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= -0.0489 (180deg=-0.0489) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -4.925 -4.552 6.177 1.00 0.00 O ATOM 2 C5' DC A 1 -5.826 -3.671 6.822 1.00 0.00 C ATOM 3 C4' DC A 1 -5.131 -2.387 7.296 1.00 0.00 C ATOM 4 O4' DC A 1 -4.131 -2.719 8.246 1.00 0.00 O ATOM 5 C3' DC A 1 -4.469 -1.601 6.150 1.00 0.00 C ATOM 6 O3' DC A 1 -4.867 -0.238 6.229 1.00 0.00 O ATOM 7 C2' DC A 1 -2.979 -1.789 6.420 1.00 0.00 C ATOM 8 C1' DC A 1 -2.944 -2.023 7.928 1.00 0.00 C ATOM 9 N1 DC A 1 -1.732 -2.778 8.347 1.00 0.00 N ATOM 10 C2 DC A 1 -0.653 -2.072 8.896 1.00 0.00 C ATOM 11 O2 DC A 1 -0.707 -0.857 9.072 1.00 0.00 O ATOM 12 N3 DC A 1 0.476 -2.758 9.239 1.00 0.00 N ATOM 13 C4 DC A 1 0.564 -4.083 9.051 1.00 0.00 C ATOM 14 N4 DC A 1 1.678 -4.710 9.432 1.00 0.00 N ATOM 15 C5 DC A 1 -0.519 -4.826 8.464 1.00 0.00 C ATOM 16 C6 DC A 1 -1.635 -4.134 8.126 1.00 0.00 C ATOM 0 H5' DC A 1 -6.278 -4.175 7.676 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.635 -3.415 6.138 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.904 -1.753 7.731 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.742 -1.934 5.149 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.570 -2.636 5.868 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.400 -0.911 6.132 1.00 0.00 H new ATOM 0 HO5' DC A 1 -5.404 -5.358 5.891 1.00 0.00 H new ATOM 0 H1' DC A 1 -2.889 -1.076 8.466 1.00 0.00 H new ATOM 0 H41 DC A 1 1.767 -5.717 9.299 1.00 0.00 H new ATOM 0 H42 DC A 1 2.441 -4.182 9.856 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.446 -5.891 8.299 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.465 -4.657 7.674 1.00 0.00 H new ATOM 29 P DT A 2 -4.663 0.819 5.016 1.00 0.00 P ATOM 30 OP1 DT A 2 -5.672 1.887 5.190 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.609 0.090 3.731 1.00 0.00 O ATOM 32 O5' DT A 2 -3.211 1.454 5.305 1.00 0.00 O ATOM 33 C5' DT A 2 -2.787 2.668 4.709 1.00 0.00 C ATOM 34 C4' DT A 2 -1.472 3.166 5.330 1.00 0.00 C ATOM 35 O4' DT A 2 -1.695 3.472 6.701 1.00 0.00 O ATOM 36 C3' DT A 2 -0.352 2.113 5.254 1.00 0.00 C ATOM 37 O3' DT A 2 0.933 2.607 4.844 1.00 0.00 O ATOM 38 C2' DT A 2 -0.385 1.485 6.649 1.00 0.00 C ATOM 39 C1' DT A 2 -0.904 2.622 7.515 1.00 0.00 C ATOM 40 N1 DT A 2 -1.626 2.229 8.754 1.00 0.00 N ATOM 41 C2 DT A 2 -1.014 2.502 9.981 1.00 0.00 C ATOM 42 O2 DT A 2 0.080 3.054 10.090 1.00 0.00 O ATOM 43 N3 DT A 2 -1.718 2.128 11.114 1.00 0.00 N ATOM 44 C4 DT A 2 -2.972 1.531 11.139 1.00 0.00 C ATOM 45 O4 DT A 2 -3.496 1.267 12.218 1.00 0.00 O ATOM 46 C5 DT A 2 -3.544 1.286 9.826 1.00 0.00 C ATOM 47 C7 DT A 2 -4.922 0.657 9.720 1.00 0.00 C ATOM 48 C6 DT A 2 -2.866 1.632 8.700 1.00 0.00 C ATOM 0 H5' DT A 2 -3.560 3.426 4.833 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.653 2.522 3.637 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.157 