USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 150 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 27:sc= 0.00239 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.192 0.597 -1.123 1.00 0.00 N ATOM 2 CA MET A 1 -13.169 1.683 -1.084 1.00 0.00 C ATOM 3 C MET A 1 -11.728 1.145 -1.313 1.00 0.00 C ATOM 4 O MET A 1 -11.388 0.016 -0.831 1.00 0.00 O ATOM 5 CB MET A 1 -13.275 2.405 0.287 1.00 0.00 C ATOM 6 CG MET A 1 -13.210 3.940 0.232 1.00 0.00 C ATOM 7 SD MET A 1 -14.541 4.728 1.166 1.00 0.00 S ATOM 8 CE MET A 1 -13.697 5.143 2.693 1.00 0.00 C ATOM 0 H1 MET A 1 -15.136 1.004 -0.966 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.167 0.130 -2.052 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.987 -0.100 -0.379 1.00 0.00 H new ATOM 0 HA MET A 1 -13.367 2.381 -1.897 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.214 2.115 0.759 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.471 2.047 0.930 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.249 4.273 0.625 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.259 4.265 -0.807 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.393 5.637 3.371 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.320 4.233 3.160 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.864 5.812 2.478 1.00 0.00 H new ATOM 20 N GLN A 2 -10.904 2.004 -2.043 1.00 0.00 N ATOM 21 CA GLN A 2 -9.476 1.752 -2.382 1.00 0.00 C ATOM 22 C GLN A 2 -8.602 2.966 -1.966 1.00 0.00 C ATOM 23 O GLN A 2 -8.940 4.148 -2.305 1.00 0.00 O ATOM 24 CB GLN A 2 -9.295 1.405 -3.885 1.00 0.00 C ATOM 25 CG GLN A 2 -9.383 -0.088 -4.202 1.00 0.00 C ATOM 26 CD GLN A 2 -9.659 -0.382 -5.678 1.00 0.00 C ATOM 27 OE1 GLN A 2 -10.817 -0.464 -6.099 1.00 0.00 O ATOM 28 NE2 GLN A 2 -8.599 -0.558 -6.482 1.00 0.00 N ATOM 0 H GLN A 2 -11.241 2.896 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.142 0.882 -1.817 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -10.055 1.932 -4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.327 1.779 -4.218 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.449 -0.569 -3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.172 -0.534 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.654 -0.484 -6.104 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.738 -0.766 -7.471 1.00 0.00 H new ATOM 37 N ILE A 3 -7.489 2.628 -1.202 1.00 0.00 N ATOM 38 CA ILE A 3 -6.464 3.586 -0.644 1.00 0.00 C ATOM 39 C ILE A 3 -5.081 2.881 -0.605 1.00 0.00 C ATOM 40 O ILE A 3 -4.949 1.801 0.042 1.00 0.00 O ATOM 41 CB ILE A 3 -6.837 4.295 0.764 1.00 0.00 C ATOM 42 CG1 ILE A 3 -7.523 3.343 1.840 1.00 0.00 C ATOM 43 CG2 ILE A 3 -7.716 5.529 0.495 1.00 0.00 C ATOM 44 CD1 ILE A 3 -6.749 3.177 3.137 1.00 0.00 C ATOM 0 H ILE A 3 -7.284 1.659 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.440 4.434 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.888 4.582 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.512 3.737 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.668 2.360 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.969 6.009 1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.172 6.233 -0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.631 5.221 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.296 2.512 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.769 2.751 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.626 4.149 3.614 1.00 0.00 H new ATOM 56 N PHE A 4 -4.101 3.503 -1.370 1.00 0.00 N ATOM 57 CA PHE A 4 -2.694 3.015 -1.564 1.00 0.00 C ATOM 58 C PHE A 4 -1.700 3.570 -0.509 1.00 0.00 C ATOM 59 O PHE A 4 -1.839 4.754 -0.075 1.00 0.00 O ATOM 60 CB PHE A 4 -2.226 3.384 -3.013 1.00 0.00 C ATOM 61 CG PHE A 4 -2.338 2.301 -4.100 1.00 0.00 C ATOM 62 CD1 PHE A 4 -3.660 2.031 -4.853 1.00 0.00 C ATOM 63 CD2 PHE A 4 -1.104 1.501 -4.506 1.00 0.00 C ATOM 64 CE1 PHE A 4 -3.726 0.999 -5.958 1.00 0.00 C ATOM 65 CE2 PHE A 4 -1.176 0.463 -5.608 1.00 0.00 C ATOM 66 CZ PHE A 4 -2.484 0.214 -6.335 1.00 0.00 C ATOM 0 H PHE A 4 -4.283 4.372 -1.872 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.697 1.934 -1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.802 4.249 -3.341 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.184 3.698 -2.959 