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= -0.137 (180deg=-0.199) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.0787 (180deg=-0.0787) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -5.137 -4.853 6.201 1.00 0.00 O ATOM 2 C5' DC A 1 -5.890 -3.939 6.974 1.00 0.00 C ATOM 3 C4' DC A 1 -5.008 -2.819 7.537 1.00 0.00 C ATOM 4 O4' DC A 1 -3.990 -3.359 8.362 1.00 0.00 O ATOM 5 C3' DC A 1 -4.308 -1.978 6.455 1.00 0.00 C ATOM 6 O3' DC A 1 -4.789 -0.644 6.516 1.00 0.00 O ATOM 7 C2' DC A 1 -2.836 -2.060 6.853 1.00 0.00 C ATOM 8 C1' DC A 1 -2.902 -2.460 8.325 1.00 0.00 C ATOM 9 N1 DC A 1 -1.610 -3.041 8.790 1.00 0.00 N ATOM 10 C2 DC A 1 -0.573 -2.159 9.121 1.00 0.00 C ATOM 11 O2 DC A 1 -0.721 -0.943 9.025 1.00 0.00 O ATOM 12 N3 DC A 1 0.615 -2.669 9.560 1.00 0.00 N ATOM 13 C4 DC A 1 0.797 -3.989 9.688 1.00 0.00 C ATOM 14 N4 DC A 1 1.979 -4.434 10.128 1.00 0.00 N ATOM 15 C5 DC A 1 -0.256 -4.917 9.370 1.00 0.00 C ATOM 16 C6 DC A 1 -1.432 -4.401 8.931 1.00 0.00 C ATOM 0 H5' DC A 1 -6.376 -4.468 7.794 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.681 -3.507 6.361 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.689 -2.175 8.093 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.480 -2.322 5.435 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.297 -2.797 6.258 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.327 -1.106 6.716 1.00 0.00 H new ATOM 0 HO5' DC A 1 -5.728 -5.556 5.858 1.00 0.00 H new ATOM 0 H1' DC A 1 -3.054 -1.625 9.009 1.00 0.00 H new ATOM 0 H41 DC A 1 2.140 -5.436 10.233 1.00 0.00 H new ATOM 0 H42 DC A 1 2.720 -3.772 10.358 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.116 -5.983 9.477 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.245 -5.069 8.687 1.00 0.00 H new ATOM 29 P DT A 2 -4.790 0.362 5.245 1.00 0.00 P ATOM 30 OP1 DT A 2 -5.795 1.411 5.531 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.919 -0.423 3.997 1.00 0.00 O ATOM 32 O5' DT A 2 -3.330 1.052 5.271 1.00 0.00 O ATOM 33 C5' DT A 2 -3.059 2.252 4.561 1.00 0.00 C ATOM 34 C4' DT A 2 -1.807 2.966 5.096 1.00 0.00 C ATOM 35 O4' DT A 2 -2.036 3.317 6.455 1.00 0.00 O ATOM 36 C3' DT A 2 -0.550 2.081 5.026 1.00 0.00 C ATOM 37 O3' DT A 2 0.629 2.709 4.498 1.00 0.00 O ATOM 38 C2' DT A 2 -0.434 1.567 6.461 1.00 0.00 C ATOM 39 C1' DT A 2 -1.083 2.673 7.283 1.00 0.00 C ATOM 40 N1 DT A 2 -1.662 2.185 8.560 1.00 0.00 N ATOM 41 C2 DT A 2 -0.888 2.311 9.715 1.00 0.00 C ATOM 42 O2 DT A 2 0.228 2.833 9.727 1.00 0.00 O ATOM 43 N3 DT A 2 -1.446 1.825 10.889 1.00 0.00 N ATOM 44 C4 DT A 2 -2.712 1.267 11.018 1.00 0.00 C ATOM 45 O4 DT A 2 -3.113 0.920 12.126 1.00 0.00 O ATOM 46 C5 DT A 2 -3.456 1.167 9.771 1.00 0.00 C ATOM 47 C7 DT A 2 -4.860 0.592 9.781 1.00 0.00 C ATOM 48 C6 DT A 2 -2.914 1.613 8.606 1.00 0.00 C ATOM 0 H5' DT A 2 -3.917 2.920 4.636 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.923 2.025 3.504 