USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 470 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 421 CYS SG : rot 98:sc= -18.3! USER MOD Set 1.2: A 427 CYS SG : rot 158:sc= -7.89! USER MOD Set 1.3: A 434 HIS : no HE2:sc= -9.19! C(o=-39!,f=-79!) USER MOD Set 1.4: A 440 HIS : no HD1:sc= -4.05! C(o=-39!,f=-80!) USER MOD Set 2.1: A 394 GLN : amide:sc= -0.286 K(o=-6.5,f=-9.8) USER MOD Set 2.2: A 395 HIS : no HD1:sc= -6.24! C(o=-6.5!,f=-8.4!) USER MOD Set 3.1: A 379 CYS SG : rot 106:sc= -10.7! USER MOD Set 3.2: A 385 CYS SG : rot -133:sc= -8.51! USER MOD Set 3.3: A 392 HIS : no HD1:sc= -3.88! C(o=-35!,f=-70!) USER MOD Set 3.4: A 398 HIS : no HD1:sc= -11.9! C(o=-35!,f=-67!) USER MOD Single : A 377 THR OG1 : rot 180:sc= -0.0533 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 380 MET CE :methyl -158:sc= -0.182 (180deg=-0.871) USER MOD Single : A 381 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 0.755 K(o=0.75,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= -0.0573 USER MOD Single : A 388 LYS NZ :NH3+ 161:sc= -0.0948 (180deg=-0.45) USER MOD Single : A 389 ASN : amide:sc= -1.19 K(o=-1.2,f=-8.9!) USER MOD Single : A 397 SER OG : rot -92:sc= -3.5! USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot -22:sc= 0.0687 USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ 166:sc= -0.0198 (180deg=-0.199) USER MOD Single : A 431 ASN : amide:sc= -4.81! C(o=-4.8!,f=-5.6!) USER MOD Single : A 433 GLN : amide:sc= -0.969 K(o=-0.97,f=-0.037) USER MOD Single : A 435 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.119) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -0.997 K(o=-1,f=-0.47) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.00799 USER MOD Single : A 447 ASN : amide:sc= 0.164 K(o=0.16,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 256 N ARG A 376 -5.920 12.509 -6.311 1.00 0.00 N ATOM 257 CA ARG A 376 -5.013 11.881 -7.261 1.00 0.00 C ATOM 258 C ARG A 376 -3.942 11.070 -6.551 1.00 0.00 C ATOM 259 O ARG A 376 -3.837 11.121 -5.325 1.00 0.00 O ATOM 260 CB ARG A 376 -4.350 12.931 -8.157 1.00 0.00 C ATOM 261 CG ARG A 376 -5.244 13.511 -9.243 1.00 0.00 C ATOM 262 CD ARG A 376 -6.277 14.492 -8.702 1.00 0.00 C ATOM 263 NE ARG A 376 -5.654 15.587 -7.956 1.00 0.00 N ATOM 264 CZ ARG A 376 -6.200 16.798 -7.835 1.00 0.00 C ATOM 265 NH1 ARG A 376 -7.316 17.105 -8.490 1.00 0.00 N ATOM 266 NH2 ARG A 376 -5.614 17.710 -7.085 1.00 0.00 N ATOM 0 HA ARG A 376 -5.607 11.207 -7.878 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -3.991 13.747 -7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.475 12.483 -8.629 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.625 14.016 -9.985 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -5.757 12.698 -9.756 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.857 14.901 -9.529 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.975 13.963 -8.054 1.00 0.00 H new ATOM 0 HE ARG A 376 -4.755 15.415 -7.505 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.762 16.412 -9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -7.726 18.034 -8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -4.745 17.489 -6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -6.030 18.637 -6.991 1.00 0.00 H new ATOM 280 N THR A 377 -3.159 10.342 -7.333 1.00 0.00 N ATOM 281 CA THR A 377 -2.062 9.557 -6.816 1.00 0.00 C ATOM 282 C THR A 377 -0.736 10.213 -7.207 1.00 0.00 C ATOM 283 O THR A 377 -0.703 11.072 -8.078 1.00 0.00 O ATOM 284 CB THR A 377 -2.129 8.112 -7.335 1.00 0.00 C ATOM 285 OG1 THR A 377 -1.041 7.334 -6.807 1.00 0.00 O ATOM 286 CG2 THR A 377 -2.107 8.057 -8.849 1.00 0.00 C ATOM 0 H THR A 377 -3.271 10.283 -8.345 1.00 0.00 H new ATOM 0 HA THR A 377 -2.135 9.521 -5.729 1.00 0.00 H new ATOM 0 HB THR A 377 -3.075 7.691 -6.993 1.00 0.00 H new ATOM 0 HG1 THR A 377 -1.100 6.416 -7.146 1.00 0.00 H new ATOM 0 HG21 THR A 377 -2.156 7.018 -9.176 1.00 0.00 H new ATOM 0 HG22 THR A 377 -2.963 8.603 -9.245 1.00 0.00 H new ATOM 0 HG23 THR A 377 -1.186 8.510 -9.216 1.00 0.00 H new ATOM 294 N SER A 378 0.347 9.829 -6.542 1.00 0.00 N ATOM 295 CA SER A 378 1.645 10.465 -6.740 1.00 0.00 C ATOM 296 C SER A 378 2.149 10.293 -8.178 1.00 0.00 C ATOM 297 O SER A 378 2.354 9.178 -8.671 1.00 0.00 O ATOM 298 CB SER A 378 2.653 9.891 -5.751 1.00 0.00 C ATOM 299 OG SER A 378 2.143 9.963 -4.426 1.00 0.00 O ATOM 0 H SER A 378 0.352 9.074 -5.856 1.00 0.00 H new ATOM 0 HA SER A 378 1.529 11.534 -6.563 1.00 0.00 H new ATOM 0 HB2 SER A 378 2.873 8.855 -6.007 1.00 0.00 H new ATOM 0 HB3 SER A 378 3.591 10.442 -5.817 1.00 0.00 H new ATOM 0 HG SER A 378 2.800 9.589 -3.802 1.00 0.00 H new ATOM 305 N CYS A 379 2.351 11.428 -8.859 1.00 0.00 N ATOM 306 CA CYS A 379 2.944 11.482 -10.213 1.00 0.00 C ATOM 307 C CYS A 379 4.249 10.731 -10.210 1.00 0.00 C ATOM 308 O CYS A 379 5.178 11.103 -9.499 1.00 0.00 O ATOM 309 CB CYS A 379 3.153 12.962 -10.616 1.00 0.00 C ATOM 310 SG CYS A 379 3.626 13.274 -12.355 1.00 0.00 S ATOM 0 H CYS A 379 2.107 12.346 -8.487 1.00 0.00 H new ATOM 0 HA CYS A 379 2.279 11.016 -10.940 1.00 0.00 H new ATOM 0 HB2 CYS A 379 2.231 13.505 -10.410 1.00 0.00 H new ATOM 0 HB3 CYS A 379 3.923 13.386 -9.971 1.00 0.00 H new ATOM 0 HG CYS A 379 2.606 13.755 -13.003 1.00 0.00 H new ATOM 315 N MET A 380 4.353 9.675 -11.033 1.00 0.00 N ATOM 316 CA MET A 380 5.515 8.772 -11.030 1.00 0.00 C ATOM 317 C MET A 380 6.834 9.531 -11.259 1.00 0.00 C ATOM 318 O MET A 380 7.897 9.084 -10.870 1.00 0.00 O ATOM 319 CB MET A 380 5.391 7.658 -12.069 1.00 0.00 C ATOM 320 CG MET A 380 5.472 8.152 -13.506 1.00 0.00 C ATOM 321 SD MET A 380 5.418 6.798 -14.711 1.00 0.00 S ATOM 322 CE MET A 380 6.882 5.873 -14.250 1.00 0.00 C ATOM 0 H MET A 380 3.638 9.424 -11.716 1.00 0.00 H new ATOM 0 HA MET A 380 5.531 8.321 -10.038 1.00 0.00 H new ATOM 0 HB2 MET A 380 6.181 6.926 -11.900 1.00 0.00 H new ATOM 0 HB3 MET A 380 4.442 7.142 -11.924 1.00 0.00 H new ATOM 0 HG2 MET A 380 4.647 8.838 -13.698 1.00 0.00 H new ATOM 0 HG3 MET A 380 6.394 8.717 -13.641 1.00 0.00 H new ATOM 0 HE1 MET A 380 7.209 5.266 -15.094 1.00 0.00 H new ATOM 0 HE2 MET A 380 7.677 6.565 -13.971 1.00 0.00 H new ATOM 0 HE3 MET A 380 6.652 5.225 -13.404 1.00 0.00 H new ATOM 332 N TYR A 381 6.742 10.703 -11.890 1.00 0.00 N ATOM 333 CA TYR A 381 7.912 11.563 -12.087 1.00 0.00 C ATOM 334 C TYR A 381 7.886 12.764 -11.133 1.00 0.00 C ATOM 335 O TYR A 381 8.914 13.407 -10.919 1.00 0.00 O ATOM 336 CB TYR A 381 7.964 12.067 -13.538 1.00 0.00 C ATOM 337 CG TYR A 381 8.050 10.972 -14.589 1.00 0.00 C ATOM 338 CD1 TYR A 381 9.040 10.009 -14.546 1.00 0.00 C ATOM 339 CD2 TYR A 381 7.125 10.918 -15.635 1.00 0.00 C ATOM 340 CE1 TYR A 381 9.112 9.019 -15.510 1.00 0.00 C ATOM 341 CE2 TYR A 381 7.196 9.939 -16.593 1.00 0.00 C ATOM 342 CZ TYR A 381 8.186 8.992 -16.529 1.00 0.00 C ATOM 343 OH TYR A 381 8.261 8.012 -17.488 1.00 0.00 O ATOM 0 H TYR A 381 5.874 11.078 -12.272 1.00 0.00 H new ATOM 0 HA TYR A 381 8.800 10.968 -11.874 1.00 0.00 H new ATOM 0 HB2 TYR A 381 7.076 12.668 -13.731 1.00 0.00 H new ATOM 0 HB3 TYR A 381 8.825 12.726 -13.649 1.00 0.00 H new ATOM 0 HD1 TYR A 381 9.768 10.029 -13.749 1.00 0.00 H new ATOM 0 HD2 TYR A 381 6.341 11.659 -15.690 1.00 0.00 H new ATOM 0 HE1 TYR A 381 9.890 8.272 -15.464 1.00 0.00 H new ATOM 0 HE2 TYR A 381 6.474 9.914 -17.396 1.00 0.00 H new ATOM 0 HH TYR A 381 7.535 8.132 -18.135 1.00 0.00 H new ATOM 353 N GLY A 382 6.712 13.027 -10.550 1.00 0.00 N ATOM 354 CA GLY A 382 6.571 14.134 -9.631 1.00 