USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 535 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 490 THR OG1 : rot -25:sc= 0.689 USER MOD Set 1.2: A 497 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 442 HIS : no HD1:sc= -13.9! C(o=-14!,f=-15!) USER MOD Set 2.2: A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 439 HIS :FLIP no HD1:sc= -0.424 F(o=-1.5,f=-0.42) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot -44:sc= -0.088! USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 9:sc= 0.123 USER MOD Single : A 456 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN :FLIP amide:sc= 0.0772 F(o=-0.94,f=0.077) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= -2.05! C(o=-2!,f=-2.1!) USER MOD Single : A 483 GLN : amide:sc= -0.755 K(o=-0.76,f=-5.2!) USER MOD Single : A 485 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.34) USER MOD Single : A 489 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 491 SER OG : rot -40:sc= 1.06 USER MOD Single : A 492 LYS NZ :NH3+ 160:sc= -0.0635 (180deg=-0.358) USER MOD Single : A 493 TYR OH : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 500 GLN : amide:sc= -0.248 K(o=-0.25,f=-3.4!) USER MOD Single : A 501 THR OG1 : rot 180:sc= -0.87 USER MOD Single : A 502 TYR OH : rot 180:sc= 0 USER MOD Single : A 505 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 207 N HIS A 439 -6.068 9.163 6.880 1.00 0.00 N ATOM 208 CA HIS A 439 -5.227 8.476 5.906 1.00 0.00 C ATOM 209 C HIS A 439 -4.708 7.157 6.472 1.00 0.00 C ATOM 210 O HIS A 439 -4.554 6.176 5.744 1.00 0.00 O ATOM 211 CB HIS A 439 -4.053 9.366 5.497 1.00 0.00 C ATOM 212 CG HIS A 439 -3.557 10.248 6.601 1.00 0.00 C ATOM 213 ND1 HIS A 439 -2.697 9.997 7.616 1.00 0.00 N flip ATOM 214 CD2 HIS A 439 -3.948 11.562 6.748 1.00 0.00 C flip ATOM 215 CE1 HIS A 439 -2.584 11.152 8.349 1.00 0.00 C flip ATOM 216 NE2 HIS A 439 -3.349 12.081 7.804 1.00 0.00 N flip ATOM 0 HA HIS A 439 -5.833 8.261 5.026 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -3.234 8.736 5.150 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.355 9.988 4.654 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -4.636 12.085 6.101 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -1.970 11.280 9.228 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -3.458 13.037 8.142 1.00 0.00 H new ATOM 225 N VAL A 440 -4.439 7.142 7.773 1.00 0.00 N ATOM 226 CA VAL A 440 -3.938 5.944 8.436 1.00 0.00 C ATOM 227 C VAL A 440 -5.009 4.861 8.498 1.00 0.00 C ATOM 228 O VAL A 440 -6.200 5.155 8.605 1.00 0.00 O ATOM 229 CB VAL A 440 -3.453 6.254 9.865 1.00 0.00 C ATOM 230 CG1 VAL A 440 -2.957 4.988 10.548 1.00 0.00 C ATOM 231 CG2 VAL A 440 -2.365 7.317 9.839 1.00 0.00 C ATOM 0 H VAL A 440 -4.560 7.946 8.389 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.096 5.584 7.845 1.00 0.00 H new ATOM 0 HB VAL A 440 -4.294 6.642 10.439 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.619 5.227 11.556 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -3.768 4.261 10.600 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -2.129 4.567 9.978 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -2.034 7.524 10.857 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -1.521 6.960 9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -2.759 8.230 9.393 1.00 0.00 H new ATOM 241 N LEU A 441 -4.578 3.606 8.432 1.00 0.00 N ATOM 242 CA LEU A 441 -5.500 2.477 8.482 1.00 0.00 C ATOM 243 C LEU A 441 -5.043 1.445 9.508 1.00 0.00 C ATOM 244 O LEU A 441 -3.845 1.231 9.698 1.00 0.00 O ATOM 245 CB LEU A 441 -5.614 1.825 7.102 1.00 0.00 C ATOM 246 CG LEU A 441 -5.740 2.782 5.916 1.00 0.00 C ATOM 247 CD1 LEU A 441 -5.485 2.048 4.609 1.00 0.00 C ATOM 248 CD2 LEU A 441 -7.113 3.437 5.903 1.00 0.00 C ATOM 0 H LEU A 441 -3.596 3.345 8.344 1.00 0.00 H new ATOM 0 HA LEU A 441 -6.478 2.852 8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -4.737 1.197 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -6.482 1.165 7.105 1.00 0.00 H new ATOM 0 HG LEU A 441 -4.988 3.564 6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -5.579 2.745 3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -4.480 1.627 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -6.213 1.245 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -7.185 4.115 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 441 -7.882 2.669 5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 441 -7.257 3.998 6.827 1.00 0.00 H new ATOM 260 N HIS A 442 -6.005 0.805 10.166 1.00 0.00 N ATOM 261 CA HIS A 442 -5.702 -0.207 11.171 1.00 0.00 C ATOM 262 C HIS A 442 -6.018 -1.605 10.647 1.00 0.00 C ATOM 263 O HIS A 442 -7.182 -1.961 10.463 1.00 0.00 O ATOM 264 CB HIS A 442 -6.493 0.062 12.451 1.00 0.00 C ATOM 265 CG HIS A 442 -5.953 -0.655 13.650 1.00 0.00 C ATOM 266 ND1 HIS A 442 -6.244 -1.974 13.932 1.00 0.00 N ATOM 267 CD2 HIS A 442 -5.136 -0.231 14.642 1.00 0.00 C ATOM 268 CE1 HIS A 442 -5.629 -2.328 15.047 1.00 0.00 C ATOM 269 NE2 HIS A 442 -4.950 -1.289 15.497 1.00 0.00 N ATOM 0 H HIS A 442 -7.001 0.970 10.021 1.00 0.00 H new ATOM 0 HA HIS A 442 -4.636 -0.154 11.394 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -6.495 1.134 12.649 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -7.530 -0.235 12.297 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -4.710 0.756 14.742 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -5.674 -3.302 15.511 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -4.380 -1.275 16.343 1.00 0.00 H new ATOM 278 N VAL A 443 -4.974 -2.392 10.407 1.00 0.00 N ATOM 279 CA VAL A 443 -5.141 -3.751 9.905 1.00 0.00 C ATOM 280 C VAL A 443 -4.720 -4.778 10.950 1.00 0.00 C ATOM 281 O VAL A 443 -3.585 -4.766 11.428 1.00 0.00 O ATOM 282 CB VAL A 443 -4.324 -3.978 8.619 1.00 0.00 C ATOM 283 CG1 VAL A 443 -4.587 -5.367 8.058 1.00 0.00 C ATOM 284 CG2 VAL A 443 -4.645 -2.907 7.588 1.00 0.00 C ATOM 0 H VAL A 443 -4.004 -2.112 10.552 1.00 0.00 H new ATOM 0 HA VAL A 443 -6.200 -3.878 9.681 1.00 0.00 H new ATOM 0 HB VAL A 443 -3.264 -3.907 8.865 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -4.001 -5.509 7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -4.301 -6.117 8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.647 -5.471 7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -4.059 -3.083 6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.707 -2.944 7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.400 -1.926 7.994 1.00 0.00 H new ATOM 294 N THR A 444 -5.642 -5.670 11.300 1.00 0.00 N ATOM 295 CA THR A 444 -5.368 -6.705 12.289 1.00 0.00 C ATOM 296 C THR A 444 -5.117 -8.051 11.620 1.00 0.00 C ATOM 297 O THR A 444 -6.050 -8.715 11.168 1.00 0.00 O ATOM 298 CB THR A 444 -6.531 -6.850 13.288 1.00 0.00 C ATOM 299 OG1 THR A 444 -7.783 -6.709 12.606 1.00 0.00 O ATOM 300 CG2 THR A 444 -6.429 -5.809 14.392 1.00 0.00 C ATOM 0 H THR A 444 -6.585 -5.696 10.913 1.00 0.00 H new ATOM 0 HA THR A 444 -4.472 -6.397 12.828 1.00 0.00 H new ATOM 0 HB THR A 444 -6.473 -7.841 13.739 1.00 0.00 H new ATOM 0 HG1 THR A 444 -8.518 -6.804 13.248 1.00 0.00 H new ATOM 0 HG21 THR A 444 -7.261 -5.931 15.085 1.00 0.00 H new ATOM 0 HG22 THR A 444 -5.488 -5.938 14.928 1.00 0.00 H new ATOM 0 HG23 THR A 444 -6.464 -4.811 13.955 1.00 0.00 H new ATOM 308 N PHE A 445 -3.850 -8.450 11.560 1.00 0.00 N ATOM 309 CA PHE A 445 -3.476 -9.718 10.945 1.00 0.00 C ATOM 310 C PHE A 445 -2.773 -10.624 11.952 1.00 0.00 C ATOM 311 O PHE A 445 -2.182 -10.166 12.930 1.00 0.00 O ATOM 312 CB PHE A 445 -2.567 -9.476 9.738 1.00 0.00 C ATOM 313 CG PHE A 445 -1.417 -8.555 10.029 1.00 0.00 C ATOM 314 CD1 PHE A 445 -0.432 -8.920 10.933 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.321 -7.325 9.400 1.00 0.00 C ATOM 316 CE1 PHE A 445 0.627 -8.074 11.203 1.00 0.00 C ATOM 317 CE2 PHE A 445 -0.264 -6.475 9.665 1.00 0.00 C ATOM 318 CZ PHE A 445 0.712 -6.850 10.567 1.00 0.00 C ATOM 0 H PHE A 445 -3.066 -7.913 11.930 1.00 0.00 H new ATOM 0 HA PHE A 445 -4.387 -10.214 10.611 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -2.177 -10.432 9.389 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -3.160 -9.058 8.925 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -0.493 -9.876 11.432 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -2.081 -7.026 8.694 1.00 0.00 