USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 483 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 9 THR OG1 : rot 49:sc= 0.54 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0657 USER MOD Single : A 15 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.61) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.197 K(o=0.2,f=-8.1!) USER MOD Single : A 32 THR OG1 : rot -74:sc= -2.42! USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= 0.163 (180deg=-0.692!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.37 K(o=-1.4,f=-6.6!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -3.52! K(o=-3.5!,f=-1.3) USER MOD Single : A 43 THR OG1 : rot 41:sc= 0.805 USER MOD Single : A 53 THR OG1 : rot 19:sc= 0.253 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -173:sc= -4.61! (180deg=-5.38!) USER MOD Single : A 87 MET CE :methyl -105:sc= -1.67! (180deg=-1.95!) USER MOD Single : A 88 GLN : amide:sc= -0.875 K(o=-0.88,f=-2.7) USER MOD Single : A 91 SER OG : rot 66:sc= 1.23 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.76 K(o=-0.76,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -232.082 -13.466 104.933 1.00 0.00 N ATOM 134 CA THR A 9 -233.229 -13.006 104.177 1.00 0.00 C ATOM 135 C THR A 9 -234.017 -14.208 103.651 1.00 0.00 C ATOM 136 O THR A 9 -233.654 -14.805 102.637 1.00 0.00 O ATOM 137 CB THR A 9 -232.786 -12.125 102.989 1.00 0.00 C ATOM 138 OG1 THR A 9 -231.796 -12.807 102.210 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.215 -10.804 103.472 1.00 0.00 C ATOM 0 HA THR A 9 -233.859 -12.411 104.838 1.00 0.00 H new ATOM 0 HB THR A 9 -233.665 -11.926 102.376 1.00 0.00 H new ATOM 0 HG1 THR A 9 -232.100 -13.719 102.020 1.00 0.00 H new ATOM 0 HG21 THR A 9 -231.911 -10.204 102.614 1.00 0.00 H new ATOM 0 HG22 THR A 9 -232.973 -10.266 104.041 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.350 -10.992 104.108 1.00 0.00 H new ATOM 147 N HIS A 10 -235.067 -14.594 104.360 1.00 0.00 N ATOM 148 CA HIS A 10 -235.884 -15.723 103.931 1.00 0.00 C ATOM 149 C HIS A 10 -237.211 -15.246 103.409 1.00 0.00 C ATOM 150 O HIS A 10 -237.877 -14.434 104.029 1.00 0.00 O ATOM 151 CB HIS A 10 -236.151 -16.706 105.067 1.00 0.00 C ATOM 152 CG HIS A 10 -234.957 -17.481 105.533 1.00 0.00 C ATOM 153 ND1 HIS A 10 -234.805 -18.826 105.288 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.875 -17.108 106.252 1.00 0.00 C ATOM 155 CE1 HIS A 10 -233.684 -19.249 105.836 1.00 0.00 C ATOM 156 NE2 HIS A 10 -233.098 -18.227 106.429 1.00 0.00 N ATOM 0 H HIS A 10 -235.372 -14.149 105.226 1.00 0.00 H new ATOM 0 HA HIS A 10 -235.321 -16.230 103.147 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -236.560 -16.155 105.914 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.918 -17.410 104.744 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -233.661 -16.115 106.619 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -233.309 -20.261 105.805 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -232.213 -18.262 106.936 1.00 0.00 H new ATOM 165 N ARG A 11 -237.597 -15.759 102.275 1.00 0.00 N ATOM 166 CA ARG A 11 -238.885 -15.479 101.741 1.00 0.00 C ATOM 167 C ARG A 11 -239.868 -16.514 102.251 1.00 0.00 C ATOM 168 O ARG A 11 -239.585 -17.713 102.229 1.00 0.00 O ATOM 169 CB ARG A 11 -238.829 -15.462 100.235 1.00 0.00 C ATOM 170 CG ARG A 11 -239.752 -14.417 99.701 1.00 0.00 C ATOM 171 CD ARG A 11 -239.437 -14.038 98.275 1.00 0.00 C ATOM 172 NE ARG A 11 -239.538 -15.168 97.351 1.00 0.00 N ATOM 173 CZ ARG A 11 -240.100 -15.102 96.143 1.00 0.00 C ATOM 174 NH1 ARG A 11 -240.658 -13.973 95.715 1.00 0.00 N ATOM 175 NH2 ARG A 11 -240.108 -16.176 95.365 1.00 0.00 N ATOM 0 H ARG A 11 -237.025 -16.380 101.702 1.00 0.00 H new ATOM 0 HA ARG A 11 -239.219 -14.494 102.067 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.810 -15.263 99.903 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.107 -16.440 99.842 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.778 -14.780 99.758 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.693 -13.529 100.331 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -240.119 -13.251 97.954 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -238.429 -13.625 98.228 1.00 0.00 H new ATOM 0 HE ARG A 11 -239.154 -16.064 97.650 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -240.659 -13.146 96.312 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -241.085 -13.934 94.789 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -239.686 -17.045 95.691 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -240.536 -16.133 94.440 1.00 0.00 H new ATOM 189 N VAL A 12 -241.008 -16.052 102.717 1.00 0.00 N ATOM 190 CA VAL A 12 -241.977 -16.916 103.354 1.00 0.00 C ATOM 191 C VAL A 12 -243.264 -16.913 102.542 1.00 0.00 C ATOM 192 O VAL A 12 -243.863 -15.861 102.311 1.00 0.00 O ATOM 193 CB VAL A 12 -242.229 -16.473 104.818 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.457 -14.968 104.905 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.398 -17.237 105.425 1.00 0.00 C ATOM 0 H VAL A 12 -241.288 -15.073 102.665 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.588 -17.934 103.388 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.336 -16.709 105.396 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.631 -14.686 105.943 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.578 -14.445 104.529 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.325 -14.696 104.305 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.554 -16.908 106.452 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.299 -17.046 104.842 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.179 -18.305 105.416 1.00 0.00 H new ATOM 205 N THR A 13 -243.652 -18.086 102.061 1.00 0.00 N ATOM 206 CA THR A 13 -244.792 -18.199 101.170 1.00 0.00 C ATOM 207 C THR A 13 -246.085 -18.015 101.958 1.00 0.00 C ATOM 208 O THR A 13 -246.416 -18.828 102.826 1.00 0.00 O ATOM 209 CB THR A 13 -244.843 -19.583 100.499 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.592 -19.875 99.868 1.00 0.00 O ATOM 211 CG2 THR A 13 -245.968 -19.640 99.475 1.00 0.00 C ATOM 0 H THR A 13 -243.192 -18.971 102.274 1.00 0.00 H new ATOM 0 HA THR A 13 -244.687 -17.428 100.406 1.00 0.00 H new ATOM 0 HB THR A 13 -245.034 -20.331 101.269 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.637 -20.759 99.446 1.00 0.00 H new ATOM 0 HG21 THR A 13 -245.988 -20.626 99.011 1.00 0.00 H new ATOM 0 HG22 THR A 13 -246.921 -19.452 99.970 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.802 -18.882 98.709 1.00 0.00 H new ATOM 219 N VAL A 14 -246.816 -16.961 101.663 1.00 0.00 N ATOM 220 CA VAL A 14 -248.035 -16.677 102.382 1.00 0.00 C ATOM 221 C VAL A 14 -249.239 -17.162 101.589 1.00 0.00 C ATOM 222 O VAL A 14 -249.564 -16.632 100.529 1.00 0.00 O ATOM 223 CB VAL A 14 -248.159 -15.175 102.691 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.223 -14.915 103.742 1.00 0.00 C ATOM 225 CG2 VAL A 14 -246.822 -14.616 103.143 1.00 0.00 C ATOM 0 H VAL A 14 -246.586 -16.289 100.931 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.003 -17.211 103.331 1.00 0.00 H new ATOM 0 HB VAL A 14 -248.461 -14.668 101.775 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.287 -13.845 103.938 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.186 -15.276 103.381 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -248.961 -15.438 104.662 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -246.926 -13.552 103.358 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -246.495 -15.138 104.043 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -246.083 -14.756 102.354 1.00 0.00 H new ATOM 235 N HIS A 15 -249.886 -18.191 102.115 1.00 0.00 N ATOM 236 CA HIS A 15 -251.008 -18.844 101.449 1.00 0.00 C ATOM 237 C HIS A 15 -252.309 -18.089 101.673 1.00 0.00 C ATOM 238 O HIS A 15 -253.314 -18.348 101.012 1.00 0.00 O ATOM 239 CB HIS A 15 -251.147 -20.277 101.972 1.00 0.00 C ATOM 240 CG HIS A 15 -250.797 -21.307 100.948 1.00 0.00 C ATOM 241 ND1 HIS A 15 -251.595 -21.594 99.866 1.00 0.00 N ATOM 242 CD2 HIS A 15 -249.697 -22.088 100.816 1.00 0.00 C ATOM 243 CE1 HIS A 15 -251.003 -22.496 99.111 1.00 0.00 C ATOM 244 NE2 HIS A 15 -249.854 -22.815 99.665 1.00 0.00 N ATOM 0 H HIS A 15 -249.648 -18.600 103.019 1.00 0.00 H new ATOM 0 HA HIS A 15 -250.807 -18.854 100.378 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -250.504 -20.404 102.843 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -252.172 -20.438 102.307 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -248.855 -22.130 101.491 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -251.395 -22.905 98.192 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -249.187 -23.494 99.297 1.00 0.00 H new ATOM 253 N GLY A 16 -252.288 -17.160 102.610 1.00 0.00 N ATOM 254 CA GLY A 16 -253.492 -16.420 102.933 1.00 0.00 C ATOM 255 C GLY A 16 -253.690 -15.214 102.042 1.00 0.00 C ATOM 256 O GLY A 16 -254.822 -14.842 101.737 1.00 0.00 O ATOM 0 H GLY A 16 -251.464 -16.903 103.153 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.355 -17.080 102.842 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -253.447 -16.096 103.973 1.00 0.00 H new ATOM 260 N VAL A 17 -252.593 -14.601 101.629 1.00 0.00 N ATOM 261 CA VAL A 17 -252.656 -13.454 100.742 1.00 0.00 C ATOM 262 C VAL A 17 -252.783 -13.920 99.299 1.00 0.00 C ATOM 263 O VAL A 17 -251.943 -14.664 98.788 1.00 0.00 O ATOM 264 CB VAL A 17 -251.439 -12.512 100.912 1.00 0.00 C ATOM 265 CG1 VAL A 17 -250.147 -13.300 100.933 1.00 0.00 C ATOM 266 CG2 VAL A 17 -251.393 -11.457 99.815 1.00 0.00 C ATOM 0 H VAL A 17 -251.648 -14.879 101.895 1.00 0.00 H new ATOM 0 HA VAL A 17 -253.540 -12.876 101.011 1.00 0.00 H new ATOM 0 HB VAL A 17 -251.554 -12.001 101.868 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.306 -12.617 101.053 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -250.164 -14.005 101.765 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.039 -13.847 99.996 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -250.526 -10.813 99.965 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -251.318 -11.945 98.843 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -252.302 -10.856 99.850 1.00 0.00 H new ATOM 326 N PRO A 22 -252.055 -17.596 93.984 1.00 0.00 N ATOM 327 CA PRO A 22 -252.816 -18.337 94.986 1.00 0.00 C ATOM 328 C PRO A 22 -252.150 -18.215 96.338 1.00 0.00 C ATOM 329 O PRO A 22 -252.783 -18.146 97.389 1.00 0.00 O ATOM 330 CB PRO A 22 -252.731 -19.784 94.493 1.00 0.00 C ATOM 331 CG PRO A 22 -251.910 -19.742 93.240 1.00 0.00 C ATOM 332 CD PRO A 22 -251.148 -18.473 93.245 1.00 0.00 C ATOM 0 HA PRO A 22 -253.839 -17.978 95.101 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -252.268 -20.426 95.242 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -253.724 -20.189 94.296 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -251.233 -20.595 93.198 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -252.551 -19.800 92.360 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -250.182 -18.576 93.739 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -250.953 -18.107 92.237 1.00 0.00 H new ATOM 340 N PHE A 23 -250.848 -18.208 96.251 1.00 0.00 N ATOM 341 CA PHE A 23 -249.960 -18.023 97.380 1.00 0.00 C ATOM 342 C PHE A 23 -248.812 -17.135 96.937 1.00 0.00 C ATOM 343 O PHE A 23 -248.235 -17.353 95.874 1.00 0.00 O ATOM 344 CB PHE A 23 -249.438 -19.376 97.888 1.00 0.00 C ATOM 345 CG PHE A 23 -248.863 -20.264 96.810 1.00 0.00 C ATOM 346 CD1 PHE A 23 -249.685 -21.101 96.074 1.00 0.00 C ATOM 347 CD2 PHE A 23 -247.503 -20.265 96.539 1.00 0.00 C ATOM 348 CE1 PHE A 23 -249.165 -21.918 95.089 1.00 0.00 C ATOM 349 CE2 PHE A 23 -246.977 -21.079 95.554 1.00 0.00 C ATOM 350 CZ PHE A 23 -247.810 -21.906 94.828 1.00 0.00 C ATOM 0 H PHE A 23 -250.354 -18.334 95.367 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.497 -17.553 98.204 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -248.672 -19.197 98.642 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.253 -19.905 98.382 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -250.746 -21.115 96.273 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -246.846 -19.621 97.105 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -249.818 -22.566 94.524 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -245.916 -21.068 95.353 1.00 0.00 H new ATOM 0 HZ PHE A 23 -247.402 -22.543 94.057 1.00 0.00 H new ATOM 360 N THR A 24 -248.499 -16.122 97.717 1.00 0.00 N ATOM 361 CA THR A 24 -247.434 -15.218 97.348 1.00 0.00 C ATOM 362 C THR A 24 -246.418 -15.095 98.483 1.00 0.00 C ATOM 363 O THR A 24 -246.772 -15.013 99.661 1.00 0.00 O ATOM 364 CB THR A 24 -247.980 -13.837 96.912 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.925 -13.018 96.394 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.671 -13.121 98.049 1.00 0.00 C ATOM 0 H THR A 24 -248.961 -15.906 98.600 1.00 0.00 H new ATOM 0 HA THR A 24 -246.921 -15.637 96.483 1.00 0.00 H new ATOM 0 HB THR A 24 -248.716 -14.016 96.128 1.00 0.00 H new ATOM 0 HG1 THR A 24 -247.289 -12.150 96.122 1.00 0.00 H new ATOM 0 HG21 THR A 24 -249.039 -12.156 97.701 1.00 0.00 H new ATOM 0 HG22 THR A 24 -249.508 -13.723 98.403 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.965 -12.967 98.865 1.00 0.00 H new ATOM 374 N VAL A 25 -245.156 -15.129 98.106 1.00 0.00 N ATOM 375 CA VAL A 25 -244.047 -15.211 99.048 1.00 0.00 C ATOM 376 C VAL A 25 -243.356 -13.846 99.179 1.00 0.00 C ATOM 377 O VAL A 25 -243.035 -13.213 98.168 1.00 0.00 O ATOM 378 CB VAL A 25 -243.038 -16.255 98.529 1.00 0.00 C ATOM 379 CG1 VAL A 25 -242.094 -16.723 99.609 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.747 -17.432 97.876 1.00 0.00 C ATOM 0 H VAL A 25 -244.864 -15.100 97.129 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.422 -15.504 100.029 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.434 -15.759 97.769 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.403 -17.457 99.195 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.532 -15.872 99.995 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.664 -17.178 100.419 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -243.008 -18.150 97.521 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.400 -17.913 98.604 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.342 -17.077 97.034 1.00 0.00 H new ATOM 390 N PHE A 26 -243.137 -13.378 100.411 1.00 0.00 N ATOM 391 CA PHE A 26 -242.447 -12.101 100.630 1.00 0.00 C ATOM 392 C PHE A 26 -241.180 -12.308 101.438 1.00 0.00 C ATOM 393 O PHE A 26 -241.121 -13.193 102.294 1.00 0.00 O ATOM 394 CB PHE A 26 -243.346 -11.078 101.323 1.00 0.00 C ATOM 395 CG PHE A 26 -244.643 -10.841 100.603 1.00 0.00 C ATOM 396 CD1 PHE A 26 -244.707 -9.918 99.571 1.00 0.00 C ATOM 397 CD2 PHE A 26 -245.794 -11.534 100.952 1.00 0.00 C ATOM 398 CE1 PHE A 26 -245.891 -9.688 98.901 1.00 0.00 C ATOM 399 CE2 PHE A 26 -246.979 -11.307 100.284 1.00 0.00 C ATOM 400 CZ PHE A 26 -247.028 -10.382 99.258 1.00 0.00 C ATOM 0 H PHE A 26 -243.423 -13.857 101.265 1.00 0.00 H new ATOM 0 HA PHE A 26 -242.185 -11.706 99.648 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.558 -11.419 102.336 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.809 -10.133 101.410 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -243.819 -9.372 99.288 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -245.761 -12.257 101.754 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -245.927 -8.966 98.099 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -247.869 -11.852 100.563 1.00 0.00 H new ATOM 0 HZ PHE A 26 -247.956 -10.203 98.736 1.00 0.00 H new ATOM 410 N THR A 27 -240.164 -11.503 101.153 1.00 0.00 N ATOM 411 CA THR A 27 -238.845 -11.729 101.714 1.00 0.00 C ATOM 412 C THR A 27 -238.658 -11.009 103.038 1.00 0.00 C ATOM 413 O THR A 27 -239.094 -9.873 103.217 1.00 0.00 O ATOM 414 CB THR A 27 -237.726 -11.293 100.752 1.00 0.00 C ATOM 415 OG1 THR A 27 -238.187 -11.336 99.393 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.530 -12.219 100.907 1.00 0.00 C ATOM 0 H THR A 27 -240.231 -10.692 100.539 1.00 0.00 H new ATOM 0 HA THR A 27 -238.776 -12.804 101.879 1.00 0.00 H new ATOM 0 HB THR A 27 -237.436 -10.271 100.995 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.465 -11.054 98.793 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.739 -11.909 100.225 1.00 0.00 H new ATOM 0 HG22 THR A 27 -236.164 -12.172 101.933 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.829 -13.241 100.675 1.00 0.00 H new ATOM 424 N ILE A 28 -238.005 -11.696 103.954 1.00 0.00 N ATOM 425 CA ILE A 28 -237.709 -11.157 105.260 1.00 0.00 C ATOM 426 C ILE A 28 -236.205 -11.020 105.429 1.00 0.00 C ATOM 427 O ILE A 28 -235.455 -11.211 104.472 1.00 0.00 O ATOM 428 CB ILE A 28 -238.285 -12.051 106.373 1.00 0.00 C ATOM 429 CG1 ILE A 28 -237.363 -13.230 106.686 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.646 -12.569 105.948 1.00 0.00 C ATOM 431 CD1 ILE A 28 -237.778 -13.994 107.919 1.00 0.00 C ATOM 0 H ILE A 28 -237.665 -12.647 103.810 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.175 -10.175 105.340 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.376 -11.449 107.277 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -237.348 -13.909 105.833 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -236.345 -12.863 106.819 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -240.056 -13.202 106.735 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.317 -11.728 105.773 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.544 -13.149 105.031 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -237.084 -14.818 108.087 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.766 -13.327 108.781 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -238.784 -14.390 107.780 1.00 0.00 H new ATOM 443 N ASN A 29 -235.769 -10.683 106.627 1.00 0.00 N ATOM 444 CA ASN A 29 -234.353 -10.575 106.930 1.00 0.00 C ATOM 445 C ASN A 29 -234.154 -10.929 108.400 1.00 0.00 C ATOM 446 O ASN A 29 -235.133 -11.146 109.116 1.00 0.00 O ATOM 447 CB ASN A 29 -233.862 -9.156 106.623 1.00 0.00 C ATOM 448 CG ASN A 29 -232.355 -9.051 106.415 1.00 0.00 C ATOM 449 OD1 ASN A 29 -231.573 -9.844 106.938 1.00 0.00 O ATOM 450 ND2 ASN A 29 -231.939 -8.061 105.639 1.00 0.00 N ATOM 0 H ASN A 29 -236.382 -10.477 107.416 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.772 -11.262 106.315 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -234.368 -8.794 105.728 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.152 -8.497 107.442 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -230.943 -7.938 105.459 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -232.615 -7.422 105.221 1.00 0.00 H new ATOM 457 N GLY A 30 -232.911 -11.006 108.844 1.00 0.00 N ATOM 458 CA GLY A 30 -232.630 -11.356 110.221 1.00 0.00 C ATOM 459 C GLY A 30 -233.196 -10.346 111.194 1.00 0.00 C ATOM 460 O GLY A 30 -232.689 -9.230 111.304 1.00 0.00 O ATOM 0 H GLY A 30 -232.085 -10.831 108.272 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -233.048 -12.339 110.437 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -231.552 -11.430 110.363 1.00 0.00 H new ATOM 464 N GLY A 31 -234.266 -10.721 111.878 1.00 0.00 N ATOM 465 CA GLY A 31 -234.854 -9.840 112.861 1.00 0.00 C ATOM 466 C GLY A 31 -236.360 -9.727 112.728 1.00 0.00 C ATOM 467 O GLY A 31 -237.047 -9.458 113.714 1.00 0.00 O ATOM 0 H GLY A 31 -234.736 -11.619 111.769 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.609 -10.203 113.859 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.411 -8.849 112.764 1.00 0.00 H new ATOM 471 N THR A 32 -236.881 -9.948 111.525 1.00 0.00 N ATOM 472 CA THR A 32 -238.312 -9.796 111.281 1.00 0.00 C ATOM 473 C THR A 32 -239.153 -10.757 112.106 1.00 0.00 C ATOM 474 O THR A 32 -239.097 -11.974 111.914 1.00 0.00 O ATOM 475 CB THR A 32 -238.679 -9.996 109.817 1.00 0.00 C ATOM 476 OG1 THR A 32 -238.025 -11.157 109.302 1.00 0.00 O ATOM 477 CG2 THR A 32 -238.315 -8.779 108.981 1.00 0.00 C ATOM 0 H THR A 32 -236.339 -10.231 110.709 1.00 0.00 H new ATOM 0 HA THR A 32 -238.532 -8.771 111.579 1.00 0.00 H new ATOM 0 HB THR A 32 -239.759 -10.133 109.758 1.00 0.00 H new ATOM 0 HG1 THR A 32 -237.075 -10.962 109.161 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.591 -8.956 107.941 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.851 -7.907 109.355 1.00 0.00 H new ATOM 0 HG23 THR A 32 -237.242 -8.600 109.046 1.00 0.00 H new ATOM 485 N LYS A 33 -239.923 -10.213 113.034 1.00 0.00 N ATOM 486 CA LYS A 33 -240.973 -10.985 113.664 1.00 0.00 C ATOM 487 C LYS A 33 -242.251 -10.813 112.857 1.00 0.00 C ATOM 488 O LYS A 33 -242.270 -10.047 111.893 1.00 0.00 O ATOM 489 CB LYS A 33 -241.190 -10.598 115.121 1.00 0.00 C ATOM 490 CG LYS A 33 -241.664 -9.190 115.313 1.00 0.00 C ATOM 491 CD LYS A 33 -240.522 -8.237 115.610 1.00 0.00 C ATOM 492 CE LYS A 33 -240.009 -8.376 117.039 1.00 0.00 C ATOM 493 NZ LYS A 33 -238.865 -9.324 117.158 1.00 0.00 N ATOM 0 H LYS A 33 -239.840 -9.251 113.363 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.674 -12.033 113.675 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -241.918 -11.279 115.563 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -240.255 -10.733 115.665 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -242.187 -8.859 114.416 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -242.383 -9.159 116.131 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -239.705 -8.424 114.913 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -240.854 -7.212 115.444 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -239.702 -7.397 117.406 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -240.823 -8.715 117.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -238.328 -9.113 118.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -239.225 -10.299 117.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -238.243 -9.223 116.331 1.00 0.00 H new ATOM 507 N ALA A 34 -243.309 -11.504 113.254 1.00 0.00 N ATOM 508 CA ALA A 34 -244.570 -11.511 112.515 1.00 0.00 C ATOM 509 C ALA A 34 -245.117 -10.115 112.199 1.00 0.00 C ATOM 510 O ALA A 34 -245.912 -9.959 111.284 1.00 0.00 O ATOM 511 CB ALA A 34 -245.600 -12.278 113.309 1.00 0.00 C ATOM 0 H ALA A 34 -243.321 -12.077 114.098 1.00 0.00 H new ATOM 0 HA ALA A 34 -244.365 -11.985 111.555 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -246.545 -12.289 112.765 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -245.256 -13.301 113.459 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.744 -11.798 114.277 1.00 0.00 H new ATOM 517 N LYS A 35 -244.707 -9.114 112.960 1.00 0.00 N ATOM 518 CA LYS A 35 -245.262 -7.761 112.794 1.00 0.00 C ATOM 519 C LYS A 35 -244.545 -7.037 111.664 1.00 0.00 C ATOM 520 O LYS A 35 -245.178 -6.522 110.739 1.00 0.00 O ATOM 521 CB LYS A 35 -245.207 -6.948 114.103 1.00 0.00 C ATOM 522 CG LYS A 35 -243.808 -6.709 114.647 1.00 0.00 C ATOM 523 CD LYS A 35 -243.825 -5.871 115.917 1.00 0.00 C ATOM 524 CE LYS A 35 -244.354 -4.468 115.663 1.00 0.00 C ATOM 525 NZ LYS A 35 -244.265 -3.620 116.882 1.00 0.00 N ATOM 0 H LYS A 35 -244.002 -9.200 113.692 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.316 -7.861 112.533 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -245.686 -5.983 113.935 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -245.793 -7.467 114.862 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -243.330 -7.667 114.851 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -243.205 -6.207 113.890 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -244.444 -6.362 116.668 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -242.816 -5.810 116.326 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -243.787 -4.005 114.855 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -245.391 -4.524 115.