046 -0.186 9.330 1.00 0.00 N ATOM 113 N3 DG A 4 1.841 0.910 7.472 1.00 0.00 N ATOM 114 C4 DG A 4 2.983 1.318 6.854 1.00 0.00 C ATOM 0 H5' DG A 4 0.256 0.746 1.139 1.00 0.00 H new ATOM 0 H5'' DG A 4 1.655 0.102 1.974 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.653 1.364 3.464 1.00 0.00 H new ATOM 0 H3' DG A 4 0.903 2.933 1.680 1.00 0.00 H new ATOM 0 H2' DG A 4 2.995 2.490 2.901 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.437 3.988 3.618 1.00 0.00 H new ATOM 0 H1' DG A 4 1.284 2.829 5.431 1.00 0.00 H new ATOM 0 H8 DG A 4 4.791 2.550 4.499 1.00 0.00 H new ATOM 0 H1 DG A 4 3.379 -0.261 10.134 1.00 0.00 H new ATOM 0 H21 DG A 4 0.099 -0.111 8.959 1.00 0.00 H new ATOM 0 H22 DG A 4 1.208 -0.653 10.222 1.00 0.00 H new ATOM 126 P DC A 5 -0.742 4.923 2.351 1.00 0.00 P ATOM 127 OP1 DC A 5 -2.210 4.752 2.289 1.00 0.00 O ATOM 128 OP2 DC A 5 0.041 5.063 1.104 1.00 0.00 O ATOM 129 O5' DC A 5 -0.465 6.226 3.270 1.00 0.00 O ATOM 130 C5' DC A 5 0.793 6.442 3.876 1.00 0.00 C ATOM 131 C4' DC A 5 0.700 5.900 5.307 1.00 0.00 C ATOM 132 O4' DC A 5 1.905 5.363 5.793 1.00 0.00 O ATOM 133 C3' DC A 5 0.242 6.929 6.343 1.00 0.00 C ATOM 134 O3' DC A 5 -1.151 6.782 6.563 1.00 0.00 O ATOM 135 C2' DC A 5 1.084 6.559 7.570 1.00 0.00 C ATOM 136 C1' DC A 5 1.673 5.205 7.174 1.00 0.00 C ATOM 137 N1 DC A 5 2.890 4.846 7.947 1.00 0.00 N ATOM 138 C2 DC A 5 2.721 4.191 9.173 1.00 0.00 C ATOM 139 O2 DC A 5 1.600 3.988 9.638 1.00 0.00 O ATOM 140 N3 DC A 5 3.827 3.769 9.848 1.00 0.00 N ATOM 141 C4 DC A 5 5.057 3.982 9.364 1.00 0.00 C ATOM 142 N4 DC A 5 6.099 3.529 10.063 1.00 0.00 N ATOM 143 C5 DC A 5 5.256 4.677 8.122 1.00 0.00 C ATOM 144 C6 DC A 5 4.152 5.079 7.449 1.00 0.00 C ATOM 0 H5' DC A 5 1.042 7.503 3.881 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.581 5.933 3.321 1.00 0.00 H new ATOM 0 H4' DC A 5 -0.051 5.118 5.199 1.00 0.00 H new ATOM 0 H3' DC A 5 0.379 7.972 6.058 1.00 0.00 H new ATOM 0 H2' DC A 5 1.861 7.298 7.766 1.00 0.00 H new ATOM 0 H2'' DC A 5 0.477 6.489 8.472 1.00 0.00 H new ATOM 0 H1' DC A 5 1.011 4.368 7.396 1.00 0.00 H new ATOM 0 H41 DC A 5 7.048 3.677 9.718 1.00 0.00 H new ATOM 0 H42 DC A 5 5.947 3.035 10.942 1.00 0.00 H new ATOM 0 H5 DC A 5 6.247 4.871 7.740 1.00 0.00 H new ATOM 0 H6 DC A 5 4.263 5.591 6.505 1.00 0.00 H new ATOM 156 P DA A 6 -2.064 7.969 7.171 1.00 0.00 P ATOM 157 OP1 DA A 6 -3.271 8.080 6.321 1.00 0.00 O ATOM 158 OP2 DA A 6 -1.221 9.160 7.417 1.00 0.00 O ATOM 159 O5' DA A 6 -2.489 7.383 8.608 1.00 0.00 O ATOM 160 C5' DA A 6 -3.428 6.333 8.736 1.00 0.00 C ATOM 161 C4' DA A 6 -3.562 5.954 10.213 1.00 0.00 C ATOM 162 O4' DA A 6 -4.510 4.906 10.345 1.00 0.00 