USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 184 hydrogens (48 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 2 DT C7 :methyl 150:sc= -0.533 (180deg=-0.533) USER MOD Single : A 7 DA O3' : rot 180:sc= 0 USER MOD Single : B 2 DT C7 :methyl 150:sc= -0.52 (180deg=-0.52) USER MOD Single : B 7 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C1 TMS A 1 -6.790 3.397 8.396 0.80 0.00 C HETATM 2 O20 TMS A 1 -11.350 -0.660 7.527 0.80 0.00 O HETATM 3 C20 TMS A 1 -10.928 -1.572 8.531 0.80 0.00 C HETATM 4 O21 TMS A 1 -12.225 1.003 5.612 0.80 0.00 O HETATM 5 C21 TMS A 1 -12.038 0.085 4.571 0.80 0.00 C HETATM 6 O22 TMS A 1 -10.915 3.276 5.059 0.80 0.00 O HETATM 7 C22 TMS A 1 -10.273 4.496 4.715 0.80 0.00 C HETATM 8 C2 TMS A 1 -7.521 2.286 8.555 0.80 0.00 C HETATM 9 C3 TMS A 1 -5.569 3.700 9.180 0.80 0.00 C HETATM 10 C4 TMS A 1 -8.742 1.973 7.777 0.80 0.00 C HETATM 11 C5 TMS A 1 -5.148 2.801 10.178 0.80 0.00 C HETATM 12 C6 TMS A 1 -4.805 4.864 8.962 0.80 0.00 C HETATM 13 C7 TMS A 1 -9.449 0.786 8.049 0.80 0.00 C HETATM 14 C8 TMS A 1 -9.222 2.831 6.766 0.80 0.00 C HETATM 15 C9 TMS A 1 -3.996 3.054 10.942 0.80 0.00 C HETATM 16 C10 TMS A 1 -3.651 5.117 9.726 0.80 0.00 C HETATM 17 C11 TMS A 1 -10.612 0.457 7.330 0.80 0.00 C HETATM 18 C12 TMS A 1 -10.386 2.510 6.040 0.80 0.00 C HETATM 19 C13 TMS A 1 -3.228 4.219 10.726 0.80 0.00 C HETATM 20 C14 TMS A 1 -11.083 1.320 6.323 0.80 0.00 C HETATM 21 C15 TMS A 1 -2.004 4.511 11.519 0.80 0.00 C HETATM 22 N1 TMS A 1 -1.626 3.627 12.453 0.80 0.00 N HETATM 23 C16 TMS A 1 -0.448 3.819 13.279 0.80 0.00 C HETATM 24 O1 TMS A 1 -1.365 5.542 11.309 0.80 0.00 O HETATM 25 C17 TMS A 1 -0.500 3.126 14.583 0.80 0.00 C HETATM 26 C18 TMS A 1 -0.031 1.745 14.355 0.80 0.00 C HETATM 27 O2 TMS A 1 -1.151 1.017 14.856 0.80 0.00 O HETATM 0 HLB TMS A 1 0.888 1.522 14.898 0.80 0.00 H new HETATM 0 HLA TMS A 1 0.163 1.539 13.302 0.80 0.00 H new HETATM 0 HKB TMS A 1 0.130 3.632 15.314 0.80 0.00 H new HETATM 0 HKA TMS A 1 -1.515 3.128 14.981 0.80 0.00 H new HETATM 0 HJB TMS A 1 -0.311 4.886 13.453 0.80 0.00 H new HETATM 0 HJA TMS A 1 0.427 3.470 12.730 0.80 0.00 H new HETATM 0 HGC TMS A 1 -9.927 -1.933 8.297 0.80 0.00 H new HETATM 0 HGB TMS A 1 -10.915 -1.069 9.498 0.80 0.00 H new HETATM 0 HGA TMS A 1 -11.618 -2.415 8.570 0.80 0.00 H new HETATM 0 HFC TMS A 1 -10.244 5.150 5.586 0.80 0.00 H new HETATM 0 HFB TMS A 1 -9.256 4.290 4.382 0.80 0.00 H new HETATM 0 HFA TMS A 1 -10.826 4.984 3.913 0.80 0.00 H new HETATM 0 HE3 TMS A 1 -7.196 1.565 9.306 0.80 0.00 H new HETATM 0 HE2 TMS A 1 -7.112 4.120 7.647 0.80 0.00 H new HETATM 0 HD9 TMS A 1 -3.074 6.023 9.541 0.80 0.00 H new HETATM 0 HD8 TMS A 1 -3.692 2.343 11.710 0.80 0.00 H new HETATM 0 HC5 TMS A 1 -5.111 5.575 8.194 0.80 0.00 H new HETATM 0 HC4 TMS A 1 -5.725 1.894 10.361 0.80 0.00 H new HETATM 0 HB7 TMS A 1 -8.686 3.754 6.544 0.80 0.00 H new HETATM 0 HB6 TMS A 1 -9.090 0.113 8.828 0.80 0.00 H new HETATM 0 H1C TMS A 1 -11.325 0.490 3.852 0.80 0.00 H new HETATM 0 H1B TMS A 1 -11.653 -0.851 4.976 0.80 0.00 H new HETATM 0 H1A TMS A 1 -12.990 -0.100 4.073 0.80 0.00 H new HETATM 0 H1 TMS A 1 -2.188 2.787 12.589 0.80 0.00 H new ATOM 52 P DT A 2 -1.313 -0.419 14.508 0.80 0.00 P ATOM 53 OP1 DT A 2 -0.083 -1.137 14.929 0.80 0.00 O