USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 688 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 Set 1.1: A 367 LYS NZ :NH3+ 169:sc= 1.2 (180deg=-0.064) USER MOD Set 1.2: A 371 ASN : amide:sc= 0 K(o=3.5,f=2.3) USER MOD Set 1.3: A 397 THR OG1 : rot 75:sc= 2.28 USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 339 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.07) USER MOD Single : A 344 GLN :FLIP amide:sc= -0.0755 F(o=-3!,f=-0.076) USER MOD Single : A 347 LYS NZ :NH3+ 169:sc=-0.00312 (180deg=-0.106) USER MOD Single : A 350 GLN : amide:sc= -2.03! C(o=-2!,f=-7.6!) USER MOD Single : A 351 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.56) USER MOD Single : A 357 SER OG : rot 180:sc= 0 USER MOD Single : A 361 GLN : amide:sc= -0.0286 K(o=-0.029,f=-0.65) USER MOD Single : A 362 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.11) USER MOD Single : A 364 MET CE :methyl -153:sc= -0.146 (180deg=-1.06) USER MOD Single : A 366 GLN : amide:sc= -0.701 K(o=-0.7,f=-5.1!) USER MOD Single : A 372 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0598) USER MOD Single : A 373 MET CE :methyl 145:sc= -0.158 (180deg=-0.819) USER MOD Single : A 374 LYS NZ :NH3+ 149:sc= 1.18 (180deg=-0.257!) USER MOD Single : A 377 TYR OH : rot 180:sc= 0 USER MOD Single : A 379 LYS NZ :NH3+ -169:sc=-0.000436 (180deg=-0.111) USER MOD Single : A 380 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 382 GLN : amide:sc=-0.00734 X(o=-0.0073,f=-0.48) USER MOD Single : A 383 MET CE :methyl -166:sc= -0.0367 (180deg=-0.319) USER MOD Single : A 387 SER OG : rot 60:sc= 1.38 USER MOD Single : A 388 SER OG : rot 180:sc= 0 USER MOD Single : A 390 HIS : no HD1:sc=-0.00204 X(o=-0.002,f=0) USER MOD Single : A 392 LYS NZ :NH3+ -171:sc= -0.0149 (180deg=-0.135) USER MOD Single : A 396 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 398 SER OG : rot 96:sc= 1.27 USER MOD Single : A 399 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 405 MET CE :methyl -147:sc= 0 (180deg=-0.85) USER MOD Single : A 408 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.0042) USER MOD Single : A 409 LYS NZ :NH3+ 150:sc= 0.0701 (180deg=0) USER MOD Single : A 410 ASN : amide:sc= 1.16 K(o=1.2,f=-0.54) USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N PHE A 337 -14.755 -6.415 2.828 1.00 0.00 N ATOM 196 CA PHE A 337 -15.598 -5.387 3.453 1.00 0.00 C ATOM 197 C PHE A 337 -16.841 -5.066 2.613 1.00 0.00 C ATOM 198 O PHE A 337 -17.329 -3.937 2.631 1.00 0.00 O ATOM 199 CB PHE A 337 -14.810 -4.095 3.702 1.00 0.00 C ATOM 200 CG PHE A 337 -13.726 -4.217 4.733 1.00 0.00 C ATOM 201 CD1 PHE A 337 -14.041 -4.392 6.070 1.00 0.00 C ATOM 202 CD2 PHE A 337 -12.393 -4.148 4.365 1.00 0.00 C ATOM 203 CE1 PHE A 337 -13.046 -4.496 7.021 1.00 0.00 C ATOM 204 CE2 PHE A 337 -11.395 -4.250 5.312 1.00 0.00 C ATOM 205 CZ PHE A 337 -11.721 -4.425 6.643 1.00 0.00 C ATOM 0 HA PHE A 337 -15.924 -5.801 4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -14.365 -3.769 2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -15.505 -3.315 4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -15.076 -4.448 6.372 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -12.132 -4.013 3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -13.305 -4.633 8.061 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -10.359 -4.193 5.013 1.00 0.00 H new ATOM 0 HZ PHE A 337 -10.941 -4.506 7.386 1.00 0.00 H new ATOM 215 N SER A 338 -17.374 -6.057 1.902 1.00 0.00 N ATOM 216 CA SER A 338 -18.544 -5.830 1.052 1.00 0.00 C ATOM 217 C SER A 338 -19.822 -5.740 1.883 1.00 0.00 C ATOM 218 O SER A 338 -20.856 -5.270 1.407 1.00 0.00 O ATOM 219 CB SER A 338 -18.676 -6.942 0.010 1.00 0.00 C ATOM 220 OG SER A 338 -18.720 -8.214 0.628 1.00 0.00 O ATOM 0 H SER A 338 -17.021 -7.014 1.895 1.00 0.00 H new ATOM 0 HA SER A 338 -18.401 -4.879 0.539 1.00 0.00 H new ATOM 0 HB2 SER A 338 -19.581 -6.788 -0.578 1.00 0.00 H new ATOM 0 HB3 SER A 338 -17.835 -6.899 -0.682 1.00 0.00 H new ATOM 0 HG SER A 338 -18.806 -8.908 -0.058 1.00 0.00 H new ATOM 226 N HIS A 339 -19.746 -6.183 3.132 1.00 0.00 N ATOM 227 CA HIS A 339 -20.898 -6.135 4.030 1.00 0.00 C ATOM 228 C HIS A 339 -21.062 -4.745 4.634 1.00 0.00 C ATOM 229 O HIS A 339 -21.932 -4.524 5.474 1.00 0.00 O ATOM 230 CB HIS A 339 -20.776 -7.182 5.147 1.00 0.00 C ATOM 231 CG HIS A 339 -19.556 -7.032 6.008 1.00 0.00 C ATOM 232 ND1 HIS A 339 -18.426 -7.808 5.855 1.00 0.00 N ATOM 233 CD2 HIS A 339 -19.294 -6.191 7.037 1.00 0.00 C ATOM 234 CE1 HIS A 339 -17.527 -7.449 6.752 1.00 0.00 C ATOM 235 NE2 HIS A 339 -18.028 -6.471 7.477 1.00 0.00 N ATOM 0 H HIS A 339 -18.902 -6.579 3.547 1.00 0.00 H new ATOM 0 HA HIS A 339 -21.783 -6.365 3.437 1.00 0.00 H new ATOM 0 HB2 HIS A 339 -21.662 -7.125 5.780 1.00 0.00 H new ATOM 0 HB3 HIS A 339 -20.769 -8.175 4.698 1.00 0.00 H new ATOM 0 HD2 HIS A 339 -19.960 -5.440 7.436 1.00 0.00 H new ATOM 0 HE1 HIS A 339 -16.546 -7.884 6.871 1.00 0.00 H new ATOM 0 HE2 HIS A 339 -17.550 -5.998 8.244 1.00 0.00 H new ATOM 244 N LEU A 340 -20.216 -3.819 4.217 1.00 0.00 N ATOM 245 CA LEU A 340 -20.284 -2.456 4.709 1.00 0.00 C ATOM 246 C LEU A 340 -20.938 -1.554 3.674 1.00 0.00 C ATOM 247 O LEU A 340 -20.468 -1.467 2.537 1.00 0.00 O ATOM 248 CB LEU A 340 -18.887 -1.931 5.049 1.00 0.00 C ATOM 249 CG LEU A 340 -18.170 -2.648 6.195 1.00 0.00 C ATOM 250 CD1 LEU A 340 -16.802 -2.028 6.427 1.00 0.00 C ATOM 251 CD2 LEU A 340 -19.002 -2.593 7.470 1.00 0.00 C ATOM 0 H LEU A 340 -19.474 -3.987 3.538 1.00 0.00 H new ATOM 0 HA LEU A 340 -20.887 -2.452 5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 340 -18.266 -2.000 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 340 -18.967 -0.873 5.300 1.00 0.00 H new ATOM 0 HG LEU A 340 -18.039 -3.694 5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 340 -16.301 -2.547 7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 340 -16.204 -2.117 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 340 -16.918 -0.975 6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 340 -18.474 -3.109 8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 340 -19.165 -1.553 7.753 1.00 0.00 H new ATOM 0 HD23 LEU A 340 -19.963 -3.078 7.298 1.00 0.00 H new ATOM 263 N PRO A 341 -22.051 -0.899 4.047 1.00 0.00 N ATOM 264 CA PRO A 341 -22.716 0.090 3.191 1.00 0.00 C ATOM 265 C PRO A 341 -21.743 1.169 2.723 1.00 0.00 C ATOM 266 O PRO A 341 -20.771 1.464 3.420 1.00 0.00 O ATOM 267 CB PRO A 341 -23.789 0.689 4.104 1.00 0.00 C ATOM 268 CG PRO A 341 -24.065 -0.371 5.110 1.00 0.00 C ATOM 269 CD PRO A 341 -22.759 -1.084 5.327 1.00 0.00 C ATOM 0 HA PRO A 341 -23.122 -0.352 2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -23.438 1.604 4.580 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -24.688 0.946 3.543 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -24.434 0.060 6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -24.831 -1.059 4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -22.201 -0.656 6.160 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -22.910 -2.139 5.553 1.00 0.00 H new ATOM 277 N PRO A 342 -22.006 1.772 1.546 1.00 0.00 N ATOM 278 CA PRO A 342 -21.099 2.712 0.875 1.00 0.00 C ATOM 279 C PRO A 342 -20.320 3.625 1.824 1.00 0.00 C ATOM 280 O PRO A 342 -19.088 3.583 1.858 1.00 0.00 O ATOM 281 CB PRO A 342 -22.037 3.551 -0.008 1.00 0.00 C ATOM 282 CG PRO A 342 -23.401 2.939 0.111 1.00 0.00 C ATOM 283 CD PRO A 342 -23.227 1.593 0.760 1.00 0.00 C ATOM 0 HA PRO A 342 -20.324 2.170 0.333 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -22.049 4.591 0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -21.700 3.547 -1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -24.057 3.573 0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -23.864 2.836 -0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -24.079 1.333 1.388 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -23.121 0.798 0.022 1.00 0.00 H new ATOM 291 N GLU A 343 -21.037 4.421 2.608 1.00 0.00 N ATOM 292 CA GLU A 343 -20.406 5.401 3.485 1.00 0.00 C ATOM 293 C GLU A 343 -19.525 4.737 4.536 1.00 0.00 C ATOM 294 O GLU A 343 -18.377 5.132 4.729 1.00 0.00 O ATOM 295 CB GLU A 343 -21.456 6.284 4.156 1.00 0.00 C ATOM 296 CG GLU A 343 -21.981 7.383 3.251 1.00 0.00 C ATOM 297 CD GLU A 343 -20.877 8.311 2.786 1.00 0.00 C ATOM 298 OE1 GLU A 343 -20.430 9.159 3.586 1.00 0.00 O ATOM 299 OE2 GLU A 343 -20.444 8.196 1.623 1.00 0.00 O ATOM 0 H GLU A 343 -22.056 4.407 2.655 1.00 0.00 H new ATOM 0 HA GLU A 343 -19.766 6.026 2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 343 -22.290 5.662 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 343 -21.025 6.734 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 343 -22.469 6.937 2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 343 -22.739 7.959 3.782 1.00 0.00 H new ATOM 306 N GLN A 344 -20.049 3.723 5.206 1.00 0.00 N ATOM 307 CA GLN A 344 -19.290 3.049 6.248 1.00 0.00 C ATOM 308 C GLN A 344 -18.106 2.294 5.650 1.00 0.00 C ATOM 309 O GLN A 344 -17.047 2.196 6.270 1.00 0.00 O ATOM 310 CB GLN A 344 -20.178 2.092 7.043 1.00 0.00 C ATOM 311 CG GLN A 344 -19.495 1.542 8.286 1.00 0.00 C ATOM 312 CD GLN A 344 -20.375 0.605 9.092 1.00 0.00 C ATOM 313 OE1 GLN A 344 -21.261 -0.109 8.419 1.00 0.00 O flip ATOM 314 NE2 GLN A 344 -20.250 0.520 10.313 1.00 0.00 N flip ATOM 0 H GLN A 344 -20.986 3.352 5.050 1.00 0.00 H new ATOM 0 HA GLN A 344 -18.911 3.811 6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 344 -21.091 2.611 7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 344 -20.475 1.263 6.401 1.00 0.00 H new ATOM 0 HG2 GLN A 344 -18.589 1.013 7.990 1.00 0.00 H new ATOM 0 HG3 GLN A 344 -19.186 2.373 8.920 1.00 0.00 H new ATOM 0 HE21 GLN A 344 -19.554 1.089 10.795 1.00 0.00 H new ATOM 0 HE22 GLN A 344 -20.842 -0.119 10.843 1.00 0.00 H new ATOM 323 N ARG A 345 -18.278 1.783 4.436 1.00 0.00 N ATOM 324 CA ARG A 345 -17.222 1.033 3.776 1.00 0.00 C ATOM 325 C ARG A 345 -16.028 1.932 3.486 1.00 0.00 C ATOM 326 O ARG A 345 -14.918 1.655 3.937 1.00 0.00 O ATOM 327 CB ARG A 345 -17.720 0.384 2.483 1.00 0.00 C ATOM 328 CG ARG A 345 -16.706 -0.568 1.867 1.00 0.00 C ATOM 329 CD ARG A 345 -17.267 -1.294 0.658 1.00 0.00 C ATOM 330 NE ARG A 345 -16.334 -2.301 0.152 1.00 0.00 N ATOM 331 CZ ARG A 345 -16.622 -3.168 -0.816 1.00 0.00 C ATOM 332 NH1 ARG A 345 -17.819 -3.152 -1.396 1.00 0.00 N ATOM 333 NH2 ARG A 345 -15.717 -4.066 -1.188 1.00 0.00 N ATOM 0 H ARG A 345 -19.136 1.875 3.893 1.00 0.00 H new ATOM 0 HA ARG A 345 -16.910 0.238 4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 345 -18.643 -0.159 2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 345 -17.963 1.164 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 345 -15.817 -0.010 1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 345 -16.393 -1.297 2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 345 -18.209 -1.772 0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 345 -17.487 -0.573 -0.130 1.00 0.00 H new ATOM 0 HE ARG A 345 -15.403 -2.341 0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 345 -18.520 -2.473 -1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 345 -18.035 -3.818 -2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 345 -14.805 -4.090 -0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 345 -15.934 -4.732 -1.929 1.00 0.00 H new ATOM 347 N ARG A 346 -16.253 3.027 2.763 1.00 0.00 N ATOM 348 CA ARG A 346 -15.159 3.938 2.442 1.00 0.00 C ATOM 349 C ARG A 346 -14.622 4.614 3.698 1.00 0.00 C ATOM 350 O ARG A 346 -13.484 5.077 3.725 1.00 0.00 O ATOM 351 CB ARG A 346 -15.545 4.969 1.362 1.00 0.00 C ATOM 352 CG ARG A 346 -16.894 5.656 1.533 1.00 0.00 C ATOM 353 CD ARG A 346 -16.897 6.676 2.650 1.00 0.00 C ATOM 354 NE ARG A 346 -15.827 7.657 2.503 1.00 0.00 N ATOM 355 CZ ARG A 346 -15.370 8.413 3.498 1.00 0.00 C ATOM 356 NH1 ARG A 346 -15.928 8.351 4.704 1.00 0.00 N ATOM 357 NH2 ARG A 346 -14.366 9.249 3.281 1.00 0.00 N ATOM 0 H ARG A 346 -17.164 3.301 2.395 1.00 0.00 H new ATOM 0 HA ARG A 346 -14.357 3.334 2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 346 -14.772 5.737 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 346 -15.537 4.469 0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 346 -17.167 6.147 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 346 -17.657 4.903 1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 346 -17.858 7.189 2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 346 -16.790 6.165 3.607 1.00 0.00 H new ATOM 0 HE ARG A 346 -15.404 7.770 1.582 1.00 0.00 H new ATOM 0 HH11 ARG A 346 -16.712 7.721 4.871 1.00 0.00 H new ATOM 0 HH12 ARG A 346 -15.572 8.934 5.461 1.00 0.00 H new ATOM 0 HH21 ARG A 346 -13.946 9.312 2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 346 -14.013 9.830 4.041 1.00 0.00 H new ATOM 371 N LYS A 347 -15.438 4.638 4.745 1.00 0.00 N ATOM 372 CA LYS A 347 -15.025 5.184 6.028 1.00 0.00 C ATOM 373 C LYS A 347 -13.956 4.292 6.660 1.00 0.00 C ATOM 374 O LYS A 347 -13.077 4.766 7.375 1.00 0.00 O ATOM 375 CB LYS A 347 -16.233 5.302 6.960 1.00 0.00 C ATOM 376 CG LYS A 347 -15.965 6.102 8.221 1.00 0.00 C ATOM 377 CD LYS A 347 -17.195 6.167 9.112 1.00 0.00 C ATOM 378 CE LYS A 347 -17.445 4.854 9.839 1.00 0.00 C ATOM 379 NZ LYS A 347 -16.434 4.595 10.897 1.00 0.00 N ATOM 0 H LYS A 347 -16.394 4.283 4.728 1.00 0.00 H new ATOM 0 HA LYS A 347 -14.604 6.177 5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 347 -17.055 5.767 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 347 -16.562 4.301 7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 347 -15.140 5.650 8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 347 -15.655 7.112 7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 347 -17.072 6.967 9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 347 -18.067 6.418 8.508 1.00 0.00 H new ATOM 0 HE2 LYS A 347 -18.439 4.872 10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 347 -17.433 4.035 9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 -16.744 3.795 11.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 -15.520 4.367 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 -16.329 5.442 11.492 1.00 0.00 H new ATOM 393 N ARG A 348 -14.043 2.996 6.385 1.00 0.00 N ATOM 394 CA ARG A 348 -13.060 2.036 6.877 1.00 0.00 C ATOM 395 C ARG A 348 -11.868 1.953 5.932 1.00 0.00 C ATOM 396 O ARG A 348 -10.721 1.846 6.365 1.00 0.00 O ATOM 397 CB ARG A 348 -13.693 0.650 7.026 1.00 0.00 C ATOM 398 CG ARG A 348 -14.763 0.568 8.103 1.00 0.00 C ATOM 399 CD ARG A 348 -14.185 0.818 9.487 1.00 0.00 C ATOM 400 NE ARG A 348 -13.103 -0.112 9.807 1.00 0.00 N ATOM 401 CZ ARG A 348 -12.994 -0.763 10.964 1.00 0.00 C ATOM 402 NH1 ARG A 348 -13.916 -0.614 11.907 1.00 0.00 N ATOM 403 NH2 ARG A 348 -11.966 -1.575 11.171 1.00 0.00 N ATOM 0 H ARG A 348 -14.787 2.584 5.822 1.00 0.00 H new ATOM 0 HA ARG A 348 -12.715 2.378 7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 348 -14.131 0.358 6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 348 -12.909 -0.073 7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 348 -15.544 1.300 7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 348 -15.232 -0.415 8.076 1.00 0.00 H new ATOM 0 HD2 ARG A 348 -13.812 1.841 9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 348 -14.975 0.724 10.232 1.00 0.00 H new ATOM 0 HE ARG A 348 -12.386 -0.272 9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 348 -14.714 0.002 11.748 1.00 0.00 H new ATOM 0 HH12 ARG A 348 -13.827 -1.115 12.791 1.00 0.00 H new ATOM 0 HH21 ARG A 348 -11.261 -1.700 10.445 1.00 0.00 H new ATOM 0 HH22 ARG A 348 -11.881 -2.074 12.056 1.00 0.00 H new ATOM 417 N LEU A 349 -12.156 2.005 4.636 1.00 0.00 N ATOM 418 CA LEU A 349 -11.122 1.917 3.609 1.00 0.00 C ATOM 419 C LEU A 349 -10.106 3.044 3.742 1.00 0.00 C ATOM 420 O LEU A 349 -8.905 2.803 3.692 1.00 0.00 O ATOM 421 CB LEU A 349 -11.747 1.944 2.212 1.00 0.00 C ATOM 422 CG LEU A 349 -12.104 0.581 1.603 1.00 0.00 C ATOM 423 CD1 LEU A 349 -12.916 -0.269 2.565 1.00 0.00 C ATOM 424 CD2 LEU A 349 -12.873 0.779 0.309 1.00 0.00 C ATOM 0 H LEU A 349 -13.102 2.108 4.269 1.00 0.00 H new ATOM 0 HA LEU A 349 -10.601 0.970 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 349 -12.653 2.549 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 349 -11.057 2.450 1.537 1.00 0.00 H new ATOM 0 HG LEU A 349 -11.173 0.053 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 349 -13.149 -1.226 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 349 -12.340 -0.440 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 349 -13.843 0.248 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 349 -13.123 -0.192 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 349 -13.789 1.333 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 349 -12.259 1.338 -0.397 1.00 0.00 H new ATOM 436 N GLN A 350 -10.591 4.270 3.928 1.00 0.00 N ATOM 437 CA GLN A 350 -9.710 5.433 4.029 1.00 0.00 C ATOM 438 C GLN A 350 -8.729 5.296 5.188 1.00 0.00 C ATOM 439 O GLN A 350 -7.594 5.765 5.103 1.00 0.00 O ATOM 440 CB GLN A 350 -10.521 6.723 4.174 1.00 0.00 C ATOM 441 CG GLN A 350 -11.224 7.155 2.894 1.00 0.00 C ATOM 442 CD GLN A 350 -10.261 7.530 1.777 1.00 0.00 C ATOM 443 OE1 GLN A 350 -9.154 7.001 1.676 1.00 0.00 O ATOM 444 NE2 GLN A 350 -10.675 8.456 0.931 1.00 0.00 N ATOM 0 H GLN A 350 -11.585 4.484 4.012 1.00 0.00 H new ATOM 0 HA GLN A 350 -9.135 5.483 3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 350 -11.266 6.587 4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 350 -9.857 7.524 4.501 1.00 0.00 H new ATOM 0 HG2 GLN A 350 -11.870 6.347 2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 350 -11.868 8.007 3.111 1.00 0.00 H new ATOM 0 HE21 GLN A 350 -11.599 8.874 1.044 1.00 0.00 H new ATOM 0 HE22 GLN A 350 -10.071 8.753 0.165 1.00 0.00 H new ATOM 453 N GLN A 351 -9.161 4.636 6.259 1.00 0.00 N ATOM 454 CA GLN A 351 -8.294 4.386 7.405 1.00 0.00 C ATOM 455 C GLN A 351 -7.096 3.547 6.982 1.00 0.00 C ATOM 456 O GLN A 351 -5.965 3.789 7.406 1.00 0.00 O ATOM 457 CB GLN A 351 -9.056 3.656 8.511 1.00 0.00 C ATOM 458 CG GLN A 351 -10.273 4.403 9.025 1.00 0.00 C ATOM 459 CD GLN A 351 -11.018 3.623 10.088 1.00 0.00 C ATOM 460 OE1 GLN A 351 -10.425 2.851 10.845 1.00 0.00 O ATOM 461 NE2 GLN A 351 -12.324 3.807 10.143 1.00 0.00 N ATOM 0 H GLN A 351 -10.106 4.265 6.357 1.00 0.00 H new ATOM 0 HA GLN A 351 -7.951 5.348 7.786 1.00 0.00 H new ATOM 0 HB2 GLN A 351 -9.372 2.682 8.137 1.00 0.00 H new ATOM 0 HB3 GLN A 351 -8.378 3.472 9.344 1.00 0.00 H new ATOM 0 HG2 GLN A 351 -9.961 5.364 9.434 1.00 0.00 H new ATOM 0 HG3 GLN A 351 -10.946 4.614 8.193 1.00 0.00 H new ATOM 0 HE21 GLN A 351 -12.775 4.455 9.498 1.00 0.00 H new ATOM 0 HE22 GLN A 351 -12.882 3.301 10.831 1.00 0.00 H new ATOM 470 N ARG A 352 -7.358 2.563 6.133 1.00 0.00 N ATOM 471 CA ARG A 352 -6.323 1.675 5.648 1.00 0.00 C ATOM 472 C ARG A 352 -5.522 2.355 4.541 1.00 0.00 C ATOM 473 O ARG A 352 -4.302 2.230 4.482 1.00 0.00 O ATOM 474 CB ARG A 352 -6.949 0.377 5.131 1.00 0.00 C ATOM 475 CG ARG A 352 -5.930 -0.660 4.702 1.00 0.00 C ATOM 476 CD ARG A 352 -5.153 -1.209 5.892 1.00 0.00 C ATOM 477 NE ARG A 352 -6.016 -1.950 6.812 1.00 0.00 N ATOM 478 CZ ARG A 352 -5.683 -2.274 8.061 1.00 0.00 C ATOM 479 NH1 ARG A 352 -4.511 -1.906 8.568 1.00 0.00 N ATOM 480 NH2 ARG A 352 -6.530 -2.970 8.807 1.00 0.00 N ATOM 0 H ARG A 352 -8.288 2.363 5.766 1.00 0.00 H new ATOM 0 HA ARG A 352 -5.647 1.437 6.469 1.00 0.00 H new ATOM 0 HB2 ARG A 352 -7.581 -0.048 5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 352 -7.598 0.608 4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 352 -6.436 -1.478 4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 352 -5.237 -0.216 3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 352 -4.357 -1.862 5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 352 -4.676 -0.386 6.425 1.00 0.00 H new ATOM 0 HE ARG A 352 -6.935 -2.238 6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 352 -3.855 -1.370 8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 352 -4.267 -2.160 9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 352 -7.432 -3.255 8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 352 -6.280 -3.221 9.764 1.00 0.00 H new ATOM 494 N ILE A 353 -6.217 3.083 3.674 1.00 0.00 N ATOM 495 CA ILE A 353 -5.579 3.789 2.569 1.00 0.00 C ATOM 496 C ILE A 353 -4.554 4.795 3.078 1.00 0.00 C ATOM 497 O ILE A 353 -3.424 4.825 2.596 1.00 0.00 O ATOM 498 CB ILE A 353 -6.620 4.508 1.682 1.00 0.00 C ATOM 499 CG1 ILE A 353 -7.518 3.479 0.996 1.00 0.00 C ATOM 500 CG2 ILE A 353 -5.938 5.399 0.648 1.00 0.00 C ATOM 501 CD1 ILE A 353 -8.631 4.089 0.175 1.00 0.00 C ATOM 0 H ILE A 353 -7.229 3.200 3.716 1.00 0.00 H new ATOM 0 HA ILE A 353 -5.067 3.040 1.965 1.00 0.00 H new ATOM 0 HB ILE A 353 -7.234 5.146 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 353 -6.906 2.850 0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 353 -7.954 2.828 1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 353 -6.694 5.893 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 353 -5.335 6.151 1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 353 -5.297 4.791 