O ATOM 163 C3' DA A 6 -2.238 5.449 10.796 1.00 0.00 C ATOM 164 O3' DA A 6 -2.172 5.807 12.167 1.00 0.00 O ATOM 165 C2' DA A 6 -2.357 3.944 10.624 1.00 0.00 C ATOM 166 C1' DA A 6 -3.860 3.738 10.818 1.00 0.00 C ATOM 167 N9 DA A 6 -4.391 2.540 10.125 1.00 0.00 N ATOM 168 C8 DA A 6 -4.242 2.169 8.810 1.00 0.00 C ATOM 169 N7 DA A 6 -4.751 1.002 8.522 1.00 0.00 N ATOM 170 C5 DA A 6 -5.247 0.545 9.740 1.00 0.00 C ATOM 171 C6 DA A 6 -5.857 -0.666 10.148 1.00 0.00 C ATOM 172 N6 DA A 6 -6.087 -1.692 9.322 1.00 0.00 N ATOM 173 N1 DA A 6 -6.207 -0.811 11.442 1.00 0.00 N ATOM 174 C2 DA A 6 -5.964 0.190 12.288 1.00 0.00 C ATOM 175 N3 DA A 6 -5.392 1.367 12.037 1.00 0.00 N ATOM 176 C4 DA A 6 -5.047 1.487 10.722 1.00 0.00 C ATOM 0 H5' DA A 6 -3.107 5.469 8.154 1.00 0.00 H new ATOM 0 H5'' DA A 6 -4.395 6.643 8.339 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.872 6.850 10.750 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.344 5.857 10.324 1.00 0.00 H new ATOM 0 H2' DA A 6 -2.021 3.615 9.641 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.769 3.398 11.362 1.00 0.00 H new ATOM 0 H1' DA A 6 -4.050 3.566 11.878 1.00 0.00 H new ATOM 0 H8 DA A 6 -3.746 2.790 8.078 1.00 0.00 H new ATOM 0 H61 DA A 6 -6.531 -2.540 9.674 1.00 0.00 H new ATOM 0 H62 DA A 6 -5.819 -1.626 8.340 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.271 0.026 13.310 1.00 0.00 H new ATOM 188 P DT A 7 -0.911 6.594 12.797 1.00 0.00 P ATOM 189 OP1 DT A 7 -1.342 7.184 14.085 1.00 0.00 O ATOM 190 OP2 DT A 7 -0.322 7.472 11.760 1.00 0.00 O ATOM 191 O5' DT A 7 0.137 5.407 13.103 1.00 0.00 O ATOM 192 C5' DT A 7 -0.039 4.482 14.166 1.00 0.00 C ATOM 193 C4' DT A 7 1.172 4.491 15.110 1.00 0.00 C ATOM 194 O4' DT A 7 2.360 4.334 14.347 1.00 0.00 O ATOM 195 C3' DT A 7 1.301 5.810 15.887 1.00 0.00 C ATOM 196 O3' DT A 7 1.675 5.608 17.241 1.00 0.00 O ATOM 197 C2' DT A 7 2.404 6.563 15.164 1.00 0.00 C ATOM 198 C1' DT A 7 3.239 5.415 14.593 1.00 0.00 C ATOM 199 N1 DT A 7 4.006 5.776 13.362 1.00 0.00 N ATOM 200 C2 DT A 7 5.385 5.530 13.344 1.00 0.00 C ATOM 201 O2 DT A 7 5.975 4.910 14.228 1.00 0.00 O ATOM 202 N3 DT A 7 6.092 6.035 12.258 1.00 0.00 N ATOM 203 C4 DT A 7 5.554 6.755 11.199 1.00 0.00 C ATOM 204 O4 DT A 7 6.288 7.160 10.301 1.00 0.00 O ATOM 205 C5 DT A 7 4.112 6.942 11.273 1.00 0.00 C ATOM 206 C7 DT A 7 3.396 7.705 10.175 1.00 0.00 C ATOM 207 C6 DT A 7 3.400 6.443 12.316 1.00 0.00 C ATOM 0 H5' DT A 7 -0.181 3.480 13.761 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.941 4.731 14.724 1.00 0.00 H new ATOM 0 H4' DT A 7 1.028 3.676 15.819 1.00 0.00 H new ATOM 0 H3' DT A 7 0.349 6.341 15.916 1.00 0.00 H new ATOM 