USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 151 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 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 1.374 -7.138 16.457 1.00 0.00 N ATOM 21 CA ALA A 2 2.013 -7.264 15.154 1.00 0.00 C ATOM 22 C ALA A 2 1.184 -8.141 14.217 1.00 0.00 C ATOM 23 O ALA A 2 1.688 -9.111 13.652 1.00 0.00 O ATOM 24 CB ALA A 2 3.417 -7.829 15.310 1.00 0.00 C ATOM 0 HA ALA A 2 2.081 -6.271 14.710 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.884 -7.918 14.329 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.010 -7.162 15.935 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.364 -8.812 15.778 1.00 0.00 H new ATOM 30 N PRO A 3 -0.107 -7.808 14.041 1.00 0.00 N ATOM 31 CA PRO A 3 -1.006 -8.569 13.168 1.00 0.00 C ATOM 32 C PRO A 3 -0.647 -8.417 11.695 1.00 0.00 C ATOM 33 O PRO A 3 -0.025 -7.429 11.293 1.00 0.00 O ATOM 34 CB PRO A 3 -2.380 -7.954 13.448 1.00 0.00 C ATOM 35 CG PRO A 3 -2.088 -6.575 13.927 1.00 0.00 C ATOM 36 CD PRO A 3 -0.789 -6.665 14.677 1.00 0.00 C ATOM 0 HA PRO A 3 -0.955 -9.640 13.366 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -2.997 -7.938 12.550 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.924 -8.527 14.199 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.009 -5.880 13.091 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.887 -6.208 14.572 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.207 -5.748 14.585 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.950 -6.835 15.742 1.00 0.00 H new ATOM 44 N ARG A 4 -1.044 -9.398 10.887 1.00 0.00 N ATOM 45 CA ARG A 4 -0.760 -9.363 9.459 1.00 0.00 C ATOM 46 C ARG A 4 -1.767 -8.512 8.710 1.00 0.00 C ATOM 47 O ARG A 4 -1.724 -8.391 7.486 1.00 0.00 O ATOM 48 CB ARG A 4 -0.737 -10.777 8.898 1.00 0.00 C ATOM 49 CG ARG A 4 0.245 -10.969 7.752 1.00 0.00 C ATOM 50 CD ARG A 4 -0.466 -11.359 6.466 1.00 0.00 C ATOM 51 NE ARG A 4 0.468 -11.836 5.448 1.00 0.00 N ATOM 52 CZ ARG A 4 1.002 -13.055 5.445 1.00 0.00 C ATOM 53 NH1 ARG A 4 0.696 -13.923 6.401 1.00 0.00 N ATOM 54 NH2 ARG A 4 1.845 -13.406 4.483 1.00 0.00 N ATOM 0 H ARG A 4 -1.560 -10.221 11.197 1.00 0.00 H new ATOM 0 HA ARG A 4 0.221 -8.907 9.322 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.485 -11.471 9.700 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.738 -11.037 8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.805 -10.047 7.594 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.968 -11.740 8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.199 -12.137 6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.015 -10.500 6.080 1.00 0.00 H new ATOM 0 HE ARG A 4 0.726 -11.197 4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 4 0.049 -13.657 7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.108 -14.856 6.394 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.083 -12.742 3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 4 2.255 -14.340 4.480 1.00 0.00 H new ATOM 68 N GLY A 5 -2.659 -7.900 9.482 1.00 0.00 N ATOM 69 CA GLY A 5 -3.670 -7.032 8.922 1.00 0.00 C ATOM 70 C GLY A 5 -3.084 -5.697 8.526 1.00 0.00 C ATOM 71 O GLY A 5 -3.337 -5.192 7.432 1.00 0.00 O ATOM 0 H GLY A 5 -2.696 -7.994 10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.120 -7.508 8.051 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.467 -6.881 9.650 1.00 0.00 H new ATOM 75 N PHE A 6 -2.276 -5.142 9.420 1.00 0.00 N ATOM 76 CA PHE A 6 -1.616 -3.872 9.171 1.00 0.00 C ATOM 77 C PHE