0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 353 -9.224 3.296 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 353 -9.268 4.695 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 353 -8.204 4.717 -0.607 1.00 0.00 H new ATOM 513 N ASP A 354 -4.942 5.605 4.060 1.00 0.00 N ATOM 514 CA ASP A 354 -4.021 6.571 4.654 1.00 0.00 C ATOM 515 C ASP A 354 -2.829 5.856 5.277 1.00 0.00 C ATOM 516 O ASP A 354 -1.684 6.276 5.109 1.00 0.00 O ATOM 517 CB ASP A 354 -4.726 7.427 5.710 1.00 0.00 C ATOM 518 CG ASP A 354 -3.755 8.316 6.465 1.00 0.00 C ATOM 519 OD1 ASP A 354 -3.378 9.387 5.936 1.00 0.00 O ATOM 520 OD2 ASP A 354 -3.361 7.948 7.591 1.00 0.00 O ATOM 0 H ASP A 354 -5.881 5.612 4.459 1.00 0.00 H new ATOM 0 HA ASP A 354 -3.667 7.228 3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 354 -5.483 8.045 5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 354 -5.245 6.778 6.415 1.00 0.00 H new ATOM 525 N GLU A 355 -3.114 4.765 5.979 1.00 0.00 N ATOM 526 CA GLU A 355 -2.077 3.943 6.588 1.00 0.00 C ATOM 527 C GLU A 355 -1.077 3.475 5.539 1.00 0.00 C ATOM 528 O GLU A 355 0.132 3.662 5.688 1.00 0.00 O ATOM 529 CB GLU A 355 -2.698 2.728 7.278 1.00 0.00 C ATOM 530 CG GLU A 355 -1.672 1.764 7.854 1.00 0.00 C ATOM 531 CD GLU A 355 -2.299 0.506 8.409 1.00 0.00 C ATOM 532 OE1 GLU A 355 -2.559 -0.429 7.622 1.00 0.00 O ATOM 533 OE2 GLU A 355 -2.528 0.440 9.638 1.00 0.00 O ATOM 0 H GLU A 355 -4.063 4.428 6.141 1.00 0.00 H new ATOM 0 HA GLU A 355 -1.556 4.550 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 355 -3.352 3.071 8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 355 -3.324 2.195 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 355 -0.956 1.496 7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 355 -1.113 2.265 8.644 1.00 0.00 H new ATOM 540 N LEU A 356 -1.597 2.881 4.474 1.00 0.00 N ATOM 541 CA LEU A 356 -0.772 2.334 3.408 1.00 0.00 C ATOM 542 C LEU A 356 -0.048 3.438 2.649 1.00 0.00 C ATOM 543 O LEU A 356 1.120 3.294 2.299 1.00 0.00 O ATOM 544 CB LEU A 356 -1.643 1.521 2.452 1.00 0.00 C ATOM 545 CG LEU A 356 -2.374 0.345 3.097 1.00 0.00 C ATOM 546 CD1 LEU A 356 -3.435 -0.199 2.158 1.00 0.00 C ATOM 547 CD2 LEU A 356 -1.391 -0.749 3.488 1.00 0.00 C ATOM 0 H LEU A 356 -2.599 2.765 4.326 1.00 0.00 H new ATOM 0 HA LEU A 356 -0.018 1.686 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 356 -2.380 2.185 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 356 -1.017 1.143 1.644 1.00 0.00 H new ATOM 0 HG LEU A 356 -2.865 0.700 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 356 -3.946 -1.036 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 356 -4.157 0.586 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 356 -2.965 -0.537 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 356 -1.932 -1.577 3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 356 -0.869 -1.103 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 356 -0.668 -0.351 4.199 1.00 0.00 H new ATOM 559 N SER A 357 -0.743 4.539 2.409 1.00 0.00 N ATOM 560 CA SER A 357 -0.168 5.669 1.694 1.00 0.00 C ATOM 561 C SER A 357 1.000 6.261 2.478 1.00 0.00 C ATOM 562 O SER A 357 2.050 6.566 1.910 1.00 0.00 O ATOM 563 CB SER A 357 -1.237 6.736 1.442 1.00 0.00 C ATOM 564 OG SER A 357 -0.744 7.779 0.620 1.00 0.00 O ATOM 0 H SER A 357 -1.711 4.675 2.700 1.00 0.00 H new ATOM 0 HA SER A 357 0.207 5.316 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 357 -2.106 6.278 0.969 1.00 0.00 H new ATOM 0 HB3 SER A 357 -1.573 7.149 2.393 1.00 0.00 H new ATOM 0 HG SER A 357 -1.450 8.444 0.476 1.00 0.00 H new ATOM 570 N ARG A 358 0.823 6.406 3.786 1.00 0.00 N ATOM 571 CA ARG A 358 1.867 6.957 4.635 1.00 0.00 C ATOM 572 C ARG A 358 2.983 5.936 4.834 1.00 0.00 C ATOM 573 O ARG A 358 4.156 6.296 4.946 1.00 0.00 O ATOM 574 CB ARG A 358 1.283 7.385 5.981 1.00 0.00 C ATOM 575 CG ARG A 358 2.205 8.275 6.802 1.00 0.00 C ATOM 576 CD ARG A 358 2.664 9.490 6.009 1.00 0.00 C ATOM 577 NE ARG A 358 1.554 10.173 5.343 1.00 0.00 N ATOM 578 CZ ARG A 358 1.705 11.202 4.511 1.00 0.00 C ATOM 579 NH1 ARG A 358 2.910 11.714 4.292 1.00 0.00 N ATOM 580 NH2 ARG A 358 0.649 11.727 3.906 1.00 0.00 N ATOM 0 H ARG A 358 -0.032 6.150 4.279 1.00 0.00 H new ATOM 0 HA ARG A 358 2.289 7.835 4.146 1.00 0.00 H new ATOM 0 HB2 ARG A 358 0.346 7.913 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 358 1.044 6.494 6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 358 1.687 8.603 7.703 1.00 0.00 H new ATOM 0 HG3 ARG A 358 3.074 7.701 7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 358 3.168 10.188 6.678 1.00 0.00 H new ATOM 0 HD3 ARG A 358 3.396 9.179 5.263 1.00 0.00 H new ATOM 0 HE ARG A 358 0.607 9.841 5.527 1.00 0.00 H new ATOM 0 HH11 ARG A 358 3.725 11.319 4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 358 3.021 12.502 3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 358 -0.280 11.343 4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 358 0.766 12.515 3.269 1.00 0.00 H new ATOM 594 N GLU A 359 2.605 4.665 4.870 1.00 0.00 N ATOM 595 CA GLU A 359 3.567 3.575 4.957 1.00 0.00 C ATOM 596 C GLU A 359 4.462 3.598 3.726 1.00 0.00 C ATOM 597 O GLU A 359 5.689 3.600 3.825 1.00 0.00 O ATOM 598 CB GLU A 359 2.830 2.234 5.037 1.00 0.00 C ATOM 599 CG GLU A 359 3.665 1.097 5.602 1.00 0.00 C ATOM 600 CD GLU A 359 3.930 1.255 7.081 1.00 0.00 C ATOM 601 OE1 GLU A 359 2.973 1.147 7.873 1.00 0.00 O ATOM 602 OE2 GLU A 359 5.093 1.494 7.463 1.00 0.00 O ATOM 0 H GLU A 359 1.631 4.362 4.840 1.00 0.00 H new ATOM 0 HA GLU A 359 4.175 3.698 5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 359 1.940 2.358 5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 359 2.490 1.959 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 359 3.152 0.151 5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 359 4.615 1.048 5.069 1.00 0.00 H new ATOM 609 N LEU A 360 3.821 3.645 2.566 1.00 0.00 N ATOM 610 CA LEU A 360 4.511 3.695 1.287 1.00 0.00 C ATOM 611 C LEU A 360 5.330 4.982 1.168 1.00 0.00 C ATOM 612 O LEU A 360 6.439 4.969 0.636 1.00 0.00 O ATOM 613 CB LEU A 360 3.477 3.564 0.151 1.00 0.00 C ATOM 614 CG LEU A 360 4.008 3.628 -1.287 1.00 0.00 C ATOM 615 CD1 LEU A 360 4.131 5.063 -1.755 1.00 0.00 C ATOM 616 CD2 LEU A 360 5.334 2.897 -1.409 1.00 0.00 C ATOM 0 H LEU A 360 2.804 3.649 2.487 1.00 0.00 H new ATOM 0 HA LEU A 360 5.213 2.864 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 360 2.954 2.616 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.737 4.355 0.274 1.00 0.00 H new ATOM 0 HG LEU A 360 3.289 3.126 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 360 4.509 5.081 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.152 5.542 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 360 4.820 5.600 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 360 5.689 2.957 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 360 6.066 3.357 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 360 5.200 1.851 -1.132 1.00 0.00 H new ATOM 628 N GLN A 361 4.777 6.085 1.663 1.00 0.00 N ATOM 629 CA GLN A 361 5.478 7.369 1.666 1.00 0.00 C ATOM 630 C GLN A 361 6.868 7.225 2.275 1.00 0.00 C ATOM 631 O GLN A 361 7.861 7.679 1.701 1.00 0.00 O ATOM 632 CB GLN A 361 4.672 8.416 2.443 1.00 0.00 C ATOM 633 CG GLN A 361 5.346 9.779 2.518 1.00 0.00 C ATOM 634 CD GLN A 361 5.601 10.382 1.151 1.00 0.00 C ATOM 635 OE1 GLN A 361 4.862 10.134 0.201 1.00 0.00 O ATOM 636 NE2 GLN A 361 6.654 11.175 1.042 1.00 0.00 N ATOM 0 H GLN A 361 3.842 6.117 2.069 1.00 0.00 H new ATOM 0 HA GLN A 361 5.584 7.699 0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 361 3.695 8.530 1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 361 4.499 8.050 3.455 1.00 0.00 H new ATOM 0 HG2 GLN A 361 4.721 10.457 3.099 1.00 0.00 H new ATOM 0 HG3 GLN A 361 6.292 9.683 3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 361 7.243 11.356 1.855 1.00 0.00 H new ATOM 0 HE22 GLN A 361 6.877 11.606 0.145 1.00 0.00 H new ATOM 645 N LYS A 362 6.932 6.569 3.428 1.00 0.00 N ATOM 646 CA LYS A 362 8.196 6.340 4.109 1.00 0.00 C ATOM 647 C LYS A 362 9.123 5.478 3.260 1.00 0.00 C ATOM 648 O LYS A 362 10.304 5.786 3.118 1.00 0.00 O ATOM 649 CB LYS A 362 7.966 5.653 5.455 1.00 0.00 C ATOM 650 CG LYS A 362 7.173 6.483 6.451 1.00 0.00 C ATOM 651 CD LYS A 362 6.962 5.731 7.758 1.00 0.00 C ATOM 652 CE LYS A 362 6.111 4.486 7.556 1.00 0.00 C ATOM 653 NZ LYS A 362 6.031 3.649 8.781 1.00 0.00 N ATOM 0 H LYS A 362 6.119 6.186 3.910 1.00 0.00 H new ATOM 0 HA LYS A 362 8.662 7.311 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 362 7.443 4.712 5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 362 8.933 5.405 5.894 1.00 0.00 H new ATOM 0 HG2 LYS A 362 7.698 7.417 6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 362 6.207 6.745 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 362 7.928 5.448 8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 362 6.481 6.388 8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 362 5.106 4.781 7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 362 6.527 3.893 6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 362 5.797 2.670 8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 362 6.947 3.666 9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 362 5.293 4.024 9.410 1.00 0.00 H new ATOM 667 N GLU A 363 8.572 4.413 2.685 1.00 0.00 N ATOM 668 CA GLU A 363 9.368 3.438 1.946 1.00 0.00 C ATOM 669 C GLU A 363 9.896 4.010 0.632 1.00 0.00 C ATOM 670 O GLU A 363 11.044 3.761 0.265 1.00 0.00 O ATOM 671 CB GLU A 363 8.556 2.170 1.683 1.00 0.00 C ATOM 672 CG GLU A 363 8.057 1.493 2.949 1.00 0.00 C ATOM 673 CD GLU A 363 9.150 1.295 3.981 1.00 0.00 C ATOM 674 OE1 GLU A 363 10.149 0.613 3.676 1.00 0.00 O ATOM 675 OE2 GLU A 363 9.006 1.814 5.112 1.00 0.00 O ATOM 0 H GLU A 363 7.574 4.203 2.717 1.00 0.00 H new ATOM 0 HA GLU A 363 10.229 3.187 2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 363 7.702 2.420 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 363 9.170 1.465 1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 363 7.257 2.092 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 363 7.627 0.525 2.692 1.00 0.00 H new ATOM 682 N MET A 364 9.068 4.776 -0.079 1.00 0.00 N ATOM 683 CA MET A 364 9.514 5.415 -1.317 1.00 0.00 C ATOM 684 C MET A 364 10.686 6.340 -1.033 1.00 0.00 C ATOM 685 O MET A 364 11.707 6.309 -1.726 1.00 0.00 O ATOM 686 CB MET A 364 8.393 6.215 -1.986 1.00 0.00 C ATOM 687 CG MET A 364 7.364 5.372 -2.725 1.00 0.00 C ATOM 688 SD MET A 364 6.431 6.340 -3.933 1.00 0.00 S ATOM 689 CE MET A 364 5.933 7.752 -2.944 1.00 0.00 C ATOM 0 H MET A 