USER MOD reduce.3.24.130724 H: found=0, std=0, add=96, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 96 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 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= -1.2 (180deg=-2.9!) USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.595 (180deg=-0.595) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl -30:sc= 0 (180deg=-0.509) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.779 (180deg=-0.779) USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -7.757 -2.732 10.412 1.00 0.00 O ATOM 2 C5' DT A 1 -6.531 -2.322 10.990 1.00 0.00 C ATOM 3 C4' DT A 1 -5.463 -2.097 9.912 1.00 0.00 C ATOM 4 O4' DT A 1 -4.372 -1.351 10.445 1.00 0.00 O ATOM 5 C3' DT A 1 -4.901 -3.399 9.333 1.00 0.00 C ATOM 6 O3' DT A 1 -4.631 -3.244 7.946 1.00 0.00 O ATOM 7 C2' DT A 1 -3.652 -3.587 10.186 1.00 0.00 C ATOM 8 C1' DT A 1 -3.213 -2.173 10.536 1.00 0.00 C ATOM 9 N1 DT A 1 -2.604 -2.100 11.885 1.00 0.00 N ATOM 10 C2 DT A 1 -1.218 -2.003 12.017 1.00 0.00 C ATOM 11 O2 DT A 1 -0.446 -1.976 11.068 1.00 0.00 O ATOM 12 N3 DT A 1 -0.733 -1.918 13.303 1.00 0.00 N ATOM 13 C4 DT A 1 -1.484 -1.886 14.457 1.00 0.00 C ATOM 14 O4 DT A 1 -0.901 -1.759 15.530 1.00 0.00 O ATOM 15 C5 DT A 1 -2.926 -1.989 14.239 1.00 0.00 C ATOM 16 C7 DT A 1 -3.894 -1.931 15.403 1.00 0.00 C ATOM 17 C6 DT A 1 -3.422 -2.104 12.980 1.00 0.00 C ATOM 0 H5' DT A 1 -6.187 -3.078 11.696 1.00 0.00 H new ATOM 0 H5'' DT A 1 -6.681 -1.403 11.556 1.00 0.00 H new ATOM 0 H4' DT A 1 -5.964 -1.554 9.110 1.00 0.00 H new ATOM 0 H3' DT A 1 -5.565 -4.263 9.372 1.00 0.00 H new ATOM 0 H2' DT A 1 -3.867 -4.169 11.082 1.00 0.00 H new ATOM 0 H2'' DT A 1 -2.874 -4.120 9.639 1.00 0.00 H new ATOM 0 HO5' DT A 1 -8.422 -2.871 11.119 1.00 0.00 H new ATOM 0 H1' DT A 1 -2.440 -1.834 9.847 1.00 0.00 H new ATOM 0 H3 DT A 1 0.280 -1.875 13.411 1.00 0.00 H new ATOM 0 H71 DT A 1 -4.838 -1.500 15.070 1.00 0.00 H new ATOM 0 H72 DT A 1 -4.068 -2.938 15.782 1.00 0.00 H new ATOM 0 H73 DT A 1 -3.473 -1.313 16.196 1.00 0.00 H new ATOM 0 H6 DT A 1 -4.489 -2.201 12.841 1.00 0.00 H new ATOM 31 P DT A 2 -4.017 -4.433 7.048 1.00 0.00 P ATOM 32 OP1 DT A 2 -4.593 -4.368 5.689 1.00 0.00 O ATOM 33 OP2 DT A 2 -4.227 -5.728 7.730 1.00 0.00 O ATOM 34 O5' DT A 2 -2.445 -4.101 7.000 1.00 0.00 O ATOM 35 C5' DT A 2 -1.704 -4.050 5.787 1.00 0.00 C ATOM 36 C4' DT A 2 -0.314 -3.403 5.960 1.00 0.00 C ATOM 37 O4' DT A 2 -0.452 -2.001 6.145 1.00 0.00 O ATOM 38 C3' DT A 2 0.470 -3.941 7.159 1.00 0.00 C ATOM 39 O3' DT A 2 1.859 -3.865 6.870 1.00 0.00 O ATOM 40 C2' DT A 2 0.099 -2.946 8.255 1.00 0.00 C ATOM 41 C1' DT A 2 -0.038 -1.649 7.458 1.00 0.00 C ATOM 42 N1 DT A 2 -0.979 -0.634 8.016 1.00 0.00 N ATOM 43 C2 DT A 2 -0.438 0.514 8.602 1.00 0.00 C ATOM 44 O2 DT A 2 0.753 0.664 8.839 1.00 0.00 O ATOM 45 N3 DT A 2 -1.310 1.542 8.887 1.00 0.00 N ATOM 46 C4 DT A 2 -2.661 1.554 8.627 1.00 0.00 C ATOM 47 O4 DT A 2 -3.323 2.533 8.968 1.00 0.00 O ATOM 48 C5 DT A 2 -3.163 0.344 7.988 1.00 0.00 C ATOM 49 C7 DT A 2 -4.617 0.270 7.564 1.00 0.00 C ATOM 50 C6 DT A 2 -2.334 -0.712 7.758 1.00 0.00 C ATOM 0 H5' DT A 2 -2.271 -3.489 5.044 1.00 0.00 H new ATOM 0 H5'' DT A 2 -1.583 -5.061 5.398 1.00 0.00 H new ATOM 0 H4' DT A 2 0.236 -3.648 5.052 1.00 0.00 H new ATOM 0 H3' DT A 2 0.252 -4.976 7.422 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.829 -3.218 8.758 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.869 -2.876 9.023 1.00 0.00 H new ATOM 0 H1' DT A 2 0.936 -1.162 7.492 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.917 2.371 9.332 1.00 0.00 H new ATOM 0 H71 DT A 2 -5.222 0.886 8.230 1.00 0.00 H new ATOM 0 H72 DT A 2 -4.717 0.635 6.542 1.00 0.00 H new ATOM 0 H73 DT A 2 -4.959 -0.764 7.615 1.00 0.00 H new ATOM 0 H6 DT A 2 -2.745 -1.630 7.365 1.00 0.00 H new ATOM 63 P DT A 3 2.904 -4.967 7.380 1.00 0.00 P ATOM 64 OP1 DT A 3 4.275 -4.633 6.937 1.00 0.00 O ATOM 65 OP2 DT A 3 2.394 -6.329 7.099 1.00 0.00 O ATOM 66 O5' DT A 3 2.909 -4.871 8.976 1.00 0.00 O ATOM 67 C5' DT A 3 3.708 -3.931 9.682 1.00 0.00 C ATOM 68 C4' DT A 3 3.756 -4.292 11.169 1.00 0.00 C ATOM 69 O4' DT A 3 2.514 -3.939 11.736 1.00 0.00 O ATOM 70 C3' DT A 3 3.948 -5.782 11.490 1.00 0.00 C ATOM 71 O3' DT A 3 5.297 -6.211 11.606 1.00 0.00 O ATOM 72 C2' DT A 3 3.252 -5.889 12.847 1.00 0.00 C ATOM 73 C1' DT A 3 2.290 -4.694 12.905 1.00 0.00 C ATOM 74 N1 DT A 3 0.857 -5.091 12.927 1.00 0.00 N ATOM 75 C2 DT A 3 0.219 -5.185 14.167 1.00 0.00 C ATOM 76 O2 DT A 3 0.760 -4.911 15.232 1.00 0.00 O ATOM 77 N3 DT A 3 -1.087 -5.628 14.162 1.00 0.00 N ATOM 78 C4 DT A 3 -1.798 -6.028 13.049 1.00 0.00 C ATOM 79 O4 DT A 3 -2.952 -6.412 13.196 1.00 0.00 O ATOM 80 C5 DT A 3 -1.066 -5.920 11.789 1.00 0.00 C ATOM 81 C7 DT A 3 -1.701 -6.344 10.481 1.00 