USER MOD reduce.3.24.130724 H: found=0, std=0, add=93, rem=0, adj=2 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 150:sc= 0 (180deg=0) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 0.053 -5.830 17.370 1.00 0.00 O ATOM 2 C5' DC A 1 0.593 -4.684 16.744 1.00 0.00 C ATOM 3 C4' DC A 1 -0.425 -4.057 15.780 1.00 0.00 C ATOM 4 O4' DC A 1 0.148 -2.887 15.214 1.00 0.00 O ATOM 5 C3' DC A 1 -0.795 -4.987 14.615 1.00 0.00 C ATOM 6 O3' DC A 1 -2.134 -4.713 14.226 1.00 0.00 O ATOM 7 C2' DC A 1 0.225 -4.574 13.559 1.00 0.00 C ATOM 8 C1' DC A 1 0.301 -3.071 13.818 1.00 0.00 C ATOM 9 N1 DC A 1 1.555 -2.441 13.314 1.00 0.00 N ATOM 10 C2 DC A 1 1.472 -1.504 12.274 1.00 0.00 C ATOM 11 O2 DC A 1 0.387 -1.109 11.852 1.00 0.00 O ATOM 12 N3 DC A 1 2.627 -1.027 11.723 1.00 0.00 N ATOM 13 C4 DC A 1 3.825 -1.425 12.172 1.00 0.00 C ATOM 14 N4 DC A 1 4.922 -0.930 11.594 1.00 0.00 N ATOM 15 C5 DC A 1 3.938 -2.374 13.246 1.00 0.00 C ATOM 16 C6 DC A 1 2.786 -2.854 13.775 1.00 0.00 C ATOM 0 H5' DC A 1 1.498 -4.954 16.199 1.00 0.00 H new ATOM 0 H5'' DC A 1 0.882 -3.954 17.500 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.326 -3.850 16.358 1.00 0.00 H new ATOM 0 H3' DC A 1 -0.762 -6.057 14.823 1.00 0.00 H new ATOM 0 H2' DC A 1 1.187 -5.068 13.697 1.00 0.00 H new ATOM 0 H2'' DC A 1 -0.109 -4.804 12.547 1.00 0.00 H new ATOM 0 HO5' DC A 1 0.718 -6.215 17.978 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.492 -2.570 13.263 1.00 0.00 H new ATOM 0 H41 DC A 1 5.845 -1.219 11.919 1.00 0.00 H new ATOM 0 H42 DC A 1 4.838 -0.263 10.827 1.00 0.00 H new ATOM 0 H5 DC A 1 4.902 -2.692 13.616 1.00 0.00 H new ATOM 0 H6 DC A 1 2.834 -3.577 14.576 1.00 0.00 H new ATOM 29 P DT A 2 -2.958 -5.655 13.204 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.398 -5.367 13.392 1.00 0.00 O ATOM 31 OP2 DT A 2 -2.485 -7.051 13.341 1.00 0.00 O ATOM 32 O5' DT A 2 -2.532 -5.110 11.753 1.00 0.00 O ATOM 33 C5' DT A 2 -3.063 -5.681 10.572 1.00 0.00 C ATOM 34 C4' DT A 2 -2.777 -4.798 9.352 1.00 0.00 C ATOM 35 O4' DT A 2 -3.440 -3.547 9.514 1.00 0.00 O ATOM 36 C3' DT A 2 -1.287 -4.529 9.113 1.00 0.00 C ATOM 37 O3' DT A 2 -0.881 -4.749 7.759 1.00 0.00 O ATOM 38 C2' DT A 2 -1.117 -3.103 9.613 1.00 0.00 C ATOM 39 C1' DT A 2 -2.499 -2.491 9.400 1.00 0.00 C ATOM 40 N1 DT A 2 -2.732 -1.398 10.383 1.00 0.00 N ATOM 41 C2 DT A 2 -2.430 -0.090 9.988 1.00 0.00 C ATOM 42 O2 DT A 2 -2.239 0.240 8.816 1.00 0.00 O ATOM 43 N3 DT A 2 -2.321 0.850 11.007 1.00 0.00 N ATOM 44 C4 DT A 2 -2.510 0.609 12.363 1.00 0.00 C ATOM 45 O4 DT A 2 -2.349 1.519 13.171 1.00 0.00 O ATOM 46 C5 DT A 2 -2.893 -0.758 12.682 1.00 0.00 C ATOM 47 C7 DT A 2 -3.163 -1.144 14.125 1.00 0.00 C ATOM 48 C6 DT A 2 -2.988 -1.695 11.704 1.00 0.00 C ATOM 0 H5' DT A 2 -4.139 -5.816 10.682 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.632 -6.670 10.417 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.145 -5.347 8.485 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.630 -5.222 9.639 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.822 -3.077 10.662 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.349 -2.569 9.053 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.595 -2.032 8.416 1.00 0.00 H new ATOM 0 H3 DT A 2 -2.080 1.803 10.735 1.00 0.00 H new ATOM 0 H71 DT A 2 -3.902 -1.945 14.155 1.00 0.00 H new ATOM 0 H72 DT A 2 -2.238 -1.486 14.589 1.00 0.00 H new ATOM 0 H73 DT A 2 -3.543 -0.279 14.668 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.273 -2.703 11.969 1.00 0.00 H new ATOM 61 P DT A 3 -1.510 -4.092 6.396 1.00 0.00 P ATOM 62 OP1 DT A 3 -2.962 -3.860 6.545 1.00 0.00 O ATOM 63 OP2 DT A 3 -1.063 -4.953 5.282 1.00 0.00 O ATOM 64 O5' DT A 3 -0.827 -2.634 6.211 1.00 0.00 O ATOM 65 C5' DT A 3 0.562 -2.418 6.365 1.00 0.00 C ATOM 66 C4' DT A 3 1.285 -2.077 5.057 1.00 0.00 C ATOM 67 O4' DT A 3 2.600 -1.657 5.370 1.00 0.00 O ATOM 68 C3' DT A 3 1.470 -3.237 4.075 1.00 0.00 C ATOM 69 O3' DT A 3 1.628 -2.782 2.738 1.00 0.00 O ATOM 70 C2' DT A 3 2.733 -3.915 4.594 1.00 0.00 C ATOM 71 C1' DT A 3 3.501 -2.744 5.222 1.00 0.00 C ATOM 72 N1 DT A 3 4.206 -3.017 6.517 1.00 0.00 N ATOM 73 C2 DT A 3 5.493 -2.479 6.668 1.00 0.00 C ATOM 74 O2 DT A 3 6.079 -1.860 5.781 1.00 0.00 O ATOM 75 N3 DT A 3 6.113 -2.672 7.896 1.00 0.00 N ATOM 76 C4 DT A 3 5.568 -3.333 8.989 1.00 0.00 C ATOM 77 O4 DT A 3 6.211 -3.419 10.033 1.00 0.00 O ATOM 78 C5 DT A 3 4.240 -3.879 8.755 1.00 0.00 C ATOM 79 C7 DT A 3 3.536 -4.635 9.869 1.00 0.00 C ATOM 80 C6 DT A 3 3.620 -3.723 7.555 1.00 0.00 C ATOM 0 H5' DT A 3 1.013 -3.312 6.796 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.717 -1.607 7.077 1.00 0.00 H new ATOM 0 H4' DT A 3 0.651 -1.328 4.582 1.00 0.00 H new ATOM 0 