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.631 3.844 4.474 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.645 1.279 4.294 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.949 0.615 6.590 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.605 1.409 6.749 1.00 0.00 H new ATOM 0 H1' DT A 2 -0.324 3.389 7.598 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.876 1.883 11.733 1.00 0.00 H new ATOM 0 H71 DT A 2 -4.949 -0.137 10.586 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.581 1.395 9.937 1.00 0.00 H new ATOM 0 H73 DT A 2 -5.060 0.105 8.827 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.481 1.516 7.692 1.00 0.00 H new ATOM 61 P DT A 3 1.247 4.183 4.868 1.00 0.00 P ATOM 62 OP1 DT A 3 0.486 4.844 5.947 1.00 0.00 O ATOM 63 OP2 DT A 3 1.469 4.907 3.598 1.00 0.00 O ATOM 64 O5' DT A 3 2.712 3.843 5.455 1.00 0.00 O ATOM 65 C5' DT A 3 2.886 2.866 6.458 1.00 0.00 C ATOM 66 C4' DT A 3 4.352 2.690 6.867 1.00 0.00 C ATOM 67 O4' DT A 3 4.452 1.473 7.595 1.00 0.00 O ATOM 68 C3' DT A 3 5.323 2.560 5.685 1.00 0.00 C ATOM 69 O3' DT A 3 6.618 3.060 5.990 1.00 0.00 O ATOM 70 C2' DT A 3 5.356 1.062 5.423 1.00 0.00 C ATOM 71 C1' DT A 3 5.107 0.480 6.817 1.00 0.00 C ATOM 72 N1 DT A 3 4.339 -0.804 6.803 1.00 0.00 N ATOM 73 C2 DT A 3 4.937 -1.949 7.342 1.00 0.00 C ATOM 74 O2 DT A 3 6.088 -1.971 7.774 1.00 0.00 O ATOM 75 N3 DT A 3 4.163 -3.106 7.362 1.00 0.00 N ATOM 76 C4 DT A 3 2.879 -3.238 6.843 1.00 0.00 C ATOM 77 O4 DT A 3 2.302 -4.321 6.903 1.00 0.00 O ATOM 78 C5 DT A 3 2.352 -2.023 6.240 1.00 0.00 C ATOM 79 C7 DT A 3 0.974 -2.031 5.600 1.00 0.00 C ATOM 80 C6 DT A 3 3.087 -0.882 6.226 1.00 0.00 C ATOM 0 H5' DT A 3 2.496 1.913 6.102 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.300 3.143 7.334 1.00 0.00 H new ATOM 0 H4' DT A 3 4.626 3.580 7.433 1.00 0.00 H new ATOM 0 H3' DT A 3 5.004 3.143 4.821 1.00 0.00 H new ATOM 0 H2' DT A 3 4.588 0.757 4.712 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.314 0.742 5.014 1.00 0.00 H new ATOM 0 H1' DT A 3 6.069 0.219 7.258 1.00 0.00 H new ATOM 0 H3 DT A 3 4.575 -3.932 7.797 1.00 0.00 H new ATOM 0 H71 DT A 3 0.527 -1.041 5.687 1.00 0.00 H new ATOM 0 H72 DT A 3 1.063 -2.298 4.547 1.00 0.00 H new ATOM 0 H73 DT A 3 0.342 -2.760 6.106 1.00 0.00 H new ATOM 0 H6 DT A 3 2.678 -0.005 5.747 1.00 0.00 H new ATOM 93 P DG A 4 6.966 4.643 5.914 1.00 0.00 P ATOM 94 OP1 DG A 4 6.133 5.260 4.855 1.00 0.00 O ATOM 95 OP2 DG A 4 8.439 4.784 5.850 1.00 0.00 O ATOM 96 O5' DG A 4 6.463 5.224 7.336 1.00 0.00 O ATOM 97 C5' DG A 4 7.271 5.183 8.500 1.00 0.00 C ATOM 98 C4' DG A 4 6.421 4.811 9.716 1.00 0.00 C ATOM 99 O4' DG A 4 5.995 3.466 9.590 1.00 0.00 O ATOM 100 C3' DG A 4 7.223 4.903 11.023 1.00 0.00 C ATOM 101 O3' DG A 4 6.488 5.671 11.966 1.00 0.00 O ATOM 102 C2' DG A 4 7.348 3.444 11.448 1.00 0.00 C ATOM 103 C1' DG A 4 6.069 2.860 10.858 1.00 0.00 C ATOM 104 N9 DG A 4 6.081 