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= -0.0915 (180deg=-0.415) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.0958 (180deg=-0.0958) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -5.728 -4.410 6.502 1.00 0.00 O ATOM 2 C5' DC A 1 -6.208 -3.343 7.296 1.00 0.00 C ATOM 3 C4' DC A 1 -5.079 -2.401 7.726 1.00 0.00 C ATOM 4 O4' DC A 1 -4.089 -3.083 8.478 1.00 0.00 O ATOM 5 C3' DC A 1 -4.338 -1.730 6.559 1.00 0.00 C ATOM 6 O3' DC A 1 -4.794 -0.395 6.392 1.00 0.00 O ATOM 7 C2' DC A 1 -2.878 -1.780 7.007 1.00 0.00 C ATOM 8 C1' DC A 1 -2.954 -2.244 8.462 1.00 0.00 C ATOM 9 N1 DC A 1 -1.674 -2.887 8.874 1.00 0.00 N ATOM 10 C2 DC A 1 -0.604 -2.048 9.204 1.00 0.00 C ATOM 11 O2 DC A 1 -0.725 -0.824 9.181 1.00 0.00 O ATOM 12 N3 DC A 1 0.592 -2.608 9.553 1.00 0.00 N ATOM 13 C4 DC A 1 0.751 -3.937 9.584 1.00 0.00 C ATOM 14 N4 DC A 1 1.949 -4.430 9.918 1.00 0.00 N ATOM 15 C5 DC A 1 -0.339 -4.821 9.267 1.00 0.00 C ATOM 16 C6 DC A 1 -1.526 -4.255 8.925 1.00 0.00 C ATOM 0 H5' DC A 1 -6.704 -3.743 8.180 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.956 -2.782 6.737 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.591 -1.640 8.315 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.495 -2.215 5.595 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.297 -2.472 6.397 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.401 -0.803 6.924 1.00 0.00 H new ATOM 0 HO5' DC A 1 -6.475 -4.991 6.248 1.00 0.00 H new ATOM 0 H1' DC A 1 -3.069 -1.446 9.195 1.00 0.00 H new ATOM 0 H41 DC A 1 2.095 -5.439 9.949 1.00 0.00 H new ATOM 0 H42 DC A 1 2.717 -3.797 10.142 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.218 -5.894 9.300 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.368 -4.889 8.689 1.00 0.00 H new ATOM 29 P DT A 2 -4.550 0.458 5.033 1.00 0.00 P ATOM 30 OP1 DT A 2 -5.595 1.503 4.987 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.428 -0.474 3.890 1.00 0.00 O ATOM 32 O5' DT A 2 -3.125 1.192 5.239 1.00 0.00 O ATOM 33 C5' DT A 2 -2.750 2.314 4.453 1.00 0.00 C ATOM 34 C4' DT A 2 -1.469 2.990 4.968 1.00 0.00 C ATOM 35 O4' DT A 2 -1.693 3.469 6.289 1.00 0.00 O ATOM 36 C3' DT A 2 -0.265 2.039 4.993 1.00 0.00 C ATOM 37 O3' DT A 2 0.951 2.588 4.457 1.00 0.00 O ATOM 38 C2' DT A 2 -0.216 1.624 6.462 1.00 0.00 C ATOM 39 C1' DT A 2 -0.816 2.818 7.195 1.00 0.00 C ATOM 40 N1 DT A 2 -1.485 2.431 8.464 1.00 0.00 N ATOM 41 C2 DT A 2 -0.738 2.491 9.643 1.00 0.00 C ATOM 42 O2 DT A 2 0.406 2.943 9.694 1.00 0.00 O ATOM 43 N3 DT A 2 -1.360 2.020 10.792 1.00 0.00 N ATOM 44 C4 DT A 2 -2.668 1.556 10.879 1.00 0.00 C ATOM 45 O4 DT A 2 -3.118 1.197 11.965 1.00 0.00 O ATOM 46 C5 DT A 2 -3.391 1.560 9.615 1.00 0.00 C ATOM 47 C7 DT A 2 -4.837 1.107 9.579 1.00 0.00 C ATOM 48 C6 DT A 2 -2.785 1.979 8.474 1.00 0.00 C ATOM 0 H5' DT A 2 -3.564 3.039 4.449 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.600 1.997 3.421 