0.00 C ATOM 82 C6 DT A 3 0.196 -5.423 11.761 1.00 0.00 C ATOM 0 H5' DT A 3 3.300 -2.928 9.556 1.00 0.00 H new ATOM 0 H5'' DT A 3 4.717 -3.918 9.270 1.00 0.00 H new ATOM 0 H4' DT A 3 4.621 -3.760 11.565 1.00 0.00 H new ATOM 0 H3' DT A 3 3.559 -6.411 10.690 1.00 0.00 H new ATOM 0 H2' DT A 3 2.713 -6.832 12.939 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.974 -5.853 13.663 1.00 0.00 H new ATOM 0 H1' DT A 3 2.482 -4.143 13.826 1.00 0.00 H new ATOM 0 H3 DT A 3 -1.570 -5.663 15.060 1.00 0.00 H new ATOM 0 H71 DT A 3 -1.293 -5.744 9.667 1.00 0.00 H new ATOM 0 H72 DT A 3 -1.488 -7.397 10.298 1.00 0.00 H new ATOM 0 H73 DT A 3 -2.780 -6.196 10.535 1.00 0.00 H new ATOM 0 H6 DT A 3 0.692 -5.285 10.811 1.00 0.00 H new ATOM 95 P DA A 4 6.271 -6.396 10.334 1.00 0.00 P ATOM 96 OP1 DA A 4 5.463 -6.673 9.117 1.00 0.00 O ATOM 97 OP2 DA A 4 7.379 -7.296 10.682 1.00 0.00 O ATOM 98 O5' DA A 4 6.875 -4.928 10.078 1.00 0.00 O ATOM 99 C5' DA A 4 7.939 -4.438 10.879 1.00 0.00 C ATOM 100 C4' DA A 4 7.931 -2.908 10.961 1.00 0.00 C ATOM 101 O4' DA A 4 6.739 -2.497 11.612 1.00 0.00 O ATOM 102 C3' DA A 4 9.117 -2.420 11.821 1.00 0.00 C ATOM 103 O3' DA A 4 9.758 -1.231 11.383 1.00 0.00 O ATOM 104 C2' DA A 4 8.429 -2.090 13.137 1.00 0.00 C ATOM 105 C1' DA A 4 7.074 -1.584 12.637 1.00 0.00 C ATOM 106 N9 DA A 4 6.033 -1.551 13.698 1.00 0.00 N ATOM 107 C8 DA A 4 6.188 -1.678 15.060 1.00 0.00 C ATOM 108 N7 DA A 4 5.075 -1.688 15.738 1.00 0.00 N ATOM 109 C5 DA A 4 4.100 -1.526 14.749 1.00 0.00 C ATOM 110 C6 DA A 4 2.687 -1.481 14.754 1.00 0.00 C ATOM 111 N6 DA A 4 1.924 -1.635 15.825 1.00 0.00 N ATOM 112 N1 DA A 4 2.014 -1.349 13.610 1.00 0.00 N ATOM 113 C2 DA A 4 2.698 -1.200 12.483 1.00 0.00 C ATOM 114 N3 DA A 4 4.018 -1.203 12.330 1.00 0.00 N ATOM 115 C4 DA A 4 4.673 -1.397 13.510 1.00 0.00 C ATOM 0 H5' DA A 4 8.890 -4.775 10.466 1.00 0.00 H new ATOM 0 H5'' DA A 4 7.861 -4.856 11.883 1.00 0.00 H new ATOM 0 H4' DA A 4 8.001 -2.497 9.954 1.00 0.00 H new ATOM 0 H3' DA A 4 9.903 -3.175 11.821 1.00 0.00 H new ATOM 0 H2' DA A 4 8.331 -2.963 13.782 1.00 0.00 H new ATOM 0 H2'' DA A 4 8.968 -1.333 13.706 1.00 0.00 H new ATOM 0 H1' DA A 4 7.130 -0.550 12.296 1.00 0.00 H new ATOM 0 H8 DA A 4 7.157 -1.763 15.530 1.00 0.00 H new ATOM 0 H61 DA A 4 0.909 -1.588 15.739 1.00 0.00 H new ATOM 0 H62 DA A 4 2.352 -1.801 16.736 1.00 0.00 H new ATOM 0 H2 DA A 4 2.114 -1.060 11.585 1.00 0.00 H new ATOM 127 P DT A 5 10.304 -1.037 9.890 1.00 0.00 P ATOM 128 OP1 DT A 5 10.425 -2.353 9.226 1.00 0.00 O ATOM 129 OP2 DT A 5 11.545 -0.237 9.898 1.00 0.00 O ATOM 130 O5' DT A 5 9.128 -0.206 9.203 1.00 0.00 O ATOM 131 C5' DT A 5 8.939 1.171 9.483 1.00 0.00 C ATOM 132 C4' DT A 5 7.488 1.525 9.160 1.00 0.00 C ATOM 133 O4' DT A 5 6.642 1.141 10.247 1.00 0.00 O ATOM 134 C3' DT A 5 7.247 3.025 8.924 1.00 0.00 C ATOM 135 O3' DT A 5 6.455 3.160 7.753 1.00 0.00 O ATOM 136 C2' DT A 5 6.469 3.450 10.169 1.00 0.00 C ATOM 137 C1' DT A 5 5.689 2.173 10.445 1.00 0.00 C ATOM 138 N1 DT A 5 5.041 2.131 11.781 1.00 0.00 N ATOM 139 C2 DT A 5 3.642 2.081 11.830 1.00 0.00 C ATOM 140 O2 DT A 5 2.923 2.179 10.840 1.00 0.00 O ATOM 141 N3 DT A 5 3.074 1.945 13.076 1.00 0.00 N ATOM 142 C4 DT A 5 3.749 1.897 14.273 1.00 0.00 C ATOM 143 O4 DT A 5 3.096 1.757 15.304 1.00 0.00 O ATOM 144 C5 DT A 5 5.199 2.041 14.158 1.00 0.00 C ATOM 145 C7 DT A 5 6.058 2.044 15.408 1.00 0.00 C ATOM 146 C6 DT A 5 5.788 2.157 12.937 1.00 0.00 C ATOM 0 H5' DT A 5 9.621 1.778 8.887 1.00 0.00 H new ATOM 0 H5'' DT A 5 9.158 1.380 10.530 1.00 0.00 H new ATOM 0 H4' DT A 5 7.261 0.989 8.238 1.00 0.00 H new ATOM 0 H3' DT A 5 8.148 3.622 8.782 1.00 0.00 H new ATOM 0 H2' DT A 5 7.124 3.725 10.996 1.00 0.00 H new ATOM 0 H2'' DT A 5 5.817 4.304 9.982 1.00 0.00 H new ATOM 0 H1' DT A 5 4.830 2.077 9.781 1.00 0.00 H new ATOM 0 H3 DT A 5 2.057 1.873 13.115 1.00 0.00 H new ATOM 0 H71 DT A 5 7.041 1.634 15.175 1.00 0.00 H new ATOM 0 H72 DT A 5 6.168 3.066 15.772 1.00 0.00 H new ATOM 0 H73 DT A 5 5.584 1.434 16.177 1.00 0.00 H new ATOM 0 H6 DT A 5 6.860 2.271 12.874 1.00 0.00 H new ATOM 159 P DT A 6 6.145 4.587 7.088 1.00 0.00 P ATOM 160 OP1 DT A 6 6.154 4.417 5.617 1.00 0.00 O ATOM 161 OP2 DT A 6 6.921 5.655 7.743 1.00 0.00 O ATOM 162 O5' DT A 6 4.589 4.774 7.446 1.00 0.00 O ATOM 163 C5' DT A 6 3.925 5.998 7.159 1.00 0.00 C ATOM 164 C4' DT A 6 2.420 5.830 6.871 1.00 0.00 C ATOM 165 O4' DT A 6 2.237 4.662 6.072 1.00 0.00 O ATOM 166 C3' DT A 6 1.566 5.615 8.124 1.00 0.00 C ATOM 167 O3' DT A 6 0.232 5.986 7.808 1.00 0.00 O ATOM 168 C2' DT A 6 1.688 4.107 8.306 1.00 0.00 C ATOM 169 C1' DT A 6 1.513 3.713 6.845 1.00 0.00 C ATOM 170 N1 DT A 6 1.896 2.327 6.480 1.00 0.00 N ATOM 171 C2 DT A 6 1.019 1.616 5.650 1.00 0.00 C ATOM 172 O2 DT A 6 -0.070 2.043 5.285 1.00 0.00 