USER MOD reduce.3.24.130724 H: found=0, std=0, add=93, rem=0, adj=2 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 150:sc= 0 (180deg=0) 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 -0.469 -5.655 17.578 1.00 0.00 O ATOM 2 C5' DC A 1 0.268 -4.605 16.984 1.00 0.00 C ATOM 3 C4' DC A 1 -0.507 -3.976 15.819 1.00 0.00 C ATOM 4 O4' DC A 1 0.255 -2.897 15.294 1.00 0.00 O ATOM 5 C3' DC A 1 -0.765 -4.966 14.672 1.00 0.00 C ATOM 6 O3' DC A 1 -2.079 -4.753 14.177 1.00 0.00 O ATOM 7 C2' DC A 1 0.314 -4.584 13.664 1.00 0.00 C ATOM 8 C1' DC A 1 0.397 -3.078 13.899 1.00 0.00 C ATOM 9 N1 DC A 1 1.656 -2.468 13.382 1.00 0.00 N ATOM 10 C2 DC A 1 1.585 -1.609 12.277 1.00 0.00 C ATOM 11 O2 DC A 1 0.504 -1.225 11.839 1.00 0.00 O ATOM 12 N3 DC A 1 2.743 -1.197 11.683 1.00 0.00 N ATOM 13 C4 DC A 1 3.938 -1.574 12.158 1.00 0.00 C ATOM 14 N4 DC A 1 5.038 -1.154 11.524 1.00 0.00 N ATOM 15 C5 DC A 1 4.039 -2.414 13.323 1.00 0.00 C ATOM 16 C6 DC A 1 2.881 -2.840 13.887 1.00 0.00 C ATOM 0 H5' DC A 1 1.224 -4.986 16.625 1.00 0.00 H new ATOM 0 H5'' DC A 1 0.488 -3.843 17.732 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.470 -3.651 16.212 1.00 0.00 H new ATOM 0 H3' DC A 1 -0.715 -6.022 14.938 1.00 0.00 H new ATOM 0 H2' DC A 1 1.261 -5.087 13.861 1.00 0.00 H new ATOM 0 H2'' DC A 1 0.030 -4.828 12.640 1.00 0.00 H new ATOM 0 HO5' DC A 1 0.047 -6.040 18.316 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.389 -2.565 13.345 1.00 0.00 H new ATOM 0 H41 DC A 1 5.959 -1.427 11.866 1.00 0.00 H new ATOM 0 H42 DC A 1 4.956 -0.560 10.699 1.00 0.00 H new ATOM 0 H5 DC A 1 4.999 -2.694 13.732 1.00 0.00 H new ATOM 0 H6 DC A 1 2.921 -3.486 14.752 1.00 0.00 H new ATOM 29 P DT A 2 -2.805 -5.764 13.142 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.264 -5.666 13.375 1.00 0.00 O ATOM 31 OP2 DT A 2 -2.159 -7.093 13.218 1.00 0.00 O ATOM 32 O5' DT A 2 -2.491 -5.127 11.698 1.00 0.00 O ATOM 33 C5' DT A 2 -3.125 -5.614 10.529 1.00 0.00 C ATOM 34 C4' DT A 2 -2.851 -4.708 9.322 1.00 0.00 C ATOM 35 O4' DT A 2 -3.400 -3.419 9.574 1.00 0.00 O ATOM 36 C3' DT A 2 -1.357 -4.541 9.012 1.00 0.00 C ATOM 37 O3' DT A 2 -1.038 -4.712 7.627 1.00 0.00 O ATOM 38 C2' DT A 2 -1.049 -3.167 9.588 1.00 0.00 C ATOM 39 C1' DT A 2 -2.382 -2.440 9.451 1.00 0.00 C ATOM 40 N1 DT A 2 -2.504 -1.359 10.463 1.00 0.00 N ATOM 41 C2 DT A 2 -2.175 -0.057 10.073 