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.237 3.804 4.281 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.374 1.186 4.323 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.790 0.715 6.641 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.805 1.426 6.788 1.00 0.00 H new ATOM 0 H1' DT A 2 -0.027 3.503 7.505 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.808 2.014 11.649 1.00 0.00 H new ATOM 0 H71 DT A 2 -5.005 0.362 10.357 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.491 1.963 9.749 1.00 0.00 H new ATOM 0 H73 DT A 2 -5.057 0.670 8.605 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.339 1.957 7.547 1.00 0.00 H new ATOM 61 P DT A 3 1.601 4.073 4.723 1.00 0.00 P ATOM 62 OP1 DT A 3 0.846 4.831 5.742 1.00 0.00 O ATOM 63 OP2 DT A 3 1.864 4.694 3.408 1.00 0.00 O ATOM 64 O5' DT A 3 3.040 3.725 5.356 1.00 0.00 O ATOM 65 C5' DT A 3 3.159 2.798 6.410 1.00 0.00 C ATOM 66 C4' DT A 3 4.606 2.620 6.871 1.00 0.00 C ATOM 67 O4' DT A 3 4.648 1.444 7.669 1.00 0.00 O ATOM 68 C3' DT A 3 5.601 2.393 5.724 1.00 0.00 C ATOM 69 O3' DT A 3 6.911 2.832 6.052 1.00 0.00 O ATOM 70 C2' DT A 3 5.574 0.884 5.549 1.00 0.00 C ATOM 71 C1' DT A 3 5.342 0.413 6.984 1.00 0.00 C ATOM 72 N1 DT A 3 4.639 -0.903 7.025 1.00 0.00 N ATOM 73 C2 DT A 3 5.413 -2.051 7.244 1.00 0.00 C ATOM 74 O2 DT A 3 6.615 -2.018 7.500 1.00 0.00 O ATOM 75 N3 DT A 3 4.755 -3.272 7.140 1.00 0.00 N ATOM 76 C4 DT A 3 3.420 -3.454 6.800 1.00 0.00 C ATOM 77 O4 DT A 3 2.957 -4.590 6.729 1.00 0.00 O ATOM 78 C5 DT A 3 2.695 -2.218 6.544 1.00 0.00 C ATOM 79 C7 DT A 3 1.238 -2.273 6.116 1.00 0.00 C ATOM 80 C6 DT A 3 3.309 -1.011 6.670 1.00 0.00 C ATOM 0 H5' DT A 3 2.762 1.835 6.089 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.551 3.129 7.252 1.00 0.00 H new ATOM 0 H4' DT A 3 4.892 3.535 7.390 1.00 0.00 H new ATOM 0 H3' DT A 3 5.334 2.951 4.826 1.00 0.00 H new ATOM 0 H2' DT A 3 4.777 0.563 4.878 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.509 0.502 5.138 1.00 0.00 H new ATOM 0 H1' DT A 3 6.292 0.233 7.488 1.00 0.00 H new ATOM 0 H3 DT A 3 5.303 -4.111 7.331 1.00 0.00 H new ATOM 0 H71 DT A 3 0.721 -1.381 6.469 1.00 0.00 H new ATOM 0 H72 DT A 3 1.180 -2.320 5.029 1.00 0.00 H new ATOM 0 H73 DT A 3 0.767 -3.158 6.543 1.00 0.00 H new ATOM 0 H6 DT A 3 2.740 -0.111 6.487 1.00 0.00 H new ATOM 93 P DG A 4 7.365 4.382 5.900 1.00 0.00 P ATOM 94 OP1 DG A 4 6.609 4.987 4.779 1.00 0.00 O ATOM 95 OP2 DG A 4 8.845 4.402 5.879 1.00 0.00 O ATOM 96 O5' DG A 4 6.860 5.069 7.272 1.00 0.00 O ATOM 97 C5' DG A 4 7.622 5.043 8.469 1.00 0.00 C ATOM 98 C4' DG A 4 6.725 4.665 9.650 1.00 0.00 C ATOM 99 O4' DG A 4 6.303 3.321 9.515 1.00 0.00 O ATOM 100 C3' DG A 4 7.453 4.765 10.999 1.00 0.00 C ATOM 101 O3' DG A 4 6.685 5.591 11.863 1.00 0.00 O ATOM 102 C2' DG A 4 7.505 3.316 11.481 1.00 0.00 C ATOM 103 C1' DG A 4 6.266 2.750 10.802 1.00 0.00 C ATOM 104 N9 DG A 4 6.229 