4.043 4.765 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.523 1.387 4.459 1.00 0.00 H new ATOM 0 H2' DT A 2 -1.041 0.616 6.686 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.603 1.152 6.967 1.00 0.00 H new ATOM 0 H1' DT A 2 -0.026 3.138 7.903 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.274 2.308 12.014 1.00 0.00 H new ATOM 0 H71 DT A 2 -5.414 1.009 8.813 1.00 0.00 H new ATOM 0 H72 DT A 2 -4.825 -0.428 9.683 1.00 0.00 H new ATOM 0 H73 DT A 2 -5.518 0.938 10.588 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.312 1.433 7.737 1.00 0.00 H new ATOM 61 P DT A 3 1.683 3.991 5.310 1.00 0.00 P ATOM 62 OP1 DT A 3 0.964 4.671 6.406 1.00 0.00 O ATOM 63 OP2 DT A 3 2.018 4.755 4.089 1.00 0.00 O ATOM 64 O5' DT A 3 3.082 3.459 5.907 1.00 0.00 O ATOM 65 C5' DT A 3 3.125 2.403 6.844 1.00 0.00 C ATOM 66 C4' DT A 3 4.560 2.043 7.240 1.00 0.00 C ATOM 67 O4' DT A 3 4.520 0.756 7.843 1.00 0.00 O ATOM 68 C3' DT A 3 5.532 1.928 6.058 1.00 0.00 C ATOM 69 O3' DT A 3 6.861 2.263 6.434 1.00 0.00 O ATOM 70 C2' DT A 3 5.435 0.462 5.664 1.00 0.00 C ATOM 71 C1' DT A 3 5.122 -0.214 6.999 1.00 0.00 C ATOM 72 N1 DT A 3 4.280 -1.441 6.854 1.00 0.00 N ATOM 73 C2 DT A 3 4.840 -2.677 7.202 1.00 0.00 C ATOM 74 O2 DT A 3 5.971 -2.801 7.670 1.00 0.00 O ATOM 75 N3 DT A 3 4.053 -3.802 6.977 1.00 0.00 N ATOM 76 C4 DT A 3 2.787 -3.812 6.404 1.00 0.00 C ATOM 77 O4 DT A 3 2.201 -4.879 6.231 1.00 0.00 O ATOM 78 C5 DT A 3 2.280 -2.494 6.051 1.00 0.00 C ATOM 79 C7 DT A 3 0.908 -2.359 5.411 1.00 0.00 C ATOM 80 C6 DT A 3 3.026 -1.382 6.279 1.00 0.00 C ATOM 0 H5' DT A 3 2.634 1.525 6.423 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.564 2.686 7.734 1.00 0.00 H new ATOM 0 H4' DT A 3 4.916 2.843 7.889 1.00 0.00 H new ATOM 0 H3' DT A 3 5.283 2.611 5.246 1.00 0.00 H new ATOM 0 H2' DT A 3 4.650 0.290 4.927 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.365 0.095 5.231 1.00 0.00 H new ATOM 0 H1' DT A 3 6.049 -0.575 7.444 1.00 0.00 H new ATOM 0 H3 DT A 3 4.441 -4.702 7.259 1.00 0.00 H new ATOM 0 H71 DT A 3 0.469 -1.401 5.689 1.00 0.00 H new ATOM 0 H72 DT A 3 1.005 -2.412 4.327 1.00 0.00 H new ATOM 0 H73 DT A 3 0.264 -3.167 5.757 1.00 0.00 H new ATOM 0 H6 DT A 3 2.625 -0.419 6.001 1.00 0.00 H new ATOM 93 P DG A 4 7.463 3.761 6.256 1.00 0.00 P ATOM 94 OP1 DG A 4 6.779 4.419 5.119 1.00 0.00 O ATOM 95 OP2 DG A 4 8.938 3.633 6.241 1.00 0.00 O ATOM 96 O5' DG A 4 7.024 4.536 7.609 1.00 0.00 O ATOM 97 C5' DG A 4 7.836 4.574 8.775 1.00 0.00 C ATOM 98 C4' DG A 4 7.024 4.167 10.005 1.00 0.00 C ATOM 99 O4' DG A 4 6.520 2.861 9.814 1.00 0.00 O ATOM 100 C3' DG A 4 7.864 4.130 11.293 1.00 0.00 C ATOM 101 O3' DG A 4 7.329 5.048 12.237 1.00 0.00 O ATOM 102 C2' DG A 4 7.739 2.669 11.743 1.00 0.00 C ATOM 103 C1' DG A 4 6.428 2.259 11.080 1.00 0.00 C ATOM 104 N9 DG A 4 6.228 0.802 10.912 1.00 0.00 N ATOM 