364 8.099 4.967 0.176 1.00 0.00 H new ATOM 0 HA MET A 364 9.818 4.621 -1.999 1.00 0.00 H new ATOM 0 HB2 MET A 364 7.881 6.804 -1.225 1.00 0.00 H new ATOM 0 HB3 MET A 364 8.838 6.920 -2.689 1.00 0.00 H new ATOM 0 HG2 MET A 364 7.867 4.549 -3.232 1.00 0.00 H new ATOM 0 HG3 MET A 364 6.675 4.930 -2.006 1.00 0.00 H new ATOM 0 HE1 MET A 364 5.010 8.170 -3.346 1.00 0.00 H new ATOM 0 HE2 MET A 364 5.769 7.435 -1.914 1.00 0.00 H new ATOM 0 HE3 MET A 364 6.717 8.509 -2.971 1.00 0.00 H new ATOM 699 N ASP A 365 10.532 7.153 0.003 1.00 0.00 N ATOM 700 CA ASP A 365 11.582 8.066 0.430 1.00 0.00 C ATOM 701 C ASP A 365 12.792 7.289 0.945 1.00 0.00 C ATOM 702 O ASP A 365 13.939 7.702 0.756 1.00 0.00 O ATOM 703 CB ASP A 365 11.049 9.001 1.518 1.00 0.00 C ATOM 704 CG ASP A 365 12.122 9.904 2.090 1.00 0.00 C ATOM 705 OD1 ASP A 365 12.483 10.901 1.433 1.00 0.00 O ATOM 706 OD2 ASP A 365 12.600 9.626 3.209 1.00 0.00 O ATOM 0 H ASP A 365 9.683 7.198 0.567 1.00 0.00 H new ATOM 0 HA ASP A 365 11.897 8.662 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 365 10.247 9.613 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 365 10.614 8.406 2.321 1.00 0.00 H new ATOM 711 N GLN A 366 12.522 6.153 1.579 1.00 0.00 N ATOM 712 CA GLN A 366 13.571 5.287 2.101 1.00 0.00 C ATOM 713 C GLN A 366 14.450 4.765 0.975 1.00 0.00 C ATOM 714 O GLN A 366 15.671 4.834 1.060 1.00 0.00 O ATOM 715 CB GLN A 366 12.961 4.110 2.870 1.00 0.00 C ATOM 716 CG GLN A 366 13.987 3.127 3.416 1.00 0.00 C ATOM 717 CD GLN A 366 14.803 3.683 4.570 1.00 0.00 C ATOM 718 OE1 GLN A 366 15.045 4.887 4.660 1.00 0.00 O ATOM 719 NE2 GLN A 366 15.233 2.806 5.463 1.00 0.00 N ATOM 0 H GLN A 366 11.576 5.809 1.744 1.00 0.00 H new ATOM 0 HA GLN A 366 14.186 5.876 2.781 1.00 0.00 H new ATOM 0 HB2 GLN A 366 12.369 4.499 3.699 1.00 0.00 H new ATOM 0 HB3 GLN A 366 12.276 3.576 2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 366 13.474 2.224 3.746 1.00 0.00 H new ATOM 0 HG3 GLN A 366 14.662 2.834 2.612 1.00 0.00 H new ATOM 0 HE21 GLN A 366 15.012 1.816 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 366 15.786 3.120 6.261 1.00 0.00 H new ATOM 728 N LYS A 367 13.830 4.254 -0.085 1.00 0.00 N ATOM 729 CA LYS A 367 14.579 3.713 -1.214 1.00 0.00 C ATOM 730 C LYS A 367 15.471 4.779 -1.831 1.00 0.00 C ATOM 731 O LYS A 367 16.620 4.509 -2.159 1.00 0.00 O ATOM 732 CB LYS A 367 13.648 3.138 -2.282 1.00 0.00 C ATOM 733 CG LYS A 367 14.396 2.613 -3.499 1.00 0.00 C ATOM 734 CD LYS A 367 13.461 1.990 -4.519 1.00 0.00 C ATOM 735 CE LYS A 367 14.196 1.636 -5.803 1.00 0.00 C ATOM 736 NZ LYS A 367 15.302 0.668 -5.577 1.00 0.00 N ATOM 0 H LYS A 367 12.816 4.203 -0.185 1.00 0.00 H new ATOM 0 HA LYS A 367 15.201 2.905 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 367 13.060 2.330 -1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 367 12.946 3.909 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 367 14.948 3.429 -3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 367 15.130 1.873 -3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 367 13.007 1.092 -4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 367 12.650 2.683 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 367 13.489 1.215 -6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 367 14.599 2.545 -6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 15.649 0.317 -6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 16.078 1.140 -5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 14.954 -0.131 -5.010 1.00 0.00 H new ATOM 750 N ASP A 368 14.945 5.987 -1.974 1.00 0.00 N ATOM 751 CA ASP A 368 15.719 7.083 -2.546 1.00 0.00 C ATOM 752 C ASP A 368 16.900 7.418 -1.641 1.00 0.00 C ATOM 753 O ASP A 368 18.012 7.658 -2.114 1.00 0.00 O ATOM 754 CB ASP A 368 14.843 8.319 -2.744 1.00 0.00 C ATOM 755 CG ASP A 368 15.555 9.404 -3.526 1.00 0.00 C ATOM 756 OD1 ASP A 368 15.479 9.387 -4.772 1.00 0.00 O ATOM 757 OD2 ASP A 368 16.185 10.282 -2.902 1.00 0.00 O ATOM 0 H ASP A 368 13.993 6.234 -1.705 1.00 0.00 H new ATOM 0 HA ASP A 368 16.094 6.768 -3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 368 13.930 8.035 -3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 368 14.544 8.710 -1.772 1.00 0.00 H new ATOM 762 N ALA A 369 16.652 7.404 -0.337 1.00 0.00 N ATOM 763 CA ALA A 369 17.694 7.658 0.648 1.00 0.00 C ATOM 764 C ALA A 369 18.729 6.540 0.634 1.00 0.00 C ATOM 765 O ALA A 369 19.930 6.788 0.750 1.00 0.00 O ATOM 766 CB ALA A 369 17.089 7.798 2.036 1.00 0.00 C ATOM 0 H ALA A 369 15.733 7.218 0.064 1.00 0.00 H new ATOM 0 HA ALA A 369 18.191 8.593 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 369 17.881 7.987 2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 369 16.384 8.629 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 369 16.568 6.878 2.300 1.00 0.00 H new ATOM 772 N LEU A 370 18.249 5.308 0.495 1.00 0.00 N ATOM 773 CA LEU A 370 19.120 4.146 0.420 1.00 0.00 C ATOM 774 C LEU A 370 19.940 4.179 -0.866 1.00 0.00 C ATOM 775 O LEU A 370 21.136 3.897 -0.852 1.00 0.00 O ATOM 776 CB LEU A 370 18.308 2.845 0.495 1.00 0.00 C ATOM 777 CG LEU A 370 17.577 2.591 1.816 1.00 0.00 C ATOM 778 CD1 LEU A 370 16.846 1.262 1.764 1.00 0.00 C ATOM 779 CD2 LEU A 370 18.544 2.616 2.989 1.00 0.00 C ATOM 0 H LEU A 370 17.254 5.091 0.432 1.00 0.00 H new ATOM 0 HA LEU A 370 19.798 4.177 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 370 17.573 2.851 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 370 18.980 2.008 0.307 1.00 0.00 H new ATOM 0 HG LEU A 370 16.849 3.390 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 370 16.330 1.093 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 370 16.119 1.278 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 370 17.563 0.459 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 370 17.998 2.433 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 370 19.300 1.842 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 370 19.028 3.591 3.040 1.00 0.00 H new ATOM 791 N ASN A 371 19.286 4.530 -1.970 1.00 0.00 N ATOM 792 CA ASN A 371 19.957 4.676 -3.261 1.00 0.00 C ATOM 793 C ASN A 371 21.066 5.715 -3.179 1.00 0.00 C ATOM 794 O ASN A 371 22.194 5.468 -3.609 1.00 0.00 O ATOM 795 CB ASN A 371 18.955 5.077 -4.352 1.00 0.00 C ATOM 796 CG ASN A 371 18.196 3.897 -4.934 1.00 0.00 C ATOM 797 OD1 ASN A 371 17.984 2.877 -4.274 1.00 0.00 O ATOM 798 ND2 ASN A 371 17.777 4.030 -6.182 1.00 0.00 N ATOM 0 H ASN A 371 18.284 4.720 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 371 20.395 3.712 -3.519 1.00 0.00 H new ATOM 0 HB2 ASN A 371 18.242 5.789 -3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 371 19.487 5.589 -5.154 1.00 0.00 H new ATOM 0 HD21 ASN A 371 17.260 3.274 -6.630 1.00 0.00 H new ATOM 0 HD22 ASN A 371 17.971 4.889 -6.696 1.00 0.00 H new ATOM 805 N LYS A 372 20.740 6.874 -2.615 1.00 0.00 N ATOM 806 CA LYS A 372 21.715 7.942 -2.428 1.00 0.00 C ATOM 807 C LYS A 372 22.878 7.461 -1.569 1.00 0.00 C ATOM 808 O LYS A 372 24.042 7.618 -1.935 1.00 0.00 O ATOM 809 CB LYS A 372 21.062 9.151 -1.757 1.00 0.00 C ATOM 810 CG LYS A 372 22.011 10.324 -1.562 1.00 0.00 C ATOM 811 CD LYS A 372 21.422 11.375 -0.631 1.00 0.00 C ATOM 812 CE LYS A 372 20.128 11.961 -1.173 1.00 0.00 C ATOM 813 NZ LYS A 372 20.335 12.711 -2.439 1.00 0.00 N ATOM 0 H LYS A 372 19.803 7.098 -2.278 1.00 0.00 H new ATOM 0 HA LYS A 372 22.089 8.231 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 372 20.214 9.477 -2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 372 20.667 8.849 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 372 22.955 9.964 -1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 372 22.233 10.777 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 372 21.236 10.929 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 372 22.148 12.175 -0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 372 19.411 11.158 -1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 372 19.692 12.625 -0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 19.447 13.176 -2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 21.074 13.430 -2.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 20.629 12.053 -3.188 1.00 0.00 H new ATOM 827 N MET A 373 22.548 6.869 -0.429 1.00 0.00 N ATOM 828 CA MET A 373 23.556 6.397 0.510 1.00 0.00 C ATOM 829 C MET A 373 24.409 5.299 -0.116 1.00 0.00 C ATOM 830 O MET A 373 25.614 5.237 0.111 1.00 0.00 O ATOM 831 CB MET A 373 22.894 5.904 1.799 1.00 0.00 C ATOM 832 CG MET A 373 23.880 5.416 2.846 1.00 0.00 C ATOM 833 SD MET A 373 23.113 5.145 4.457 1.00 0.00 S ATOM 834 CE MET A 373 21.835 3.961 4.041 1.00 0.00 C ATOM 0 H MET A 373 21.586 6.704 -0.132 1.00 0.00 H new ATOM 0 HA MET A 373 24.213 7.231 0.758 1.00 0.00 H new ATOM 0 HB2 MET A 373 22.299 6.713 2.223 1.00 0.00 H new ATOM 0 HB3 MET A 373 22.206 5.095 1.556 1.00 0.00 H new ATOM 0 HG2 MET A 373 24.335 4.486 2.504 1.00 0.00 H new ATOM 0 HG3 MET A 373 24.684 6.145 2.949 1.00 0.00 H new ATOM 0 HE1 MET A 373 21.706 3.260 4.866 1.00 0.00 H new ATOM 0 HE2 MET A 373 20.897 4.486 3.861 1.00 0.00 H new ATOM 0 HE3 MET A 373 22.123 3.415 3.143 1.00 0.00 H new ATOM 844 N LYS A 374 23.783 4.443 -0.915 1.00 0.00 N ATOM 845 CA LYS A 374 24.507 3.401 -1.628 1.00 0.00 C ATOM 846 C LYS A 374 25.509 4.026 -2.586 1.00 0.00 C ATOM 847 O LYS A 374 26.653 3.595 -2.663 1.00 0.00 O ATOM 848 CB LYS A 374 23.544 2.500 -2.402 1.00 0.00 C ATOM 849 CG LYS A 374 24.232 1.365 -3.148 1.00 0.00 C ATOM 850 CD LYS A 374 23.250 0.604 -4.021 1.00 0.00 C ATOM 851 CE LYS A 374 22.793 1.437 -5.210 1.00 0.00 C ATOM 852 NZ LYS A 374 23.667 1.255 -6.395 1.00 0.00 N ATOM 0 H LYS A 374 22.777 4.451 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 374 25.037 2.792 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 374 22.818 2.078 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 374 22.987 3.107 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 374 25.035 1.767 -3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 374 24.691 0.682 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 374 23.716 -0.315 -4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 374 22.384 0.312 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 374 21.770 1.164 -5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 374 22.780 2.490 -4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 374 23.104 1.370 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 374 24.427 1.965 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 374 24.083 0.302 -6.376 1.00 0.00 H new ATOM 866 N ASP A 375 25.066 5.055 -3.298 1.00 0.00 N ATOM 867 CA ASP