1.273 10.710 1.00 0.00 N ATOM 105 C8 DG A 4 7.253 0.360 10.714 1.00 0.00 C ATOM 106 N7 DG A 4 6.860 -0.882 10.619 1.00 0.00 N ATOM 107 C5 DG A 4 5.471 -0.795 10.558 1.00 0.00 C ATOM 108 C6 DG A 4 4.468 -1.816 10.433 1.00 0.00 C ATOM 109 O6 DG A 4 4.604 -3.036 10.353 1.00 0.00 O ATOM 110 N1 DG A 4 3.180 -1.290 10.394 1.00 0.00 N ATOM 111 C2 DG A 4 2.886 0.053 10.490 1.00 0.00 C ATOM 112 N2 DG A 4 1.603 0.390 10.447 1.00 0.00 N ATOM 113 N3 DG A 4 3.811 1.012 10.625 1.00 0.00 N ATOM 114 C4 DG A 4 5.083 0.524 10.641 1.00 0.00 C ATOM 0 H5' DG A 4 8.075 6.019 8.643 1.00 0.00 H new ATOM 0 H5'' DG A 4 8.437 4.325 8.376 1.00 0.00 H new ATOM 0 H4' DG A 4 5.889 5.365 9.638 1.00 0.00 H new ATOM 0 H3' DG A 4 8.450 5.204 10.953 1.00 0.00 H new ATOM 0 H2' DG A 4 8.417 2.808 11.168 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.454 3.239 12.567 1.00 0.00 H new ATOM 0 H1' DG A 4 5.375 2.991 11.381 1.00 0.00 H new ATOM 0 H8 DG A 4 8.292 0.643 10.789 1.00 0.00 H new ATOM 0 H1 DG A 4 2.402 -1.941 10.287 1.00 0.00 H new ATOM 0 H21 DG A 4 1.331 1.371 10.514 1.00 0.00 H new ATOM 0 H22 DG A 4 0.889 -0.332 10.347 1.00 0.00 H new ATOM 126 P DC A 5 7.326 6.344 13.144 1.00 0.00 P ATOM 127 OP1 DC A 5 6.338 7.334 13.634 1.00 0.00 O ATOM 128 OP2 DC A 5 8.695 6.786 12.798 1.00 0.00 O ATOM 129 O5' DC A 5 7.438 5.145 14.226 1.00 0.00 O ATOM 130 C5' DC A 5 6.460 4.922 15.227 1.00 0.00 C ATOM 131 C4' DC A 5 5.075 4.555 14.674 1.00 0.00 C ATOM 132 O4' DC A 5 5.078 3.324 13.982 1.00 0.00 O ATOM 133 C3' DC A 5 4.086 4.413 15.831 1.00 0.00 C ATOM 134 O3' DC A 5 3.202 5.514 15.806 1.00 0.00 O ATOM 135 C2' DC A 5 3.405 3.069 15.592 1.00 0.00 C ATOM 136 C1' DC A 5 3.823 2.695 14.170 1.00 0.00 C ATOM 137 N1 DC A 5 3.916 1.213 14.019 1.00 0.00 N ATOM 138 C2 DC A 5 2.729 0.489 13.855 1.00 0.00 C ATOM 139 O2 DC A 5 1.640 1.057 13.815 1.00 0.00 O ATOM 140 N3 DC A 5 2.794 -0.868 13.750 1.00 0.00 N ATOM 141 C4 DC A 5 3.966 -1.514 13.795 1.00 0.00 C ATOM 142 N4 DC A 5 3.965 -2.844 13.685 1.00 0.00 N ATOM 143 C5 DC A 5 5.202 -0.796 13.944 1.00 0.00 C ATOM 144 C6 DC A 5 5.128 0.554 14.051 1.00 0.00 C ATOM 0 H5' DC A 5 6.370 5.819 15.839 1.00 0.00 H new ATOM 0 H5'' DC A 5 6.802 4.122 15.883 1.00 0.00 H new ATOM 0 H4' DC A 5 4.793 5.352 13.986 1.00 0.00 H new ATOM 0 H3' DC A 5 4.539 4.422 16.822 1.00 0.00 H new ATOM 0 H2' DC A 5 3.732 2.321 16.315 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.322 3.148 15.683 1.00 0.00 H new ATOM 0 H1' DC A 5 3.099 3.021 13.423 1.00 0.00 H new ATOM 0 H41 DC A 5 4.845 -3.359 13.716 1.00 0.00 H new ATOM 0 H42 DC A 5 3.084 -3.345 13.570 1.00 0.00 H new ATOM 0 H5 DC A 5 6.151 -1.311 13.970 1.00 0.00 H new ATOM 0 H6 DC A 5 6.037 1.126 14.164 1.00 0.00 H new ATOM 156 P DG A 6 2.295 5.923 17.077 1.00 0.00 P ATOM 157 OP1 DG A 6 2.039 7.376 16.985 1.00 0.00 O ATOM 158 OP2 DG A 6 2.883 5.351 18.309 1.00 0.00 O ATOM 159 O5' DG A 6 0.934 5.127 