ATOM 54 OP2 DT A 2 -2.633 -0.867 15.020 0.80 0.00 O ATOM 55 O5' DT A 2 -1.367 -0.429 12.915 0.80 0.00 O ATOM 56 C5' DT A 2 -2.353 0.324 12.206 0.80 0.00 C ATOM 57 C4' DT A 2 -3.410 -0.597 11.642 0.80 0.00 C ATOM 58 O4' DT A 2 -4.221 0.146 10.701 0.80 0.00 O ATOM 59 C3' DT A 2 -2.875 -1.799 10.864 0.80 0.00 C ATOM 60 O3' DT A 2 -3.762 -2.916 11.005 0.80 0.00 O ATOM 61 C2' DT A 2 -2.856 -1.298 9.432 0.80 0.00 C ATOM 62 C1' DT A 2 -4.070 -0.384 9.391 0.80 0.00 C ATOM 63 N1 DT A 2 -3.949 0.750 8.455 0.80 0.00 N ATOM 64 C2 DT A 2 -4.925 0.910 7.497 0.80 0.00 C ATOM 65 O2 DT A 2 -5.880 0.161 7.386 0.80 0.00 O ATOM 66 N3 DT A 2 -4.741 1.984 6.669 0.80 0.00 N ATOM 67 C4 DT A 2 -3.707 2.894 6.699 0.80 0.00 C ATOM 68 O4 DT A 2 -3.684 3.818 5.891 0.80 0.00 O ATOM 69 C5 DT A 2 -2.717 2.669 7.728 0.80 0.00 C ATOM 70 C7 DT A 2 -1.555 3.606 7.833 0.80 0.00 C ATOM 71 C6 DT A 2 -2.882 1.621 8.548 0.80 0.00 C ATOM 0 H5' DT A 2 -1.881 0.885 11.399 0.80 0.00 H new ATOM 0 H5'' DT A 2 -2.814 1.052 12.873 0.80 0.00 H new ATOM 0 H4' DT A 2 -3.951 -0.969 12.512 0.80 0.00 H new ATOM 0 H3' DT A 2 -1.899 -2.143 11.207 0.80 0.00 H new ATOM 0 H2' DT A 2 -1.936 -0.762 9.201 0.80 0.00 H new ATOM 0 H2'' DT A 2 -2.938 -2.115 8.715 0.80 0.00 H new ATOM 0 H1' DT A 2 -4.918 -0.976 9.047 0.80 0.00 H new ATOM 0 H3 DT A 2 -5.449 2.127 5.949 0.80 0.00 H new ATOM 0 H71 DT A 2 -1.227 3.663 8.871 0.80 0.00 H new ATOM 0 H72 DT A 2 -0.736 3.241 7.213 0.80 0.00 H new ATOM 0 H73 DT A 2 -1.855 4.597 7.492 0.80 0.00 H new ATOM 0 H6 DT A 2 -2.145 1.450 9.318 0.80 0.00 H new ATOM 84 P DG A 3 -3.437 -4.297 10.246 0.80 0.00 P ATOM 85 OP1 DG A 3 -4.106 -5.398 10.984 0.80 0.00 O ATOM 86 OP2 DG A 3 -1.971 -4.353 10.016 0.80 0.00 O ATOM 87 O5' DG A 3 -4.152 -4.136 8.830 0.80 0.00 O ATOM 88 C5' DG A 3 -5.576 -4.087 8.726 0.80 0.00 C ATOM 89 C4' DG A 3 -6.007 -4.303 7.293 0.80 0.00 C ATOM 90 O4' DG A 3 -5.955 -3.033 6.595 0.80 0.00 O ATOM 91 C3' DG A 3 -5.133 -5.268 6.485 0.80 0.00 C ATOM 92 O3' DG A 3 -5.960 -6.122 5.681 0.80 0.00 O ATOM 93 C2' DG A 3 -4.294 -4.345 5.617 0.80 0.00 C ATOM 94 C1' DG A 3 -5.240 -3.188 5.385 0.80 0.00 C ATOM 95 N9 DG A 3 -4.588 -1.919 5.078 0.80 0.00 N ATOM 96 C8 DG A 3 -3.520 -1.355 5.732 0.80 0.00 C ATOM 97 N7 DG A 3 -3.149 -0.212 5.224 0.80 0.00 N ATOM 98 C5 DG A 3 -4.028 -0.006 4.169 0.80 0.00 C ATOM 99 C6 DG A 3 -4.119 1.065 3.244 0.80 0.00 C ATOM 100 O6 DG A 3 -3.420 2.081 3.170 0.80 0.00 O ATOM 101 N1 DG A 3 -5.155 0.870 2.337 0.80 0.00 N ATOM 102 C2 DG A 3 -5.997 -0.213 2.322 0.80 0.00 C ATOM 103 N2 DG A 3 -6.937 -0.219 1.371 0.80 0.00 N ATOM 104 N3 DG A 3 -5.925 -1.217 3.177 0.80 0.00 N ATOM 105 C4 DG A 3 -4.923 -1.050 4.067 0.80 0.00 C ATOM 0 H5' DG A 3 -5.940 -3.123 9.081 0.80 0.00 H new ATOM 0 H5'' DG A 3 -6.020 -4.850 9.365 0.80 0.00 H new ATOM 0 H4' DG A 3 -7.004 -4.738 7.361 0.80 0.00 H new ATOM 0 H3' DG A 3 -4.524 -5.926 7.104 0.80 0.00 H new ATOM 0 H2' DG A 3 -3.380 -4.030 6.120 0.80 0.00 H new ATOM 0 H2'' DG A 3 -3.996 -4.822 4.683 0.80 0.00 H new ATOM 0 H1' DG A 3 -5.856 -3.421 4.516 0.80 0.00 H new ATOM 0 H8 DG A 3 -3.036 -1.812 6.582 0.80 0.00 H new ATOM 0 H1 DG A 3 -5.300 1.588 1.627 0.80 0.00 H new ATOM 0 H21 DG A 3 -7.594 -0.997 1.308 0.80 0.00 H new ATOM 0 H22 DG A 3 -6.997 0.555 0.709 0.80 