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 27:sc=0.000201 USER MOD Single : A 2 DT C7 :methyl -30:sc= 0 (180deg=-0.396) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.124 (180deg=-0.124) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -5.251 -5.025 6.249 1.00 0.00 O ATOM 2 C5' DC A 1 -6.003 -4.037 6.929 1.00 0.00 C ATOM 3 C4' DC A 1 -5.126 -2.868 7.395 1.00 0.00 C ATOM 4 O4' DC A 1 -4.113 -3.332 8.268 1.00 0.00 O ATOM 5 C3' DC A 1 -4.422 -2.121 6.250 1.00 0.00 C ATOM 6 O3' DC A 1 -4.959 -0.811 6.142 1.00 0.00 O ATOM 7 C2' DC A 1 -2.955 -2.114 6.683 1.00 0.00 C ATOM 8 C1' DC A 1 -3.022 -2.445 8.172 1.00 0.00 C ATOM 9 N1 DC A 1 -1.739 -3.029 8.658 1.00 0.00 N ATOM 10 C2 DC A 1 -0.704 -2.150 8.995 1.00 0.00 C ATOM 11 O2 DC A 1 -0.853 -0.933 8.904 1.00 0.00 O ATOM 12 N3 DC A 1 0.485 -2.662 9.429 1.00 0.00 N ATOM 13 C4 DC A 1 0.667 -3.985 9.546 1.00 0.00 C ATOM 14 N4 DC A 1 1.846 -4.435 9.987 1.00 0.00 N ATOM 15 C5 DC A 1 -0.385 -4.910 9.221 1.00 0.00 C ATOM 16 C6 DC A 1 -1.561 -4.391 8.786 1.00 0.00 C ATOM 0 H5' DC A 1 -6.497 -4.486 7.791 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.788 -3.662 6.272 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.812 -2.179 7.887 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.549 -2.577 5.268 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.371 -2.852 6.134 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.489 -1.144 6.508 1.00 0.00 H new ATOM 0 HO5' DC A 1 -4.324 -5.007 6.567 1.00 0.00 H new ATOM 0 H1' DC A 1 -3.164 -1.569 8.805 1.00 0.00 H new ATOM 0 H41 DC A 1 2.005 -5.438 10.083 1.00 0.00 H new ATOM 0 H42 DC A 1 2.586 -3.775 10.227 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.245 -5.976 9.319 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.373 -5.057 8.535 1.00 0.00 H new ATOM 29 P DT A 2 -4.744 0.124 4.835 1.00 0.00 P ATOM 30 OP1 DT A 2 -5.910 1.031 4.743 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.408 -0.725 3.670 1.00 0.00 O ATOM 32 O5' DT A 2 -3.452 1.014 5.200 1.00 0.00 O ATOM 33 C5' DT A 2 -3.148 2.210 4.501 1.00 0.00 C ATOM 34 C4' DT A 2 -1.905 2.896 5.085 1.00 0.00 C ATOM 35 O4' DT A 2 -2.177 3.254 6.435 1.00 0.00 O ATOM 36 C3' DT A 2 -0.671 1.976 5.061 1.00 0.00 C ATOM 37 O3' DT A 2 0.534 2.567 4.552 1.00 0.00 O ATOM 38 C2' DT A 2 -0.602 1.483 6.507 1.00 0.00 C ATOM 39 C1' DT A 2 -1.256 2.607 7.296 1.00 0.00 C ATOM 40 N1 DT A 2 -1.877 2.161 8.571 1.00 0.00 N ATOM 41 C2 DT A 2 -1.159 2.368 9.751 1.00 0.00 C ATOM 42 O2 DT A 2 -0.056 2.912 9.788 1.00 0.00 O ATOM 43 N3 DT A 2 -1.759 1.933 10.924 1.00 0.00 N ATOM 44 C4 DT A 2 -2.990 1.298 11.023 1.00 0.00 C ATOM 45 O4 DT A 2 -3.410 0.963 12.128 1.00 0.00 O ATOM 46 C5 DT A 2 -3.668 1.099 9.748 1.00 0.00 C ATOM 47 C7 DT A 2 -5.028 0.425 9.717 1.00 0.00 C ATOM 48 C6 DT A 2 -3.100 1.525 8.589 1.00 0.00 C ATOM 0 H5' DT A 2 -3.999 2.890 4.551 