0.00 C ATOM 355 C GLY A 382 6.781 15.455 -10.319 1.00 0.00 C ATOM 356 O GLY A 382 6.101 15.740 -11.293 1.00 0.00 O ATOM 0 H GLY A 382 5.860 12.488 -10.703 1.00 0.00 H new ATOM 0 HA2 GLY A 382 5.578 14.111 -9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 382 7.290 14.028 -8.819 1.00 0.00 H new ATOM 360 N ALA A 383 7.744 16.227 -9.850 1.00 0.00 N ATOM 361 CA ALA A 383 8.072 17.523 -10.458 1.00 0.00 C ATOM 362 C ALA A 383 8.997 17.348 -11.665 1.00 0.00 C ATOM 363 O ALA A 383 9.429 18.328 -12.263 1.00 0.00 O ATOM 364 CB ALA A 383 8.720 18.444 -9.424 1.00 0.00 C ATOM 0 H ALA A 383 8.322 15.985 -9.045 1.00 0.00 H new ATOM 0 HA ALA A 383 7.144 17.978 -10.806 1.00 0.00 H new ATOM 0 HB1 ALA A 383 8.958 19.401 -9.888 1.00 0.00 H new ATOM 0 HB2 ALA A 383 8.030 18.604 -8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 383 9.635 17.984 -9.050 1.00 0.00 H new ATOM 370 N ASN A 384 9.273 16.094 -12.029 1.00 0.00 N ATOM 371 CA ASN A 384 10.189 15.794 -13.134 1.00 0.00 C ATOM 372 C ASN A 384 9.452 15.542 -14.439 1.00 0.00 C ATOM 373 O ASN A 384 10.072 15.523 -15.510 1.00 0.00 O ATOM 374 CB ASN A 384 11.079 14.582 -12.797 1.00 0.00 C ATOM 375 CG ASN A 384 11.981 14.871 -11.602 1.00 0.00 C ATOM 376 OD1 ASN A 384 13.094 15.364 -11.763 1.00 0.00 O ATOM 377 ND2 ASN A 384 11.512 14.551 -10.398 1.00 0.00 N ATOM 0 H ASN A 384 8.877 15.270 -11.576 1.00 0.00 H new ATOM 0 HA ASN A 384 10.816 16.675 -13.268 1.00 0.00 H new ATOM 0 HB2 ASN A 384 10.452 13.717 -12.581 1.00 0.00 H new ATOM 0 HB3 ASN A 384 11.690 14.325 -13.662 1.00 0.00 H new ATOM 0 HD21 ASN A 384 12.083 14.714 -9.569 1.00 0.00 H new ATOM 0 HD22 ASN A 384 10.582 14.143 -10.305 1.00 0.00 H new ATOM 384 N CYS A 385 8.131 15.320 -14.389 1.00 0.00 N ATOM 385 CA CYS A 385 7.369 15.087 -15.601 1.00 0.00 C ATOM 386 C CYS A 385 7.191 16.387 -16.387 1.00 0.00 C ATOM 387 O CYS A 385 6.751 17.402 -15.847 1.00 0.00 O ATOM 388 CB CYS A 385 6.022 14.443 -15.276 1.00 0.00 C ATOM 389 SG CYS A 385 5.169 15.110 -13.821 1.00 0.00 S ATOM 0 H CYS A 385 7.583 15.299 -13.529 1.00 0.00 H new ATOM 0 HA CYS A 385 7.926 14.393 -16.231 1.00 0.00 H new ATOM 0 HB2 CYS A 385 5.368 14.553 -16.141 1.00 0.00 H new ATOM 0 HB3 CYS A 385 6.176 13.374 -15.127 1.00 0.00 H new ATOM 0 HG CYS A 385 4.746 14.130 -13.079 1.00 0.00 H new ATOM 394 N TYR A 386 7.560 16.343 -17.665 1.00 0.00 N ATOM 395 CA TYR A 386 7.495 17.503 -18.555 1.00 0.00 C ATOM 396 C TYR A 386 6.071 17.678 -19.087 1.00 0.00 C ATOM 397 O TYR A 386 5.783 18.649 -19.799 1.00 0.00 O ATOM 398 CB TYR A 386 8.479 17.362 -19.713 1.00 0.00 C ATOM 399 CG TYR A 386 8.329 16.063 -20.503 1.00 0.00 C ATOM 400 CD1 TYR A 386 7.403 15.943 -21.518 1.00 0.00 C ATOM 401 CD2 TYR A 386 9.133 14.966 -20.216 1.00 0.00 C ATOM 402 CE1 TYR A 386 7.270 14.768 -22.223 1.00 0.00 C ATOM 403 CE2 TYR A 386 9.005 13.782 -20.914 1.00 0.00 C ATOM 404 CZ TYR A 386 8.068 13.689 -21.914 1.00 0.00 C ATOM 405 OH TYR A 386 7.928 12.516 -22.611 1.00 0.00 O ATOM 0 H TYR A 386 7.914 15.499 -18.116 1.00 0.00 H new ATOM 0 HA TYR A 386 7.772 18.388 -17.983 1.00 0.00 H new ATOM 0 HB2 TYR A 386 8.348 18.205 -20.392 1.00 0.00 H new ATOM 0 HB3 TYR A 386 9.495 17.422 -19.322 1.00 0.00 H new ATOM 0 HD1 TYR A 386 6.772 16.784 -21.764 1.00 0.00 H new ATOM 0 HD2 TYR A 386 9.872 15.041 -19.432 1.00 0.00 H new ATOM 0 HE1 TYR A 386 6.541 14.693 -23.017 1.00 0.00 H new ATOM 0 HE2 TYR A 386 9.635 12.938 -20.676 1.00 0.00 H new ATOM 0 HH TYR A 386 8.566 11.855 -22.270 1.00 0.00 H new ATOM 415 N ARG A 387 5.201 16.737 -18.755 1.00 0.00 N ATOM 416 CA ARG A 387 3.814 16.771 -19.189 1.00 0.00 C ATOM 417 C ARG A 387 3.146 18.038 -18.669 1.00 0.00 C ATOM 418 O ARG A 387 3.194 18.350 -17.476 1.00 0.00 O ATOM 419 CB ARG A 387 3.070 15.537 -18.708 1.00 0.00 C ATOM 420 CG ARG A 387 3.685 14.228 -19.184 1.00 0.00 C ATOM 421 CD ARG A 387 3.713 14.111 -20.699 1.00 0.00 C ATOM 422 NE ARG A 387 4.493 12.958 -21.154 1.00 0.00 N ATOM 423 CZ ARG A 387 4.460 12.476 -22.398 1.00 0.00 C ATOM 424 NH1 ARG A 387 3.638 13.012 -23.303 1.00 0.00 N ATOM 425 NH2 ARG A 387 5.253 11.464 -22.730 1.00 0.00 N ATOM 0 H ARG A 387 5.436 15.930 -18.178 1.00 0.00 H new ATOM 0 HA ARG A 387 3.784 16.776 -20.279 1.00 0.00 H new ATOM 0 HB2 ARG A 387 3.044 15.541 -17.618 1.00 0.00 H new ATOM 0 HB3 ARG A 387 2.037 15.589 -19.052 1.00 0.00 H new ATOM 0 HG2 ARG A 387 4.701 14.147 -18.798 1.00 0.00 H new ATOM 0 HG3 ARG A 387 3.120 13.393 -18.769 1.00 0.00 H new ATOM 0 HD2 ARG A 387 2.693 14.027 -21.073 1.00 0.00 H new ATOM 0 HD3 ARG A 387 4.134 15.022 -21.124 1.00 0.00 H new ATOM 0 HE ARG A 387 5.100 12.494 -20.478 1.00 0.00 H new ATOM 0 HH11 ARG A 387 3.033 13.792 -23.044 1.00 0.00 H new ATOM 0 HH12 ARG A 387 3.615 12.642 -24.253 1.00 0.00 H new ATOM 0 HH21 ARG A 387 5.882 11.060 -22.036 1.00 0.00 H new ATOM 0 HH22 ARG A 387 5.233 11.091 -23.679 1.00 0.00 H new ATOM 439 N LYS A 388 2.515 18.770 -19.585 1.00 0.00 N ATOM 440 CA LYS A 388 1.933 20.077 -19.283 1.00 0.00 C ATOM 441 C LYS A 388 0.410 20.016 -19.359 1.00 0.00 C ATOM 442 O LYS A 388 -0.290 20.913 -18.874 1.00 0.00 O ATOM 443 CB LYS A 388 2.461 21.143 -20.269 1.00 0.00 C ATOM 444 CG LYS A 388 1.960 21.017 -21.720 1.00 0.00 C ATOM 445 CD LYS A 388 2.596 19.849 -22.450 1.00 0.00 C ATOM 446 CE LYS A 388 2.290 19.904 -23.944 1.00 0.00 C ATOM 447 NZ LYS A 388 2.893 21.100 -24.596 1.00 0.00 N ATOM 0 H LYS A 388 2.393 18.476 -20.554 1.00 0.00 H new ATOM 0 HA LYS A 388 2.225 20.353 -18.270 1.00 0.00 H new ATOM 0 HB2 LYS A 388 2.184 22.128 -19.893 1.00 0.00 H new ATOM 0 HB3 LYS A 388 3.550 21.098 -20.275 1.00 0.00 H new ATOM 0 HG2 LYS A 388 0.877 20.895 -21.719 1.00 0.00 H new ATOM 0 HG3 LYS A 388 2.176 21.940 -22.258 1.00 0.00 H new ATOM 0 HD2 LYS A 388 3.675 19.863 -22.296 1.00 0.00 H new ATOM 0 HD3 LYS A 388 2.227 18.911 -22.034 1.00 0.00 H new ATOM 0 HE2 LYS A 388 2.667 19.001 -24.424 1.00 0.00 H new ATOM 0 HE3 LYS A 388 1.210 19.917 -24.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 2.946 20.946 -25.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 2.305 21.935 -24.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 3.850 21.255 -24.220 1.00 0.00 H new ATOM 461 N ASN A 389 -0.076 18.956 -19.976 1.00 0.00 N ATOM 462 CA ASN A 389 -1.498 18.715 -20.122 1.00 0.00 C ATOM 463 C ASN A 389 -2.148 18.544 -18.772 1.00 0.00 C ATOM 464 O ASN A 389 -1.642 17.803 -17.912 1.00 0.00 O ATOM 465 CB ASN A 389 -1.737 17.469 -21.004 1.00 0.00 C ATOM 466 CG ASN A 389 -1.006 16.247 -20.486 1.00 0.00 C ATOM 467 OD1 ASN A 389 0.152 16.326 -20.050 1.00 0.00 O ATOM 468 ND2 ASN A 389 -1.665 15.103 -20.501 1.00 0.00 N ATOM 0 H ASN A 389 0.510 18.233 -20.393 1.00 0.00 H new ATOM 0 HA ASN A 389 -1.951 19.579 -20.609 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -2.805 17.258 -21.049 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -1.411 17.680 -22.022 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.222 14.255 -20.148 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -2.617 15.068 -20.866 1.00 0.00 H new ATOM 475 N PRO A 390 -3.306 19.199 -18.563 1.00 0.00 N ATOM 476 CA PRO A 390 -4.025 19.145 -17.279 1.00 0.00 C ATOM 477 C PRO A 390 -4.452 17.727 -16.944 1.00 0.00 C ATOM 478 O PRO A 390 -4.656 17.365 -15.782 1.00 0.00 O ATOM 479 CB PRO A 390 -5.237 20.064 -17.496 1.00 0.00 C ATOM 480 CG PRO A 390 -5.416 20.141 -18.974 1.00 0.00 C ATOM 481 CD PRO A 390 -4.034 20.020 -19.562 1.00 0.00 C ATOM 0 HA PRO A 390 -3.408 19.462 -16.438 1.00 0.00 H new ATOM 0 HB2 PRO A 390 -6.127 