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 26:sc= 0.425 USER MOD Single : A 10 HIS : no HD1:sc=-0.00528 X(o=-0.0053,f=-0.0049) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 15 HIS : no HD1:sc= -0.0639 X(o=-0.064,f=-0.43) 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= -0.109 K(o=-0.11,f=-1.5) USER MOD Single : A 32 THR OG1 : rot 39:sc= -4.03! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.419 K(o=-0.42,f=-1) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.783 F(o=-2.5,f=-0.78) USER MOD Single : A 43 THR OG1 : rot 38:sc= 0.884 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.55 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -173:sc= -2.82 (180deg=-3.01!) USER MOD Single : A 87 MET CE :methyl 139:sc= -2.84! (180deg=-5.52!) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 91 SER OG : rot 74:sc= 1.28 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= 0.129 X(o=0.13,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -231.833 -12.699 104.850 1.00 0.00 N ATOM 134 CA THR A 9 -233.088 -12.504 104.151 1.00 0.00 C ATOM 135 C THR A 9 -233.689 -13.857 103.770 1.00 0.00 C ATOM 136 O THR A 9 -233.082 -14.637 103.037 1.00 0.00 O ATOM 137 CB THR A 9 -232.880 -11.657 102.877 1.00 0.00 C ATOM 138 OG1 THR A 9 -231.921 -12.285 102.015 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.400 -10.257 103.226 1.00 0.00 C ATOM 0 HA THR A 9 -233.770 -11.975 104.816 1.00 0.00 H new ATOM 0 HB THR A 9 -233.839 -11.583 102.365 1.00 0.00 H new ATOM 0 HG1 THR A 9 -231.917 -13.251 102.179 1.00 0.00 H new ATOM 0 HG21 THR A 9 -232.261 -9.681 102.311 1.00 0.00 H new ATOM 0 HG22 THR A 9 -233.141 -9.765 103.856 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.453 -10.320 103.762 1.00 0.00 H new ATOM 147 N HIS A 10 -234.861 -14.156 104.302 1.00 0.00 N ATOM 148 CA HIS A 10 -235.537 -15.413 103.997 1.00 0.00 C ATOM 149 C HIS A 10 -236.962 -15.147 103.551 1.00 0.00 C ATOM 150 O HIS A 10 -237.649 -14.318 104.121 1.00 0.00 O ATOM 151 CB HIS A 10 -235.542 -16.356 105.205 1.00 0.00 C ATOM 152 CG HIS A 10 -234.188 -16.880 105.596 1.00 0.00 C ATOM 153 ND1 HIS A 10 -233.844 -18.211 105.509 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.094 -16.248 106.086 1.00 0.00 C ATOM 155 CE1 HIS A 10 -232.604 -18.375 105.926 1.00 0.00 C ATOM 156 NE2 HIS A 10 -232.127 -17.201 106.280 1.00 0.00 N ATOM 0 H HIS A 10 -235.367 -13.549 104.947 1.00 0.00 H new ATOM 0 HA HIS A 10 -234.987 -15.897 103.190 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -235.974 -15.831 106.057 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.195 -17.201 104.987 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -233.001 -15.191 106.286 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -232.071 -19.313 105.970 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.189 -17.028 106.641 1.00 0.00 H new ATOM 165 N ARG A 11 -237.391 -15.836 102.524 1.00 0.00 N ATOM 166 CA ARG A 11 -238.711 -15.650 101.992 1.00 0.00 C ATOM 167 C ARG A 11 -239.709 -16.604 102.632 1.00 0.00 C ATOM 168 O ARG A 11 -239.386 -17.758 102.914 1.00 0.00 O ATOM 169 CB ARG A 11 -238.667 -15.840 100.498 1.00 0.00 C ATOM 170 CG ARG A 11 -239.454 -14.773 99.808 1.00 0.00 C ATOM 171 CD ARG A 11 -239.042 -14.609 98.364 1.00 0.00 C ATOM 172 NE ARG A 11 -239.283 -15.815 97.565 1.00 0.00 N ATOM 173 CZ ARG A 11 -240.012 -15.837 96.447 1.00 0.00 C ATOM 174 NH1 ARG A 11 -240.630 -14.739 96.033 1.00 0.00 N ATOM 175 NH2 ARG A 11 -240.138 -16.963 95.753 1.00 0.00 N ATOM 0 H ARG A 11 -236.835 -16.539 102.037 1.00 0.00 H new ATOM 0 HA ARG A 11 -239.047 -14.639 102.222 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.633 -15.817 100.153 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.068 -16.820 100.239 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.515 -15.017 99.857 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.320 -13.827 100.333 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -239.589 -13.774 97.927 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -237.983 -14.354 98.319 1.00 0.00 H new ATOM 0 HE ARG A 11 -238.868 -16.691 97.883 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -240.549 -13.875 96.569 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -241.186 -14.758 95.178 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -239.677 -17.814 96.074 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -240.696 -16.976 94.899 1.00 0.00 H new ATOM 189 N VAL A 12 -240.921 -16.118 102.848 1.00 0.00 N ATOM 190 CA VAL A 12 -241.965 -16.902 103.493 1.00 0.00 C ATOM 191 C VAL A 12 -243.248 -16.873 102.655 1.00 0.00 C ATOM 192 O VAL A 12 -243.775 -15.803 102.342 1.00 0.00 O ATOM 193 CB VAL A 12 -242.225 -16.394 104.935 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.355 -14.878 104.964 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.460 -17.053 105.534 1.00 0.00 C ATOM 0 H VAL A 12 -241.209 -15.176 102.584 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.629 -17.936 103.563 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.366 -16.672 105.545 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.537 -14.548 105.987 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.434 -14.427 104.595 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.188 -14.572 104.331 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.618 -16.678 106.545 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.330 -16.820 104.920 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.317 -18.133 105.566 1.00 0.00 H new ATOM 205 N THR A 13 -243.719 -18.050 102.252 1.00 0.00 N ATOM 206 CA THR A 13 -244.868 -18.149 101.362 1.00 0.00 C ATOM 207 C THR A 13 -246.157 -17.847 102.130 1.00 0.00 C ATOM 208 O THR A 13 -246.427 -18.465 103.161 1.00 0.00 O ATOM 209 CB THR A 13 -244.997 -19.567 100.774 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.728 -20.008 100.271 1.00 0.00 O ATOM 211 CG2 THR A 13 -246.043 -19.592 99.661 1.00 0.00 C ATOM 0 H THR A 13 -243.321 -18.948 102.529 1.00 0.00 H new ATOM 0 HA THR A 13 -244.717 -17.429 100.558 1.00 0.00 H new ATOM 0 HB THR A 13 -245.319 -20.244 101.565 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.819 -20.911 99.901 1.00 0.00 H new ATOM 0 HG21 THR A 13 -246.121 -20.602 99.257 1.00 0.00 H new ATOM 0 HG22 THR A 13 -247.009 -19.286 100.063 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.747 -18.906 98.868 1.00 0.00 H new ATOM 219 N VAL A 14 -246.950 -16.917 101.636 1.00 0.00 N ATOM 220 CA VAL A 14 -248.179 -16.531 102.311 1.00 0.00 C ATOM 221 C VAL A 14 -249.404 -16.817 101.435 1.00 0.00 C ATOM 222 O VAL A 14 -249.420 -16.503 100.246 1.00 0.00 O ATOM 223 CB VAL A 14 -248.098 -15.042 102.723 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.448 -14.476 103.138 1.00 0.00 C ATOM 225 CG2 VAL A 14 -247.091 -14.884 103.849 1.00 0.00 C ATOM 0 H VAL A 14 -246.767 -16.412 100.769 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.294 -17.130 103.214 1.00 0.00 H new ATOM 0 HB VAL A 14 -247.775 -14.474 101.850 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.333 -13.429 103.417 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.147 -14.555 102.306 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.832 -15.038 103.989 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -247.033 -13.835 104.140 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -247.405 -15.482 104.705 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -246.111 -15.222 103.511 1.00 0.00 H new ATOM 235 N HIS A 15 -250.413 -17.456 102.027 1.00 0.00 N ATOM 236 CA HIS A 15 -251.626 -17.852 101.305 1.00 0.00 C ATOM 237 C HIS A 15 -252.744 -16.829 101.467 1.00 0.00 C ATOM 238 O HIS A 15 -253.687 -16.797 100.681 1.00 0.00 O ATOM 239 CB HIS A 15 -252.109 -19.219 101.806 1.00 0.00 C ATOM 240 CG HIS A 15 -251.541 -20.371 101.041 1.00 0.00 C ATOM 241 ND1 HIS A 15 -252.146 -20.912 99.925 1.00 0.00 N ATOM 242 CD2 HIS A 15 -250.406 -21.083 101.232 1.00 0.00 C ATOM 243 CE1 HIS A 15 -251.404 -21.903 99.465 1.00 0.00 C ATOM 244 NE2 HIS A 15 -250.345 -22.025 100.240 1.00 0.00 N ATOM 0 H HIS A 15 -250.415 -17.713 103.014 1.00 0.00 H new ATOM 0 HA HIS A 15 -251.373 -17.909 100.246 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -251.844 -19.326 102.858 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -253.197 -19.255 101.746 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -249.683 -20.936 102.020 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -251.627 -22.510 98.600 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -249.600 -22.711 100.120 1.00 0.00 H new ATOM 253 N GLY A 16 -252.628 -15.987 102.475 1.00 0.00 N ATOM 254 CA GLY A 16 -253.696 -15.046 102.774 1.00 0.00 C ATOM 255 C GLY A 16 -253.385 -13.643 102.300 1.00 0.00 C ATOM 256 O GLY A 16 -253.891 -12.665 102.846 1.00 0.00 O ATOM 0 H GLY A 16 -251.819 -15.932 103.094 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.618 -15.388 102.305 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -253.872 -15.032 103.850 1.00 0.00 H new ATOM 260 N VAL A 17 -252.558 -13.550 101.272 1.00 0.00 N ATOM 261 CA VAL A 17 -252.051 -12.275 100.800 1.00 0.00 C ATOM 262 C VAL A 17 -253.164 -11.368 100.266 1.00 0.00 C ATOM 263 O VAL A 17 -254.221 -11.839 99.844 1.00 0.00 O ATOM 264 CB VAL A 17 -250.990 -12.481 99.698 1.00 0.00 C ATOM 265 CG1 VAL A 17 -249.962 -13.502 100.125 1.00 0.00 C ATOM 266 CG2 VAL A 17 -251.630 -12.884 98.376 1.00 0.00 C ATOM 0 H VAL A 17 -252.221 -14.354 100.743 1.00 0.00 H new ATOM 0 HA VAL A 17 -251.597 -11.784 101.661 1.00 0.00 H new ATOM 0 HB VAL A 17 -250.485 -11.527 99.546 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.225 -13.630 99.332 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -249.464 -13.159 101.032 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.454 -14.455 100.320 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -250.854 -13.021 97.623 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -252.177 -13.817 98.506 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -252.317 -12.103 98.051 1.00 0.00 H new ATOM 326 N PRO A 22 -252.778 -16.088 94.663 1.00 0.00 N ATOM 327 CA PRO A 22 -253.464 -16.921 95.644 1.00 0.00 C ATOM 328 C PRO A 22 -252.542 -17.253 96.789 1.00 0.00 C ATOM 329 O PRO A 22 -252.943 -17.395 97.944 1.00 0.00 O ATOM 330 CB PRO A 22 -253.799 -18.190 94.863 1.00 0.00 C ATOM 331 CG PRO A 22 -253.145 -18.048 93.524 1.00 0.00 C ATOM 332 CD PRO A 22 -252.227 -16.882 93.568 1.00 0.00 C ATOM 0 HA PRO A 22 -254.339 -16.434 96.074 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -253.431 -19.074 95.383 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -254.877 -18.308 94.758 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -252.594 -18.955 93.274 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -253.898 -17.908 92.748 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -251.198 -17.183 93.763 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -252.225 -16.331 92.628 1.00 0.00 H new ATOM 340 N PHE A 23 -251.299 -17.393 96.413 1.00 0.00 N ATOM 341 CA PHE A 23 -250.208 -17.609 97.345 1.00 0.00 C ATOM 342 C PHE A 23 -248.956 -16.969 96.781 1.00 0.00 C ATOM 343 O PHE A 23 -248.619 -17.164 95.615 1.00 0.00 O ATOM 344 CB PHE A 23 -249.985 -19.108 97.617 1.00 0.00 C ATOM 345 CG PHE A 23 -249.575 -19.916 96.414 1.00 0.00 C ATOM 346 CD1 PHE A 23 -250.516 -20.348 95.494 1.00 0.00 C ATOM 347 CD2 PHE A 23 -248.242 -20.251 96.208 1.00 0.00 C ATOM 348 CE1 PHE A 23 -250.140 -21.094 94.394 1.00 0.00 C ATOM 349 CE2 PHE A 23 -247.861 -20.998 95.110 1.00 0.00 C ATOM 350 CZ PHE A 23 -248.812 -21.419 94.202 1.00 0.00 C ATOM 0 H PHE A 23 -251.004 -17.361 95.437 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.458 -17.150 98.301 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -249.219 -19.213 98.385 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.904 -19.529 98.024 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -251.557 -20.098 95.639 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -247.494 -19.923 96.915 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -250.885 -21.423 93.684 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -246.822 -21.252 94.962 1.00 0.00 H new ATOM 0 HZ PHE A 23 -248.517 -22.002 93.342 1.00 0.00 H new ATOM 360 N THR A 24 -248.293 -16.172 97.588 1.00 0.00 N ATOM 361 CA THR A 24 -247.085 -15.511 97.151 1.00 0.00 C ATOM 362 C THR A 24 -246.137 -15.331 98.329 1.00 0.00 C ATOM 363 O THR A 24 -246.563 -15.230 99.477 1.00 0.00 O ATOM 364 CB THR A 24 -247.397 -14.165 96.457 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.203 -13.566 95.949 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.090 -13.197 97.393 1.00 0.00 C ATOM 0 H THR A 24 -248.569 -15.966 98.548 1.00 0.00 H new ATOM 0 HA THR A 24 -246.593 -16.140 96.409 1.00 0.00 H new ATOM 0 HB THR A 24 -248.071 -14.384 95.629 1.00 0.00 H new ATOM 0 HG1 THR A 24 -246.423 -12.717 95.513 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.292 -12.264 96.867 1.00 0.00 H new ATOM 0 HG22 THR A 24 -249.029 -13.631 97.735 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.448 -12.998 98.251 1.00 0.00 H new ATOM 374 N VAL A 25 -244.855 -15.319 98.030 1.00 0.00 N ATOM 375 CA VAL A 25 -243.816 -15.402 99.043 1.00 0.00 C ATOM 376 C VAL A 25 -243.044 -14.084 99.116 1.00 0.00 C ATOM 377 O VAL A 25 -242.550 -13.598 98.096 1.00 0.00 O ATOM 378 CB VAL A 25 -242.846 -16.538 98.669 1.00 0.00 C ATOM 379 CG1 VAL A 25 -241.953 -16.936 99.818 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.593 -17.737 98.110 1.00 0.00 C ATOM 0 H VAL A 25 -244.500 -15.251 97.076 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.273 -15.599 100.013 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.194 -16.150 97.886 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.289 -17.740 99.501 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.359 -16.077 100.132 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.565 -17.278 100.653 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -242.882 -18.522 97.855 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.293 -18.110 98.857 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.141 -17.440 97.216 1.00 0.00 H new ATOM 390 N PHE A 26 -242.940 -13.499 100.303 1.00 0.00 N ATOM 391 CA PHE A 26 -242.215 -12.233 100.455 1.00 0.00 C ATOM 392 C PHE A 26 -240.966 -12.426 101.283 1.00 0.00 C ATOM 393 O PHE A 26 -240.943 -13.232 102.216 1.00 0.00 O ATOM 394 CB PHE A 26 -243.083 -11.136 101.071 1.00 0.00 C ATOM 395 CG PHE A 26 -244.401 -10.954 100.378 1.00 0.00 C ATOM 396 CD1 PHE A 26 -245.511 -11.694 100.753 1.00 0.00 C ATOM 397 CD2 PHE A 26 -244.525 -10.041 99.345 1.00 0.00 C ATOM 398 CE1 PHE A 26 -246.720 -11.522 100.110 1.00 0.00 C ATOM 399 CE2 PHE A 26 -245.731 -9.864 98.697 1.00 0.00 C ATOM 400 CZ PHE A 26 -246.831 -10.605 99.080 1.00 0.00 C ATOM 0 H PHE A 26 -243.340 -13.870 101.165 1.00 0.00 H new ATOM 0 HA PHE A 26 -241.936 -11.910 99.452 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.263 -11.372 102.120 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.535 -10.194 101.046 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -245.429 -12.412 101.556 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -243.667 -9.459 99.042 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -247.579 -12.103 100.411 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -245.814 -9.148 97.893 1.00 0.00 H new ATOM 0 HZ PHE A 26 -247.777 -10.469 98.576 1.00 0.00 H new ATOM 410 N THR A 27 -239.924 -11.697 100.926 1.00 0.00 N ATOM 411 CA THR A 27 -238.630 -11.876 101.545 1.00 0.00 C ATOM 412 C THR A 27 -238.495 -11.014 102.791 1.00 0.00 C ATOM 413 O THR A 27 -238.989 -9.889 102.843 1.00 0.00 O ATOM 