105 C8 DG A 4 7.140 -0.225 10.884 1.00 0.00 C ATOM 106 N7 DG A 4 6.610 -1.407 10.738 1.00 0.00 N ATOM 107 C5 DG A 4 5.242 -1.157 10.672 1.00 0.00 C ATOM 108 C6 DG A 4 4.140 -2.053 10.485 1.00 0.00 C ATOM 109 O6 DG A 4 4.160 -3.274 10.361 1.00 0.00 O ATOM 110 N1 DG A 4 2.916 -1.389 10.433 1.00 0.00 N ATOM 111 C2 DG A 4 2.768 -0.022 10.574 1.00 0.00 C ATOM 112 N2 DG A 4 1.533 0.464 10.471 1.00 0.00 N ATOM 113 N3 DG A 4 3.791 0.819 10.786 1.00 0.00 N ATOM 114 C4 DG A 4 5.002 0.192 10.813 1.00 0.00 C ATOM 0 H5' DG A 4 8.238 5.578 8.913 1.00 0.00 H new ATOM 0 H5'' DG A 4 8.687 3.903 8.655 1.00 0.00 H new ATOM 0 H4' DG A 4 6.237 4.913 10.117 1.00 0.00 H new ATOM 0 H3' DG A 4 8.906 4.423 11.168 1.00 0.00 H new ATOM 0 H2' DG A 4 8.578 2.062 11.403 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.697 2.576 12.828 1.00 0.00 H new ATOM 0 H1' DG A 4 5.585 2.565 11.699 1.00 0.00 H new ATOM 0 H8 DG A 4 8.204 -0.067 10.975 1.00 0.00 H new ATOM 0 H1 DG A 4 2.076 -1.947 10.281 1.00 0.00 H new ATOM 0 H21 DG A 4 1.370 1.466 10.567 1.00 0.00 H new ATOM 0 H22 DG A 4 0.750 -0.166 10.296 1.00 0.00 H new ATOM 126 P DC A 5 8.042 5.350 13.660 1.00 0.00 P ATOM 127 OP1 DC A 5 7.667 6.719 14.079 1.00 0.00 O ATOM 128 OP2 DC A 5 9.479 5.012 13.549 1.00 0.00 O ATOM 129 O5' DC A 5 7.351 4.285 14.664 1.00 0.00 O ATOM 130 C5' DC A 5 6.282 4.616 15.537 1.00 0.00 C ATOM 131 C4' DC A 5 4.988 5.021 14.807 1.00 0.00 C ATOM 132 O4' DC A 5 4.638 4.057 13.827 1.00 0.00 O ATOM 133 C3' DC A 5 3.833 5.101 15.809 1.00 0.00 C ATOM 134 O3' DC A 5 2.915 6.119 15.448 1.00 0.00 O ATOM 135 C2' DC A 5 3.228 3.707 15.712 1.00 0.00 C ATOM 136 C1' DC A 5 3.513 3.311 14.263 1.00 0.00 C ATOM 137 N1 DC A 5 3.723 1.839 14.143 1.00 0.00 N ATOM 138 C2 DC A 5 2.596 1.031 13.967 1.00 0.00 C ATOM 139 O2 DC A 5 1.471 1.521 13.914 1.00 0.00 O ATOM 140 N3 DC A 5 2.760 -0.318 13.865 1.00 0.00 N ATOM 141 C4 DC A 5 3.975 -0.876 13.944 1.00 0.00 C ATOM 142 N4 DC A 5 4.072 -2.201 13.812 1.00 0.00 N ATOM 143 C5 DC A 5 5.149 -0.071 14.152 1.00 0.00 C ATOM 144 C6 DC A 5 4.974 1.272 14.246 1.00 0.00 C ATOM 0 H5' DC A 5 6.594 5.435 16.185 1.00 0.00 H new ATOM 0 H5'' DC A 5 6.073 3.762 16.181 1.00 0.00 H new ATOM 0 H4' DC A 5 5.162 5.987 14.332 1.00 0.00 H new ATOM 0 H3' DC A 5 4.136 5.361 16.823 1.00 0.00 H new ATOM 0 H2' DC A 5 3.689 3.016 16.418 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.159 3.715 15.926 1.00 0.00 H new ATOM 0 H1' DC A 5 2.660 3.541 13.624 1.00 0.00 H new ATOM 0 H41 DC A 5 4.984 -2.654 13.868 1.00 0.00 H new ATOM 0 H42 DC A 5 3.234 -2.761 13.655 1.00 0.00 H new ATOM 0 H5 DC A 5 6.130 -0.517 14.230 1.00 0.00 H new ATOM 0 H6 DC A 5 5.832 1.908 14.405 1.00 0.00 H new ATOM 156 P DG A 6 1.937 6.814 16.539 1.00 0.00 P ATOM 157 OP1 DG A 6 1.463 8.097 15.970 1.00 0.00 O ATOM 158 OP2 DG A 6 2.610 6.834 17.856 1.00 0.00 O ATOM 159 