A 375 25.922 5.772 -4.232 1.00 0.00 C ATOM 868 C ASP A 375 27.109 6.384 -3.495 1.00 0.00 C ATOM 869 O ASP A 375 28.221 6.446 -4.021 1.00 0.00 O ATOM 870 CB ASP A 375 25.122 6.858 -4.953 1.00 0.00 C ATOM 871 CG ASP A 375 25.896 7.512 -6.078 1.00 0.00 C ATOM 872 OD1 ASP A 375 26.023 6.895 -7.155 1.00 0.00 O ATOM 873 OD2 ASP A 375 26.363 8.653 -5.899 1.00 0.00 O ATOM 0 H ASP A 375 24.112 5.413 -3.245 1.00 0.00 H new ATOM 0 HA ASP A 375 26.300 5.069 -4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 375 24.207 6.422 -5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 375 24.823 7.620 -4.233 1.00 0.00 H new ATOM 878 N VAL A 376 26.863 6.832 -2.266 1.00 0.00 N ATOM 879 CA VAL A 376 27.931 7.309 -1.399 1.00 0.00 C ATOM 880 C VAL A 376 28.915 6.183 -1.109 1.00 0.00 C ATOM 881 O VAL A 376 30.113 6.347 -1.281 1.00 0.00 O ATOM 882 CB VAL A 376 27.392 7.867 -0.062 1.00 0.00 C ATOM 883 CG1 VAL A 376 28.542 8.277 0.853 1.00 0.00 C ATOM 884 CG2 VAL A 376 26.458 9.043 -0.309 1.00 0.00 C ATOM 0 H VAL A 376 25.932 6.874 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 376 28.432 8.120 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 376 26.826 7.078 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 376 28.141 8.667 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 376 29.169 7.410 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 376 29.139 9.048 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 376 26.089 9.421 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 376 26.999 9.834 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 376 25.616 8.717 -0.920 1.00 0.00 H new ATOM 894 N TYR A 377 28.391 5.037 -0.691 1.00 0.00 N ATOM 895 CA TYR A 377 29.215 3.868 -0.380 1.00 0.00 C ATOM 896 C TYR A 377 30.004 3.395 -1.603 1.00 0.00 C ATOM 897 O TYR A 377 31.168 3.015 -1.492 1.00 0.00 O ATOM 898 CB TYR A 377 28.338 2.721 0.130 1.00 0.00 C ATOM 899 CG TYR A 377 27.927 2.821 1.586 1.00 0.00 C ATOM 900 CD1 TYR A 377 27.401 3.993 2.117 1.00 0.00 C ATOM 901 CD2 TYR A 377 28.051 1.724 2.426 1.00 0.00 C ATOM 902 CE1 TYR A 377 27.013 4.064 3.443 1.00 0.00 C ATOM 903 CE2 TYR A 377 27.668 1.788 3.750 1.00 0.00 C ATOM 904 CZ TYR A 377 27.150 2.958 4.254 1.00 0.00 C ATOM 905 OH TYR A 377 26.766 3.021 5.574 1.00 0.00 O ATOM 0 H TYR A 377 27.391 4.889 -0.558 1.00 0.00 H new ATOM 0 HA TYR A 377 29.923 4.164 0.394 1.00 0.00 H new ATOM 0 HB2 TYR A 377 27.438 2.673 -0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 377 28.873 1.783 -0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 377 27.294 4.862 1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 377 28.455 0.802 2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 377 26.605 4.981 3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 377 27.775 0.923 4.388 1.00 0.00 H new ATOM 0 HH TYR A 377 26.929 2.155 6.004 1.00 0.00 H new ATOM 915 N GLU A 378 29.358 3.415 -2.762 1.00 0.00 N ATOM 916 CA GLU A 378 29.972 2.939 -3.999 1.00 0.00 C ATOM 917 C GLU A 378 31.112 3.845 -4.445 1.00 0.00 C ATOM 918 O GLU A 378 32.193 3.370 -4.790 1.00 0.00 O ATOM 919 CB GLU A 378 28.920 2.835 -5.109 1.00 0.00 C ATOM 920 CG GLU A 378 27.849 1.794 -4.847 1.00 0.00 C ATOM 921 CD GLU A 378 26.860 1.688 -5.987 1.00 0.00 C ATOM 922 OE1 GLU A 378 25.988 2.572 -6.107 1.00 0.00 O ATOM 923 OE2 GLU A 378 26.947 0.720 -6.770 1.00 0.00 O ATOM 0 H GLU A 378 28.404 3.757 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 378 30.387 1.951 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 378 28.444 3.807 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 378 29.420 2.599 -6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 378 28.320 0.824 -4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 378 27.317 2.046 -3.930 1.00 0.00 H new ATOM 930 N LYS A 379 30.871 5.147 -4.441 1.00 0.00 N ATOM 931 CA LYS A 379 31.883 6.102 -4.873 1.00 0.00 C ATOM 932 C LYS A 379 32.882 6.384 -3.756 1.00 0.00 C ATOM 933 O LYS A 379 34.048 6.687 -4.011 1.00 0.00 O ATOM 934 CB LYS A 379 31.224 7.403 -5.338 1.00 0.00 C ATOM 935 CG LYS A 379 30.340 7.231 -6.563 1.00 0.00 C ATOM 936 CD LYS A 379 29.709 8.548 -6.986 1.00 0.00 C ATOM 937 CE LYS A 379 28.841 8.385 -8.225 1.00 0.00 C ATOM 938 NZ LYS A 379 29.636 7.998 -9.420 1.00 0.00 N ATOM 0 H LYS A 379 29.989 5.566 -4.145 1.00 0.00 H new ATOM 0 HA LYS A 379 32.426 5.664 -5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 379 30.626 7.810 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 379 32.000 8.135 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 379 30.931 6.829 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 379 29.557 6.504 -6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 379 29.105 8.941 -6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 379 30.492 9.280 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 379 28.080 7.628 -8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 379 28.318 9.320 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 379 29.045 8.079 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 379 30.459 8.628 -9.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 379 29.962 7.016 -9.317 1.00 0.00 H new ATOM 952 N ASN A 380 32.423 6.274 -2.520 1.00 0.00 N ATOM 953 CA ASN A 380 33.264 6.540 -1.362 1.00 0.00 C ATOM 954 C ASN A 380 33.078 5.466 -0.293 1.00 0.00 C ATOM 955 O ASN A 380 32.257 5.618 0.617 1.00 0.00 O ATOM 956 CB ASN A 380 32.953 7.916 -0.762 1.00 0.00 C ATOM 957 CG ASN A 380 33.329 9.063 -1.676 1.00 0.00 C ATOM 958 OD1 ASN A 380 34.462 9.540 -1.656 1.00 0.00 O ATOM 959 ND2 ASN A 380 32.376 9.528 -2.469 1.00 0.00 N ATOM 0 H ASN A 380 31.467 6.001 -2.291 1.00 0.00 H new ATOM 0 HA ASN A 380 34.300 6.527 -1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 380 31.888 7.974 -0.535 1.00 0.00 H new ATOM 0 HB3 ASN A 380 33.486 8.022 0.183 1.00 0.00 H new ATOM 0 HD21 ASN A 380 32.569 10.311 -3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 380 31.449 9.104 -2.455 1.00 0.00 H new ATOM 966 N PRO A 381 33.834 4.357 -0.404 1.00 0.00 N ATOM 967 CA PRO A 381 33.865 3.276 0.605 1.00 0.00 C ATOM 968 C PRO A 381 34.154 3.760 2.032 1.00 0.00 C ATOM 969 O PRO A 381 34.134 2.969 2.976 1.00 0.00 O ATOM 970 CB PRO A 381 35.011 2.386 0.125 1.00 0.00 C ATOM 971 CG PRO A 381 35.068 2.601 -1.344 1.00 0.00 C ATOM 972 CD PRO A 381 34.674 4.034 -1.571 1.00 0.00 C ATOM 0 HA PRO A 381 32.894 2.785 0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 381 35.952 2.661 0.602 1.00 0.00 H new ATOM 0 HB3 PRO A 381 34.826 1.339 0.365 1.00 0.00 H new ATOM 0 HG2 PRO A 381 36.070 2.407 -1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 381 34.390 1.923 -1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 381 35.547 4.685 -1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 381 34.125 4.155 -2.505 1.00 0.00 H new ATOM 980 N GLN A 382 34.418 5.055 2.184 1.00 0.00 N ATOM 981 CA GLN A 382 34.669 5.664 3.487 1.00 0.00 C ATOM 982 C GLN A 382 33.515 5.412 4.461 1.00 0.00 C ATOM 983 O GLN A 382 33.690 5.483 5.679 1.00 0.00 O ATOM 984 CB GLN A 382 34.874 7.170 3.325 1.00 0.00 C ATOM 985 CG GLN A 382 33.600 7.909 2.979 1.00 0.00 C ATOM 986 CD GLN A 382 33.810 9.395 2.769 1.00 0.00 C ATOM 987 OE1 GLN A 382 34.707 9.998 3.355 1.00 0.00 O ATOM 988 NE2 GLN A 382 32.976 9.997 1.936 1.00 0.00 N ATOM 0 H GLN A 382 34.464 5.713 1.406 1.00 0.00 H new ATOM 0 HA GLN A 382 35.568 5.206 3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 382 35.283 7.576 4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 382 35.614 7.348 2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 382 33.172 7.478 2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 382 32.873 7.761 3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 382 32.245 9.460 1.470 1.00 0.00 H new ATOM 0 HE22 GLN A 382 33.064 10.998 1.760 1.00 0.00 H new ATOM 997 N MET A 383 32.337 5.127 3.923 1.00 0.00 N ATOM 998 CA MET A 383 31.152 4.943 4.748 1.00 0.00 C ATOM 999 C MET A 383 30.848 3.465 4.978 1.00 0.00 C ATOM 1000 O MET A 383 29.979 3.126 5.781 1.00 0.00 O ATOM 1001 CB MET A 383 29.946 5.634 4.108 1.00 0.00 C ATOM 1002 CG MET A 383 30.128 7.131 3.917 1.00 0.00 C ATOM 1003 SD MET A 383 30.492 8.000 5.456 1.00 0.00 S ATOM 1004 CE MET A 383 28.974 7.724 6.369 1.00 0.00 C ATOM 0 H MET A 383 32.177 5.019 2.921 1.00 0.00 H new ATOM 0 HA MET A 383 31.353 5.397 5.718 1.00 0.00 H new ATOM 0 HB2 MET A 383 29.747 5.175 3.140 1.00 0.00 H new ATOM 0 HB3 MET A 383 29.067 5.460 4.729 1.00 0.00 H new ATOM 0 HG2 MET A 383 30.937 7.305 3.208 1.00 0.00 H new ATOM 0 HG3 MET A 383 29.223 7.548 3.476 1.00 0.00 H new ATOM 0 HE1 MET A 383 28.938 8.395 7.227 1.00 0.00 H new ATOM 0 HE2 MET A 383 28.119 7.917 5.721 1.00 0.00 H new ATOM 0 HE3 MET A 383 28.940 6.691 6.715 1.00 0.00 H new ATOM 1014 N GLY A 384 31.570 2.588 4.292 1.00 0.00 N ATOM 1015 CA GLY A 384 31.341 1.161 4.443 1.00 0.00 C ATOM 1016 C GLY A 384 31.237 0.450 3.109 1.00 0.00 C ATOM 1017 O GLY A 384 31.756 0.932 2.102 1.00 0.00 O ATOM 0 H GLY A 384 32.309 2.837 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 384 32.154 0.724 5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 384 30.424 1.001 5.010 1.00 0.00 H new ATOM 1021 N ASP A 385 30.569 -0.695 3.096 1.00 0.00 N ATOM 1022 CA ASP A 385 30.393 -1.459 1.868 1.00 0.00 C ATOM 1023 C ASP A 385 28.962 -1.326 1.356 1.00 0.00 C ATOM 1024 O ASP A 385 27.999 -1.493 2.106 1.00 0.00 O ATOM 1025 CB ASP A 385 30.754 -2.938 2.074 1.00 0.00 C ATOM 1026 CG ASP A 385 29.785 -3.682 2.973 1.00 0.00 C ATOM 1027 OD1 ASP A 385 29.959 -3.639 4.208 1.00 0.00 O ATOM 1028 OD2 ASP A 385 28.856 -4.333 2.447 1.00 0.00 O ATOM 0 H ASP A 385 30.140 -1.115 3.921 1.00 0.00 H new ATOM 0 HA ASP A 385 31.072 -1.049 1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 385 30.789 -3.433 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 385 31.755 -3.003 2.501 1.00 0.00 H new ATOM 1033 N PRO A 386 28.810 -0.998 0.064 1.00 0.00 N ATOM 1034 CA PRO A 386 27.495 -0.810 -0.557 1.00 0.00 C ATOM 1035 C PRO A 386 26.727 -2.119 -0.695 1.00 0.00 C ATOM 1036 O PRO A 386 25.513 -2.123 -0.905 1.00 0.00 O ATOM 1037 CB PRO A 386 27.826 -0.236 -1.937 1.00 0.00 C ATOM 1038 CG PRO A 386 29.217 -0.688 -2.221 1.00 0.00 C ATOM 1039 CD PRO A 386 29.913 -0.768 -0.891 1.00 0.00 C ATOM 0 HA PRO A 386 26.853 -0.165 0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 386 27.131 -0.601 -2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 386 27.757 0.852 -1.939 1.00 0.00 H new ATOM 0 HG2 PRO A 386 29.217 -1.658 -2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 386 29.725 0.011 -2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 386 30.640 -1.580 -0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 386 30.454 0.151 -0.665 1.00 0.00 H new ATOM 1047 N SER A 387 27.443 -3.227 -0.570 1.00 0.00 N ATOM 1048 CA SER A 387 26.849 -4.549 -0.662 1.00 0.00 C ATOM 1049 C SER A 387 25.852 -4.787 0.469 1.00 0.00 C ATOM 1050 O SER A 387 24.799 -5.389 0.263 1.00 0.00 O ATOM 1051 CB SER A 387 27.959 -5.599 -0.641 1.00 0.00 C ATOM 1052 OG SER A 387 29.116 -5.092 0.006 1.00 0.00 O ATOM 0 H SER A 387 28.449 -3.233 -0.402 1.00 0.00 H new ATOM 0 HA SER A 387 26.297 -4.626 -1.599 1.00 0.00 H new ATOM 0 HB2 SER A 387 27.610 -6.494 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 387 28.206 -5.895 -1.661 1.00 0.00 H new ATOM 0 HG SER A 387 28.895 -4.851 0.930 1.00 0.00 H new ATOM 1058 N SER A 388 26.176 -4.280 1.652 1.00 0.00 N ATOM 1059 CA SER A 388 25.320 -4.439 2.821 1.00 0.00 C ATOM 1060 C SER A 388 24.005 -3.678 2.648 1.00 0.00 C ATOM 1061 O SER A 388 23.021 -3.953 3.337 1.00 0.00 O ATOM 1062 CB SER A 388 26.057 -3.947 4.073 1.00 0.00 C ATOM 1063 OG SER A 388 25.303 -4.189 5.250 1.00 0.00 O ATOM 0 H SER A 388 27.031 -3.752 1.828 1.00 0.00 H new ATOM 0 HA SER A 388 25.083 -5.497 2.934 1.00 0.00 H new ATOM 0 HB2 SER A 388 27.022 -4.448 4.149 1.00 0.00 H new ATOM 0 HB3 SER A 388 26.258 -2.880 3.982 1.00 0.00 H new ATOM 0 HG SER A 388 25.801 -3.865 6.030 1.00 0.00 H new ATOM 1069 N LEU A 389 23.984 -2.734 1.719 1.00 0.00 N ATOM 1070 CA LEU A 389 22.800 -1.921 1.493 1.00 0.00 C ATOM 1071 C LEU A 389 21.876 -2.574 0.472 1.00 0.00 C ATOM 1072 O LEU A 389 20.709 -2.201 0.356 1.00 0.00 O ATOM 1073 CB LEU A 389 23.199 -0.519 1.028 1.00 0.00 C ATOM 1074 CG LEU A 389 24.099 0.252 1.996 1.00 0.00 C ATOM 1075 CD1 LEU A 389 24.487 1.593 1.401 1.00 0.00 C ATOM 1076 CD2 LEU A 389 23.408 0.448 3.338 1.00 0.00 C ATOM 0 H LEU A 389 24.772 -2.513 1.111 1.00 0.00 H new ATOM 0 HA LEU A 389 22.260 -1.839 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 389 23.710 -0.602 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 389 22.293 0.062 0.857 1.00 0.00 H new ATOM 0 HG LEU A 389 25.004 -0.333 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 389 25.127 2.130 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 389 25.024 1.434 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 389 23.588 2.179 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 389 24.067 0.998 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 389 22.485 1.010 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 389 23.176 -0.524 3.773 1.00 0.00 H new ATOM 1088 N HIS A 390 22.393 -3.566 -0.246 1.00 0.00 N ATOM 1089 CA HIS A 390 21.615 -4.253 -1.278 1.00 0.00 C ATOM 1090 C HIS A 390 20.375 -4.948 -0.700 1.00 0.00 C ATOM 1091 O HIS A 390 19.266 -4.695 -1.170 1.00 0.00 O ATOM 1092 CB HIS A 390 22.477 -5.257 -2.054 1.00 0.00 C ATOM 1093 CG HIS A 390 23.288 -4.638 -3.149 1.00 0.00 C ATOM 1094 ND1 HIS A 390 23.726 -5.344 -4.249 1.00 0.00 N ATOM 1095 CD2 HIS A 390 23.741 -3.373 -3.316 1.00 0.00 C ATOM 1096 CE1 HIS A 390 24.409 -4.542 -5.041 1.00 0.00 C ATOM 1097 NE2 HIS A 390 24.433 -3.339 -4.499 1.00 0.00 N ATOM 0 H HIS A 390 23.345 -3.914 -0.135 1.00 0.00 H new ATOM 0 HA HIS A 390 21.272 -3.485 -1.971 1.00 0.00 H new ATOM 0 HB2 HIS A 390 23.148 -5.760 -1.358 1.00 0.00 H new ATOM 0 HB3 HIS A 390 21.830 -6.022 -2.482 1.00 0.00 H new ATOM 0 HD2 HIS A 390 23.586 -2.544 -2.642 1.00 0.00 H new ATOM 0 HE1 HIS A 390 24.871 -4.822 -5.976 1.00 0.00 H new ATOM 0 HE2 HIS A 390 24.891 -2.518 -4.895 1.00 0.00 H new ATOM 1106 N PRO A 391 20.521 -5.824 0.325 1.00 0.00 N ATOM 1107 CA PRO A 391 19.371 -6.508 0.935 1.00 0.00 C ATOM 1108 C PRO A 391 18.350 -5.526 1.501 1.00 0.00 C ATOM 1109 O PRO A 391 17.149 -5.806 1.532 1.00 0.00 O ATOM 1110 CB PRO A 391 19.988 -7.345 2.063 1.00 0.00 C ATOM 1111 CG PRO A 391 21.337 -6.755 2.295 1.00 0.00 C ATOM 1112 CD PRO A 391 21.786 -6.233 0.964 1.00 0.00 C ATOM 0 HA PRO A 391 18.826 -7.104 0.203 1.00 0.00 H new ATOM 0 HB2 PRO A 391 19.378 -7.300 2.965 1.00 0.00 H new ATOM 0 HB3 PRO A 391 20.061 -8.395 1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 391 21.293 -5.955 3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 391 22.031 -7.504 2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 391 22.474 -5.394 1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 391 22.303 -6.998 0.384 1.00 0.00 H new ATOM 1120 N LYS A 392 18.837 -4.368 1.932 1.00 0.00 N ATOM 1121 CA LYS A 392 17.979 -3.326 2.470 1.00 0.00 C ATOM 1122 C LYS A 392 17.106 -2.744 1.366 1.00 0.00 C ATOM 1123 O LYS A 392 15.882 -2.697 1.491 1.00 0.00 O ATOM 1124 CB LYS A 392 18.821 -2.224 3.113 1.00 0.00 C ATOM 1125 CG LYS A 392 19.739 -2.730 4.213 1.00 0.00 C ATOM 1126 CD LYS A 392 20.530 -1.599 4.841 1.00 0.00 C ATOM 1127 CE LYS A 392 21.513 -2.112 5.883 1.00 0.00 C ATOM 1128 NZ LYS A 392 20.827 -2.814 7.001 1.00 0.00 N ATOM 0 H LYS A 392 19.828 -4.129 1.918 1.00 0.00 H new ATOM 0 HA LYS A 392 17.336 -3.763 3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 392 19.422 -1.740 2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 392 18.157 -1.464 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 392 19.148 -3.231 4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 392 20.425 -3.472 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 392 21.071 -1.058 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 392 19.845 -0.889 5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 392 22.221 -2.791 5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 392 22.089 -1.276 6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 21.511 -3.012 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 20.064 -2.213 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 20.425 -3.709 6.655 1.00 0.00 H new ATOM 1142 N ILE A 393 17.740 -2.321 0.276 1.00 0.00 N ATOM 1143 CA ILE A 393 17.023 -1.738 -0.853 1.00 0.00 C ATOM 1144 C ILE A 393 16.108 -2.775 -1.496 1.00 0.00 C ATOM 1145 O ILE A 393 15.004 -2.449 -1.932 1.00 0.00 O ATOM 1146 CB ILE A 393 17.985 -1.176 -1.923 1.00 0.00 C ATOM 1147 CG1 ILE A 393 18.954 -0.176 -1.293 1.00 0.00 C ATOM 1148 CG2 ILE A 393 17.201 -0.509 -3.049 1.00 0.00 C ATOM 1149 CD1 ILE A 393 19.994 0.356 -2.257 1.00 0.00 C ATOM 0 H ILE A 393 18.751 -2.371 0.151 1.00 0.00 H new ATOM 0 HA ILE A 393 16.430 -0.912 -0.460 1.00 0.00 H new ATOM 0 HB ILE A 393 18.557 -2.004 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 393 18.385 0.661 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 393 19.460 -0.654 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 393 17.895 -0.119 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 393 16.541 -1.240 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 393 16.606 0.309 -2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 393 20.645 1.059 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 393 20.589 -0.472 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 393 19.498 0.863 -3.084 1.00 0.00 H new ATOM 1161 N ALA A 394 16.572 -4.019 -1.538 1.00 0.00 N ATOM 1162 CA ALA A 394 15.787 -5.116 -2.088 1.00 0.00 C ATOM 1163 C ALA A 394 14.427 -5.209 -1.402 1.00 0.00 C ATOM 1164 O ALA A 394 13.386 -5.191 -2.063 1.00 0.00 O ATOM 1165 CB ALA A 394 16.543 -6.427 -1.950 1.00 0.00 C ATOM 0 H ALA A 394 17.493 -4.293 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 394 15.620 -4.919 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 394 15.944 -7.238 -2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 394 17.488 -6.361 -2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 394 16.740 -6.624 -0.896 1.00 0.00 H new ATOM 1171 N GLU A 395 14.442 -5.283 -0.076 1.00 0.00 N ATOM 1172 CA GLU A 395 13.207 -5.314 0.697 1.00 0.00 C ATOM 1173 C GLU A 395 12.430 -4.021 0.518 1.00 0.00 C ATOM 1174 O GLU A 395 11.234 -4.042 0.251 1.00 0.00 O ATOM 1175 CB GLU A 395 13.499 -5.532 2.180 1.00 0.00 C ATOM 1176 CG GLU A 395 13.982 -6.929 2.510 1.00 0.00 C ATOM 1177 CD GLU A 395 12.976 -7.996 2.132 1.00 0.00 C ATOM 1178 OE1 GLU A 395 11.999 -8.190 2.885 1.00 0.00 O ATOM 1179 OE2 GLU A 395 13.160 -8.658 1.090 1.00 0.00 O ATOM 0 H GLU A 395 15.293 -5.323 0.484 1.00 0.00 H new ATOM 0 HA GLU A 395 12.606 -6.146 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 395 14.252 -4.812 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 395 12.595 -5.326 2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 395 14.920 -7.118 1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 395 14.192 -6.994 3.578 1.00 0.00 H new ATOM 1186 N THR A 396 13.131 -2.902 0.646 1.00 0.00 N ATOM 1187 CA THR A 396 12.527 -1.584 0.533 1.00 0.00 C ATOM 1188 C THR A 396 11.740 -1.443 -0.774 1.00 0.00 C ATOM 1189 O THR A 396 10.578 -1.050 -0.762 1.00 0.00 O ATOM 1190 CB THR A 396 13.614 -0.493 0.632 1.00 0.00 C ATOM 1191 OG1 THR A 396 14.314 -0.635 1.873 1.00 0.00 O ATOM 1192 CG2 THR A 396 13.035 0.910 0.545 1.00 0.00 C ATOM 0 H THR A 396 14.134 -2.884 0.831 1.00 0.00 H new ATOM 0 HA THR A 396 11.825 -1.460 1.357 1.00 0.00 H new ATOM 0 HB THR A 396 14.290 -0.625 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 396 15.086 -1.226 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 396 13.840 1.641 0.620 1.00 0.00 H new ATOM 0 HG22 THR A 396 12.520 1.033 -0.408 1.00 0.00 H new ATOM 0 HG23 THR A 396 12.329 1.063 1.361 1.00 0.00 H new ATOM 1200 N THR A 397 12.360 -1.811 -1.891 1.00 0.00 N ATOM 1201 CA THR A 397 11.716 -1.699 -3.195 1.00 0.00 C ATOM 1202 C THR A 397 10.536 -2.666 -3.316 1.00 0.00 C ATOM 1203 O THR A 397 9.504 -2.335 -3.904 1.00 0.00 O ATOM 1204 CB THR A 397 12.718 -1.973 -4.334 1.00 0.00 C ATOM 1205 OG1 THR A 397 13.937 -1.254 -4.096 1.00 0.00 O ATOM 1206 CG2 THR A 397 12.137 -1.550 -5.676 1.00 0.00 C ATOM 0 H THR A 397 13.307 -2.189 -1.919 1.00 0.00 H new ATOM 0 HA THR A 397 11.347 -0.677 -3.283 1.00 0.00 H new ATOM 0 HB THR A 397 12.922 -3.043 -4.360 1.00 0.00 H new ATOM 0 HG1 THR A 397 14.445 -1.698 -3.386 1.00 0.00 H new ATOM 0 HG21 THR A 397 12.861 -1.752 -6.466 1.00 0.00 H new ATOM 0 HG22 THR A 397 11.222 -2.111 -5.870 1.00 0.00 H new ATOM 0 HG23 THR A 397 11.911 -0.484 -5.655 1.00 0.00 H new ATOM 1214 N SER A 398 10.689 -3.857 -2.751 1.00 0.00 N ATOM 1215 CA SER A 398 9.633 -4.859 -2.790 1.00 0.00 C ATOM 1216 C SER A 398 8.446 -4.422 -1.932 1.00 0.00 C ATOM 1217 O SER A 398 7.291 -4.544 -2.340 1.00 0.00 O ATOM 1218 CB SER A 398 10.174 -6.205 -2.306 1.00 0.00 C ATOM 1219 OG SER A 398 11.326 -6.582 -3.047 1.00 0.00 O ATOM 0 H SER A 398 11.534 -4.152 -2.261 1.00 0.00 H new ATOM 0 HA SER A 398 9.289 -4.966 