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=-0.435) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.0516 (180deg=-0.0516) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -4.680 -5.212 6.315 1.00 0.00 O ATOM 2 C5' DC A 1 -5.628 -4.335 6.895 1.00 0.00 C ATOM 3 C4' DC A 1 -4.965 -3.052 7.416 1.00 0.00 C ATOM 4 O4' DC A 1 -4.011 -3.383 8.410 1.00 0.00 O ATOM 5 C3' DC A 1 -4.243 -2.254 6.320 1.00 0.00 C ATOM 6 O3' DC A 1 -4.826 -0.964 6.204 1.00 0.00 O ATOM 7 C2' DC A 1 -2.804 -2.182 6.821 1.00 0.00 C ATOM 8 C1' DC A 1 -2.927 -2.484 8.313 1.00 0.00 C ATOM 9 N1 DC A 1 -1.652 -3.050 8.837 1.00 0.00 N ATOM 10 C2 DC A 1 -0.623 -2.159 9.169 1.00 0.00 C ATOM 11 O2 DC A 1 -0.780 -0.944 9.072 1.00 0.00 O ATOM 12 N3 DC A 1 0.571 -2.663 9.601 1.00 0.00 N ATOM 13 C4 DC A 1 0.764 -3.984 9.719 1.00 0.00 C ATOM 14 N4 DC A 1 1.951 -4.421 10.150 1.00 0.00 N ATOM 15 C5 DC A 1 -0.284 -4.918 9.407 1.00 0.00 C ATOM 16 C6 DC A 1 -1.463 -4.409 8.972 1.00 0.00 C ATOM 0 H5' DC A 1 -6.138 -4.840 7.715 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.387 -4.079 6.156 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.768 -2.431 7.813 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.308 -2.704 5.329 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.167 -2.908 6.316 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.367 -1.199 6.646 1.00 0.00 H new ATOM 0 HO5' DC A 1 -5.134 -6.019 5.995 1.00 0.00 H new ATOM 0 H1' DC A 1 -3.110 -1.595 8.917 1.00 0.00 H new ATOM 0 H41 DC A 1 2.121 -5.422 10.248 1.00 0.00 H new ATOM 0 H42 DC A 1 2.687 -3.754 10.381 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.138 -5.983 9.515 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.271 -5.082 8.726 1.00 0.00 H new ATOM 29 P DT A 2 -4.667 -0.043 4.878 1.00 0.00 P ATOM 30 OP1 DT A 2 -5.867 0.819 4.796 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.331 -0.903 3.720 1.00 0.00 O ATOM 32 O5' DT A 2 -3.397 0.898 5.192 1.00 0.00 O ATOM 33 C5' DT A 2 -3.148 2.082 4.451 1.00 0.00 C ATOM 34 C4' DT A 2 -1.923 2.840 4.987 1.00 0.00 C ATOM 35 O4' DT A 2 -2.177 3.214 6.337 1.00 0.00 O ATOM 36 C3' DT A 2 -0.645 1.989 4.950 1.00 0.00 C ATOM 37 O3' DT A 2 0.521 2.651 4.434 1.00 0.00 O ATOM 38 C2' DT A 2 -0.542 1.499 6.393 1.00 0.00 C ATOM 39 C1' DT A 2 -1.209 2.616 7.181 1.00 0.00 C ATOM 40 N1 DT A 2 -1.772 2.173 8.480 1.00 0.00 N ATOM 41 C2 DT A 2 -1.002 2.393 9.625 1.00 0.00 C ATOM 42 O2 DT A 2 0.099 2.942 9.603 1.00 0.00 O ATOM 43 N3 DT A 2 -1.550 1.964 10.826 1.00 0.00 N ATOM 44 C4 DT A 2 -2.797 1.376 10.988 1.00 0.00 C ATOM 45 O4 DT A 2 -3.189 1.089 12.117 1.00 0.00 O ATOM 46 C5 DT A 2 -3.526 1.161 9.746 1.00 0.00 C ATOM 47 C7 DT A 2 -4.896 0.510 9.782 1.00 0.00 C ATOM 48 C6 DT A 2 -2.996 1.547 8.555 1.00 0.00 C ATOM 0 H5' DT A 2 -4.024 2.729 4.494 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.990 1.829 3.403 