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 28:sc=0.000348 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.122 (180deg=-0.219) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.0647 (180deg=-0.0647) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -4.949 -4.666 6.323 1.00 0.00 O ATOM 2 C5' DC A 1 -5.798 -3.730 6.959 1.00 0.00 C ATOM 3 C4' DC A 1 -5.030 -2.487 7.429 1.00 0.00 C ATOM 4 O4' DC A 1 -4.032 -2.874 8.357 1.00 0.00 O ATOM 5 C3' DC A 1 -4.343 -1.723 6.283 1.00 0.00 C ATOM 6 O3' DC A 1 -4.763 -0.366 6.315 1.00 0.00 O ATOM 7 C2' DC A 1 -2.857 -1.880 6.599 1.00 0.00 C ATOM 8 C1' DC A 1 -2.863 -2.128 8.105 1.00 0.00 C ATOM 9 N1 DC A 1 -1.634 -2.839 8.556 1.00 0.00 N ATOM 10 C2 DC A 1 -0.553 -2.074 9.007 1.00 0.00 C ATOM 11 O2 DC A 1 -0.626 -0.850 9.079 1.00 0.00 O ATOM 12 N3 DC A 1 0.599 -2.711 9.364 1.00 0.00 N ATOM 13 C4 DC A 1 0.708 -4.045 9.285 1.00 0.00 C ATOM 14 N4 DC A 1 1.860 -4.614 9.649 1.00 0.00 N ATOM 15 C5 DC A 1 -0.388 -4.853 8.823 1.00 0.00 C ATOM 16 C6 DC A 1 -1.530 -4.211 8.469 1.00 0.00 C ATOM 0 H5' DC A 1 -6.283 -4.202 7.814 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.588 -3.430 6.270 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.768 -1.822 7.878 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.580 -2.088 5.284 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.412 -2.712 6.053 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.290 -0.987 6.337 1.00 0.00 H new ATOM 0 HO5' DC A 1 -4.040 -4.576 6.677 1.00 0.00 H new ATOM 0 H1' DC A 1 -2.862 -1.193 8.665 1.00 0.00 H new ATOM 0 H41 DC A 1 1.967 -5.627 9.598 1.00 0.00 H new ATOM 0 H42 DC A 1 2.633 -4.035 9.978 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.306 -5.928 8.760 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.373 -4.785 8.113 1.00 0.00 H new ATOM 29 P DT A 2 -4.588 0.647 5.062 1.00 0.00 P ATOM 30 OP1 DT A 2 -5.674 1.647 5.156 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.444 -0.138 3.814 1.00 0.00 O ATOM 32 O5' DT A 2 -3.192 1.387 5.367 1.00 0.00 O ATOM 33 C5' DT A 2 -2.848 2.629 4.774 1.00 0.00 C ATOM 34 C4' DT A 2 -1.537 3.177 5.361 1.00 0.00 C ATOM 35 O4' DT A 2 -1.743 3.471 6.737 1.00 0.00 O ATOM 36 C3' DT A 2 -0.382 2.167 5.251 1.00 0.00 C ATOM 37 O3' DT A 2 0.865 2.705 4.779 1.00 0.00 O ATOM 38 C2' DT A 2 -0.358 1.543 6.648 1.00 0.00 C ATOM 39 C1' DT A 2 -0.901 2.656 7.530 1.00 0.00 C ATOM 40 N1 DT A 2 -1.573 2.224 8.784 1.00 0.00 N ATOM 41 C2 DT A 2 -0.928 2.487 9.996 1.00 0.00 C ATOM 42 O2 DT A 2 0.147 3.082 10.084 1.00 0.00 O ATOM 43 N3 DT A 2 -1.574 2.054 11.143 1.00 0.00 N ATOM 44 C4 DT A 2 -2.803 1.407 11.195 1.00 0.00 C ATOM 45 O4 DT A 2 -3.276 1.090 12.284 1.00 0.00 O ATOM 46 C5 DT A 2 -3.417 1.183 9.897 1.00 0.00 C ATOM 47 C7 DT A 2 -4.776 0.514 9.821 1.00 0.00 C ATOM 48 C6 DT A 2 -2.797 1.590 8.758 1.00 0.00 C ATOM 0 H5' DT A 2 -3.651 3.348 4.936 