414 CB THR A 27 -237.495 -11.539 100.564 1.00 0.00 C ATOM 415 OG1 THR A 27 -237.942 -11.743 99.215 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.290 -12.427 100.830 1.00 0.00 C ATOM 0 H THR A 27 -239.953 -10.974 100.207 1.00 0.00 H new ATOM 0 HA THR A 27 -238.551 -12.925 101.830 1.00 0.00 H new ATOM 0 HB THR A 27 -237.212 -10.496 100.704 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.216 -11.525 98.593 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.493 -12.179 100.129 1.00 0.00 H new ATOM 0 HG22 THR A 27 -235.939 -12.268 101.850 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.573 -13.472 100.702 1.00 0.00 H new ATOM 424 N ILE A 28 -237.833 -11.561 103.794 1.00 0.00 N ATOM 425 CA ILE A 28 -237.614 -10.861 105.043 1.00 0.00 C ATOM 426 C ILE A 28 -236.151 -10.459 105.163 1.00 0.00 C ATOM 427 O ILE A 28 -235.380 -10.674 104.234 1.00 0.00 O ATOM 428 CB ILE A 28 -238.025 -11.738 106.236 1.00 0.00 C ATOM 429 CG1 ILE A 28 -236.984 -12.820 106.515 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.378 -12.373 105.943 1.00 0.00 C ATOM 431 CD1 ILE A 28 -237.303 -13.659 107.723 1.00 0.00 C ATOM 0 H ILE A 28 -237.434 -12.499 103.765 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.231 -9.963 105.051 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.094 -11.111 107.125 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -236.902 -13.469 105.643 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -236.011 -12.350 106.655 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.677 -12.997 106.785 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.121 -11.591 105.789 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.305 -12.986 105.045 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.523 -14.407 107.863 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.356 -13.021 108.605 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -238.261 -14.157 107.577 1.00 0.00 H new ATOM 443 N ASN A 29 -235.774 -9.884 106.295 1.00 0.00 N ATOM 444 CA ASN A 29 -234.398 -9.462 106.519 1.00 0.00 C ATOM 445 C ASN A 29 -234.160 -9.201 108.001 1.00 0.00 C ATOM 446 O ASN A 29 -235.023 -8.652 108.686 1.00 0.00 O ATOM 447 CB ASN A 29 -234.079 -8.201 105.711 1.00 0.00 C ATOM 448 CG ASN A 29 -232.645 -7.737 105.901 1.00 0.00 C ATOM 449 OD1 ASN A 29 -231.747 -8.543 106.157 1.00 0.00 O ATOM 450 ND2 ASN A 29 -232.413 -6.440 105.767 1.00 0.00 N ATOM 0 H ASN A 29 -236.403 -9.698 107.076 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.738 -10.264 106.188 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -234.258 -8.396 104.654 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.759 -7.402 106.007 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -231.466 -6.077 105.876 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -233.181 -5.804 105.555 1.00 0.00 H new ATOM 457 N GLY A 30 -232.995 -9.609 108.489 1.00 0.00 N ATOM 458 CA GLY A 30 -232.617 -9.351 109.869 1.00 0.00 C ATOM 459 C GLY A 30 -233.469 -10.101 110.873 1.00 0.00 C ATOM 460 O GLY A 30 -233.564 -9.703 112.036 1.00 0.00 O ATOM 0 H GLY A 30 -232.297 -10.120 107.948 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.572 -9.628 110.010 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.693 -8.282 110.065 1.00 0.00 H new ATOM 464 N GLY A 31 -234.093 -11.180 110.428 1.00 0.00 N ATOM 465 CA GLY A 31 -234.919 -11.975 111.312 1.00 0.00 C ATOM 466 C GLY A 31 -236.395 -11.696 111.128 1.00 0.00 C ATOM 467 O GLY A 31 -237.149 -12.600 110.789 1.00 0.00 O ATOM 0 H GLY A 31 -234.042 -11.520 109.468 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.727 -13.033 111.131 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.640 -11.772 112.346 1.00 0.00 H new ATOM 471 N THR A 32 -236.781 -10.427 111.319 1.00 0.00 N ATOM 472 CA THR A 32 -238.180 -9.966 111.243 1.00 0.00 C ATOM 473 C THR A 32 -239.166 -10.811 112.044 1.00 0.00 C ATOM 474 O THR A 32 -239.418 -11.974 111.727 1.00 0.00 O ATOM 475 CB THR A 32 -238.712 -9.879 109.809 1.00 0.00 C ATOM 476 OG1 THR A 32 -238.277 -11.005 109.050 1.00 0.00 O ATOM 477 CG2 THR A 32 -238.276 -8.599 109.117 1.00 0.00 C ATOM 0 H THR A 32 -236.123 -9.678 111.534 1.00 0.00 H new ATOM 0 HA THR A 32 -238.125 -8.971 111.685 1.00 0.00 H new ATOM 0 HB THR A 32 -239.800 -9.875 109.869 1.00 0.00 H new ATOM 0 HG1 THR A 32 -238.307 -11.809 109.610 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.676 -8.579 108.103 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.652 -7.739 109.672 1.00 0.00 H new ATOM 0 HG23 THR A 32 -237.187 -8.559 109.079 1.00 0.00 H new ATOM 485 N LYS A 33 -239.764 -10.222 113.065 1.00 0.00 N ATOM 486 CA LYS A 33 -240.889 -10.865 113.708 1.00 0.00 C ATOM 487 C LYS A 33 -242.103 -10.772 112.789 1.00 0.00 C ATOM 488 O LYS A 33 -242.070 -10.082 111.767 1.00 0.00 O ATOM 489 CB LYS A 33 -241.190 -10.246 115.070 1.00 0.00 C ATOM 490 CG LYS A 33 -241.567 -8.796 114.984 1.00 0.00 C ATOM 491 CD LYS A 33 -241.475 -8.106 116.338 1.00 0.00 C ATOM 492 CE LYS A 33 -240.080 -8.211 116.937 1.00 0.00 C ATOM 493 NZ LYS A 33 -240.016 -7.620 118.300 1.00 0.00 N ATOM 0 H LYS A 33 -239.495 -9.320 113.458 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.642 -11.912 113.885 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -242.001 -10.799 115.543 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -240.315 -10.351 115.712 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -240.912 -8.292 114.274 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -242.583 -8.707 114.599 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -241.745 -7.056 116.229 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -242.198 -8.551 117.022 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -239.782 -9.258 116.981 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -239.367 -7.704 116.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -239.050 -7.711 118.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -240.276 -6.614 118.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -240.678 -8.121 118.927 1.00 0.00 H new ATOM 507 N ALA A 34 -243.176 -11.425 113.175 1.00 0.00 N ATOM 508 CA ALA A 34 -244.317 -11.632 112.288 1.00 0.00 C ATOM 509 C ALA A 34 -245.044 -10.334 111.936 1.00 0.00 C ATOM 510 O ALA A 34 -245.745 -10.266 110.934 1.00 0.00 O ATOM 511 CB ALA A 34 -245.277 -12.613 112.924 1.00 0.00 C ATOM 0 H ALA A 34 -243.290 -11.828 114.105 1.00 0.00 H new ATOM 0 HA ALA A 34 -243.931 -12.034 111.351 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -246.129 -12.769 112.263 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -244.769 -13.563 113.091 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.625 -12.215 113.877 1.00 0.00 H new ATOM 517 N LYS A 35 -244.878 -9.313 112.759 1.00 0.00 N ATOM 518 CA LYS A 35 -245.611 -8.053 112.578 1.00 0.00 C ATOM 519 C LYS A 35 -244.932 -7.188 111.522 1.00 0.00 C ATOM 520 O LYS A 35 -245.570 -6.723 110.569 1.00 0.00 O ATOM 521 CB LYS A 35 -245.759 -7.309 113.913 1.00 0.00 C ATOM 522 CG LYS A 35 -244.446 -7.050 114.632 1.00 0.00 C ATOM 523 CD LYS A 35 -244.659 -6.569 116.062 1.00 0.00 C ATOM 524 CE LYS A 35 -245.419 -5.253 116.127 1.00 0.00 C ATOM 525 NZ LYS A 35 -245.608 -4.803 117.532 1.00 0.00 N ATOM 0 H LYS A 35 -244.246 -9.323 113.560 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.615 -8.283 112.223 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -246.255 -6.355 113.731 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -246.411 -7.887 114.568 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -243.853 -7.964 114.642 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -243.873 -6.304 114.081 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -245.206 -7.329 116.620 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -243.692 -6.451 116.550 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -244.876 -4.490 115.569 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -246.391 -5.368 115.