1.00 0.00 C ATOM 42 O2 DT A 2 -1.957 0.269 8.903 1.00 0.00 O ATOM 43 N3 DT A 2 -2.085 0.885 11.088 1.00 0.00 N ATOM 44 C4 DT A 2 -2.304 0.650 12.440 1.00 0.00 C ATOM 45 O4 DT A 2 -2.189 1.570 13.246 1.00 0.00 O ATOM 46 C5 DT A 2 -2.670 -0.721 12.762 1.00 0.00 C ATOM 47 C7 DT A 2 -2.946 -1.108 14.204 1.00 0.00 C ATOM 48 C6 DT A 2 -2.753 -1.661 11.785 1.00 0.00 C ATOM 0 H5' DT A 2 -4.200 -5.682 10.698 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.772 -6.623 10.316 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.314 -5.188 8.460 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.729 -5.314 9.455 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.725 -3.227 10.627 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.255 -2.665 9.035 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.466 -1.944 8.484 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.835 1.836 10.817 1.00 0.00 H new ATOM 0 H71 DT A 2 -3.674 -1.919 14.230 1.00 0.00 H new ATOM 0 H72 DT A 2 -2.020 -1.436 14.676 1.00 0.00 H new ATOM 0 H73 DT A 2 -3.343 -0.247 14.742 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.021 -2.673 12.051 1.00 0.00 H new ATOM 61 P DT A 3 -1.644 -3.896 6.341 1.00 0.00 P ATOM 62 OP1 DT A 3 -3.059 -3.539 6.576 1.00 0.00 O ATOM 63 OP2 DT A 3 -1.329 -4.708 5.148 1.00 0.00 O ATOM 64 O5' DT A 3 -0.821 -2.501 6.230 1.00 0.00 O ATOM 65 C5' DT A 3 0.588 -2.429 6.360 1.00 0.00 C ATOM 66 C4' DT A 3 1.323 -2.106 5.055 1.00 0.00 C ATOM 67 O4' DT A 3 2.664 -1.786 5.372 1.00 0.00 O ATOM 68 C3' DT A 3 1.425 -3.245 4.038 1.00 0.00 C ATOM 69 O3' DT A 3 1.594 -2.765 2.713 1.00 0.00 O ATOM 70 C2' DT A 3 2.651 -4.018 4.507 1.00 0.00 C ATOM 71 C1' DT A 3 3.485 -2.932 5.205 1.00 0.00 C ATOM 72 N1 DT A 3 4.122 -3.295 6.513 1.00 0.00 N ATOM 73 C2 DT A 3 5.386 -2.752 6.779 1.00 0.00 C ATOM 74 O2 DT A 3 6.013 -2.066 5.972 1.00 0.00 O ATOM 75 N3 DT A 3 5.931 -3.016 8.031 1.00 0.00 N ATOM 76 C4 DT A 3 5.331 -3.756 9.041 1.00 0.00 C ATOM 77 O4 DT A 3 5.909 -3.905 10.116 1.00 0.00 O ATOM 78 C5 DT A 3 4.024 -4.296 8.692 1.00 0.00 C ATOM 79 C7 DT A 3 3.256 -5.122 9.710 1.00 0.00 C ATOM 80 C6 DT A 3 3.480 -4.065 7.469 1.00 0.00 C ATOM 0 H5' DT A 3 0.955 -3.380 6.745 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.835 -1.669 7.101 1.00 0.00 H new ATOM 0 H4' DT A 3 0.736 -1.306 4.604 1.00 0.00 H new ATOM 0 H3' DT