O5' DG A 6 0.679 5.808 16.639 1.00 0.00 O ATOM 160 C5' DG A 6 -0.311 5.800 15.634 1.00 0.00 C ATOM 161 C4' DG A 6 -1.502 4.906 15.998 1.00 0.00 C ATOM 162 O4' DG A 6 -2.529 5.131 15.047 1.00 0.00 O ATOM 163 C3' DG A 6 -1.243 3.402 15.929 1.00 0.00 C ATOM 164 O3' DG A 6 -2.313 2.752 16.605 1.00 0.00 O ATOM 165 C2' DG A 6 -1.320 3.162 14.424 1.00 0.00 C ATOM 166 C1' DG A 6 -2.404 4.168 14.011 1.00 0.00 C ATOM 167 N9 DG A 6 -2.202 4.836 12.698 1.00 0.00 N ATOM 168 C8 DG A 6 -1.070 5.403 12.150 1.00 0.00 C ATOM 169 N7 DG A 6 -1.218 5.807 10.919 1.00 0.00 N ATOM 170 C5 DG A 6 -2.535 5.486 10.612 1.00 0.00 C ATOM 171 C6 DG A 6 -3.258 5.638 9.385 1.00 0.00 C ATOM 172 O6 DG A 6 -2.853 6.094 8.318 1.00 0.00 O ATOM 173 N1 DG A 6 -4.572 5.180 9.475 1.00 0.00 N ATOM 174 C2 DG A 6 -5.124 4.635 10.620 1.00 0.00 C ATOM 175 N2 DG A 6 -6.401 4.251 10.553 1.00 0.00 N ATOM 176 N3 DG A 6 -4.444 4.477 11.769 1.00 0.00 N ATOM 177 C4 DG A 6 -3.154 4.920 11.704 1.00 0.00 C ATOM 0 H5' DG A 6 0.127 5.454 14.698 1.00 0.00 H new ATOM 0 H5'' DG A 6 -0.662 6.818 15.465 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.742 5.168 17.028 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.313 3.048 16.375 1.00 0.00 H new ATOM 0 H2' DG A 6 -0.369 3.356 13.928 1.00 0.00 H new ATOM 0 H2'' DG A 6 -1.600 2.136 14.186 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.320 3.594 13.871 1.00 0.00 H new ATOM 0 H8 DG A 6 -0.142 5.504 12.693 1.00 0.00 H new ATOM 0 H1 DG A 6 -5.162 5.251 8.646 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.854 3.843 11.371 1.00 0.00 H new ATOM 0 H22 DG A 6 -6.923 4.366 9.684 1.00 0.00 H new ATOM 189 P DT A 7 -2.161 1.307 17.303 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.434 0.990 17.987 1.00 0.00 O ATOM 191 OP2 DT A 7 -0.902 1.300 18.081 1.00 0.00 O ATOM 192 O5' DT A 7 -1.975 0.302 16.053 1.00 0.00 O ATOM 193 C5' DT A 7 -3.040 -0.343 15.376 1.00 0.00 C ATOM 194 C4' DT A 7 -2.923 -1.869 15.513 1.00 0.00 C ATOM 195 O4' DT A 7 -1.606 -2.285 15.175 1.00 0.00 O ATOM 196 C3' DT A 7 -3.198 -2.361 16.940 1.00 0.00 C ATOM 197 O3' DT A 7 -4.007 -3.529 16.962 1.00 0.00 O ATOM 198 C2' DT A 7 -1.817 -2.662 17.505 1.00 0.00 C ATOM 199 C1' DT A 7 -1.011 -2.990 16.248 1.00 0.00 C ATOM 200 N1 DT A 7 0.438 -2.655 16.396 1.00 0.00 N ATOM 201 C2 DT A 7 1.367 -3.700 16.461 1.00 0.00 C ATOM 202 O2 DT A 7 1.081 -4.874 16.237 1.00 0.00 O ATOM 203 N3 DT A 7 2.667 -3.354 16.818 1.00 0.00 N ATOM 204 C4 DT A 7 3.117 -2.074 17.128 1.00 0.00 C ATOM 205 O4 DT A 7 4.291 -1.902 17.449 1.00 0.00 O ATOM 206 C5 DT A 7 2.098 -1.039 17.020 1.00 0.00 C ATOM 207 C7 DT A 7 2.444 0.410 17.320 1.00 0.00 C ATOM 208 C6 DT A 7 0.833 -1.358 16.649 1.00 0.00 C ATOM 0 H5' DT A 7 -3.029 -0.065 14.322 1.00 0.00 H new ATOM 0 H5'' DT A 7 -3.993 -0.008 15.784 1.00 0.00 H new ATOM 0 H4' DT A 7 -3.670 -2.292 14.841 1.00 0.00 H