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 398 10.422 -6.142 -1.246 1.00 0.00 H new ATOM 0 HB3 SER A 398 9.404 -6.970 -2.408 1.00 0.00 H new ATOM 0 HG SER A 398 12.132 -6.312 -2.559 1.00 0.00 H new ATOM 1225 N ASN A 399 8.744 -3.894 -0.753 1.00 0.00 N ATOM 1226 CA ASN A 399 7.713 -3.416 0.157 1.00 0.00 C ATOM 1227 C ASN A 399 6.987 -2.222 -0.446 1.00 0.00 C ATOM 1228 O ASN A 399 5.786 -2.057 -0.253 1.00 0.00 O ATOM 1229 CB ASN A 399 8.320 -3.050 1.517 1.00 0.00 C ATOM 1230 CG ASN A 399 8.849 -4.267 2.259 1.00 0.00 C ATOM 1231 OD1 ASN A 399 8.318 -5.371 2.126 1.00 0.00 O ATOM 1232 ND2 ASN A 399 9.905 -4.082 3.035 1.00 0.00 N ATOM 0 H ASN A 399 9.696 -3.786 -0.403 1.00 0.00 H new ATOM 0 HA ASN A 399 6.990 -4.217 0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 399 9.130 -2.336 1.370 1.00 0.00 H new ATOM 0 HB3 ASN A 399 7.565 -2.555 2.128 1.00 0.00 H new ATOM 0 HD21 ASN A 399 10.306 -4.868 3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 399 10.318 -3.153 3.121 1.00 0.00 H new ATOM 1239 N ILE A 400 7.724 -1.405 -1.193 1.00 0.00 N ATOM 1240 CA ILE A 400 7.141 -0.291 -1.931 1.00 0.00 C ATOM 1241 C ILE A 400 6.015 -0.774 -2.846 1.00 0.00 C ATOM 1242 O ILE A 400 4.890 -0.283 -2.774 1.00 0.00 O ATOM 1243 CB ILE A 400 8.217 0.446 -2.765 1.00 0.00 C ATOM 1244 CG1 ILE A 400 9.099 1.297 -1.851 1.00 0.00 C ATOM 1245 CG2 ILE A 400 7.587 1.307 -3.852 1.00 0.00 C ATOM 1246 CD1 ILE A 400 10.256 1.963 -2.564 1.00 0.00 C ATOM 0 H ILE A 400 8.734 -1.496 -1.303 1.00 0.00 H new ATOM 0 HA ILE A 400 6.727 0.406 -1.203 1.00 0.00 H new ATOM 0 HB ILE A 400 8.835 -0.305 -3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 400 8.484 2.064 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 400 9.491 0.668 -1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 400 8.371 1.810 -4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 400 7.003 0.677 -4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 400 6.936 2.052 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 400 10.835 2.549 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 400 10.895 1.201 -3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 400 9.873 2.619 -3.345 1.00 0.00 H new ATOM 1258 N GLU A 401 6.322 -1.758 -3.681 1.00 0.00 N ATOM 1259 CA GLU A 401 5.341 -2.310 -4.610 1.00 0.00 C ATOM 1260 C GLU A 401 4.207 -3.005 -3.860 1.00 0.00 C ATOM 1261 O GLU A 401 3.046 -2.953 -4.275 1.00 0.00 O ATOM 1262 CB GLU A 401 6.017 -3.290 -5.567 1.00 0.00 C ATOM 1263 CG GLU A 401 6.970 -2.626 -6.547 1.00 0.00 C ATOM 1264 CD GLU A 401 6.256 -1.699 -7.508 1.00 0.00 C ATOM 1265 OE1 GLU A 401 5.605 -2.199 -8.448 1.00 0.00 O ATOM 1266 OE2 GLU A 401 6.343 -0.465 -7.333 1.00 0.00 O ATOM 0 H GLU A 401 7.244 -2.192 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 401 4.915 -1.487 -5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 401 6.565 -4.032 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 401 5.250 -3.826 -6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 401 7.722 -2.063 -5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 401 7.499 -3.394 -7.112 1.00 0.00 H new ATOM 1273 N ARG A 402 4.552 -3.648 -2.752 1.00 0.00 N ATOM 1274 CA ARG A 402 3.574 -4.348 -1.930 1.00 0.00 C ATOM 1275 C ARG A 402 2.555 -3.366 -1.358 1.00 0.00 C ATOM 1276 O ARG A 402 1.351 -3.609 -1.398 1.00 0.00 O ATOM 1277 CB ARG A 402 4.285 -5.094 -0.799 1.00 0.00 C ATOM 1278 CG ARG A 402 3.383 -6.036 -0.018 1.00 0.00 C ATOM 1279 CD ARG A 402 4.153 -6.749 1.083 1.00 0.00 C ATOM 1280 NE ARG A 402 5.305 -7.483 0.560 1.00 0.00 N ATOM 1281 CZ ARG A 402 6.260 -8.019 1.321 1.00 0.00 C ATOM 1282 NH1 ARG A 402 6.170 -7.963 2.646 1.00 0.00 N ATOM 1283 NH2 ARG A 402 7.298 -8.625 0.755 1.00 0.00 N ATOM 0 H ARG A 402 5.508 -3.699 -2.400 1.00 0.00 H new ATOM 0 HA ARG A 402 3.044 -5.069 -2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 402 5.113 -5.665 -1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 402 4.715 -4.366 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 402 2.557 -5.474 0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 402 2.947 -6.771 -0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 402 4.492 -6.020 1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 402 3.488 -7.440 1.601 1.00 0.00 H new ATOM 0 HE ARG A 402 5.383 -7.592 -0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 402 5.368 -7.509 3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 402 6.902 -8.374 3.225 1.00 0.00 H new ATOM 0 HH21 ARG A 402 7.364 -8.680 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 402 8.029 -9.035 1.337 1.00 0.00 H new ATOM 1297 N LEU A 403 3.044 -2.249 -0.843 1.00 0.00 N ATOM 1298 CA LEU A 403 2.182 -1.233 -0.256 1.00 0.00 C ATOM 1299 C LEU A 403 1.393 -0.495 -1.333 1.00 0.00 C ATOM 1300 O LEU A 403 0.251 -0.092 -1.111 1.00 0.00 O ATOM 1301 CB LEU A 403 3.015 -0.247 0.559 1.00 0.00 C ATOM 1302 CG LEU A 403 3.793 -0.868 1.720 1.00 0.00 C ATOM 1303 CD1 LEU A 403 4.718 0.154 2.348 1.00 0.00 C ATOM 1304 CD2 LEU A 403 2.842 -1.429 2.765 1.00 0.00 C ATOM 0 H LEU A 403 4.038 -2.022 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 403 1.470 -1.729 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 403 3.720 0.249 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 403 2.354 0.524 0.955 1.00 0.00 H new ATOM 0 HG LEU A 403 4.395 -1.687 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 403 5.263 -0.306 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 403 5.426 0.512 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 403 4.132 0.993 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 403 3.416 -1.866 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 403 2.213 -0.628 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 403 2.215 -2.196 2.311 1.00 0.00 H new ATOM 1316 N ARG A 404 2.002 -0.333 -2.501 1.00 0.00 N ATOM 1317 CA ARG A 404 1.349 0.342 -3.619 1.00 0.00 C ATOM 1318 C ARG A 404 0.110 -0.420 -4.081 1.00 0.00 C ATOM 1319 O ARG A 404 -0.939 0.178 -4.328 1.00 0.00 O ATOM 1320 CB ARG A 404 2.323 0.527 -4.784 1.00 0.00 C ATOM 1321 CG ARG A 404 3.270 1.704 -4.603 1.00 0.00 C ATOM 1322 CD ARG A 404 4.275 1.794 -5.739 1.00 0.00 C ATOM 1323 NE ARG A 404 5.053 3.034 -5.685 1.00 0.00 N ATOM 1324 CZ ARG A 404 6.186 3.235 -6.358 1.00 0.00 C ATOM 1325 NH1 ARG A 404 6.724 2.253 -7.071 1.00 0.00 N ATOM 1326 NH2 ARG A 404 6.797 4.415 -6.291 1.00 0.00 N ATOM 0 H ARG A 404 2.948 -0.659 -2.700 1.00 0.00 H new ATOM 0 HA ARG A 404 1.031 1.324 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 404 2.908 -0.384 -4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 404 1.755 0.666 -5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 404 2.696 2.629 -4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.799 1.603 -3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 404 4.950 0.940 -5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 404 3.751 1.736 -6.693 1.00 0.00 H new ATOM 0 HE ARG A 404 4.706 3.791 -5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 404 6.270 1.340 -7.106 1.00 0.00 H new ATOM 0 HH12 ARG A 404 7.591 2.411 -7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 404 6.398 5.164 -5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 404 7.664 4.570 -6.805 1.00 0.00 H new ATOM 1340 N MET A 405 0.220 -1.741 -4.180 1.00 0.00 N ATOM 1341 CA MET A 405 -0.911 -2.554 -4.617 1.00 0.00 C ATOM 1342 C MET A 405 -1.999 -2.566 -3.550 1.00 0.00 C ATOM 1343 O MET A 405 -3.185 -2.698 -3.862 1.00 0.00 O ATOM 1344 CB MET A 405 -0.479 -3.987 -4.956 1.00 0.00 C ATOM 1345 CG MET A 405 -0.096 -4.828 -3.749 1.00 0.00 C ATOM 1346 SD MET A 405 0.387 -6.507 -4.196 1.00 0.00 S ATOM 1347 CE MET A 405 0.689 -7.204 -2.575 1.00 0.00 C ATOM 0 H MET A 405 1.068 -2.266 -3.967 1.00 0.00 H new ATOM 0 HA MET A 405 -1.311 -2.105 -5.526 1.00 0.00 H new ATOM 0 HB2 MET A 405 -1.292 -4.483 -5.486 1.00 0.00 H new ATOM 0 HB3 MET A 405 0.369 -3.946 -5.639 1.00 0.00 H new ATOM 0 HG2 MET A 405 0.727 -4.346 -3.222 1.00 0.00 H new ATOM 0 HG3 MET A 405 -0.938 -4.868 -3.057 1.00 0.00 H new ATOM 0 HE1 MET A 405 1.493 -7.937 -2.638 1.00 0.00 H new ATOM 0 HE2 MET A 405 0.975 -6.410 -1.885 1.00 0.00 H new ATOM 0 HE3 MET A 405 -0.217 -7.690 -2.213 1.00 0.00 H new ATOM 1357 N GLU A 406 -1.593 -2.406 -2.291 1.00 0.00 N ATOM 1358 CA GLU A 406 -2.535 -2.358 -1.184 1.00 0.00 C ATOM 1359 C GLU A 406 -3.331 -1.055 -1.216 1.00 0.00 C ATOM 1360 O GLU A 406 -4.504 -1.024 -0.845 1.00 0.00 O ATOM 1361 CB GLU A 406 -1.814 -2.519 0.155 1.00 0.00 C ATOM 1362 CG GLU A 406 -1.248 -3.913 0.385 1.00 0.00 C ATOM 1363 CD GLU A 406 -2.318 -4.990 0.394 1.00 0.00 C ATOM 1364 OE1 GLU A 406 -3.152 -5.003 1.325 1.00 0.00 O ATOM 1365 OE2 GLU A 406 -2.323 -5.840 -0.520 1.00 0.00 O ATOM 0 H GLU A 406 -0.616 -2.308 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 406 -3.231 -3.190 -1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 406 -1.002 -1.794 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 406 -2.508 -2.281 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 406 -0.520 -4.137 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 406 -0.714 -3.931 1.335 1.00 0.00 H new ATOM 1372 N ILE A 407 -2.698 0.022 -1.656 1.00 0.00 N ATOM 1373 CA ILE A 407 -3.416 1.266 -1.901 1.00 0.00 C ATOM 1374 C ILE A 407 -4.430 1.058 -3.010 1.00 0.00 C ATOM 1375 O ILE A 407 -5.620 1.332 -2.852 1.00 0.00 O ATOM 1376 CB ILE A 407 -2.474 2.409 -2.331 1.00 0.00 C ATOM 1377 CG1 ILE A 407 -1.539 2.797 -1.183 1.00 0.00 C ATOM 1378 CG2 ILE A 407 -3.290 3.611 -2.808 1.00 0.00 C ATOM 1379 CD1 ILE A 407 -0.478 3.803 -1.577 1.00 0.00 C ATOM 0 H ILE A 407 -1.697 0.062 -1.850 1.00 0.00 H new ATOM 0 HA ILE A 407 -3.900 1.544 -0.965 1.00 0.00 H new ATOM 0 HB ILE A 407 -1.857 2.064 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 407 -2.132 3.208 -0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 407 -1.052 1.899 -0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 407 -2.615 4.412 -3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 407 -3.907 3.318 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 407 -3.930 3.961 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 407 0.147 4.030 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 407 0.140 3.387 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 407 -0.956 4.717 -1.929 1.00 0.00 H new ATOM 1391 N HIS A 408 -3.929 0.540 -4.123 1.00 0.00 N ATOM 1392 CA HIS A 408 -4.707 0.390 -5.341 1.00 0.00 C ATOM 1393 C HIS A 408 -5.977 -0.425 -5.104 1.00 0.00 C ATOM 1394 O HIS A 408 -7.025 -0.111 -5.651 1.00 0.00 O ATOM 1395 CB HIS A 408 -3.839 -0.270 -6.416 1.00 