A 3 0.520 -3.852 3.997 1.00 0.00 H new ATOM 0 H2' DT A 3 2.385 -4.826 5.189 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.189 -4.469 3.673 1.00 0.00 H new ATOM 0 H1' DT A 3 4.338 -2.759 4.549 1.00 0.00 H new ATOM 0 H3 DT A 3 6.855 -2.631 8.225 1.00 0.00 H new ATOM 0 H71 DT A 3 2.186 -4.997 9.547 1.00 0.00 H new ATOM 0 H72 DT A 3 3.520 -6.174 9.599 1.00 0.00 H new ATOM 0 H73 DT A 3 3.511 -4.789 10.716 1.00 0.00 H new ATOM 0 H6 DT A 3 2.517 -4.495 7.235 1.00 0.00 H new ATOM 93 P DG A 4 0.329 -2.370 1.778 1.00 0.00 P ATOM 94 OP1 DG A 4 -0.765 -3.337 2.021 1.00 0.00 O ATOM 95 OP2 DG A 4 0.827 -2.166 0.400 1.00 0.00 O ATOM 96 O5' DG A 4 -0.142 -0.940 2.364 1.00 0.00 O ATOM 97 C5' DG A 4 0.516 0.257 1.999 1.00 0.00 C ATOM 98 C4' DG A 4 0.142 1.382 2.969 1.00 0.00 C ATOM 99 O4' DG A 4 0.754 1.149 4.232 1.00 0.00 O ATOM 100 C3' DG A 4 0.665 2.727 2.455 1.00 0.00 C ATOM 101 O3' DG A 4 -0.238 3.752 2.847 1.00 0.00 O ATOM 102 C2' DG A 4 2.011 2.816 3.168 1.00 0.00 C ATOM 103 C1' DG A 4 1.669 2.193 4.522 1.00 0.00 C ATOM 104 N9 DG A 4 2.841 1.714 5.304 1.00 0.00 N ATOM 105 C8 DG A 4 4.173 1.658 4.967 1.00 0.00 C ATOM 106 N7 DG A 4 4.949 1.200 5.911 1.00 0.00 N ATOM 107 C5 DG A 4 4.078 0.903 6.954 1.00 0.00 C ATOM 108 C6 DG A 4 4.332 0.355 8.258 1.00 0.00 C ATOM 109 O6 DG A 4 5.400 0.031 8.774 1.00 0.00 O ATOM 110 N1 DG A 4 3.167 0.190 8.997 1.00 0.00 N ATOM 111 C2 DG A 4 1.910 0.532 8.549 1.00 0.00 C ATOM 112 N2 DG A 4 0.908 0.295 9.386 1.00 0.00 N ATOM 113 N3 DG A 4 1.661 1.061 7.341 1.00 0.00 N ATOM 114 C4 DG A 4 2.785 1.217 6.587 1.00 0.00 C ATOM 0 H5' DG A 4 0.240 0.537 0.982 1.00 0.00 H new ATOM 0 H5'' DG A 4 1.595 0.104 2.006 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.944 1.404 3.056 1.00 0.00 H new ATOM 0 H3' DG A 4 0.760 2.826 1.374 1.00 0.00 H new ATOM 0 H2' DG A 4 2.791 2.263 2.645 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.359 3.844 3.264 1.00 0.00 H new ATOM 0 H1' DG A 4 1.243 2.951 5.179 1.00 0.00 H new ATOM 0 H8 DG A 4 4.546 1.967 4.002 1.00 0.00 H new ATOM 0 H1 DG A 4 3.248 -0.210 9.932 1.00 0.00 H new ATOM 0 H21 DG A 4 -0.048 0.525 9.115 1.00 0.00 H new ATOM 0 H22 DG A 4 1.094 -0.117 10.300 1.00 0.00 H new ATOM 126 P DC A 5 -0.468 5.104 1.981 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.894 5.140 1.592 1.00 0.00 O ATOM 128 OP2 DC A 5 0.586 5.214 0.948 1.00 