A 6 -0.246 -4.117 8.553 1.00 0.00 C ATOM 78 O PHE A 6 0.233 -3.325 7.741 1.00 0.00 O ATOM 79 CB PHE A 6 -1.472 -3.077 10.470 1.00 0.00 C ATOM 80 CG PHE A 6 -0.830 -1.730 10.285 1.00 0.00 C ATOM 81 CD1 PHE A 6 -1.095 -0.968 9.156 1.00 0.00 C ATOM 82 CD2 PHE A 6 0.037 -1.225 11.240 1.00 0.00 C ATOM 83 CE1 PHE A 6 -0.505 0.271 8.985 1.00 0.00 C ATOM 84 CE2 PHE A 6 0.630 0.013 11.074 1.00 0.00 C ATOM 85 CZ PHE A 6 0.357 0.761 9.946 1.00 0.00 C ATOM 0 H PHE A 6 -2.063 -5.556 10.328 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.224 -3.291 8.478 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.458 -2.942 10.914 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.880 -3.658 11.178 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.770 -1.347 8.402 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.252 -1.805 12.125 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.718 0.854 8.101 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.306 0.394 11.825 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.818 1.729 9.815 1.00 0.00 H new ATOM 95 N SER A 7 0.376 -5.231 8.936 1.00 0.00 N ATOM 96 CA SER A 7 1.685 -5.591 8.411 1.00 0.00 C ATOM 97 C SER A 7 1.600 -5.870 6.915 1.00 0.00 C ATOM 98 O SER A 7 2.536 -5.586 6.166 1.00 0.00 O ATOM 99 CB SER A 7 2.232 -6.820 9.141 1.00 0.00 C ATOM 100 OG SER A 7 3.609 -7.006 8.867 1.00 0.00 O ATOM 0 H SER A 7 -0.008 -5.897 9.607 1.00 0.00 H new ATOM 0 HA SER A 7 2.363 -4.753 8.574 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.084 -6.704 10.215 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.675 -7.706 8.836 1.00 0.00 H new ATOM 0 HG SER A 7 3.934 -7.796 9.346 1.00 0.00 H new ATOM 106 N CYS A 8 0.470 -6.424 6.483 1.00 0.00 N ATOM 107 CA CYS A 8 0.261 -6.736 5.075 1.00 0.00 C ATOM 108 C CYS A 8 -0.408 -5.570 4.351 1.00 0.00 C ATOM 109 O CYS A 8 -0.069 -5.258 3.210 1.00 0.00 O ATOM 110 CB CYS A 8 -0.595 -7.995 4.929 1.00 0.00 C ATOM 111 SG CYS A 8 -0.871 -8.503 3.216 1.00 0.00 S ATOM 0 H CYS A 8 -0.314 -6.665 7.089 1.00 0.00 H new ATOM 0 HA CYS A 8 1.237 -6.913 4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.115 -8.813 5.467 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.560 -7.823 5.406 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.603 -9.577 3.194 1.00 0.00 H new ATOM 117 N LEU A 9 -1.363 -4.934 5.023 1.00 0.00 N ATOM 118 CA LEU A 9 -2.084 -3.806 4.444 1.00 0.00 C ATOM 119 C LEU A 9 -1.143 -2.639 4.158 1.00 0.00 C ATOM 120 O LEU A 9 -1.349 -1.884 3.207 1.00 0.00 O ATOM 121 CB LEU A 9 -3.204 -3.353 5.384 1.00 0.00 C ATOM 122 CG LEU A 9 -3.995 -2.131 4.912 1.00 0.00 C ATOM 123 CD1 LEU A 9 -5.125 -2.552 3.986 1.00 0.00 C ATOM 124 CD2 LEU A 9 -4.539 -1.358 6.104 1.00 0.00 C ATOM 0 H LEU A 9 -1.655 -5.181 5.969 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.519 -4.135 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.897 -4.183 5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.771 -3.131 6.359 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.323 -1.478 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.676 -1.670 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.712 -3.063 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.798 -3.225 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.099 -0.492 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.197 -2.003 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.711 -1.024 6.730 1.00 0.00 H new ATOM 136 N LEU A 10 -0.114 -2.494 