H new ATOM 0 HE1 PHE A 445 1.388 -8.369 11.911 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -0.201 -5.519 9.167 1.00 0.00 H new ATOM 0 HZ PHE A 445 1.540 -6.188 10.775 1.00 0.00 H new ATOM 328 N PRO A 446 -2.840 -11.942 11.709 1.00 0.00 N ATOM 329 CA PRO A 446 -2.216 -12.940 12.582 1.00 0.00 C ATOM 330 C PRO A 446 -0.693 -12.904 12.509 1.00 0.00 C ATOM 331 O PRO A 446 -0.117 -12.690 11.442 1.00 0.00 O ATOM 332 CB PRO A 446 -2.746 -14.269 12.037 1.00 0.00 C ATOM 333 CG PRO A 446 -3.072 -13.990 10.610 1.00 0.00 C ATOM 334 CD PRO A 446 -3.528 -12.558 10.562 1.00 0.00 C ATOM 0 HA PRO A 446 -2.454 -12.768 13.632 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -2.000 -15.059 12.126 1.00 0.00 H new ATOM 0 HB3 PRO A 446 -3.627 -14.599 12.587 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -2.201 -14.144 9.973 1.00 0.00 H new ATOM 0 HG3 PRO A 446 -3.852 -14.660 10.250 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -3.251 -12.079 9.623 1.00 0.00 H new ATOM 0 HD3 PRO A 446 -4.611 -12.478 10.653 1.00 0.00 H new ATOM 342 N LYS A 447 -0.045 -13.115 13.650 1.00 0.00 N ATOM 343 CA LYS A 447 1.411 -13.108 13.715 1.00 0.00 C ATOM 344 C LYS A 447 2.013 -13.858 12.531 1.00 0.00 C ATOM 345 O LYS A 447 2.966 -13.390 11.909 1.00 0.00 O ATOM 346 CB LYS A 447 1.886 -13.740 15.026 1.00 0.00 C ATOM 347 CG LYS A 447 1.823 -15.257 15.028 1.00 0.00 C ATOM 348 CD LYS A 447 2.136 -15.827 16.402 1.00 0.00 C ATOM 349 CE LYS A 447 3.632 -15.832 16.675 1.00 0.00 C ATOM 350 NZ LYS A 447 3.932 -16.090 18.111 1.00 0.00 N ATOM 0 H LYS A 447 -0.506 -13.293 14.542 1.00 0.00 H new ATOM 0 HA LYS A 447 1.746 -12.072 13.674 1.00 0.00 H new ATOM 0 HB2 LYS A 447 2.912 -13.427 15.219 1.00 0.00 H new ATOM 0 HB3 LYS A 447 1.277 -13.358 15.845 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.830 -15.581 14.716 1.00 0.00 H new ATOM 0 HG3 LYS A 447 2.531 -15.652 14.299 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.628 -15.239 17.166 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.749 -16.843 16.472 1.00 0.00 H new ATOM 0 HE2 LYS A 447 4.111 -16.595 16.061 1.00 0.00 H new ATOM 0 HE3 LYS A 447 4.058 -14.873 16.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 4.962 -16.086 18.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 3.496 -15.348 18.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 3.548 -17.017 18.385 1.00 0.00 H new ATOM 364 N GLU A 448 1.448 -15.022 12.224 1.00 0.00 N ATOM 365 CA GLU A 448 1.930 -15.834 11.113 1.00 0.00 C ATOM 366 C GLU A 448 2.351 -14.955 9.939 1.00 0.00 C ATOM 367 O GLU A 448 3.329 -15.247 9.251 1.00 0.00 O ATOM 368 CB GLU A 448 0.848 -16.818 10.665 1.00 0.00 C ATOM 369 CG GLU A 448 -0.169 -16.213 9.713 1.00 0.00 C ATOM 370 CD GLU A 448 -1.241 -17.202 9.298 1.00 0.00 C ATOM 371 OE1 GLU A 448 -1.693 -17.983 10.162 1.00 0.00 O ATOM 372 OE2 GLU A 448 -1.628 -17.195 8.111 1.00 0.00 O ATOM 0 H GLU A 448 0.657 -15.423 12.728 1.00 0.00 H new ATOM 0 HA GLU A 448 2.800 -16.393 11.456 1.00 0.00 H new ATOM 0 HB2 GLU A 448 1.323 -17.672 10.181 1.00 0.00 H new ATOM 0 HB3 GLU A 448 0.328 -17.199 11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -0.639 -15.352 10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 448 0.344 -15.846 8.825 1.00 0.00 H new ATOM 379 N TRP A 449 1.606 -13.879 9.716 1.00 0.00 N ATOM 380 CA TRP A 449 1.900 -12.958 8.625 1.00 0.00 C ATOM 381 C TRP A 449 3.340 -12.461 8.706 1.00 0.00 C ATOM 382 O TRP A 449 4.108 -12.890 9.567 1.00 0.00 O ATOM 383 CB TRP A 449 0.936 -11.771 8.658 1.00 0.00 C ATOM 384 CG TRP A 449 -0.403 -12.077 8.059 1.00 0.00 C ATOM 385 CD1 TRP A 449 -1.076 -13.265 8.119 1.00 0.00 C ATOM 386 CD2 TRP A 449 -1.232 -11.183 7.309 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.272 -13.162 7.452 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.392 -11.895 6.946 1.00 0.00 C ATOM 389 CE3 TRP A 449 -1.108 -9.849 6.910 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -3.418 -11.316 6.203 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -2.127 -9.277 6.173 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.270 -10.009 5.826 1.00 0.00 C ATOM 0 H TRP A 449 0.793 -13.623 10.277 1.00 0.00 H new ATOM 0 HA TRP A 449 1.772 -13.495 7.685 1.00 0.00 H new ATOM 0 HB2 TRP A 449 0.799 -11.452 9.691 1.00 0.00 H new ATOM 0 HB3 TRP A 449 1.383 -10.934 8.122 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -0.720 -14.154 8.618 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -2.960 -13.908 7.350 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -0.231 -9.276 7.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -4.300 -11.879 5.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -2.041 -8.247 5.859 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -4.049 -9.533 5.250 1.00 0.00 H new ATOM 403 N LYS A 450 3.700 -11.554 7.804 1.00 0.00 N ATOM 404 CA LYS A 450 5.047 -10.997 7.773 1.00 0.00 C ATOM 405 C LYS A 450 5.082 -9.700 6.972 1.00 0.00 C ATOM 406 O LYS A 450 4.144 -9.386 6.238 1.00 0.00 O ATOM 407 CB LYS A 450 6.025 -12.008 7.170 1.00 0.00 C ATOM 408 CG LYS A 450 6.415 -13.122 8.126 1.00 0.00 C ATOM 409 CD LYS A 450 7.642 -13.873 7.636 1.00 0.00 C ATOM 410 CE LYS A 450 8.925 -13.141 7.998 1.00 0.00 C ATOM 411 NZ LYS A 450 10.130 -13.981 7.754 1.00 0.00 N ATOM 0 H LYS A 450 3.077 -11.189 7.084 1.00 0.00 H new ATOM 0 HA LYS A 450 5.346 -10.778 8.798 1.00 0.00 H new ATOM 0 HB2 LYS A 450 5.577 -12.446 6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 450 6.925 -11.483 6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 450 6.613 -12.703 9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 450 5.582 -13.816 8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 450 7.657 -14.872 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 450 7.586 -13.998 6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 450 8.997 -12.224 7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 450 8.893 -12.848 9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 10.984 -13.447 8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 10.074 -14.845 8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 10.175 -14.239 6.748 1.00 0.00 H new ATOM 425 N THR A 451 6.169 -8.949 7.117 1.00 0.00 N ATOM 426 CA THR A 451 6.326 -7.686 6.406 1.00 0.00 C ATOM 427 C THR A 451 6.017 -7.848 4.922 1.00 0.00 C ATOM 428 O THR A 451 5.139 -7.174 4.385 1.00 0.00 O ATOM 429 CB THR A 451 7.753 -7.126 6.564 1.00 0.00 C ATOM 430 OG1 THR A 451 8.042 -6.907 7.949 1.00 0.00 O ATOM 431 CG2 THR A 451 7.910 -5.823 5.795 1.00 0.00 C ATOM 0 H THR A 451 6.954 -9.194 7.721 1.00 0.00 H new ATOM 0 HA THR A 451 5.618 -6.985 6.847 1.00 0.00 H new ATOM 0 HB THR A 451 8.454 -7.856 6.158 1.00 0.00 H new ATOM 0 HG1 THR A 451 7.273 -6.480 8.380 1.00 0.00 H new ATOM 0 HG21 THR A 451 8.925 -5.446 5.921 1.00 0.00 H new ATOM 0 HG22 THR A 451 7.717 -6.000 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 451 7.200 -5.088 6.175 1.00 0.00 H new ATOM 439 N SER A 452 6.745 -8.746 4.266 1.00 0.00 N ATOM 440 CA SER A 452 6.550 -8.994 2.842 1.00 0.00 C ATOM 441 C SER A 452 5.065 -9.105 2.508 1.00 0.00 C ATOM 442 O SER A 452 4.605 -8.581 1.493 1.00 0.00 O ATOM 443 CB SER A 452 7.276 -10.273 2.422 1.00 0.00 C ATOM 444 OG SER A 452 8.627 -10.006 2.087 1.00 0.00 O ATOM 0 H SER A 452 7.475 -9.314 4.697 1.00 0.00 H new ATOM 0 HA SER A 452 6.966 -8.151 2.291 1.00 0.00 H new ATOM 0 HB2 SER A 452 7.236 -11.001 3.233 1.00 0.00 H new ATOM 0 HB3 SER A 452 6.768 -10.720 1.568 1.00 0.00 H new ATOM 0 HG SER A 452 9.070 -10.840 1.824 1.00 0.00 H new ATOM 450 N ASP A 453 4.322 -9.790 3.369 1.00 0.00 N ATOM 451 CA ASP A 453 2.889 -9.970 3.167 1.00 0.00 C ATOM 452 C ASP A 453 2.171 -8.625 3.139 1.00 0.00 C ATOM 453 O ASP A 453 1.381 -8.349 2.234 1.00 0.00 O ATOM 454 CB ASP A 453 2.303 -10.852 4.272 1.00 0.00 C ATOM 455 CG ASP A 453 2.952 -12.221 4.325 1.00 0.00 C ATOM 456 OD1 ASP A 453 4.199 -12.288 4.285 1.00 0.00 O ATOM 457 OD2 ASP A 453 2.214 -13.225 4.406 1.00 0.00 O ATOM 0 H ASP A 453 4.688 -10.230 4.214 1.00 0.00 H new ATOM 0 HA ASP A 453 2.742 -10.460 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 453 2.429 -10.356 5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 453 1.231 -10.967 4.111 1.00 0.00 H new ATOM 462 N LEU A 454 2.448 -7.791 4.135 1.00 0.00 N ATOM 463 