0.00 H new ATOM 117 P DC A 4 -5.287 -7.124 4.616 0.80 0.00 P ATOM 118 OP1 DC A 4 -6.011 -8.419 4.687 0.80 0.00 O ATOM 119 OP2 DC A 4 -3.815 -7.097 4.816 0.80 0.00 O ATOM 120 O5' DC A 4 -5.607 -6.454 3.205 0.80 0.00 O ATOM 121 C5' DC A 4 -6.941 -6.421 2.693 0.80 0.00 C ATOM 122 C4' DC A 4 -6.950 -5.868 1.286 0.80 0.00 C ATOM 123 O4' DC A 4 -6.372 -4.540 1.302 0.80 0.00 O ATOM 124 C3' DC A 4 -6.137 -6.666 0.265 0.80 0.00 C ATOM 125 O3' DC A 4 -6.794 -6.649 -1.009 0.80 0.00 O ATOM 126 C2' DC A 4 -4.818 -5.917 0.209 0.80 0.00 C ATOM 127 C1' DC A 4 -5.255 -4.482 0.431 0.80 0.00 C ATOM 128 N1 DC A 4 -4.239 -3.619 1.055 0.80 0.00 N ATOM 129 C2 DC A 4 -3.942 -2.389 0.462 0.80 0.00 C ATOM 130 O2 DC A 4 -4.545 -2.059 -0.569 0.80 0.00 O ATOM 131 N3 DC A 4 -3.008 -1.591 1.027 0.80 0.00 N ATOM 132 C4 DC A 4 -2.383 -1.981 2.139 0.80 0.00 C ATOM 133 N4 DC A 4 -1.472 -1.159 2.663 0.80 0.00 N ATOM 134 C5 DC A 4 -2.665 -3.229 2.766 0.80 0.00 C ATOM 135 C6 DC A 4 -3.592 -4.009 2.195 0.80 0.00 C ATOM 0 H5' DC A 4 -7.570 -5.806 3.337 0.80 0.00 H new ATOM 0 H5'' DC A 4 -7.365 -7.425 2.699 0.80 0.00 H new ATOM 0 H4' DC A 4 -7.996 -5.901 0.980 0.80 0.00 H new ATOM 0 H3' DC A 4 -6.013 -7.716 0.529 0.80 0.00 H new ATOM 0 H2' DC A 4 -4.125 -6.255 0.979 0.80 0.00 H new ATOM 0 H2'' DC A 4 -4.317 -6.046 -0.750 0.80 0.00 H new ATOM 0 H1' DC A 4 -5.463 -4.043 -0.545 0.80 0.00 H new ATOM 0 H41 DC A 4 -0.974 -1.424 3.513 0.80 0.00 H new ATOM 0 H42 DC A 4 -1.273 -0.265 2.214 0.80 0.00 H new ATOM 0 H5 DC A 4 -2.152 -3.534 3.666 0.80 0.00 H new ATOM 0 H6 DC A 4 -3.833 -4.962 2.642 0.80 0.00 H new ATOM 147 P DG A 5 -6.086 -7.320 -2.290 0.80 0.00 P ATOM 148 OP1 DG A 5 -7.159 -7.928 -3.116 0.80 0.00 O ATOM 149 OP2 DG A 5 -4.953 -8.162 -1.826 0.80 0.00 O ATOM 150 O5' DG A 5 -5.488 -6.079 -3.093 0.80 0.00 O ATOM 151 C5' DG A 5 -6.288 -4.927 -3.367 0.80 0.00 C ATOM 152 C4' DG A 5 -5.640 -4.077 -4.436 0.80 0.00 C ATOM 153 O4' DG A 5 -4.747 -3.127 -3.801 0.80 0.00 O ATOM 154 C3' DG A 5 -4.789 -4.839 -5.456 0.80 0.00 C ATOM 155 O3' DG A 5 -4.977 -4.279 -6.763 0.80 0.00 O ATOM 156 C2' DG A 5 -3.370 -4.618 -4.962 0.80 0.00 C ATOM 157 C1' DG A 5 -3.455 -3.225 -4.374 0.80 0.00 C ATOM 158 N9 DG A 5 -2.476 -2.943 -3.330 0.80 0.00 N ATOM 159 C8 DG A 5 -2.208 -3.701 -2.217 0.80 0.00 C ATOM 160 N7 DG A 5 -1.274 -3.194 -1.460 0.80 0.00 N ATOM 161 C5 DG A 5 -0.901 -2.028 -2.114 0.80 0.00 C ATOM 162 C6 DG A 5 0.071 -1.053 -1.771 0.80 0.00 C ATOM 163 O6 DG A 5 0.821 -1.023 -0.789 0.80 0.00 O ATOM 164 N1 DG A 5 0.123 -0.030 -2.713 0.80 0.00 N ATOM 165 C2 DG A 5 -0.657 0.044 -3.839 0.80 0.00 C ATOM 166 N2 DG A 5 -0.459 1.106 -4.627 0.80 0.00 N ATOM 167 N3 DG A 5 -1.565 -0.856 -4.171 0.80 0.00 N ATOM 168 C4 DG A 5 -1.634 -1.858 -3.269 0.80 0.00 C ATOM 0 H5' DG A 5 -6.417 -4.341 -2.457 0.80 0.00 H new ATOM 0 H5'' DG A 5 -7.282 -5.235 -3.692 0.80 0.00 H new ATOM 0 H4' DG A 5 -6.473 -3.623 -4.973 0.80 0.00 H new ATOM 0 H3' DG A 5 -5.042 -5.896 -5.538 0.80 0.00 H new ATOM 0 H2' DG A 5 -3.077 -5.358 -4.217 0.80 0.00 H new ATOM 0 H2'' DG A 5 -2.642 -4.675 -5.772 0.80 0.00 H new ATOM 0 H1' DG A 5 -3.254 -2.509 -5.171 0.80 0.00 H new ATOM 0 H8 DG A 5 -2.719 -4.625 -1.991 0.80 0.00 H new ATOM 0 H1 DG A 5 0.793 0.723 -2.554 0.80 0.00 H new ATOM 0 H21 DG A 