1.384 10.735 1.00 0.00 N ATOM 105 C8 DG A 4 7.134 0.504 10.730 1.00 0.00 C ATOM 106 N7 DG A 4 6.782 -0.753 10.719 1.00 0.00 N ATOM 107 C5 DG A 4 5.391 -0.715 10.699 1.00 0.00 C ATOM 108 C6 DG A 4 4.422 -1.774 10.634 1.00 0.00 C ATOM 109 O6 DG A 4 4.597 -2.991 10.613 1.00 0.00 O ATOM 110 N1 DG A 4 3.118 -1.293 10.568 1.00 0.00 N ATOM 111 C2 DG A 4 2.783 0.044 10.592 1.00 0.00 C ATOM 112 N2 DG A 4 1.495 0.335 10.484 1.00 0.00 N ATOM 113 N3 DG A 4 3.673 1.038 10.691 1.00 0.00 N ATOM 114 C4 DG A 4 4.960 0.594 10.727 1.00 0.00 C ATOM 0 H5' DG A 4 7.743 6.153 8.659 1.00 0.00 H new ATOM 0 H5'' DG A 4 8.073 4.456 8.370 1.00 0.00 H new ATOM 0 H4' DG A 4 5.584 5.508 9.752 1.00 0.00 H new ATOM 0 H3' DG A 4 8.195 5.387 10.930 1.00 0.00 H new ATOM 0 H2' DG A 4 8.243 2.971 11.043 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.391 3.332 12.531 1.00 0.00 H new ATOM 0 H1' DG A 4 5.212 3.057 11.502 1.00 0.00 H new ATOM 0 H8 DG A 4 8.166 0.824 10.735 1.00 0.00 H new ATOM 0 H1 DG A 4 2.361 -1.973 10.497 1.00 0.00 H new ATOM 0 H21 DG A 4 1.189 1.308 10.496 1.00 0.00 H new ATOM 0 H22 DG A 4 0.809 -0.414 10.389 1.00 0.00 H new ATOM 126 P DC A 5 7.205 6.436 13.198 1.00 0.00 P ATOM 127 OP1 DC A 5 6.196 7.314 13.840 1.00 0.00 O ATOM 128 OP2 DC A 5 8.477 7.017 12.716 1.00 0.00 O ATOM 129 O5' DC A 5 7.549 5.217 14.208 1.00 0.00 O ATOM 130 C5' DC A 5 6.687 4.828 15.263 1.00 0.00 C ATOM 131 C4' DC A 5 5.301 4.363 14.795 1.00 0.00 C ATOM 132 O4' DC A 5 5.342 3.099 14.173 1.00 0.00 O ATOM 133 C3' DC A 5 4.360 4.227 15.992 1.00 0.00 C ATOM 134 O3' DC A 5 3.530 5.370 16.035 1.00 0.00 O ATOM 135 C2' DC A 5 3.610 2.924 15.729 1.00 0.00 C ATOM 136 C1' DC A 5 4.069 2.508 14.332 1.00 0.00 C ATOM 137 N1 DC A 5 4.112 1.025 14.211 1.00 0.00 N ATOM 138 C2 DC A 5 2.915 0.348 13.953 1.00 0.00 C ATOM 139 O2 DC A 5 1.863 0.964 13.793 1.00 0.00 O ATOM 140 N3 DC A 5 2.925 -1.015 13.896 1.00 0.00 N ATOM 141 C4 DC A 5 4.055 -1.708 14.090 1.00 0.00 C ATOM 142 N4 DC A 5 3.995 -3.041 14.041 1.00 0.00 N ATOM 143 C5 DC A 5 5.301 -1.036 14.353 1.00 0.00 C ATOM 144 C6 DC A 5 5.280 0.320 14.404 1.00 0.00 C ATOM 0 H5' DC A 5 6.566 5.667 15.948 1.00 0.00 H new ATOM 0 H5'' DC A 5 7.159 4.023 15.826 1.00 0.00 H new ATOM 0 H4' DC A 5 4.953 5.113 14.085 1.00 0.00 H new ATOM 0 H3' DC A 5 4.848 4.181 16.966 1.00 0.00 H new ATOM 0 H2' DC A 5 3.856 2.165 16.472 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.531 3.070 15.767 1.00 0.00 H new ATOM 0 H1' DC A 5 3.386 2.840 13.550 1.00 0.00 H new ATOM 0 H41 DC A 5 4.839 -3.595 14.185 1.00 0.00 H new ATOM 0 H42 DC A 5 3.105 -3.505 13.860 1.00 0.00 H new ATOM 0 H5 DC A 5 6.216 -1.589 14.504 1.00 0.00 H new ATOM 0 H6 DC A 5 6.196 0.857 14.600 1.00 0.00 H new ATOM 156 P DG A 6 2.563 5.707 17.283 1.00 0.00 P ATOM 157 OP1 DG A 6 2.376 7.174 17.309 1.00 0.00 O ATOM 158 OP2 DG A 6 3.053 5.002 18.487 1.00 0.00 O ATOM 159 O5' DG A 6 1.180 