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= -0.022 (180deg=-0.022) 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 -1.221 -5.467 17.597 1.00 0.00 O ATOM 2 C5' DC A 1 -0.277 -4.575 17.041 1.00 0.00 C ATOM 3 C4' DC A 1 -0.817 -3.952 15.747 1.00 0.00 C ATOM 4 O4' DC A 1 0.130 -3.013 15.260 1.00 0.00 O ATOM 5 C3' DC A 1 -1.066 -4.988 14.636 1.00 0.00 C ATOM 6 O3' DC A 1 -2.330 -4.730 14.041 1.00 0.00 O ATOM 7 C2' DC A 1 0.097 -4.740 13.678 1.00 0.00 C ATOM 8 C1' DC A 1 0.324 -3.246 13.882 1.00 0.00 C ATOM 9 N1 DC A 1 1.666 -2.771 13.437 1.00 0.00 N ATOM 10 C2 DC A 1 1.745 -1.858 12.377 1.00 0.00 C ATOM 11 O2 DC A 1 0.735 -1.376 11.870 1.00 0.00 O ATOM 12 N3 DC A 1 2.975 -1.507 11.901 1.00 0.00 N ATOM 13 C4 DC A 1 4.096 -2.011 12.436 1.00 0.00 C ATOM 14 N4 DC A 1 5.272 -1.630 11.932 1.00 0.00 N ATOM 15 C5 DC A 1 4.043 -2.942 13.530 1.00 0.00 C ATOM 16 C6 DC A 1 2.816 -3.295 13.988 1.00 0.00 C ATOM 0 H5' DC A 1 0.653 -5.104 16.835 1.00 0.00 H new ATOM 0 H5'' DC A 1 -0.045 -3.789 17.760 1.00 0.00 H new ATOM 0 H4' DC A 1 -1.771 -3.487 15.994 1.00 0.00 H new ATOM 0 H3' DC A 1 -1.100 -6.026 14.967 1.00 0.00 H new ATOM 0 H2' DC A 1 0.977 -5.330 13.935 1.00 0.00 H new ATOM 0 H2'' DC A 1 -0.159 -4.982 12.646 1.00 0.00 H new ATOM 0 HO5' DC A 1 -0.858 -5.856 18.420 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.373 -2.682 13.263 1.00 0.00 H new ATOM 0 H41 DC A 1 6.138 -2.000 12.323 1.00 0.00 H new ATOM 0 H42 DC A 1 5.304 -0.969 11.156 1.00 0.00 H new ATOM 0 H5 DC A 1 4.944 -3.344 13.970 1.00 0.00 H new ATOM 0 H6 DC A 1 2.738 -4.001 14.801 1.00 0.00 H new ATOM 29 P DT A 2 -3.016 -5.719 12.959 1.00 0.00 P ATOM 30 OP1 DT A 2 -4.477 -5.696 13.193 1.00 0.00 O ATOM 31 OP2 DT A 2 -2.311 -7.022 12.964 1.00 0.00 O ATOM 32 O5' DT A 2 -2.722 -4.989 11.554 1.00 0.00 O ATOM 33 C5' DT A 2 -3.419 -5.345 10.373 1.00 0.00 C ATOM 34 C4' DT A 2 -3.065 -4.407 9.211 1.00 0.00 C ATOM 35 O4' DT A 2 -3.471 -3.085 9.542 1.00 0.00 O ATOM 36 C3' DT A 2 -1.555 -4.379 8.909 1.00 0.00 C ATOM 37 O3' DT A 2 -1.218 -4.482 7.520 1.00 0.00 O ATOM 38 C2' DT A 2 -1.108 -3.092 9.590 1.00 0.00 C ATOM 39 C1' DT A 2 -2.353 -2.217 9.480 1.00 0.00 C ATOM 40 N1 DT A 2 -2.388 -1.178 10.541 1.00 0.00 N ATOM 41 C2 DT A 2 -2.057 0.135 10.190 1.00 0.00 C ATOM 42 O2 DT A 2 -1.893 0.512 9.030 