5 -1.008 1.218 -5.479 0.80 0.00 H new ATOM 0 H22 DG A 5 0.241 1.804 -4.376 0.80 0.00 H new ATOM 180 P DC A 6 -4.105 -4.820 -8.003 0.80 0.00 P ATOM 181 OP1 DC A 6 -5.035 -4.986 -9.149 0.80 0.00 O ATOM 182 OP2 DC A 6 -3.283 -5.973 -7.555 0.80 0.00 O ATOM 183 O5' DC A 6 -3.127 -3.607 -8.340 0.80 0.00 O ATOM 184 C5' DC A 6 -3.643 -2.346 -8.771 0.80 0.00 C ATOM 185 C4' DC A 6 -2.514 -1.421 -9.165 0.80 0.00 C ATOM 186 O4' DC A 6 -1.699 -1.155 -7.997 0.80 0.00 O ATOM 187 C3' DC A 6 -1.560 -1.970 -10.227 0.80 0.00 C ATOM 188 O3' DC A 6 -1.123 -0.913 -11.090 0.80 0.00 O ATOM 189 C2' DC A 6 -0.403 -2.520 -9.412 0.80 0.00 C ATOM 190 C1' DC A 6 -0.365 -1.591 -8.212 0.80 0.00 C ATOM 191 N1 DC A 6 0.107 -2.221 -6.969 0.80 0.00 N ATOM 192 C2 DC A 6 1.132 -1.605 -6.245 0.80 0.00 C ATOM 193 O2 DC A 6 1.618 -0.548 -6.672 0.80 0.00 O ATOM 194 N3 DC A 6 1.568 -2.178 -5.100 0.80 0.00 N ATOM 195 C4 DC A 6 1.020 -3.317 -4.674 0.80 0.00 C ATOM 196 N4 DC A 6 1.479 -3.843 -3.538 0.80 0.00 N ATOM 197 C5 DC A 6 -0.024 -3.967 -5.392 0.80 0.00 C ATOM 198 C6 DC A 6 -0.445 -3.389 -6.524 0.80 0.00 C ATOM 0 H5' DC A 6 -4.230 -1.894 -7.972 0.80 0.00 H new ATOM 0 H5'' DC A 6 -4.315 -2.491 -9.617 0.80 0.00 H new ATOM 0 H4' DC A 6 -3.005 -0.541 -9.581 0.80 0.00 H new ATOM 0 H3' DC A 6 -2.014 -2.723 -10.871 0.80 0.00 H new ATOM 0 H2' DC A 6 -0.573 -3.555 -9.117 0.80 0.00 H new ATOM 0 H2'' DC A 6 0.532 -2.497 -9.971 0.80 0.00 H new ATOM 0 H1' DC A 6 0.339 -0.790 -8.437 0.80 0.00 H new ATOM 0 H41 DC A 6 1.083 -4.713 -3.182 0.80 0.00 H new ATOM 0 H42 DC A 6 2.226 -3.375 -3.025 0.80 0.00 H new ATOM 0 H5 DC A 6 -0.459 -4.890 -5.037 0.80 0.00 H new ATOM 0 H6 DC A 6 -1.235 -3.854 -7.095 0.80 0.00 H new ATOM 210 P DA A 7 -0.129 -1.235 -12.312 0.80 0.00 P ATOM 211 OP1 DA A 7 -0.421 -0.257 -13.390 0.80 0.00 O ATOM 212 OP2 DA A 7 -0.191 -2.690 -12.606 0.80 0.00 O ATOM 213 O5' DA A 7 1.317 -0.907 -11.727 0.80 0.00 O ATOM 214 C5' DA A 7 1.593 0.352 -11.111 0.80 0.00 C ATOM 215 C4' DA A 7 3.078 0.632 -11.133 0.80 0.00 C ATOM 216 O4' DA A 7 3.535 0.818 -9.772 0.80 0.00 O ATOM 217 C3' DA A 7 3.945 -0.487 -11.707 0.80 0.00 C ATOM 218 O3' DA A 7 4.192 -0.278 -13.099 0.80 0.00 O ATOM 219 C2' DA A 7 5.233 -0.359 -10.916 0.80 0.00 C ATOM 220 C1' DA A 7 4.743 0.102 -9.553 0.80 0.00 C ATOM 221 N9 DA A 7 4.458 -0.982 -8.614 0.80 0.00 N ATOM 222 C8 DA A 7 3.464 -1.928 -8.686 0.80 0.00 C ATOM 223 N7 DA A 7 3.468 -2.775 -7.685 0.80 0.00 N ATOM 224 C5 DA A 7 4.534 -2.359 -6.900 0.80 0.00 C ATOM 225 C6 DA A 7 5.066 -2.842 -5.693 0.80 0.00 C ATOM 226 N6 DA A 7 4.576 -3.895 -5.035 0.80 0.00 N ATOM 227 N1 DA A 7 6.134 -2.198 -5.175 0.80 0.00 N ATOM 228 C2 DA A 7 6.627 -1.140 -5.833 0.80 0.00 C ATOM 229 N3 DA A 7 6.215 -0.592 -6.973 0.80 0.00 N ATOM 230 C4 DA A 7 5.153 -1.256 -7.461 0.80 0.00 C ATOM 0 H5' DA A 7 1.232 0.348 -10.083 0.80 0.00 H new ATOM 0 H5'' DA A 7 1.059 1.145 -11.634 0.80 0.00 H new ATOM 0 H4' DA A 7 3.188 1.506 -11.774 0.80 0.00 H new ATOM 0 H3' DA A 7 3.481 -1.470 -11.629 0.80 0.00 H new ATOM 0 H2' DA A 7 5.767 -1.307 -10.855 0.80 0.00 H new ATOM 0 H2'' DA A 7 5.915 0.362 -11.366 0.80 0.00 H new ATOM 0 HO3' DA A 7 4.750 -1.005 -13.445 0.80 0.00 H new ATOM 0 H1' DA A 7 5.538 0.697 -9.103 0.80 0.00 H new ATOM 0 H8 DA A 7 2.746 -1.970 -9.492 