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.764 3.710 4.349 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.700 1.171 4.232 1.00 0.00 H new ATOM 0 H2' DT A 2 -1.052 0.546 6.533 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.495 1.354 6.697 1.00 0.00 H new ATOM 0 H1' DT A 2 -0.457 3.351 7.468 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.985 2.092 11.666 1.00 0.00 H new ATOM 0 H71 DT A 2 -4.951 -0.175 10.628 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.662 1.279 9.887 1.00 0.00 H new ATOM 0 H73 DT A 2 -5.061 -0.042 8.857 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.548 1.358 7.646 1.00 0.00 H new ATOM 61 P DT A 3 1.063 4.166 4.765 1.00 0.00 P ATOM 62 OP1 DT A 3 0.258 4.830 5.810 1.00 0.00 O ATOM 63 OP2 DT A 3 1.280 4.858 3.476 1.00 0.00 O ATOM 64 O5' DT A 3 2.523 3.899 5.395 1.00 0.00 O ATOM 65 C5' DT A 3 2.704 2.939 6.414 1.00 0.00 C ATOM 66 C4' DT A 3 4.152 2.846 6.890 1.00 0.00 C ATOM 67 O4' DT A 3 4.260 1.682 7.699 1.00 0.00 O ATOM 68 C3' DT A 3 5.160 2.682 5.746 1.00 0.00 C ATOM 69 O3' DT A 3 6.410 3.292 6.038 1.00 0.00 O ATOM 70 C2' DT A 3 5.294 1.174 5.610 1.00 0.00 C ATOM 71 C1' DT A 3 5.034 0.692 7.038 1.00 0.00 C ATOM 72 N1 DT A 3 4.385 -0.655 7.079 1.00 0.00 N ATOM 73 C2 DT A 3 5.160 -1.751 7.480 1.00 0.00 C ATOM 74 O2 DT A 3 6.337 -1.659 7.819 1.00 0.00 O ATOM 75 N3 DT A 3 4.536 -2.994 7.463 1.00 0.00 N ATOM 76 C4 DT A 3 3.247 -3.256 7.016 1.00 0.00 C ATOM 77 O4 DT A 3 2.817 -4.408 7.028 1.00 0.00 O ATOM 78 C5 DT A 3 2.528 -2.079 6.549 1.00 0.00 C ATOM 79 C7 DT A 3 1.128 -2.233 5.981 1.00 0.00 C ATOM 80 C6 DT A 3 3.103 -0.849 6.599 1.00 0.00 C ATOM 0 H5' DT A 3 2.383 1.963 6.049 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.064 3.189 7.260 1.00 0.00 H new ATOM 0 H4' DT A 3 4.383 3.774 7.414 1.00 0.00 H new ATOM 0 H3' DT A 3 4.829 3.168 4.828 1.00 0.00 H new ATOM 0 H2' DT A 3 4.571 0.764 4.905 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.284 0.884 5.257 1.00 0.00 H new ATOM 0 H1' DT A 3 5.984 0.561 7.556 1.00 0.00 H new ATOM 0 H3 DT A 3 5.075 -3.787 7.811 1.00 0.00 H new ATOM 0 H71 DT A 3 0.555 -1.326 6.175 1.00 0.00 H new ATOM 0 H72 DT A 3 1.188 -2.401 4.906 1.00 0.00 H new ATOM 0 H73 DT A 3 0.635 -3.082 6.454 1.00 0.00 H new ATOM 0 H6 DT A 3 2.540 0.005 6.252 1.00 0.00 H new ATOM 93 P DG A 4 6.629 4.897 5.931 1.00 0.00 P ATOM 94 OP1 DG A 4 5.713 5.433 4.900 1.00 0.00 O ATOM 95 OP2 DG A 4 8.084 5.149 5.812 1.00 0.00 O ATOM 96 O5' DG A 4 6.134 5.457 7.367 1.00 0.00 O ATOM 97 C5' DG A 4 6.975 5.460 8.508 1.00 0.00 C ATOM 98 C4' DG A 4 6.207 4.989 9.744 1.00 0.00 C ATOM 99 O4' DG A 4 5.822 3.634 9.577 1.00 0.00 O ATOM 100 C3' DG A 4 7.081 5.044 11.006 1.00 0.00 C ATOM 101 O3' DG A 4 6.405 5.757 12.031 1.00 0.00 O ATOM 102 C2' DG A 4 7.242 3.571 11.355 1.00 0.00 C ATOM 103 C1' DG A 4 5.928 3.006 10.834 1.00 0.00 C ATOM 104 N9 DG A 4 5.939 1.530 10.718 1.00 