19.661 -17.013 1.00 0.00 H new ATOM 0 HB3 PRO A 390 -5.062 21.052 -17.069 1.00 0.00 H new ATOM 0 HG2 PRO A 390 -6.064 19.341 -19.331 1.00 0.00 H new ATOM 0 HG3 PRO A 390 -5.883 21.083 -19.263 1.00 0.00 H new ATOM 0 HD2 PRO A 390 -4.054 19.539 -20.540 1.00 0.00 H new ATOM 0 HD3 PRO A 390 -3.568 20.996 -19.697 1.00 0.00 H new ATOM 489 N VAL A 391 -4.560 16.895 -17.979 1.00 0.00 N ATOM 490 CA VAL A 391 -4.929 15.496 -17.800 1.00 0.00 C ATOM 491 C VAL A 391 -3.876 14.777 -16.975 1.00 0.00 C ATOM 492 O VAL A 391 -4.213 13.922 -16.155 1.00 0.00 O ATOM 493 CB VAL A 391 -5.127 14.782 -19.158 1.00 0.00 C ATOM 494 CG1 VAL A 391 -5.329 13.269 -18.973 1.00 0.00 C ATOM 495 CG2 VAL A 391 -6.306 15.405 -19.915 1.00 0.00 C ATOM 0 H VAL A 391 -4.397 17.167 -18.948 1.00 0.00 H new ATOM 0 HA VAL A 391 -5.880 15.467 -17.268 1.00 0.00 H new ATOM 0 HB VAL A 391 -4.222 14.918 -19.749 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -5.465 12.798 -19.947 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.454 12.842 -18.483 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -6.211 13.092 -18.358 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -6.436 14.895 -20.869 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -7.215 15.302 -19.322 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -6.107 16.462 -20.093 1.00 0.00 H new ATOM 505 N HIS A 392 -2.616 15.145 -17.167 1.00 0.00 N ATOM 506 CA HIS A 392 -1.536 14.539 -16.402 1.00 0.00 C ATOM 507 C HIS A 392 -1.723 14.817 -14.900 1.00 0.00 C ATOM 508 O HIS A 392 -1.376 13.998 -14.065 1.00 0.00 O ATOM 509 CB HIS A 392 -0.172 15.059 -16.884 1.00 0.00 C ATOM 510 CG HIS A 392 0.993 14.505 -16.127 1.00 0.00 C ATOM 511 ND1 HIS A 392 1.353 13.171 -16.149 1.00 0.00 N ATOM 512 CD2 HIS A 392 1.843 15.101 -15.242 1.00 0.00 C ATOM 513 CE1 HIS A 392 2.392 13.006 -15.335 1.00 0.00 C ATOM 514 NE2 HIS A 392 2.728 14.146 -14.741 1.00 0.00 N ATOM 0 H HIS A 392 -2.319 15.853 -17.839 1.00 0.00 H new ATOM 0 HA HIS A 392 -1.563 13.461 -16.560 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -0.055 14.816 -17.940 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.160 16.146 -16.804 1.00 0.00 H new ATOM 0 HD2 HIS A 392 1.832 16.147 -14.972 1.00 0.00 H new ATOM 0 HE1 HIS A 392 2.898 12.065 -15.177 1.00 0.00 H new ATOM 0 HE2 HIS A 392 3.475 14.292 -14.062 1.00 0.00 H new ATOM 522 N PHE A 393 -2.332 15.964 -14.588 1.00 0.00 N ATOM 523 CA PHE A 393 -2.549 16.384 -13.215 1.00 0.00 C ATOM 524 C PHE A 393 -3.899 15.883 -12.672 1.00 0.00 C ATOM 525 O PHE A 393 -4.070 15.709 -11.452 1.00 0.00 O ATOM 526 CB PHE A 393 -2.487 17.908 -13.120 1.00 0.00 C ATOM 527 CG PHE A 393 -1.176 18.496 -13.572 1.00 0.00 C ATOM 528 CD1 PHE A 393 -0.883 18.639 -14.929 1.00 0.00 C ATOM 529 CD2 PHE A 393 -0.218 18.909 -12.650 1.00 0.00 C ATOM 530 CE1 PHE A 393 0.328 19.170 -15.341 1.00 0.00 C ATOM 531 CE2 PHE A 393 0.984 19.445 -13.054 1.00 0.00 C ATOM 532 CZ PHE A 393 1.259 19.577 -14.402 1.00 0.00 C ATOM 0 H PHE A 393 -2.685 16.621 -15.284 1.00 0.00 H new ATOM 0 HA PHE A 393 -1.759 15.945 -12.605 1.00 0.00 H new ATOM 0 HB2 PHE A 393 -3.291 18.332 -13.722 1.00 0.00 H new ATOM 0 HB3 PHE A 393 -2.670 18.205 -12.088 1.00 0.00 H new ATOM 0 HD1 PHE A 393 -1.609 18.332 -15.667 1.00 0.00 H new ATOM 0 HD2 PHE A 393 -0.422 18.807 -11.594 1.00 0.00 H new ATOM 0 HE1 PHE A 393 0.545 19.266 -16.395 1.00 0.00 H new ATOM 0 HE2 PHE A 393 1.710 19.761 -12.320 1.00 0.00 H new ATOM 0 HZ PHE A 393 2.201 19.998 -14.722 1.00 0.00 H new ATOM 542 N GLN A 394 -4.838 15.632 -13.569 1.00 0.00 N ATOM 543 CA GLN A 394 -6.203 15.231 -13.169 1.00 0.00 C ATOM 544 C GLN A 394 -6.208 13.803 -12.601 1.00 0.00 C ATOM 545 O GLN A 394 -7.140 13.425 -11.890 1.00 0.00 O ATOM 546 CB GLN A 394 -7.197 15.362 -14.349 1.00 0.00 C ATOM 547 CG GLN A 394 -7.064 14.293 -15.443 1.00 0.00 C ATOM 548 CD GLN A 394 -8.028 13.137 -15.284 1.00 0.00 C ATOM 549 OE1 GLN A 394 -7.709 12.124 -14.663 1.00 0.00 O ATOM 550 NE2 GLN A 394 -9.206 13.274 -15.869 1.00 0.00 N ATOM 0 H GLN A 394 -4.695 15.695 -14.577 1.00 0.00 H new ATOM 0 HA GLN A 394 -6.533 15.910 -12.383 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -8.212 15.328 -13.953 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -7.066 16.343 -14.805 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -7.226 14.759 -16.415 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.044 13.907 -15.440 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -9.428 14.132 -16.374 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -9.893 12.522 -15.815 1.00 0.00 H new ATOM 559 N HIS A 395 -5.184 13.012 -12.912 1.00 0.00 N ATOM 560 CA HIS A 395 -5.078 11.642 -12.390 1.00 0.00 C ATOM 561 C HIS A 395 -3.808 11.443 -11.555 1.00 0.00 C ATOM 562 O HIS A 395 -3.685 10.426 -10.862 1.00 0.00 O ATOM 563 CB HIS A 395 -5.167 10.593 -13.503 1.00 0.00 C ATOM 564 CG HIS A 395 -4.428 10.915 -14.764 1.00 0.00 C ATOM 565 ND1 HIS A 395 -3.106 11.260 -14.803 1.00 0.00 N ATOM 566 CD2 HIS A 395 -4.841 10.893 -16.052 1.00 0.00 C ATOM 567 CE1 HIS A 395 -2.723 11.422 -16.064 1.00 0.00 C ATOM 568 NE2 HIS A 395 -3.765 11.208 -16.836 1.00 0.00 N ATOM 0 H HIS A 395 -4.415 13.291 -13.521 1.00 0.00 H new ATOM 0 HA HIS A 395 -5.935 11.498 -11.731 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -4.790 9.647 -13.115 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.218 10.441 -13.749 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.839 10.668 -16.398 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -1.729 11.684 -16.397 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -3.771 11.267 -17.854 1.00 0.00 H new ATOM 577 N PHE A 396 -2.884 12.391 -11.609 1.00 0.00 N ATOM 578 CA PHE A 396 -1.661 12.318 -10.797 1.00 0.00 C ATOM 579 C PHE A 396 -1.334 13.697 -10.221 1.00 0.00 C ATOM 580 O PHE A 396 -1.224 14.676 -10.957 1.00 0.00 O ATOM 581 CB PHE A 396 -0.477 11.822 -11.656 1.00 0.00 C ATOM 582 CG PHE A 396 -0.492 10.338 -11.945 1.00 0.00 C ATOM 583 CD1 PHE A 396 0.112 9.434 -11.072 1.00 0.00 C ATOM 584 CD2 PHE A 396 -1.106 9.836 -13.088 1.00 0.00 C ATOM 585 CE1 PHE A 396 0.101 8.074 -11.347 1.00 0.00 C ATOM 586 CE2 PHE A 396 -1.130 8.482 -13.349 1.00 0.00 C ATOM 587 CZ PHE A 396 -0.523 7.597 -12.476 1.00 0.00 C ATOM 0 H PHE A 396 -2.950 13.219 -12.201 1.00 0.00 H new ATOM 0 HA PHE A 396 -1.826 11.615 -9.980 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -0.478 12.364 -12.602 1.00 0.00 H new ATOM 0 HB3 PHE A 396 0.454 12.071 -11.147 1.00 0.00 H new ATOM 0 HD1 PHE A 396 0.592 9.795 -10.175 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -1.572 10.519 -13.783 1.00 0.00 H new ATOM 0 HE1 PHE A 396 0.585 7.386 -10.670 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -1.623 8.112 -14.236 1.00 0.00 H new ATOM 0 HZ PHE A 396 -0.539 6.537 -12.680 1.00 0.00 H new ATOM 597 N SER A 397 -1.162 13.752 -8.900 1.00 0.00 N ATOM 598 CA SER A 397 -0.780 14.986 -8.233 1.00 0.00 C ATOM 599 C SER A 397 0.718 15.159 -8.214 1.00 0.00 C ATOM 600 O SER A 397 1.461 14.208 -8.412 1.00 0.00 O ATOM 601 CB SER A 397 -1.337 14.994 -6.809 1.00 0.00 C ATOM 602 OG SER A 397 -2.753 15.105 -6.807 1.00 0.00 O ATOM 0 H SER A 397 -1.282 12.954 -8.276 1.00 0.00 H new ATOM 0 HA SER A 397 -1.201 15.823 -8.790 1.00 0.00 H new ATOM 0 HB2 SER A 397 -1.042 14.079 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 397 -0.905 15.825 -6.252 1.00 0.00 H new ATOM 0 HG SER A 397 -3.007 16.050 -6.751 1.00 0.00 H new ATOM 608 N HIS A 398 1.151 16.402 -8.001 1.00 