4.984 1.00 0.00 N ATOM 137 CA LEU A 10 0.854 -1.414 4.816 1.00 0.00 C ATOM 138 C LEU A 10 1.517 -1.486 3.444 1.00 0.00 C ATOM 139 O LEU A 10 1.900 -0.463 2.875 1.00 0.00 O ATOM 140 CB LEU A 10 1.916 -1.474 5.917 1.00 0.00 C ATOM 141 CG LEU A 10 2.904 -2.636 5.806 1.00 0.00 C ATOM 142 CD1 LEU A 10 4.039 -2.282 4.857 1.00 0.00 C ATOM 143 CD2 LEU A 10 3.449 -3.004 7.177 1.00 0.00 C ATOM 0 H LEU A 10 0.073 -3.109 5.776 1.00 0.00 H new ATOM 0 HA LEU A 10 0.320 -0.467 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.477 -0.539 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.413 -1.537 6.882 1.00 0.00 H new ATOM 0 HG LEU A 10 2.376 -3.500 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.732 -3.120 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.633 -2.067 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.566 -1.404 5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.150 -3.833 7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.961 -2.144 7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.626 -3.300 7.828 1.00 0.00 H new ATOM 155 N LEU A 11 1.650 -2.698 2.918 1.00 0.00 N ATOM 156 CA LEU A 11 2.268 -2.902 1.613 1.00 0.00 C ATOM 157 C LEU A 11 1.348 -2.420 0.495 1.00 0.00 C ATOM 158 O LEU A 11 1.812 -1.981 -0.558 1.00 0.00 O ATOM 159 CB LEU A 11 2.605 -4.380 1.410 1.00 0.00 C ATOM 160 CG LEU A 11 3.885 -4.649 0.616 1.00 0.00 C ATOM 161 CD1 LEU A 11 5.111 -4.413 1.484 1.00 0.00 C ATOM 162 CD2 LEU A 11 3.882 -6.067 0.067 1.00 0.00 C ATOM 0 H LEU A 11 1.338 -3.555 3.375 1.00 0.00 H new ATOM 0 HA LEU A 11 3.188 -2.319 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.695 -4.854 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.771 -4.860 0.899 1.00 0.00 H new ATOM 0 HG LEU A 11 3.922 -3.956 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.012 -4.609 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.119 -3.379 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.082 -5.082 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.799 -6.242 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.821 -6.777 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.023 -6.201 -0.590 1.00 0.00 H new ATOM 174 N LEU A 12 0.043 -2.507 0.729 1.00 0.00 N ATOM 175 CA LEU A 12 -0.942 -2.080 -0.258 1.00 0.00 C ATOM 176 C LEU A 12 -0.912 -0.565 -0.439 1.00 0.00 C ATOM 177 O LEU A 12 -1.231 -0.051 -1.511 1.00 0.00 O ATOM 178 CB LEU A 12 -2.343 -2.528 0.160 1.00 0.00 C ATOM 179 CG LEU A 12 -2.697 -3.971 -0.206 1.00 0.00 C ATOM 180 CD1 LEU A 12 -2.120 -4.938 0.816 1.00 0.00 C ATOM 181 CD2 LEU A 12 -4.206 -4.140 -0.308 1.00 0.00 C ATOM 0 H LEU A 12 -0.357 -2.870 1.594 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.689 -2.546 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.439 -2.409 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.073 -1.863 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.259 -4.197 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.382 -5.959 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.035 -4.836 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.529 -4.713 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.440 -5.172 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.665 -3.895 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.595 -3.474 -1.078 1.00 0.00 H new ATOM 193 N THR A 13 -0.529 0.146 0.618 1.00 0.00 N ATOM 194 CA THR A 13 -0.459 1.604 0.574 1.00 0.00 C ATOM 195 C THR A 13 0.439 2.075 -0.567 1.00 