0.00 N ATOM 105 C8 DG A 4 6.994 0.653 10.760 1.00 0.00 C ATOM 106 N7 DG A 4 6.646 -0.604 10.778 1.00 0.00 N ATOM 107 C5 DG A 4 5.256 -0.570 10.736 1.00 0.00 C ATOM 108 C6 DG A 4 4.293 -1.634 10.684 1.00 0.00 C ATOM 109 O6 DG A 4 4.480 -2.849 10.679 1.00 0.00 O ATOM 110 N1 DG A 4 2.987 -1.160 10.610 1.00 0.00 N ATOM 111 C2 DG A 4 2.646 0.176 10.612 1.00 0.00 C ATOM 112 N2 DG A 4 1.357 0.463 10.496 1.00 0.00 N ATOM 113 N3 DG A 4 3.532 1.176 10.699 1.00 0.00 N ATOM 114 C4 DG A 4 4.821 0.737 10.743 1.00 0.00 C ATOM 0 H5' DG A 4 7.365 6.464 8.676 1.00 0.00 H new ATOM 0 H5'' DG A 4 7.832 4.809 8.336 1.00 0.00 H new ATOM 0 H4' DG A 4 5.346 5.648 9.856 1.00 0.00 H new ATOM 0 H3' DG A 4 8.036 5.553 10.874 1.00 0.00 H new ATOM 0 H2' DG A 4 8.107 3.123 10.866 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.364 3.412 12.426 1.00 0.00 H new ATOM 0 H1' DG A 4 5.086 3.197 11.499 1.00 0.00 H new ATOM 0 H8 DG A 4 8.024 0.976 10.777 1.00 0.00 H new ATOM 0 H1 DG A 4 2.233 -1.845 10.550 1.00 0.00 H new ATOM 0 H21 DG A 4 1.049 1.436 10.492 1.00 0.00 H new ATOM 0 H22 DG A 4 0.673 -0.289 10.411 1.00 0.00 H new ATOM 126 P DC A 5 7.193 6.419 13.281 1.00 0.00 P ATOM 127 OP1 DC A 5 6.222 7.225 14.057 1.00 0.00 O ATOM 128 OP2 DC A 5 8.428 7.055 12.769 1.00 0.00 O ATOM 129 O5' DC A 5 7.616 5.127 14.163 1.00 0.00 O ATOM 130 C5' DC A 5 6.822 4.629 15.227 1.00 0.00 C ATOM 131 C4' DC A 5 5.427 4.151 14.797 1.00 0.00 C ATOM 132 O4' DC A 5 5.453 2.895 14.156 1.00 0.00 O ATOM 133 C3' DC A 5 4.538 3.979 16.026 1.00 0.00 C ATOM 134 O3' DC A 5 3.762 5.153 16.167 1.00 0.00 O ATOM 135 C2' DC A 5 3.734 2.715 15.729 1.00 0.00 C ATOM 136 C1' DC A 5 4.177 2.306 14.324 1.00 0.00 C ATOM 137 N1 DC A 5 4.211 0.822 14.191 1.00 0.00 N ATOM 138 C2 DC A 5 3.002 0.148 13.970 1.00 0.00 C ATOM 139 O2 DC A 5 1.944 0.762 13.856 1.00 0.00 O ATOM 140 N3 DC A 5 3.013 -1.213 13.894 1.00 0.00 N ATOM 141 C4 DC A 5 4.151 -1.908 14.028 1.00 0.00 C ATOM 142 N4 DC A 5 4.091 -3.239 13.949 1.00 0.00 N ATOM 143 C5 DC A 5 5.406 -1.242 14.248 1.00 0.00 C ATOM 144 C6 DC A 5 5.387 0.114 14.321 1.00 0.00 C ATOM 0 H5' DC A 5 6.711 5.410 15.980 1.00 0.00 H new ATOM 0 H5'' DC A 5 7.348 3.801 15.702 1.00 0.00 H new ATOM 0 H4' DC A 5 5.051 4.907 14.108 1.00 0.00 H new ATOM 0 H3' DC A 5 5.058 3.857 16.976 1.00 0.00 H new ATOM 0 H2' DC A 5 3.943 1.930 16.456 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.662 2.907 15.768 1.00 0.00 H new ATOM 0 H1' DC A 5 3.487 2.645 13.551 1.00 0.00 H new ATOM 0 H41 DC A 5 4.941 -3.795 14.047 1.00 0.00 H new ATOM 0 H42 DC A 5 3.195 -3.701 13.791 1.00 0.00 H new ATOM 0 H5 DC A 5 6.326 -1.797 14.351 1.00 0.00 H new ATOM 0 H6 DC A 5 6.311 0.648 14.484 1.00 0.00 H new ATOM 156 P DG A 6 2.803 5.430 17.435 1.00 0.00 P ATOM 157 OP1 DG A 6 2.674 6.897 17.578 1.00 0.00 O ATOM 158 OP2 DG A 6 3.258 4.613 18.582 1.00 0.00 O ATOM 159 O5' DG A 6 1.396 4.831 16.944 