new ATOM 0 H3' DT A 7 -3.748 -1.618 17.518 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.403 -1.808 18.042 1.00 0.00 H new ATOM 0 H2'' DT A 7 -1.838 -3.498 18.204 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.036 -4.064 16.061 1.00 0.00 H new ATOM 0 H3 DT A 7 3.353 -4.108 16.856 1.00 0.00 H new ATOM 0 H71 DT A 7 1.814 1.066 16.720 1.00 0.00 H new ATOM 0 H72 DT A 7 2.276 0.613 18.378 1.00 0.00 H new ATOM 0 H73 DT A 7 3.491 0.592 17.078 1.00 0.00 H new ATOM 0 H6 DT A 7 0.107 -0.565 16.548 1.00 0.00 H new ATOM 221 P DG A 8 -5.625 -3.465 16.829 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.092 -2.184 17.405 1.00 0.00 O ATOM 223 OP2 DG A 8 -6.173 -4.737 17.351 1.00 0.00 O ATOM 224 O5' DG A 8 -5.894 -3.418 15.235 1.00 0.00 O ATOM 225 C5' DG A 8 -5.829 -4.585 14.435 1.00 0.00 C ATOM 226 C4' DG A 8 -5.748 -4.204 12.953 1.00 0.00 C ATOM 227 O4' DG A 8 -4.571 -3.469 12.698 1.00 0.00 O ATOM 228 C3' DG A 8 -5.691 -5.415 12.029 1.00 0.00 C ATOM 229 O3' DG A 8 -6.977 -5.896 11.695 1.00 0.00 O ATOM 230 C2' DG A 8 -4.980 -4.849 10.803 1.00 0.00 C ATOM 231 C1' DG A 8 -4.077 -3.762 11.403 1.00 0.00 C ATOM 232 N9 DG A 8 -2.656 -4.151 11.580 1.00 0.00 N ATOM 233 C8 DG A 8 -2.071 -5.393 11.590 1.00 0.00 C ATOM 234 N7 DG A 8 -0.813 -5.396 11.935 1.00 0.00 N ATOM 235 C5 DG A 8 -0.528 -4.055 12.176 1.00 0.00 C ATOM 236 C6 DG A 8 0.685 -3.420 12.606 1.00 0.00 C ATOM 237 O6 DG A 8 1.778 -3.924 12.857 1.00 0.00 O ATOM 238 N1 DG A 8 0.539 -2.043 12.746 1.00 0.00 N ATOM 239 C2 DG A 8 -0.638 -1.362 12.514 1.00 0.00 C ATOM 240 N2 DG A 8 -0.652 -0.073 12.825 1.00 0.00 N ATOM 241 N3 DG A 8 -1.769 -1.940 12.089 1.00 0.00 N ATOM 242 C4 DG A 8 -1.651 -3.289 11.943 1.00 0.00 C ATOM 0 H5' DG A 8 -6.708 -5.206 14.611 1.00 0.00 H new ATOM 0 H5'' DG A 8 -4.958 -5.178 14.714 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.652 -3.628 12.754 1.00 0.00 H new ATOM 0 H3' DG A 8 -5.191 -6.272 12.479 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.402 -5.613 10.283 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.685 -4.436 10.082 1.00 0.00 H new ATOM 0 HO3' DG A 8 -6.892 -6.671 11.101 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.100 -2.928 10.701 1.00 0.00 H new ATOM 0 H8 DG A 8 -2.608 -6.294 11.333 1.00 0.00 H new ATOM 0 H1 DG A 8 1.354 -1.503 13.039 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.496 0.479 12.674 1.00 0.00 H new ATOM 0 H22 DG A 8 0.182 0.367 13.215 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 9.088 1.474 7.599 1.00 0.00 NA HETATM 257 NA NA A 102 1.698 9.252 18.259 1.00 0.00 NA HETATM 258 NA NA A 103 -6.557 1.515 2.784 1.00 0.00 NA HETATM 259 NA NA A 104 -5.438 -0.217 18.763 1.00 0.00 NA HETATM 260 NA NA A 105 10.129 7.468 14.152 1.00 0.00 NA HETATM 261 NA NA A 106 4.495 5.291 4.597 1.00 0.00 NA HETATM 262 NA NA A 107 -0.312 5.526 8.357 1.00 0.00 NA