USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 345 SER OG : rot -31:sc= 0.143 USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.052) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 351 GLN : amide:sc= -15.4! C(o=-15!,f=-14!) USER MOD Single : A 353 SER OG : rot -110:sc= -0.134! USER MOD Single : A 354 SER OG : rot -150:sc= 0.171 USER MOD Single : A 355 SER OG : rot 180:sc= -1.14! USER MOD Single : A 356 SER OG : rot 180:sc= 0 USER MOD Single : A 357 ASN : amide:sc= -2.22 K(o=-2.2,f=-1.5) USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 ASN : amide:sc= -0.0247 X(o=-0.025,f=-0.49) USER MOD Single : A 362 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 369 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.46!) USER MOD Single : A 371 LYS NZ :NH3+ -157:sc= -0.0734 (180deg=-0.694) USER MOD Single : A 372 ASN : amide:sc= -0.204! K(o=-0.2!,f=-0.85) USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 TYR OH : rot 24:sc= -0.836 USER MOD Single : A 378 THR OG1 : rot 72:sc= -0.147 USER MOD Single : A 379 THR OG1 : rot 46:sc= 0.21 USER MOD Single : A 381 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.085) USER MOD Single : A 383 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.9!) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 390 SER OG : rot 180:sc= 0 USER MOD Single : A 393 TYR OH : rot 180:sc= -0.0289 USER MOD Single : A 395 SER OG : rot -30:sc= -0.362! USER MOD Single : A 396 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.156) USER MOD Single : A 400 LYS NZ :NH3+ 148:sc= -0.303 (180deg=-1.29!) USER MOD Single : A 401 LYS NZ :NH3+ -154:sc= -0.198 (180deg=-0.951) USER MOD Single : A 404 SER OG : rot -88:sc= 0.382 USER MOD Single : A 405 THR OG1 : rot -52:sc= 0.504 USER MOD Single : A 411 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 413 LYS NZ :NH3+ 157:sc= -0.0245 (180deg=-0.323) USER MOD Single : A 414 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.4) USER MOD Single : A 418 LYS NZ :NH3+ -109:sc= -4! (180deg=-6.12!) USER MOD Single : A 422 GLN : amide:sc= -2.63! C(o=-2.6!,f=-4!) USER MOD Single : A 424 GLN : amide:sc= -0.426 K(o=-0.43,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 103.721 2.703 -6.011 1.00 0.00 N ATOM 322 CA SER A 345 102.962 2.616 -4.765 1.00 0.00 C ATOM 323 C SER A 345 103.494 3.615 -3.742 1.00 0.00 C ATOM 324 O SER A 345 102.743 4.125 -2.909 1.00 0.00 O ATOM 325 CB SER A 345 103.063 1.201 -4.195 1.00 0.00 C ATOM 326 OG SER A 345 104.431 0.871 -3.998 1.00 0.00 O ATOM 0 HA SER A 345 101.919 2.852 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 345 102.522 1.137 -3.251 1.00 0.00 H new ATOM 0 HB3 SER A 345 102.599 0.488 -4.877 1.00 0.00 H new ATOM 0 HG SER A 345 104.978 1.327 -4.671 1.00 0.00 H new ATOM 332 N SER A 346 104.793 3.888 -3.808 1.00 0.00 N ATOM 333 CA SER A 346 105.417 4.825 -2.881 1.00 0.00 C ATOM 334 C SER A 346 104.929 6.247 -3.140 1.00 0.00 C ATOM 335 O SER A 346 105.196 7.157 -2.354 1.00 0.00 O ATOM 336 CB SER A 346 106.937 4.771 -3.031 1.00 0.00 C ATOM 337 OG SER A 346 107.417 3.542 -2.500 1.00 0.00 O ATOM 0 H SER A 346 105.431 3.477 -4.489 1.00 0.00 H new ATOM 0 HA SER A 346 105.140 4.539 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 346 107.214 4.860 -4.082 1.00 0.00 H new ATOM 0 HB3 SER A 346 107.396 5.610 -2.508 1.00 0.00 H new ATOM 0 HG SER A 346 108.392 3.503 -2.596 1.00 0.00 H new ATOM 343 N HIS A 347 104.215 6.434 -4.246 1.00 0.00 N ATOM 344 CA HIS A 347 103.697 7.753 -4.596 1.00 0.00 C ATOM 345 C HIS A 347 102.419 8.054 -3.819 1.00 0.00 C ATOM 346 O HIS A 347 101.651 7.149 -3.491 1.00 0.00 O ATOM 347 CB HIS A 347 103.409 7.819 -6.099 1.00 0.00 C ATOM 348 CG HIS A 347 104.706 7.859 -6.860 1.00 0.00 C ATOM 349 ND1 HIS A 347 104.906 8.710 -7.936 1.00 0.00 N ATOM 350 CD2 HIS A 347 105.878 7.159 -6.713 1.00 0.00 C ATOM 351 CE1 HIS A 347 106.155 8.503 -8.390 1.00 