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -246.129 -3.903 117.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -246.147 -5.521 118.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -244.680 -4.670 117.982 1.00 0.00 H new ATOM 539 N GLN A 36 -243.626 -6.997 111.684 1.00 0.00 N ATOM 540 CA GLN A 36 -242.817 -6.329 110.677 1.00 0.00 C ATOM 541 C GLN A 36 -242.878 -7.131 109.388 1.00 0.00 C ATOM 542 O GLN A 36 -242.646 -6.623 108.294 1.00 0.00 O ATOM 543 CB GLN A 36 -241.366 -6.201 111.154 1.00 0.00 C ATOM 544 CG GLN A 36 -240.470 -5.427 110.199 1.00 0.00 C ATOM 545 CD GLN A 36 -239.054 -5.287 110.719 1.00 0.00 C ATOM 546 OE1 GLN A 36 -238.827 -5.243 111.926 1.00 0.00 O ATOM 547 NE2 GLN A 36 -238.092 -5.213 109.812 1.00 0.00 N ATOM 0 H GLN A 36 -243.106 -7.298 112.508 1.00 0.00 H new ATOM 0 HA GLN A 36 -243.206 -5.325 110.505 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -241.355 -5.709 112.126 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.952 -7.199 111.298 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -240.451 -5.932 109.233 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -240.892 -4.436 110.032 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -238.323 -5.253 108.819 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -237.120 -5.116 110.106 1.00 0.00 H new ATOM 556 N LEU A 37 -243.177 -8.406 109.528 1.00 0.00 N ATOM 557 CA LEU A 37 -243.287 -9.254 108.384 1.00 0.00 C ATOM 558 C LEU A 37 -244.642 -9.191 107.725 1.00 0.00 C ATOM 559 O LEU A 37 -244.751 -9.346 106.512 1.00 0.00 O ATOM 560 CB LEU A 37 -242.929 -10.672 108.737 1.00 0.00 C ATOM 561 CG LEU A 37 -241.960 -11.227 107.745 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.667 -11.405 106.429 1.00 0.00 C ATOM 563 CD2 LEU A 37 -240.837 -10.232 107.570 1.00 0.00 C ATOM 0 H LEU A 37 -243.345 -8.866 110.423 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.573 -8.878 107.651 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.496 -10.706 109.737 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -243.829 -11.286 108.759 1.00 0.00 H new ATOM 0 HG LEU A 37 -241.566 -12.184 108.088 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -241.971 -11.810 105.694 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.503 -12.093 106.555 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -243.040 -10.441 106.083 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -240.117 -10.619 106.848 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.242 -9.287 107.208 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.341 -10.072 108.527 1.00 0.00 H new ATOM 575 N LEU A 38 -245.673 -8.975 108.504 1.00 0.00 N ATOM 576 CA LEU A 38 -246.974 -8.728 107.934 1.00 0.00 C ATOM 577 C LEU A 38 -246.825 -7.588 106.924 1.00 0.00 C ATOM 578 O LEU A 38 -247.343 -7.653 105.815 1.00 0.00 O ATOM 579 CB LEU A 38 -247.975 -8.412 109.057 1.00 0.00 C ATOM 580 CG LEU A 38 -249.447 -8.374 108.654 1.00 0.00 C ATOM 581 CD1 LEU A 38 -249.999 -6.972 108.823 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.631 -8.860 107.221 1.00 0.00 C ATOM 0 H LEU A 38 -245.638 -8.965 109.523 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.365 -9.601 107.412 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.854 -9.156 109.844 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.713 -7.446 109.489 1.00 0.00 H new ATOM 0 HG LEU A 38 -250.002 -9.047 109.308 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -251.049 -6.957 108.533 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.906 -6.668 109.866 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.438 -6.282 108.193 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.688 -8.824 106.957 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -249.066 -8.219 106.544 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -249.271 -9.885 107.135 1.00 0.00 H new ATOM 594 N GLN A 39 -246.023 -6.603 107.296 1.00 0.00 N ATOM 595 CA GLN A 39 -245.591 -5.552 106.430 1.00 0.00 C ATOM 596 C GLN A 39 -244.970 -6.081 105.169 1.00 0.00 C ATOM 597 O GLN A 39 -245.354 -5.692 104.085 1.00 0.00 O ATOM 598 CB GLN A 39 -244.494 -4.834 107.157 1.00 0.00 C ATOM 599 CG GLN A 39 -244.036 -3.618 106.429 1.00 0.00 C ATOM 600 CD GLN A 39 -242.989 -2.816 107.178 1.00 0.00 C ATOM 601 OE1 GLN A 39 -243.314 -1.913 107.950 1.00 0.00 O ATOM 602 NE2 GLN A 39 -241.722 -3.136 106.955 1.00 0.00 N ATOM 0 H GLN A 39 -245.651 -6.523 108.242 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.450 -4.932 106.174 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.844 -4.550 108.150 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.651 -5.510 107.297 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.630 -3.916 105.462 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.896 -2.979 106.230 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -241.493 -3.891 106.308 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -240.976 -2.628 107.430 1.00 0.00 H new ATOM 611 N GLN A 40 -243.971 -6.927 105.334 1.00 0.00 N ATOM 612 CA GLN A 40 -243.254 -7.491 104.207 1.00 0.00 C ATOM 613 C GLN A 40 -244.200 -8.190 103.234 1.00 0.00 C ATOM 614 O GLN A 40 -243.965 -8.212 102.029 1.00 0.00 O ATOM 615 CB GLN A 40 -242.172 -8.445 104.705 1.00 0.00 C ATOM 616 CG GLN A 40 -240.851 -7.747 104.958 1.00 0.00 C ATOM 617 CD GLN A 40 -240.395 -6.977 103.742 1.00 0.00 C ATOM 618 OE1 GLN A 40 -240.849 -7.421 102.583 1.00 0.00 O flip ATOM 619 NE2 GLN A 40 -239.678 -5.982 103.848 1.00 0.00 N flip ATOM 0 H GLN A 40 -243.636 -7.240 106.245 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.779 -6.677 103.660 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.509 -8.922 105.625 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -242.025 -9.237 103.971 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -240.953 -7.067 105.804 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -240.094 -8.483 105.230 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -239.355 -5.682 104.768 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -239.407 -5.458 103.016 1.00 0.00 H new ATOM 628 N ILE A 41 -245.274 -8.731 103.775 1.00 0.00 N ATOM 629 CA ILE A 41 -246.309 -9.387 102.993 1.00 0.00 C ATOM 630 C ILE A 41 -247.226 -8.362 102.337 1.00 0.00 C ATOM 631 O ILE A 41 -247.688 -8.530 101.209 1.00 0.00 O ATOM 632 CB ILE A 41 -247.091 -10.332 103.923 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.383 -11.680 103.992 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.531 -10.514 103.478 1.00 0.00 C ATOM 635 CD1 ILE A 41 -244.876 -11.589 104.125 1.00 0.00 C ATOM 0 H ILE A 41 -245.456 -8.729 104.779 1.00 0.00 H new ATOM 0 HA ILE A 41 -245.858 -9.965 102.186 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.119 -9.878 104.914 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -246.777 -12.241 104.839 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.623 -12.249 103.094 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -249.042 -11.189 104.165 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -249.036 -9.548 103.476 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -248.551 -10.936 102.473 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.453 -12.593 104.167 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -244.466 -11.058 103.265 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.623 -11.050 105.038 1.00 0.00 H new ATOM 647 N LEU A 42 -247.467 -7.298 103.065 1.00 0.00 N ATOM 648 CA LEU A 42 -248.195 -6.145 102.573 1.00 0.00 C ATOM 649 C LEU A 42 -247.396 -5.400 101.527 1.00 0.00 C ATOM 650 O LEU A 42 -247.923 -4.567 100.791 1.00 0.00 O ATOM 651 CB LEU A 42 -248.423 -5.227 103.728 1.00 0.00 C ATOM 652 CG LEU A 42 -249.473 -5.705 104.700 1.00 0.00 C ATOM 653 CD1 LEU A 42 -249.074 -5.324 106.081 