1.00 0.00 O ATOM 160 C5' DG A 6 0.722 5.357 15.821 1.00 0.00 C ATOM 161 C4' DG A 6 -0.661 4.713 15.744 1.00 0.00 C ATOM 162 O4' DG A 6 -1.373 5.208 14.622 1.00 0.00 O ATOM 163 C3' DG A 6 -0.631 3.201 15.553 1.00 0.00 C ATOM 164 O3' DG A 6 -1.900 2.717 15.951 1.00 0.00 O ATOM 165 C2' DG A 6 -0.468 3.068 14.049 1.00 0.00 C ATOM 166 C1' DG A 6 -1.335 4.239 13.584 1.00 0.00 C ATOM 167 N9 DG A 6 -0.894 4.900 12.331 1.00 0.00 N ATOM 168 C8 DG A 6 0.350 5.379 11.991 1.00 0.00 C ATOM 169 N7 DG A 6 0.406 5.923 10.806 1.00 0.00 N ATOM 170 C5 DG A 6 -0.886 5.778 10.306 1.00 0.00 C ATOM 171 C6 DG A 6 -1.426 6.133 9.028 1.00 0.00 C ATOM 172 O6 DG A 6 -0.858 6.694 8.095 1.00 0.00 O ATOM 173 N1 DG A 6 -2.757 5.747 8.879 1.00 0.00 N ATOM 174 C2 DG A 6 -3.492 5.110 9.863 1.00 0.00 C ATOM 175 N2 DG A 6 -4.743 4.763 9.552 1.00 0.00 N ATOM 176 N3 DG A 6 -3.000 4.806 11.076 1.00 0.00 N ATOM 177 C4 DG A 6 -1.690 5.154 11.236 1.00 0.00 C ATOM 0 H5' DG A 6 1.286 5.154 14.911 1.00 0.00 H new ATOM 0 H5'' DG A 6 0.632 6.440 15.906 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.127 4.957 16.699 1.00 0.00 H new ATOM 0 H3' DG A 6 0.139 2.666 16.109 1.00 0.00 H new ATOM 0 H2' DG A 6 0.570 3.166 13.732 1.00 0.00 H new ATOM 0 H2'' DG A 6 -0.826 2.109 13.674 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.314 3.816 13.361 1.00 0.00 H new ATOM 0 H8 DG A 6 1.205 5.311 12.647 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.217 5.946 7.991 1.00 0.00 H new ATOM 0 H21 DG A 6 -5.328 4.291 10.242 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.114 4.970 8.625 1.00 0.00 H new ATOM 189 P DT A 7 -2.131 1.822 17.266 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.482 2.109 17.796 1.00 0.00 O ATOM 191 OP2 DT A 7 -0.949 1.929 18.152 1.00 0.00 O ATOM 192 O5' DT A 7 -2.144 0.364 16.600 1.00 0.00 O ATOM 193 C5' DT A 7 -3.089 0.004 15.609 1.00 0.00 C ATOM 194 C4' DT A 7 -3.324 -1.506 15.617 1.00 0.00 C ATOM 195 O4' DT A 7 -2.139 -2.174 15.225 1.00 0.00 O ATOM 196 C3' DT A 7 -3.706 -2.009 17.018 1.00 0.00 C ATOM 197 O3' DT A 7 -4.800 -2.912 17.015 1.00 0.00 O ATOM 198 C2' DT A 7 -2.442 -2.691 17.523 1.00 0.00 C ATOM 199 C1' DT A 7 -1.712 -3.065 16.233 1.00 0.00 C ATOM 200 N1 DT A 7 -0.230 -3.005 16.385 1.00 0.00 N ATOM 201 C2 DT A 7 0.479 -4.210 16.485 1.00 0.00 C ATOM 202 O2 DT A 7 -0.035 -5.313 16.309 1.00 0.00 O ATOM 203 N3 DT A 7 1.827 -4.109 16.812 1.00 0.00 N ATOM 204 C4 DT A 7 2.513 -2.932 17.089 1.00 0.00 C ATOM 205 O4 DT A 7 3.701 -2.976 17.402 1.00 0.00 O ATOM 206 C5 DT A 7 1.707 -1.724 16.963 1.00 0.00 C ATOM 207 C7 DT A 7 2.327 -0.369 17.251 1.00 0.00 C ATOM 208 C6 DT A 7 0.403 -1.797 16.594 1.00 0.00 C ATOM 0 H5' DT A 7 -2.733 0.317 14.628 1.00 0.00 H new ATOM 0 H5'' DT A 7 -4.029 0.525 15.788 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.140 -1.714 14.925 1.00 0.00 H new ATOM 0 H3' DT A 7 -4.040 -1.186 17.650 