0.80 0.00 H new ATOM 0 H61 DA A 7 5.008 -4.197 -4.162 0.80 0.00 H new ATOM 0 H62 DA A 7 3.770 -4.398 -5.406 0.80 0.00 H new ATOM 0 H2 DA A 7 7.480 -0.664 -5.372 0.80 0.00 H new TER 243 DA A 7 HETATM 244 C1 TMS B 1 9.368 -4.132 -4.592 0.80 0.00 C HETATM 245 O20 TMS B 1 10.880 0.764 -8.020 0.80 0.00 O HETATM 246 C20 TMS B 1 11.830 1.295 -7.106 0.80 0.00 C HETATM 247 O21 TMS B 1 9.106 -0.162 -9.807 0.80 0.00 O HETATM 248 C21 TMS B 1 8.254 0.945 -9.704 0.80 0.00 C HETATM 249 O22 TMS B 1 7.727 -2.413 -9.338 0.80 0.00 O HETATM 250 C22 TMS B 1 6.965 -3.598 -9.156 0.80 0.00 C HETATM 251 C2 TMS B 1 9.970 -2.987 -4.938 0.80 0.00 C HETATM 252 C3 TMS B 1 9.616 -4.841 -3.315 0.80 0.00 C HETATM 253 C4 TMS B 1 9.730 -2.268 -6.211 0.80 0.00 C HETATM 254 C5 TMS B 1 8.909 -6.023 -3.023 0.80 0.00 C HETATM 255 C6 TMS B 1 10.548 -4.368 -2.371 0.80 0.00 C HETATM 256 C7 TMS B 1 10.442 -1.085 -6.482 0.80 0.00 C HETATM 257 C8 TMS B 1 8.803 -2.735 -7.166 0.80 0.00 C HETATM 258 C9 TMS B 1 9.125 -6.717 -1.818 0.80 0.00 C HETATM 259 C10 TMS B 1 10.764 -5.061 -1.167 0.80 0.00 C HETATM 260 C11 TMS B 1 10.239 -0.378 -7.680 0.80 0.00 C HETATM 261 C12 TMS B 1 8.592 -2.034 -8.369 0.80 0.00 C HETATM 262 C13 TMS B 1 10.059 -6.242 -0.870 0.80 0.00 C HETATM 263 C14 TMS B 1 9.312 -0.852 -8.627 0.80 0.00 C HETATM 264 C15 TMS B 1 10.312 -6.949 0.414 0.80 0.00 C HETATM 265 N1 TMS B 1 11.206 -6.425 1.264 0.80 0.00 N HETATM 266 C16 TMS B 1 11.523 -7.038 2.541 0.80 0.00 C HETATM 267 O1 TMS B 1 9.707 -7.989 0.674 0.80 0.00 O HETATM 268 C17 TMS B 1 12.868 -6.709 3.056 0.80 0.00 C HETATM 269 C18 TMS B 1 12.750 -5.427 3.780 0.80 0.00 C HETATM 270 O2 TMS B 1 13.750 -4.667 3.103 0.80 0.00 O HETATM 0 HLB TMS B 1 12.955 -5.530 4.846 0.80 0.00 H new HETATM 0 HLA TMS B 1 11.758 -4.986 3.687 0.80 0.00 H new HETATM 0 HKB TMS B 1 13.230 -7.495 3.719 0.80 0.00 H new HETATM 0 HKA TMS B 1 13.585 -6.626 2.239 0.80 0.00 H new HETATM 0 HJB TMS B 1 11.439 -8.120 2.442 0.80 0.00 H new HETATM 0 HJA TMS B 1 10.780 -6.727 3.275 0.80 0.00 H new HETATM 0 HGC TMS B 1 11.338 1.518 -6.159 0.80 0.00 H new HETATM 0 HGB TMS B 1 12.622 0.565 -6.940 0.80 0.00 H new HETATM 0 HGA TMS B 1 12.259 2.209 -7.517 0.80 0.00 H new HETATM 0 HFC TMS B 1 7.637 -4.449 -9.042 0.80 0.00 H new HETATM 0 HFB TMS B 1 6.348 -3.500 -8.263 0.80 0.00 H new HETATM 0 HFA TMS B 1 6.324 -3.755 -10.024 0.80 0.00 H new HETATM 0 HE3 TMS B 1 10.684 -2.555 -4.237 0.80 0.00 H new HETATM 0 HE2 TMS B 1 8.654 -4.568 -5.291 0.80 0.00 H new HETATM 0 HD9 TMS B 1 11.490 -4.677 -0.451 0.80 0.00 H new HETATM 0 HD8 TMS B 1 8.566 -7.630 -1.614 0.80 0.00 H new HETATM 0 HC5 TMS B 1 11.108 -3.455 -2.576 0.80 0.00 H new HETATM 0 HC4 TMS B 1 8.184 -6.406 -3.741 0.80 0.00 H new HETATM 0 HB7 TMS B 1 8.243 -3.650 -6.970 0.80 0.00 H new HETATM 0 HB6 TMS B 1 11.161 -0.712 -5.753 0.80 0.00 H new HETATM 0 H1C TMS B 1 7.273 0.618 -9.358 0.80 0.00 H new HETATM 0 H1B TMS B 1 8.670 1.659 -8.993 0.80 0.00 H new HETATM 0 H1A TMS B 1 8.155 1.420 -10.680 0.80 0.00 H new HETATM 0 H1 TMS B 1 11.682 -5.562 1.003 0.80 0.00 H new ATOM 295 P DT B 2 13.766 -3.187 3.235 0.80 0.00 P ATOM 296 OP1 DT B 2 14.777 -2.655 2.286 0.80 0.00 O ATOM 297 OP2 DT B 2 13.870 -2.853 4.679 0.80 0.00 O ATOM 298 O5' DT B 2 12.326 -2.736 2.723 0.80 0.00 