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.810 -5.102 104.370 1.00 0.00 C ATOM 0 H LEU A 42 -247.159 -7.204 104.033 1.00 0.00 H new ATOM 0 HA LEU A 42 -249.131 -6.478 102.124 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.483 -5.094 104.263 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -248.715 -4.248 103.348 1.00 0.00 H new ATOM 0 HG LEU A 42 -249.556 -6.789 104.628 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -249.831 -5.668 106.786 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -248.116 -5.785 106.323 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -248.982 -4.240 106.147 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.555 -5.458 105.081 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -250.743 -4.016 104.427 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -251.102 -5.395 103.362 1.00 0.00 H new ATOM 666 N THR A 43 -246.109 -5.686 101.509 1.00 0.00 N ATOM 667 CA THR A 43 -245.175 -4.970 100.687 1.00 0.00 C ATOM 668 C THR A 43 -245.365 -5.354 99.223 1.00 0.00 C ATOM 669 O THR A 43 -244.674 -6.225 98.691 1.00 0.00 O ATOM 670 CB THR A 43 -243.725 -5.243 101.150 1.00 0.00 C ATOM 671 OG1 THR A 43 -243.535 -4.735 102.477 1.00 0.00 O ATOM 672 CG2 THR A 43 -242.698 -4.617 100.227 1.00 0.00 C ATOM 0 H THR A 43 -245.688 -6.427 102.070 1.00 0.00 H new ATOM 0 HA THR A 43 -245.362 -3.901 100.788 1.00 0.00 H new ATOM 0 HB THR A 43 -243.579 -6.323 101.130 1.00 0.00 H new ATOM 0 HG1 THR A 43 -244.348 -4.884 103.004 1.00 0.00 H new ATOM 0 HG21 THR A 43 -241.696 -4.837 100.595 1.00 0.00 H new ATOM 0 HG22 THR A 43 -242.814 -5.026 99.223 1.00 0.00 H new ATOM 0 HG23 THR A 43 -242.845 -3.537 100.198 1.00 0.00 H new ATOM 823 N THR A 53 -253.002 -3.246 109.596 1.00 0.00 N ATOM 824 CA THR A 53 -254.207 -3.158 110.402 1.00 0.00 C ATOM 825 C THR A 53 -254.576 -4.508 111.042 1.00 0.00 C ATOM 826 O THR A 53 -253.701 -5.229 111.521 1.00 0.00 O ATOM 827 CB THR A 53 -255.360 -2.603 109.523 1.00 0.00 C ATOM 828 OG1 THR A 53 -256.524 -2.336 110.314 1.00 0.00 O ATOM 829 CG2 THR A 53 -255.714 -3.560 108.386 1.00 0.00 C ATOM 0 HA THR A 53 -254.027 -2.475 111.232 1.00 0.00 H new ATOM 0 HB THR A 53 -255.007 -1.669 109.085 1.00 0.00 H new ATOM 0 HG1 THR A 53 -257.237 -1.986 109.740 1.00 0.00 H new ATOM 0 HG21 THR A 53 -256.525 -3.137 107.793 1.00 0.00 H new ATOM 0 HG22 THR A 53 -254.841 -3.710 107.751 1.00 0.00 H new ATOM 0 HG23 THR A 53 -256.029 -4.517 108.801 1.00 0.00 H new ATOM 837 N ASP A 54 -255.878 -4.805 111.060 1.00 0.00 N ATOM 838 CA ASP A 54 -256.474 -6.040 111.607 1.00 0.00 C ATOM 839 C ASP A 54 -255.770 -7.332 111.182 1.00 0.00 C ATOM 840 O ASP A 54 -256.081 -8.402 111.695 1.00 0.00 O ATOM 841 CB ASP A 54 -257.921 -6.124 111.124 1.00 0.00 C ATOM 842 CG ASP A 54 -258.832 -5.089 111.750 1.00 0.00 C ATOM 843 OD1 ASP A 54 -258.749 -3.903 111.370 1.00 0.00 O ATOM 844 OD2 ASP A 54 -259.652 -5.457 112.615 1.00 0.00 O ATOM 0 H ASP A 54 -256.580 -4.170 110.680 1.00 0.00 H new ATOM 0 HA ASP A 54 -256.380 -5.970 112.691 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -257.941 -6.005 110.041 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -258.311 -7.118 111.343 1.00 0.00 H new ATOM 849 N TYR A 55 -254.848 -7.243 110.248 1.00 0.00 N ATOM 850 CA TYR A 55 -254.227 -8.425 109.670 1.00 0.00 C ATOM 851 C TYR A 55 -253.289 -9.128 110.644 1.00 0.00 C ATOM 852 O TYR A 55 -252.588 -8.488 111.430 1.00 0.00 O ATOM 853 CB TYR A 55 -253.434 -8.040 108.431 1.00 0.00 C ATOM 854 CG TYR A 55 -254.256 -7.422 107.337 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.531 -7.882 107.058 1.00 0.00 C ATOM 856 CD2 TYR A 55 -253.754 -6.375 106.582 1.00 0.00 C ATOM 857 CE1 TYR A 55 -256.288 -7.319 106.058 1.00 0.00 C ATOM 858 CE2 TYR A 55 -254.501 -5.802 105.575 1.00 0.00 C ATOM 859 CZ TYR A 55 -255.772 -6.279 105.316 1.00 0.00 C ATOM 860 OH TYR A 55 -256.529 -5.712 104.317 1.00 0.00 O ATOM 0 H TYR A 55 -254.507 -6.360 109.868 1.00 0.00 H new ATOM 0 HA TYR A 55 -255.035 -9.112 109.418 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -252.650 -7.340 108.719 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -252.940 -8.929 108.040 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -255.939 -8.698 107.636 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -252.761 -6.001 106.785 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -257.282 -7.690 105.855 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -254.096 -4.987 104.993 1.00 0.00 H new ATOM 0 HH TYR A 55 -256.021 -4.991 103.891 1.00 0.00 H new ATOM 870 N PHE A 56 -253.284 -10.449 110.567 1.00 0.00 N ATOM 871 CA PHE A 56 -252.299 -11.274 111.247 1.00 0.00 C ATOM 872 C PHE A 56 -252.144 -12.572 110.467 1.00 0.00 C ATOM 873 O PHE A 56 -252.930 -12.847 109.576 1.00 0.00 O ATOM 874 CB PHE A 56 -252.681 -11.547 112.712 1.00 0.00 C ATOM 875 CG PHE A 56 -253.950 -12.336 112.900 1.00 0.00 C ATOM 876 CD1 PHE A 56 -255.176 -11.696 112.964 1.00 0.00 C ATOM 877 CD2 PHE A 56 -253.911 -13.718 113.028 1.00 0.00 C ATOM 878 CE1 PHE A 56 -256.341 -12.415 113.147 1.00 0.00 C ATOM 879 CE2 PHE A 56 -255.076 -14.442 113.208 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.291 -13.789 113.268 1.00 0.00 C ATOM 0 H PHE A 56 -253.967 -10.982 110.028 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.349 -10.741 111.279 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -251.862 -12.083 113.192 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.783 -10.593 113.229 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -255.222 -10.621 112.870 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -252.962 -14.233 112.987 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -257.290 -11.902 113.195 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -255.035 -15.517 113.302 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.201 -14.353 113.409 1.00 0.00 H new ATOM 890 N LEU A 57 -251.154 -13.372 110.803 1.00 0.00 N ATOM 891 CA LEU A 57 -250.849 -14.577 110.033 1.00 0.00 C ATOM 892 C LEU A 57 -251.443 -15.743 110.770 1.00 0.00 C ATOM 893 O LEU A 57 -251.879 -15.580 111.894 1.00 0.00 O ATOM 894 CB LEU A 57 -249.331 -14.810 109.883 1.00 0.00 C ATOM 895 CG LEU A 57 -248.518 -13.719 109.172 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.739 -12.389 109.841 1.00 0.00 C ATOM 897 CD2 LEU A 57 -247.038 -14.062 109.180 1.00 0.00 C ATOM 0 H LEU A 57 -250.542 -13.216 111.604 1.00 0.00 H new ATOM 0 HA LEU A 57 -251.263 -14.465 109.031 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.911 -14.948 110.879 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -249.185 -15.745 109.343 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.855 -13.659 108.137 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -248.157 -11.623 109.328 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.797 -12.131 109.798 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.423 -12.448 110.882 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.480 -13.276 108.671 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.690 -14.146 110.209 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.881 -15.010 108.665 1.00 0.00 H new ATOM 909 N MET A 58 -251.508 -16.895 110.138 1.00 0.00 N ATOM 910 CA MET A 58 -251.901 -18.116 110.825 1.00 0.00 C ATOM 911 C MET A 58 -251.288 -19.295 110.107 1.00 0.00 C ATOM 912 O MET A 58 -251.091 -19.237 108.902 1.00 0.00 O ATOM 913 CB MET A 58 -253.421 -18.303 110.851 1.00 0.00 C ATOM 914 CG MET A 58 -254.217 -17.119 111.377 1.00 0.00 C ATOM 915 SD MET A 58 -255.927 -17.554 111.723 1.00 0.00 S ATOM 916 CE MET A 58 -256.083 -18.936 110.611 1.00 0.00 C ATOM 0 H MET A 58 -251.294 -17.016 109.148 1.00 0.00 H new ATOM 0 HA MET A 58 -251.551 -18.046 111.855 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.760 -18.525 109.839 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.652 -19.175 111.463 