5.012 16.850 1.00 0.00 O ATOM 160 C5' DG A 6 0.462 5.440 15.714 1.00 0.00 C ATOM 161 C4' DG A 6 -0.889 4.722 15.692 1.00 0.00 C ATOM 162 O4' DG A 6 -1.647 5.154 14.575 1.00 0.00 O ATOM 163 C3' DG A 6 -0.791 3.207 15.544 1.00 0.00 C ATOM 164 O3' DG A 6 -2.026 2.666 15.980 1.00 0.00 O ATOM 165 C2' DG A 6 -0.650 3.046 14.041 1.00 0.00 C ATOM 166 C1' DG A 6 -1.562 4.172 13.552 1.00 0.00 C ATOM 167 N9 DG A 6 -1.141 4.823 12.288 1.00 0.00 N ATOM 168 C8 DG A 6 0.081 5.347 11.940 1.00 0.00 C ATOM 169 N7 DG A 6 0.121 5.856 10.738 1.00 0.00 N ATOM 170 C5 DG A 6 -1.159 5.630 10.235 1.00 0.00 C ATOM 171 C6 DG A 6 -1.709 5.916 8.943 1.00 0.00 C ATOM 172 O6 DG A 6 -1.165 6.476 7.996 1.00 0.00 O ATOM 173 N1 DG A 6 -3.019 5.461 8.802 1.00 0.00 N ATOM 174 C2 DG A 6 -3.729 4.824 9.803 1.00 0.00 C ATOM 175 N2 DG A 6 -4.959 4.404 9.500 1.00 0.00 N ATOM 176 N3 DG A 6 -3.230 4.584 11.028 1.00 0.00 N ATOM 177 C4 DG A 6 -1.938 5.001 11.181 1.00 0.00 C ATOM 0 H5' DG A 6 1.023 5.218 14.806 1.00 0.00 H new ATOM 0 H5'' DG A 6 0.316 6.520 15.743 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.344 4.964 16.653 1.00 0.00 H new ATOM 0 H3' DG A 6 0.012 2.725 16.102 1.00 0.00 H new ATOM 0 H2' DG A 6 0.380 3.171 13.706 1.00 0.00 H new ATOM 0 H2'' DG A 6 -0.980 2.066 13.696 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.524 3.710 13.332 1.00 0.00 H new ATOM 0 H8 DG A 6 0.934 5.339 12.603 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.482 5.607 7.905 1.00 0.00 H new ATOM 0 H21 DG A 6 -5.523 3.928 10.204 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.335 4.559 8.564 1.00 0.00 H new ATOM 189 P DT A 7 -2.174 1.728 17.280 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.518 1.947 17.859 1.00 0.00 O ATOM 191 OP2 DT A 7 -0.971 1.874 18.132 1.00 0.00 O ATOM 192 O5' DT A 7 -2.150 0.270 16.606 1.00 0.00 O ATOM 193 C5' DT A 7 -3.098 -0.126 15.630 1.00 0.00 C ATOM 194 C4' DT A 7 -3.260 -1.649 15.619 1.00 0.00 C ATOM 195 O4' DT A 7 -2.034 -2.253 15.244 1.00 0.00 O ATOM 196 C3' DT A 7 -3.642 -2.191 17.003 1.00 0.00 C ATOM 197 O3' DT A 7 -4.672 -3.166 16.954 1.00 0.00 O ATOM 198 C2' DT A 7 -2.349 -2.797 17.532 1.00 0.00 C ATOM 199 C1' DT A 7 -1.577 -3.130 16.255 1.00 0.00 C ATOM 200 N1 DT A 7 -0.104 -3.001 16.450 1.00 0.00 N ATOM 201 C2 DT A 7 0.642 -4.165 16.665 1.00 0.00 C ATOM 202 O2 DT A 7 0.177 -5.297 16.542 1.00 0.00 O ATOM 203 N3 DT A 7 1.967 -3.990 17.053 1.00 0.00 N ATOM 204 C4 DT A 7 2.595 -2.771 17.279 1.00 0.00 C ATOM 205 O4 DT A 7 3.766 -2.746 17.652 1.00 0.00 O ATOM 206 C5 DT A 7 1.754 -1.608 17.033 1.00 0.00 C ATOM 207 C7 DT A 7 2.306 -0.212 17.257 1.00 0.00 C ATOM 208 C6 DT A 7 0.472 -1.758 16.610 1.00 0.00 C ATOM 0 H5' DT A 7 -2.779 0.218 14.646 1.00 0.00 H new ATOM 0 H5'' DT A 7 -4.059 0.345 15.837 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.054 -1.885 14.910 1.00 0.00 H new ATOM 0 H3' DT A 7 -4.044 -1.402 17.638 