0.00 N ATOM 609 CA HIS A 398 2.566 16.776 -8.092 1.00 0.00 C ATOM 610 C HIS A 398 2.987 17.503 -6.821 1.00 0.00 C ATOM 611 O HIS A 398 2.136 17.914 -6.035 1.00 0.00 O ATOM 612 CB HIS A 398 2.759 17.643 -9.344 1.00 0.00 C ATOM 613 CG HIS A 398 2.537 16.890 -10.621 1.00 0.00 C ATOM 614 ND1 HIS A 398 1.331 16.330 -10.972 1.00 0.00 N ATOM 615 CD2 HIS A 398 3.413 16.528 -11.598 1.00 0.00 C ATOM 616 CE1 HIS A 398 1.499 15.659 -12.118 1.00 0.00 C ATOM 617 NE2 HIS A 398 2.761 15.752 -12.541 1.00 0.00 N ATOM 0 H HIS A 398 0.534 17.178 -7.761 1.00 0.00 H new ATOM 0 HA HIS A 398 3.198 15.893 -8.183 1.00 0.00 H new ATOM 0 HB2 HIS A 398 2.071 18.488 -9.303 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.769 18.054 -9.342 1.00 0.00 H new ATOM 0 HD2 HIS A 398 4.457 16.804 -11.632 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.719 15.116 -12.631 1.00 0.00 H new ATOM 0 HE2 HIS A 398 3.161 15.338 -13.383 1.00 0.00 H new ATOM 625 N PRO A 399 4.303 17.664 -6.588 1.00 0.00 N ATOM 626 CA PRO A 399 4.846 18.332 -5.375 1.00 0.00 C ATOM 627 C PRO A 399 4.292 19.754 -5.135 1.00 0.00 C ATOM 628 O PRO A 399 4.631 20.397 -4.143 1.00 0.00 O ATOM 629 CB PRO A 399 6.364 18.375 -5.642 1.00 0.00 C ATOM 630 CG PRO A 399 6.611 17.260 -6.595 1.00 0.00 C ATOM 631 CD PRO A 399 5.386 17.172 -7.461 1.00 0.00 C ATOM 0 HA PRO A 399 4.563 17.791 -4.472 1.00 0.00 H new ATOM 0 HB2 PRO A 399 6.664 19.333 -6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 399 6.932 18.242 -4.721 1.00 0.00 H new ATOM 0 HG2 PRO A 399 7.500 17.451 -7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 399 6.781 16.324 -6.064 1.00 0.00 H new ATOM 0 HD2 PRO A 399 5.485 17.783 -8.358 1.00 0.00 H new ATOM 0 HD3 PRO A 399 5.201 16.149 -7.790 1.00 0.00 H new ATOM 639 N GLY A 400 3.453 20.229 -6.048 1.00 0.00 N ATOM 640 CA GLY A 400 2.845 21.546 -5.925 1.00 0.00 C ATOM 641 C GLY A 400 1.329 21.468 -5.857 1.00 0.00 C ATOM 642 O GLY A 400 0.633 22.477 -5.969 1.00 0.00 O ATOM 0 H GLY A 400 3.178 19.717 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 400 3.223 22.038 -5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.139 22.162 -6.775 1.00 0.00 H new ATOM 646 N ASP A 401 0.832 20.256 -5.646 1.00 0.00 N ATOM 647 CA ASP A 401 -0.607 19.990 -5.578 1.00 0.00 C ATOM 648 C ASP A 401 -0.943 19.362 -4.224 1.00 0.00 C ATOM 649 O ASP A 401 -0.277 18.420 -3.787 1.00 0.00 O ATOM 650 CB ASP A 401 -1.025 19.034 -6.713 1.00 0.00 C ATOM 651 CG ASP A 401 -2.536 18.843 -6.793 1.00 0.00 C ATOM 652 OD1 ASP A 401 -3.201 19.640 -7.500 1.00 0.00 O ATOM 653 OD2 ASP A 401 -3.073 17.920 -6.147 1.00 0.00 O ATOM 0 H ASP A 401 1.412 19.427 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.150 20.928 -5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.661 19.424 -7.664 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -0.548 18.066 -6.562 1.00 0.00 H new ATOM 658 N SER A 402 -1.961 19.889 -3.547 1.00 0.00 N ATOM 659 CA SER A 402 -2.248 19.525 -2.165 1.00 0.00 C ATOM 660 C SER A 402 -2.599 18.045 -2.021 1.00 0.00 C ATOM 661 O SER A 402 -2.488 17.476 -0.943 1.00 0.00 O ATOM 662 CB SER A 402 -3.390 20.386 -1.628 1.00 0.00 C ATOM 663 OG SER A 402 -3.582 20.163 -0.241 1.00 0.00 O ATOM 0 H SER A 402 -2.605 20.576 -3.939 1.00 0.00 H new ATOM 0 HA SER A 402 -1.344 19.705 -1.583 1.00 0.00 H new ATOM 0 HB2 SER A 402 -3.171 21.439 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 402 -4.309 20.157 -2.168 1.00 0.00 H new ATOM 0 HG SER A 402 -4.317 20.725 0.082 1.00 0.00 H new ATOM 669 N ASP A 403 -3.012 17.404 -3.121 1.00 0.00 N ATOM 670 CA ASP A 403 -3.423 16.004 -3.083 1.00 0.00 C ATOM 671 C ASP A 403 -2.207 15.073 -3.146 1.00 0.00 C ATOM 672 O ASP A 403 -2.319 13.859 -2.975 1.00 0.00 O ATOM 673 CB ASP A 403 -4.408 15.689 -4.226 1.00 0.00 C ATOM 674 CG ASP A 403 -5.754 16.388 -4.059 1.00 0.00 C ATOM 675 OD1 ASP A 403 -5.845 17.604 -4.332 1.00 0.00 O ATOM 676 OD2 ASP A 403 -6.729 15.724 -3.650 1.00 0.00 O ATOM 0 H ASP A 403 -3.069 17.835 -4.044 1.00 0.00 H new ATOM 0 HA ASP A 403 -3.934 15.831 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -3.964 15.989 -5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -4.567 14.612 -4.275 1.00 0.00 H new ATOM 681 N TYR A 404 -1.040 15.657 -3.377 1.00 0.00 N ATOM 682 CA TYR A 404 0.205 14.900 -3.378 1.00 0.00 C ATOM 683 C TYR A 404 0.544 14.476 -1.962 1.00 0.00 C ATOM 684 O TYR A 404 0.560 15.301 -1.049 1.00 0.00 O ATOM 685 CB TYR A 404 1.335 15.774 -3.949 1.00 0.00 C ATOM 686 CG TYR A 404 2.596 15.009 -4.288 1.00 0.00 C ATOM 687 CD1 TYR A 404 2.760 14.459 -5.546 1.00 0.00 C ATOM 688 CD2 TYR A 404 3.623 14.853 -3.381 1.00 0.00 C ATOM 689 CE1 TYR A 404 3.905 13.781 -5.898 1.00 0.00 C ATOM 690 CE2 TYR A 404 4.780 14.173 -3.718 1.00 0.00 C ATOM 691 CZ TYR A 404 4.918 13.643 -4.974 1.00 0.00 C ATOM 692 OH TYR A 404 6.069 12.969 -5.316 1.00 0.00 O ATOM 0 H TYR A 404 -0.928 16.653 -3.566 1.00 0.00 H new ATOM 0 HA TYR A 404 0.091 14.011 -3.998 1.00 0.00 H new ATOM 0 HB2 TYR A 404 0.974 16.275 -4.847 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.578 16.553 -3.226 1.00 0.00 H new ATOM 0 HD1 TYR A 404 1.968 14.564 -6.272 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.522 15.269 -2.390 1.00 0.00 H new ATOM 0 HE1 TYR A 404 4.008 13.362 -6.888 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.572 14.060 -2.993 1.00 0.00 H new ATOM 0 HH TYR A 404 6.683 12.962 -4.552 1.00 0.00 H new ATOM 849 N ASP A 416 17.203 3.533 -4.315 1.00 0.00 N ATOM 850 CA ASP A 416 17.265 2.587 -3.204 1.00 0.00 C ATOM 851 C ASP A 416 17.129 3.308 -1.860 1.00 0.00 C ATOM 852 O ASP A 416 16.739 2.702 -0.858 1.00 0.00 O ATOM 853 CB ASP A 416 18.595 1.804 -3.269 1.00 0.00 C ATOM 854 CG ASP A 416 18.655 0.667 -2.270 1.00 0.00 C ATOM 855 OD1 ASP A 416 18.200 -0.452 -2.598 1.00 0.00 O ATOM 856 OD2 ASP A 416 19.162 0.862 -1.158 1.00 0.00 O ATOM 0 HA ASP A 416 16.432 1.889 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 416 18.728 1.406 -4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 416 19.424 2.488 -3.085 1.00 0.00 H new ATOM 861 N ASP A 417 17.463 4.604 -1.865 1.00 0.00 N ATOM 862 CA ASP A 417 17.312 5.479 -0.700 1.00 0.00 C ATOM 863 C ASP A 417 18.433 5.264 0.324 1.00 0.00 C ATOM 864 O ASP A 417 18.253 4.571 1.340 1.00 0.00 O ATOM 865 CB ASP A 417 15.932 5.339 -0.048 1.00 0.00 C ATOM 866 CG ASP A 417 15.811 6.053 1.296 1.00 0.00 C ATOM 867 OD1 ASP A 417 16.372 7.167 1.439 1.00 0.00 O ATOM 868 OD2 ASP A 417 15.180 5.495 2.215 1.00 0.00 O ATOM 0 H ASP A 417 17.848 5.076 -2.683 1.00 0.00 H new ATOM 0 HA ASP A 417 17.394 6.502 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 417 15.177 5.734 -0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 417 15.712 4.281 0.092 1.00 0.00 H new ATOM 873 N ARG A 418 19.585 5.853 0.026 1.00 0.00 N ATOM 874 CA ARG A 418 20.741 5.892 0.917 1.00 0.00 C ATOM 875 C ARG A 418 21.854 6.684 0.245 1.00 0.00 C ATOM 876 O ARG A 418 21.861 6.826 -0.975 1.00 0.00 O ATOM 877 CB ARG A 418 21.226 4.470 1.265 1.00 0.00 C ATOM 878 CG ARG A 418 21.252 3.522 0.071 1.00 0.00 C ATOM 879 CD ARG A 418 21.856 2.177 0.432 1.00 0.00 C ATOM 880 NE ARG A 418 21.831 1.272 -0.718 1.00 0.00 N ATOM 881 CZ ARG A 418 22.766 0.376 -0.999 1.00 0.00 C ATOM 882 NH1 ARG A 418 23.794 0.211 -0.174 1.00 0.00 N ATOM 883 NH2 ARG A 418 22.666 -0.336 -2.108 1.00 0.00 N ATOM 0 H ARG A 418 19.746 6.328 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 418 20.454 6.376 1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 418 22.227 