O ATOM 173 N3 DT A 6 1.440 0.379 5.217 1.00 0.00 N ATOM 174 C4 DT A 6 2.621 -0.237 5.568 1.00 0.00 C ATOM 175 O4 DT A 6 2.884 -1.323 5.069 1.00 0.00 O ATOM 176 C5 DT A 6 3.437 0.510 6.520 1.00 0.00 C ATOM 177 C7 DT A 6 4.702 -0.106 7.076 1.00 0.00 C ATOM 178 C6 DT A 6 3.065 1.751 6.935 1.00 0.00 C ATOM 0 H5' DT A 6 4.401 6.467 6.298 1.00 0.00 H new ATOM 0 H5'' DT A 6 4.052 6.677 8.002 1.00 0.00 H new ATOM 0 H4' DT A 6 2.104 6.754 6.387 1.00 0.00 H new ATOM 0 H3' DT A 6 1.856 6.180 9.010 1.00 0.00 H new ATOM 0 H2' DT A 6 2.650 3.803 8.718 1.00 0.00 H new ATOM 0 H2'' DT A 6 0.918 3.692 8.956 1.00 0.00 H new ATOM 0 H1' DT A 6 0.443 3.723 6.639 1.00 0.00 H new ATOM 0 H3 DT A 6 0.823 -0.126 4.580 1.00 0.00 H new ATOM 0 H71 DT A 6 4.592 -1.190 7.117 1.00 0.00 H new ATOM 0 H72 DT A 6 5.544 0.149 6.433 1.00 0.00 H new ATOM 0 H73 DT A 6 4.883 0.278 8.080 1.00 0.00 H new ATOM 0 H6 DT A 6 3.692 2.292 7.629 1.00 0.00 H new ATOM 191 P DT A 7 -0.915 6.207 8.911 1.00 0.00 P ATOM 192 OP1 DT A 7 -2.081 5.377 8.540 1.00 0.00 O ATOM 193 OP2 DT A 7 -1.116 7.658 9.117 1.00 0.00 O ATOM 194 O5' DT A 7 -0.351 5.648 10.305 1.00 0.00 O ATOM 195 C5' DT A 7 -0.833 4.456 10.907 1.00 0.00 C ATOM 196 C4' DT A 7 -0.544 4.466 12.394 1.00 0.00 C ATOM 197 O4' DT A 7 0.824 4.233 12.631 1.00 0.00 O ATOM 198 C3' DT A 7 -0.929 5.733 13.135 1.00 0.00 C ATOM 199 O3' DT A 7 -2.305 5.707 13.497 1.00 0.00 O ATOM 200 C2' DT A 7 -0.013 5.593 14.350 1.00 0.00 C ATOM 201 C1' DT A 7 1.066 4.565 13.978 1.00 0.00 C ATOM 202 N1 DT A 7 2.458 5.058 14.169 1.00 0.00 N ATOM 203 C2 DT A 7 2.942 5.097 15.482 1.00 0.00 C ATOM 204 O2 DT A 7 2.270 4.807 16.465 1.00 0.00 O ATOM 205 N3 DT A 7 4.249 5.497 15.651 1.00 0.00 N ATOM 206 C4 DT A 7 5.111 5.881 14.647 1.00 0.00 C ATOM 207 O4 DT A 7 6.251 6.210 14.950 1.00 0.00 O ATOM 208 C5 DT A 7 4.539 5.840 13.302 1.00 0.00 C ATOM 209 C7 DT A 7 5.383 6.271 12.117 1.00 0.00 C ATOM 210 C6 DT A 7 3.259 5.423 13.100 1.00 0.00 C ATOM 0 H5' DT A 7 -0.361 3.590 10.443 1.00 0.00 H new ATOM 0 H5'' DT A 7 -1.906 4.363 10.738 1.00 0.00 H new ATOM 0 H4' DT A 7 -1.178 3.670 12.784 1.00 0.00 H new ATOM 0 H3' DT A 7 -0.817 6.665 12.581 1.00 0.00 H new ATOM 0 H2' DT A 7 0.438 6.552 14.606 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.577 5.263 15.223 1.00 0.00 H new ATOM 0 H1' DT A 7 0.998 3.702 14.640 1.00 0.00 H new ATOM 0 H3 DT A 7 4.611 5.510 