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.744 2.505 3.696 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.265 4.067 4.793 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.540 1.424 4.469 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.978 0.648 6.701 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.650 1.251 6.942 1.00 0.00 H new ATOM 0 H1' DT A 2 -0.041 3.213 7.901 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.104 2.226 12.032 1.00 0.00 H new ATOM 0 H71 DT A 2 -4.892 -0.170 10.662 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.558 1.273 9.860 1.00 0.00 H new ATOM 0 H73 DT A 2 -4.856 -0.042 8.887 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.276 1.412 7.807 1.00 0.00 H new ATOM 61 P DT A 3 1.629 4.077 5.259 1.00 0.00 P ATOM 62 OP1 DT A 3 0.937 4.724 6.393 1.00 0.00 O ATOM 63 OP2 DT A 3 1.925 4.874 4.050 1.00 0.00 O ATOM 64 O5' DT A 3 3.049 3.532 5.799 1.00 0.00 O ATOM 65 C5' DT A 3 3.112 2.460 6.711 1.00 0.00 C ATOM 66 C4' DT A 3 4.542 2.095 7.110 1.00 0.00 C ATOM 67 O4' DT A 3 4.474 0.846 7.788 1.00 0.00 O ATOM 68 C3' DT A 3 5.495 1.896 5.927 1.00 0.00 C ATOM 69 O3' DT A 3 6.838 2.233 6.260 1.00 0.00 O ATOM 70 C2' DT A 3 5.370 0.410 5.629 1.00 0.00 C ATOM 71 C1' DT A 3 5.058 -0.182 7.003 1.00 0.00 C ATOM 72 N1 DT A 3 4.204 -1.407 6.914 1.00 0.00 N ATOM 73 C2 DT A 3 4.808 -2.652 7.133 1.00 0.00 C ATOM 74 O2 DT A 3 5.977 -2.782 7.492 1.00 0.00 O ATOM 75 N3 DT A 3 4.021 -3.777 6.906 1.00 0.00 N ATOM 76 C4 DT A 3 2.712 -3.775 6.436 1.00 0.00 C ATOM 77 O4 DT A 3 2.127 -4.839 6.250 1.00 0.00 O ATOM 78 C5 DT A 3 2.162 -2.447 6.205 1.00 0.00 C ATOM 79 C7 DT A 3 0.748 -2.301 5.673 1.00 0.00 C ATOM 80 C6 DT A 3 2.903 -1.337 6.454 1.00 0.00 C ATOM 0 H5' DT A 3 2.630 1.587 6.270 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.546 2.719 7.606 1.00 0.00 H new ATOM 0 H4' DT A 3 4.930 2.920 7.707 1.00 0.00 H new ATOM 0 H3' DT A 3 5.245 2.535 5.080 1.00 0.00 H new ATOM 0 H2' DT A 3 4.576 0.206 4.910 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.290 0.002 5.211 1.00 0.00 H new ATOM 0 H1' DT A 3 5.975 -0.527 7.481 1.00 0.00 H new ATOM 0 H3 DT A 3 4.442 -4.685 7.102 1.00 0.00 H new ATOM 0 H71 DT A 3 0.315 -1.371 6.042 1.00 0.00 H new ATOM 0 H72 DT A 3 0.769 -2.284 4.583 1.00 0.00 H new ATOM 0 H73 DT A 3 0.143 -3.142 6.011 1.00 0.00 H new ATOM 0 H6 DT A 3 2.460 -0.366 6.287 1.00 0.00 H new ATOM 93 P DG A 4 7.440 3.725 6.032 1.00 0.00 P ATOM 94 OP1 DG A 4 6.736 4.348 4.889 1.00 0.00 O ATOM 95 OP2 DG A 4 8.915 3.598 5.994 1.00 0.00 O ATOM 96 O5' DG A 4 7.029 4.545 7.365 1.00 0.00 O ATOM 97 C5' DG A 4 7.829 4.564 8.540 1.00 0.00 C ATOM 98 C4' DG A 4 6.925 4.365 9.757 1.00 0.00 C ATOM 99 O4' DG A 4 6.392 3.061 9.690 1.00 0.00 O ATOM 100 C3' DG A 4 7.644 4.462 11.109 1.00 0.00 C ATOM 101 O3' DG A 4 6.883 5.294 11.965 1.00 0.00 O ATOM 102 C2' DG A 4 7.609 3.040 11.658 1.00 0.00 C ATOM 103 C1' DG A 4 