1.00 0.00 O ATOM 43 N3 DT A 2 -1.905 1.031 11.240 1.00 0.00 N ATOM 44 C4 DT A 2 -2.063 0.742 12.590 1.00 0.00 C ATOM 45 O4 DT A 2 -1.890 1.624 13.427 1.00 0.00 O ATOM 46 C5 DT A 2 -2.443 -0.632 12.870 1.00 0.00 C ATOM 47 C7 DT A 2 -2.682 -1.062 14.304 1.00 0.00 C ATOM 48 C6 DT A 2 -2.587 -1.528 11.860 1.00 0.00 C ATOM 0 H5' DT A 2 -4.493 -5.309 10.557 1.00 0.00 H new ATOM 0 H5'' DT A 2 -3.176 -6.372 10.101 1.00 0.00 H new ATOM 0 H4' DT A 2 -3.582 -4.782 8.327 1.00 0.00 H new ATOM 0 H3' DT A 2 -1.030 -5.256 9.288 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.819 -3.260 10.628 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.250 -2.644 9.089 1.00 0.00 H new ATOM 0 H1' DT A 2 -2.357 -1.666 8.540 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.654 1.990 10.998 1.00 0.00 H new ATOM 0 H71 DT A 2 -3.423 -1.861 14.326 1.00 0.00 H new ATOM 0 H72 DT A 2 -1.748 -1.421 14.737 1.00 0.00 H new ATOM 0 H73 DT A 2 -3.047 -0.213 14.882 1.00 0.00 H new ATOM 0 H6 DT A 2 -2.865 -2.544 12.096 1.00 0.00 H new ATOM 61 P DT A 3 -1.731 -3.548 6.275 1.00 0.00 P ATOM 62 OP1 DT A 3 -3.119 -3.100 6.515 1.00 0.00 O ATOM 63 OP2 DT A 3 -1.458 -4.317 5.044 1.00 0.00 O ATOM 64 O5' DT A 3 -0.811 -2.207 6.231 1.00 0.00 O ATOM 65 C5' DT A 3 0.578 -2.203 6.520 1.00 0.00 C ATOM 66 C4' DT A 3 1.496 -1.957 5.316 1.00 0.00 C ATOM 67 O4' DT A 3 2.827 -1.838 5.793 1.00 0.00 O ATOM 68 C3' DT A 3 1.548 -3.081 4.279 1.00 0.00 C ATOM 69 O3' DT A 3 1.893 -2.602 2.985 1.00 0.00 O ATOM 70 C2' DT A 3 2.614 -4.018 4.833 1.00 0.00 C ATOM 71 C1' DT A 3 3.517 -3.071 5.641 1.00 0.00 C ATOM 72 N1 DT A 3 3.999 -3.568 6.973 1.00 0.00 N ATOM 73 C2 DT A 3 5.320 -3.264 7.338 1.00 0.00 C ATOM 74 O2 DT A 3 6.111 -2.686 6.595 1.00 0.00 O ATOM 75 N3 DT A 3 5.723 -3.653 8.610 1.00 0.00 N ATOM 76 C4 DT A 3 4.935 -4.299 9.556 1.00 0.00 C ATOM 77 O4 DT A 3 5.404 -4.581 10.655 1.00 0.00 O ATOM 78 C5 DT A 3 3.582 -4.590 9.105 1.00 0.00 C ATOM 79 C7 DT A 3 2.608 -5.281 10.044 1.00 0.00 C ATOM 80 C6 DT A 3 3.177 -4.242 7.855 1.00 0.00 C ATOM 0 H5' DT A 3 0.842 -3.161 6.968 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.775 -1.436 7.269 1.00 0.00 H new ATOM 0 H4' DT A 3 1.088 -1.070 4.831 1.00 0.00 H new ATOM 0 H3' DT A 3 0.582 -3.566 4.139 1.00 0.00 H new ATOM 0 H2' DT A 3 2.181 -4.797 5.461 