CA LEU A 454 1.828 -6.473 4.226 1.00 0.00 C ATOM 464 C LEU A 454 2.100 -5.656 2.967 1.00 0.00 C ATOM 465 O LEU A 454 1.172 -5.176 2.315 1.00 0.00 O ATOM 466 CB LEU A 454 2.349 -5.726 5.455 1.00 0.00 C ATOM 467 CG LEU A 454 1.669 -6.061 6.782 1.00 0.00 C ATOM 468 CD1 LEU A 454 0.216 -5.614 6.765 1.00 0.00 C ATOM 469 CD2 LEU A 454 1.767 -7.552 7.070 1.00 0.00 C ATOM 0 H LEU A 454 3.098 -8.004 4.892 1.00 0.00 H new ATOM 0 HA LEU A 454 0.751 -6.611 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 454 3.415 -5.930 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 454 2.245 -4.656 5.276 1.00 0.00 H new ATOM 0 HG LEU A 454 2.184 -5.523 7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -0.252 -5.861 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 454 0.169 -4.537 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -0.312 -6.123 5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 454 1.278 -7.772 8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 454 1.278 -8.110 6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 454 2.816 -7.843 7.127 1.00 0.00 H new ATOM 481 N TYR A 455 3.375 -5.505 2.629 1.00 0.00 N ATOM 482 CA TYR A 455 3.769 -4.746 1.448 1.00 0.00 C ATOM 483 C TYR A 455 3.117 -5.316 0.192 1.00 0.00 C ATOM 484 O TYR A 455 2.617 -4.573 -0.652 1.00 0.00 O ATOM 485 CB TYR A 455 5.291 -4.754 1.295 1.00 0.00 C ATOM 486 CG TYR A 455 5.980 -3.629 2.033 1.00 0.00 C ATOM 487 CD1 TYR A 455 5.579 -2.310 1.860 1.00 0.00 C ATOM 488 CD2 TYR A 455 7.032 -3.884 2.904 1.00 0.00 C ATOM 489 CE1 TYR A 455 6.206 -1.278 2.532 1.00 0.00 C ATOM 490 CE2 TYR A 455 7.663 -2.859 3.582 1.00 0.00 C ATOM 491 CZ TYR A 455 7.247 -1.558 3.392 1.00 0.00 C ATOM 492 OH TYR A 455 7.875 -0.534 4.064 1.00 0.00 O ATOM 0 H TYR A 455 4.154 -5.898 3.156 1.00 0.00 H new ATOM 0 HA TYR A 455 3.429 -3.718 1.577 1.00 0.00 H new ATOM 0 HB2 TYR A 455 5.679 -5.706 1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 455 5.542 -4.690 0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 455 4.763 -2.087 1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.362 -4.901 3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 455 5.883 -0.258 2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.478 -3.075 4.257 1.00 0.00 H new ATOM 0 HH TYR A 455 7.376 0.299 3.932 1.00 0.00 H new ATOM 502 N GLN A 456 3.126 -6.640 0.077 1.00 0.00 N ATOM 503 CA GLN A 456 2.536 -7.311 -1.075 1.00 0.00 C ATOM 504 C GLN A 456 1.027 -7.092 -1.118 1.00 0.00 C ATOM 505 O GLN A 456 0.426 -7.049 -2.193 1.00 0.00 O ATOM 506 CB GLN A 456 2.845 -8.808 -1.034 1.00 0.00 C ATOM 507 CG GLN A 456 4.319 -9.130 -1.219 1.00 0.00 C ATOM 508 CD GLN A 456 4.737 -9.136 -2.676 1.00 0.00 C ATOM 509 OE1 GLN A 456 4.854 -8.083 -3.304 1.00 0.00 O ATOM 510 NE2 GLN A 456 4.965 -10.325 -3.222 1.00 0.00 N ATOM 0 H GLN A 456 3.535 -7.269 0.768 1.00 0.00 H new ATOM 0 HA GLN A 456 2.973 -6.882 -1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 456 2.510 -9.214 -0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 456 2.271 -9.310 -1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 456 4.918 -8.398 -0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 456 4.532 -10.105 -0.780 1.00 0.00 H new ATOM 0 HE21 GLN A 456 4.856 -11.172 -2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 456 5.249 -10.391 -4.199 1.00 0.00 H new ATOM 519 N LEU A 457 0.421 -6.954 0.055 1.00 0.00 N ATOM 520 CA LEU A 457 -1.019 -6.740 0.152 1.00 0.00 C ATOM 521 C LEU A 457 -1.384 -5.311 -0.235 1.00 0.00 C ATOM 522 O LEU A 457 -2.350 -5.081 -0.963 1.00 0.00 O ATOM 523 CB LEU A 457 -1.504 -7.036 1.572 1.00 0.00 C ATOM 524 CG LEU A 457 -3.019 -7.132 1.757 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.522 -8.504 1.337 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.399 -6.842 3.202 1.00 0.00 C ATOM 0 H LEU A 457 0.904 -6.986 0.953 1.00 0.00 H new ATOM 0 HA LEU A 457 -1.510 -7.422 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -1.058 -7.975 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -1.126 -6.257 2.234 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.492 -6.384 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -4.602 -8.554 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.283 -8.674 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.042 -9.270 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.481 -6.915 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.916 -7.566 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.073 -5.837 3.469 1.00 0.00 H new ATOM 538 N PHE A 458 -0.604 -4.353 0.254 1.00 0.00 N ATOM 539 CA PHE A 458 -0.844 -2.945 -0.042 1.00 0.00 C ATOM 540 C PHE A 458 -0.125 -2.528 -1.322 1.00 0.00 C ATOM 541 O PHE A 458 -0.388 -1.460 -1.874 1.00 0.00 O ATOM 542 CB PHE A 458 -0.380 -2.071 1.125 1.00 0.00 C ATOM 543 CG PHE A 458 -1.412 -1.916 2.205 1.00 0.00 C ATOM 544 CD1 PHE A 458 -2.373 -0.921 2.127 1.00 0.00 C ATOM 545 CD2 PHE A 458 -1.422 -2.766 3.300 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.324 -0.776 3.119 1.00 0.00 C ATOM 547 CE2 PHE A 458 -2.371 -2.627 4.295 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.322 -1.630 4.205 1.00 0.00 C ATOM 0 H PHE A 458 0.200 -4.526 0.857 1.00 0.00 H new ATOM 0 HA PHE A 458 -1.915 -2.807 -0.187 1.00 0.00 H new ATOM 0 HB2 PHE A 458 0.523 -2.504 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -0.112 -1.085 0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -2.379 -0.250 1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -0.679 -3.546 3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -4.068 0.004 3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -2.369 -3.297 5.142 1.00 0.00 H new ATOM 0 HZ PHE A 458 -4.063 -1.518 4.982 1.00 0.00 H new ATOM 558 N SER A 459 0.783 -3.379 -1.787 1.00 0.00 N ATOM 559 CA SER A 459 1.544 -3.098 -2.999 1.00 0.00 C ATOM 560 C SER A 459 0.660 -2.440 -4.054 1.00 0.00 C ATOM 561 O SER A 459 1.114 -1.585 -4.814 1.00 0.00 O ATOM 562 CB SER A 459 2.149 -4.387 -3.557 1.00 0.00 C ATOM 563 OG SER A 459 2.864 -4.138 -4.755 1.00 0.00 O ATOM 0 H SER A 459 1.010 -4.269 -1.343 1.00 0.00 H new ATOM 0 HA SER A 459 2.349 -2.409 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.816 -4.829 -2.817 1.00 0.00 H new ATOM 0 HB3 SER A 459 1.357 -5.112 -3.746 1.00 0.00 H new ATOM 0 HG SER A 459 3.242 -4.977 -5.091 1.00 0.00 H new ATOM 569 N ALA A 460 -0.605 -2.844 -4.094 1.00 0.00 N ATOM 570 CA ALA A 460 -1.554 -2.293 -5.053 1.00 0.00 C ATOM 571 C ALA A 460 -1.362 -0.789 -5.213 1.00 0.00 C ATOM 572 O ALA A 460 -1.371 -0.267 -6.328 1.00 0.00 O ATOM 573 CB ALA A 460 -2.980 -2.603 -4.623 1.00 0.00 C ATOM 0 H ALA A 460 -0.997 -3.552 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 460 -1.369 -2.761 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -3.678 -2.185 -5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.117 -3.683 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -3.168 -2.163 -3.644 1.00 0.00 H new ATOM 579 N PHE A 461 -1.189 -0.097 -4.092 1.00 0.00 N ATOM 580 CA PHE A 461 -0.997 1.349 -4.108 1.00 0.00 C ATOM 581 C PHE A 461 0.458 1.700 -4.404 1.00 0.00 C ATOM 582 O PHE A 461 0.745 2.532 -5.264 1.00 0.00 O ATOM 583 CB PHE A 461 -1.417 1.955 -2.767 1.00 0.00 C ATOM 584 CG PHE A 461 -2.783 1.524 -2.316 1.00 0.00 C ATOM 585 CD1 PHE A 461 -3.920 2.118 -2.840 1.00 0.00 C ATOM 586 CD2 PHE A 461 -2.930 0.524 -1.368 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.179 1.723 -2.428 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.186 0.125 -0.952 1.00 0.00 C ATOM 589 CZ PHE A 461 -5.312 0.726 -1.481 1.00 0.00 C ATOM 0 H PHE A 461 -1.178 -0.514 -3.161 1.00 0.00 H new ATOM 0 HA PHE A 461 -1.621 1.765 -4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -0.687 1.676 -2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -1.395 3.042 -2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -3.821 2.899 -3.579 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -2.054 0.051 -0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -6.057 2.193 -2.846 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.287 -0.656 -0.213 1.00 0.00 H new ATOM 0 HZ PHE A 461 -6.294 0.417 -1.155 1.00 0.00 H new ATOM 599 N GLY A 462 1.374 1.060 -3.684 1.00 0.00 N ATOM 600 CA GLY A 462 2.789 1.318 -3.883 1.00 0.00 C ATOM 601 C GLY A 462 3.547 