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.548 2.586 -4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.166 1.677 -4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.656 0.822 -6.477 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.295 -0.100 -5.876 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.531 -0.524 -7.122 1.00 0.00 H new ATOM 76 N VAL A 5 -0.702 2.672 -0.133 1.00 0.00 N ATOM 77 CA VAL A 5 0.409 2.939 0.864 1.00 0.00 C ATOM 78 C VAL A 5 1.732 2.245 0.415 1.00 0.00 C ATOM 79 O VAL A 5 1.696 1.029 0.055 1.00 0.00 O ATOM 80 CB VAL A 5 0.066 2.598 2.405 1.00 0.00 C ATOM 81 CG1 VAL A 5 -0.758 3.720 3.027 1.00 0.00 C ATOM 82 CG2 VAL A 5 -0.647 1.234 2.676 1.00 0.00 C ATOM 0 H VAL A 5 -0.653 1.731 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 5 0.535 4.022 0.853 1.00 0.00 H new ATOM 0 HB VAL A 5 1.047 2.505 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.981 3.475 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.193 4.651 2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.690 3.837 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.823 1.122 3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.600 1.210 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.016 0.418 2.324 1.00 0.00 H new ATOM 92 N LYS A 6 2.862 3.060 0.437 1.00 0.00 N ATOM 93 CA LYS A 6 4.244 2.638 0.039 1.00 0.00 C ATOM 94 C LYS A 6 5.266 2.756 1.211 1.00 0.00 C ATOM 95 O LYS A 6 5.173 3.713 2.037 1.00 0.00 O ATOM 96 CB LYS A 6 4.705 3.464 -1.191 1.00 0.00 C ATOM 97 CG LYS A 6 5.433 2.655 -2.277 1.00 0.00 C ATOM 98 CD LYS A 6 5.559 3.431 -3.595 1.00 0.00 C ATOM 99 CE LYS A 6 6.809 3.040 -4.377 1.00 0.00 C ATOM 100 NZ LYS A 6 6.753 3.509 -5.789 1.00 0.00 N ATOM 0 H LYS A 6 2.820 4.034 0.737 1.00 0.00 H new ATOM 0 HA LYS A 6 4.208 1.582 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.833 3.942 -1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.365 4.261 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.427 2.385 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.895 1.724 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.677 3.248 -4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.584 4.500 -3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.688 3.461 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.924 1.956 -4.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.621 3.223 -6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.929 3.087 -6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.670 4.545 -5.807 1.00 0.00 H new ATOM 114 N THR A 7 6.235 1.754 1.223 1.00 0.00 N ATOM 115 CA THR A 7 7.360 1.611 2.220 1.00 0.00 C ATOM 116 C THR A 7 8.745 1.866 1.552 1.00 0.00 C ATOM 117 O THR A 7 8.941 1.496 0.355 1.00 0.00 O ATOM 118 CB THR A 7 7.382 0.208 2.933 1.00 0.00 C ATOM 119 OG1 THR A 7 7.124 -0.849 2.005 1.00 0.00 O ATOM 120 CG2 THR A 7 6.376 0.129 4.084 1.00 0.00 C ATOM 0 H THR A 7 6.246 1.014 0.521 1.00 0.00 H new ATOM 0 HA THR A 7 7.172 2.368 2.981 1.00 0.00 H new ATOM 0 HB THR A 7 8.384 0.090 3.345 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.402 -0.571 1.107 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.428 -0.857 4.545 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.613 0.890 4.827 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.370 0.298 3.700 1.00 0.00 H new ATOM 128 N LEU A 8 9.688 2.509 2.365 1.00 0.00 N ATOM 129 CA LEU A 8 11.111 2.886 1.967 1.00 0.00 C ATOM 130 C LEU A 8 12.066 1.651 1.701 1.00 0.00 C ATOM 131 O LEU A 8 13.138 1.836 1.039 1.00 0.00 O ATOM 132 CB LEU A 8 11.711 3.842 3.049 1.00 0.00 C ATOM 133 CG LEU A 8 12.457 5.107 2.493 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.694 6.407 2.782 1.00 0.00 C ATOM 135 CD2 LEU A 8 13.879 5.214 3.048 1.00 0.00 C ATOM 0 H LEU A 8 9.471 2.780 3.324 1.00 0.00 H new ATOM 0 HA LEU A 8 11.045 3.395 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.904 4.175 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.407 3.273 3.666 1.00 0.00 H new ATOM 0 HG LEU A 8 12.508 4.974 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.250 7.253 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.710 6.363 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.579 6.530 