6.339 2.526 10.988 1.00 0.00 C ATOM 104 N9 DG A 4 6.237 1.059 10.857 1.00 0.00 N ATOM 105 C8 DG A 4 7.213 0.096 10.825 1.00 0.00 C ATOM 106 N7 DG A 4 6.756 -1.120 10.687 1.00 0.00 N ATOM 107 C5 DG A 4 5.374 -0.955 10.628 1.00 0.00 C ATOM 108 C6 DG A 4 4.321 -1.913 10.442 1.00 0.00 C ATOM 109 O6 DG A 4 4.403 -3.132 10.316 1.00 0.00 O ATOM 110 N1 DG A 4 3.063 -1.316 10.394 1.00 0.00 N ATOM 111 C2 DG A 4 2.839 0.040 10.532 1.00 0.00 C ATOM 112 N2 DG A 4 1.584 0.464 10.423 1.00 0.00 N ATOM 113 N3 DG A 4 3.812 0.936 10.745 1.00 0.00 N ATOM 114 C4 DG A 4 5.054 0.376 10.771 1.00 0.00 C ATOM 0 H5' DG A 4 8.363 5.511 8.618 1.00 0.00 H new ATOM 0 H5'' DG A 4 8.582 3.777 8.497 1.00 0.00 H new ATOM 0 H4' DG A 4 6.182 5.162 9.716 1.00 0.00 H new ATOM 0 H3' DG A 4 8.654 4.863 11.027 1.00 0.00 H new ATOM 0 H2' DG A 4 8.490 2.464 11.377 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.545 3.015 12.746 1.00 0.00 H new ATOM 0 H1' DG A 4 5.485 2.820 11.599 1.00 0.00 H new ATOM 0 H8 DG A 4 8.266 0.323 10.907 1.00 0.00 H new ATOM 0 H1 DG A 4 2.254 -1.920 10.247 1.00 0.00 H new ATOM 0 H21 DG A 4 1.371 1.457 10.518 1.00 0.00 H new ATOM 0 H22 DG A 4 0.834 -0.204 10.245 1.00 0.00 H new ATOM 126 P DC A 5 7.567 6.398 12.910 1.00 0.00 P ATOM 127 OP1 DC A 5 7.862 7.589 12.083 1.00 0.00 O ATOM 128 OP2 DC A 5 8.669 5.767 13.673 1.00 0.00 O ATOM 129 O5' DC A 5 6.371 6.774 13.927 1.00 0.00 O ATOM 130 C5' DC A 5 5.978 5.930 14.998 1.00 0.00 C ATOM 131 C4' DC A 5 4.634 5.253 14.710 1.00 0.00 C ATOM 132 O4' DC A 5 4.811 4.023 14.032 1.00 0.00 O ATOM 133 C3' DC A 5 3.889 4.911 16.006 1.00 0.00 C ATOM 134 O3' DC A 5 2.943 5.926 16.302 1.00 0.00 O ATOM 135 C2' DC A 5 3.257 3.550 15.716 1.00 0.00 C ATOM 136 C1' DC A 5 3.649 3.256 14.270 1.00 0.00 C ATOM 137 N1 DC A 5 3.834 1.788 14.080 1.00 0.00 N ATOM 138 C2 DC A 5 2.687 1.015 13.885 1.00 0.00 C ATOM 139 O2 DC A 5 1.578 1.541 13.832 1.00 0.00 O ATOM 140 N3 DC A 5 2.808 -0.338 13.768 1.00 0.00 N ATOM 141 C4 DC A 5 4.004 -0.936 13.843 1.00 0.00 C ATOM 142 N4 DC A 5 4.053 -2.265 13.704 1.00 0.00 N ATOM 143 C5 DC A 5 5.203 -0.165 14.056 1.00 0.00 C ATOM 144 C6 DC A 5 5.070 1.184 14.167 1.00 0.00 C ATOM 0 H5' DC A 5 5.904 6.514 15.915 1.00 0.00 H new ATOM 0 H5'' DC A 5 6.742 5.170 15.164 1.00 0.00 H new ATOM 0 H4' DC A 5 4.070 5.963 14.105 1.00 0.00 H new ATOM 0 H3' DC A 5 4.525 4.860 16.890 1.00 0.00 H new ATOM 0 H2' DC A 5 3.633 2.784 16.394 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.174 3.580 15.837 1.00 0.00 H new ATOM 0 H1' DC A 5 2.882 3.532 13.546 1.00 0.00 H new ATOM 0 H41 DC A 5 4.949 -2.751 13.756 1.00 0.00 H new ATOM 0 H42 DC A 5 3.195 -2.793 13.546 1.00 0.00 H new ATOM 0 H5 DC A 5 6.170 -0.640 14.125 1.00 0.00 H new ATOM 0 H6 DC A 5 5.948 1.792 14.326 1.00 0.00 H new ATOM 156 P DG A 6 2.006 5.901 17.625 1.00 0.00 P ATOM 157 OP1 DG A 6 1.604 7.289 17.936 1.00 0.00 O ATOM 158 OP2 DG A 6 2.660 5.074 