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.164 -4.520 4.037 1.00 0.00 H new ATOM 0 H1' DT A 3 4.438 -2.974 5.066 1.00 0.00 H new ATOM 0 H3 DT A 3 6.686 -3.445 8.874 1.00 0.00 H new ATOM 0 H71 DT A 3 1.591 -4.963 9.812 1.00 0.00 H new ATOM 0 H72 DT A 3 2.688 -6.361 9.920 1.00 0.00 H new ATOM 0 H73 DT A 3 2.845 -5.015 11.074 1.00 0.00 H new ATOM 0 H6 DT A 3 2.177 -4.502 7.540 1.00 0.00 H new ATOM 93 P DG A 4 0.778 -2.010 1.965 1.00 0.00 P ATOM 94 OP1 DG A 4 -0.463 -2.802 2.112 1.00 0.00 O ATOM 95 OP2 DG A 4 1.415 -1.906 0.633 1.00 0.00 O ATOM 96 O5' DG A 4 0.479 -0.519 2.507 1.00 0.00 O ATOM 97 C5' DG A 4 1.298 0.580 2.159 1.00 0.00 C ATOM 98 C4' DG A 4 0.999 1.758 3.091 1.00 0.00 C ATOM 99 O4' DG A 4 1.458 1.435 4.396 1.00 0.00 O ATOM 100 C3' DG A 4 1.736 3.028 2.651 1.00 0.00 C ATOM 101 O3' DG A 4 0.928 4.157 2.943 1.00 0.00 O ATOM 102 C2' DG A 4 2.992 2.972 3.512 1.00 0.00 C ATOM 103 C1' DG A 4 2.438 2.372 4.804 1.00 0.00 C ATOM 104 N9 DG A 4 3.471 1.736 5.661 1.00 0.00 N ATOM 105 C8 DG A 4 4.819 1.567 5.442 1.00 0.00 C ATOM 106 N7 DG A 4 5.451 0.960 6.406 1.00 0.00 N ATOM 107 C5 DG A 4 4.455 0.682 7.336 1.00 0.00 C ATOM 108 C6 DG A 4 4.535 0.024 8.608 1.00 0.00 C ATOM 109 O6 DG A 4 5.521 -0.441 9.174 1.00 0.00 O ATOM 110 N1 DG A 4 3.297 -0.066 9.236 1.00 0.00 N ATOM 111 C2 DG A 4 2.122 0.430 8.710 1.00 0.00 C ATOM 112 N2 DG A 4 1.029 0.260 9.445 1.00 0.00 N ATOM 113 N3 DG A 4 2.038 1.052 7.523 1.00 0.00 N ATOM 114 C4 DG A 4 3.239 1.149 6.884 1.00 0.00 C ATOM 0 H5' DG A 4 1.117 0.868 1.123 1.00 0.00 H new ATOM 0 H5'' DG A 4 2.349 0.301 2.234 1.00 0.00 H new ATOM 0 H4' DG A 4 -0.076 1.939 3.066 1.00 0.00 H new ATOM 0 H3' DG A 4 1.963 3.098 1.587 1.00 0.00 H new ATOM 0 H2' DG A 4 3.768 2.348 3.068 1.00 0.00 H new ATOM 0 H2'' DG A 4 3.427 3.959 3.670 1.00 0.00 H new ATOM 0 H1' DG A 4 2.024 3.160 5.433 1.00 0.00 H new ATOM 0 H8 DG A 4 5.313 1.910 4.545 1.00 0.00 H new ATOM 0 H1 DG A 4 3.255 -0.529 10.144 1.00 0.00 H new ATOM 0 H21 DG A 4 0.130 0.605 9.109 1.00 0.00 H new ATOM 0 H22 DG A 4 1.089 -0.216 10.345 1.00 0.00 H new ATOM 126 P DC A 5 1.205 5.609 2.287 1.00 0.00 P ATOM 127 OP1 DC A 5 1.214 5.457 0.816 1.00 0.00 O ATOM 128 OP2 DC A 5 2.380 6.224 2.947 1.00 0.00 O ATOM 129 O5' DC A 5 -0.121 6.449 2.685 1.00 0.00 O ATOM 130 C5' DC A 5 -0.275 