1.432 -2.575 1.00 0.00 C ATOM 602 O GLY A 462 3.166 0.825 -1.575 1.00 0.00 O ATOM 0 H GLY A 462 1.162 0.367 -2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 462 3.221 0.516 -4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 462 2.911 2.240 -4.451 1.00 0.00 H new ATOM 606 N ASN A 463 4.625 2.209 -2.584 1.00 0.00 N ATOM 607 CA ASN A 463 5.440 2.398 -1.389 1.00 0.00 C ATOM 608 C ASN A 463 4.589 2.883 -0.220 1.00 0.00 C ATOM 609 O ASN A 463 3.874 3.880 -0.332 1.00 0.00 O ATOM 610 CB ASN A 463 6.564 3.398 -1.667 1.00 0.00 C ATOM 611 CG ASN A 463 7.450 2.968 -2.820 1.00 0.00 C ATOM 612 OD1 ASN A 463 7.024 3.278 -4.040 1.00 0.00 O flip ATOM 613 ND2 ASN A 463 8.503 2.365 -2.617 1.00 0.00 N flip ATOM 0 H ASN A 463 4.954 2.718 -3.404 1.00 0.00 H new ATOM 0 HA ASN A 463 5.877 1.436 -1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 463 6.132 4.374 -1.889 1.00 0.00 H new ATOM 0 HB3 ASN A 463 7.172 3.516 -0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 463 8.791 2.148 -1.663 1.00 0.00 H new ATOM 0 HD22 ASN A 463 9.088 2.082 -3.403 1.00 0.00 H new ATOM 620 N ILE A 464 4.671 2.173 0.900 1.00 0.00 N ATOM 621 CA ILE A 464 3.910 2.533 2.090 1.00 0.00 C ATOM 622 C ILE A 464 4.747 2.356 3.352 1.00 0.00 C ATOM 623 O ILE A 464 5.807 1.731 3.323 1.00 0.00 O ATOM 624 CB ILE A 464 2.628 1.688 2.214 1.00 0.00 C ATOM 625 CG1 ILE A 464 2.979 0.232 2.527 1.00 0.00 C ATOM 626 CG2 ILE A 464 1.808 1.778 0.936 1.00 0.00 C ATOM 627 CD1 ILE A 464 1.815 -0.567 3.068 1.00 0.00 C ATOM 0 H ILE A 464 5.257 1.345 1.008 1.00 0.00 H new ATOM 0 HA ILE A 464 3.635 3.582 1.984 1.00 0.00 H new ATOM 0 HB ILE A 464 2.029 2.082 3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 464 3.348 -0.247 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.792 0.211 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 464 0.906 1.176 1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 464 1.532 2.817 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 464 2.398 1.406 0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 464 2.137 -1.589 3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 464 1.460 -0.112 3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 464 1.008 -0.577 2.335 1.00 0.00 H new ATOM 639 N GLN A 465 4.262 2.910 4.459 1.00 0.00 N ATOM 640 CA GLN A 465 4.966 2.812 5.732 1.00 0.00 C ATOM 641 C GLN A 465 4.258 1.842 6.672 1.00 0.00 C ATOM 642 O GLN A 465 3.255 2.188 7.297 1.00 0.00 O ATOM 643 CB GLN A 465 5.071 4.190 6.388 1.00 0.00 C ATOM 644 CG GLN A 465 5.761 4.169 7.742 1.00 0.00 C ATOM 645 CD GLN A 465 6.431 5.487 8.077 1.00 0.00 C ATOM 646 OE1 GLN A 465 5.802 6.544 8.035 1.00 0.00 O ATOM 647 NE2 GLN A 465 7.715 5.430 8.413 1.00 0.00 N ATOM 0 H GLN A 465 3.386 3.431 4.500 1.00 0.00 H new ATOM 0 HA GLN A 465 5.969 2.433 5.536 1.00 0.00 H new ATOM 0 HB2 GLN A 465 5.616 4.859 5.722 1.00 0.00 H new ATOM 0 HB3 GLN A 465 4.070 4.604 6.506 1.00 0.00 H new ATOM 0 HG2 GLN A 465 5.030 3.931 8.514 1.00 0.00 H new ATOM 0 HG3 GLN A 465 6.506 3.374 7.753 1.00 0.00 H new ATOM 0 HE21 GLN A 465 8.197 4.531 8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 465 8.219 6.285 8.649 1.00 0.00 H new ATOM 656 N ILE A 466 4.786 0.626 6.767 1.00 0.00 N ATOM 657 CA ILE A 466 4.205 -0.394 7.631 1.00 0.00 C ATOM 658 C ILE A 466 4.743 -0.280 9.053 1.00 0.00 C ATOM 659 O ILE A 466 5.891 -0.633 9.324 1.00 0.00 O ATOM 660 CB ILE A 466 4.488 -1.811 7.098 1.00 0.00 C ATOM 661 CG1 ILE A 466 3.947 -1.962 5.675 1.00 0.00 C ATOM 662 CG2 ILE A 466 3.874 -2.855 8.018 1.00 0.00 C ATOM 663 CD1 ILE A 466 4.457 -3.195 4.963 1.00 0.00 C ATOM 0 H ILE A 466 5.615 0.323 6.256 1.00 0.00 H new ATOM 0 HA ILE A 466 3.128 -0.226 7.638 1.00 0.00 H new ATOM 0 HB ILE A 466 5.567 -1.966 7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 466 2.858 -1.997 5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 466 4.219 -1.079 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 466 4.082 -3.851 7.628 1.00 0.00 H new ATOM 0 HG22 ILE A 466 4.303 -2.759 9.015 1.00 0.00 H new ATOM 0 HG23 ILE A 466 2.796 -2.704 8.071 1.00 0.00 H new ATOM 0 HD11 ILE A 466 4.033 -3.238 3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 466 5.544 -3.153 4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 466 4.162 -4.085 5.520 1.00 0.00 H new ATOM 675 N SER A 467 3.904 0.212 9.960 1.00 0.00 N ATOM 676 CA SER A 467 4.296 0.374 11.355 1.00 0.00 C ATOM 677 C SER A 467 3.848 -0.824 12.187 1.00 0.00 C ATOM 678 O SER A 467 2.653 -1.083 12.330 1.00 0.00 O ATOM 679 CB SER A 467 3.697 1.659 11.929 1.00 0.00 C ATOM 680 OG SER A 467 4.574 2.757 11.744 1.00 0.00 O ATOM 0 H SER A 467 2.949 0.505 9.753 1.00 0.00 H new ATOM 0 HA SER A 467 5.383 0.438 11.396 1.00 0.00 H new ATOM 0 HB2 SER A 467 2.742 1.867 11.446 1.00 0.00 H new ATOM 0 HB3 SER A 467 3.494 1.526 12.992 1.00 0.00 H new ATOM 0 HG SER A 467 4.168 3.567 12.118 1.00 0.00 H new ATOM 686 N TRP A 468 4.816 -1.552 12.733 1.00 0.00 N ATOM 687 CA TRP A 468 4.523 -2.723 13.551 1.00 0.00 C ATOM 688 C TRP A 468 4.177 -2.317 14.979 1.00 0.00 C ATOM 689 O TRP A 468 5.044 -1.882 15.737 1.00 0.00 O ATOM 690 CB TRP A 468 5.716 -3.680 13.554 1.00 0.00 C ATOM 691 CG TRP A 468 5.942 -4.352 12.234 1.00 0.00 C ATOM 692 CD1 TRP A 468 6.653 -3.862 11.175 1.00 0.00 C ATOM 693 CD2 TRP A 468 5.454 -5.637 11.831 1.00 0.00 C ATOM 694 NE1 TRP A 468 6.636 -4.764 10.139 1.00 0.00 N ATOM 695 CE2 TRP A 468 5.908 -5.861 10.516 1.00 0.00 C ATOM 696 CE3 TRP A 468 4.680 -6.620 12.454 1.00 0.00 C ATOM 697 CZ2 TRP A 468 5.611 -7.027 9.816 1.00 0.00 C ATOM 698 CZ3 TRP A 468 4.386 -7.776 11.757 1.00 0.00 C ATOM 699 CH2 TRP A 468 4.851 -7.973 10.450 1.00 0.00 C ATOM 0 H TRP A 468 5.810 -1.352 12.624 1.00 0.00 H new ATOM 0 HA TRP A 468 3.661 -3.231 13.119 1.00 0.00 H new ATOM 0 HB2 TRP A 468 6.614 -3.128 13.831 1.00 0.00 H new ATOM 0 HB3 TRP A 468 5.560 -4.441 14.319 1.00 0.00 H new ATOM 0 HD1 TRP A 468 7.155 -2.906 11.155 1.00 0.00 H new ATOM 0 HE1 TRP A 468 7.092 -4.637 9.235 1.00 0.00 H new ATOM 0 HE3 TRP A 468 4.318 -6.478 13.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 5.968 -7.180 8.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 3.787 -8.541 12.228 1.00 0.00 H new ATOM 0 HH2 TRP A 468 4.605 -8.889 9.933 1.00 0.00 H new ATOM 710 N ILE A 469 2.906 -2.462 15.339 1.00 0.00 N ATOM 711 CA ILE A 469 2.448 -2.111 16.678 1.00 0.00 C ATOM 712 C ILE A 469 2.564 -3.299 17.628 1.00 0.00 C ATOM 713 O ILE A 469 3.359 -3.279 18.568 1.00 0.00 O ATOM 714 CB ILE A 469 0.987 -1.622 16.662 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.771 -0.630 15.518 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.628 -0.986 17.997 1.00 0.00 C ATOM 717 CD1 ILE A 469 -0.634 -0.649 14.959 1.00 0.00 C ATOM 0 H ILE A 469 2.176 -2.820 14.723 1.00 0.00 H new ATOM 0 HA ILE A 469 3.090 -1.303 17.030 1.00 0.00 H new ATOM 0 HB ILE A 469 0.333 -2.479 16.502 1.00 0.00 H new ATOM 0 HG12 ILE A 469 0.999 0.375 15.872 1.00 0.00 H new ATOM 0 HG13 ILE A 469 1.475 -0.853 14.717 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.407 -0.645 17.971 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.748 -1.720 18.794 1.00 0.00 H new ATOM 0 HG23 ILE A 469 1.285 -0.137 18.184 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -0.714 0.079 14.152 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -0.859 -1.644 14.574 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -1.343 -0.396 15.748 1.00 0.00 H new ATOM 729 N ASP A 470 1.768 -4.332 17.375 1.00 0.00 N ATOM 730 CA ASP A 470 1.783 -5.530 18.206 1.00 0.00 C ATOM 731 C ASP A 470 2.040 -6.774 17.361 1.00 0.00 C ATOM 732 O ASP A 470 2.266 -6.681 16.154 1.00 0.00 O ATOM 733 CB ASP A 470 0.459 -5.673 18.957 1.00 0.00 C ATOM 734 CG ASP A 470 0.588 -6.527 20.203 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.275 -6.092 21.151 1.00 0.00 O ATOM 736 OD2 ASP A 470 0.003 -7.629 20.229 1.00 0.00 O ATOM 0 H ASP A 470 1.104 -4.364 16.601 1.00 0.00 H new ATOM 0 HA ASP A 470 2.592 -5.430 18.929 1.00 0.00 H new ATOM 0 HB2 ASP A 470 0.094 -4.684 19.234 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -0.285 -6.114 18.294 1.00 0.00 H new ATOM 741 N ASP A 471 2.005 -7.936 18.003 1.00 0.00 N ATOM 742 CA ASP A 471 2.234 -9.199 17.310 1.00 0.00 C ATOM 743 C ASP A 471 1.152 -9.450 16.265 1.00 0.00 C ATOM 744 O ASP