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.981 1.986 3.447 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.685 3.772 4.474 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.769 1.162 4.343 1.00 0.00 H new ATOM 0 H2' DT A 2 -1.134 0.540 6.636 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.427 1.315 6.825 1.00 0.00 H new ATOM 0 H1' DT A 2 -0.487 3.309 7.620 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.249 2.094 11.793 1.00 0.00 H new ATOM 0 H71 DT A 2 -5.104 -0.279 10.545 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.810 1.179 9.809 1.00 0.00 H new ATOM 0 H73 DT A 2 -5.148 -0.109 8.774 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.621 1.361 7.657 1.00 0.00 H new ATOM 61 P DT A 3 1.160 4.042 4.898 1.00 0.00 P ATOM 62 OP1 DT A 3 0.392 4.730 5.955 1.00 0.00 O ATOM 63 OP2 DT A 3 1.404 4.735 3.615 1.00 0.00 O ATOM 64 O5' DT A 3 2.609 3.690 5.510 1.00 0.00 O ATOM 65 C5' DT A 3 2.746 2.727 6.532 1.00 0.00 C ATOM 66 C4' DT A 3 4.195 2.540 6.985 1.00 0.00 C ATOM 67 O4' DT A 3 4.240 1.344 7.752 1.00 0.00 O ATOM 68 C3' DT A 3 5.192 2.357 5.832 1.00 0.00 C ATOM 69 O3' DT A 3 6.473 2.891 6.139 1.00 0.00 O ATOM 70 C2' DT A 3 5.251 0.848 5.652 1.00 0.00 C ATOM 71 C1' DT A 3 4.954 0.332 7.059 1.00 0.00 C ATOM 72 N1 DT A 3 4.223 -0.973 7.052 1.00 0.00 N ATOM 73 C2 DT A 3 4.902 -2.118 7.486 1.00 0.00 C ATOM 74 O2 DT A 3 6.051 -2.099 7.923 1.00 0.00 O ATOM 75 N3 DT A 3 4.214 -3.324 7.390 1.00 0.00 N ATOM 76 C4 DT A 3 2.946 -3.501 6.849 1.00 0.00 C ATOM 77 O4 DT A 3 2.455 -4.626 6.791 1.00 0.00 O ATOM 78 C5 DT A 3 2.322 -2.272 6.380 1.00 0.00 C ATOM 79 C7 DT A 3 0.945 -2.324 5.738 1.00 0.00 C ATOM 80 C6 DT A 3 2.964 -1.080 6.498 1.00 0.00 C ATOM 0 H5' DT A 3 2.355 1.773 6.179 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.139 3.024 7.387 1.00 0.00 H new ATOM 0 H4' DT A 3 4.481 3.440 7.530 1.00 0.00 H new ATOM 0 H3' DT A 3 4.883 2.886 4.930 1.00 0.00 H new ATOM 0 H2' DT A 3 4.516 0.497 4.928 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.228 0.520 5.298 1.00 0.00 H new ATOM 0 H1' DT A 3 5.892 0.122 7.573 1.00 0.00 H new ATOM 0 H3 DT A 3 4.684 -4.155 7.750 1.00 0.00 H new ATOM 0 H71 DT A 3 0.419 -1.389 5.930 1.00 0.00 H new ATOM 0 H72 DT A 3 1.050 -2.468 4.663 1.00 0.00 H new ATOM 0 H73 DT A 3 0.377 -3.153 6.161 1.00 0.00 H new ATOM 0 H6 DT A 3 2.472 -0.186 6.146 1.00 0.00 H new ATOM 93 P DG A 4 6.808 4.471 5.972 1.00 0.00 P ATOM 94 OP1 DG A 4 5.975 5.016 4.875 1.00 0.00 O ATOM 95 OP2 DG A 4 8.279 4.619 5.906 1.00 0.00 O ATOM 96 O5' DG A 4 6.293 5.131 7.356 1.00 0.00 O ATOM 97 C5' DG A 4 7.098 5.176 8.523 1.00 0.00 C ATOM 98 C4' DG A 4 6.278 4.783 9.750 1.00 0.00 C ATOM 99 O4' DG A 4 5.906 3.421 9.643 1.00 0.00 O ATOM 100 C3' DG A 4 7.080 4.907 11.053 1.00 0.00 C ATOM 101 O3' DG A 4 6.348 5.697 11.980 1.00 0.00 O ATOM 102 C2' DG A 4 7.203 3.460 11.513 1.00 0.00 C ATOM 103 C1' DG A 4 5.920 2.868 10.938 