7.143 3.915 1.00 0.00 C ATOM 131 C4' DC A 5 -0.548 6.195 5.090 1.00 0.00 C ATOM 132 O4' DC A 5 0.634 5.524 5.489 1.00 0.00 O ATOM 133 C3' DC A 5 -1.045 6.943 6.339 1.00 0.00 C ATOM 134 O3' DC A 5 -2.462 6.813 6.493 1.00 0.00 O ATOM 135 C2' DC A 5 -0.159 6.395 7.463 1.00 0.00 C ATOM 136 C1' DC A 5 0.469 5.154 6.838 1.00 0.00 C ATOM 137 N1 DC A 5 1.729 4.776 7.532 1.00 0.00 N ATOM 138 C2 DC A 5 1.623 4.053 8.726 1.00 0.00 C ATOM 139 O2 DC A 5 0.522 3.756 9.191 1.00 0.00 O ATOM 140 N3 DC A 5 2.765 3.659 9.360 1.00 0.00 N ATOM 141 C4 DC A 5 3.972 3.937 8.848 1.00 0.00 C ATOM 142 N4 DC A 5 5.056 3.489 9.485 1.00 0.00 N ATOM 143 C5 DC A 5 4.104 4.686 7.628 1.00 0.00 C ATOM 144 C6 DC A 5 2.966 5.080 7.007 1.00 0.00 C ATOM 0 H5' DC A 5 -1.096 7.855 3.827 1.00 0.00 H new ATOM 0 H5'' DC A 5 0.627 7.720 4.119 1.00 0.00 H new ATOM 0 H4' DC A 5 -1.307 5.501 4.729 1.00 0.00 H new ATOM 0 H3' DC A 5 -0.942 8.028 6.305 1.00 0.00 H new ATOM 0 H2' DC A 5 0.597 7.118 7.769 1.00 0.00 H new ATOM 0 H2'' DC A 5 -0.741 6.148 8.351 1.00 0.00 H new ATOM 0 H1' DC A 5 -0.137 4.252 6.927 1.00 0.00 H new ATOM 0 H41 DC A 5 5.985 3.689 9.114 1.00 0.00 H new ATOM 0 H42 DC A 5 4.956 2.947 10.343 1.00 0.00 H new ATOM 0 H5 DC A 5 5.075 4.926 7.221 1.00 0.00 H new ATOM 0 H6 DC A 5 3.030 5.641 6.086 1.00 0.00 H new ATOM 156 P DA A 6 -3.271 5.504 7.034 1.00 0.00 P ATOM 157 OP1 DA A 6 -2.574 4.271 6.600 1.00 0.00 O ATOM 158 OP2 DA A 6 -4.695 5.682 6.682 1.00 0.00 O ATOM 159 O5' DA A 6 -3.151 5.587 8.639 1.00 0.00 O ATOM 160 C5' DA A 6 -3.724 6.642 9.391 1.00 0.00 C ATOM 161 C4' DA A 6 -3.778 6.303 10.889 1.00 0.00 C ATOM 162 O4' DA A 6 -4.709 5.254 11.115 1.00 0.00 O ATOM 163 C3' DA A 6 -2.429 5.841 11.451 1.00 0.00 C ATOM 164 O3' DA A 6 -2.311 6.246 12.807 1.00 0.00 O ATOM 165 C2' DA A 6 -2.529 4.324 11.366 1.00 0.00 C ATOM 166 C1' DA A 6 -4.030 4.095 11.570 1.00 0.00 C ATOM 167 N9 DA A 6 -4.551 2.895 10.870 1.00 0.00 N ATOM 168 C8 DA A 6 -4.509 2.591 9.531 1.00 0.00 C ATOM 169 N7 DA A 6 -4.975 1.412 9.229 1.00 0.00 N ATOM 170 C5 DA A 6 -5.343 0.879 10.460 1.00 0.00 C ATOM 171 C6 DA A 6 -5.872 -0.374 10.855 1.00 0.00 C ATOM 172 N6 DA A 6 -6.140 -1.365 9.997 1.00 0.00 N ATOM 173 N1 DA A 6 -6.109 -0.595 12.163 1.00 0.00 N ATOM 174 C2 DA A 6 -5.835 0.375 13.035 1.00 0.00 C ATOM 175 N3 DA A 6 -5.332 1.586 12.799 1.00 0.00 N ATOM 176 C4 DA A 6 -5.103 1.783 11.468 1.00 0.00 C ATOM 0 H5' DA A 6 -4.731 6.844 9.026 1.00 0.00 H new ATOM 0 H5'' DA A 6 -3.143 7.552 9.244 1.00 0.00 H new ATOM 0 H4' DA A 6 -4.070 7.224 11.394 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.569 6.249 10.920 1.00 0.00 H new ATOM 0 H2' DA A 6 -2.185 3.945 10.404 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.933 3.832 12.134 1.00 0.00 H new ATOM 0 H1' DA A 6 -4.202 3.914 12.631 1.00 0.00 H new ATOM 0 H8 DA A 6 -4.121 3.273 8.789 1.00 0.00 H new ATOM 0 H61 DA A 6 -6.521 -2.247 10.340 1.00 0.00 H new ATOM 0 H62 DA A 6 -5.964 -1.238 9.000 1.00 0.00 H new ATOM 0 H2 DA A 6 -6.049 0.150 14.069 1.00 0.00 H new ATOM 188 P DT A 7 -0.932 6.831 13.411 1.00 0.00 P ATOM 189 OP1 DT A 7 -1.197 7.279 14.797 1.00 0.00 O ATOM 190 OP2 DT A 7 -0.361 7.786 12.436 1.00 0.00 O ATOM 191 O5' DT A 7 0.040 5.542 13.462 1.00 0.00 O ATOM 192 C5' DT A 7 -0.002 4.570 14.496 1.00 0.00 C ATOM 193 C4' DT A 7 1.355 4.477 15.211 1.00 0.00 C ATOM 194 O4' DT A 7 2.386 4.297 14.252 1.00 0.00 O ATOM 195 C3' DT A 7 1.692 5.746 16.008 1.00 0.00 C ATOM 196 O3' DT A 7 2.236 5.450 17.285 1.00 0.00 O ATOM 197 C2' DT A 7 2.723 6.464 15.150 1.00 0.00 C ATOM 198 C1' DT A 7 3.366 5.304 14.388 1.00 0.00 C ATOM 199 N1 DT A 7 3.912 5.691 13.053 1.00 0.00 N ATOM 200 C2 DT A 7 5.271 5.463 12.796 1.00 0.00 C ATOM 201 O2 DT A 7 6.019 4.876 13.574 1.00 0.00 O ATOM 202 N3 DT A 7 5.764 5.957 11.592 1.00 0.00 N ATOM 203 C4 DT A 7 5.034 6.646 10.630 1.00 0.00 C ATOM 204 O4 DT A 7 5.589 7.037 9.607 1.00 0.00 O ATOM 205 C5 DT A 7 3.626 6.824 10.962 1.00 0.00 C ATOM 206 C7 DT A 7 2.711 7.557 9.997 1.00 0.00 C ATOM 207 C6 DT A 7 3.124 6.346 12.130 1.00 0.00 C ATOM 0 H5' DT A 7 -0.265 3.598 14.078 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.780 4.829 15.214 1.00 0.00 H new ATOM 0 H4' DT A 7 1.286 3.635 15.900 1.00 0.00 H new ATOM 0 H3' DT A 7 0.800 6.342 16.202 1.00 0.00 H new ATOM 0 H2' DT A 7 2.262 7.188 14.478 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.449 7.008 15.754 1.00 0.00 H new ATOM 0 H1' DT A 7 4.229 4.954 14.955 1.00 0.00 H new ATOM 0 H3 DT A 7 6.753 5.799 11.397 1.00 0.00 H new ATOM 0 H71 DT A 7 1.697 7.168 10.090 1.00 0.00 H new ATOM 0 H72 DT A 7 2.714 8.622 10.231 1.00 0.00 H new ATOM 