0.00 O ATOM 129 O5' DC A 5 -0.245 6.291 3.060 1.00 0.00 O ATOM 130 C5' DC A 5 0.976 6.428 3.761 1.00 0.00 C ATOM 131 C4' DC A 5 0.818 5.719 5.106 1.00 0.00 C ATOM 132 O4' DC A 5 2.037 5.241 5.617 1.00 0.00 O ATOM 133 C3' DC A 5 0.174 6.563 6.212 1.00 0.00 C ATOM 134 O3' DC A 5 -1.238 6.356 6.237 1.00 0.00 O ATOM 135 C2' DC A 5 1.012 6.165 7.438 1.00 0.00 C ATOM 136 C1' DC A 5 1.761 4.927 6.964 1.00 0.00 C ATOM 137 N1 DC A 5 2.973 4.650 7.770 1.00 0.00 N ATOM 138 C2 DC A 5 2.827 3.946 8.971 1.00 0.00 C ATOM 139 O2 DC A 5 1.714 3.680 9.425 1.00 0.00 O ATOM 140 N3 DC A 5 3.948 3.543 9.635 1.00 0.00 N ATOM 141 C4 DC A 5 5.168 3.823 9.161 1.00 0.00 C ATOM 142 N4 DC A 5 6.230 3.384 9.839 1.00 0.00 N ATOM 143 C5 DC A 5 5.337 4.579 7.953 1.00 0.00 C ATOM 144 C6 DC A 5 4.222 4.964 7.294 1.00 0.00 C ATOM 0 H5' DC A 5 1.217 7.481 3.909 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.796 5.991 3.191 1.00 0.00 H new ATOM 0 H4' DC A 5 0.147 4.897 4.856 1.00 0.00 H new ATOM 0 H3' DC A 5 0.201 7.647 6.106 1.00 0.00 H new ATOM 0 H2' DC A 5 1.696 6.961 7.733 1.00 0.00 H new ATOM 0 H2'' DC A 5 0.383 5.949 8.302 1.00 0.00 H new ATOM 0 H1' DC A 5 1.193 4.003 7.073 1.00 0.00 H new ATOM 0 H41 DC A 5 7.171 3.584 9.499 1.00 0.00 H new ATOM 0 H42 DC A 5 6.101 2.848 10.697 1.00 0.00 H new ATOM 0 H5 DC A 5 6.320 4.831 7.584 1.00 0.00 H new ATOM 0 H6 DC A 5 4.315 5.528 6.378 1.00 0.00 H new ATOM 156 P DA A 6 -2.025 5.102 6.906 1.00 0.00 P ATOM 157 OP1 DA A 6 -1.232 3.862 6.746 1.00 0.00 O ATOM 158 OP2 DA A 6 -3.406 5.135 6.377 1.00 0.00 O ATOM 159 O5' DA A 6 -2.081 5.465 8.474 1.00 0.00 O ATOM 160 C5' DA A 6 -2.705 6.644 8.953 1.00 0.00 C ATOM 161 C4' DA A 6 -3.195 6.495 10.403 1.00 0.00 C ATOM 162 O4' DA A 6 -4.283 5.584 10.454 1.00 0.00 O ATOM 163 C3' DA A 6 -2.122 5.987 11.379 1.00 0.00 C ATOM 164 O3' DA A 6 -2.283 6.705 12.608 1.00 0.00 O ATOM 165 C2' DA A 6 -2.393 4.478 11.371 1.00 0.00 C ATOM 166 C1' DA A 6 -3.913 4.441 11.204 1.00 0.00 C ATOM 167 N9 DA A 6 -4.392 3.215 10.528 1.00 0.00 N ATOM 168 C8 DA A 6 -4.180 2.815 9.230 1.00 0.00 C ATOM 169 N7 DA A 6 -4.701 1.657 8.935 1.00 0.00 N ATOM 170 C5 DA A 6 -5.263 1.230 10.135 1.00 0.00 C ATOM 171 C6 DA A 6 -5.908 0.033 10.530 1.00 0.00 C ATOM 172 N6 DA A 6 -6.112 -1.000 9.706 1.00 0.00 N ATOM 173 N1 DA A 6 -6.317 -0.089 11.809 1.00 0.00 N ATOM 174 C2 DA A 6 -6.094 