18.665 1.00 0.00 O ATOM 159 O5' DG A 6 0.700 5.096 17.141 1.00 0.00 O ATOM 160 C5' DG A 6 -0.123 5.570 16.096 1.00 0.00 C ATOM 161 C4' DG A 6 -1.423 4.764 16.091 1.00 0.00 C ATOM 162 O4' DG A 6 -2.256 5.199 15.026 1.00 0.00 O ATOM 163 C3' DG A 6 -1.231 3.266 15.867 1.00 0.00 C ATOM 164 O3' DG A 6 -2.399 2.618 16.345 1.00 0.00 O ATOM 165 C2' DG A 6 -1.158 3.191 14.353 1.00 0.00 C ATOM 166 C1' DG A 6 -2.189 4.251 13.969 1.00 0.00 C ATOM 167 N9 DG A 6 -1.897 4.936 12.687 1.00 0.00 N ATOM 168 C8 DG A 6 -0.741 5.564 12.290 1.00 0.00 C ATOM 169 N7 DG A 6 -0.758 5.981 11.055 1.00 0.00 N ATOM 170 C5 DG A 6 -2.008 5.589 10.584 1.00 0.00 C ATOM 171 C6 DG A 6 -2.574 5.705 9.273 1.00 0.00 C ATOM 172 O6 DG A 6 -2.069 6.208 8.273 1.00 0.00 O ATOM 173 N1 DG A 6 -3.844 5.136 9.183 1.00 0.00 N ATOM 174 C2 DG A 6 -4.496 4.531 10.243 1.00 0.00 C ATOM 175 N2 DG A 6 -5.699 4.010 9.993 1.00 0.00 N ATOM 176 N3 DG A 6 -3.970 4.424 11.476 1.00 0.00 N ATOM 177 C4 DG A 6 -2.721 4.966 11.583 1.00 0.00 C ATOM 0 H5' DG A 6 0.387 5.470 15.138 1.00 0.00 H new ATOM 0 H5'' DG A 6 -0.336 6.630 16.234 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.853 4.928 17.079 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.370 2.812 16.358 1.00 0.00 H new ATOM 0 H2' DG A 6 -0.163 3.425 13.974 1.00 0.00 H new ATOM 0 H2'' DG A 6 -1.419 2.203 13.974 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.144 3.747 13.818 1.00 0.00 H new ATOM 0 H8 DG A 6 0.108 5.700 12.944 1.00 0.00 H new ATOM 0 H1 DG A 6 -4.321 5.168 8.282 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.222 3.553 10.740 1.00 0.00 H new ATOM 0 H22 DG A 6 -6.095 4.069 9.055 1.00 0.00 H new ATOM 189 P DT A 7 -2.373 1.506 17.508 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.711 1.462 18.138 1.00 0.00 O ATOM 191 OP2 DT A 7 -1.169 1.710 18.348 1.00 0.00 O ATOM 192 O5' DT A 7 -2.174 0.159 16.657 1.00 0.00 O ATOM 193 C5' DT A 7 -3.122 -0.293 15.709 1.00 0.00 C ATOM 194 C4' DT A 7 -3.127 -1.823 15.648 1.00 0.00 C ATOM 195 O4' DT A 7 -1.868 -2.289 15.191 1.00 0.00 O ATOM 196 C3' DT A 7 -3.391 -2.456 17.022 1.00 0.00 C ATOM 197 O3' DT A 7 -4.313 -3.534 16.961 1.00 0.00 O ATOM 198 C2' DT A 7 -2.018 -2.937 17.472 1.00 0.00 C ATOM 199 C1' DT A 7 -1.274 -3.142 16.150 1.00 0.00 C ATOM 200 N1 DT A 7 0.186 -2.862 16.278 1.00 0.00 N ATOM 201 C2 DT A 7 1.070 -3.946 16.348 1.00 0.00 C ATOM 202 O2 DT A 7 0.728 -5.111 16.154 1.00 0.00 O ATOM 203 N3 DT A 7 2.391 -3.649 16.672 1.00 0.00 N ATOM 204 C4 DT A 7 2.896 -2.385 16.959 1.00 0.00 C ATOM 205 O4 DT A 7 4.080 -2.253 17.260 1.00 0.00 O ATOM 206 C5 DT A 7 1.917 -1.311 16.859 1.00 0.00 C ATOM 207 C7 DT A 7 2.326 0.122 17.156 1.00 0.00 C ATOM 208 C6 DT A 7 0.634 -1.577 16.504 1.00 0.00 C ATOM 0 H5' DT A 7 -2.887 0.116 14.726 1.00 0.00 H new ATOM 0 H5'' DT A 7 -4.114 0.070 15.976 1.00 0.00 H new ATOM 0 H4' DT A 7 -3.928 -2.111 14.966 1.00 0.00 H new ATOM 0 H3' DT