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= -0.0546 (180deg=-0.411) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.0747 (180deg=-0.0747) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -5.511 -5.115 6.839 1.00 0.00 O ATOM 2 C5' DC A 1 -6.102 -4.039 7.540 1.00 0.00 C ATOM 3 C4' DC A 1 -5.067 -2.965 7.896 1.00 0.00 C ATOM 4 O4' DC A 1 -3.999 -3.492 8.662 1.00 0.00 O ATOM 5 C3' DC A 1 -4.432 -2.303 6.665 1.00 0.00 C ATOM 6 O3' DC A 1 -4.949 -0.987 6.535 1.00 0.00 O ATOM 7 C2' DC A 1 -2.941 -2.312 6.998 1.00 0.00 C ATOM 8 C1' DC A 1 -2.910 -2.607 8.498 1.00 0.00 C ATOM 9 N1 DC A 1 -1.592 -3.163 8.917 1.00 0.00 N ATOM 10 C2 DC A 1 -0.537 -2.264 9.136 1.00 0.00 C ATOM 11 O2 DC A 1 -0.697 -1.050 9.018 1.00 0.00 O ATOM 12 N3 DC A 1 0.685 -2.757 9.489 1.00 0.00 N ATOM 13 C4 DC A 1 0.887 -4.073 9.641 1.00 0.00 C ATOM 14 N4 DC A 1 2.113 -4.497 9.965 1.00 0.00 N ATOM 15 C5 DC A 1 -0.188 -5.011 9.464 1.00 0.00 C ATOM 16 C6 DC A 1 -1.399 -4.514 9.107 1.00 0.00 C ATOM 0 H5' DC A 1 -6.571 -4.411 8.451 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.892 -3.598 6.932 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.634 -2.227 8.463 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.634 -2.803 5.718 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.408 -3.073 6.429 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.473 -1.355 6.768 1.00 0.00 H new ATOM 0 HO5' DC A 1 -6.196 -5.783 6.628 1.00 0.00 H new ATOM 0 H1' DC A 1 -3.012 -1.728 9.134 1.00 0.00 H new ATOM 0 H41 DC A 1 2.292 -5.494 10.086 1.00 0.00 H new ATOM 0 H42 DC A 1 2.869 -3.824 10.091 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.037 -6.070 9.610 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.229 -5.191 8.969 1.00 0.00 H new ATOM 29 P DT A 2 -4.876 -0.141 5.158 1.00 0.00 P ATOM 30 OP1 DT A 2 -5.981 0.843 5.195 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.791 -1.075 4.013 1.00 0.00 O ATOM 32 O5' DT A 2 -3.484 0.662 5.269 1.00 0.00 O ATOM 33 C5' DT A 2 -3.209 1.794 4.460 1.00 0.00 C ATOM 34 C4' DT A 2 -1.988 2.578 4.967 1.00 0.00 C ATOM 35 O4' DT A 2 -2.248 3.030 6.293 1.00 0.00 O ATOM 36 C3' DT A 2 -0.694 1.751 4.997 1.00 0.00 C ATOM 37 O3' DT A 2 0.496 2.439 4.578 1.00 0.00 O ATOM 38 C2' DT A 2 -0.668 1.281 6.441 1.00 0.00 C ATOM 39 C1' DT A 2 -1.293 2.462 7.175 1.00 0.00 C ATOM 40 N1 DT A 2 -1.863 2.046 8.482 1.00 0.00 N ATOM 41 C2 DT A 2 -1.047 2.168 9.609 1.00 0.00 C ATOM 42 O2 DT A 2 0.080 2.655 9.577 1.00 0.00 O ATOM 43 N3 DT A 2 -1.577 1.720 10.809 1.00 0.00 N ATOM 44 C4 DT A 2 -2.836 1.162 10.985 1.00 0.00 C ATOM 45 O4 DT A 2 -3.194 0.818 12.107 1.00 0.00 O ATOM 46 C5 DT A 2 -3.619 1.051 9.763 1.00 0.00 C ATOM 47 C7 DT A 2 -5.013 0.455 9.824 1.00 0.00 C ATOM 48 C6 DT A 2 -3.118 1.480 8.575 1.00 0.00 C ATOM 0 H5' DT A 2 -4.080 2.449 4.444 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.033 