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.845 -2.024 18.145 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.671 -3.570 18.126 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.953 -4.096 15.972 1.00 0.00 H new ATOM 0 H3 DT A 7 2.361 -4.977 16.852 1.00 0.00 H new ATOM 0 H71 DT A 7 1.839 0.391 16.642 1.00 0.00 H new ATOM 0 H72 DT A 7 2.198 -0.127 18.306 1.00 0.00 H new ATOM 0 H73 DT A 7 3.390 -0.397 17.013 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.156 -0.883 16.460 1.00 0.00 H new ATOM 221 P DG A 8 -6.323 -2.425 16.745 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.425 -0.982 17.064 1.00 0.00 O ATOM 223 OP2 DG A 8 -7.237 -3.384 17.402 1.00 0.00 O ATOM 224 O5' DG A 8 -6.481 -2.589 15.148 1.00 0.00 O ATOM 225 C5' DG A 8 -6.556 -3.865 14.543 1.00 0.00 C ATOM 226 C4' DG A 8 -6.223 -3.754 13.054 1.00 0.00 C ATOM 227 O4' DG A 8 -4.912 -3.262 12.875 1.00 0.00 O ATOM 228 C3' DG A 8 -6.255 -5.101 12.337 1.00 0.00 C ATOM 229 O3' DG A 8 -7.560 -5.449 11.920 1.00 0.00 O ATOM 230 C2' DG A 8 -5.342 -4.839 11.144 1.00 0.00 C ATOM 231 C1' DG A 8 -4.358 -3.793 11.686 1.00 0.00 C ATOM 232 N9 DG A 8 -3.018 -4.320 12.042 1.00 0.00 N ATOM 233 C8 DG A 8 -2.607 -5.607 12.292 1.00 0.00 C ATOM 234 N7 DG A 8 -1.364 -5.709 12.673 1.00 0.00 N ATOM 235 C5 DG A 8 -0.912 -4.394 12.701 1.00 0.00 C ATOM 236 C6 DG A 8 0.366 -3.857 13.070 1.00 0.00 C ATOM 237 O6 DG A 8 1.381 -4.455 13.420 1.00 0.00 O ATOM 238 N1 DG A 8 0.392 -2.465 13.013 1.00 0.00 N ATOM 239 C2 DG A 8 -0.684 -1.686 12.638 1.00 0.00 C ATOM 240 N2 DG A 8 -0.543 -0.370 12.755 1.00 0.00 N ATOM 241 N3 DG A 8 -1.865 -2.181 12.242 1.00 0.00 N ATOM 242 C4 DG A 8 -1.920 -3.541 12.309 1.00 0.00 C ATOM 0 H5' DG A 8 -7.556 -4.280 14.671 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.862 -4.550 15.030 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.980 -3.088 12.640 1.00 0.00 H new ATOM 0 H3' DG A 8 -5.942 -5.935 12.964 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.830 -5.745 10.821 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.898 -4.463 10.285 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.537 -6.316 11.464 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.216 -3.066 10.887 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.258 -6.462 12.182 1.00 0.00 H new ATOM 0 H1 DG A 8 1.260 -1.992 13.264 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.309 0.250 12.491 1.00 0.00 H new ATOM 0 H22 DG A 8 0.331 0.020 13.108 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 10.143 5.188 7.159 1.00 0.00 NA HETATM 257 NA NA A 102 1.121 3.120 18.942 1.00 0.00 NA HETATM 258 NA NA A 103 -6.494 -0.241 2.504 1.00 0.00 NA HETATM 259 NA NA A 104 -5.821 1.387 17.405 1.00 0.00 NA HETATM 260 NA NA A 105 4.580 7.666 15.914 1.00 0.00 NA HETATM 261 NA NA A 106 3.599 5.799 3.675 1.00 0.00 NA HETATM 262 NA NA A 107 1.344 5.373 8.101 1.00 0.00 NA