A 7 -3.846 -1.745 17.711 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.521 -2.202 18.105 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.082 -3.861 18.046 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.356 -4.185 15.844 1.00 0.00 H new ATOM 0 H3 DT A 7 3.048 -4.429 16.702 1.00 0.00 H new ATOM 0 H71 DT A 7 1.718 0.804 16.562 1.00 0.00 H new ATOM 0 H72 DT A 7 2.176 0.331 18.215 1.00 0.00 H new ATOM 0 H73 DT A 7 3.378 0.260 16.904 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.059 -0.756 16.395 1.00 0.00 H new ATOM 221 P DG A 8 -5.916 -3.294 16.852 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.241 -1.988 17.471 1.00 0.00 O ATOM 223 OP2 DG A 8 -6.595 -4.516 17.334 1.00 0.00 O ATOM 224 O5' DG A 8 -6.177 -3.162 15.264 1.00 0.00 O ATOM 225 C5' DG A 8 -6.215 -4.303 14.426 1.00 0.00 C ATOM 226 C4' DG A 8 -5.933 -3.908 12.974 1.00 0.00 C ATOM 227 O4' DG A 8 -4.647 -3.338 12.850 1.00 0.00 O ATOM 228 C3' DG A 8 -5.956 -5.108 12.032 1.00 0.00 C ATOM 229 O3' DG A 8 -7.260 -5.376 11.556 1.00 0.00 O ATOM 230 C2' DG A 8 -5.048 -4.642 10.899 1.00 0.00 C ATOM 231 C1' DG A 8 -4.103 -3.647 11.581 1.00 0.00 C ATOM 232 N9 DG A 8 -2.724 -4.139 11.821 1.00 0.00 N ATOM 233 C8 DG A 8 -2.234 -5.418 11.916 1.00 0.00 C ATOM 234 N7 DG A 8 -0.970 -5.487 12.240 1.00 0.00 N ATOM 235 C5 DG A 8 -0.584 -4.156 12.388 1.00 0.00 C ATOM 236 C6 DG A 8 0.674 -3.573 12.768 1.00 0.00 C ATOM 237 O6 DG A 8 1.744 -4.118 13.035 1.00 0.00 O ATOM 238 N1 DG A 8 0.610 -2.185 12.841 1.00 0.00 N ATOM 239 C2 DG A 8 -0.527 -1.448 12.587 1.00 0.00 C ATOM 240 N2 DG A 8 -0.472 -0.151 12.848 1.00 0.00 N ATOM 241 N3 DG A 8 -1.690 -1.975 12.187 1.00 0.00 N ATOM 242 C4 DG A 8 -1.657 -3.333 12.120 1.00 0.00 C ATOM 0 H5' DG A 8 -7.192 -4.781 14.496 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.478 -5.033 14.761 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.718 -3.201 12.706 1.00 0.00 H new ATOM 0 H3' DG A 8 -5.636 -6.035 12.507 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.502 -5.474 10.455 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.617 -4.170 10.098 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.236 -6.149 10.955 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.023 -2.800 10.899 1.00 0.00 H new ATOM 0 H8 DG A 8 -2.842 -6.293 11.738 1.00 0.00 H new ATOM 0 H1 DG A 8 1.458 -1.681 13.099 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.287 0.439 12.677 1.00 0.00 H new ATOM 0 H22 DG A 8 0.385 0.258 13.220 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 9.291 1.194 6.598 1.00 0.00 NA HETATM 257 NA NA A 102 0.907 3.092 18.800 1.00 0.00 NA HETATM 258 NA NA A 103 -6.738 0.730 2.971 1.00 0.00 NA HETATM 259 NA NA A 104 -5.940 0.425 17.863 1.00 0.00 NA HETATM 260 NA NA A 105 10.097 7.955 13.305 1.00 0.00 NA HETATM 261 NA NA A 106 4.466 5.252 4.323 1.00 0.00 NA HETATM 262 NA NA A 107 0.438 5.517 8.683 1.00 0.00 NA