4.531 1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 418 20.577 4.053 2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 418 20.237 3.377 -0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 418 21.826 3.973 -0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 418 22.883 2.313 0.771 1.00 0.00 H new ATOM 0 HD3 ARG A 418 21.303 1.735 1.261 1.00 0.00 H new ATOM 0 HE ARG A 418 21.034 1.336 -1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 418 23.863 0.773 0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 418 24.515 -0.478 -0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 418 21.876 -0.193 -2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 418 23.379 -1.029 -2.335 1.00 0.00 H new ATOM 897 N PRO A 419 22.806 7.240 1.030 1.00 0.00 N ATOM 898 CA PRO A 419 23.894 8.063 0.482 1.00 0.00 C ATOM 899 C PRO A 419 24.794 7.247 -0.454 1.00 0.00 C ATOM 900 O PRO A 419 24.973 6.035 -0.276 1.00 0.00 O ATOM 901 CB PRO A 419 24.668 8.528 1.726 1.00 0.00 C ATOM 902 CG PRO A 419 24.298 7.582 2.807 1.00 0.00 C ATOM 903 CD PRO A 419 22.896 7.131 2.509 1.00 0.00 C ATOM 0 HA PRO A 419 23.525 8.894 -0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 419 25.743 8.515 1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 419 24.402 9.551 1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 419 24.982 6.734 2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 419 24.352 8.065 3.782 1.00 0.00 H new ATOM 0 HD2 PRO A 419 22.722 6.110 2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 419 22.157 7.761 3.004 1.00 0.00 H new ATOM 911 N GLU A 420 25.328 7.909 -1.479 1.00 0.00 N ATOM 912 CA GLU A 420 26.270 7.270 -2.384 1.00 0.00 C ATOM 913 C GLU A 420 27.616 7.107 -1.685 1.00 0.00 C ATOM 914 O GLU A 420 27.917 7.818 -0.722 1.00 0.00 O ATOM 915 CB GLU A 420 26.461 8.109 -3.664 1.00 0.00 C ATOM 916 CG GLU A 420 25.184 8.297 -4.474 1.00 0.00 C ATOM 917 CD GLU A 420 25.422 9.113 -5.732 1.00 0.00 C ATOM 918 OE1 GLU A 420 25.441 10.358 -5.635 1.00 0.00 O ATOM 919 OE2 GLU A 420 25.591 8.519 -6.822 1.00 0.00 O ATOM 0 H GLU A 420 25.123 8.884 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 420 25.871 6.295 -2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 420 26.853 9.088 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 420 27.211 7.630 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 420 24.780 7.322 -4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 420 24.434 8.792 -3.858 1.00 0.00 H new ATOM 926 N CYS A 421 28.419 6.192 -2.193 1.00 0.00 N ATOM 927 CA CYS A 421 29.729 5.911 -1.613 1.00 0.00 C ATOM 928 C CYS A 421 30.621 7.151 -1.745 1.00 0.00 C ATOM 929 O CYS A 421 30.691 7.727 -2.826 1.00 0.00 O ATOM 930 CB CYS A 421 30.348 4.706 -2.308 1.00 0.00 C ATOM 931 SG CYS A 421 31.711 3.889 -1.400 1.00 0.00 S ATOM 0 H CYS A 421 28.191 5.625 -3.010 1.00 0.00 H new ATOM 0 HA CYS A 421 29.626 5.675 -0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 421 29.564 3.971 -2.490 1.00 0.00 H new ATOM 0 HB3 CYS A 421 30.721 5.022 -3.282 1.00 0.00 H new ATOM 0 HG CYS A 421 31.249 2.856 -0.761 1.00 0.00 H new ATOM 936 N PRO A 422 31.311 7.573 -0.660 1.00 0.00 N ATOM 937 CA PRO A 422 32.151 8.777 -0.682 1.00 0.00 C ATOM 938 C PRO A 422 33.330 8.644 -1.650 1.00 0.00 C ATOM 939 O PRO A 422 34.001 9.625 -1.972 1.00 0.00 O ATOM 940 CB PRO A 422 32.630 8.917 0.764 1.00 0.00 C ATOM 941 CG PRO A 422 32.479 7.545 1.354 1.00 0.00 C ATOM 942 CD PRO A 422 31.311 6.920 0.662 1.00 0.00 C ATOM 0 HA PRO A 422 31.603 9.651 -1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 422 33.666 9.254 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 422 32.034 9.649 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 422 33.383 6.955 1.203 1.00 0.00 H new ATOM 0 HG3 PRO A 422 32.311 7.600 2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 422 31.425 5.839 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 422 30.381 7.101 1.200 1.00 0.00 H new ATOM 950 N TYR A 423 33.577 7.426 -2.128 1.00 0.00 N ATOM 951 CA TYR A 423 34.638 7.148 -3.097 1.00 0.00 C ATOM 952 C TYR A 423 34.047 6.877 -4.485 1.00 0.00 C ATOM 953 O TYR A 423 34.747 6.424 -5.400 1.00 0.00 O ATOM 954 CB TYR A 423 35.464 5.937 -2.656 1.00 0.00 C ATOM 955 CG TYR A 423 35.968 5.996 -1.235 1.00 0.00 C ATOM 956 CD1 TYR A 423 35.186 5.548 -0.183 1.00 0.00 C ATOM 957 CD2 TYR A 423 37.234 6.502 -0.927 1.00 0.00 C ATOM 958 CE1 TYR A 423 35.629 5.590 1.129 1.00 0.00 C ATOM 959 CE2 TYR A 423 37.687 6.551 0.374 1.00 0.00 C ATOM 960 CZ TYR A 423 36.894 6.095 1.396 1.00 0.00 C ATOM 961 OH TYR A 423 37.339 6.140 2.689 1.00 0.00 O ATOM 0 H TYR A 423 33.045 6.600 -1.854 1.00 0.00 H new ATOM 0 HA TYR A 423 35.282 8.026 -3.147 1.00 0.00 H new ATOM 0 HB2 TYR A 423 34.857 5.039 -2.774 1.00 0.00 H new ATOM 0 HB3 TYR A 423 36.318 5.835 -3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 423 34.202 5.154 -0.392 1.00 0.00 H new ATOM 0 HD2 TYR A 423 37.869 6.861 -1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 423 35.000 5.235 1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 423 38.668 6.949 0.589 1.00 0.00 H new ATOM 0 HH TYR A 423 38.243 6.518 2.711 1.00 0.00 H new ATOM 971 N GLY A 424 32.751 7.179 -4.620 1.00 0.00 N ATOM 972 CA GLY A 424 32.018 6.879 -5.851 1.00 0.00 C ATOM 973 C GLY A 424 32.076 5.414 -6.220 1.00 0.00 C ATOM 974 O GLY A 424 32.233 4.562 -5.338 1.00 0.00 O ATOM 0 H GLY A 424 32.192 7.629 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 424 30.977 7.179 -5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 424 32.429 7.472 -6.668 1.00 0.00 H new ATOM 978 N PRO A 425 31.952 5.073 -7.521 1.00 0.00 N ATOM 979 CA PRO A 425 32.071 3.687 -7.983 1.00 0.00 C ATOM 980 C PRO A 425 33.539 3.244 -8.005 1.00 0.00 C ATOM 981 O PRO A 425 33.832 2.069 -8.186 1.00 0.00 O ATOM 982 CB PRO A 425 31.466 3.735 -9.381 1.00 0.00 C ATOM 983 CG PRO A 425 31.722 5.128 -9.851 1.00 0.00 C ATOM 984 CD PRO A 425 31.671 6.004 -8.632 1.00 0.00 C ATOM 0 HA PRO A 425 31.569 2.966 -7.337 1.00 0.00 H new ATOM 0 HB2 PRO A 425 31.931 3.002 -10.040 1.00 0.00 H new ATOM 0 HB3 PRO A 425 30.399 3.513 -9.360 1.00 0.00 H new ATOM 0 HG2 PRO A 425 32.693 5.200 -10.341 1.00 0.00 H new ATOM 0 HG3 PRO A 425 30.973 5.435 -10.581 1.00 0.00 H new ATOM 0 HD2 PRO A 425 32.411 6.803 -8.682 1.00 0.00 H new ATOM 0 HD3 PRO A 425 30.696 6.478 -8.520 1.00 0.00 H new ATOM 992 N SER A 426 34.450 4.205 -7.816 1.00 0.00 N ATOM 993 CA SER A 426 35.875 3.905 -7.676 1.00 0.00 C ATOM 994 C SER A 426 36.127 3.217 -6.327 1.00 0.00 C ATOM 995 O SER A 426 37.193 2.643 -6.094 1.00 0.00 O ATOM 996 CB SER A 426 36.698 5.194 -7.804 1.00 0.00 C ATOM 997 OG SER A 426 38.106 4.918 -7.728 1.00 0.00 O ATOM 0 H SER A 426 34.223 5.198 -7.757 1.00 0.00 H new ATOM 0 HA SER A 426 36.186 3.227 -8.471 1.00 0.00 H new ATOM 0 HB2 SER A 426 36.470 5.682 -8.752 1.00 0.00 H new ATOM 0 HB3 SER A 426 36.417 5.889 -7.012 1.00 0.00 H new ATOM 0 HG SER A 426 38.248 4.064 -7.269 1.00 0.00 H new ATOM 1003 N CYS A 427 35.132 3.303 -5.447 1.00 0.00 N ATOM 1004 CA CYS A 427 35.176 2.674 -4.140 1.00 0.00 C ATOM 1005 C CYS A 427 35.520 1.190 -4.254 1.00 0.00 C ATOM 1006 O CYS A 427 34.774 0.421 -4.845 1.00 0.00 O ATOM 1007 CB CYS A 427 33.826 2.854 -3.450 1.00 0.00 C ATOM 1008 SG CYS A 427 33.713 2.135 -1.786 1.00 0.00 S ATOM 0 H CYS A 427 34.269 3.816 -5.627 1.00 0.00 H new ATOM 0 HA CYS A 427 35.957 3.150 -3.547 1.00 0.00 H new ATOM 0 HB2 CYS A 427 33.608 3.920 -3.385 1.00 0.00 H new ATOM 0 HB3 CYS A 427 