1.00 0.00 C ATOM 104 N9 DG A 4 5.922 1.390 10.857 1.00 0.00 N ATOM 105 C8 DG A 4 6.960 0.501 10.957 1.00 0.00 C ATOM 106 N7 DG A 4 6.595 -0.753 10.947 1.00 0.00 N ATOM 107 C5 DG A 4 5.208 -0.698 10.824 1.00 0.00 C ATOM 108 C6 DG A 4 4.232 -1.745 10.692 1.00 0.00 C ATOM 109 O6 DG A 4 4.394 -2.963 10.690 1.00 0.00 O ATOM 110 N1 DG A 4 2.945 -1.246 10.511 1.00 0.00 N ATOM 111 C2 DG A 4 2.628 0.096 10.491 1.00 0.00 C ATOM 112 N2 DG A 4 1.376 0.410 10.187 1.00 0.00 N ATOM 113 N3 DG A 4 3.520 1.077 10.680 1.00 0.00 N ATOM 114 C4 DG A 4 4.792 0.615 10.822 1.00 0.00 C ATOM 0 H5' DG A 4 7.503 6.179 8.655 1.00 0.00 H new ATOM 0 H5'' DG A 4 7.947 4.501 8.413 1.00 0.00 H new ATOM 0 H4' DG A 4 5.420 5.455 9.782 1.00 0.00 H new ATOM 0 H3' DG A 4 8.052 5.389 10.946 1.00 0.00 H new ATOM 0 H2' DG A 4 8.095 2.975 11.118 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.248 3.374 12.599 1.00 0.00 H new ATOM 0 H1' DG A 4 5.054 3.095 11.560 1.00 0.00 H new ATOM 0 H8 DG A 4 7.992 0.811 11.037 1.00 0.00 H new ATOM 0 H1 DG A 4 2.187 -1.917 10.385 1.00 0.00 H new ATOM 0 H21 DG A 4 1.088 1.388 10.158 1.00 0.00 H new ATOM 0 H22 DG A 4 0.701 -0.327 9.982 1.00 0.00 H new ATOM 126 P DC A 5 7.071 6.532 13.162 1.00 0.00 P ATOM 127 OP1 DC A 5 6.048 7.379 13.820 1.00 0.00 O ATOM 128 OP2 DC A 5 8.296 7.157 12.613 1.00 0.00 O ATOM 129 O5' DC A 5 7.514 5.362 14.193 1.00 0.00 O ATOM 130 C5' DC A 5 6.716 4.967 15.296 1.00 0.00 C ATOM 131 C4' DC A 5 5.333 4.432 14.900 1.00 0.00 C ATOM 132 O4' DC A 5 5.406 3.182 14.262 1.00 0.00 O ATOM 133 C3' DC A 5 4.465 4.222 16.136 1.00 0.00 C ATOM 134 O3' DC A 5 3.652 5.368 16.293 1.00 0.00 O ATOM 135 C2' DC A 5 3.697 2.934 15.833 1.00 0.00 C ATOM 136 C1' DC A 5 4.157 2.545 14.427 1.00 0.00 C ATOM 137 N1 DC A 5 4.266 1.066 14.284 1.00 0.00 N ATOM 138 C2 DC A 5 3.103 0.340 14.005 1.00 0.00 C ATOM 139 O2 DC A 5 2.022 0.906 13.857 1.00 0.00 O ATOM 140 N3 DC A 5 3.183 -1.018 13.913 1.00 0.00 N ATOM 141 C4 DC A 5 4.346 -1.658 14.084 1.00 0.00 C ATOM 142 N4 DC A 5 4.353 -2.989 13.983 1.00 0.00 N ATOM 143 C5 DC A 5 5.559 -0.937 14.361 1.00 0.00 C ATOM 144 C6 DC A 5 5.471 0.415 14.452 1.00 0.00 C ATOM 0 H5' DC A 5 6.588 5.819 15.964 1.00 0.00 H new ATOM 0 H5'' DC A 5 7.245 4.198 15.859 1.00 0.00 H new ATOM 0 H4' DC A 5 4.912 5.177 14.225 1.00 0.00 H new ATOM 0 H3' DC A 5 4.999 4.110 17.080 1.00 0.00 H new ATOM 0 H2' DC A 5 3.927 2.153 16.558 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.620 3.095 15.869 1.00 0.00 H new ATOM 0 H1' DC A 5 3.445 2.856 13.662 1.00 0.00 H new ATOM 0 H41 DC A 5 5.224 -3.505 14.108 1.00 0.00 H new ATOM 0 H42 DC A 5 3.488 -3.490 13.781 1.00 0.00 H new ATOM 0 H5 DC A 5 6.501 -1.449 14.491 1.00 0.00 H new ATOM 0 H6 DC A 5 6.360 0.991 14.660 1.00 0.00 H new ATOM 156 P DG A 6 2.692 5.605 17.567 1.00 0.00 P ATOM 157 OP1 DG A 6 2.514 7.066 17.714 1.00 0.00 O ATOM 158 OP2 DG A 6 3.182 4.798 18.706 1.00 