A 471 1.383 -10.132 15.266 1.00 0.00 O ATOM 745 CB ASP A 471 2.272 -10.355 18.312 1.00 0.00 C ATOM 746 CG ASP A 471 3.124 -11.512 17.829 1.00 0.00 C ATOM 747 OD1 ASP A 471 4.270 -11.265 17.399 1.00 0.00 O ATOM 748 OD2 ASP A 471 2.645 -12.664 17.880 1.00 0.00 O ATOM 0 H ASP A 471 1.820 -8.030 19.002 1.00 0.00 H new ATOM 0 HA ASP A 471 3.196 -9.137 16.802 1.00 0.00 H new ATOM 0 HB2 ASP A 471 2.661 -9.994 19.264 1.00 0.00 H new ATOM 0 HB3 ASP A 471 1.257 -10.707 18.495 1.00 0.00 H new ATOM 753 N THR A 472 -0.033 -8.895 16.503 1.00 0.00 N ATOM 754 CA THR A 472 -1.152 -9.061 15.584 1.00 0.00 C ATOM 755 C THR A 472 -1.782 -7.716 15.238 1.00 0.00 C ATOM 756 O THR A 472 -2.935 -7.652 14.812 1.00 0.00 O ATOM 757 CB THR A 472 -2.234 -9.984 16.176 1.00 0.00 C ATOM 758 OG1 THR A 472 -2.763 -9.411 17.377 1.00 0.00 O ATOM 759 CG2 THR A 472 -1.664 -11.363 16.475 1.00 0.00 C ATOM 0 H THR A 472 -0.242 -8.327 17.324 1.00 0.00 H new ATOM 0 HA THR A 472 -0.752 -9.517 14.678 1.00 0.00 H new ATOM 0 HB THR A 472 -3.032 -10.089 15.441 1.00 0.00 H new ATOM 0 HG1 THR A 472 -3.451 -10.003 17.746 1.00 0.00 H new ATOM 0 HG21 THR A 472 -2.446 -11.997 16.892 1.00 0.00 H new ATOM 0 HG22 THR A 472 -1.288 -11.809 15.554 1.00 0.00 H new ATOM 0 HG23 THR A 472 -0.849 -11.272 17.193 1.00 0.00 H new ATOM 767 N SER A 473 -1.018 -6.645 15.422 1.00 0.00 N ATOM 768 CA SER A 473 -1.503 -5.301 15.132 1.00 0.00 C ATOM 769 C SER A 473 -0.473 -4.514 14.327 1.00 0.00 C ATOM 770 O SER A 473 0.720 -4.541 14.629 1.00 0.00 O ATOM 771 CB SER A 473 -1.826 -4.560 16.431 1.00 0.00 C ATOM 772 OG SER A 473 -2.745 -3.506 16.202 1.00 0.00 O ATOM 0 H SER A 473 -0.060 -6.682 15.771 1.00 0.00 H new ATOM 0 HA SER A 473 -2.412 -5.390 14.538 1.00 0.00 H new ATOM 0 HB2 SER A 473 -2.242 -5.258 17.158 1.00 0.00 H new ATOM 0 HB3 SER A 473 -0.909 -4.160 16.863 1.00 0.00 H new ATOM 0 HG SER A 473 -2.936 -3.049 17.048 1.00 0.00 H new ATOM 778 N ALA A 474 -0.943 -3.813 13.301 1.00 0.00 N ATOM 779 CA ALA A 474 -0.065 -3.016 12.453 1.00 0.00 C ATOM 780 C ALA A 474 -0.737 -1.711 12.039 1.00 0.00 C ATOM 781 O ALA A 474 -1.917 -1.494 12.316 1.00 0.00 O ATOM 782 CB ALA A 474 0.347 -3.813 11.224 1.00 0.00 C ATOM 0 H ALA A 474 -1.928 -3.781 13.037 1.00 0.00 H new ATOM 0 HA ALA A 474 0.827 -2.768 13.028 1.00 0.00 H new ATOM 0 HB1 ALA A 474 1.002 -3.206 10.600 1.00 0.00 H new ATOM 0 HB2 ALA A 474 0.875 -4.714 11.535 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -0.541 -4.090 10.656 1.00 0.00 H new ATOM 788 N PHE A 475 0.022 -0.845 11.376 1.00 0.00 N ATOM 789 CA PHE A 475 -0.500 0.440 10.926 1.00 0.00 C ATOM 790 C PHE A 475 -0.129 0.698 9.468 1.00 0.00 C ATOM 791 O PHE A 475 0.964 0.346 9.023 1.00 0.00 O ATOM 792 CB PHE A 475 0.037 1.570 11.808 1.00 0.00 C ATOM 793 CG PHE A 475 -0.845 1.884 12.982 1.00 0.00 C ATOM 794 CD1 PHE A 475 -2.216 2.007 12.822 1.00 0.00 C ATOM 795 CD2 PHE A 475 -0.303 2.058 14.245 1.00 0.00 C ATOM 796 CE1 PHE A 475 -3.031 2.296 13.901 1.00 0.00 C ATOM 797 CE2 PHE A 475 -1.113 2.347 15.328 1.00 0.00 C ATOM 798 CZ PHE A 475 -2.478 2.467 15.155 1.00 0.00 C ATOM 0 H PHE A 475 1.000 -1.010 11.138 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.587 0.410 11.006 1.00 0.00 H new ATOM 0 HB2 PHE A 475 1.028 1.297 12.171 1.00 0.00 H new ATOM 0 HB3 PHE A 475 0.155 2.468 11.202 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -2.653 1.876 11.843 1.00 0.00 H new ATOM 0 HD2 PHE A 475 0.764 1.967 14.385 1.00 0.00 H new ATOM 0 HE1 PHE A 475 -4.098 2.388 13.763 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.679 2.479 16.308 1.00 0.00 H new ATOM 0 HZ PHE A 475 -3.112 2.694 15.999 1.00 0.00 H new ATOM 808 N VAL A 476 -1.047 1.313 8.730 1.00 0.00 N ATOM 809 CA VAL A 476 -0.817 1.619 7.323 1.00 0.00 C ATOM 810 C VAL A 476 -1.036 3.101 7.039 1.00 0.00 C ATOM 811 O VAL A 476 -2.001 3.698 7.517 1.00 0.00 O ATOM 812 CB VAL A 476 -1.741 0.790 6.411 1.00 0.00 C ATOM 813 CG1 VAL A 476 -1.480 1.117 4.948 1.00 0.00 C ATOM 814 CG2 VAL A 476 -1.556 -0.696 6.675 1.00 0.00 C ATOM 0 H VAL A 476 -1.957 1.609 9.083 1.00 0.00 H new ATOM 0 HA VAL A 476 0.220 1.361 7.108 1.00 0.00 H new ATOM 0 HB VAL A 476 -2.775 1.050 6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -2.142 0.522 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.668 2.176 4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.443 0.887 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -2.216 -1.267 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -0.521 -0.975 6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -1.798 -0.914 7.715 1.00 0.00 H new ATOM 824 N SER A 477 -0.135 3.688 6.258 1.00 0.00 N ATOM 825 CA SER A 477 -0.228 5.101 5.913 1.00 0.00 C ATOM 826 C SER A 477 -0.376 5.284 4.406 1.00 0.00 C ATOM 827 O SER A 477 0.278 4.598 3.618 1.00 0.00 O ATOM 828 CB SER A 477 1.009 5.852 6.410 1.00 0.00 C ATOM 829 OG SER A 477 2.040 5.836 5.438 1.00 0.00 O ATOM 0 H SER A 477 0.668 3.207 5.852 1.00 0.00 H new ATOM 0 HA SER A 477 -1.113 5.510 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 477 0.743 6.882 6.645 1.00 0.00 H new ATOM 0 HB3 SER A 477 1.368 5.397 7.333 1.00 0.00 H new ATOM 0 HG SER A 477 2.819 6.324 5.779 1.00 0.00 H new ATOM 835 N LEU A 478 -1.239 6.213 4.011 1.00 0.00 N ATOM 836 CA LEU A 478 -1.474 6.487 2.597 1.00 0.00 C ATOM 837 C LEU A 478 -1.277 7.968 2.290 1.00 0.00 C ATOM 838 O LEU A 478 -1.177 8.793 3.198 1.00 0.00 O ATOM 839 CB LEU A 478 -2.888 6.057 2.202 1.00 0.00 C ATOM 840 CG LEU A 478 -3.138 4.549 2.141 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.550 4.262 1.654 1.00 0.00 C ATOM 842 CD2 LEU A 478 -2.113 3.875 1.241 1.00 0.00 C ATOM 0 H LEU A 478 -1.788 6.789 4.649 1.00 0.00 H new ATOM 0 HA LEU A 478 -0.751 5.914 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -3.591 6.493 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -3.116 6.483 1.225 1.00 0.00 H new ATOM 0 HG LEU A 478 -3.033 4.141 3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.710 3.184 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -5.269 4.712 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.684 4.683 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -2.306 2.803 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -2.186 4.287 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -1.112 4.052 1.634 1.00 0.00 H new ATOM 854 N SER A 479 -1.224 8.298 1.003 1.00 0.00 N ATOM 855 CA SER A 479 -1.038 9.680 0.576 1.00 0.00 C ATOM 856 C SER A 479 -2.362 10.438 0.595 1.00 0.00 C ATOM 857 O SER A 479 -2.451 11.537 1.142 1.00 0.00 O ATOM 858 CB SER A 479 -0.432 9.724 -0.828 1.00 0.00 C ATOM 859 OG SER A 479 0.184 10.975 -1.079 1.00 0.00 O ATOM 0 H SER A 479 -1.307 7.628 0.239 1.00 0.00 H new ATOM 0 HA SER A 479 -0.354 10.162 1.275 1.00 0.00 H new ATOM 0 HB2 SER A 479 0.302 8.926 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 479 -1.210 9.543 -1.569 1.00 0.00 H new ATOM 0 HG SER A 479 0.565 10.977 -1.982 1.00 0.00 H new ATOM 865 N GLN A 480 -3.386 9.842 -0.006 1.00 0.00 N ATOM 866 CA GLN A 480 -4.705 10.461 -0.059 1.00 0.00 C ATOM 867 C GLN A 480 -5.760 9.550 0.561 1.00 0.00 C ATOM 868 O GLN A 480 -5.579 8.337 0.673 1.00 0.00 O ATOM 869 CB GLN A 480 -5.082 10.786 -1.505 1.00 0.00 C ATOM 870 CG GLN A 480 -4.600 12.152 -1.968 1.00 0.00 C ATOM 871 CD GLN A 480 -5.481 13.281 -1.472 1.00 0.00 C ATOM 872 OE1 GLN A 480 -6.528 13.568 -2.053 1.00 0.00 O ATOM 873 NE2 GLN A 480 -5.062 13.929 -0.391 1.00 0.00 N ATOM 0 H GLN A 480 -3.328 8.932 -0.463 1.00 0.00 H new ATOM 0 HA GLN A 480 -4.667 11.386 0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -4.665 10.022 -2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -6.166 10.738 -1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -3.580 12.311 -1.617 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -4.569 12.172 -3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -4.188 13.658 0.059 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -5.614 14.698 -0.011 1.00 0.00 H new ATOM 882 N PRO A 481 -6.888 10.145 0.975 1.00 0.00 N ATOM 883 CA PRO A 481 -7.994 9.406 1.591 1.00 0.00 C ATOM 884 C PRO A 481 -8.717 8.508 0.593 1.00 0.00 C ATOM 885 O PRO A 481 -9.174 7.420 0.941 1.00 0.00 O ATOM 886 CB PRO A 481 -8.926 10.512 2.089 1.00 0.00 C ATOM 887 CG PRO A 481 -8.634 11.679 1.211 1.00 0.00 C ATOM 888 CD