33.053 2.408 -4.076 1.00 0.00 H new ATOM 0 HG CYS A 427 32.756 2.717 -1.126 1.00 0.00 H new ATOM 1013 N TYR A 428 36.648 0.799 -3.679 1.00 0.00 N ATOM 1014 CA TYR A 428 37.059 -0.601 -3.652 1.00 0.00 C ATOM 1015 C TYR A 428 37.103 -1.083 -2.206 1.00 0.00 C ATOM 1016 O TYR A 428 37.726 -2.093 -1.894 1.00 0.00 O ATOM 1017 CB TYR A 428 38.437 -0.747 -4.321 1.00 0.00 C ATOM 1018 CG TYR A 428 39.484 0.225 -3.802 1.00 0.00 C ATOM 1019 CD1 TYR A 428 39.609 1.503 -4.340 1.00 0.00 C ATOM 1020 CD2 TYR A 428 40.361 -0.133 -2.769 1.00 0.00 C ATOM 1021 CE1 TYR A 428 40.560 2.389 -3.881 1.00 0.00 C ATOM 1022 CE2 TYR A 428 41.318 0.750 -2.302 1.00 0.00 C ATOM 1023 CZ TYR A 428 41.415 2.008 -2.862 1.00 0.00 C ATOM 1024 OH TYR A 428 42.364 2.885 -2.411 1.00 0.00 O ATOM 0 H TYR A 428 37.301 1.435 -3.221 1.00 0.00 H new ATOM 0 HA TYR A 428 36.344 -1.211 -4.203 1.00 0.00 H new ATOM 0 HB2 TYR A 428 38.796 -1.765 -4.171 1.00 0.00 H new ATOM 0 HB3 TYR A 428 38.324 -0.604 -5.396 1.00 0.00 H new ATOM 0 HD1 TYR A 428 38.945 1.807 -5.136 1.00 0.00 H new ATOM 0 HD2 TYR A 428 40.288 -1.117 -2.329 1.00 0.00 H new ATOM 0 HE1 TYR A 428 40.637 3.375 -4.314 1.00 0.00 H new ATOM 0 HE2 TYR A 428 41.985 0.457 -1.505 1.00 0.00 H new ATOM 0 HH TYR A 428 42.882 2.465 -1.693 1.00 0.00 H new ATOM 1034 N ARG A 429 36.408 -0.357 -1.335 1.00 0.00 N ATOM 1035 CA ARG A 429 36.354 -0.667 0.079 1.00 0.00 C ATOM 1036 C ARG A 429 35.687 -2.006 0.313 1.00 0.00 C ATOM 1037 O ARG A 429 34.456 -2.123 0.204 1.00 0.00 O ATOM 1038 CB ARG A 429 35.616 0.444 0.840 1.00 0.00 C ATOM 1039 CG ARG A 429 36.234 1.826 0.695 1.00 0.00 C ATOM 1040 CD ARG A 429 37.488 1.997 1.541 1.00 0.00 C ATOM 1041 NE ARG A 429 38.557 1.050 1.203 1.00 0.00 N ATOM 1042 CZ ARG A 429 39.671 0.894 1.931 1.00 0.00 C ATOM 1043 NH1 ARG A 429 39.875 1.647 2.994 1.00 0.00 N ATOM 1044 NH2 ARG A 429 40.577 -0.007 1.589 1.00 0.00 N ATOM 0 H ARG A 429 35.866 0.466 -1.598 1.00 0.00 H new ATOM 0 HA ARG A 429 37.375 -0.728 0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 429 34.584 0.483 0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 429 35.585 0.183 1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 429 36.480 2.002 -0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 429 35.501 2.580 0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 429 37.862 3.013 1.420 1.00 0.00 H new ATOM 0 HD3 ARG A 429 37.226 1.877 2.592 1.00 0.00 H new ATOM 0 HE ARG A 429 38.446 0.478 0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 429 39.185 2.348 3.262 1.00 0.00 H new ATOM 0 HH12 ARG A 429 40.723 1.528 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 429 40.431 -0.590 0.765 1.00 0.00 H new ATOM 0 HH22 ARG A 429 41.422 -0.119 2.149 1.00 0.00 H new ATOM 1058 N LYS A 430 36.499 -3.011 0.592 1.00 0.00 N ATOM 1059 CA LYS A 430 36.033 -4.372 0.787 1.00 0.00 C ATOM 1060 C LYS A 430 35.418 -4.511 2.178 1.00 0.00 C ATOM 1061 O LYS A 430 36.134 -4.508 3.178 1.00 0.00 O ATOM 1062 CB LYS A 430 37.211 -5.365 0.596 1.00 0.00 C ATOM 1063 CG LYS A 430 36.798 -6.809 0.350 1.00 0.00 C ATOM 1064 CD LYS A 430 36.342 -7.509 1.623 1.00 0.00 C ATOM 1065 CE LYS A 430 36.015 -8.970 1.351 1.00 0.00 C ATOM 1066 NZ LYS A 430 37.221 -9.754 1.007 1.00 0.00 N ATOM 0 H LYS A 430 37.509 -2.904 0.690 1.00 0.00 H new ATOM 0 HA LYS A 430 35.267 -4.606 0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 430 37.819 -5.028 -0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 430 37.844 -5.329 1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 430 35.992 -6.833 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 430 37.637 -7.355 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 430 37.124 -7.442 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 430 35.464 -7.004 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 430 35.539 -9.404 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 430 35.296 -9.034 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 37.002 -10.769 1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 37.525 -9.517 0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 37.985 -9.528 1.676 1.00 0.00 H new ATOM 1080 N ASN A 431 34.095 -4.582 2.228 1.00 0.00 N ATOM 1081 CA ASN A 431 33.361 -4.754 3.476 1.00 0.00 C ATOM 1082 C ASN A 431 31.876 -4.838 3.194 1.00 0.00 C ATOM 1083 O ASN A 431 31.319 -3.941 2.537 1.00 0.00 O ATOM 1084 CB ASN A 431 33.613 -3.601 4.446 1.00 0.00 C ATOM 1085 CG ASN A 431 33.020 -3.849 5.820 1.00 0.00 C ATOM 1086 OD1 ASN A 431 33.095 -4.960 6.346 1.00 0.00 O ATOM 1087 ND2 ASN A 431 32.384 -2.855 6.384 1.00 0.00 N ATOM 0 H ASN A 431 33.498 -4.522 1.403 1.00 0.00 H new ATOM 0 HA ASN A 431 33.714 -5.677 3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 431 34.687 -3.441 4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 431 33.190 -2.685 4.033 1.00 0.00 H new ATOM 0 HD21 ASN A 431 31.930 -2.987 7.288 1.00 0.00 H new ATOM 0 HD22 ASN A 431 32.342 -1.948 5.920 1.00 0.00 H new ATOM 1094 N PRO A 432 31.180 -5.872 3.690 1.00 0.00 N ATOM 1095 CA PRO A 432 29.753 -6.056 3.468 1.00 0.00 C ATOM 1096 C PRO A 432 28.949 -4.872 3.982 1.00 0.00 C ATOM 1097 O PRO A 432 28.083 -4.340 3.281 1.00 0.00 O ATOM 1098 CB PRO A 432 29.410 -7.337 4.242 1.00 0.00 C ATOM 1099 CG PRO A 432 30.530 -7.519 5.215 1.00 0.00 C ATOM 1100 CD PRO A 432 31.753 -6.946 4.532 1.00 0.00 C ATOM 0 HA PRO A 432 29.510 -6.131 2.408 1.00 0.00 H new ATOM 0 HB2 PRO A 432 28.453 -7.242 4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 432 29.328 -8.192 3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 432 30.324 -7.001 6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 432 30.673 -8.572 5.457 1.00 0.00 H new ATOM 0 HD2 PRO A 432 32.473 -6.556 5.251 1.00 0.00 H new ATOM 0 HD3 PRO A 432 32.272 -7.696 3.935 1.00 0.00 H new ATOM 1108 N GLN A 433 29.287 -4.405 5.183 1.00 0.00 N ATOM 1109 CA GLN A 433 28.567 -3.314 5.825 1.00 0.00 C ATOM 1110 C GLN A 433 28.618 -2.058 4.956 1.00 0.00 C ATOM 1111 O GLN A 433 27.649 -1.283 4.895 1.00 0.00 O ATOM 1112 CB GLN A 433 29.183 -3.037 7.203 1.00 0.00 C ATOM 1113 CG GLN A 433 28.503 -1.925 7.980 1.00 0.00 C ATOM 1114 CD GLN A 433 27.043 -2.242 8.306 1.00 0.00 C ATOM 1115 OE1 GLN A 433 26.750 -2.809 9.354 1.00 0.00 O ATOM 1116 NE2 GLN A 433 26.137 -1.872 7.425 1.00 0.00 N ATOM 0 H GLN A 433 30.064 -4.772 5.733 1.00 0.00 H new ATOM 0 HA GLN A 433 27.522 -3.599 5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 433 29.147 -3.952 7.794 1.00 0.00 H new ATOM 0 HB3 GLN A 433 30.235 -2.783 7.073 1.00 0.00 H new ATOM 0 HG2 GLN A 433 29.048 -1.749 8.907 1.00 0.00 H new ATOM 0 HG3 GLN A 433 28.550 -1.002 7.402 1.00 0.00 H new ATOM 0 HE21 GLN A 433 26.423 -1.403 6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 433 25.149 -2.055 7.602 1.00 0.00 H new ATOM 1125 N HIS A 434 29.735 -1.877 4.259 1.00 0.00 N ATOM 1126 CA HIS A 434 29.946 -0.700 3.426 1.00 0.00 C ATOM 1127 C HIS A 434 28.917 -0.647 2.290 1.00 0.00 C ATOM 1128 O HIS A 434 28.130 0.301 2.203 1.00 0.00 O ATOM 1129 CB HIS A 434 31.363 -0.689 2.878 1.00 0.00 C ATOM 1130 CG HIS A 434 31.592 0.422 1.915 1.00 0.00 C ATOM 1131 ND1 HIS A 434 31.402 1.744 2.226 1.00 0.00 N ATOM 1132 CD2 HIS A 434 31.889 0.405 0.587 1.00 0.00 C ATOM 1133 CE1 HIS A 434 31.580 2.455 1.131 1.00 0.00 C ATOM 1134 NE2 HIS A 434 31.878 1.701 0.091 1.00 0.00 N ATOM 0 H HIS A 434 30.513 -2.536 4.256 1.00 0.00 H new ATOM 0 HA HIS A 434 29.810 0.189 4.041 1.00 0.00 H new ATOM 0 HB2 HIS A 434 32.068 -0.601 3.704 1.00 0.00 H