0.00 O ATOM 159 O5' DG A 6 1.306 4.958 17.075 1.00 0.00 O ATOM 160 C5' DG A 6 0.623 5.456 15.944 1.00 0.00 C ATOM 161 C4' DG A 6 -0.748 4.787 15.862 1.00 0.00 C ATOM 162 O4' DG A 6 -1.462 5.289 14.744 1.00 0.00 O ATOM 163 C3' DG A 6 -0.690 3.274 15.662 1.00 0.00 C ATOM 164 O3' DG A 6 -1.935 2.756 16.098 1.00 0.00 O ATOM 165 C2' DG A 6 -0.557 3.155 14.153 1.00 0.00 C ATOM 166 C1' DG A 6 -1.432 4.325 13.702 1.00 0.00 C ATOM 167 N9 DG A 6 -1.000 4.972 12.440 1.00 0.00 N ATOM 168 C8 DG A 6 0.240 5.450 12.083 1.00 0.00 C ATOM 169 N7 DG A 6 0.293 5.941 10.875 1.00 0.00 N ATOM 170 C5 DG A 6 -0.996 5.757 10.378 1.00 0.00 C ATOM 171 C6 DG A 6 -1.538 6.040 9.082 1.00 0.00 C ATOM 172 O6 DG A 6 -0.979 6.562 8.122 1.00 0.00 O ATOM 173 N1 DG A 6 -2.865 5.632 8.952 1.00 0.00 N ATOM 174 C2 DG A 6 -3.596 5.043 9.968 1.00 0.00 C ATOM 175 N2 DG A 6 -4.847 4.677 9.680 1.00 0.00 N ATOM 176 N3 DG A 6 -3.103 4.805 11.194 1.00 0.00 N ATOM 177 C4 DG A 6 -1.795 5.171 11.335 1.00 0.00 C ATOM 0 H5' DG A 6 1.196 5.255 15.039 1.00 0.00 H new ATOM 0 H5'' DG A 6 0.511 6.538 16.017 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.225 5.006 16.817 1.00 0.00 H new ATOM 0 H3' DG A 6 0.104 2.750 16.193 1.00 0.00 H new ATOM 0 H2' DG A 6 0.475 3.257 13.819 1.00 0.00 H new ATOM 0 H2'' DG A 6 -0.920 2.198 13.779 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.420 3.914 13.494 1.00 0.00 H new ATOM 0 H8 DG A 6 1.094 5.421 12.744 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.325 5.777 8.053 1.00 0.00 H new ATOM 0 H21 DG A 6 -5.427 4.238 10.395 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.222 4.836 8.745 1.00 0.00 H new ATOM 189 P DT A 7 -2.085 1.752 17.349 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.427 1.943 17.942 1.00 0.00 O ATOM 191 OP2 DT A 7 -0.879 1.849 18.204 1.00 0.00 O ATOM 192 O5' DT A 7 -2.065 0.335 16.599 1.00 0.00 O ATOM 193 C5' DT A 7 -3.023 -0.009 15.614 1.00 0.00 C ATOM 194 C4' DT A 7 -3.220 -1.526 15.562 1.00 0.00 C ATOM 195 O4' DT A 7 -2.010 -2.148 15.163 1.00 0.00 O ATOM 196 C3' DT A 7 -3.610 -2.100 16.932 1.00 0.00 C ATOM 197 O3' DT A 7 -4.651 -3.062 16.864 1.00 0.00 O ATOM 198 C2' DT A 7 -2.326 -2.740 17.439 1.00 0.00 C ATOM 199 C1' DT A 7 -1.567 -3.058 16.151 1.00 0.00 C ATOM 200 N1 DT A 7 -0.092 -2.965 16.351 1.00 0.00 N ATOM 201 C2 DT A 7 0.624 -4.146 16.570 1.00 0.00 C ATOM 202 O2 DT A 7 0.142 -5.267 16.418 1.00 0.00 O ATOM 203 N3 DT A 7 1.941 -4.003 17.002 1.00 0.00 N ATOM 204 C4 DT A 7 2.586 -2.799 17.263 1.00 0.00 C ATOM 205 O4 DT A 7 3.742 -2.803 17.680 1.00 0.00 O ATOM 206 C5 DT A 7 1.778 -1.616 16.998 1.00 0.00 C ATOM 207 C7 DT A 7 2.350 -0.233 17.257 1.00 0.00 C ATOM 208 C6 DT A 7 0.508 -1.736 16.536 1.00 0.00 C ATOM 0 H5' DT A 7 -2.697 0.355 14.639 1.00 0.00 H new ATOM 0 H5'' DT A 7 -3.972 0.479 15.836 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.023 -1.723 14.851 1.00 0.00 H new ATOM 