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -244.634 -2.671 116.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -244.826 -4.049 117.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -243.272 -3.547 117.182 1.00 0.00 H new ATOM 539 N GLN A 36 -243.213 -7.034 111.729 1.00 0.00 N ATOM 540 CA GLN A 36 -242.391 -6.509 110.655 1.00 0.00 C ATOM 541 C GLN A 36 -242.652 -7.322 109.406 1.00 0.00 C ATOM 542 O GLN A 36 -242.420 -6.878 108.283 1.00 0.00 O ATOM 543 CB GLN A 36 -240.911 -6.612 111.016 1.00 0.00 C ATOM 544 CG GLN A 36 -240.515 -5.872 112.281 1.00 0.00 C ATOM 545 CD GLN A 36 -239.085 -6.168 112.673 1.00 0.00 C ATOM 546 OE1 GLN A 36 -238.818 -7.119 113.404 1.00 0.00 O ATOM 547 NE2 GLN A 36 -238.159 -5.365 112.191 1.00 0.00 N ATOM 0 H GLN A 36 -242.684 -7.394 112.523 1.00 0.00 H new ATOM 0 HA GLN A 36 -242.641 -5.461 110.491 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -240.651 -7.664 111.130 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.320 -6.226 110.185 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -240.637 -4.800 112.129 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -241.182 -6.157 113.094 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -238.423 -4.586 111.587 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -237.178 -5.522 112.421 1.00 0.00 H new ATOM 556 N LEU A 37 -243.107 -8.541 109.622 1.00 0.00 N ATOM 557 CA LEU A 37 -243.369 -9.430 108.538 1.00 0.00 C ATOM 558 C LEU A 37 -244.716 -9.239 107.922 1.00 0.00 C ATOM 559 O LEU A 37 -244.834 -9.290 106.711 1.00 0.00 O ATOM 560 CB LEU A 37 -243.189 -10.865 108.947 1.00 0.00 C ATOM 561 CG LEU A 37 -242.257 -11.548 108.001 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.905 -11.616 106.633 1.00 0.00 C ATOM 563 CD2 LEU A 37 -240.993 -10.726 107.927 1.00 0.00 C ATOM 0 H LEU A 37 -243.299 -8.927 110.546 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.632 -9.179 107.775 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.794 -10.917 109.962 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -244.153 -11.374 108.954 1.00 0.00 H new ATOM 0 HG LEU A 37 -242.030 -12.560 108.338 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -242.231 -12.113 105.936 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.837 -12.177 106.699 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -243.113 -10.607 106.279 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -240.290 -11.200 107.242 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.231 -9.725 107.568 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.544 -10.659 108.918 1.00 0.00 H new ATOM 575 N LEU A 38 -245.732 -9.038 108.723 1.00 0.00 N ATOM 576 CA LEU A 38 -247.033 -8.773 108.175 1.00 0.00 C ATOM 577 C LEU A 38 -246.917 -7.574 107.240 1.00 0.00 C ATOM 578 O LEU A 38 -247.579 -7.516 106.224 1.00 0.00 O ATOM 579 CB LEU A 38 -248.050 -8.565 109.306 1.00 0.00 C ATOM 580 CG LEU A 38 -249.515 -8.543 108.868 1.00 0.00 C ATOM 581 CD1 LEU A 38 -250.011 -7.120 108.681 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.682 -9.342 107.578 1.00 0.00 C ATOM 0 H LEU A 38 -245.683 -9.053 109.742 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.400 -9.620 107.595 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.919 -9.359 110.041 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.823 -7.625 109.808 1.00 0.00 H new ATOM 0 HG LEU A 38 -250.116 -9.003 109.653 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -251.055 -7.137 108.370 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.921 -6.577 109.622 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.413 -6.624 107.917 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.728 -9.323 107.271 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -249.066 -8.901 106.795 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -249.372 -10.373 107.746 1.00 0.00 H new ATOM 594 N GLN A 39 -246.002 -6.671 107.577 1.00 0.00 N ATOM 595 CA GLN A 39 -245.557 -5.602 106.725 1.00 0.00 C ATOM 596 C GLN A 39 -245.029 -6.109 105.409 1.00 0.00 C ATOM 597 O GLN A 39 -245.454 -5.684 104.342 1.00 0.00 O ATOM 598 CB GLN A 39 -244.397 -4.972 107.441 1.00 0.00 C ATOM 599 CG GLN A 39 -243.978 -3.680 106.831 1.00 0.00 C ATOM 600 CD GLN A 39 -242.903 -2.967 107.632 1.00 0.00 C ATOM 601 OE1 GLN A 39 -243.203 -2.192 108.542 1.00 0.00 O ATOM 602 NE2 GLN A 39 -241.646 -3.205 107.288 1.00 0.00 N ATOM 0 H GLN A 39 -245.540 -6.674 108.487 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.389 -4.926 106.525 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.666 -4.806 108.484 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.553 -5.662 107.435 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.610 -3.864 105.822 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.847 -3.029 106.740 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -241.439 -3.854 106.529 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -240.885 -2.739 107.783 1.00 0.00 H new ATOM 611 N GLN A 40 -244.055 -6.988 105.512 1.00 0.00 N ATOM 612 CA GLN A 40 -243.434 -7.588 104.359 1.00 0.00 C ATOM 613 C GLN A 40 -244.472 -8.256 103.472 1.00 0.00 C ATOM 614 O GLN A 40 -244.329 -8.305 102.258 1.00 0.00 O ATOM 615 CB GLN A 40 -242.370 -8.588 104.808 1.00 0.00 C ATOM 616 CG GLN A 40 -241.019 -7.944 105.042 1.00 0.00 C ATOM 617 CD GLN A 40 -240.583 -7.146 103.836 1.00 0.00 C ATOM 618 OE1 GLN A 40 -239.796 -6.206 103.937 1.00 0.00 O ATOM 619 NE2 GLN A 40 -241.154 -7.484 102.696 1.00 0.00 N ATOM 0 H GLN A 40 -243.673 -7.305 106.403 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.953 -6.807 103.770 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.699 -9.074 105.726 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -242.270 -9.368 104.053 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -241.069 -7.293 105.915 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -240.278 -8.713 105.260 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -241.800 -8.272 102.663 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -240.949 -6.957 101.847 1.00 0.00 H new ATOM 628 N ILE A 41 -245.523 -8.725 104.104 1.00 0.00 N ATOM 629 CA ILE A 41 -246.619 -9.403 103.436 1.00 0.00 C ATOM 630 C ILE A 41 -247.569 -8.386 102.808 1.00 0.00 C ATOM 631 O ILE A 41 -248.092 -8.577 101.713 1.00 0.00 O ATOM 632 CB ILE A 41 -247.367 -10.265 104.467 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.390 -11.228 105.166 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.509 -11.029 103.832 1.00 0.00 C ATOM 635 CD1 ILE A 41 -245.285 -11.761 104.263 1.00 0.00 C ATOM 0 H ILE A 41 -245.646 -8.647 105.114 1.00 0.00 H new ATOM 0 HA ILE A 41 -246.228 -10.037 102.640 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.797 -9.597 105.213 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -245.935 -10.715 106.013 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.953 -12.070 105.568 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -249.014 -11.627 104.591 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -249.217 -10.326 103.393 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -248.119 -11.685 103.054 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.641 -12.431 104.833 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -245.728 -12.305 103.429 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.694 -10.929 103.881 1.00 0.00 H new ATOM 647 N LEU A 42 -247.779 -7.312 103.542 1.00 0.00 N ATOM 648 CA LEU A 42 -248.519 -6.150 103.085 1.00 0.00 C ATOM 649 C LEU A 42 -247.902 -5.575 101.841 1.00 0.00 C ATOM 650 O LEU A 42 -248.595 -5.080 100.955 1.00 0.00 O ATOM 651 CB LEU A 42 -248.463 -5.109 104.175 1.00 0.00 C ATOM 652 CG LEU A 42 -249.332 -5.441 105.363 1.00 0.00 C ATOM 653 CD1 LEU A 42 -248.729 -4.853 106.599 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.741 -4.934 105.152 1.00 0.00 C ATOM 0 H LEU A 42 -247.432 -7.219 104.497 1.00 0.00 H new ATOM 0 HA LEU A 42 -249.545 -6.442 102.860 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.431 -4.997 104.508 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -248.772 -4.147 103.765 1.00 0.00 H new ATOM 0 HG LEU A 42 -249.386 -6.524 105.478 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -249.355 -5.092 107.458 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -247.732 -5.267 106.750 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -248.659 -3.771 106.490 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.351 -5.184 106.020 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -250.723 -3.852 105.020 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -251.166 -5.400 104.263 1.00 0.00 H new ATOM 666 N THR A 43 -246.579 -5.649 101.825 1.00 0.00 N ATOM 667 CA THR A 43 -245.742 -5.044 100.824 1.00 0.00 C ATOM 668 C THR A 43 -246.272 -5.295 99.414 1.00 0.00 C ATOM 669 O THR A 43 -246.015 -6.319 98.782 1.00 0.00 O ATOM 670 CB THR A 43 -244.300 -5.563 100.982 1.00 0.00 C ATOM 671 OG1 THR A 43 -243.774 -5.144 102.249 1.00 0.00 O ATOM 672 CG2 THR A 43 -243.390 -5.070 99.879 1.00 0.00 C ATOM 0 H THR A 43 -246.050 -6.152 102.538 1.00 0.00 H new ATOM 0 HA THR A 43 -245.750 -3.964 100.970 1.00 0.00 H new ATOM 0 HB THR A 43 -244.337 -6.651 100.923 1.00 0.00 H new ATOM 0 HG1 THR A 43 -244.469 -5.227 102.935 1.00 0.00 H new ATOM 0 HG21 THR A 43 -242.385 -5.462 100.034 1.00 0.00 H new ATOM 0 HG22 THR A 43 -243.768 -5.411 98.915 1.00 0.00 H new ATOM 0 HG23 THR A 43 -243.360 -3.980 99.892 1.00 0.00 H new ATOM 823 N THR A 53 -254.205 -3.242 107.176 1.00 0.00 N ATOM 824 CA THR A 53 -255.478 -3.369 107.870 1.00 0.00 C ATOM 825 C THR A 53 -255.638 -4.687 108.609 1.00 0.00 C ATOM 826 O THR A 53 -256.117 -5.674 108.053 1.00 0.00 O ATOM 827 CB THR A 53 -256.653 -3.239 106.904 1.00 0.00 C ATOM 828 OG1 THR A 53 -256.434 -2.159 105.980 1.00 0.00 O ATOM 829 CG2 THR A 53 -257.959 -3.016 107.651 1.00 0.00 C ATOM 0 HA THR A 53 -255.478 -2.558 108.598 1.00 0.00 H new ATOM 0 HB THR A 53 -256.726 -4.175 106.350 1.00 0.00 H new ATOM 0 HG1 THR A 53 -255.480 -1.937 105.957 1.00 0.00 H new ATOM 0 HG21 THR A 53 -258.777 -2.927 106.936 1.00 0.00 H new ATOM 0 HG22 THR A 53 -258.147 -3.860 108.315 1.00 0.00 H new ATOM 0 HG23 THR A 53 -257.890 -2.101 108.239 1.00 0.00 H new ATOM 837 N ASP A 54 -255.232 -4.662 109.860 1.00 0.00 N ATOM 838 CA ASP A 54 -255.562 -5.662 110.855 1.00 0.00 C ATOM 839 C ASP A 54 -255.215 -7.102 110.479 1.00 0.00 C ATOM 840 O ASP A 54 -255.624 -8.046 111.154 1.00 0.00 O ATOM 841 CB ASP A 54 -257.026 -5.532 111.081 1.00 0.00 C ATOM 842 CG ASP A 54 -257.387 -4.347 111.954 1.00 0.00 C ATOM 843 OD1 ASP A 54 -257.273 -4.456 113.189 1.00 0.00 O ATOM 844 OD2 ASP A 54 -257.793 -3.297 111.409 1.00 0.00 O ATOM 0 H ASP A 54 -254.640 -3.917 110.227 1.00 0.00 H new ATOM 0 HA ASP A 54 -254.959 -5.475 111.744 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -257.529 -5.434 110.119 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -257.399 -6.445 111.545 1.00 0.00 H new ATOM 849 N TYR A 55 -254.485 -7.266 109.409 1.00 0.00 N ATOM 850 CA TYR A 55 -254.074 -8.589 108.949 1.00 0.00 C ATOM 851 C TYR A 55 -253.064 -9.239 109.893 1.00 0.00 C ATOM 852 O TYR A 55 -252.389 -8.557 110.662 1.00 0.00 O ATOM 853 CB TYR A 55 -253.479 -8.489 107.551 1.00 0.00 C ATOM 854 CG TYR A 55 -254.427 -7.894 106.543 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.627 -8.518 106.251 1.00 0.00 C ATOM 856 CD2 TYR A 55 -254.129 -6.703 105.894 1.00 0.00 C ATOM 857 CE1 TYR A 55 -256.507 -7.982 105.340 1.00 0.00 C ATOM 858 CE2 TYR A 55 -255.005 -6.154 104.979 1.00 0.00 C ATOM 859 CZ TYR A 55 -256.195 -6.797 104.704 1.00 0.00 C ATOM 860 OH TYR A 55 -257.071 -6.258 103.785 1.00 0.00 O ATOM 0 H TYR A 55 -254.153 -6.498 108.826 1.00 0.00 H new ATOM 0 HA TYR A 55 -254.963 -9.220 108.932 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -252.574 -7.883 107.591 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -253.182 -9.483 107.218 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -255.877 -9.444 106.748 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -253.198 -6.199 106.108 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -257.437 -8.486 105.123 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -254.761 -5.227 104.481 1.00 0.00 H new ATOM 0 HH TYR A 55 -256.701 -5.423 103.431 1.00 0.00 H new ATOM 870 N PHE A 56 -252.987 -10.565 109.826 1.00 0.00 N ATOM 871 CA PHE A 56 -251.983 -11.326 110.561 1.00 0.00 C ATOM 872 C PHE A 56 -251.775 -12.688 109.902 1.00 0.00 C ATOM 873 O PHE A 56 -252.333 -12.961 108.847 1.00 0.00 O ATOM 874 CB PHE A 56 -252.350 -11.487 112.047 1.00 0.00 C ATOM 875 CG PHE A 56 -253.635 -12.221 112.309 1.00 0.00 C ATOM 876 CD1 PHE A 56 -254.843 -11.544 112.304 1.00 0.00 C ATOM 877 CD2 PHE A 56 -253.638 -13.585 112.572 1.00 0.00 C ATOM 878 CE1 PHE A 56 -256.027 -12.204 112.555 1.00 0.00 C ATOM 879 CE2 PHE A 56 -254.823 -14.253 112.824 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.019 -13.559 112.815 1.00 0.00 C ATOM 0 H PHE A 56 -253.615 -11.139 109.264 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.049 -10.765 110.525 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -251.539 -12.014 112.551 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.416 -10.497 112.498 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -254.858 -10.483 112.100 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -252.705 -14.130 112.580 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -256.960 -11.661 112.548 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -254.814 -15.314 113.027 1.00 0.00 H new ATOM 0 HZ PHE A 56 -256.946 -14.077 113.011 1.00 0.00 H new ATOM 890 N LEU A 57 -250.958 -13.526 110.516 1.00 0.00 N ATOM 891 CA LEU A 57 -250.558 -14.804 109.933 1.00 0.00 C ATOM 892 C LEU A 57 -251.144 -15.911 110.782 1.00 0.00 C ATOM 893 O LEU A 57 -251.631 -15.639 111.865 1.00 0.00 O ATOM 894 CB LEU A 57 -249.020 -14.955 109.897 1.00 0.00 C ATOM 895 CG LEU A 57 -248.226 -13.893 109.115 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.565 -12.511 109.609 1.00 0.00 C ATOM 897 CD2 LEU A 57 -246.730 -14.119 109.258 1.00 0.00 C ATOM 0 H LEU A 57 -250.551 -13.344 111.433 1.00 0.00 H new ATOM 0 HA LEU A 57 -250.923 -14.854 108.907 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.657 -14.959 110.925 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -248.786 -15.931 109.473 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.501 -13.982 108.064 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -247.995 -11.773 109.045 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.631 -12.327 109.473 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.315 -12.431 110.667 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.191 -13.356 108.696 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.452 -14.059 110.310 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.472 -15.104 108.870 1.00 0.00 H new ATOM 909 N MET A 58 -251.119 -17.139 110.293 1.00 0.00 N ATOM 910 CA MET A 58 -251.504 -18.310 111.085 1.00 0.00 C ATOM 911 C MET A 58 -250.909 -19.554 110.450 1.00 0.00 C ATOM 912 O MET A 58 -250.621 -19.543 109.258 1.00 0.00 O ATOM 913 CB MET A 58 -253.024 -18.506 111.156 1.00 0.00 C ATOM 914 CG MET A 58 -253.817 -17.370 111.783 1.00 0.00 C ATOM 915 SD MET A 58 -255.514 -17.845 112.137 1.00 0.00 S ATOM 916 CE MET A 58 -255.658 -19.223 111.015 1.00 0.00 C ATOM 0 H MET A 58 -250.833 -17.359 109.339 1.00 0.00 H new ATOM 0 HA MET A 58 -251.132 -18.146 112.096 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.397 -18.667 110.144 