new ATOM 0 HB3 HIS A 434 31.566 -1.640 2.386 1.00 0.00 H new ATOM 0 HD1 HIS A 434 31.164 2.113 3.146 1.00 0.00 H new ATOM 0 HD2 HIS A 434 32.101 -0.482 0.008 1.00 0.00 H new ATOM 0 HE1 HIS A 434 31.492 3.531 1.090 1.00 0.00 H new ATOM 1142 N LYS A 435 28.950 -1.649 1.424 1.00 0.00 N ATOM 1143 CA LYS A 435 28.020 -1.750 0.306 1.00 0.00 C ATOM 1144 C LYS A 435 26.559 -1.829 0.769 1.00 0.00 C ATOM 1145 O LYS A 435 25.640 -1.671 -0.029 1.00 0.00 O ATOM 1146 CB LYS A 435 28.347 -2.949 -0.591 1.00 0.00 C ATOM 1147 CG LYS A 435 29.704 -2.874 -1.286 1.00 0.00 C ATOM 1148 CD LYS A 435 30.803 -3.563 -0.473 1.00 0.00 C ATOM 1149 CE LYS A 435 30.545 -5.060 -0.321 1.00 0.00 C ATOM 1150 NZ LYS A 435 30.564 -5.769 -1.624 1.00 0.00 N ATOM 0 H LYS A 435 29.621 -2.415 1.475 1.00 0.00 H new ATOM 0 HA LYS A 435 28.141 -0.834 -0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 435 28.312 -3.857 0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 435 27.570 -3.040 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 435 29.634 -3.340 -2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 435 29.972 -1.830 -1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 435 31.766 -3.408 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 435 30.867 -3.104 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 435 31.300 -5.492 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 435 29.579 -5.213 0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 30.554 -6.796 -1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 29.727 -5.499 -2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 31.424 -5.510 -2.148 1.00 0.00 H new ATOM 1164 N ILE A 436 26.380 -2.112 2.052 1.00 0.00 N ATOM 1165 CA ILE A 436 25.042 -2.112 2.654 1.00 0.00 C ATOM 1166 C ILE A 436 24.550 -0.685 2.884 1.00 0.00 C ATOM 1167 O ILE A 436 23.419 -0.326 2.517 1.00 0.00 O ATOM 1168 CB ILE A 436 25.018 -2.911 3.988 1.00 0.00 C ATOM 1169 CG1 ILE A 436 25.141 -4.419 3.715 1.00 0.00 C ATOM 1170 CG2 ILE A 436 23.739 -2.619 4.778 1.00 0.00 C ATOM 1171 CD1 ILE A 436 25.215 -5.270 4.974 1.00 0.00 C ATOM 0 H ILE A 436 27.135 -2.344 2.697 1.00 0.00 H new ATOM 0 HA ILE A 436 24.369 -2.605 1.953 1.00 0.00 H new ATOM 0 HB ILE A 436 25.871 -2.592 4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 436 24.286 -4.741 3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 436 26.033 -4.598 3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 436 23.747 -3.190 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 436 23.688 -1.555 5.007 1.00 0.00 H new ATOM 0 HG23 ILE A 436 22.871 -2.905 4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 436 25.300 -6.321 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 436 26.086 -4.977 5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 436 24.312 -5.123 5.566 1.00 0.00 H new ATOM 1183 N GLU A 437 25.400 0.156 3.460 1.00 0.00 N ATOM 1184 CA GLU A 437 25.019 1.520 3.811 1.00 0.00 C ATOM 1185 C GLU A 437 25.024 2.450 2.602 1.00 0.00 C ATOM 1186 O GLU A 437 24.100 3.249 2.413 1.00 0.00 O ATOM 1187 CB GLU A 437 25.979 2.074 4.871 1.00 0.00 C ATOM 1188 CG GLU A 437 26.087 1.221 6.127 1.00 0.00 C ATOM 1189 CD GLU A 437 24.790 1.184 6.934 1.00 0.00 C ATOM 1190 OE1 GLU A 437 24.601 2.060 7.800 1.00 0.00 O ATOM 1191 OE2 GLU A 437 23.959 0.276 6.725 1.00 0.00 O ATOM 0 H GLU A 437 26.363 -0.084 3.695 1.00 0.00 H new ATOM 0 HA GLU A 437 24.002 1.479 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 437 26.970 2.175 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 437 25.652 3.075 5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 437 26.364 0.205 5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 437 26.889 1.608 6.755 1.00 0.00 H new ATOM 1198 N TYR A 438 26.074 2.379 1.778 1.00 0.00 N ATOM 1199 CA TYR A 438 26.286 3.326 0.703 1.00 0.00 C ATOM 1200 C TYR A 438 26.015 2.713 -0.669 1.00 0.00 C ATOM 1201 O TYR A 438 26.119 1.504 -0.854 1.00 0.00 O ATOM 1202 CB TYR A 438 27.711 3.868 0.731 1.00 0.00 C ATOM 1203 CG TYR A 438 28.074 4.596 2.015 1.00 0.00 C ATOM 1204 CD1 TYR A 438 28.522 3.896 3.131 1.00 0.00 C ATOM 1205 CD2 TYR A 438 27.970 5.981 2.119 1.00 0.00 C ATOM 1206 CE1 TYR A 438 28.860 4.551 4.303 1.00 0.00 C ATOM 1207 CE2 TYR A 438 28.304 6.638 3.287 1.00 0.00 C ATOM 1208 CZ TYR A 438 28.749 5.922 4.376 1.00 0.00 C ATOM 1209 OH TYR A 438 29.088 6.563 5.537 1.00 0.00 O ATOM 0 H TYR A 438 26.795 1.660 1.846 1.00 0.00 H new ATOM 0 HA TYR A 438 25.577 4.138 0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 438 28.406 3.041 0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 438 27.846 4.548 -0.110 1.00 0.00 H new ATOM 0 HD1 TYR A 438 28.608 2.821 3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 438 27.622 6.552 1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 438 29.209 3.989 5.157 1.00 0.00 H new ATOM 0 HE2 TYR A 438 28.216 7.713 3.346 1.00 0.00 H new ATOM 0 HH TYR A 438 28.956 7.528 5.429 1.00 0.00 H new ATOM 1219 N ARG A 439 25.686 3.577 -1.630 1.00 0.00 N ATOM 1220 CA ARG A 439 25.452 3.156 -3.011 1.00 0.00 C ATOM 1221 C ARG A 439 26.728 3.300 -3.842 1.00 0.00 C ATOM 1222 O ARG A 439 27.588 4.097 -3.518 1.00 0.00 O ATOM 1223 CB ARG A 439 24.337 4.011 -3.630 1.00 0.00 C ATOM 1224 CG ARG A 439 23.081 4.057 -2.787 1.00 0.00 C ATOM 1225 CD ARG A 439 21.954 4.836 -3.466 1.00 0.00 C ATOM 1226 NE ARG A 439 22.252 6.265 -3.587 1.00 0.00 N ATOM 1227 CZ ARG A 439 21.818 7.044 -4.591 1.00 0.00 C ATOM 1228 NH1 ARG A 439 21.185 6.499 -5.625 1.00 0.00 N ATOM 1229 NH2 ARG A 439 22.041 8.340 -4.565 1.00 0.00 N ATOM 0 H ARG A 439 25.575 4.579 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 439 25.153 2.108 -3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 439 24.706 5.026 -3.776 1.00 0.00 H new ATOM 0 HB3 ARG A 439 24.091 3.616 -4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 439 22.745 3.040 -2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 439 23.309 4.516 -1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 439 21.776 4.420 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 439 21.034 4.707 -2.896 1.00 0.00 H new ATOM 0 HE ARG A 439 22.826 6.696 -2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 439 21.030 5.491 -5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 439 20.854 7.089 -6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 439 22.545 8.755 -3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 439 21.710 8.930 -5.329 1.00 0.00 H new ATOM 1243 N HIS A 440 26.828 2.484 -4.893 1.00 0.00 N ATOM 1244 CA HIS A 440 27.961 2.587 -5.818 1.00 0.00 C ATOM 1245 C HIS A 440 27.422 2.671 -7.250 1.00 0.00 C ATOM 1246 O HIS A 440 27.353 1.675 -7.963 1.00 0.00 O ATOM 1247 CB HIS A 440 28.929 1.398 -5.660 1.00 0.00 C ATOM 1248 CG HIS A 440 29.534 1.307 -4.277 1.00 0.00 C ATOM 1249 ND1 HIS A 440 28.976 0.585 -3.242 1.00 0.00 N ATOM 1250 CD2 HIS A 440 30.666 1.860 -3.776 1.00 0.00 C ATOM 1251 CE1 HIS A 440 29.748 0.724 -2.166 1.00 0.00 C ATOM 1252 NE2 HIS A 440 30.803 1.499 -2.424 1.00 0.00 N ATOM 0 H HIS A 440 26.152 1.756 -5.124 1.00 0.00 H new ATOM 0 HA HIS A 440 28.529 3.488 -5.588 1.00 0.00 H new ATOM 0 HB2 HIS A 440 28.397 0.472 -5.879 1.00 0.00 H new ATOM 0 HB3 HIS A 440 29.729 1.488 -6.395 1.00 0.00 H new ATOM 0 HD2 HIS A 440 31.355 2.481 -4.329 1.00 0.00 H new ATOM 0 HE1 HIS A 440 29.546 0.268 -1.208 1.00 0.00 H new ATOM 0 HE2 HIS A 440 31.547 1.770 -1.781 1.00 0.00 H new ATOM 1260 N ASN A 441 26.994 3.873 -7.633 1.00 0.00 N ATOM 1261 CA ASN A 441 26.407 