1.472 3.433 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.837 3.401 4.269 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.697 0.942 4.266 1.00 0.00 H new ATOM 0 H2' DT A 2 -1.241 0.365 6.581 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.346 1.078 6.785 1.00 0.00 H new ATOM 0 H1' DT A 2 -0.548 3.215 7.432 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.989 1.808 11.638 1.00 0.00 H new ATOM 0 H71 DT A 2 -5.062 -0.274 10.633 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.740 1.247 10.005 1.00 0.00 H new ATOM 0 H73 DT A 2 -5.240 -0.037 8.878 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.716 1.375 7.682 1.00 0.00 H new ATOM 61 P DT A 3 1.028 3.938 5.002 1.00 0.00 P ATOM 62 OP1 DT A 3 -0.112 4.871 5.112 1.00 0.00 O ATOM 63 OP2 DT A 3 2.110 4.280 4.054 1.00 0.00 O ATOM 64 O5' DT A 3 1.698 3.861 6.481 1.00 0.00 O ATOM 65 C5' DT A 3 2.417 2.737 6.951 1.00 0.00 C ATOM 66 C4' DT A 3 3.916 2.948 7.158 1.00 0.00 C ATOM 67 O4' DT A 3 4.414 1.760 7.753 1.00 0.00 O ATOM 68 C3' DT A 3 4.710 3.142 5.864 1.00 0.00 C ATOM 69 O3' DT A 3 5.869 3.945 6.035 1.00 0.00 O ATOM 70 C2' DT A 3 5.054 1.714 5.460 1.00 0.00 C ATOM 71 C1' DT A 3 5.153 1.004 6.810 1.00 0.00 C ATOM 72 N1 DT A 3 4.711 -0.425 6.772 1.00 0.00 N ATOM 73 C2 DT A 3 5.675 -1.422 6.971 1.00 0.00 C ATOM 74 O2 DT A 3 6.863 -1.183 7.181 1.00 0.00 O ATOM 75 N3 DT A 3 5.232 -2.739 6.905 1.00 0.00 N ATOM 76 C4 DT A 3 3.934 -3.151 6.629 1.00 0.00 C ATOM 77 O4 DT A 3 3.666 -4.351 6.602 1.00 0.00 O ATOM 78 C5 DT A 3 3.000 -2.063 6.381 1.00 0.00 C ATOM 79 C7 DT A 3 1.555 -2.374 6.027 1.00 0.00 C ATOM 80 C6 DT A 3 3.407 -0.768 6.458 1.00 0.00 C ATOM 0 H5' DT A 3 2.278 1.919 6.244 1.00 0.00 H new ATOM 0 H5'' DT A 3 1.980 2.419 7.897 1.00 0.00 H new ATOM 0 H4' DT A 3 4.035 3.852 7.756 1.00 0.00 H new ATOM 0 H3' DT A 3 4.144 3.682 5.105 1.00 0.00 H new ATOM 0 H2' DT A 3 4.284 1.275 4.826 1.00 0.00 H new ATOM 0 H2'' DT A 3 5.991 1.664 4.905 1.00 0.00 H new ATOM 0 H1' DT A 3 6.203 0.953 7.099 1.00 0.00 H new ATOM 0 H3 DT A 3 5.924 -3.469 7.075 1.00 0.00 H new ATOM 0 H71 DT A 3 0.912 -1.570 6.385 1.00 0.00 H new ATOM 0 H72 DT A 3 1.457 -2.463 4.945 1.00 0.00 H new ATOM 0 H73 DT A 3 1.259 -3.312 6.497 1.00 0.00 H new ATOM 0 H6 DT A 3 2.691 0.018 6.268 1.00 0.00 H new ATOM 93 P DG A 4 5.781 5.558 6.203 1.00 0.00 P ATOM 94 OP1 DG A 4 4.546 6.032 5.533 1.00 0.00 O ATOM 95 OP2 DG A 4 7.086 6.132 5.809 1.00 0.00 O ATOM 96 O5' DG A 4 5.583 5.778 7.789 1.00 0.00 O ATOM 97 C5' DG A 4 6.653 5.669 8.710 1.00 0.00 C ATOM 98 C4' DG A 4 6.139 4.990 9.978 1.00 0.00 C ATOM 99 O4' DG A 4 5.857 3.633 9.700 1.00 0.00 O ATOM 100 C3' DG A 4 7.147 4.992 11.136 1.00 0.00 C ATOM 101 O3' DG A 4 6.568 5.683 12.235 1.00 0.00 O ATOM 102 C2' DG A 4 7.340 3.503 11.426 1.00 0.00 C ATOM 103 C1' DG A 4 6.033 2.916 10.897 1.00 0.00 C ATOM 104 N9 DG A 4 6.074 1.460 