0.00 C ATOM 1396 CG HIS A 408 -4.425 -0.229 -7.795 1.00 0.00 C ATOM 1397 ND1 HIS A 408 -3.967 0.615 -8.782 1.00 0.00 N ATOM 1398 CD2 HIS A 408 -5.416 -0.957 -8.358 1.00 0.00 C ATOM 1399 CE1 HIS A 408 -4.649 0.404 -9.890 1.00 0.00 C ATOM 1400 NE2 HIS A 408 -5.535 -0.547 -9.659 1.00 0.00 N ATOM 0 H HIS A 408 -2.967 0.211 -4.205 1.00 0.00 H new ATOM 0 HA HIS A 408 -5.018 1.380 -5.676 1.00 0.00 H new ATOM 0 HB2 HIS A 408 -2.866 0.222 -6.433 1.00 0.00 H new ATOM 0 HB3 HIS A 408 -3.666 -1.310 -6.138 1.00 0.00 H new ATOM 0 HD2 HIS A 408 -6.005 -1.721 -7.871 1.00 0.00 H new ATOM 0 HE1 HIS A 408 -4.507 0.921 -10.827 1.00 0.00 H new ATOM 0 HE2 HIS A 408 -6.200 -0.916 -10.339 1.00 0.00 H new ATOM 1409 N LYS A 409 -5.881 -1.461 -4.277 1.00 0.00 N ATOM 1410 CA LYS A 409 -7.019 -2.341 -4.021 1.00 0.00 C ATOM 1411 C LYS A 409 -8.113 -1.618 -3.232 1.00 0.00 C ATOM 1412 O LYS A 409 -9.281 -1.653 -3.610 1.00 0.00 O ATOM 1413 CB LYS A 409 -6.559 -3.602 -3.281 1.00 0.00 C ATOM 1414 CG LYS A 409 -5.970 -3.324 -1.912 1.00 0.00 C ATOM 1415 CD LYS A 409 -5.233 -4.519 -1.343 1.00 0.00 C ATOM 1416 CE LYS A 409 -6.169 -5.655 -0.992 1.00 0.00 C ATOM 1417 NZ LYS A 409 -5.460 -6.723 -0.246 1.00 0.00 N ATOM 0 H LYS A 409 -5.030 -1.712 -3.773 1.00 0.00 H new ATOM 0 HA LYS A 409 -7.444 -2.635 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 409 -7.407 -4.278 -3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 409 -5.816 -4.118 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 409 -5.286 -2.478 -1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 409 -6.768 -3.035 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 409 -4.497 -4.868 -2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 409 -4.684 -4.214 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 409 -6.996 -5.276 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 409 -6.600 -6.069 -1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 409 -6.125 -7.198 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 409 -5.073 -7.417 -0.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 409 -4.684 -6.305 0.306 1.00 0.00 H new ATOM 1431 N ASN A 410 -7.726 -0.944 -2.156 1.00 0.00 N ATOM 1432 CA ASN A 410 -8.688 -0.256 -1.299 1.00 0.00 C ATOM 1433 C ASN A 410 -9.293 0.941 -2.014 1.00 0.00 C ATOM 1434 O ASN A 410 -10.491 1.205 -1.905 1.00 0.00 O ATOM 1435 CB ASN A 410 -8.037 0.208 0.009 1.00 0.00 C ATOM 1436 CG ASN A 410 -7.757 -0.925 0.978 1.00 0.00 C ATOM 1437 OD1 ASN A 410 -8.617 -1.308 1.769 1.00 0.00 O ATOM 1438 ND2 ASN A 410 -6.541 -1.448 0.948 1.00 0.00 N ATOM 0 H ASN A 410 -6.755 -0.858 -1.855 1.00 0.00 H new ATOM 0 HA ASN A 410 -9.478 -0.970 -1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 410 -7.102 0.719 -0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 410 -8.688 0.936 0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 410 -6.291 -2.195 1.596 1.00 0.00 H new ATOM 0 HD22 ASN A 410 -5.854 -1.104 0.277 1.00 0.00 H new ATOM 1445 N GLU A 411 -8.463 1.659 -2.758 1.00 0.00 N ATOM 1446 CA GLU A 411 -8.907 2.861 -3.446 1.00 0.00 C ATOM 1447 C GLU A 411 -9.808 2.500 -4.619 1.00 0.00 C ATOM 1448 O GLU A 411 -10.702 3.258 -4.995 1.00 0.00 O ATOM 1449 CB GLU A 411 -7.701 3.680 -3.908 1.00 0.00 C ATOM 1450 CG GLU A 411 -7.155 3.314 -5.274 1.00 0.00 C ATOM 1451 CD GLU A 411 -6.312 4.422 -5.861 1.00 0.00 C ATOM 1452 OE1 GLU A 411 -6.826 5.557 -5.989 1.00 0.00 O ATOM 1453 OE2 GLU A 411 -5.133 4.175 -6.188 1.00 0.00 O ATOM 0 H GLU A 411 -7.479 1.429 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 411 -9.487 3.471 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -7.980 4.734 -3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -6.903 3.567 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -6.557 2.406 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.983 3.092 -5.948 1.00 0.00 H new ATOM 1460 N ALA A 412 -9.567 1.331 -5.183 1.00 0.00 N ATOM 1461 CA ALA A 412 -10.401 0.811 -6.258 1.00 0.00 C ATOM 1462 C ALA A 412 -11.787 0.457 -5.737 1.00 0.00 C ATOM 1463 O ALA A 412 -12.783 0.574 -6.454 1.00 0.00 O ATOM 1464 CB ALA A 412 -9.743 -0.400 -6.895 1.00 0.00 C ATOM 0 H ALA A 412 -8.797 0.718 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 412 -10.511 1.585 -7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 412 -10.377 -0.779 -7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 412 -8.773 -0.115 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 412 -9.606 -1.177 -6.143 1.00 0.00 H new ATOM 1470 N TRP A 413 -11.849 0.031 -4.481 1.00 0.00 N ATOM 1471 CA TRP A 413 -13.121 -0.272 -3.844 1.00 0.00 C ATOM 1472 C TRP A 413 -13.897 1.008 -3.560 1.00 0.00 C ATOM 1473 O TRP A 413 -15.112 0.976 -3.390 1.00 0.00 O ATOM 1474 CB TRP A 413 -12.922 -1.069 -2.554 1.00 0.00 C ATOM 1475 CG TRP A 413 -12.399 -2.453 -2.780 1.00 0.00 C ATOM 1476 CD1 TRP A 413 -12.594 -3.237 -3.882 1.00 0.00 C ATOM 1477 CD2 TRP A 413 -11.610 -3.226 -1.873 1.00 0.00 C ATOM 1478 NE1 TRP A 413 -11.962 -4.445 -3.718 1.00 0.00 N ATOM 1479 CE2 TRP A 413 -11.352 -4.462 -2.493 1.00 0.00 C ATOM 1480 CE3 TRP A 413 -11.090 -2.990 -0.598 1.00 0.00 C ATOM 1481 CZ2 TRP A 413 -10.599 -5.459 -1.881 1.00 0.00 C ATOM 1482 CZ3 TRP A 413 -10.344 -3.980 0.008 1.00 0.00 C ATOM 1483 CH2 TRP A 413 -10.104 -5.200 -0.635 1.00 0.00 C ATOM 0 H TRP A 413 -11.033 -0.112 -3.886 1.00 0.00 H new ATOM 0 HA TRP A 413 -13.699 -0.887 -4.534 1.00 0.00 H new ATOM 0 HB2 TRP A 413 -12.231 -0.530 -1.906 1.00 0.00 H new ATOM 0 HB3 TRP A 413 -13.873 -1.131 -2.024 1.00 0.00 H new ATOM 0 HD1 TRP A 413 -13.162 -2.949 -4.754 1.00 0.00 H new ATOM 0 HE1 TRP A 413 -11.949 -5.205 -4.398 1.00 0.00 H new ATOM 0 HE3 TRP A 413 -11.269 -2.050 -0.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 413 -10.413 -6.402 -2.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 413 -9.939 -3.811 0.995 1.00 0.00 H new ATOM 0 HH2 TRP A 413 -9.514 -5.953 -0.134 1.00 0.00 H new ATOM 1494 N LEU A 414 -13.194 2.135 -3.498 1.00 0.00 N ATOM 1495 CA LEU A 414 -13.852 3.430 -3.370 1.00 0.00 C ATOM 1496 C LEU A 414 -14.720 3.695 -4.589 1.00 0.00 C ATOM 1497 O LEU A 414 -15.811 4.250 -4.479 1.00 0.00 O ATOM 1498 CB LEU A 414 -12.829 4.554 -3.205 1.00 0.00 C ATOM 1499 CG LEU A 414 -12.011 4.507 -1.917 1.00 0.00 C ATOM 1500 CD1 LEU A 414 -11.015 5.653 -1.886 1.00 0.00 C ATOM 1501 CD2 LEU A 414 -12.929 4.567 -0.709 1.00 0.00 C ATOM 0 H LEU A 414 -12.176 2.178 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 414 -14.478 3.405 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -12.144 4.527 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -13.353 5.509 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 414 -11.459 3.568 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -10.438 5.608 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -10.341 5.573 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -11.550 6.601 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -12.333 4.533 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -13.502 5.494 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -13.612 3.718 -0.728 1.00 0.00 H new ATOM 1513 N SER A 415 -14.236 3.273 -5.751 1.00 0.00 N ATOM 1514 CA SER A 415 -14.998 3.393 -6.981 1.00 0.00 C ATOM 1515 C SER A 415 -16.217 2.476 -6.916 1.00 0.00 C ATOM 1516 O SER A 415 -17.280 2.793 -7.451 1.00 0.00 O ATOM 1517 CB SER A 415 -14.117 3.047 -8.184 1.00 0.00 C ATOM 1518 OG SER A 415 -14.777 3.322 -9.407 1.00 0.00 O ATOM 0 H SER A 415 -13.317 2.844 -5.864 1.00 0.00 H new ATOM 0 HA SER A 415 -15.340 4.421 -7.098 1.00 0.00 H new ATOM 0 HB2 SER A 415 -13.190 3.618 -8.133 1.00 0.00 H new ATOM 0 HB3 SER A 415 -13.845 1.992 -8.145 1.00 0.00 H new ATOM 0 HG SER A 415 -14.188 3.092 -10.156 1.00 0.00 H new ATOM 1524 N GLU A 416 -16.057 1.342 -6.238 1.00 0.00 N ATOM 1525 CA GLU A 416 -17.172 0.448 -5.961 1.00 0.00 C ATOM 1526 C GLU A 416 -18.173 1.133 -5.039 1.00 0.00 C ATOM 1527 O GLU A 416 -19.380 1.014 -5.224 1.00 0.00 O ATOM 1528 CB GLU A 416 -16.677 -0.851 -5.322 1.00 0.00 C ATOM 1529 CG GLU A 416 -16.012 -1.799 -6.303 1.00 0.00 C ATOM 1530 CD GLU A 416 -17.011 -2.468 -7.224 1.00 0.00 C ATOM 1531 OE1 GLU A 416 -17.331 -1.892 -8.285 1.00 0.00 O ATOM 1532 OE2 GLU A 416 -17.486 -3.571 -6.884 1.00 0.00 O ATOM 0 H GLU A 416 -15.161 1.022 -5.870 1.00 0.00 H new ATOM 0 HA GLU A 416 -17.662 0.205 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -15.970 -0.609 -4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -17.520 -1.359 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -15.284 -1.249 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -15.462 -2.562 -5.752 1.00 0.00 H new ATOM 1539 N VAL A 417 -17.655 1.862 -4.053 1.00 0.00 N ATOM 1540 CA VAL A 417 -18.488 2.630 -3.135 1.00 0.00 C ATOM 1541 C VAL A 417 -19.311 3.670 -3.892 1.00 0.00 C ATOM 1542 O VAL A 417 -20.477 3.909 -3.572 1.00 0.00 O ATOM 1543 CB VAL A 417 -17.640 3.314 -2.032 1.00 0.00 C ATOM 1544 CG1 VAL A 417 -18.473 4.313 -1.238 1.00 0.00 C ATOM 1545 CG2 VAL A 417 -17.044 2.269 -1.102 1.00 0.00 C ATOM 0 H VAL A 417 -16.654 1.936 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 417 -19.168 1.931 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 417 -16.831 3.859 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 417 -17.852 4.777 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 417 -18.856 5.082 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 417 -19.308 3.796 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 417 -16.451 2.763 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 417 -17.846 1.700 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 417 -16.407 1.594 -1.674 1.00 0.00 H new ATOM 1555 N GLU A 418 -18.709 4.254 -4.918 1.00 0.00 N ATOM 1556 CA GLU A 418 -19.401 5.222 -5.764 1.00 0.00 C ATOM 1557 C GLU A 418 -20.505 4.543 -6.573 1.00 0.00 C ATOM 1558 O GLU A 418 -21.427 5.196 -7.057 1.00 0.00 O ATOM 1559 CB GLU A 418 -18.418 5.909 -6.707 1.00 0.00 C ATOM 1560 CG GLU A 418 -17.312 6.664 -5.995 1.00 0.00 C ATOM 1561 CD GLU A 418 -16.406 7.391 -6.959 1.00 0.00 C ATOM 1562 OE1 GLU A 418 -15.491 6.752 -7.521 1.00 0.00 O ATOM 1563 OE2 GLU A 418 -16.612 8.603 -7.172 1.00 0.00 O ATOM 0 H GLU A 418 -17.741 4.076 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 418 -19.853 5.972 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 418 -17.971 5.159 -7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 418 -18.966 6.602 -7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 418 -17.752 7.381 -5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 418 -16.722 5.966 -5.401 1.00 0.00 H new