16.787 1.00 0.00 O ATOM 160 C5' DG A 6 0.114 5.459 15.691 1.00 0.00 C ATOM 161 C4' DG A 6 -1.183 4.659 15.795 1.00 0.00 C ATOM 162 O4' DG A 6 -2.047 5.036 14.741 1.00 0.00 O ATOM 163 C3' DG A 6 -1.020 3.149 15.654 1.00 0.00 C ATOM 164 O3' DG A 6 -2.205 2.557 16.163 1.00 0.00 O ATOM 165 C2' DG A 6 -0.954 2.985 14.145 1.00 0.00 C ATOM 166 C1' DG A 6 -1.937 4.074 13.704 1.00 0.00 C ATOM 167 N9 DG A 6 -1.629 4.757 12.424 1.00 0.00 N ATOM 168 C8 DG A 6 -0.440 5.263 11.947 1.00 0.00 C ATOM 169 N7 DG A 6 -0.520 5.750 10.738 1.00 0.00 N ATOM 170 C5 DG A 6 -1.852 5.553 10.378 1.00 0.00 C ATOM 171 C6 DG A 6 -2.536 5.848 9.154 1.00 0.00 C ATOM 172 O6 DG A 6 -2.077 6.344 8.128 1.00 0.00 O ATOM 173 N1 DG A 6 -3.886 5.496 9.191 1.00 0.00 N ATOM 174 C2 DG A 6 -4.507 4.926 10.288 1.00 0.00 C ATOM 175 N2 DG A 6 -5.811 4.658 10.178 1.00 0.00 N ATOM 176 N3 DG A 6 -3.865 4.634 11.432 1.00 0.00 N ATOM 177 C4 DG A 6 -2.542 4.971 11.416 1.00 0.00 C ATOM 0 H5' DG A 6 0.624 5.233 14.754 1.00 0.00 H new ATOM 0 H5'' DG A 6 -0.100 6.528 15.688 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.563 4.879 16.793 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.167 2.708 16.169 1.00 0.00 H new ATOM 0 H2' DG A 6 0.050 3.149 13.753 1.00 0.00 H new ATOM 0 H2'' DG A 6 -1.264 1.991 13.822 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.876 3.554 13.515 1.00 0.00 H new ATOM 0 H8 DG A 6 0.475 5.257 12.521 1.00 0.00 H new ATOM 0 H1 DG A 6 -4.449 5.670 8.358 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.313 4.238 10.960 1.00 0.00 H new ATOM 0 H22 DG A 6 -6.305 4.874 9.312 1.00 0.00 H new ATOM 189 P DT A 7 -2.229 1.562 17.427 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.547 1.688 18.089 1.00 0.00 O ATOM 191 OP2 DT A 7 -0.987 1.746 18.215 1.00 0.00 O ATOM 192 O5' DT A 7 -2.169 0.129 16.702 1.00 0.00 O ATOM 193 C5' DT A 7 -3.156 -0.301 15.780 1.00 0.00 C ATOM 194 C4' DT A 7 -3.234 -1.831 15.749 1.00 0.00 C ATOM 195 O4' DT A 7 -1.998 -2.361 15.300 1.00 0.00 O ATOM 196 C3' DT A 7 -3.520 -2.417 17.139 1.00 0.00 C ATOM 197 O3' DT A 7 -4.525 -3.419 17.117 1.00 0.00 O ATOM 198 C2' DT A 7 -2.181 -2.991 17.583 1.00 0.00 C ATOM 199 C1' DT A 7 -1.453 -3.242 16.262 1.00 0.00 C ATOM 200 N1 DT A 7 0.020 -3.040 16.392 1.00 0.00 N ATOM 201 C2 DT A 7 0.840 -4.167 16.517 1.00 0.00 C ATOM 202 O2 DT A 7 0.431 -5.319 16.385 1.00 0.00 O ATOM 203 N3 DT A 7 2.177 -3.930 16.822 1.00 0.00 N ATOM 204 C4 DT A 7 2.753 -2.685 17.050 1.00 0.00 C ATOM 205 O4 DT A 7 3.946 -2.607 17.338 1.00 0.00 O ATOM 206 C5 DT A 7 1.833 -1.564 16.910 1.00 0.00 C ATOM 207 C7 DT A 7 2.320 -0.146 17.155 1.00 0.00 C ATOM 208 C6 DT A 7 0.537 -1.773 16.569 1.00 0.00 C ATOM 0 H5' DT A 7 -2.921 0.077 14.785 1.00 0.00 H new ATOM 0 H5'' DT A 7 -4.126 0.113 16.057 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.048 -2.100 15.076 1.00 0.00 H new ATOM 0 H3' DT A 7 -3.907 -1.659 17.820 