O ATOM 299 C5' DT B 2 11.867 -3.078 1.413 0.80 0.00 C ATOM 300 C4' DT B 2 11.887 -1.861 0.518 0.80 0.00 C ATOM 301 O4' DT B 2 11.165 -2.168 -0.699 0.80 0.00 O ATOM 302 C3' DT B 2 11.208 -0.620 1.095 0.80 0.00 C ATOM 303 O3' DT B 2 11.851 0.567 0.614 0.80 0.00 O ATOM 304 C2' DT B 2 9.792 -0.725 0.561 0.80 0.00 C ATOM 305 C1' DT B 2 10.006 -1.353 -0.806 0.80 0.00 C ATOM 306 N1 DT B 2 8.893 -2.207 -1.267 0.80 0.00 N ATOM 307 C2 DT B 2 8.321 -1.927 -2.487 0.80 0.00 C ATOM 308 O2 DT B 2 8.689 -1.010 -3.202 0.80 0.00 O ATOM 309 N3 DT B 2 7.298 -2.763 -2.843 0.80 0.00 N ATOM 310 C4 DT B 2 6.800 -3.826 -2.122 0.80 0.00 C ATOM 311 O4 DT B 2 5.877 -4.494 -2.580 0.80 0.00 O ATOM 312 C5 DT B 2 7.444 -4.064 -0.850 0.80 0.00 C ATOM 313 C7 DT B 2 6.964 -5.195 0.005 0.80 0.00 C ATOM 314 C6 DT B 2 8.448 -3.254 -0.486 0.80 0.00 C ATOM 0 H5' DT B 2 10.856 -3.481 1.468 0.80 0.00 H new ATOM 0 H5'' DT B 2 12.499 -3.859 0.991 0.80 0.00 H new ATOM 0 H4' DT B 2 12.943 -1.634 0.375 0.80 0.00 H new ATOM 0 H3' DT B 2 11.249 -0.566 2.183 0.80 0.00 H new ATOM 0 H2' DT B 2 9.162 -1.345 1.199 0.80 0.00 H new ATOM 0 H2'' DT B 2 9.311 0.251 0.489 0.80 0.00 H new ATOM 0 H1' DT B 2 10.092 -0.544 -1.532 0.80 0.00 H new ATOM 0 H3 DT B 2 6.855 -2.579 -3.743 0.80 0.00 H new ATOM 0 H71 DT B 2 7.794 -5.580 0.598 0.80 0.00 H new ATOM 0 H72 DT B 2 6.177 -4.840 0.670 0.80 0.00 H new ATOM 0 H73 DT B 2 6.572 -5.990 -0.630 0.80 0.00 H new ATOM 0 H6 DT B 2 8.932 -3.429 0.464 0.80 0.00 H new ATOM 327 P DG B 3 11.298 2.012 1.053 0.80 0.00 P ATOM 328 OP1 DG B 3 12.424 2.972 0.925 0.80 0.00 O ATOM 329 OP2 DG B 3 10.596 1.875 2.354 0.80 0.00 O ATOM 330 O5' DG B 3 10.215 2.366 -0.062 0.80 0.00 O ATOM 331 C5' DG B 3 10.604 2.609 -1.416 0.80 0.00 C ATOM 332 C4' DG B 3 9.476 3.264 -2.178 0.80 0.00 C ATOM 333 O4' DG B 3 8.582 2.232 -2.665 0.80 0.00 O ATOM 334 C3' DG B 3 8.607 4.228 -1.362 0.80 0.00 C ATOM 335 O3' DG B 3 8.313 5.399 -2.137 0.80 0.00 O ATOM 336 C2' DG B 3 7.347 3.425 -1.088 0.80 0.00 C ATOM 337 C1' DG B 3 7.249 2.562 -2.326 0.80 0.00 C ATOM 338 N9 DG B 3 6.505 1.319 -2.148 0.80 0.00 N ATOM 339 C8 DG B 3 6.630 0.418 -1.119 0.80 0.00 C ATOM 340 N7 DG B 3 5.823 -0.602 -1.226 0.80 0.00 N ATOM 341 C5 DG B 3 5.121 -0.359 -2.399 0.80 0.00 C ATOM 342 C6 DG B 3 4.104 -1.117 -3.035 0.80 0.00 C ATOM 343 O6 DG B 3 3.605 -2.190 -2.678 0.80 0.00 O ATOM 344 N1 DG B 3 3.666 -0.505 -4.204 0.80 0.00 N ATOM 345 C2 DG B 3 4.146 0.682 -4.701 0.80 0.00 C ATOM 346 N2 DG B 3 3.599 1.108 -5.844 0.80 0.00 N ATOM 347 N3 DG B 3 5.093 1.397 -4.120 0.80 0.00 N ATOM 348 C4 DG B 3 5.531 0.822 -2.981 0.80 0.00 C ATOM 0 H5' DG B 3 10.879 1.670 -1.896 0.80 0.00 H new ATOM 0 H5'' DG B 3 11.486 3.249 -1.438 0.80 0.00 H new ATOM 0 H4' DG B 3 9.965 3.842 -2.962 0.80 0.00 H new ATOM 0 H3' DG B 3 9.086 4.578 -0.448 0.80 0.00 H new ATOM 0 H2' DG B 3 7.433 2.828 -0.180 0.80 0.00 H new ATOM 0 H2'' DG B 3 6.473 4.065 -0.967 0.80 0.00 H new ATOM 0 H1' DG B 3 6.708 3.122 -3.089 0.80 0.00 H new ATOM 0 H8 DG B 3 7.327 0.541 -0.303 0.80 0.00 H new ATOM 0 H1 DG B 3 2.931 -0.974 -4.734 0.80 0.00 H new ATOM 0 H21 DG B 3 3.912 1.983 -6.264 0.80 0.00 H new ATOM 0 H22 DG B 3 2.868 0.558 -6.296 0.80 0.00 H new ATOM 360 P DC B 4 7.286 6.503 -1.573 0.80 0.00 P ATOM 361 OP1 DC B 4 7.843 