1.00 0.00 H new ATOM 0 HG2 MET A 58 -253.748 -16.743 112.286 1.00 0.00 H new ATOM 0 HG3 MET A 58 -254.190 -16.311 110.646 1.00 0.00 H new ATOM 0 HE1 MET A 58 -257.120 -19.270 110.589 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.777 -18.633 109.609 1.00 0.00 H new ATOM 0 HE3 MET A 58 -255.447 -19.752 110.953 1.00 0.00 H new ATOM 926 N GLU A 59 -250.980 -20.348 110.829 1.00 0.00 N ATOM 927 CA GLU A 59 -250.495 -21.563 110.208 1.00 0.00 C ATOM 928 C GLU A 59 -251.260 -22.751 110.772 1.00 0.00 C ATOM 929 O GLU A 59 -251.172 -23.072 111.953 1.00 0.00 O ATOM 930 CB GLU A 59 -248.972 -21.703 110.368 1.00 0.00 C ATOM 931 CG GLU A 59 -248.465 -21.705 111.802 1.00 0.00 C ATOM 932 CD GLU A 59 -248.030 -23.083 112.255 1.00 0.00 C ATOM 933 OE1 GLU A 59 -247.611 -23.895 111.396 1.00 0.00 O ATOM 934 OE2 GLU A 59 -248.085 -23.363 113.470 1.00 0.00 O ATOM 0 H GLU A 59 -251.056 -20.390 111.845 1.00 0.00 H new ATOM 0 HA GLU A 59 -250.676 -21.524 109.134 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -248.657 -22.629 109.888 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -248.490 -20.886 109.831 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -247.626 -21.014 111.890 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -249.250 -21.338 112.463 1.00 0.00 H new ATOM 1262 N ARG A 78 -253.803 -22.526 114.585 1.00 0.00 N ATOM 1263 CA ARG A 78 -252.665 -21.812 115.132 1.00 0.00 C ATOM 1264 C ARG A 78 -252.543 -20.444 114.474 1.00 0.00 C ATOM 1265 O ARG A 78 -252.194 -20.329 113.301 1.00 0.00 O ATOM 1266 CB ARG A 78 -251.390 -22.636 114.928 1.00 0.00 C ATOM 1267 CG ARG A 78 -250.145 -22.061 115.589 1.00 0.00 C ATOM 1268 CD ARG A 78 -250.231 -22.093 117.110 1.00 0.00 C ATOM 1269 NE ARG A 78 -250.786 -20.858 117.663 1.00 0.00 N ATOM 1270 CZ ARG A 78 -250.044 -19.915 118.242 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -248.742 -20.100 118.404 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -250.604 -18.794 118.676 1.00 0.00 N ATOM 0 HA ARG A 78 -252.810 -21.662 116.202 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -251.558 -23.641 115.315 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -251.204 -22.733 113.858 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -249.271 -22.625 115.265 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -250.002 -21.033 115.257 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -250.849 -22.936 117.419 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -249.236 -22.259 117.524 1.00 0.00 H new ATOM 0 HE ARG A 78 -251.794 -20.711 117.602 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -248.306 -20.965 118.085 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -248.175 -19.377 118.847 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -251.608 -18.650 118.567 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -250.031 -18.076 119.118 1.00 0.00 H new ATOM 1286 N ALA A 79 -252.846 -19.411 115.239 1.00 0.00 N ATOM 1287 CA ALA A 79 -252.813 -18.048 114.737 1.00 0.00 C ATOM 1288 C ALA A 79 -251.485 -17.380 115.095 1.00 0.00 C ATOM 1289 O ALA A 79 -250.945 -17.598 116.174 1.00 0.00 O ATOM 1290 CB ALA A 79 -253.973 -17.247 115.311 1.00 0.00 C ATOM 0 H ALA A 79 -253.120 -19.491 116.218 1.00 0.00 H new ATOM 0 HA ALA A 79 -252.908 -18.076 113.652 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -253.937 -16.228 114.927 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -254.915 -17.711 115.019 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -253.899 -17.228 116.398 1.00 0.00 H new ATOM 1296 N ILE A 80 -250.970 -16.577 114.188 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.710 -15.872 114.381 1.00 0.00 C ATOM 1298 C ILE A 80 -249.887 -14.571 115.152 1.00 0.00 C ATOM 1299 O ILE A 80 -250.598 -13.664 114.716 1.00 0.00 O ATOM 1300 CB ILE A 80 -249.017 -15.586 113.033 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.384 -16.866 112.491 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -247.967 -14.493 113.174 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.310 -17.424 113.396 1.00 0.00 C ATOM 0 H ILE A 80 -251.413 -16.391 113.288 1.00 0.00 H new ATOM 0 HA ILE A 80 -249.078 -16.532 114.975 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.771 -15.234 112.329 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -249.161 -17.618 112.352 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -247.955 -16.665 111.509 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -247.496 -14.314 112.207 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -248.441 -13.575 113.522 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -247.211 -14.806 113.894 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -246.899 -18.333 112.956 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -246.516 -16.687 113.515 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -247.739 -17.655 114.371 1.00 0.00 H new ATOM 1315 N GLY A 81 -249.247 -14.502 116.310 1.00 0.00 N ATOM 1316 CA GLY A 81 -249.132 -13.252 117.022 1.00 0.00 C ATOM 1317 C GLY A 81 -247.792 -12.604 116.738 1.00 0.00 C ATOM 1318 O GLY A 81 -246.827 -13.304 116.456 1.00 0.00 O ATOM 0 H GLY A 81 -248.803 -15.297 116.770 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -249.938 -12.581 116.724 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -249.240 -13.425 118.093 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.701 -11.272 116.794 1.00 0.00 N ATOM 1323 CA PRO A 82 -246.470 -10.540 116.493 1.00 0.00 C ATOM 1324 C PRO A 82 -245.312 -10.917 117.405 1.00 0.00 C ATOM 1325 O PRO A 82 -244.154 -10.925 116.981 1.00 0.00 O ATOM 1326 CB PRO A 82 -246.870 -9.075 116.686 1.00 0.00 C ATOM 1327 CG PRO A 82 -248.345 -9.076 116.529 1.00 0.00 C ATOM 1328 CD PRO A 82 -248.781 -10.363 117.153 1.00 0.00 C ATOM 0 HA PRO A 82 -246.103 -10.765 115.492 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -246.575 -8.708 117.669 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -246.392 -8.431 115.948 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -248.799 -8.219 117.026 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -248.634 -9.025 115.479 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -248.892 -10.272 118.234 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -249.741 -10.699 116.761 1.00 0.00 H new ATOM 1336 N GLU A 83 -245.629 -11.213 118.654 1.00 0.00 N ATOM 1337 CA GLU A 83 -244.647 -11.681 119.613 1.00 0.00 C ATOM 1338 C GLU A 83 -244.042 -13.016 119.191 1.00 0.00 C ATOM 1339 O GLU A 83 -242.852 -13.269 119.395 1.00 0.00 O ATOM 1340 CB GLU A 83 -245.312 -11.805 120.962 1.00 0.00 C ATOM 1341 CG GLU A 83 -245.709 -10.457 121.523 1.00 0.00 C ATOM 1342 CD GLU A 83 -244.532 -9.510 121.640 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -243.668 -9.734 122.515 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -244.449 -8.548 120.845 1.00 0.00 O ATOM 0 H GLU A 83 -246.574 -11.135 119.030 1.00 0.00 H new ATOM 0 HA GLU A 83 -243.830 -10.962 119.663 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -246.196 -12.436 120.874 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -244.634 -12.302 121.656 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -246.469 -10.010 120.883 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -246.160 -10.594 122.506 1.00 0.00 H new ATOM 1351 N GLU A 84 -244.883 -13.859 118.613 1.00 0.00 N ATOM 1352 CA GLU A 84 -244.466 -15.160 118.110 1.00 0.00 C ATOM 1353 C GLU A 84 -243.804 -15.011 116.743 1.00 0.00 C ATOM 1354 O GLU A 84 -244.460 -14.723 115.742 1.00 0.00 O ATOM 1355 CB GLU A 84 -245.672 -16.095 118.029 1.00 0.00 C ATOM 1356 CG GLU A 84 -246.397 -16.220 119.355 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.654 -17.059 119.272 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -248.639 -16.612 118.651 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -247.674 -18.158 