4.100 -8.946 1.00 0.00 C ATOM 1262 C ASN A 441 27.515 4.331 -9.984 1.00 0.00 C ATOM 1263 O ASN A 441 28.486 5.032 -9.703 1.00 0.00 O ATOM 1264 CB ASN A 441 25.451 5.319 -8.919 1.00 0.00 C ATOM 1265 CG ASN A 441 24.292 5.147 -7.942 1.00 0.00 C ATOM 1266 OD1 ASN A 441 23.823 4.036 -7.705 1.00 0.00 O ATOM 1267 ND2 ASN A 441 23.806 6.251 -7.363 1.00 0.00 N ATOM 0 H ASN A 441 27.045 4.706 -7.047 1.00 0.00 H new ATOM 0 HA ASN A 441 25.832 3.216 -9.221 1.00 0.00 H new ATOM 0 HB2 ASN A 441 26.016 6.211 -8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 441 25.053 5.484 -9.920 1.00 0.00 H new ATOM 0 HD21 ASN A 441 23.028 6.183 -6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 441 24.214 7.161 -7.577 1.00 0.00 H new ATOM 1274 N THR A 442 27.349 3.757 -11.169 1.00 0.00 N ATOM 1275 CA THR A 442 28.361 3.840 -12.211 1.00 0.00 C ATOM 1276 C THR A 442 28.000 4.877 -13.274 1.00 0.00 C ATOM 1277 O THR A 442 26.876 4.870 -13.814 1.00 0.00 O ATOM 1278 CB THR A 442 28.584 2.462 -12.870 1.00 0.00 C ATOM 1279 OG1 THR A 442 27.332 1.798 -13.059 1.00 0.00 O ATOM 1280 CG2 THR A 442 29.497 1.597 -12.000 1.00 0.00 C ATOM 0 H THR A 442 26.518 3.227 -11.432 1.00 0.00 H new ATOM 0 HA THR A 442 29.287 4.159 -11.733 1.00 0.00 H new ATOM 0 HB THR A 442 29.059 2.616 -13.839 1.00 0.00 H new ATOM 0 HG1 THR A 442 27.484 0.926 -13.479 1.00 0.00 H new ATOM 0 HG21 THR A 442 29.645 0.629 -12.478 1.00 0.00 H new ATOM 0 HG22 THR A 442 30.460 2.092 -11.879 1.00 0.00 H new ATOM 0 HG23 THR A 442 29.038 1.453 -11.022 1.00 0.00 H new ATOM 1288 N LEU A 443 28.947 5.739 -13.573 1.00 0.00 N ATOM 1289 CA LEU A 443 28.749 6.797 -14.556 1.00 0.00 C ATOM 1290 C LEU A 443 29.564 6.478 -15.815 1.00 0.00 C ATOM 1291 O LEU A 443 30.588 5.815 -15.739 1.00 0.00 O ATOM 1292 CB LEU A 443 29.109 8.183 -13.952 1.00 0.00 C ATOM 1293 CG LEU A 443 30.372 8.250 -13.068 1.00 0.00 C ATOM 1294 CD1 LEU A 443 31.650 8.111 -13.890 1.00 0.00 C ATOM 1295 CD2 LEU A 443 30.413 9.563 -12.270 1.00 0.00 C ATOM 0 H LEU A 443 29.874 5.732 -13.147 1.00 0.00 H new ATOM 0 HA LEU A 443 27.698 6.846 -14.839 1.00 0.00 H new ATOM 0 HB2 LEU A 443 29.231 8.890 -14.773 1.00 0.00 H new ATOM 0 HB3 LEU A 443 28.261 8.526 -13.359 1.00 0.00 H new ATOM 0 HG LEU A 443 30.319 7.409 -12.376 1.00 0.00 H new ATOM 0 HD11 LEU A 443 32.515 8.164 -13.229 1.00 0.00 H new ATOM 0 HD12 LEU A 443 31.647 7.152 -14.408 1.00 0.00 H new ATOM 0 HD13 LEU A 443 31.702 8.918 -14.621 1.00 0.00 H new ATOM 0 HD21 LEU A 443 31.312 9.587 -11.655 1.00 0.00 H new ATOM 0 HD22 LEU A 443 30.422 10.407 -12.959 1.00 0.00 H new ATOM 0 HD23 LEU A 443 29.533 9.627 -11.630 1.00 0.00 H new ATOM 1307 N PRO A 444 29.081 6.949 -16.981 1.00 0.00 N ATOM 1308 CA PRO A 444 29.727 6.643 -18.284 1.00 0.00 C ATOM 1309 C PRO A 444 31.148 7.211 -18.374 1.00 0.00 C ATOM 1310 O PRO A 444 31.987 6.627 -19.075 1.00 0.00 O ATOM 1311 CB PRO A 444 28.799 7.323 -19.301 1.00 0.00 C ATOM 1312 CG PRO A 444 28.006 8.326 -18.544 1.00 0.00 C ATOM 1313 CD PRO A 444 27.861 7.764 -17.153 1.00 0.00 C ATOM 0 HA PRO A 444 29.845 5.572 -18.448 1.00 0.00 H new ATOM 0 HB2 PRO A 444 29.375 7.802 -20.093 1.00 0.00 H new ATOM 0 HB3 PRO A 444 28.146 6.593 -19.779 1.00 0.00 H new ATOM 0 HG2 PRO A 444 28.511 9.292 -18.526 1.00 0.00 H new ATOM 0 HG3 PRO A 444 27.032 8.485 -19.006 1.00 0.00 H new ATOM 0 HD2 PRO A 444 27.798 8.555 -16.405 1.00 0.00 H new ATOM 0 HD3 PRO A 444 26.958 7.161 -17.056 1.00 0.00 H new ATOM 1321 N VAL A 445 31.414 8.320 -17.704 1.00 0.00 N ATOM 1322 CA VAL A 445 32.702 9.027 -17.728 1.00 0.00 C ATOM 1323 C VAL A 445 33.268 9.143 -19.174 1.00 0.00 C ATOM 1324 O VAL A 445 34.474 9.169 -19.397 1.00 0.00 O ATOM 1325 CB VAL A 445 33.771 8.399 -16.762 1.00 0.00 C ATOM 1326 CG1 VAL A 445 34.276 7.043 -17.270 1.00 0.00 C ATOM 1327 CG2 VAL A 445 34.904 9.334 -16.497 1.00 0.00 C ATOM 0 H VAL A 445 30.723 8.775 -17.107 1.00 0.00 H new ATOM 0 HA VAL A 445 32.494 10.031 -17.357 1.00 0.00 H new ATOM 0 HB VAL A 445 33.266 8.224 -15.812 1.00 0.00 H new ATOM 0 HG11 VAL A 445 35.013 6.645 -16.573 1.00 0.00 H new ATOM 0 HG12 VAL A 445 33.439 6.349 -17.349 1.00 0.00 H new ATOM 0 HG13 VAL A 445 34.736 7.170 -18.250 1.00 0.00 H new ATOM 0 HG21 VAL A 445 35.618 8.859 -15.825 1.00 0.00 H new ATOM 0 HG22 VAL A 445 35.399 9.582 -17.436 1.00 0.00 H new ATOM 0 HG23 VAL A 445 34.523 10.245 -16.036 1.00 0.00 H new ATOM 1337 N ARG A 446 32.354 9.219 -20.115 1.00 0.00 N ATOM 1338 CA ARG A 446 32.703 9.231 -21.538 1.00 0.00 C ATOM 1339 C ARG A 446 32.966 10.651 -22.022 1.00 0.00 C ATOM 1340 O ARG A 446 32.649 11.621 -21.334 1.00 0.00 O ATOM 1341 CB ARG A 446 31.557 8.587 -22.350 1.00 0.00 C ATOM 1342 CG ARG A 446 31.853 8.382 -23.822 1.00 0.00 C ATOM 1343 CD ARG A 446 33.045 7.487 -24.063 1.00 0.00 C ATOM 1344 NE ARG A 446 33.314 7.318 -25.498 1.00 0.00 N ATOM 1345 CZ ARG A 446 34.348 6.643 -25.995 1.00 0.00 C ATOM 1346 NH1 ARG A 446 35.219 6.049 -25.188 1.00 0.00 N ATOM 1347 NH2 ARG A 446 34.506 6.558 -27.310 1.00 0.00 N ATOM 0 H ARG A 446 31.353 9.274 -19.929 1.00 0.00 H new ATOM 0 HA ARG A 446 33.618 8.656 -21.683 1.00 0.00 H new ATOM 0 HB2 ARG A 446 31.315 7.622 -21.906 1.00 0.00 H new ATOM 0 HB3 ARG A 446 30.669 9.213 -22.257 1.00 0.00 H new ATOM 0 HG2 ARG A 446 30.977 7.951 -24.307 1.00 0.00 H new ATOM 0 HG3 ARG A 446 32.032 9.350 -24.290 1.00 0.00 H new ATOM 0 HD2 ARG A 446 33.923 7.910 -23.575 1.00 0.00 H new ATOM 0 HD3 ARG A 446 32.867 6.512 -23.609 1.00 0.00 H new ATOM 0 HE ARG A 446 32.665 7.747 -26.157 1.00 0.00 H new ATOM 0 HH11 ARG A 446 35.099 6.107 -24.177 1.00 0.00 H new ATOM 0 HH12 ARG A 446 36.008 5.534 -25.579 1.00 0.00 H new ATOM 0 HH21 ARG A 446 33.837 7.009 -27.934 1.00 0.00 H new ATOM 0 HH22 ARG A 446 35.297 6.042 -27.696 1.00 0.00 H new ATOM 1361 N ASN A 447 33.579 10.748 -23.201 1.00 0.00 N ATOM 1362 CA ASN A 447 33.918 12.026 -23.847 1.00 0.00 C ATOM 1363 C ASN A 447 32.768 13.007 -23.748 1.00 0.00 C ATOM 1364 O ASN A 447 32.923 14.085 -23.161 1.00 0.00 O ATOM 1365 CB ASN A 447 34.255 11.787 -25.326 1.00 0.00 C ATOM 1366 CG ASN A 447 35.321 10.746 -25.558 1.00 0.00 C ATOM 1367 OD1 ASN A 447 35.502 9.836 -24.734 1.00 0.00 O ATOM 1368 ND2 ASN A 447 36.019 10.839 -26.683 1.00 0.00 N ATOM 0 H ASN A 447 33.860 9.933 -23.746 1.00 0.00 H new ATOM 0 HA ASN A 447 34.781 12.448 -23.333 1.00 0.00 H new ATOM 0 HB2 ASN A 447 33.348 11.484 -25.849 1.00 0.00 H new ATOM 0 HB3 ASN A 447 34.580 12.728 -25.769 1.00 0.00 H new ATOM 0 HD21 ASN A 447 36.736 10.146 -26.897 1.00 0.00 H new ATOM 0 HD22 ASN A 447 35.838 11.603 -27.334 1.00 0.00 H new ATOM 1375 N VAL A 448 31.594 12.628 -24.279 1.00 0.00 N ATOM 1376 CA VAL A 448 30.422 13.505 -24.308 1.00 0.00 C ATOM 1377 C VAL A 448 29.188 12.787 -23.777 1.00 0.00 C ATOM 1378 O VAL A 448 29.274 11.636 -23.360 1.00 0.00 O ATOM 1379 CB VAL A 448 30.145 13.988 -25.743 1.00 0.00 C ATOM 1380 CG1 VAL A 448 31.344 14.772 -26.307 1.00 0.00 C ATOM 1381 CG2 VAL A 448 29.749 12.837 -26.687 1.00 0.00 C ATOM 0 H VAL A 448 31.435 11.711 -24.696 1.00 0.00 H new ATOM 0 HA VAL A 448 30.637 14.362 -23.669 1.00 0.00 H new ATOM 0 HB VAL A 448 29.289 14.661 -25.686 1.00 0.00 H new ATOM 0 HG11 VAL A 448 31.119 15.100 -27.322 1.00 0.00 H new ATOM 0 HG12 VAL A 448 31.538 15.641 -25.679 1.00 0.00 H new ATOM 0 HG13 VAL A 448 32.225 14.130 -26.320 1.00 0.00 H new ATOM 0 HG21 VAL A 448 29.565 13.233 -27.686 1.00 0.00 H new ATOM 0 HG22 VAL A 448 30.557 12.107 -26.729 1.00 0.00 H new ATOM 0 HG23 VAL A 448 28.844 12.356 -26.315 1.00 0.00 H new