H3' DT A 3 0.608 -3.903 4.032 1.00 0.00 H new ATOM 0 H2' DT A 3 2.506 -4.691 5.325 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.299 -4.388 3.792 1.00 0.00 H new ATOM 0 H1' DT A 3 4.318 -2.524 4.535 1.00 0.00 H new ATOM 0 H3 DT A 3 7.054 -2.294 8.005 1.00 0.00 H new ATOM 0 H71 DT A 3 2.458 -4.511 9.768 1.00 0.00 H new ATOM 0 H72 DT A 3 3.787 -5.694 9.805 1.00 0.00 H new ATOM 0 H73 DT A 3 3.858 -4.244 10.834 1.00 0.00 H new ATOM 0 H6 DT A 3 2.644 -4.161 7.407 1.00 0.00 H new ATOM 93 P DG A 4 0.351 -2.467 1.786 1.00 0.00 P ATOM 94 OP1 DG A 4 -0.711 -3.458 2.070 1.00 0.00 O ATOM 95 OP2 DG A 4 0.857 -2.317 0.403 1.00 0.00 O ATOM 96 O5' DG A 4 -0.170 -1.025 2.293 1.00 0.00 O ATOM 97 C5' DG A 4 0.448 0.176 1.874 1.00 0.00 C ATOM 98 C4' DG A 4 0.054 1.325 2.809 1.00 0.00 C ATOM 99 O4' DG A 4 0.620 1.099 4.094 1.00 0.00 O ATOM 100 C3' DG A 4 0.610 2.659 2.300 1.00 0.00 C ATOM 101 O3' DG A 4 -0.286 3.708 2.641 1.00 0.00 O ATOM 102 C2' DG A 4 1.924 2.749 3.063 1.00 0.00 C ATOM 103 C1' DG A 4 1.511 2.154 4.409 1.00 0.00 C ATOM 104 N9 DG A 4 2.655 1.698 5.240 1.00 0.00 N ATOM 105 C8 DG A 4 3.996 1.643 4.937 1.00 0.00 C ATOM 106 N7 DG A 4 4.751 1.215 5.908 1.00 0.00 N ATOM 107 C5 DG A 4 3.856 0.942 6.935 1.00 0.00 C ATOM 108 C6 DG A 4 4.092 0.437 8.256 1.00 0.00 C ATOM 109 O6 DG A 4 5.160 0.153 8.793 1.00 0.00 O ATOM 110 N1 DG A 4 2.915 0.277 8.979 1.00 0.00 N ATOM 111 C2 DG A 4 1.662 0.595 8.501 1.00 0.00 C ATOM 112 N2 DG A 4 0.647 0.394 9.335 1.00 0.00 N ATOM 113 N3 DG A 4 1.430 1.087 7.271 1.00 0.00 N ATOM 114 C4 DG A 4 2.569 1.232 6.533 1.00 0.00 C ATOM 0 H5' DG A 4 0.150 0.410 0.852 1.00 0.00 H new ATOM 0 H5'' DG A 4 1.531 0.055 1.870 1.00 0.00 H new ATOM 0 H4' DG A 4 -1.034 1.365 2.850 1.00 0.00 H new ATOM 0 H3' DG A 4 0.741 2.733 1.220 1.00 0.00 H new ATOM 0 H2' DG A 4 2.720 2.178 2.585 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.279 3.775 3.156 1.00 0.00 H new ATOM 0 H1' DG A 4 1.040 2.914 5.032 1.00 0.00 H new ATOM 0 H8 DG A 4 4.390 1.931 3.974 1.00 0.00 H new ATOM 0 H1 DG A 4 2.983 -0.100 9.924 1.00 0.00 H new ATOM 0 H21 DG A 4 -0.305 0.610 9.041 1.00 0.00 H new ATOM 0 H22 DG A 4 0.820 0.024 10.270 1.00 0.00 H new ATOM 126 P DC A 5 -0.230 5.166 1.938 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.509 5.849 2.243 1.00 0.00 O ATOM 128 OP2 DC A 5 0.182 4.991 0.527 1.00 