0 H3' DT A 7 -4.002 -1.320 17.585 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.764 -2.062 18.082 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.526 -3.639 18.022 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.768 -4.083 15.839 1.00 0.00 H new ATOM 0 H3 DT A 7 2.480 -4.858 17.139 1.00 0.00 H new ATOM 0 H71 DT A 7 1.904 0.481 16.564 1.00 0.00 H new ATOM 0 H72 DT A 7 2.126 0.067 18.281 1.00 0.00 H new ATOM 0 H73 DT A 7 3.430 -0.253 17.113 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.051 -0.841 16.306 1.00 0.00 H new ATOM 221 P DG A 8 -6.201 -2.645 16.630 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.376 -1.225 17.016 1.00 0.00 O ATOM 223 OP2 DG A 8 -7.055 -3.682 17.252 1.00 0.00 O ATOM 224 O5' DG A 8 -6.366 -2.747 15.030 1.00 0.00 O ATOM 225 C5' DG A 8 -6.412 -4.001 14.375 1.00 0.00 C ATOM 226 C4' DG A 8 -6.007 -3.842 12.910 1.00 0.00 C ATOM 227 O4' DG A 8 -4.702 -3.311 12.807 1.00 0.00 O ATOM 228 C3' DG A 8 -5.964 -5.176 12.168 1.00 0.00 C ATOM 229 O3' DG A 8 -7.235 -5.554 11.677 1.00 0.00 O ATOM 230 C2' DG A 8 -5.008 -4.859 11.025 1.00 0.00 C ATOM 231 C1' DG A 8 -4.088 -3.786 11.624 1.00 0.00 C ATOM 232 N9 DG A 8 -2.735 -4.263 12.006 1.00 0.00 N ATOM 233 C8 DG A 8 -2.279 -5.531 12.275 1.00 0.00 C ATOM 234 N7 DG A 8 -1.036 -5.584 12.663 1.00 0.00 N ATOM 235 C5 DG A 8 -0.630 -4.253 12.673 1.00 0.00 C ATOM 236 C6 DG A 8 0.626 -3.667 13.042 1.00 0.00 C ATOM 237 O6 DG A 8 1.655 -4.224 13.418 1.00 0.00 O ATOM 238 N1 DG A 8 0.607 -2.278 12.951 1.00 0.00 N ATOM 239 C2 DG A 8 -0.493 -1.541 12.560 1.00 0.00 C ATOM 240 N2 DG A 8 -0.393 -0.220 12.644 1.00 0.00 N ATOM 241 N3 DG A 8 -1.656 -2.083 12.174 1.00 0.00 N ATOM 242 C4 DG A 8 -1.665 -3.442 12.264 1.00 0.00 C ATOM 0 H5' DG A 8 -7.417 -4.417 14.440 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.743 -4.704 14.871 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.758 -3.184 12.473 1.00 0.00 H new ATOM 0 H3' DG A 8 -5.656 -6.012 12.796 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.448 -5.740 10.712 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.538 -4.490 10.147 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.163 -6.411 11.208 1.00 0.00 H new ATOM 0 H1' DG A 8 -3.954 -3.031 10.849 1.00 0.00 H new ATOM 0 H8 DG A 8 -2.899 -6.410 12.173 1.00 0.00 H new ATOM 0 H1 DG A 8 1.460 -1.772 13.188 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.178 0.370 12.367 1.00 0.00 H new ATOM 0 H22 DG A 8 0.469 0.205 12.985 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 10.136 5.304 7.382 1.00 0.00 NA HETATM 257 NA NA A 102 1.224 3.036 18.899 1.00 0.00 NA HETATM 258 NA NA A 103 -6.176 0.480 2.221 1.00 0.00 NA HETATM 259 NA NA A 104 -5.721 1.070 17.663 1.00 0.00 NA HETATM 260 NA NA A 105 4.424 7.791 15.774 1.00 0.00 NA HETATM 261 NA NA A 106 3.933 4.896 3.454 1.00 0.00 NA HETATM 262 NA NA A 107 1.453 5.946 7.872 1.00 0.00 NA