7.844 -1.880 0.80 0.00 O ATOM 362 OP2 DC B 4 6.954 6.153 -0.167 0.80 0.00 O ATOM 363 O5' DC B 4 5.976 6.294 -2.456 0.80 0.00 O ATOM 364 C5' DC B 4 5.962 6.641 -3.843 0.80 0.00 C ATOM 365 C4' DC B 4 4.569 6.488 -4.409 0.80 0.00 C ATOM 366 O4' DC B 4 4.136 5.118 -4.220 0.80 0.00 O ATOM 367 C3' DC B 4 3.496 7.360 -3.753 0.80 0.00 C ATOM 368 O3' DC B 4 2.550 7.798 -4.737 0.80 0.00 O ATOM 369 C2' DC B 4 2.848 6.420 -2.753 0.80 0.00 C ATOM 370 C1' DC B 4 2.937 5.084 -3.464 0.80 0.00 C ATOM 371 N1 DC B 4 2.998 3.915 -2.571 0.80 0.00 N ATOM 372 C2 DC B 4 2.123 2.849 -2.794 0.80 0.00 C ATOM 373 O2 DC B 4 1.322 2.918 -3.738 0.80 0.00 O ATOM 374 N3 DC B 4 2.170 1.773 -1.978 0.80 0.00 N ATOM 375 C4 DC B 4 3.047 1.736 -0.974 0.80 0.00 C ATOM 376 N4 DC B 4 3.060 0.652 -0.197 0.80 0.00 N ATOM 377 C5 DC B 4 3.953 2.808 -0.723 0.80 0.00 C ATOM 378 C6 DC B 4 3.894 3.867 -1.540 0.80 0.00 C ATOM 0 H5' DC B 4 6.656 6.004 -4.391 0.80 0.00 H new ATOM 0 H5'' DC B 4 6.303 7.668 -3.971 0.80 0.00 H new ATOM 0 H4' DC B 4 4.656 6.794 -5.451 0.80 0.00 H new ATOM 0 H3' DC B 4 3.890 8.263 -3.287 0.80 0.00 H new ATOM 0 H2' DC B 4 3.378 6.410 -1.801 0.80 0.00 H new ATOM 0 H2'' DC B 4 1.816 6.700 -2.541 0.80 0.00 H new ATOM 0 H1' DC B 4 2.031 4.962 -4.057 0.80 0.00 H new ATOM 0 H41 DC B 4 3.718 0.589 0.580 0.80 0.00 H new ATOM 0 H42 DC B 4 2.412 -0.114 -0.380 0.80 0.00 H new ATOM 0 H5 DC B 4 4.659 2.767 0.094 0.80 0.00 H new ATOM 0 H6 DC B 4 4.566 4.698 -1.382 0.80 0.00 H new ATOM 390 P DG B 5 1.251 8.636 -4.287 0.80 0.00 P ATOM 391 OP1 DG B 5 0.977 9.628 -5.357 0.80 0.00 O ATOM 392 OP2 DG B 5 1.440 9.101 -2.889 0.80 0.00 O ATOM 393 O5' DG B 5 0.075 7.560 -4.300 0.80 0.00 O ATOM 394 C5' DG B 5 -0.112 6.689 -5.418 0.80 0.00 C ATOM 395 C4' DG B 5 -1.475 6.037 -5.357 0.80 0.00 C ATOM 396 O4' DG B 5 -1.372 4.808 -4.595 0.80 0.00 O ATOM 397 C3' DG B 5 -2.569 6.864 -4.677 0.80 0.00 C ATOM 398 O3' DG B 5 -3.808 6.708 -5.383 0.80 0.00 O ATOM 399 C2' DG B 5 -2.650 6.262 -3.285 0.80 0.00 C ATOM 400 C1' DG B 5 -2.332 4.806 -3.554 0.80 0.00 C ATOM 401 N9 DG B 5 -1.765 4.086 -2.418 0.80 0.00 N ATOM 402 C8 DG B 5 -0.694 4.465 -1.647 0.80 0.00 C ATOM 403 N7 DG B 5 -0.417 3.615 -0.696 0.80 0.00 N ATOM 404 C5 DG B 5 -1.365 2.612 -0.849 0.80 0.00 C ATOM 405 C6 DG B 5 -1.569 1.420 -0.108 0.80 0.00 C ATOM 406 O6 DG B 5 -0.933 0.997 0.864 0.80 0.00 O ATOM 407 N1 DG B 5 -2.643 0.687 -0.603 0.80 0.00 N ATOM 408 C2 DG B 5 -3.421 1.055 -1.672 0.80 0.00 C ATOM 409 N2 DG B 5 -4.412 0.218 -1.998 0.80 0.00 N ATOM 410 N3 DG B 5 -3.242 2.161 -2.371 0.80 0.00 N ATOM 411 C4 DG B 5 -2.204 2.888 -1.908 0.80 0.00 C ATOM 0 H5' DG B 5 0.664 5.924 -5.424 0.80 0.00 H new ATOM 0 H5'' DG B 5 -0.012 7.252 -6.346 0.80 0.00 H new ATOM 0 H4' DG B 5 -1.764 5.898 -6.399 0.80 0.00 H new ATOM 0 H3' DG B 5 -2.362 7.934 -4.657 0.80 0.00 H new ATOM 0 H2' DG B 5 -1.933 6.717 -2.601 0.80 0.00 H new ATOM 0 H2'' DG B 5 -3.638 6.389 -2.842 0.80 0.00 H new ATOM 0 H1' DG B 5 -3.264 4.295 -3.794 0.80 0.00 H new ATOM 0 H8 DG B 5 -0.137 5.375 -1.811 0.80 0.00 H new ATOM 0 H1 DG B 5 -2.869 -0.191 -0.136 0.80 0.00 H new ATOM 0 H21 DG B 5 -5.026 0.435 -2.783 0.80 0.00 H new ATOM 0 H22 DG B 5 -4.554 -0.638 -1.461 0.80 0.00 H new ATOM 423 P DC B 6 -5.152 7.385 -4.812 0.80 0.00 P ATOM 424 