0.00 O ATOM 129 O5' DC A 5 0.965 5.934 2.720 1.00 0.00 O ATOM 130 C5' DC A 5 0.738 6.696 3.895 1.00 0.00 C ATOM 131 C4' DC A 5 0.499 5.793 5.108 1.00 0.00 C ATOM 132 O4' DC A 5 1.682 5.154 5.545 1.00 0.00 O ATOM 133 C3' DC A 5 -0.023 6.580 6.314 1.00 0.00 C ATOM 134 O3' DC A 5 -1.445 6.471 6.372 1.00 0.00 O ATOM 135 C2' DC A 5 0.809 6.031 7.483 1.00 0.00 C ATOM 136 C1' DC A 5 1.469 4.790 6.896 1.00 0.00 C ATOM 137 N1 DC A 5 2.707 4.450 7.645 1.00 0.00 N ATOM 138 C2 DC A 5 2.584 3.861 8.913 1.00 0.00 C ATOM 139 O2 DC A 5 1.483 3.645 9.420 1.00 0.00 O ATOM 140 N3 DC A 5 3.719 3.521 9.588 1.00 0.00 N ATOM 141 C4 DC A 5 4.931 3.752 9.067 1.00 0.00 C ATOM 142 N4 DC A 5 6.007 3.404 9.773 1.00 0.00 N ATOM 143 C5 DC A 5 5.075 4.368 7.778 1.00 0.00 C ATOM 144 C6 DC A 5 3.947 4.687 7.104 1.00 0.00 C ATOM 0 H5' DC A 5 -0.124 7.346 3.748 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.596 7.342 4.083 1.00 0.00 H new ATOM 0 H4' DC A 5 -0.233 5.061 4.767 1.00 0.00 H new ATOM 0 H3' DC A 5 0.107 7.662 6.298 1.00 0.00 H new ATOM 0 H2' DC A 5 1.548 6.755 7.825 1.00 0.00 H new ATOM 0 H2'' DC A 5 0.183 5.785 8.341 1.00 0.00 H new ATOM 0 H1' DC A 5 0.875 3.879 6.967 1.00 0.00 H new ATOM 0 H41 DC A 5 6.940 3.570 9.396 1.00 0.00 H new ATOM 0 H42 DC A 5 5.897 2.971 10.690 1.00 0.00 H new ATOM 0 H5 DC A 5 6.051 4.570 7.361 1.00 0.00 H new ATOM 0 H6 DC A 5 4.022 5.135 6.124 1.00 0.00 H new ATOM 156 P DA A 6 -2.304 5.201 6.919 1.00 0.00 P ATOM 157 OP1 DA A 6 -1.565 3.942 6.674 1.00 0.00 O ATOM 158 OP2 DA A 6 -3.673 5.342 6.377 1.00 0.00 O ATOM 159 O5' DA A 6 -2.370 5.447 8.506 1.00 0.00 O ATOM 160 C5' DA A 6 -2.926 6.630 9.055 1.00 0.00 C ATOM 161 C4' DA A 6 -3.246 6.461 10.546 1.00 0.00 C ATOM 162 O4' DA A 6 -4.379 5.622 10.713 1.00 0.00 O ATOM 163 C3' DA A 6 -2.083 5.840 11.324 1.00 0.00 C ATOM 164 O3' DA A 6 -1.991 6.423 12.613 1.00 0.00 O ATOM 165 C2' DA A 6 -2.476 4.372 11.423 1.00 0.00 C ATOM 166 C1' DA A 6 -4.004 4.423 11.368 1.00 0.00 C ATOM 167 N9 DA A 6 -4.597 3.258 10.666 1.00 0.00 N ATOM 168 C8 DA A 6 -4.452 2.885 9.350 1.00 0.00 C ATOM 169 N7 DA A 6 -5.032 1.760 9.042 1.00 0.00 N ATOM 170 C5 DA A 6 -5.587 1.336 10.246 1.00 0.00 C ATOM 171 C6 DA A 6 -6.305 0.175 10.624 1.00 0.00 C ATOM 172 N6 DA A 6 -6.596 -0.817 9.777 1.00 0.00 N ATOM 173 N1 DA A 6 -6.701 0.048 11.906 1.00 0.00 N ATOM 174 C2 DA A 