0.918 12.652 1.00 0.00 C ATOM 175 N3 DA A 6 -5.487 2.082 12.417 1.00 0.00 N ATOM 176 C4 DA A 6 -5.088 2.181 11.114 1.00 0.00 C ATOM 0 H5' DA A 6 -3.549 6.893 8.310 1.00 0.00 H new ATOM 0 H5'' DA A 6 -2.002 7.475 8.893 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.482 7.499 10.715 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.069 6.150 11.147 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.878 3.973 10.553 1.00 0.00 H new ATOM 0 H2'' DA A 6 -2.070 3.999 12.295 1.00 0.00 H new ATOM 0 H1' DA A 6 -4.373 4.438 12.192 1.00 0.00 H new ATOM 0 H8 DA A 6 -3.629 3.409 8.516 1.00 0.00 H new ATOM 0 H61 DA A 6 -6.583 -1.838 10.046 1.00 0.00 H new ATOM 0 H62 DA A 6 -5.797 -0.950 8.737 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.453 0.772 13.660 1.00 0.00 H new ATOM 188 P DT A 7 -2.156 6.095 14.108 1.00 0.00 P ATOM 189 OP1 DT A 7 -3.172 5.034 14.296 1.00 0.00 O ATOM 190 OP2 DT A 7 -2.118 7.229 15.058 1.00 0.00 O ATOM 191 O5' DT A 7 -0.689 5.429 14.095 1.00 0.00 O ATOM 192 C5' DT A 7 -0.336 4.374 14.972 1.00 0.00 C ATOM 193 C4' DT A 7 1.144 4.486 15.350 1.00 0.00 C ATOM 194 O4' DT A 7 1.946 4.488 14.185 1.00 0.00 O ATOM 195 C3' DT A 7 1.465 5.785 16.109 1.00 0.00 C ATOM 196 O3' DT A 7 1.897 5.539 17.438 1.00 0.00 O ATOM 197 C2' DT A 7 2.591 6.431 15.310 1.00 0.00 C ATOM 198 C1' DT A 7 3.085 5.273 14.443 1.00 0.00 C ATOM 199 N1 DT A 7 3.725 5.716 13.173 1.00 0.00 N ATOM 200 C2 DT A 7 5.083 5.439 12.976 1.00 0.00 C ATOM 201 O2 DT A 7 5.755 4.756 13.749 1.00 0.00 O ATOM 202 N3 DT A 7 5.672 5.996 11.846 1.00 0.00 N ATOM 203 C4 DT A 7 5.040 6.816 10.920 1.00 0.00 C ATOM 204 O4 DT A 7 5.677 7.261 9.968 1.00 0.00 O ATOM 205 C5 DT A 7 3.632 7.061 11.196 1.00 0.00 C ATOM 206 C7 DT A 7 2.830 7.948 10.264 1.00 0.00 C ATOM 207 C6 DT A 7 3.029 6.502 12.278 1.00 0.00 C ATOM 0 H5' DT A 7 -0.527 3.413 14.495 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.954 4.413 15.869 1.00 0.00 H new ATOM 0 H4' DT A 7 1.355 3.629 15.990 1.00 0.00 H new ATOM 0 H3' DT A 7 0.580 6.415 16.195 1.00 0.00 H new ATOM 0 H2' DT A 7 2.234 7.266 14.707 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.378 6.818 15.957 1.00 0.00 H new ATOM 0 H1' DT A 7 3.867 4.720 14.964 1.00 0.00 H new ATOM 0 H3 DT A 7 6.656 5.783 11.683 1.00 0.00 H new ATOM 0 H71 DT A 7 1.788 7.627 10.263 1.00 0.00 H new ATOM 0 H72 DT A 7 2.891 