119.862 1.00 0.00 O ATOM 0 H GLU A 84 -245.875 -13.661 118.479 1.00 0.00 H new ATOM 0 HA GLU A 84 -243.737 -15.591 118.796 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -246.365 -15.725 117.273 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -245.342 -17.082 117.704 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -245.723 -16.660 120.090 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -246.656 -15.224 119.715 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.497 -15.197 116.712 1.00 0.00 N ATOM 1367 CA GLU A 85 -241.720 -14.906 115.521 1.00 0.00 C ATOM 1368 C GLU A 85 -241.617 -16.116 114.586 1.00 0.00 C ATOM 1369 O GLU A 85 -241.354 -17.254 115.010 1.00 0.00 O ATOM 1370 CB GLU A 85 -240.354 -14.372 115.936 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.476 -13.152 116.842 1.00 0.00 C ATOM 1372 CD GLU A 85 -239.134 -12.589 117.273 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -238.498 -13.180 118.172 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -238.717 -11.547 116.729 1.00 0.00 O ATOM 0 H GLU A 85 -241.951 -15.549 117.499 1.00 0.00 H new ATOM 0 HA GLU A 85 -242.234 -14.139 114.942 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -239.799 -15.155 116.453 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -239.781 -14.109 115.047 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -241.038 -12.376 116.322 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -241.051 -13.422 117.728 1.00 0.00 H new ATOM 1381 N ILE A 86 -241.813 -15.845 113.299 1.00 0.00 N ATOM 1382 CA ILE A 86 -241.979 -16.886 112.288 1.00 0.00 C ATOM 1383 C ILE A 86 -240.694 -17.649 112.011 1.00 0.00 C ATOM 1384 O ILE A 86 -240.742 -18.811 111.610 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.524 -16.306 110.971 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.595 -15.211 110.432 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -243.921 -15.764 111.207 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -242.019 -14.660 109.088 1.00 0.00 C ATOM 0 H ILE A 86 -241.861 -14.897 112.927 1.00 0.00 H new ATOM 0 HA ILE A 86 -242.702 -17.589 112.702 1.00 0.00 H new ATOM 0 HB ILE A 86 -242.568 -17.095 110.221 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -241.554 -14.394 111.153 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.585 -15.613 110.348 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -244.313 -15.351 110.277 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.571 -16.570 111.549 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -243.884 -14.981 111.964 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -241.315 -13.891 108.772 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -242.032 -15.465 108.353 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -243.016 -14.227 109.170 1.00 0.00 H new ATOM 1400 N MET A 87 -239.549 -17.014 112.225 1.00 0.00 N ATOM 1401 CA MET A 87 -238.279 -17.705 112.062 1.00 0.00 C ATOM 1402 C MET A 87 -238.196 -18.869 113.033 1.00 0.00 C ATOM 1403 O MET A 87 -237.615 -19.906 112.724 1.00 0.00 O ATOM 1404 CB MET A 87 -237.092 -16.760 112.268 1.00 0.00 C ATOM 1405 CG MET A 87 -236.839 -15.797 111.110 1.00 0.00 C ATOM 1406 SD MET A 87 -236.106 -16.587 109.653 1.00 0.00 S ATOM 1407 CE MET A 87 -237.515 -17.438 108.940 1.00 0.00 C ATOM 0 H MET A 87 -239.474 -16.037 112.507 1.00 0.00 H new ATOM 0 HA MET A 87 -238.229 -18.080 111.040 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.259 -16.180 113.176 1.00 0.00 H new ATOM 0 HB3 MET A 87 -236.194 -17.356 112.431 1.00 0.00 H new ATOM 0 HG2 MET A 87 -237.782 -15.331 110.824 1.00 0.00 H new ATOM 0 HG3 MET A 87 -236.179 -14.999 111.450 1.00 0.00 H new ATOM 0 HE1 MET A 87 -237.494 -17.332 107.855 1.00 0.00 H new ATOM 0 HE2 MET A 87 -237.472 -18.495 109.202 1.00 0.00 H new ATOM 0 HE3 MET A 87 -238.437 -17.005 109.329 1.00 0.00 H new ATOM 1417 N GLN A 88 -238.837 -18.720 114.187 1.00 0.00 N ATOM 1418 CA GLN A 88 -238.794 -19.763 115.200 1.00 0.00 C ATOM 1419 C GLN A 88 -239.746 -20.869 114.800 1.00 0.00 C ATOM 1420 O GLN A 88 -239.474 -22.054 114.985 1.00 0.00 O ATOM 1421 CB GLN A 88 -239.175 -19.212 116.569 1.00 0.00 C ATOM 1422 CG GLN A 88 -238.239 -18.125 117.052 1.00 0.00 C ATOM 1423 CD GLN A 88 -238.639 -17.567 118.401 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -239.227 -18.265 119.225 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -238.316 -16.309 118.642 1.00 0.00 N ATOM 0 H GLN A 88 -239.385 -17.898 114.441 1.00 0.00 H new ATOM 0 HA GLN A 88 -237.778 -20.152 115.270 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -240.190 -18.817 116.526 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -239.181 -20.027 117.293 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -237.227 -18.524 117.114 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -238.219 -17.317 116.321 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -237.828 -15.763 117.932 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -238.554 -15.884 119.538 1.00 0.00 H new ATOM 1434 N ILE A 89 -240.858 -20.445 114.224 1.00 0.00 N ATOM 1435 CA ILE A 89 -241.883 -21.353 113.735 1.00 0.00 C ATOM 1436 C ILE A 89 -241.329 -22.282 112.660 1.00 0.00 C ATOM 1437 O ILE A 89 -241.451 -23.500 112.746 1.00 0.00 O ATOM 1438 CB ILE A 89 -243.053 -20.554 113.151 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -243.470 -19.476 114.149 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -244.220 -21.474 112.820 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -243.775 -19.999 115.538 1.00 0.00 C ATOM 0 H ILE A 89 -241.077 -19.459 114.082 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.225 -21.955 114.577 1.00 0.00 H new ATOM 0 HB ILE A 89 -242.739 -20.077 112.222 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -242.674 -18.734 114.219 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.351 -18.963 113.765 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -245.040 -20.887 112.407 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -243.901 -22.217 112.089 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -244.555 -21.977 113.727 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.063 -19.170 116.184 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -244.592 -20.718 115.485 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -242.889 -20.486 115.946 1.00 0.00 H new ATOM 1453 N LEU A 90 -240.688 -21.684 111.668 1.00 0.00 N ATOM 1454 CA LEU A 90 -240.169 -22.416 110.518 1.00 0.00 C ATOM 1455 C LEU A 90 -238.924 -23.229 110.870 1.00 0.00 C ATOM 1456 O LEU A 90 -238.566 -24.174 110.167 1.00 0.00 O ATOM 1457 CB LEU A 90 -239.889 -21.431 109.389 1.00 0.00 C ATOM 1458 CG LEU A 90 -241.124 -20.659 108.922 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -240.731 -19.494 108.034 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -242.088 -21.589 108.200 1.00 0.00 C ATOM 0 H LEU A 90 -240.512 -20.680 111.635 1.00 0.00 H new ATOM 0 HA LEU A 90 -240.920 -23.136 110.193 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -239.131 -20.720 109.719 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -239.470 -21.974 108.542 1.00 0.00 H new ATOM 0 HG LEU A 90 -241.628 -20.254 109.800 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -241.627 -18.961 107.715 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -240.084 -18.815 108.589 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -240.200 -19.867 107.158 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -242.962 -21.025 107.874 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -241.592 -22.024 107.332 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -242.401 -22.385 108.876 1.00 0.00 H new ATOM 1472 N SER A 91 -238.259 -22.854 111.956 1.00 0.00 N ATOM 1473 CA SER A 91 -237.124 -23.620 112.460 1.00 0.00 C ATOM 1474 C SER A 91 -237.601 -24.851 113.230 1.00 0.00 C