PRO A 481 -7.171 11.587 0.873 1.00 0.00 C ATOM 0 HA PRO A 481 -7.648 8.736 2.378 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -9.971 10.212 2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -8.736 10.747 3.136 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -9.245 11.651 0.309 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -8.859 12.616 1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -6.965 11.967 -0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -6.561 12.166 1.566 1.00 0.00 H new ATOM 896 N GLU A 482 -8.817 8.972 -0.649 1.00 0.00 N ATOM 897 CA GLU A 482 -9.486 8.209 -1.697 1.00 0.00 C ATOM 898 C GLU A 482 -9.177 6.721 -1.568 1.00 0.00 C ATOM 899 O GLU A 482 -10.081 5.901 -1.409 1.00 0.00 O ATOM 900 CB GLU A 482 -9.058 8.713 -3.077 1.00 0.00 C ATOM 901 CG GLU A 482 -9.598 10.092 -3.416 1.00 0.00 C ATOM 902 CD GLU A 482 -11.025 10.050 -3.927 1.00 0.00 C ATOM 903 OE1 GLU A 482 -11.309 9.231 -4.827 1.00 0.00 O ATOM 904 OE2 GLU A 482 -11.858 10.836 -3.429 1.00 0.00 O ATOM 0 H GLU A 482 -8.444 9.871 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 482 -10.561 8.350 -1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -7.969 8.737 -3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -9.394 8.004 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -9.552 10.724 -2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -8.960 10.553 -4.170 1.00 0.00 H new ATOM 911 N GLN A 483 -7.894 6.380 -1.639 1.00 0.00 N ATOM 912 CA GLN A 483 -7.466 4.990 -1.532 1.00 0.00 C ATOM 913 C GLN A 483 -8.247 4.263 -0.442 1.00 0.00 C ATOM 914 O GLN A 483 -8.774 3.173 -0.665 1.00 0.00 O ATOM 915 CB GLN A 483 -5.967 4.918 -1.236 1.00 0.00 C ATOM 916 CG GLN A 483 -5.094 5.195 -2.449 1.00 0.00 C ATOM 917 CD GLN A 483 -5.004 6.673 -2.777 1.00 0.00 C ATOM 918 OE1 GLN A 483 -5.002 7.520 -1.884 1.00 0.00 O ATOM 919 NE2 GLN A 483 -4.929 6.989 -4.065 1.00 0.00 N ATOM 0 H GLN A 483 -7.133 7.047 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 483 -7.665 4.500 -2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.725 5.636 -0.453 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.729 3.928 -0.846 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -4.092 4.805 -2.268 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -5.494 4.659 -3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -4.934 6.253 -4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -4.866 7.967 -4.347 1.00 0.00 H new ATOM 928 N VAL A 484 -8.318 4.873 0.736 1.00 0.00 N ATOM 929 CA VAL A 484 -9.035 4.284 1.861 1.00 0.00 C ATOM 930 C VAL A 484 -10.301 3.574 1.394 1.00 0.00 C ATOM 931 O VAL A 484 -10.588 2.455 1.817 1.00 0.00 O ATOM 932 CB VAL A 484 -9.413 5.350 2.906 1.00 0.00 C ATOM 933 CG1 VAL A 484 -10.163 4.716 4.068 1.00 0.00 C ATOM 934 CG2 VAL A 484 -8.171 6.078 3.397 1.00 0.00 C ATOM 0 H VAL A 484 -7.888 5.776 0.937 1.00 0.00 H new ATOM 0 HA VAL A 484 -8.363 3.559 2.320 1.00 0.00 H new ATOM 0 HB VAL A 484 -10.071 6.079 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 484 -10.422 5.484 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 484 -11.074 4.244 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -9.531 3.965 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -8.457 6.828 4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -7.486 5.363 3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -7.679 6.566 2.556 1.00 0.00 H new ATOM 944 N GLN A 485 -11.054 4.234 0.520 1.00 0.00 N ATOM 945 CA GLN A 485 -12.290 3.666 -0.005 1.00 0.00 C ATOM 946 C GLN A 485 -12.023 2.342 -0.714 1.00 0.00 C ATOM 947 O GLN A 485 -12.750 1.367 -0.523 1.00 0.00 O ATOM 948 CB GLN A 485 -12.960 4.648 -0.967 1.00 0.00 C ATOM 949 CG GLN A 485 -13.587 5.847 -0.275 1.00 0.00 C ATOM 950 CD GLN A 485 -14.450 5.452 0.908 1.00 0.00 C ATOM 951 OE1 GLN A 485 -15.587 5.009 0.741 1.00 0.00 O ATOM 952 NE2 GLN A 485 -13.914 5.610 2.112 1.00 0.00 N ATOM 0 H GLN A 485 -10.830 5.162 0.161 1.00 0.00 H new ATOM 0 HA GLN A 485 -12.959 3.479 0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 485 -12.221 5.000 -1.686 1.00 0.00 H new ATOM 0 HB3 GLN A 485 -13.729 4.122 -1.532 1.00 0.00 H new ATOM 0 HG2 GLN A 485 -12.799 6.520 0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 485 -14.192 6.401 -0.993 1.00 0.00 H new ATOM 0 HE21 GLN A 485 -12.968 5.981 2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 485 -14.448 5.361 2.945 1.00 0.00 H new ATOM 961 N ILE A 486 -10.977 2.316 -1.533 1.00 0.00 N ATOM 962 CA ILE A 486 -10.614 1.112 -2.270 1.00 0.00 C ATOM 963 C ILE A 486 -10.065 0.040 -1.335 1.00 0.00 C ATOM 964 O ILE A 486 -10.516 -1.105 -1.354 1.00 0.00 O ATOM 965 CB ILE A 486 -9.568 1.413 -3.359 1.00 0.00 C ATOM 966 CG1 ILE A 486 -10.194 2.237 -4.486 1.00 0.00 C ATOM 967 CG2 ILE A 486 -8.984 0.118 -3.904 1.00 0.00 C ATOM 968 CD1 ILE A 486 -10.148 3.729 -4.240 1.00 0.00 C ATOM 0 H ILE A 486 -10.366 3.115 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 486 -11.524 0.745 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 486 -8.761 1.995 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -9.676 2.014 -5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -11.232 1.930 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -8.246 0.347 -4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -8.506 -0.434 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -9.781 -0.488 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -10.609 4.250 -5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -10.691 3.964 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -9.111 4.049 -4.139 1.00 0.00 H new ATOM 980 N ALA A 487 -9.089 0.419 -0.517 1.00 0.00 N ATOM 981 CA ALA A 487 -8.480 -0.508 0.428 1.00 0.00 C ATOM 982 C ALA A 487 -9.539 -1.189 1.289 1.00 0.00 C ATOM 983 O ALA A 487 -9.470 -2.392 1.540 1.00 0.00 O ATOM 984 CB ALA A 487 -7.472 0.218 1.306 1.00 0.00 C ATOM 0 H ALA A 487 -8.703 1.363 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 487 -7.961 -1.279 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.025 -0.487 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -6.691 0.652 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -7.976 1.010 1.860 1.00 0.00 H new ATOM 990 N VAL A 488 -10.519 -0.412 1.739 1.00 0.00 N ATOM 991 CA VAL A 488 -11.593 -0.940 2.571 1.00 0.00 C ATOM 992 C VAL A 488 -12.562 -1.782 1.748 1.00 0.00 C ATOM 993 O VAL A 488 -12.989 -2.853 2.178 1.00 0.00 O ATOM 994 CB VAL A 488 -12.375 0.192 3.264 1.00 0.00 C ATOM 995 CG1 VAL A 488 -13.422 -0.381 4.207 1.00 0.00 C ATOM 996 CG2 VAL A 488 -11.424 1.118 4.008 1.00 0.00 C ATOM 0 H VAL A 488 -10.591 0.586 1.541 1.00 0.00 H new ATOM 0 HA VAL A 488 -11.126 -1.567 3.331 1.00 0.00 H new ATOM 0 HB VAL A 488 -12.890 0.775 2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 488 -13.964 0.434 4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 488 -14.121 -0.999 3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 488 -12.933 -0.989 4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 488 -11.993 1.912 4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 488 -10.880 0.550 4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 488 -10.717 1.556 3.303 1.00 0.00 H new ATOM 1006 N ASN A 489 -12.905 -1.290 0.562 1.00 0.00 N ATOM 1007 CA ASN A 489 -13.824 -1.998 -0.322 1.00 0.00 C ATOM 1008 C ASN A 489 -13.426 -3.464 -0.460 1.00 0.00 C ATOM 1009 O ASN A 489 -14.280 -4.349 -0.524 1.00 0.00 O ATOM 1010 CB ASN A 489 -13.853 -1.333 -1.699 1.00 0.00 C ATOM 1011 CG ASN A 489 -15.039 -1.780 -2.532 1.00 0.00 C ATOM 1012 OD1 ASN A 489 -16.176 -1.382 -2.278 1.00 0.00 O ATOM 1013 ND2 ASN A 489 -14.779 -2.612 -3.534 1.00 0.00 N ATOM 0 H ASN A 489 -12.561 -0.404 0.191 1.00 0.00 H new ATOM 0 HA ASN A 489 -14.820 -1.951 0.118 1.00 0.00 H new ATOM 0 HB2 ASN A 489 -13.886 -0.250 -1.576 1.00 0.00 H new ATOM 0 HB3 ASN A 489 -12.931 -1.565 -2.231 1.00 0.00 H new ATOM 0 HD21 ASN A 489 -15.537 -2.947 -4.129 1.00 0.00 H new ATOM 0 HD22 ASN A 489 -13.821 -2.916 -3.709 1.00 0.00 H new ATOM 1020 N THR A 490 -12.121 -3.715 -0.506 1.00 0.00 N ATOM 1021 CA THR A 490 -11.608 -5.073 -0.637 1.00 0.00 C ATOM 1022 C THR A 490 -11.660 -5.812 0.695 1.00 0.00 C ATOM 1023 O THR A 490 -12.006 -6.992 0.748 1.00 0.00 O ATOM 1024 CB THR A 490 -10.158 -5.077 -1.157 1.00 0.00 C ATOM 