10.628 1.00 0.00 N ATOM 105 C8 DG A 4 7.144 0.612 10.482 1.00 0.00 C ATOM 106 N7 DG A 4 6.821 -0.647 10.365 1.00 0.00 N ATOM 107 C5 DG A 4 5.430 -0.644 10.419 1.00 0.00 C ATOM 108 C6 DG A 4 4.485 -1.716 10.281 1.00 0.00 C ATOM 109 O6 DG A 4 4.691 -2.917 10.117 1.00 0.00 O ATOM 110 N1 DG A 4 3.170 -1.268 10.328 1.00 0.00 N ATOM 111 C2 DG A 4 2.802 0.048 10.509 1.00 0.00 C ATOM 112 N2 DG A 4 1.502 0.312 10.467 1.00 0.00 N ATOM 113 N3 DG A 4 3.674 1.050 10.686 1.00 0.00 N ATOM 114 C4 DG A 4 4.972 0.641 10.617 1.00 0.00 C ATOM 0 H5' DG A 4 7.052 6.656 8.945 1.00 0.00 H new ATOM 0 H5'' DG A 4 7.468 5.091 8.275 1.00 0.00 H new ATOM 0 H4' DG A 4 5.260 5.559 10.280 1.00 0.00 H new ATOM 0 H3' DG A 4 8.095 5.486 10.925 1.00 0.00 H new ATOM 0 H2' DG A 4 8.210 3.095 10.912 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.477 3.307 12.489 1.00 0.00 H new ATOM 0 H1' DG A 4 5.228 3.010 11.626 1.00 0.00 H new ATOM 0 H8 DG A 4 8.167 0.958 10.465 1.00 0.00 H new ATOM 0 H1 DG A 4 2.428 -1.959 10.221 1.00 0.00 H new ATOM 0 H21 DG A 4 1.171 1.268 10.595 1.00 0.00 H new ATOM 0 H22 DG A 4 0.834 -0.442 10.307 1.00 0.00 H new ATOM 126 P DC A 5 7.440 6.267 13.467 1.00 0.00 P ATOM 127 OP1 DC A 5 6.553 7.159 14.250 1.00 0.00 O ATOM 128 OP2 DC A 5 8.706 6.803 12.918 1.00 0.00 O ATOM 129 O5' DC A 5 7.775 4.954 14.356 1.00 0.00 O ATOM 130 C5' DC A 5 6.937 4.511 15.411 1.00 0.00 C ATOM 131 C4' DC A 5 5.548 4.072 14.934 1.00 0.00 C ATOM 132 O4' DC A 5 5.591 2.834 14.267 1.00 0.00 O ATOM 133 C3' DC A 5 4.593 3.894 16.114 1.00 0.00 C ATOM 134 O3' DC A 5 3.826 5.081 16.204 1.00 0.00 O ATOM 135 C2' DC A 5 3.787 2.645 15.745 1.00 0.00 C ATOM 136 C1' DC A 5 4.305 2.258 14.357 1.00 0.00 C ATOM 137 N1 DC A 5 4.338 0.780 14.173 1.00 0.00 N ATOM 138 C2 DC A 5 3.141 0.129 13.851 1.00 0.00 C ATOM 139 O2 DC A 5 2.087 0.753 13.749 1.00 0.00 O ATOM 140 N3 DC A 5 3.157 -1.222 13.668 1.00 0.00 N ATOM 141 C4 DC A 5 4.291 -1.924 13.784 1.00 0.00 C ATOM 142 N4 DC A 5 4.236 -3.245 13.600 1.00 0.00 N ATOM 143 C5 DC A 5 5.536 -1.279 14.104 1.00 0.00 C ATOM 144 C6 DC A 5 5.511 0.066 14.289 1.00 0.00 C ATOM 0 H5' DC A 5 6.827 5.313 16.140 1.00 0.00 H new ATOM 0 H5'' DC A 5 7.418 3.678 15.924 1.00 0.00 H new ATOM 0 H4' DC A 5 5.203 4.857 14.261 1.00 0.00 H new ATOM 0 H3' DC A 5 5.050 3.750 17.093 1.00 0.00 H new ATOM 0 H2' DC A 5 3.944 1.843 16.466 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.717 2.853 15.727 1.00 0.00 H new ATOM 0 H1' DC A 5 3.650 2.623 13.565 1.00 0.00 H new ATOM 0 H41 DC A 5 5.083 -3.807 13.682 1.00 0.00 H new ATOM 0 H42 DC A 5 3.347 -3.692 13.378 1.00 0.00 H new ATOM 0 H5 DC A 5 6.454 -1.842 14.194 1.00 0.00 H new ATOM 0 H6 DC A 5 6.426 0.585 14.531 1.00 0.00 H new ATOM 156 P DG A 6 2.780 5.379 17.394 1.00 0.00 P ATOM 157 OP1 DG A 6 2.647 6.849 17.500 1.00 0.00 O ATOM 158 OP2 DG A 6 3.157 4.584 18.583 1.00 0.00 O ATOM 159 O5' DG