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.226 -19.417 111.719 1.00 0.00 H new ATOM 0 HG2 MET A 58 -253.330 -17.054 112.705 1.00 0.00 H new ATOM 0 HG3 MET A 58 -253.814 -16.512 111.111 1.00 0.00 H new ATOM 0 HE1 MET A 58 -256.690 -19.575 111.001 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.369 -18.908 110.013 1.00 0.00 H new ATOM 0 HE3 MET A 58 -255.004 -20.030 111.344 1.00 0.00 H new ATOM 926 N GLU A 59 -250.724 -20.611 111.231 1.00 0.00 N ATOM 927 CA GLU A 59 -250.235 -21.872 110.686 1.00 0.00 C ATOM 928 C GLU A 59 -251.313 -22.955 110.772 1.00 0.00 C ATOM 929 O GLU A 59 -251.868 -23.219 111.844 1.00 0.00 O ATOM 930 CB GLU A 59 -248.948 -22.317 111.392 1.00 0.00 C ATOM 931 CG GLU A 59 -249.081 -22.490 112.896 1.00 0.00 C ATOM 932 CD GLU A 59 -247.769 -22.870 113.551 1.00 0.00 C ATOM 933 OE1 GLU A 59 -247.148 -23.858 113.113 1.00 0.00 O ATOM 934 OE2 GLU A 59 -247.351 -22.176 114.500 1.00 0.00 O ATOM 0 H GLU A 59 -250.903 -20.622 112.235 1.00 0.00 H new ATOM 0 HA GLU A 59 -249.998 -21.715 109.634 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -248.619 -23.261 110.958 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -248.167 -21.584 111.191 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -249.448 -21.562 113.335 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -249.825 -23.258 113.106 1.00 0.00 H new ATOM 1262 N ARG A 78 -252.870 -22.391 115.310 1.00 0.00 N ATOM 1263 CA ARG A 78 -252.041 -21.395 115.961 1.00 0.00 C ATOM 1264 C ARG A 78 -252.000 -20.119 115.134 1.00 0.00 C ATOM 1265 O ARG A 78 -251.471 -20.094 114.019 1.00 0.00 O ATOM 1266 CB ARG A 78 -250.625 -21.923 116.201 1.00 0.00 C ATOM 1267 CG ARG A 78 -249.753 -20.950 116.981 1.00 0.00 C ATOM 1268 CD ARG A 78 -248.345 -21.478 117.175 1.00 0.00 C ATOM 1269 NE ARG A 78 -248.302 -22.695 117.985 1.00 0.00 N ATOM 1270 CZ ARG A 78 -247.540 -23.750 117.697 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -246.863 -23.794 116.551 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -247.490 -24.781 118.532 1.00 0.00 N ATOM 0 HA ARG A 78 -252.483 -21.171 116.932 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -250.682 -22.867 116.743 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -250.154 -22.135 115.241 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -249.713 -19.997 116.454 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -250.205 -20.758 117.954 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -247.900 -21.680 116.201 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -247.736 -20.709 117.650 1.00 0.00 H new ATOM 0 HE ARG A 78 -248.889 -22.739 118.818 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -246.927 -23.019 115.891 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -246.281 -24.603 116.333 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -248.035 -24.766 119.394 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -246.907 -25.588 118.311 1.00 0.00 H new ATOM 1286 N ALA A 79 -252.595 -19.069 115.675 1.00 0.00 N ATOM 1287 CA ALA A 79 -252.592 -17.767 115.030 1.00 0.00 C ATOM 1288 C ALA A 79 -251.256 -17.064 115.290 1.00 0.00 C ATOM 1289 O ALA A 79 -250.688 -17.185 116.373 1.00 0.00 O ATOM 1290 CB ALA A 79 -253.748 -16.921 115.543 1.00 0.00 C ATOM 0 H ALA A 79 -253.090 -19.094 116.567 1.00 0.00 H new ATOM 0 HA ALA A 79 -252.717 -17.901 113.956 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -253.733 -15.948 115.051 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -254.691 -17.423 115.326 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -253.649 -16.785 116.620 1.00 0.00 H new ATOM 1296 N ILE A 80 -250.760 -16.355 114.296 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.475 -15.670 114.382 1.00 0.00 C ATOM 1298 C ILE A 80 -249.627 -14.238 114.877 1.00 0.00 C ATOM 1299 O ILE A 80 -250.281 -13.409 114.240 1.00 0.00 O ATOM 1300 CB ILE A 80 -248.746 -15.688 113.027 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.333 -17.113 112.669 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -247.524 -14.789 113.061 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.374 -17.712 113.669 1.00 0.00 C ATOM 0 H ILE A 80 -251.234 -16.234 113.401 1.00 0.00 H new ATOM 0 HA ILE A 80 -248.874 -16.214 115.110 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.431 -15.313 112.267 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -249.223 -17.739 112.605 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -247.870 -17.115 111.682 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -247.024 -14.817 112.093 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -247.831 -13.766 113.281 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -246.838 -15.137 113.833 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -247.115 -18.726 113.363 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -246.470 -17.105 113.715 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -247.843 -17.739 114.652 1.00 0.00 H new ATOM 1315 N GLY A 81 -249.021 -13.969 116.029 1.00 0.00 N ATOM 1316 CA GLY A 81 -249.013 -12.633 116.583 1.00 0.00 C ATOM 1317 C GLY A 81 -247.615 -12.050 116.611 1.00 0.00 C ATOM 1318 O GLY A 81 -246.645 -12.777 116.404 1.00 0.00 O ATOM 0 H GLY A 81 -248.531 -14.664 116.592 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -249.665 -11.989 115.992 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -249.419 -12.655 117.594 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.482 -10.740 116.865 1.00 0.00 N ATOM 1323 CA PRO A 82 -246.195 -10.047 116.872 1.00 0.00 C ATOM 1324 C PRO A 82 -245.127 -10.714 117.740 1.00 0.00 C ATOM 1325 O PRO A 82 -243.962 -10.786 117.346 1.00 0.00 O ATOM 1326 CB PRO A 82 -246.534 -8.660 117.412 1.00 0.00 C ATOM 1327 CG PRO A 82 -247.945 -8.463 117.007 1.00 0.00 C ATOM 1328 CD PRO A 82 -248.579 -9.814 117.154 1.00 0.00 C ATOM 0 HA PRO A 82 -245.755 -10.045 115.875 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -246.417 -8.612 118.495 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -245.884 -7.895 116.987 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -248.438 -7.724 117.639 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -248.015 -8.103 115.981 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -248.977 -9.964 118.158 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -249.409 -9.946 116.460 1.00 0.00 H new ATOM 1336 N GLU A 83 -245.515 -11.186 118.921 1.00 0.00 N ATOM 1337 CA GLU A 83 -244.576 -11.833 119.826 1.00 0.00 C ATOM 1338 C GLU A 83 -244.097 -13.172 119.277 1.00 0.00 C ATOM 1339 O GLU A 83 -242.907 -13.492 119.352 1.00 0.00 O ATOM 1340 CB GLU A 83 -245.208 -12.033 121.198 1.00 0.00 C ATOM 1341 CG GLU A 83 -245.408 -10.739 121.971 1.00 0.00 C ATOM 1342 CD GLU A 83 -245.834 -10.980 123.405 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -244.958 -11.237 124.258 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -247.048 -10.914 123.692 1.00 0.00 O ATOM 0 H GLU A 83 -246.471 -11.132 119.271 1.00 0.00 H new ATOM 0 HA GLU A 83 -243.711 -11.177 119.920 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -246.172 -12.526 121.076 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -244.579 -12.703 121.784 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -244.480 -10.167 121.962 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -246.161 -10.132 121.469 1.00 0.00 H new ATOM 1351 N GLU A 84 -245.019 -13.945 118.721 1.00 0.00 N ATOM 1352 CA GLU A 84 -244.692 -15.253 118.174 1.00 0.00 C ATOM 1353 C GLU A 84 -244.076 -15.100 116.790 1.00 0.00 C ATOM 1354 O GLU A 84 -244.764 -14.814 115.812 1.00 0.00 O ATOM 1355 CB GLU A 84 -245.937 -16.135 118.138 1.00 0.00 C ATOM 1356 CG GLU A 84 -246.513 -16.356 119.524 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.721 -17.264 119.539 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -247.540 -18.493 119.687 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -248.853 -16.757 119.432 1.00 0.00 O ATOM 0 H GLU A 84 -246.002 -13.687 118.637 1.00 0.00 H new ATOM 0 HA GLU A 84 -243.958 -15.740 118.816 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -246.691 -15.673 117.501 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -245.688 -17.097 117.691 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -245.741 -16.781 120.166 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -246.788 -15.392 119.952 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.770 -15.283 116.721 1.00 0.00 N ATOM 1367 CA GLU A 85 -242.020 -14.947 115.526 1.00 0.00 C ATOM 1368 C GLU A 85 -241.986 -16.107 114.535 1.00 0.00 C ATOM 1369 O GLU A 85 -241.786 -17.270 114.902 1.00 0.00 O ATOM 1370 CB GLU A 85 -240.622 -14.488 115.927 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.668 -13.329 116.909 1.00 0.00 C ATOM 1372 CD GLU A 85 -239.306 -12.794 117.284 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -238.783 -11.924 116.557 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -238.769 -13.217 118.324 1.00 0.00 O ATOM 0 H GLU A 85 -242.206 -15.664 117.481 1.00 0.00 H new ATOM 0 HA GLU A 85 -242.520 -14.129 115.008 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -240.080 -15.322 116.374 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -240.069 -14.188 115.037 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -241.259 -12.522 116.476 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -241.183 -13.652 117.814 1.00 0.00 H new ATOM 1381 N ILE A 86 -242.172 -15.769 113.268 1.00 0.00 N ATOM 1382 CA ILE A 86 -242.377 -16.756 112.218 1.00 0.00 C ATOM 1383 C ILE A 86 -241.171 -17.660 112.026 1.00 0.00 C ATOM 1384 O ILE A 86 -241.324 -18.845 111.751 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.725 -16.087 110.878 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.556 -15.234 110.373 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -243.968 -15.236 111.050 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -241.764 -14.687 108.979 1.00 0.00 C ATOM 0 H ILE A 86 -242.185 -14.804 112.939 1.00 0.00 H new ATOM 0 HA ILE A 86 -243.216 -17.370 112.546 1.00 0.00 H new ATOM 0 HB ILE A 86 -242.917 -16.861 110.135 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -241.400 -14.403 111.061 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.646 -15.834 110.387 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -244.217 -14.760 110.102 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.799 -15.865 111.370 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -243.783 -14.470 111.803 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -240.897 -14.094 108.688 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -241.890 -15.513 108.279 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -242.655 -14.059 108.964 1.00 0.00 H new ATOM 1400 N MET A 87 -239.974 -17.124 112.189 1.00 0.00 N ATOM 1401 CA MET A 87 -238.779 -17.917 111.971 1.00 0.00 C ATOM 1402 C MET A 87 -238.653 -18.969 113.062 1.00 0.00 C ATOM 1403 O MET A 87 -237.982 -19.983 112.889 1.00 0.00 O ATOM 1404 CB MET A 87 -237.532 -17.031 111.901 1.00 0.00 C ATOM 1405 CG MET A 87 -236.314 -17.744 111.333 1.00 0.00 C ATOM 1406 SD MET A 87 -236.681 -18.647 109.806 1.00 0.00 S ATOM 1407 CE MET A 87 -237.387 -17.356 108.782 1.00 0.00 C ATOM 0 H MET A 87 -239.805 -16.157 112.467 1.00 0.00 H new ATOM 0 HA MET A 87 -238.865 -18.424 111.010 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.751 -16.157 111.288 1.00 0.00 H new ATOM 0 HB3 MET A 87 -237.297 -16.668 112.901 1.00 0.00 H new ATOM 0 HG2 MET A 87 -235.529 -17.014 111.138 1.00 0.00 H new ATOM 0 HG3 MET A 87 -235.925 -18.439 112.077 1.00 0.00 H new ATOM 0 HE1 MET A 87 -238.467 -17.488 108.724 1.00 0.00 H new ATOM 0 HE2 MET A 87 -237.163 -16.382 109.218 1.00 0.00 H new ATOM 0 HE3 MET A 87 -236.960 -17.412 107.781 1.00 0.00 H new ATOM 1417 N GLN A 88 -239.342 -18.743 114.175 1.00 0.00 N ATOM 1418 CA GLN A 88 -239.367 -19.714 115.257 1.00 0.00 C ATOM 1419 C GLN A 88 -240.327 -20.826 114.871 1.00 0.00 C ATOM 1420 O GLN A 88 -240.121 -22.000 115.184 1.00 0.00 O ATOM 1421 CB GLN A 88 -239.816 -19.063 116.565 1.00 0.00 C ATOM 1422 CG GLN A 88 -238.983 -17.856 116.937 1.00 0.00 C ATOM 1423 CD GLN A 88 -239.540 -17.095 118.121 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -240.749 -17.087 118.365 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -238.663 -16.425 118.851 1.00 0.00 N ATOM 0 H GLN A 88 -239.888 -17.899 114.349 1.00 0.00 H new ATOM 0 HA GLN A 88 -238.365 -20.113 115.414 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -240.861 -18.764 116.477 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -239.761 -19.798 117.368 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -237.967 -18.179 117.165 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -238.920 -17.187 116.079 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -237.671 -16.458 118.615 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -238.979 -15.875 119.650 1.00 0.00 H new ATOM 1434 N ILE A 89 -241.373 -20.417 114.168 1.00 0.00 N ATOM 1435 CA ILE A 89 -242.389 -21.326 113.661 1.00 0.00 C ATOM 1436 C ILE A 89 -241.810 -22.275 112.619 1.00 0.00 C ATOM 1437 O ILE A 89 -241.953 -23.492 112.723 1.00 0.00 O ATOM 1438 CB ILE A 89 -243.537 -20.535 113.029 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -243.984 -19.444 113.996 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -244.693 -21.454 112.663 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -244.367 -19.948 115.370 1.00 0.00 C ATOM 0 H ILE A 89 -241.541 -19.439 113.932 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.759 -21.910 114.504 1.00 0.00 H new ATOM 0 HB ILE A 89 -243.190 -20.071 112.106 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -243.180 -18.716 114.100 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.836 -18.919 113.564 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -245.496 -20.868 112.216 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -244.350 -22.204 111.950 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -245.062 -21.950 113.561 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.672 -19.108 115.994 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -245.193 -20.653 115.282 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -243.512 -20.447 115.826 1.00 0.00 H new ATOM 1453 N LEU A 90 -241.126 -21.702 111.626 1.00 0.00 N ATOM 1454 CA LEU A 90 -240.526 -22.490 110.554 1.00 0.00 C ATOM 1455 C LEU A 90 -239.444 -23.420 111.090 1.00 0.00 C ATOM 1456 O LEU A 90 -239.295 -24.539 110.614 1.00 0.00 O ATOM 1457 CB LEU A 90 -239.946 -21.584 109.457 1.00 0.00 C ATOM 1458 CG LEU A 90 -240.956 -21.032 108.438 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -241.816 -22.147 107.870 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -241.834 -19.955 109.047 1.00 0.00 C ATOM 0 H LEU A 90 -240.976 -20.696 111.545 1.00 0.00 H new ATOM 0 HA LEU A 90 -241.318 -23.098 110.118 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -239.445 -20.742 109.935 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -239.183 -22.144 108.916 1.00 0.00 H new ATOM 0 HG LEU A 90 -240.383 -20.582 107.628 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -242.523 -21.731 107.152 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -241.180 -22.879 107.372 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -242.363 -22.632 108.678 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -242.535 -19.589 108.296 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -242.388 -20.370 109.889 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -241.211 -19.131 109.394 1.00 0.00 H new ATOM 1472 N SER A 91 -238.707 -22.968 112.097 1.00 0.00 N ATOM 1473 CA SER A 91 -237.653 -23.785 112.696 1.00 0.00 C ATOM 1474 C SER A 91 -238.244 -24.934 113.518 1.00 