1025 OG1 THR A 490 -9.304 -4.392 -0.235 1.00 0.00 O ATOM 1026 CG2 THR A 490 -10.071 -4.416 -2.524 1.00 0.00 C ATOM 0 H THR A 490 -11.400 -2.995 -0.454 1.00 0.00 H new ATOM 0 HA THR A 490 -12.247 -5.584 -1.357 1.00 0.00 H new ATOM 0 HB THR A 490 -9.833 -6.113 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 490 -9.831 -3.749 0.283 1.00 0.00 H new ATOM 0 HG21 THR A 490 -9.038 -4.431 -2.870 1.00 0.00 H new ATOM 0 HG22 THR A 490 -10.698 -4.959 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 490 -10.415 -3.384 -2.452 1.00 0.00 H new ATOM 1034 N SER A 491 -11.315 -5.109 1.770 1.00 0.00 N ATOM 1035 CA SER A 491 -11.320 -5.701 3.103 1.00 0.00 C ATOM 1036 C SER A 491 -12.736 -6.086 3.521 1.00 0.00 C ATOM 1037 O SER A 491 -12.934 -6.783 4.517 1.00 0.00 O ATOM 1038 CB SER A 491 -10.724 -4.724 4.119 1.00 0.00 C ATOM 1039 OG SER A 491 -11.662 -3.724 4.476 1.00 0.00 O ATOM 0 H SER A 491 -11.029 -4.130 1.744 1.00 0.00 H new ATOM 0 HA SER A 491 -10.710 -6.604 3.076 1.00 0.00 H new ATOM 0 HB2 SER A 491 -10.410 -5.268 5.010 1.00 0.00 H new ATOM 0 HB3 SER A 491 -9.832 -4.258 3.700 1.00 0.00 H new ATOM 0 HG SER A 491 -12.153 -3.436 3.678 1.00 0.00 H new ATOM 1045 N LYS A 492 -13.718 -5.627 2.753 1.00 0.00 N ATOM 1046 CA LYS A 492 -15.117 -5.924 3.040 1.00 0.00 C ATOM 1047 C LYS A 492 -15.383 -7.423 2.958 1.00 0.00 C ATOM 1048 O LYS A 492 -15.806 -8.043 3.935 1.00 0.00 O ATOM 1049 CB LYS A 492 -16.029 -5.178 2.063 1.00 0.00 C ATOM 1050 CG LYS A 492 -16.207 -3.708 2.399 1.00 0.00 C ATOM 1051 CD LYS A 492 -17.453 -3.134 1.745 1.00 0.00 C ATOM 1052 CE LYS A 492 -18.712 -3.524 2.506 1.00 0.00 C ATOM 1053 NZ LYS A 492 -18.765 -2.888 3.851 1.00 0.00 N ATOM 0 H LYS A 492 -13.571 -5.048 1.927 1.00 0.00 H new ATOM 0 HA LYS A 492 -15.333 -5.590 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -15.618 -5.265 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -17.006 -5.660 2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -16.273 -3.586 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -15.331 -3.150 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -17.375 -2.048 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -17.523 -3.490 0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -19.590 -3.231 1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -18.750 -4.608 2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -19.746 -2.888 4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -18.165 -3.422 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -18.421 -1.909 3.786 1.00 0.00 H new ATOM 1067 N TYR A 493 -15.133 -8.001 1.789 1.00 0.00 N ATOM 1068 CA TYR A 493 -15.347 -9.428 1.579 1.00 0.00 C ATOM 1069 C TYR A 493 -14.225 -10.245 2.211 1.00 0.00 C ATOM 1070 O TYR A 493 -14.461 -11.313 2.775 1.00 0.00 O ATOM 1071 CB TYR A 493 -15.439 -9.737 0.084 1.00 0.00 C ATOM 1072 CG TYR A 493 -14.095 -9.788 -0.607 1.00 0.00 C ATOM 1073 CD1 TYR A 493 -13.332 -10.950 -0.601 1.00 0.00 C ATOM 1074 CD2 TYR A 493 -13.588 -8.675 -1.266 1.00 0.00 C ATOM 1075 CE1 TYR A 493 -12.103 -11.001 -1.230 1.00 0.00 C ATOM 1076 CE2 TYR A 493 -12.361 -8.718 -1.900 1.00 0.00 C ATOM 1077 CZ TYR A 493 -11.622 -9.883 -1.879 1.00 0.00 C ATOM 1078 OH TYR A 493 -10.399 -9.929 -2.508 1.00 0.00 O ATOM 0 H TYR A 493 -14.782 -7.503 0.971 1.00 0.00 H new ATOM 0 HA TYR A 493 -16.287 -9.703 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 493 -15.944 -10.694 -0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 493 -16.057 -8.980 -0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 493 -13.706 -11.828 -0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 493 -14.163 -7.761 -1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 493 -11.522 -11.911 -1.214 1.00 0.00 H new ATOM 0 HE2 TYR A 493 -11.982 -7.844 -2.409 1.00 0.00 H new ATOM 0 HH TYR A 493 -10.209 -9.059 -2.917 1.00 0.00 H new ATOM 1088 N ALA A 494 -13.002 -9.735 2.113 1.00 0.00 N ATOM 1089 CA ALA A 494 -11.842 -10.414 2.677 1.00 0.00 C ATOM 1090 C ALA A 494 -12.078 -10.782 4.138 1.00 0.00 C ATOM 1091 O ALA A 494 -12.332 -9.914 4.972 1.00 0.00 O ATOM 1092 CB ALA A 494 -10.603 -9.542 2.543 1.00 0.00 C ATOM 0 H ALA A 494 -12.789 -8.853 1.648 1.00 0.00 H new ATOM 0 HA ALA A 494 -11.685 -11.337 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -9.745 -10.062 2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -10.416 -9.335 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -10.759 -8.604 3.075 1.00 0.00 H new ATOM 1098 N GLU A 495 -11.993 -12.074 4.439 1.00 0.00 N ATOM 1099 CA GLU A 495 -12.200 -12.556 5.800 1.00 0.00 C ATOM 1100 C GLU A 495 -10.865 -12.819 6.492 1.00 0.00 C ATOM 1101 O GLU A 495 -10.698 -12.521 7.675 1.00 0.00 O ATOM 1102 CB GLU A 495 -13.042 -13.833 5.791 1.00 0.00 C ATOM 1103 CG GLU A 495 -12.698 -14.797 6.913 1.00 0.00 C ATOM 1104 CD GLU A 495 -13.899 -15.591 7.390 1.00 0.00 C ATOM 1105 OE1 GLU A 495 -14.567 -16.221 6.543 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -14.171 -15.581 8.608 1.00 0.00 O ATOM 0 H GLU A 495 -11.782 -12.805 3.760 1.00 0.00 H new ATOM 0 HA GLU A 495 -12.732 -11.783 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 495 -14.096 -13.564 5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 495 -12.909 -14.339 4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 495 -11.925 -15.485 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 495 -12.280 -14.239 7.751 1.00 0.00 H new ATOM 1113 N SER A 496 -9.918 -13.378 5.746 1.00 0.00 N ATOM 1114 CA SER A 496 -8.600 -13.686 6.288 1.00 0.00 C ATOM 1115 C SER A 496 -8.034 -12.492 7.050 1.00 0.00 C ATOM 1116 O SER A 496 -7.531 -12.634 8.165 1.00 0.00 O ATOM 1117 CB SER A 496 -7.644 -14.087 5.163 1.00 0.00 C ATOM 1118 OG SER A 496 -7.862 -15.429 4.762 1.00 0.00 O ATOM 0 H SER A 496 -10.039 -13.627 4.764 1.00 0.00 H new ATOM 0 HA SER A 496 -8.705 -14.521 6.981 1.00 0.00 H new ATOM 0 HB2 SER A 496 -7.782 -13.422 4.310 1.00 0.00 H new ATOM 0 HB3 SER A 496 -6.613 -13.967 5.497 1.00 0.00 H new ATOM 0 HG SER A 496 -7.240 -15.660 4.041 1.00 0.00 H new ATOM 1124 N TYR A 497 -8.120 -11.314 6.441 1.00 0.00 N ATOM 1125 CA TYR A 497 -7.615 -10.095 7.060 1.00 0.00 C ATOM 1126 C TYR A 497 -8.731 -9.069 7.234 1.00 0.00 C ATOM 1127 O TYR A 497 -9.689 -9.040 6.461 1.00 0.00 O ATOM 1128 CB TYR A 497 -6.487 -9.499 6.215 1.00 0.00 C ATOM 1129 CG TYR A 497 -6.938 -9.022 4.853 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -7.707 -7.873 4.717 1.00 0.00 C ATOM 1131 CD2 TYR A 497 -6.596 -9.721 3.702 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -8.121 -7.433 3.475 1.00 0.00 C ATOM 1133 CE2 TYR A 497 -7.005 -9.289 2.456 1.00 0.00 C ATOM 1134 CZ TYR A 497 -7.768 -8.145 2.347 1.00 0.00 C ATOM 1135 OH TYR A 497 -8.178 -7.711 1.107 1.00 0.00 O ATOM 0 H TYR A 497 -8.535 -11.178 5.519 1.00 0.00 H new ATOM 0 HA TYR A 497 -7.226 -10.352 8.045 1.00 0.00 H new ATOM 0 HB2 TYR A 497 -6.043 -8.663 6.755 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -5.705 -10.248 6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -7.986 -7.314 5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 497 -6.000 -10.618 3.783 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -8.717 -6.537 3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 497 -6.729 -9.844 1.571 1.00 0.00 H new ATOM 0 HH TYR A 497 -7.844 -8.324 0.419 1.00 0.00 H new ATOM 1145 N ARG A 498 -8.600 -8.229 8.255 1.00 0.00 N ATOM 1146 CA ARG A 498 -9.597 -7.202 8.533 1.00 0.00 C ATOM 1147 C ARG A 498 -8.962 -5.815 8.533 1.00 0.00 C ATOM 1148 O ARG A 498 -8.011 -5.557 9.273 1.00 0.00 O ATOM 1149 CB ARG A 498 -10.271 -7.467 9.880 1.00 0.00 C ATOM 1150 CG ARG A 498 -11.515 -6.625 10.115 1.00 0.00 C ATOM 1151 CD ARG A 498 -12.071 -6.831 11.515 1.00 0.00 C ATOM 1152 NE ARG A 498 -12.721 -8.130 11.660 1.00 0.00 N ATOM 1153 CZ ARG A 498 -12.068 -9.249 11.955 1.00 0.00 C ATOM 1154 NH1 ARG A 498 -10.755 -9.227 12.134 1.00 0.00 N ATOM 1155 NH2 ARG A 498 -12.730 -10.394 12.071 1.00 0.00 N ATOM 0 H ARG A 498 -7.813 -8.239 8.904 1.00 0.00 H new ATOM 0 HA ARG A 498 -10.350 -7.238 7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 498 -10.540 -8.522 9.941 1.00 0.00 H new ATOM 0 HB3 ARG A 498 -9.555 -7.274 10.679 1.00 0.00 H new ATOM 0 HG2 ARG A 498 -11.276 -5.572 9.969 1.00 0.00 H new ATOM 0 HG3 ARG A 498 -12.276 -6.884 