A 6 1.404 4.776 16.822 1.00 0.00 O ATOM 160 C5' DG A 6 0.804 5.282 15.648 1.00 0.00 C ATOM 161 C4' DG A 6 -0.599 4.689 15.524 1.00 0.00 C ATOM 162 O4' DG A 6 -1.265 5.181 14.371 1.00 0.00 O ATOM 163 C3' DG A 6 -0.609 3.175 15.368 1.00 0.00 C ATOM 164 O3' DG A 6 -1.896 2.737 15.761 1.00 0.00 O ATOM 165 C2' DG A 6 -0.434 2.996 13.871 1.00 0.00 C ATOM 166 C1' DG A 6 -1.211 4.203 13.338 1.00 0.00 C ATOM 167 N9 DG A 6 -0.641 4.831 12.116 1.00 0.00 N ATOM 168 C8 DG A 6 0.645 5.257 11.893 1.00 0.00 C ATOM 169 N7 DG A 6 0.859 5.743 10.704 1.00 0.00 N ATOM 170 C5 DG A 6 -0.375 5.631 10.074 1.00 0.00 C ATOM 171 C6 DG A 6 -0.751 5.961 8.733 1.00 0.00 C ATOM 172 O6 DG A 6 -0.052 6.441 7.844 1.00 0.00 O ATOM 173 N1 DG A 6 -2.087 5.665 8.464 1.00 0.00 N ATOM 174 C2 DG A 6 -2.963 5.130 9.391 1.00 0.00 C ATOM 175 N2 DG A 6 -4.205 4.880 8.970 1.00 0.00 N ATOM 176 N3 DG A 6 -2.618 4.832 10.657 1.00 0.00 N ATOM 177 C4 DG A 6 -1.309 5.097 10.938 1.00 0.00 C ATOM 0 H5' DG A 6 1.403 5.023 14.775 1.00 0.00 H new ATOM 0 H5'' DG A 6 0.753 6.370 15.688 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.092 4.979 16.452 1.00 0.00 H new ATOM 0 H3' DG A 6 0.141 2.635 15.945 1.00 0.00 H new ATOM 0 H2' DG A 6 0.614 3.017 13.573 1.00 0.00 H new ATOM 0 H2'' DG A 6 -0.847 2.051 13.518 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.194 3.833 13.047 1.00 0.00 H new ATOM 0 H8 DG A 6 1.418 5.194 12.644 1.00 0.00 H new ATOM 0 H1 DG A 6 -2.440 5.855 7.526 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.892 4.485 9.613 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.467 5.084 8.006 1.00 0.00 H new ATOM 189 P DT A 7 -2.178 1.943 17.130 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.506 2.347 17.640 1.00 0.00 O ATOM 191 OP2 DT A 7 -0.989 2.022 18.011 1.00 0.00 O ATOM 192 O5' DT A 7 -2.289 0.454 16.552 1.00 0.00 O ATOM 193 C5' DT A 7 -3.214 0.131 15.530 1.00 0.00 C ATOM 194 C4' DT A 7 -3.595 -1.348 15.565 1.00 0.00 C ATOM 195 O4' DT A 7 -2.504 -2.144 15.143 1.00 0.00 O ATOM 196 C3' DT A 7 -3.989 -1.800 16.978 1.00 0.00 C ATOM 197 O3' DT A 7 -5.136 -2.635 17.028 1.00 0.00 O ATOM 198 C2' DT A 7 -2.764 -2.561 17.469 1.00 0.00 C ATOM 199 C1' DT A 7 -2.103 -3.027 16.170 1.00 0.00 C ATOM 200 N1 DT A 7 -0.616 -3.054 16.271 1.00 0.00 N ATOM 201 C2 DT A 7 0.027 -4.292 16.390 1.00 0.00 C ATOM 202 O2 DT A 7 -0.552 -5.368 16.262 1.00 0.00 O ATOM 203 N3 DT A 7 1.388 -4.256 16.677 1.00 0.00 N ATOM 204 C4 DT A 7 2.147 -3.110 16.889 1.00 0.00 C ATOM 205 O4 DT A 7 3.340 -3.210 17.167 1.00 0.00 O ATOM 206 C5 DT A 7 1.405 -1.864 16.751 1.00 0.00 C ATOM 207 C7 DT A 7 2.093 -0.532 16.988 1.00 0.00 C ATOM 208 C6 DT A 7 0.089 -1.878 16.422 1.00 0.00 C ATOM 0 H5' DT A 7 -2.783 0.374 14.558 1.00 0.00 H new ATOM 0 H5'' DT A 7 -4.110 0.741 15.643 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.447 -1.472 14.896 1.00 0.00 H new ATOM 0 H3' DT