8.982 10.604 1.00 0.00 H new ATOM 0 H73 DT A 7 3.233 7.874 9.254 1.00 0.00 H new ATOM 0 H6 DT A 7 1.976 6.678 12.442 1.00 0.00 H new ATOM 220 P DG A 8 0.858 5.212 18.636 1.00 0.00 P ATOM 221 OP1 DG A 8 -0.388 5.978 18.402 1.00 0.00 O ATOM 222 OP2 DG A 8 1.578 5.370 19.919 1.00 0.00 O ATOM 223 O5' DG A 8 0.521 3.646 18.434 1.00 0.00 O ATOM 224 C5' DG A 8 1.460 2.640 18.762 1.00 0.00 C ATOM 225 C4' DG A 8 0.878 1.265 18.422 1.00 0.00 C ATOM 226 O4' DG A 8 0.615 1.147 17.032 1.00 0.00 O ATOM 227 C3' DG A 8 1.826 0.128 18.818 1.00 0.00 C ATOM 228 O3' DG A 8 1.461 -0.458 20.053 1.00 0.00 O ATOM 229 C2' DG A 8 1.646 -0.869 17.680 1.00 0.00 C ATOM 230 C1' DG A 8 1.311 0.035 16.496 1.00 0.00 C ATOM 231 N9 DG A 8 2.502 0.505 15.743 1.00 0.00 N ATOM 232 C8 DG A 8 3.838 0.452 16.063 1.00 0.00 C ATOM 233 N7 DG A 8 4.631 0.905 15.132 1.00 0.00 N ATOM 234 C5 DG A 8 3.762 1.305 14.122 1.00 0.00 C ATOM 235 C6 DG A 8 4.041 1.877 12.839 1.00 0.00 C ATOM 236 O6 DG A 8 5.139 2.117 12.342 1.00 0.00 O ATOM 237 N1 DG A 8 2.883 2.174 12.123 1.00 0.00 N ATOM 238 C2 DG A 8 1.603 1.942 12.590 1.00 0.00 C ATOM 239 N2 DG A 8 0.595 2.365 11.830 1.00 0.00 N ATOM 240 N3 DG A 8 1.337 1.369 13.776 1.00 0.00 N ATOM 241 C4 DG A 8 2.458 1.080 14.497 1.00 0.00 C ATOM 0 H5' DG A 8 1.706 2.690 19.823 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.387 2.800 18.212 1.00 0.00 H new ATOM 0 H4' DG A 8 -0.049 1.182 18.990 1.00 0.00 H new ATOM 0 H3' DG A 8 2.853 0.465 18.955 1.00 0.00 H new ATOM 0 H2' DG A 8 2.551 -1.450 17.503 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.846 -1.580 17.886 1.00 0.00 H new ATOM 0 HO3' DG A 8 2.087 -1.180 20.271 1.00 0.00 H new ATOM 0 H1' DG A 8 0.721 -0.532 15.776 1.00 0.00 H new ATOM 0 H8 DG A 8 4.200 0.068 17.005 1.00 0.00 H new ATOM 0 H1 DG A 8 2.986 2.588 11.197 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.368 2.217 12.132 1.00 0.00 H new ATOM 0 H22 DG A 8 0.786 2.837 10.946 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 -0.952 1.354 6.620 1.00 0.00 NA HETATM 256 NA NA A 102 -4.000 2.742 14.609 1.00 0.00 NA HETATM 257 NA NA A 103 -4.463 -8.240 13.568 1.00 0.00 NA HETATM 258 NA NA A 104 -2.173 7.439 17.524 1.00 0.00 NA HETATM 259 NA NA A 105 -2.802 5.874 3.940 1.00 0.00 NA HETATM 260 NA NA A 106 -2.741 -3.418 3.510 1.00 0.00 NA HETATM 261 NA NA A 107 6.721 2.486 14.387 1.00 0.00 NA