0.00 C ATOM 1475 O SER A 91 -237.517 -25.779 114.035 1.00 0.00 O ATOM 1476 CB SER A 91 -236.747 -22.921 113.573 1.00 0.00 C ATOM 1477 OG SER A 91 -236.172 -21.861 112.825 1.00 0.00 O ATOM 0 H SER A 91 -238.817 -22.045 112.516 1.00 0.00 H new ATOM 0 HA SER A 91 -237.061 -24.216 111.889 1.00 0.00 H new ATOM 0 HB2 SER A 91 -237.322 -22.513 114.405 1.00 0.00 H new ATOM 0 HB3 SER A 91 -235.957 -23.537 114.003 1.00 0.00 H new ATOM 0 HG SER A 91 -236.877 -21.244 112.538 1.00 0.00 H new ATOM 1658 N ILE A 103 -248.925 -20.938 106.157 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.194 -19.626 106.720 1.00 0.00 C ATOM 1660 C ILE A 103 -250.336 -18.965 105.964 1.00 0.00 C ATOM 1661 O ILE A 103 -250.322 -18.900 104.737 1.00 0.00 O ATOM 1662 CB ILE A 103 -247.955 -18.705 106.708 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -246.903 -19.223 107.693 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.346 -17.265 107.040 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -245.780 -18.244 107.955 1.00 0.00 C ATOM 0 HA ILE A 103 -249.471 -19.776 107.764 1.00 0.00 H new ATOM 0 HB ILE A 103 -247.526 -18.713 105.706 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -247.390 -19.464 108.638 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -246.481 -20.151 107.306 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -247.457 -16.634 107.026 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.060 -16.902 106.301 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -248.800 -17.230 108.030 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.074 -18.681 108.662 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.266 -18.021 107.020 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.189 -17.324 108.372 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.323 -18.485 106.697 1.00 0.00 N ATOM 1678 CA VAL A 104 -252.479 -17.861 106.110 1.00 0.00 C ATOM 1679 C VAL A 104 -252.607 -16.442 106.597 1.00 0.00 C ATOM 1680 O VAL A 104 -252.675 -16.189 107.798 1.00 0.00 O ATOM 1681 CB VAL A 104 -253.779 -18.620 106.431 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -253.988 -19.771 105.467 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -253.772 -19.116 107.852 1.00 0.00 C ATOM 0 H VAL A 104 -251.340 -18.520 107.716 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.334 -17.879 105.030 1.00 0.00 H new ATOM 0 HB VAL A 104 -254.610 -17.924 106.315 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -254.913 -20.291 105.716 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -254.050 -19.386 104.449 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -253.151 -20.465 105.542 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -254.701 -19.649 108.056 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -252.927 -19.789 107.998 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -253.683 -18.269 108.533 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.587 -15.520 105.662 1.00 0.00 N ATOM 1694 CA LEU A 105 -252.890 -14.149 105.964 1.00 0.00 C ATOM 1695 C LEU A 105 -254.352 -14.064 106.349 1.00 0.00 C ATOM 1696 O LEU A 105 -255.241 -14.225 105.509 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.658 -13.273 104.750 1.00 0.00 C ATOM 1698 CG LEU A 105 -252.406 -11.817 105.072 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -251.136 -11.720 105.891 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -252.316 -10.992 103.792 1.00 0.00 C ATOM 0 H LEU A 105 -252.363 -15.700 104.683 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.247 -13.806 106.774 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.806 -13.663 104.193 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -253.526 -13.343 104.095 1.00 0.00 H new ATOM 0 HG LEU A 105 -253.235 -11.411 105.652 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -250.938 -10.676 106.133 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -251.253 -12.290 106.813 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -250.302 -12.124 105.318 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -252.134 -9.947 104.044 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -251.497 -11.364 103.176 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -253.252 -11.074 103.239 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.588 -13.848 107.610 1.00 0.00 N ATOM 1713 CA LYS A 106 -255.927 -13.728 108.119 1.00 0.00 C ATOM 1714 C LYS A 106 -256.241 -12.255 108.341 1.00 0.00 C ATOM 1715 O LYS A 106 -255.405 -11.388 108.076 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.081 -14.513 109.421 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.050 -16.017 109.228 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.244 -16.508 108.423 1.00 0.00 C ATOM 1719 CE LYS A 106 -257.249 -18.025 108.305 1.00 0.00 C ATOM 1720 NZ LYS A 106 -258.482 -18.535 107.654 1.00 0.00 N ATOM 0 H LYS A 106 -253.859 -13.750 108.317 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.628 -14.144 107.396 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.283 -14.226 110.106 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.023 -14.235 109.895 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.128 -16.299 108.720 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -256.041 -16.508 110.201 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -258.167 -16.176 108.899 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -257.221 -16.064 107.428 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -256.379 -18.346 107.732 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -257.156 -18.465 109.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -258.440 -19.573 107.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -259.312 -18.253 108.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -258.559 -18.137 106.696 1.00 0.00 H new ATOM 1734 N THR A 107 -257.423 -11.973 108.845 1.00 0.00 N ATOM 1735 CA THR A 107 -257.833 -10.632 109.125 1.00 0.00 C ATOM 1736 C THR A 107 -258.240 -10.585 110.581 1.00 0.00 C ATOM 1737 O THR A 107 -258.611 -11.609 111.154 1.00 0.00 O ATOM 1738 CB THR A 107 -259.032 -10.199 108.249 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.168 -11.034 108.516 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.689 -10.282 106.768 1.00 0.00 C ATOM 0 H THR A 107 -258.124 -12.679 109.070 1.00 0.00 H new ATOM 0 HA THR A 107 -257.010 -9.951 108.907 1.00 0.00 H new ATOM 0 HB THR A 107 -259.268 -9.164 108.498 1.00 0.00 H new ATOM 0 HG1 THR A 107 -260.921 -10.750 107.957 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.551 -9.972 106.177 1.00 0.00 H new ATOM 0 HG22 THR A 107 -257.846 -9.626 106.552 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.424 -11.308 106.513 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.176 -9.421 111.165 1.00 0.00 N ATOM 1749 CA GLN A 108 -258.618 -9.201 112.542 1.00 0.00 C ATOM 1750 C GLN A 108 -260.151 -9.181 112.593 1.00 0.00 C ATOM 1751 O GLN A 108 -260.776 -8.425 113.335 1.00 0.00 O ATOM 1752 CB GLN A 108 -258.019 -7.891 113.057 1.00 0.00 C ATOM 1753 CG GLN A 108 -258.176 -7.658 114.547 1.00 0.00 C ATOM 1754 CD GLN A 108 -257.602 -8.783 115.390 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -258.133 -9.103 116.454 1.00 0.00 O ATOM 1756 NE2 GLN A 108 -256.495 -9.367 114.953 1.00 0.00 N ATOM 0 H GLN A 108 -257.816 -8.583 110.708 1.00 0.00 H new ATOM 0 HA GLN A 108 -258.274 -10.011 113.185 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -256.957 -7.873 112.811 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -258.484 -7.062 112.524 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -257.684 -6.723 114.816 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -259.234 -7.540 114.781 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -256.081 -9.077 114.067 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -256.057 -10.106 115.503 1.00 0.00 H new