6 -6.403 1.019 12.768 1.00 0.00 C ATOM 175 N3 DA A 6 -5.731 2.150 12.544 1.00 0.00 N ATOM 176 C4 DA A 6 -5.341 2.252 11.241 1.00 0.00 C ATOM 0 H5' DA A 6 -3.835 6.891 8.514 1.00 0.00 H new ATOM 0 H5'' DA A 6 -2.228 7.457 8.923 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.438 7.461 10.936 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.113 5.990 10.850 1.00 0.00 H new ATOM 0 H2' DA A 6 -2.061 3.787 10.602 1.00 0.00 H new ATOM 0 H2'' DA A 6 -2.120 3.920 12.349 1.00 0.00 H new ATOM 0 H1' DA A 6 -4.384 4.391 12.389 1.00 0.00 H new ATOM 0 H8 DA A 6 -3.903 3.476 8.632 1.00 0.00 H new ATOM 0 H61 DA A 6 -7.116 -1.631 10.104 1.00 0.00 H new ATOM 0 H62 DA A 6 -6.298 -0.760 8.803 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.751 0.872 13.780 1.00 0.00 H new ATOM 188 P DT A 7 -0.574 6.882 13.231 1.00 0.00 P ATOM 189 OP1 DT A 7 -0.827 7.580 14.511 1.00 0.00 O ATOM 190 OP2 DT A 7 0.194 7.588 12.181 1.00 0.00 O ATOM 191 O5' DT A 7 0.176 5.486 13.537 1.00 0.00 O ATOM 192 C5' DT A 7 -0.174 4.634 14.616 1.00 0.00 C ATOM 193 C4' DT A 7 0.997 4.463 15.599 1.00 0.00 C ATOM 194 O4' DT A 7 2.188 4.177 14.878 1.00 0.00 O ATOM 195 C3' DT A 7 1.278 5.727 16.427 1.00 0.00 C ATOM 196 O3' DT A 7 1.654 5.430 17.766 1.00 0.00 O ATOM 197 C2' DT A 7 2.453 6.372 15.708 1.00 0.00 C ATOM 198 C1' DT A 7 3.182 5.134 15.187 1.00 0.00 C ATOM 199 N1 DT A 7 4.054 5.414 14.008 1.00 0.00 N ATOM 200 C2 DT A 7 5.437 5.236 14.141 1.00 0.00 C ATOM 201 O2 DT A 7 5.968 4.778 15.151 1.00 0.00 O ATOM 202 N3 DT A 7 6.219 5.622 13.057 1.00 0.00 N ATOM 203 C4 DT A 7 5.751 6.175 11.870 1.00 0.00 C ATOM 204 O4 DT A 7 6.548 6.492 10.989 1.00 0.00 O ATOM 205 C5 DT A 7 4.304 6.326 11.808 1.00 0.00 C ATOM 206 C7 DT A 7 3.659 6.924 10.569 1.00 0.00 C ATOM 207 C6 DT A 7 3.522 5.941 12.850 1.00 0.00 C ATOM 0 H5' DT A 7 -0.472 3.659 14.230 1.00 0.00 H new ATOM 0 H5'' DT A 7 -1.035 5.046 15.142 1.00 0.00 H new ATOM 0 H4' DT A 7 0.710 3.654 16.270 1.00 0.00 H new ATOM 0 H3' DT A 7 0.392 6.357 16.500 1.00 0.00 H new ATOM 0 H2' DT A 7 2.133 7.033 14.903 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.074 6.965 16.379 1.00 0.00 H new ATOM 0 H1' DT A 7 3.865 4.766 15.952 1.00 0.00 H new ATOM 0 H3 DT A 7 7.227 5.487 13.140 1.00 0.00 H new ATOM 0 H71 DT A 7 2.662 6.504 10.439 1.00 0.00 H new ATOM 0 H72 DT A 7 3.585 8.005 10.683 