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.634 -2.293 18.218 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.307 -3.911 18.155 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.594 -4.279 15.958 1.00 0.00 H new ATOM 0 H3 DT A 7 2.790 -4.743 16.884 1.00 0.00 H new ATOM 0 H71 DT A 7 1.750 0.547 16.536 1.00 0.00 H new ATOM 0 H72 DT A 7 2.183 0.109 18.206 1.00 0.00 H new ATOM 0 H73 DT A 7 3.377 -0.075 16.899 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.111 -0.920 16.432 1.00 0.00 H new ATOM 221 P DG A 8 -6.102 -3.058 16.976 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.313 -1.667 17.440 1.00 0.00 O ATOM 223 OP2 DG A 8 -6.882 -4.155 17.589 1.00 0.00 O ATOM 224 O5' DG A 8 -6.359 -3.086 15.382 1.00 0.00 O ATOM 225 C5' DG A 8 -6.438 -4.305 14.668 1.00 0.00 C ATOM 226 C4' DG A 8 -6.200 -4.056 13.177 1.00 0.00 C ATOM 227 O4' DG A 8 -4.927 -3.477 12.971 1.00 0.00 O ATOM 228 C3' DG A 8 -6.210 -5.345 12.359 1.00 0.00 C ATOM 229 O3' DG A 8 -7.514 -5.698 11.943 1.00 0.00 O ATOM 230 C2' DG A 8 -5.334 -4.979 11.167 1.00 0.00 C ATOM 231 C1' DG A 8 -4.380 -3.924 11.743 1.00 0.00 C ATOM 232 N9 DG A 8 -3.012 -4.413 12.045 1.00 0.00 N ATOM 233 C8 DG A 8 -2.547 -5.691 12.243 1.00 0.00 C ATOM 234 N7 DG A 8 -1.292 -5.759 12.593 1.00 0.00 N ATOM 235 C5 DG A 8 -0.886 -4.430 12.645 1.00 0.00 C ATOM 236 C6 DG A 8 0.380 -3.856 12.992 1.00 0.00 C ATOM 237 O6 DG A 8 1.422 -4.425 13.311 1.00 0.00 O ATOM 238 N1 DG A 8 0.363 -2.465 12.945 1.00 0.00 N ATOM 239 C2 DG A 8 -0.742 -1.714 12.598 1.00 0.00 C ATOM 240 N2 DG A 8 -0.618 -0.393 12.663 1.00 0.00 N ATOM 241 N3 DG A 8 -1.924 -2.242 12.246 1.00 0.00 N ATOM 242 C4 DG A 8 -1.934 -3.603 12.299 1.00 0.00 C ATOM 0 H5' DG A 8 -7.417 -4.760 14.817 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.698 -5.008 15.050 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.010 -3.401 12.856 1.00 0.00 H new ATOM 0 H3' DG A 8 -5.856 -6.210 12.920 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.793 -5.844 10.784 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.924 -4.581 10.341 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.478 -6.527 11.421 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.286 -3.153 10.979 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.168 -6.566 12.119 1.00 0.00 H new ATOM 0 H1 DG A 8 1.222 -1.969 13.182 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.406 0.206 12.417 1.00 0.00 H new ATOM 0 H22 DG A 8 0.265 0.022 12.959 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 9.249 2.212 7.122 1.00 0.00 NA HETATM 257 NA NA A 102 0.905 3.398 18.727 1.00 0.00 NA HETATM 258 NA NA A 103 -6.437 0.620 2.698 1.00 0.00 NA HETATM 259 NA NA A 104 -5.819 0.716 17.863 1.00 0.00 NA HETATM 260 NA NA A 105 4.318 7.801 15.165 1.00 0.00 NA HETATM 261 NA NA A 106 4.372 5.301 3.679 1.00 0.00 NA HETATM 262 NA NA A 107 0.425 5.840 8.002 1.00 0.00 NA