0 H73 DT A 7 3.064 7.408 8.977 1.00 0.00 H new ATOM 0 H6 DT A 7 2.074 6.483 12.343 1.00 0.00 H new ATOM 220 P DG A 8 1.297 5.108 18.562 1.00 0.00 P ATOM 221 OP1 DG A 8 0.066 5.926 18.469 1.00 0.00 O ATOM 222 OP2 DG A 8 2.146 5.211 19.770 1.00 0.00 O ATOM 223 O5' DG A 8 0.884 3.561 18.357 1.00 0.00 O ATOM 224 C5' DG A 8 1.799 2.508 18.598 1.00 0.00 C ATOM 225 C4' DG A 8 1.148 1.169 18.237 1.00 0.00 C ATOM 226 O4' DG A 8 0.858 1.091 16.849 1.00 0.00 O ATOM 227 C3' DG A 8 2.046 -0.023 18.587 1.00 0.00 C ATOM 228 O3' DG A 8 1.726 -0.574 19.849 1.00 0.00 O ATOM 229 C2' DG A 8 1.717 -1.007 17.471 1.00 0.00 C ATOM 230 C1' DG A 8 1.436 -0.078 16.292 1.00 0.00 C ATOM 231 N9 DG A 8 2.641 0.296 15.502 1.00 0.00 N ATOM 232 C8 DG A 8 3.980 0.119 15.761 1.00 0.00 C ATOM 233 N7 DG A 8 4.771 0.569 14.825 1.00 0.00 N ATOM 234 C5 DG A 8 3.904 1.094 13.871 1.00 0.00 C ATOM 235 C6 DG A 8 4.169 1.724 12.608 1.00 0.00 C ATOM 236 O6 DG A 8 5.249 1.942 12.064 1.00 0.00 O ATOM 237 N1 DG A 8 3.004 2.121 11.959 1.00 0.00 N ATOM 238 C2 DG A 8 1.734 1.947 12.470 1.00 0.00 C ATOM 239 N2 DG A 8 0.731 2.493 11.790 1.00 0.00 N ATOM 240 N3 DG A 8 1.475 1.333 13.633 1.00 0.00 N ATOM 241 C4 DG A 8 2.600 0.932 14.287 1.00 0.00 C ATOM 0 H5' DG A 8 2.100 2.507 19.646 1.00 0.00 H new ATOM 0 H5'' DG A 8 2.703 2.656 18.007 1.00 0.00 H new ATOM 0 H4' DG A 8 0.229 1.122 18.822 1.00 0.00 H new ATOM 0 H3' DG A 8 3.101 0.242 18.657 1.00 0.00 H new ATOM 0 H2' DG A 8 2.547 -1.683 17.267 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.854 -1.626 17.716 1.00 0.00 H new ATOM 0 HO3' DG A 8 2.319 -1.332 20.035 1.00 0.00 H new ATOM 0 H1' DG A 8 0.785 -0.597 15.588 1.00 0.00 H new ATOM 0 H8 DG A 8 4.346 -0.352 16.661 1.00 0.00 H new ATOM 0 H1 DG A 8 3.094 2.569 11.047 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.227 2.393 12.126 1.00 0.00 H new ATOM 0 H22 DG A 8 0.919 3.012 10.932 1.00 0.00 H new TER 254 DG A 8 HETATM 255 NA NA A 101 3.214 -3.621 0.784 1.00 0.00 NA HETATM 256 NA NA A 102 -1.883 6.587 17.071 1.00 0.00 NA HETATM 257 NA NA A 103 -4.542 -8.267 13.411 1.00 0.00 NA HETATM 258 NA NA A 104 4.012 6.662 18.934 1.00 0.00 NA HETATM 259 NA NA A 105 3.226 7.044 0.602 1.00 0.00 NA HETATM 260 NA NA A 106 -2.625 -2.907 3.343 1.00 0.00 NA HETATM 261 NA NA A 107 -1.631 1.964 6.891 1.00 0.00 NA