0.00 C ATOM 196 O THR A 13 0.242 3.160 -1.115 1.00 0.00 O ATOM 197 CB THR A 13 0.061 2.150 1.905 1.00 0.00 C ATOM 198 OG1 THR A 13 -0.756 1.698 2.992 1.00 0.00 O ATOM 199 CG2 THR A 13 0.072 3.663 1.889 1.00 0.00 C ATOM 0 H THR A 13 -0.263 -0.263 1.514 1.00 0.00 H new ATOM 0 HA THR A 13 -1.465 1.985 0.399 1.00 0.00 H new ATOM 0 HB THR A 13 1.077 1.781 2.042 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.407 2.056 3.835 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.445 4.034 2.844 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.720 4.014 1.085 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.940 4.033 1.726 1.00 0.00 H new ATOM 207 N SER A 14 1.422 1.255 -0.918 1.00 0.00 N ATOM 208 CA SER A 14 2.349 1.588 -1.994 1.00 0.00 C ATOM 209 C SER A 14 1.954 0.885 -3.290 1.00 0.00 C ATOM 210 O SER A 14 2.042 1.464 -4.373 1.00 0.00 O ATOM 211 CB SER A 14 3.776 1.202 -1.604 1.00 0.00 C ATOM 212 OG SER A 14 4.627 1.179 -2.738 1.00 0.00 O ATOM 0 H SER A 14 1.598 0.354 -0.473 1.00 0.00 H new ATOM 0 HA SER A 14 2.304 2.665 -2.158 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.161 1.912 -0.871 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.773 0.222 -1.128 1.00 0.00 H new ATOM 0 HG SER A 14 5.534 0.931 -2.461 1.00 0.00 H new ATOM 218 N GLU A 15 1.522 -0.366 -3.170 1.00 0.00 N ATOM 219 CA GLU A 15 1.115 -1.150 -4.331 1.00 0.00 C ATOM 220 C GLU A 15 -0.076 -0.506 -5.035 1.00 0.00 C ATOM 221 O GLU A 15 -0.101 -0.399 -6.261 1.00 0.00 O ATOM 222 CB GLU A 15 0.762 -2.577 -3.909 1.00 0.00 C ATOM 223 CG GLU A 15 1.947 -3.528 -3.929 1.00 0.00 C ATOM 224 CD GLU A 15 2.024 -4.339 -5.208 1.00 0.00 C ATOM 225 OE1 GLU A 15 2.395 -3.764 -6.253 1.00 0.00 O ATOM 226 OE2 GLU A 15 1.711 -5.547 -5.165 1.00 0.00 O ATOM 0 H GLU A 15 1.445 -0.859 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 15 1.952 -1.180 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.341 -2.556 -2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.013 -2.962 -4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.868 -2.957 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.879 -4.205 -3.078 1.00 0.00 H new ATOM 233 N ILE A 16 -1.062 -0.081 -4.253 1.00 0.00 N ATOM 234 CA ILE A 16 -2.256 0.549 -4.802 1.00 0.00 C ATOM 235 C ILE A 16 -1.974 1.983 -5.243 1.00 0.00 C ATOM 236 O ILE A 16 -2.666 2.524 -6.105 1.00 0.00 O ATOM 237 CB ILE A 16 -3.409 0.556 -3.779 1.00 0.00 C ATOM 238 CG1 ILE A 16 -3.621 -0.847 -3.207 1.00 0.00 C ATOM 239 CG2 ILE A 16 -4.690 1.069 -4.424 1.00 0.00 C ATOM 240 CD1 ILE A 16 -4.714 -0.915 -2.163 1.00 0.00 C ATOM 0 H ILE A 16 -1.058 -0.162 -3.236 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.551 -0.041 -5.669 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.144 1.226 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.864 -1.530 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.687 -1.196 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.494 1.067 -3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.533 2.085 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.961 0.423 -5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.809 -1.939 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.463 -0.258 -1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -5.659 -0.597 -2.604 1.00 0.00 H new ATOM 252 N ASP A 17 -0.955 2.595 -4.646 1.00 0.00 N ATOM 253 CA ASP A 17 -0.588 3.966 -4.979 1.00 0.00 C ATOM 254 C ASP A 17 0.569 3.999 -5.969 1.00 0.00 C ATOM 255 O