ATOM 1475 O SER A 91 -236.796 -25.643 113.724 1.00 0.00 O ATOM 1476 CB SER A 91 -236.236 -22.747 113.348 1.00 0.00 C ATOM 1477 OG SER A 91 -235.714 -21.649 112.619 1.00 0.00 O ATOM 0 H SER A 91 -238.485 -22.025 112.505 1.00 0.00 H new ATOM 0 HA SER A 91 -236.535 -23.955 111.606 1.00 0.00 H new ATOM 0 HB2 SER A 91 -236.812 -22.383 114.199 1.00 0.00 H new ATOM 0 HB3 SER A 91 -235.417 -23.344 113.749 1.00 0.00 H new ATOM 0 HG SER A 91 -236.425 -20.992 112.463 1.00 0.00 H new ATOM 1658 N ILE A 103 -249.350 -20.842 105.834 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.763 -19.592 106.453 1.00 0.00 C ATOM 1660 C ILE A 103 -250.873 -18.914 105.666 1.00 0.00 C ATOM 1661 O ILE A 103 -250.803 -18.795 104.445 1.00 0.00 O ATOM 1662 CB ILE A 103 -248.585 -18.599 106.599 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -247.481 -19.198 107.473 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -249.066 -17.275 107.187 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -246.375 -18.221 107.807 1.00 0.00 C ATOM 0 HA ILE A 103 -250.131 -19.859 107.444 1.00 0.00 H new ATOM 0 HB ILE A 103 -248.177 -18.408 105.607 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -247.922 -19.565 108.400 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -247.051 -20.059 106.961 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -248.223 -16.591 107.281 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.817 -16.836 106.530 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -249.502 -17.451 108.170 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.628 -18.715 108.429 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.907 -17.872 106.886 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.791 -17.371 108.347 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.878 -18.456 106.389 1.00 0.00 N ATOM 1678 CA VAL A 104 -252.970 -17.713 105.834 1.00 0.00 C ATOM 1679 C VAL A 104 -253.032 -16.367 106.517 1.00 0.00 C ATOM 1680 O VAL A 104 -253.306 -16.281 107.714 1.00 0.00 O ATOM 1681 CB VAL A 104 -254.313 -18.446 106.017 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -254.484 -19.547 104.982 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -254.434 -19.010 107.410 1.00 0.00 C ATOM 0 H VAL A 104 -251.950 -18.598 107.396 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.802 -17.598 104.763 1.00 0.00 H new ATOM 0 HB VAL A 104 -255.109 -17.716 105.871 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -255.441 -20.046 105.136 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -254.458 -19.114 103.982 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -253.676 -20.271 105.085 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.391 -19.522 107.513 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -253.623 -19.716 107.588 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -254.376 -18.200 108.137 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.703 -15.326 105.788 1.00 0.00 N ATOM 1694 CA LEU A 105 -252.863 -13.992 106.311 1.00 0.00 C ATOM 1695 C LEU A 105 -254.346 -13.740 106.506 1.00 0.00 C ATOM 1696 O LEU A 105 -255.112 -13.654 105.545 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.302 -12.957 105.364 1.00 0.00 C ATOM 1698 CG LEU A 105 -252.202 -11.571 105.971 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -251.294 -11.627 107.182 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -251.700 -10.569 104.947 1.00 0.00 C ATOM 0 H LEU A 105 -252.327 -15.377 104.841 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.321 -13.911 107.253 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.312 -13.274 105.038 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -252.931 -12.911 104.475 1.00 0.00 H new ATOM 0 HG LEU A 105 -253.191 -11.238 106.286 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -251.216 -10.634 107.625 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -251.707 -12.320 107.915 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -250.304 -11.967 106.879 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.636 -9.582 105.405 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -250.713 -10.871 104.596 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -252.390 -10.534 104.104 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.731 -13.667 107.743 1.00 0.00 N ATOM 1713 CA LYS A 106 -256.111 -13.493 108.111 1.00 0.00 C ATOM 1714 C LYS A 106 -256.355 -12.046 108.510 1.00 0.00 C ATOM 1715 O LYS A 106 -255.441 -11.217 108.472 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.472 -14.417 109.273 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.560 -15.884 108.890 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.716 -16.154 107.939 1.00 0.00 C ATOM 1719 CE LYS A 106 -257.923 -17.645 107.731 1.00 0.00 C ATOM 1720 NZ LYS A 106 -259.060 -17.933 106.818 1.00 0.00 N ATOM 0 H LYS A 106 -254.093 -13.727 108.537 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.738 -13.745 107.256 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.727 -14.302 110.061 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.429 -14.103 109.690 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.625 -16.194 108.422 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -256.682 -16.487 109.790 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -258.628 -15.710 108.337 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -257.520 -15.675 106.980 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -257.012 -18.083 107.323 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -258.103 -18.123 108.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -259.163 -18.962 106.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -259.935 -17.539 107.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -258.878 -17.500 105.890 1.00 0.00 H new ATOM 1734 N THR A 107 -257.572 -11.751 108.905 1.00 0.00 N ATOM 1735 CA THR A 107 -257.923 -10.459 109.391 1.00 0.00 C ATOM 1736 C THR A 107 -258.407 -10.633 110.820 1.00 0.00 C ATOM 1737 O THR A 107 -258.636 -11.756 111.274 1.00 0.00 O ATOM 1738 CB THR A 107 -259.042 -9.831 108.534 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.190 -10.691 108.522 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.573 -9.610 107.105 1.00 0.00 C ATOM 0 H THR A 107 -258.346 -12.416 108.893 1.00 0.00 H new ATOM 0 HA THR A 107 -257.061 -9.794 109.343 1.00 0.00 H new ATOM 0 HB THR A 107 -259.303 -8.868 108.973 1.00 0.00 H new ATOM 0 HG1 THR A 107 -260.897 -10.285 107.978 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.380 -9.167 106.522 1.00 0.00 H new ATOM 0 HG22 THR A 107 -257.714 -8.940 107.104 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.289 -10.565 106.664 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.584 -9.537 111.502 1.00 0.00 N ATOM 1749 CA GLN A 108 -259.092 -9.533 112.876 1.00 0.00 C ATOM 1750 C GLN A 108 -260.609 -9.711 112.846 1.00 0.00 C ATOM 1751 O GLN A 108 -261.358 -9.086 113.602 1.00 0.00 O ATOM 1752 CB GLN A 108 -258.706 -8.226 113.582 1.00 0.00 C ATOM 1753 CG GLN A 108 -258.797 -8.295 115.098 1.00 0.00 C ATOM 1754 CD GLN A 108 -258.541 -6.964 115.786 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -258.079 -6.926 116.926 1.00 0.00 O ATOM 1756 NE2 GLN A 108 -258.837 -5.868 115.110 1.00 0.00 N ATOM 0 H GLN A 108 -258.384 -8.608 111.133 1.00 0.00 H new ATOM 0 HA GLN A 108 -258.648 -10.356 113.436 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -257.687 -7.960 113.301 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -259.355 -7.426 113.225 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -259.787 -8.654 115.378 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -258.077 -9.027 115.464 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -259.219 -5.938 114.167 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -258.684 -4.952 115.531 1.00 0.00 H new