1.00 0.00 H new ATOM 0 H73 DT A 7 4.267 6.692 9.694 1.00 0.00 H new ATOM 0 H6 DT A 7 2.451 6.051 12.769 1.00 0.00 H new ATOM 220 P DG A 8 0.583 4.996 18.899 1.00 0.00 P ATOM 221 OP1 DG A 8 -0.705 5.669 18.615 1.00 0.00 O ATOM 222 OP2 DG A 8 1.211 5.199 20.224 1.00 0.00 O ATOM 223 O5' DG A 8 0.377 3.412 18.677 1.00 0.00 O ATOM 224 C5' DG A 8 1.410 2.483 18.947 1.00 0.00 C ATOM 225 C4' DG A 8 0.958 1.086 18.511 1.00 0.00 C ATOM 226 O4' DG A 8 0.699 1.043 17.114 1.00 0.00 O ATOM 227 C3' DG A 8 2.004 0.010 18.816 1.00 0.00 C ATOM 228 O3' DG A 8 1.796 -0.599 20.075 1.00 0.00 O ATOM 229 C2' DG A 8 1.756 -0.981 17.685 1.00 0.00 C ATOM 230 C1' DG A 8 1.373 -0.058 16.527 1.00 0.00 C ATOM 231 N9 DG A 8 2.533 0.445 15.746 1.00 0.00 N ATOM 232 C8 DG A 8 3.878 0.408 16.031 1.00 0.00 C ATOM 233 N7 DG A 8 4.634 0.960 15.125 1.00 0.00 N ATOM 234 C5 DG A 8 3.733 1.403 14.164 1.00 0.00 C ATOM 235 C6 DG A 8 3.969 2.097 12.934 1.00 0.00 C ATOM 236 O6 DG A 8 5.043 2.453 12.459 1.00 0.00 O ATOM 237 N1 DG A 8 2.791 2.373 12.242 1.00 0.00 N ATOM 238 C2 DG A 8 1.529 2.021 12.683 1.00 0.00 C ATOM 239 N2 DG A 8 0.500 2.378 11.912 1.00 0.00 N ATOM 240 N3 DG A 8 1.302 1.362 13.834 1.00 0.00 N ATOM 241 C4 DG A 8 2.444 1.084 14.531 1.00 0.00 C ATOM 0 H5' DG A 8 1.649 2.486 20.011 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.318 2.767 18.416 1.00 0.00 H new ATOM 0 H4' DG A 8 0.051 0.882 19.080 1.00 0.00 H new ATOM 0 H3' DG A 8 3.021 0.398 18.868 1.00 0.00 H new ATOM 0 H2' DG A 8 2.644 -1.572 17.459 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.959 -1.684 17.927 1.00 0.00 H new ATOM 0 HO3' DG A 8 2.485 -1.279 20.227 1.00 0.00 H new ATOM 0 H1' DG A 8 0.763 -0.619 15.819 1.00 0.00 H new ATOM 0 H8 DG A 8 4.274 -0.041 16.930 1.00 0.00 H new ATOM 0 H1 DG A 8 2.865 2.867 11.353 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.452 2.143 12.191 1.00 0.00 H new ATOM 0 H22 DG A 8 0.666 2.886 11.043 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 3.316 -2.484 0.313 1.00 0.00 NA HETATM 256 NA NA A 102 0.543 9.650 13.679 1.00 0.00 NA HETATM 257 NA NA A 103 -4.902 -7.853 13.852 1.00 0.00 NA HETATM 258 NA NA A 104 -0.697 6.845 20.894 1.00 0.00 NA HETATM 259 NA NA A 105 -3.129 6.288 4.078 1.00 0.00 NA HETATM 260 NA NA A 106 -2.635 -3.987 3.566 1.00 0.00 NA HETATM 261 NA NA A 107 -1.211 1.424 6.571 1.00 0.00 NA