16.604 1.00 0.00 H new ATOM 0 H71 DT A 7 5.072 5.720 11.229 1.00 0.00 H new ATOM 0 H72 DT A 7 5.251 7.339 11.946 1.00 0.00 H new ATOM 0 H73 DT A 7 6.433 6.064 12.324 1.00 0.00 H new ATOM 0 H6 DT A 7 2.864 5.376 12.096 1.00 0.00 H new ATOM 223 P DA A 8 -3.422 6.536 12.681 1.00 0.00 P ATOM 224 OP1 DA A 8 -3.459 6.095 11.268 1.00 0.00 O ATOM 225 OP2 DA A 8 -3.112 7.969 12.851 1.00 0.00 O ATOM 226 O5' DA A 8 -4.845 6.202 13.365 1.00 0.00 O ATOM 227 C5' DA A 8 -5.321 4.879 13.609 1.00 0.00 C ATOM 228 C4' DA A 8 -5.629 4.050 12.345 1.00 0.00 C ATOM 229 O4' DA A 8 -4.445 3.503 11.778 1.00 0.00 O ATOM 230 C3' DA A 8 -6.559 2.844 12.604 1.00 0.00 C ATOM 231 O3' DA A 8 -7.720 2.949 11.801 1.00 0.00 O ATOM 232 C2' DA A 8 -5.755 1.610 12.178 1.00 0.00 C ATOM 233 C1' DA A 8 -4.354 2.130 12.108 1.00 0.00 C ATOM 234 N9 DA A 8 -3.590 1.872 13.350 1.00 0.00 N ATOM 235 C8 DA A 8 -3.904 1.910 14.690 1.00 0.00 C ATOM 236 N7 DA A 8 -2.871 1.747 15.479 1.00 0.00 N ATOM 237 C5 DA A 8 -1.814 1.536 14.584 1.00 0.00 C ATOM 238 C6 DA A 8 -0.406 1.399 14.667 1.00 0.00 C ATOM 239 N6 DA A 8 0.316 1.496 15.769 1.00 0.00 N ATOM 240 N1 DA A 8 0.321 1.287 13.548 1.00 0.00 N ATOM 241 C2 DA A 8 -0.317 1.234 12.385 1.00 0.00 C ATOM 242 N3 DA A 8 -1.605 1.335 12.154 1.00 0.00 N ATOM 243 C4 DA A 8 -2.288 1.507 13.304 1.00 0.00 C ATOM 0 H5' DA A 8 -6.226 4.941 14.213 1.00 0.00 H new ATOM 0 H5'' DA A 8 -4.578 4.346 14.202 1.00 0.00 H new ATOM 0 H4' DA A 8 -6.116 4.761 11.678 1.00 0.00 H new ATOM 0 H3' DA A 8 -6.874 2.793 13.646 1.00 0.00 H new ATOM 0 H2' DA A 8 -5.849 0.798 12.899 1.00 0.00 H new ATOM 0 H2'' DA A 8 -6.090 1.222 11.216 1.00 0.00 H new ATOM 0 HO3' DA A 8 -8.304 2.180 11.969 1.00 0.00 H new ATOM 0 H1' DA A 8 -3.785 1.603 11.342 1.00 0.00 H new ATOM 0 H8 DA A 8 -4.909 2.060 15.057 1.00 0.00 H new ATOM 0 H61 DA A 8 1.329 1.381 15.727 1.00 0.00 H new ATOM 0 H62 DA A 8 -0.139 1.686 16.662 1.00 0.00 H new ATOM 0 H2 DA A 8 0.306 1.089 11.515 1.00 0.00 H new TER 256 DA A 8 HETATM 257 NA NA A 101 3.689 -7.636 8.278 1.00 0.00 NA HETATM 258 NA NA A 102 -3.803 4.627 9.656 1.00 0.00 NA HETATM 259 NA NA A 103 -5.297 -6.516 5.894 1.00 0.00 NA HETATM 260 NA NA A 104 4.151 3.782 5.093 1.00 0.00 NA HETATM 261 NA NA A 105 -2.465 8.207 10.721 1.00 0.00 NA HETATM 262 NA NA A 106 6.231 -4.974 7.797 1.00 0.00 NA HETATM 263 NA NA A 107 12.578 -1.862 8.714 1.00 0.00 NA