ASP A 17 1.332 4.964 -6.019 1.00 0.00 O ATOM 256 CB ASP A 17 -0.212 4.726 -3.711 1.00 0.00 C ATOM 257 CG ASP A 17 -0.672 6.169 -3.741 1.00 0.00 C ATOM 258 OD1 ASP A 17 -1.850 6.423 -3.415 1.00 0.00 O ATOM 259 OD2 ASP A 17 0.146 7.047 -4.090 1.00 0.00 O ATOM 0 H ASP A 17 -0.370 2.163 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.448 4.446 -5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.651 4.226 -2.848 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.870 4.696 -3.580 1.00 0.00 H new ATOM 264 N LEU A 18 0.688 2.940 -6.752 1.00 0.00 N ATOM 265 CA LEU A 18 1.749 2.836 -7.748 1.00 0.00 C ATOM 266 C LEU A 18 1.353 3.543 -9.044 1.00 0.00 C ATOM 267 O LEU A 18 2.053 4.446 -9.504 1.00 0.00 O ATOM 268 CB LEU A 18 2.075 1.366 -8.027 1.00 0.00 C ATOM 269 CG LEU A 18 3.536 0.973 -7.799 1.00 0.00 C ATOM 270 CD1 LEU A 18 4.451 1.753 -8.730 1.00 0.00 C ATOM 271 CD2 LEU A 18 3.929 1.205 -6.348 1.00 0.00 C ATOM 0 H LEU A 18 0.062 2.135 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 18 2.637 3.325 -7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.444 0.743 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.811 1.141 -9.060 1.00 0.00 H new ATOM 0 HG LEU A 18 3.645 -0.089 -8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.486 1.460 -8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.185 1.539 -9.765 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.339 2.820 -8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.971 0.920 -6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.803 2.259 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.295 0.602 -5.698 1.00 0.00 H new ATOM 283 N PRO A 19 0.224 3.140 -9.653 1.00 0.00 N ATOM 284 CA PRO A 19 -0.254 3.740 -10.899 1.00 0.00 C ATOM 285 C PRO A 19 -0.946 5.080 -10.672 1.00 0.00 C ATOM 286 O PRO A 19 -0.611 6.079 -11.308 1.00 0.00 O ATOM 287 CB PRO A 19 -1.247 2.707 -11.427 1.00 0.00 C ATOM 288 CG PRO A 19 -1.762 2.004 -10.217 1.00 0.00 C ATOM 289 CD PRO A 19 -0.672 2.068 -9.175 1.00 0.00 C ATOM 0 HA PRO A 19 0.563 3.958 -11.587 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.056 3.185 -11.979 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.763 2.010 -12.111 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.673 2.479 -9.853 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.014 0.969 -10.449 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.077 2.297 -8.189 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.146 1.117 -9.090 1.00 0.00 H new ATOM 297 N VAL A 20 -1.915 5.090 -9.764 1.00 0.00 N ATOM 298 CA VAL A 20 -2.662 6.303 -9.450 1.00 0.00 C ATOM 299 C VAL A 20 -1.727 7.454 -9.081 1.00 0.00 C ATOM 300 O VAL A 20 -2.087 8.625 -9.215 1.00 0.00 O ATOM 301 CB VAL A 20 -3.653 6.067 -8.292 1.00 0.00 C ATOM 302 CG1 VAL A 20 -2.914 5.684 -7.020 1.00 0.00 C ATOM 303 CG2 VAL A 20 -4.518 7.298 -8.067 1.00 0.00 C ATOM 0 H VAL A 20 -2.203 4.269 -9.231 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.219 6.570 -10.348 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.306 5.238 -8.565 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.632 5.522 -6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.348 4.768 -7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.231 6.486 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.210 7.111 -7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.883 8.149 -7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.081 7.517 -8.974 1.00 0.00 H new