9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 498 -11.263 -6.747 12.242 1.00 0.00 H new ATOM 0 HD3 ARG A 498 -12.787 -6.040 11.741 1.00 0.00 H new ATOM 0 HE ARG A 498 -13.731 -8.181 11.528 1.00 0.00 H new ATOM 0 HH11 ARG A 498 -10.243 -8.349 12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 498 -10.257 -10.088 12.360 1.00 0.00 H new ATOM 0 HH21 ARG A 498 -13.740 -10.415 11.934 1.00 0.00 H new ATOM 0 HH22 ARG A 498 -12.228 -11.253 12.297 1.00 0.00 H new ATOM 1169 N ILE A 499 -9.493 -4.926 7.700 1.00 0.00 N ATOM 1170 CA ILE A 499 -8.979 -3.566 7.605 1.00 0.00 C ATOM 1171 C ILE A 499 -10.050 -2.546 7.977 1.00 0.00 C ATOM 1172 O ILE A 499 -11.210 -2.682 7.590 1.00 0.00 O ATOM 1173 CB ILE A 499 -8.462 -3.257 6.188 1.00 0.00 C ATOM 1174 CG1 ILE A 499 -7.359 -4.243 5.798 1.00 0.00 C ATOM 1175 CG2 ILE A 499 -7.952 -1.826 6.110 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -6.846 -4.049 4.388 1.00 0.00 C ATOM 0 H ILE A 499 -10.279 -5.124 7.081 1.00 0.00 H new ATOM 0 HA ILE A 499 -8.150 -3.492 8.309 1.00 0.00 H new ATOM 0 HB ILE A 499 -9.287 -3.367 5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -6.528 -4.140 6.496 1.00 0.00 H new ATOM 0 HG13 ILE A 499 -7.738 -5.260 5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 499 -7.590 -1.623 5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 499 -8.762 -1.137 6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 499 -7.138 -1.691 6.822 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -6.066 -4.782 4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -7.665 -4.181 3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -6.436 -3.044 4.285 1.00 0.00 H new ATOM 1188 N GLN A 500 -9.652 -1.525 8.728 1.00 0.00 N ATOM 1189 CA GLN A 500 -10.578 -0.481 9.151 1.00 0.00 C ATOM 1190 C GLN A 500 -9.888 0.879 9.184 1.00 0.00 C ATOM 1191 O GLN A 500 -8.726 1.007 8.797 1.00 0.00 O ATOM 1192 CB GLN A 500 -11.153 -0.808 10.530 1.00 0.00 C ATOM 1193 CG GLN A 500 -10.096 -0.940 11.614 1.00 0.00 C ATOM 1194 CD GLN A 500 -10.573 -1.758 12.798 1.00 0.00 C ATOM 1195 OE1 GLN A 500 -11.659 -1.526 13.330 1.00 0.00 O ATOM 1196 NE2 GLN A 500 -9.763 -2.723 13.216 1.00 0.00 N ATOM 0 H GLN A 500 -8.695 -1.398 9.056 1.00 0.00 H new ATOM 0 HA GLN A 500 -11.392 -0.437 8.427 1.00 0.00 H new ATOM 0 HB2 GLN A 500 -11.858 -0.027 10.815 1.00 0.00 H new ATOM 0 HB3 GLN A 500 -11.716 -1.739 10.468 1.00 0.00 H new ATOM 0 HG2 GLN A 500 -9.205 -1.404 11.192 1.00 0.00 H new ATOM 0 HG3 GLN A 500 -9.806 0.053 11.957 1.00 0.00 H new ATOM 0 HE21 GLN A 500 -8.872 -2.880 12.745 1.00 0.00 H new ATOM 0 HE22 GLN A 500 -10.032 -3.307 14.008 1.00 0.00 H new ATOM 1205 N THR A 501 -10.611 1.893 9.649 1.00 0.00 N ATOM 1206 CA THR A 501 -10.069 3.243 9.732 1.00 0.00 C ATOM 1207 C THR A 501 -9.523 3.533 11.126 1.00 0.00 C ATOM 1208 O THR A 501 -10.087 3.091 12.127 1.00 0.00 O ATOM 1209 CB THR A 501 -11.134 4.299 9.381 1.00 0.00 C ATOM 1210 OG1 THR A 501 -12.333 4.051 10.125 1.00 0.00 O ATOM 1211 CG2 THR A 501 -11.444 4.281 7.891 1.00 0.00 C ATOM 0 H THR A 501 -11.574 1.804 9.974 1.00 0.00 H new ATOM 0 HA THR A 501 -9.257 3.301 9.007 1.00 0.00 H new ATOM 0 HB THR A 501 -10.740 5.281 9.643 1.00 0.00 H new ATOM 0 HG1 THR A 501 -13.005 4.727 9.898 1.00 0.00 H new ATOM 0 HG21 THR A 501 -12.199 5.035 7.667 1.00 0.00 H new ATOM 0 HG22 THR A 501 -10.536 4.498 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 501 -11.819 3.297 7.609 1.00 0.00 H new ATOM 1219 N TYR A 502 -8.424 4.277 11.183 1.00 0.00 N ATOM 1220 CA TYR A 502 -7.802 4.623 12.455 1.00 0.00 C ATOM 1221 C TYR A 502 -8.856 4.838 13.537 1.00 0.00 C ATOM 1222 O TYR A 502 -8.731 4.329 14.650 1.00 0.00 O ATOM 1223 CB TYR A 502 -6.948 5.883 12.302 1.00 0.00 C ATOM 1224 CG TYR A 502 -6.058 6.160 13.493 1.00 0.00 C ATOM 1225 CD1 TYR A 502 -4.828 5.528 13.628 1.00 0.00 C ATOM 1226 CD2 TYR A 502 -6.448 7.053 14.483 1.00 0.00 C ATOM 1227 CE1 TYR A 502 -4.012 5.777 14.714 1.00 0.00 C ATOM 1228 CE2 TYR A 502 -5.638 7.309 15.573 1.00 0.00 C ATOM 1229 CZ TYR A 502 -4.421 6.669 15.684 1.00 0.00 C ATOM 1230 OH TYR A 502 -3.612 6.921 16.768 1.00 0.00 O ATOM 0 H TYR A 502 -7.946 4.652 10.364 1.00 0.00 H new ATOM 0 HA TYR A 502 -7.163 3.793 12.756 1.00 0.00 H new ATOM 0 HB2 TYR A 502 -6.328 5.786 11.411 1.00 0.00 H new ATOM 0 HB3 TYR A 502 -7.604 6.739 12.142 1.00 0.00 H new ATOM 0 HD1 TYR A 502 -4.504 4.830 12.870 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -7.400 7.556 14.399 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -3.059 5.276 14.804 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -5.956 8.006 16.334 1.00 0.00 H new ATOM 0 HH TYR A 502 -4.047 7.573 17.356 1.00 0.00 H new ATOM 1240 N ALA A 503 -9.894 5.595 13.200 1.00 0.00 N ATOM 1241 CA ALA A 503 -10.972 5.876 14.140 1.00 0.00 C ATOM 1242 C ALA A 503 -11.574 4.586 14.687 1.00 0.00 C ATOM 1243 O ALA A 503 -11.676 4.404 15.899 1.00 0.00 O ATOM 1244 CB ALA A 503 -12.048 6.721 13.473 1.00 0.00 C ATOM 0 H ALA A 503 -10.012 6.025 12.283 1.00 0.00 H new ATOM 0 HA ALA A 503 -10.554 6.435 14.977 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -12.847 6.923 14.187 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.615 7.663 13.137 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -12.454 6.183 12.617 1.00 0.00 H new ATOM 1250 N GLU A 504 -11.971 3.694 13.784 1.00 0.00 N ATOM 1251 CA GLU A 504 -12.563 2.422 14.178 1.00 0.00 C ATOM 1252 C GLU A 504 -11.675 1.696 15.184 1.00 0.00 C ATOM 1253 O GLU A 504 -12.166 0.995 16.070 1.00 0.00 O ATOM 1254 CB GLU A 504 -12.790 1.537 12.950 1.00 0.00 C ATOM 1255 CG GLU A 504 -13.976 1.965 12.102 1.00 0.00 C ATOM 1256 CD GLU A 504 -14.632 0.800 11.387 1.00 0.00 C ATOM 1257 OE1 GLU A 504 -13.996 0.229 10.477 1.00 0.00 O ATOM 1258 OE2 GLU A 504 -15.782 0.461 11.737 1.00 0.00 O ATOM 0 H GLU A 504 -11.893 3.829 12.776 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.523 2.629 14.650 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -11.891 1.548 12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -12.940 0.508 13.277 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -14.712 2.458 12.736 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -13.646 2.699 11.367 1.00 0.00 H new ATOM 1265 N TYR A 505 -10.366 1.868 15.040 1.00 0.00 N ATOM 1266 CA TYR A 505 -9.408 1.227 15.934 1.00 0.00 C ATOM 1267 C TYR A 505 -9.429 1.880 17.313 1.00 0.00 C ATOM 1268 O TYR A 505 -9.838 1.265 18.298 1.00 0.00 O ATOM 1269 CB TYR A 505 -7.999 1.302 15.343 1.00 0.00 C ATOM 1270 CG TYR A 505 -6.904 1.065 16.358 1.00 0.00 C ATOM 1271 CD1 TYR A 505 -6.797 -0.150 17.024 1.00 0.00 C ATOM 1272 CD2 TYR A 505 -5.974 2.056 16.651 1.00 0.00 C ATOM 1273 CE1 TYR A 505 -5.798 -0.370 17.952 1.00 0.00 C ATOM 1274 CE2 TYR A 505 -4.971 1.844 17.577 1.00 0.00 C ATOM 1275 CZ TYR A 505 -4.888 0.629 18.225 1.00 0.00 C ATOM 1276 OH TYR A 505 -3.891 0.413 19.149 1.00 0.00 O ATOM 0 H TYR A 505 -9.944 2.446 14.313 1.00 0.00 H new ATOM 0 HA TYR A 505 -9.694 0.181 16.043 1.00 0.00 H new ATOM 0 HB2 TYR A 505 -7.909 0.565 14.545 1.00 0.00 H new ATOM 0 HB3 TYR A 505 -7.856 2.283 14.889 1.00 0.00 H new ATOM 0 HD1 TYR A 505 -7.507 -0.936 16.812 1.00 0.00 H new ATOM 0 HD2 TYR A 505 -6.037 3.008 16.146 1.00 0.00 H new ATOM 0 HE1 TYR A 505 -5.730 -1.320 18.461 1.00 0.00 H new ATOM 0 HE2 TYR A 505 -4.256 2.625 17.792 1.00 0.00 H new ATOM 0 HH TYR A 505 -3.334 1.216 19.223 1.00 0.00 H new ATOM 1286 N VAL A 506 -8.984 3.131 17.375 1.00 0.00 N ATOM 1287 CA VAL A 506 -8.953 3.870 18.632 1.00 0.00 C ATOM 1288 C VAL A 506 -10.294 3.787 19.351 1.00 0.00 C ATOM 1289 O VAL A 506 -10.348 3.605 20.567 1.00 0.00 O ATOM 1290 CB VAL A 506 -8.595 5.350 18.404 1.00 0.00 C ATOM 1291 CG1 VAL A 506 -7.125 5.495 18.038 1.00 0.00 C ATOM 1292 CG2 VAL A 506 -9.483 5.952 17.325 1.00 0.00 C ATOM 0 H VAL A 506 -8.640 3.654 16.570 1.00 0.00 H new ATOM 0 HA VAL A 506 -8.183 3.410 19.251 1.00 0.00 H new ATOM 0 HB VAL A 506 -8.768 5.895 19.332 1.00 0.00 H new ATOM 0 HG11 VAL A 506 -6.891 6.548 17.881 1.00 0.00 H new ATOM 0 HG12 VAL A 506 -6.508 5.103 18.847 1.00 0.00 H new ATOM 0 HG13 VAL A 506 -6.921 4.938 17.124 1.00 0.00 H new ATOM 0 HG21 VAL A 506 -9.217 6.998 17.177 1.00 0.00 H new ATOM 0 HG22 VAL A 506 -9.343 5.406 16.392 1.00 0.00 H new ATOM 0 HG23 VAL A 506 -10.526 5.883 17.632 1.00 0.00 H new