A 7 -4.263 -0.940 17.589 1.00 0.00 H new ATOM 0 H2' DT A 7 -2.100 -1.923 18.053 1.00 0.00 H new ATOM 0 H2'' DT A 7 -3.040 -3.402 18.105 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.419 -4.048 15.958 1.00 0.00 H new ATOM 0 H3 DT A 7 1.873 -5.151 16.737 1.00 0.00 H new ATOM 0 H71 DT A 7 1.626 0.234 16.369 1.00 0.00 H new ATOM 0 H72 DT A 7 2.000 -0.256 18.038 1.00 0.00 H new ATOM 0 H73 DT A 7 3.148 -0.616 16.727 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.423 -0.939 16.274 1.00 0.00 H new ATOM 221 P DG A 8 -6.622 -2.099 16.668 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.663 -0.633 16.883 1.00 0.00 O ATOM 223 OP2 DG A 8 -7.606 -2.968 17.350 1.00 0.00 O ATOM 224 O5' DG A 8 -6.716 -2.375 15.082 1.00 0.00 O ATOM 225 C5' DG A 8 -6.776 -3.690 14.565 1.00 0.00 C ATOM 226 C4' DG A 8 -6.219 -3.707 13.142 1.00 0.00 C ATOM 227 O4' DG A 8 -4.855 -3.342 13.112 1.00 0.00 O ATOM 228 C3' DG A 8 -6.256 -5.089 12.497 1.00 0.00 C ATOM 229 O3' DG A 8 -7.541 -5.413 12.005 1.00 0.00 O ATOM 230 C2' DG A 8 -5.263 -4.888 11.359 1.00 0.00 C ATOM 231 C1' DG A 8 -4.278 -3.856 11.925 1.00 0.00 C ATOM 232 N9 DG A 8 -2.940 -4.397 12.259 1.00 0.00 N ATOM 233 C8 DG A 8 -2.540 -5.686 12.516 1.00 0.00 C ATOM 234 N7 DG A 8 -1.276 -5.806 12.813 1.00 0.00 N ATOM 235 C5 DG A 8 -0.796 -4.500 12.778 1.00 0.00 C ATOM 236 C6 DG A 8 0.511 -3.975 13.055 1.00 0.00 C ATOM 237 O6 DG A 8 1.539 -4.582 13.350 1.00 0.00 O ATOM 238 N1 DG A 8 0.550 -2.585 12.979 1.00 0.00 N ATOM 239 C2 DG A 8 -0.536 -1.795 12.656 1.00 0.00 C ATOM 240 N2 DG A 8 -0.384 -0.480 12.758 1.00 0.00 N ATOM 241 N3 DG A 8 -1.739 -2.282 12.324 1.00 0.00 N ATOM 242 C4 DG A 8 -1.811 -3.637 12.430 1.00 0.00 C ATOM 0 H5' DG A 8 -7.806 -4.046 14.567 1.00 0.00 H new ATOM 0 H5'' DG A 8 -6.203 -4.367 15.199 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.856 -3.005 12.604 1.00 0.00 H new ATOM 0 H3' DG A 8 -6.020 -5.907 13.177 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.762 -5.819 11.094 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.754 -4.522 10.457 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.521 -6.305 11.599 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.116 -3.105 11.152 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.215 -6.528 12.475 1.00 0.00 H new ATOM 0 H1 DG A 8 1.437 -2.121 13.174 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.159 0.142 12.530 1.00 0.00 H new ATOM 0 H22 DG A 8 0.508 -0.092 13.065 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 8.017 8.363 11.089 1.00 0.00 NA HETATM 257 NA NA A 102 1.092 3.078 18.855 1.00 0.00 NA HETATM 258 NA NA A 103 -7.118 -0.314 3.177 1.00 0.00 NA HETATM 259 NA NA A 104 -5.858 1.664 17.274 1.00 0.00 NA HETATM 260 NA NA A 105 4.631 7.571 15.889 1.00 0.00 NA HETATM 261 NA NA A 106 4.285 5.179 3.183 1.00 0.00 NA HETATM 262 NA NA A 107 2.164 6.402 6.512 1.00 0.00 NA