OP1 DC B 6 -5.859 8.026 -5.949 0.80 0.00 O ATOM 425 OP2 DC B 6 -4.795 8.198 -3.621 0.80 0.00 O ATOM 426 O5' DC B 6 -6.025 6.144 -4.323 0.80 0.00 O ATOM 427 C5' DC B 6 -6.481 5.156 -5.250 0.80 0.00 C ATOM 428 C4' DC B 6 -7.403 4.176 -4.564 0.80 0.00 C ATOM 429 O4' DC B 6 -6.660 3.471 -3.540 0.80 0.00 O ATOM 430 C3' DC B 6 -8.608 4.797 -3.856 0.80 0.00 C ATOM 431 O3' DC B 6 -9.749 3.940 -3.982 0.80 0.00 O ATOM 432 C2' DC B 6 -8.156 4.893 -2.410 0.80 0.00 C ATOM 433 C1' DC B 6 -7.238 3.692 -2.264 0.80 0.00 C ATOM 434 N1 DC B 6 -6.142 3.877 -1.299 0.80 0.00 N ATOM 435 C2 DC B 6 -5.946 2.916 -0.305 0.80 0.00 C ATOM 436 O2 DC B 6 -6.703 1.935 -0.260 0.80 0.00 O ATOM 437 N3 DC B 6 -4.938 3.079 0.582 0.80 0.00 N ATOM 438 C4 DC B 6 -4.145 4.148 0.501 0.80 0.00 C ATOM 439 N4 DC B 6 -3.163 4.266 1.394 0.80 0.00 N ATOM 440 C5 DC B 6 -4.324 5.146 -0.501 0.80 0.00 C ATOM 441 C6 DC B 6 -5.326 4.971 -1.372 0.80 0.00 C ATOM 0 H5' DC B 6 -5.629 4.626 -5.675 0.80 0.00 H new ATOM 0 H5'' DC B 6 -7.002 5.638 -6.077 0.80 0.00 H new ATOM 0 H4' DC B 6 -7.779 3.540 -5.365 0.80 0.00 H new ATOM 0 H3' DC B 6 -8.904 5.762 -4.268 0.80 0.00 H new ATOM 0 H2' DC B 6 -7.633 5.828 -2.211 0.80 0.00 H new ATOM 0 H2'' DC B 6 -8.998 4.845 -1.719 0.80 0.00 H new ATOM 0 H1' DC B 6 -7.837 2.861 -1.892 0.80 0.00 H new ATOM 0 H41 DC B 6 -2.538 5.071 1.361 0.80 0.00 H new ATOM 0 H42 DC B 6 -3.037 3.551 2.110 0.80 0.00 H new ATOM 0 H5 DC B 6 -3.677 6.009 -0.556 0.80 0.00 H new ATOM 0 H6 DC B 6 -5.492 5.707 -2.145 0.80 0.00 H new ATOM 453 P DA B 7 -11.157 4.382 -3.342 0.80 0.00 P ATOM 454 OP1 DA B 7 -12.229 3.793 -4.184 0.80 0.00 O ATOM 455 OP2 DA B 7 -11.134 5.848 -3.105 0.80 0.00 O ATOM 456 O5' DA B 7 -11.183 3.650 -1.928 0.80 0.00 O ATOM 457 C5' DA B 7 -10.944 2.245 -1.822 0.80 0.00 C ATOM 458 C4' DA B 7 -11.529 1.708 -0.536 0.80 0.00 C ATOM 459 O4' DA B 7 -10.469 1.094 0.234 0.80 0.00 O ATOM 460 C3' DA B 7 -12.151 2.756 0.386 0.80 0.00 C ATOM 461 O3' DA B 7 -13.555 2.874 0.149 0.80 0.00 O ATOM 462 C2' DA B 7 -11.893 2.189 1.768 0.80 0.00 C ATOM 463 C1' DA B 7 -10.554 1.489 1.597 0.80 0.00 C ATOM 464 N9 DA B 7 -9.391 2.325 1.895 0.80 0.00 N ATOM 465 C8 DA B 7 -8.938 3.425 1.207 0.80 0.00 C ATOM 466 N7 DA B 7 -7.863 3.967 1.726 0.80 0.00 N ATOM 467 C5 DA B 7 -7.588 3.170 2.829 0.80 0.00 C ATOM 468 C6 DA B 7 -6.573 3.215 3.800 0.80 0.00 C ATOM 469 N6 DA B 7 -5.605 4.132 3.818 0.80 0.00 N ATOM 470 N1 DA B 7 -6.586 2.271 4.766 0.80 0.00 N ATOM 471 C2 DA B 7 -7.557 1.349 4.749 0.80 0.00 C ATOM 472 N3 DA B 7 -8.564 1.202 3.891 0.80 0.00 N ATOM 473 C4 DA B 7 -8.522 2.155 2.945 0.80 0.00 C ATOM 0 H5' DA B 7 -9.872 2.048 -1.852 0.80 0.00 H new ATOM 0 H5'' DA B 7 -11.386 1.729 -2.674 0.80 0.00 H new ATOM 0 H4' DA B 7 -12.318 1.025 -0.851 0.80 0.00 H new ATOM 0 H3' DA B 7 -11.737 3.754 0.241 0.80 0.00 H new ATOM 0 H2' DA B 7 -11.847 2.972 2.525 0.80 0.00 H new ATOM 0 H2'' DA B 7 -12.676 1.496 2.074 0.80 0.00 H new ATOM 0 HO3' DA B 7 -13.933 3.549 0.751 0.80 0.00 H new ATOM 0 H1' DA B 7 -10.526 0.660 2.304 0.80 0.00 H new ATOM 0 H8 DA B 7 -9.423 3.808 0.321 0.80 0.00 H new ATOM 0 H61 DA B 7 -4.896 4.111 4.551 0.80 0.00 H new ATOM 0 H62 DA B 7 -5.574 4.855 3.099 0.80 0.00 H new ATOM 0 H2 DA B 7 -7.517 0.620 5.545 0.80 0.00 H new TER 486 DA B 7