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.803 -2.095 18.162 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.537 -3.686 18.134 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.756 -4.168 15.973 1.00 0.00 H new ATOM 0 H3 DT A 7 2.528 -4.832 17.183 1.00 0.00 H new ATOM 0 H71 DT A 7 1.820 0.485 16.574 1.00 0.00 H new ATOM 0 H72 DT A 7 2.114 0.094 18.285 1.00 0.00 H new ATOM 0 H73 DT A 7 3.380 -0.212 17.073 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.114 -0.877 16.392 1.00 0.00 H new ATOM 221 P DG A 8 -6.232 -2.767 16.748 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.426 -1.366 17.185 1.00 0.00 O ATOM 223 OP2 DG A 8 -7.060 -3.837 17.348 1.00 0.00 O ATOM 224 O5' DG A 8 -6.426 -2.817 15.147 1.00 0.00 O ATOM 225 C5' DG A 8 -6.524 -4.045 14.453 1.00 0.00 C ATOM 226 C4' DG A 8 -6.182 -3.844 12.975 1.00 0.00 C ATOM 227 O4' DG A 8 -4.869 -3.342 12.840 1.00 0.00 O ATOM 228 C3' DG A 8 -6.225 -5.149 12.184 1.00 0.00 C ATOM 229 O3' DG A 8 -7.517 -5.418 11.678 1.00 0.00 O ATOM 230 C2' DG A 8 -5.243 -4.871 11.051 1.00 0.00 C ATOM 231 C1' DG A 8 -4.275 -3.850 11.660 1.00 0.00 C ATOM 232 N9 DG A 8 -2.950 -4.391 12.050 1.00 0.00 N ATOM 233 C8 DG A 8 -2.557 -5.680 12.322 1.00 0.00 C ATOM 234 N7 DG A 8 -1.319 -5.791 12.723 1.00 0.00 N ATOM 235 C5 DG A 8 -0.851 -4.480 12.740 1.00 0.00 C ATOM 236 C6 DG A 8 0.426 -3.948 13.123 1.00 0.00 C ATOM 237 O6 DG A 8 1.429 -4.545 13.506 1.00 0.00 O ATOM 238 N1 DG A 8 0.466 -2.558 13.040 1.00 0.00 N ATOM 239 C2 DG A 8 -0.598 -1.775 12.642 1.00 0.00 C ATOM 240 N2 DG A 8 -0.452 -0.461 12.752 1.00 0.00 N ATOM 241 N3 DG A 8 -1.779 -2.266 12.239 1.00 0.00 N ATOM 242 C4 DG A 8 -1.846 -3.622 12.322 1.00 0.00 C ATOM 0 H5' DG A 8 -7.533 -4.446 14.549 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.847 -4.776 14.895 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.928 -3.150 12.588 1.00 0.00 H new ATOM 0 H3' DG A 8 -5.975 -6.023 12.786 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.725 -5.777 10.737 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.747 -4.471 10.171 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.503 -6.260 11.177 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.100 -3.105 10.884 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.216 -6.529 12.213 1.00 0.00 H new ATOM 0 H1 DG A 8 1.337 -2.089 13.289 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.210 0.162 12.471 1.00 0.00 H new ATOM 0 H22 DG A 8 0.418 -0.073 13.117 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 10.320 5.277 7.360 1.00 0.00 NA HETATM 257 NA NA A 102 1.007 3.291 18.820 1.00 0.00 NA HETATM 258 NA NA A 103 -7.189 0.682 3.456 1.00 0.00 NA HETATM 259 NA NA A 104 -5.785 0.968 17.652 1.00 0.00 NA HETATM 260 NA NA A 105 4.404 7.797 15.590 1.00 0.00 NA HETATM 261 NA NA A 106 3.956 5.432 3.657 1.00 0.00 NA HETATM 262 NA NA A 107 1.309 5.828 8.119 1.00 0.00 NA