0 H2' DT A 7 2.012 7.213 14.382 1.00 0.00 H new ATOM 0 H2'' DT A 7 2.982 7.192 15.841 1.00 0.00 H new ATOM 0 H1' DT A 7 4.003 5.149 15.323 1.00 0.00 H new ATOM 0 H3 DT A 7 7.097 5.861 12.237 1.00 0.00 H new ATOM 0 H71 DT A 7 2.379 7.326 10.072 1.00 0.00 H new ATOM 0 H72 DT A 7 3.365 8.764 10.429 1.00 0.00 H new ATOM 0 H73 DT A 7 3.929 7.573 9.233 1.00 0.00 H new ATOM 0 H6 DT A 7 2.328 6.572 12.328 1.00 0.00 H new ATOM 220 P DG A 8 0.583 5.341 18.408 1.00 0.00 P ATOM 221 OP1 DG A 8 -0.647 6.102 18.090 1.00 0.00 O ATOM 222 OP2 DG A 8 1.251 5.552 19.711 1.00 0.00 O ATOM 223 O5' DG A 8 0.249 3.769 18.259 1.00 0.00 O ATOM 224 C5' DG A 8 1.175 2.782 18.668 1.00 0.00 C ATOM 225 C4' DG A 8 0.625 1.388 18.355 1.00 0.00 C ATOM 226 O4' DG A 8 0.457 1.188 16.957 1.00 0.00 O ATOM 227 C3' DG A 8 1.555 0.286 18.873 1.00 0.00 C ATOM 228 O3' DG A 8 1.127 -0.218 20.123 1.00 0.00 O ATOM 229 C2' DG A 8 1.434 -0.781 17.791 1.00 0.00 C ATOM 230 C1' DG A 8 1.192 0.052 16.533 1.00 0.00 C ATOM 231 N9 DG A 8 2.434 0.501 15.847 1.00 0.00 N ATOM 232 C8 DG A 8 3.741 0.513 16.277 1.00 0.00 C ATOM 233 N7 DG A 8 4.586 1.008 15.415 1.00 0.00 N ATOM 234 C5 DG A 8 3.792 1.345 14.323 1.00 0.00 C ATOM 235 C6 DG A 8 4.148 1.927 13.063 1.00 0.00 C ATOM 236 O6 DG A 8 5.261 2.267 12.667 1.00 0.00 O ATOM 237 N1 DG A 8 3.048 2.097 12.226 1.00 0.00 N ATOM 238 C2 DG A 8 1.754 1.754 12.566 1.00 0.00 C ATOM 239 N2 DG A 8 0.803 2.027 11.678 1.00 0.00 N ATOM 240 N3 DG A 8 1.415 1.200 13.742 1.00 0.00 N ATOM 241 C4 DG A 8 2.477 1.023 14.577 1.00 0.00 C ATOM 0 H5' DG A 8 1.369 2.874 19.737 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.126 2.930 18.157 1.00 0.00 H new ATOM 0 H4' DG A 8 -0.341 1.330 18.857 1.00 0.00 H new ATOM 0 H3' DG A 8 2.574 0.633 19.042 1.00 0.00 H new ATOM 0 H2' DG A 8 2.339 -1.383 17.711 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.611 -1.468 17.988 1.00 0.00 H new ATOM 0 HO3' DG A 8 1.743 -0.920 20.421 1.00 0.00 H new ATOM 0 H1' DG A 8 0.668 -0.564 15.802 1.00 0.00 H new ATOM 0 H8 DG A 8 4.042 0.144 17.246 1.00 0.00 H new ATOM 0 H1 DG A 8 3.208 2.501 11.303 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.168 1.793 11.883 1.00 0.00 H new ATOM 0 H22 DG A 8 1.045 2.471 10.792 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 -2.867 6.453 4.314 1.00 0.00 NA HETATM 256 NA NA A 102 -2.242 6.824 16.359 1.00 0.00 NA HETATM 257 NA NA A 103 -3.942 -8.601 14.082 1.00 0.00 NA HETATM 258 NA NA A 104 6.737 2.543 14.785 1.00 0.00 NA HETATM 259 NA NA A 105 -0.842 9.077 9.934 1.00 0.00 NA HETATM 260 NA NA A 106 -0.424 -0.681 -0.898 1.00 0.00 NA HETATM 261 NA NA A 107 -2.671 -3.390 3.691 1.00 0.00 NA