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.363 6.102 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.841 5.288 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.448 4.328 2.765 1.00 0.00 H new ATOM 147 N ASP A 9 11.631 0.407 2.190 1.00 0.00 N ATOM 148 CA ASP A 9 12.359 -0.920 2.040 1.00 0.00 C ATOM 149 C ASP A 9 12.367 -1.460 0.574 1.00 0.00 C ATOM 150 O ASP A 9 13.414 -2.036 0.165 1.00 0.00 O ATOM 151 CB ASP A 9 11.759 -1.981 2.999 1.00 0.00 C ATOM 152 CG ASP A 9 12.275 -1.860 4.429 1.00 0.00 C ATOM 153 OD1 ASP A 9 13.300 -2.503 4.750 1.00 0.00 O ATOM 154 OD2 ASP A 9 11.644 -1.136 5.232 1.00 0.00 O ATOM 0 H ASP A 9 10.754 0.311 2.703 1.00 0.00 H new ATOM 0 HA ASP A 9 13.398 -0.730 2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.673 -1.885 3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.990 -2.976 2.619 1.00 0.00 H new ATOM 159 N GLY A 10 11.203 -1.234 -0.177 1.00 0.00 N ATOM 160 CA GLY A 10 11.008 -1.644 -1.597 1.00 0.00 C ATOM 161 C GLY A 10 9.936 -2.716 -1.794 1.00 0.00 C ATOM 162 O GLY A 10 10.235 -3.729 -2.476 1.00 0.00 O ATOM 0 H GLY A 10 10.389 -0.759 0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.741 -0.766 -2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.954 -2.015 -1.990 1.00 0.00 H new ATOM 166 N LYS A 11 8.697 -2.461 -1.197 1.00 0.00 N ATOM 167 CA LYS A 11 7.474 -3.360 -1.262 1.00 0.00 C ATOM 168 C LYS A 11 6.162 -2.523 -1.344 1.00 0.00 C ATOM 169 O LYS A 11 6.013 -1.540 -0.560 1.00 0.00 O ATOM 170 CB LYS A 11 7.408 -4.463 -0.105 1.00 0.00 C ATOM 171 CG LYS A 11 7.641 -4.018 1.379 1.00 0.00 C ATOM 172 CD LYS A 11 8.327 -5.095 2.218 1.00 0.00 C ATOM 173 CE LYS A 11 8.147 -4.854 3.710 1.00 0.00 C ATOM 174 NZ LYS A 11 8.618 -6.011 4.521 1.00 0.00 N ATOM 0 H LYS A 11 8.528 -1.614 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 11 7.575 -3.929 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.428 -4.937 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.146 -5.230 -0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.248 -3.113 1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.683 -3.766 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.921 -6.072 1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.390 -5.118 1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.696 -3.959 4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.095 -4.666 3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.478 -5.807 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.077 -6.860 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.629 -6.175 4.338 1.00 0.00 H new ATOM 188 N THR A 12 5.247 -2.946 -2.304 1.00 0.00 N ATOM 189 CA THR A 12 3.911 -2.300 -2.576 1.00 0.00 C ATOM 190 C THR A 12 2.744 -3.271 -2.250 1.00 0.00 C ATOM 191 O THR A 12 2.787 -4.474 -2.663 1.00 0.00 O ATOM 192 CB THR A 12 3.761 -1.745 -4.043 1.00 0.00 C ATOM 193 OG1 THR A 12 4.272 -2.680 -5.007 1.00 0.00 O ATOM 194 CG2 THR A 12 4.460 -0.393 -4.220 1.00 0.00 C ATOM 0 H THR A 12 5.426 -3.749 -2.907 1.00 0.00 H new ATOM 0 HA THR A 12 3.863 -1.438 -1.911 1.00 0.00 H new ATOM 0 HB THR A 12 2.694 -1.603 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.165 -2.311 -5.909 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.331 -0.048 -5.246 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.024 0.334 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.523 -0.502 -4.005 1.00 0.00 H new ATOM 202 N ILE A 13 1.721 -2.711 -1.477 1.00 0.00 N ATOM 203 CA ILE A 13 0.463 -3.424 -0.997 1.00 0.00 C ATOM 204 C ILE A 13 -0.731 -2.434 -0.837 1.00 0.00 C ATOM 205 O ILE A 13 -0.521 -1.302 -0.310 1.00 0.00 O ATOM 206 CB ILE A 13 0.626 -4.312 0.344 1.00 0.00 C ATOM 207 CG1 ILE A 13 1.434 -3.623 1.540 1.00 0.00 C ATOM 208 CG2 ILE A 13 1.246 -5.673 -0.009 1.00 0.00 C ATOM 209 CD1 ILE A 13 0.638 -3.462 2.829 1.00 0.00 C ATOM 0 H ILE A 13 1.755 -1.739 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 13 0.255 -4.139 -1.794 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.385 -4.430 0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.324 -4.216 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.775 -2.641 1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.355 -6.269 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.598 -6.196 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.225 -5.520 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.263 -2.987 3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.239 -2.842 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.320 -4.442 3.185 1.00 0.00 H new ATOM 221 N THR A 14 -1.960 -2.910 -1.294 1.00 0.00 N ATOM 222 CA THR A 14 -3.262 -2.150 -1.241 1.00 0.00 C ATOM 223 C THR A 14 -3.982 -2.328 0.124 1.00 0.00 C ATOM 224 O THR A 14 -3.980 -3.470 0.694 1.00 0.00 O ATOM 225 CB THR A 14 -4.277 -2.540 -2.386 1.00 0.00 C ATOM 226 OG1 THR A 14 -4.377 -3.965 -2.527 1.00 0.00 O ATOM 227 CG2 THR A 14 -3.936 -1.925 -3.731 1.00 0.00 C ATOM 0 H THR A 14 -2.062 -3.836 -1.709 1.00 0.00 H new ATOM 0 HA THR A 14 -2.970 -1.110 -1.383 1.00 0.00 H new ATOM 0 HB THR A 14 -5.238 -2.130 -2.074 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.013 -4.179 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.674 -2.235 -4.470 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.941 -0.838 -3.646 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.947 -2.259 -4.044 1.00 0.00 H new ATOM 235 N LEU A 15 -4.623 -1.182 0.594 1.00 0.00 N ATOM 236 CA LEU A 15 -5.424 -1.096 1.837 1.00 0.00 C ATOM 237 C LEU A 15 -6.911 -0.892 1.419 1.00 0.00 C ATOM 238 O LEU A 15 -7.294 0.201 0.870 1.00 0.00 O ATOM 239 CB LEU A 15 -4.866 0.000 2.802 1.00 0.00 C ATOM 240 CG LEU A 15 -4.708 -0.444 4.299 1.00 0.00 C ATOM 241 CD1 LEU A 15 -3.267 -0.300 4.787 1.00 0.00 C ATOM 242 CD2 LEU A 15 -5.645 0.335 5.229 1.00 0.00 C ATOM 0 H LEU A 15 -4.580 -0.295 0.093 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.357 -2.015 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.894 0.326 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.528 0.865 2.764 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.983 -1.498 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.202 -0.618 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.612 -0.921 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.958 0.742 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.503 -0.004 6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.420 1.400 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.679 0.164 4.930 1.00 0.00 H new ATOM 254 N GLU A 16 -7.710 -2.019 1.612 1.00 0.00 N ATOM 255 CA GLU A 16 -9.155 -2.132 1.238 1.00 0.00 C ATOM 256 C GLU A 16 -10.039 -2.599 2.429 1.00 0.00 C ATOM 257 O GLU A 16 -9.584 -3.455 3.251 1.00 0.00 O ATOM 258 CB GLU A 16 -9.307 -3.092 0.031 1.00 0.00 C ATOM 259 CG GLU A 16 -9.208 -2.407 -1.340 1.00 0.00 C ATOM 260 CD GLU A 16 -9.933 -3.164 -2.451 1.00 0.00 C ATOM 261 OE1 GLU A 16 -11.136 -2.890 -2.675 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.295 -4.017 -3.109 1.00 0.00 O ATOM 0 H GLU A 16 -7.347 -2.872 2.037 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.507 -1.139 0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.538 -3.862 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.270 -3.597 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.622 -1.401 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.157 -2.300 -1.609 1.00 0.00 H new ATOM 269 N VAL A 17 -11.300 -2.006 2.484 1.00 0.00 N ATOM 270 CA VAL A 17 -12.358 -2.279 3.537 1.00 0.00 C ATOM 271 C VAL A 17 -13.785 -2.312 2.926 1.00 0.00 C ATOM 272 O VAL A 17 -14.121 -1.419 2.110 1.00 0.00 O ATOM 273 CB VAL A 17 -12.311 -1.320 4.834 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.224 -1.781 5.800 1.00 0.00 C ATOM 275 CG2 VAL A 17 -12.139 0.211 4.567 1.00 0.00 C ATOM 276 OXT VAL A 17 -14.547 -3.237 3.277 1.00 0.00 O ATOM 0 H VAL A 17 -11.605 -1.322 1.791 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.104 -3.271 3.911 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.308 -1.424 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.206 -1.123 6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.432 -2.801 6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.256 -1.748 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.122 0.746 5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.203 0.385 4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.972 0.571 3.962 1.00 0.00 H new TER 286 VAL A 17