0.00 C ATOM 352 NE2 HIS A 347 106.791 7.567 -7.680 1.00 0.00 N ATOM 0 H HIS A 347 103.983 5.696 -4.911 1.00 0.00 H new ATOM 0 HA HIS A 347 104.450 8.497 -4.336 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.822 6.953 -6.405 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.814 8.704 -6.327 1.00 0.00 H new ATOM 0 HD2 HIS A 347 106.063 6.406 -5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 347 106.591 9.029 -9.226 1.00 0.00 H new ATOM 0 HE2 HIS A 347 107.742 7.225 -7.817 1.00 0.00 H new ATOM 361 N TYR A 348 102.196 9.337 -3.532 1.00 0.00 N ATOM 362 CA TYR A 348 101.005 9.770 -2.793 1.00 0.00 C ATOM 363 C TYR A 348 100.124 10.643 -3.683 1.00 0.00 C ATOM 364 O TYR A 348 100.567 11.143 -4.717 1.00 0.00 O ATOM 365 CB TYR A 348 101.428 10.567 -1.548 1.00 0.00 C ATOM 366 CG TYR A 348 101.832 9.619 -0.441 1.00 0.00 C ATOM 367 CD1 TYR A 348 103.100 9.026 -0.453 1.00 0.00 C ATOM 368 CD2 TYR A 348 100.937 9.335 0.598 1.00 0.00 C ATOM 369 CE1 TYR A 348 103.473 8.150 0.575 1.00 0.00 C ATOM 370 CE2 TYR A 348 101.308 8.460 1.625 1.00 0.00 C ATOM 371 CZ TYR A 348 102.577 7.867 1.613 1.00 0.00 C ATOM 372 OH TYR A 348 102.943 7.004 2.625 1.00 0.00 O ATOM 0 H TYR A 348 102.823 10.096 -3.799 1.00 0.00 H new ATOM 0 HA TYR A 348 100.440 8.890 -2.486 1.00 0.00 H new ATOM 0 HB2 TYR A 348 102.259 11.228 -1.794 1.00 0.00 H new ATOM 0 HB3 TYR A 348 100.606 11.200 -1.214 1.00 0.00 H new ATOM 0 HD1 TYR A 348 103.791 9.244 -1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 348 99.959 9.792 0.607 1.00 0.00 H new ATOM 0 HE1 TYR A 348 104.452 7.693 0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 348 100.617 8.242 2.426 1.00 0.00 H new ATOM 0 HH TYR A 348 102.206 6.919 3.265 1.00 0.00 H new ATOM 382 N THR A 349 98.873 10.824 -3.267 1.00 0.00 N ATOM 383 CA THR A 349 97.930 11.640 -4.025 1.00 0.00 C ATOM 384 C THR A 349 96.845 12.178 -3.098 1.00 0.00 C ATOM 385 O THR A 349 95.929 11.453 -2.712 1.00 0.00 O ATOM 386 CB THR A 349 97.289 10.805 -5.136 1.00 0.00 C ATOM 387 OG1 THR A 349 98.303 10.099 -5.839 1.00 0.00 O ATOM 388 CG2 THR A 349 96.540 11.723 -6.100 1.00 0.00 C ATOM 0 H THR A 349 98.491 10.418 -2.413 1.00 0.00 H new ATOM 0 HA THR A 349 98.468 12.476 -4.471 1.00 0.00 H new ATOM 0 HB THR A 349 96.587 10.094 -4.699 1.00 0.00 H new ATOM 0 HG1 THR A 349 97.895 9.562 -6.550 1.00 0.00 H new ATOM 0 HG21 THR A 349 96.084 11.127 -6.890 1.00 0.00 H new ATOM 0 HG22 THR A 349 95.763 12.263 -5.559 1.00 0.00 H new ATOM 0 HG23 THR A 349 97.238 12.436 -6.540 1.00 0.00 H new ATOM 396 N LEU A 350 96.958 13.452 -2.736 1.00 0.00 N ATOM 397 CA LEU A 350 95.983 14.070 -1.845 1.00 0.00 C ATOM 398 C LEU A 350 94.571 13.891 -2.395 1.00 0.00 C ATOM 399 O LEU A 350 94.371 13.255 -3.429 1.00 0.00 O ATOM 400 CB LEU A 350 96.294 15.568 -1.682 1.00 0.00 C ATOM 401 CG LEU A 350 97.430 15.776 -0.662 1.00 0.00 C ATOM 402 CD1 LEU A 350 96.956 15.446 0.769 1.00 0.00 C ATOM 403 CD2 LEU A 350 98.620 14.884 -1.035 1.00 0.00 C ATOM 0 H LEU A 350 97.708 14.072 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 350 96.044 13.584 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 350 96.579 15.993 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.400 16.097 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 350 97.732 16.823 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 350 97.777 15.601 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 350 96.124 16.097 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 350 96.632 14.406 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 350 99.424 15.030 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 350 98.309 13.839 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 350 98.974 15.147 -2.032 1.00 0.00 H new ATOM 415 N GLN A 351 93.594 14.459 -1.688 1.00 0.00 N ATOM 416 CA GLN A 351 92.192 14.367 -2.096 1.00 0.00 C ATOM 417 C GLN A 351 91.540 15.744 -2.048 1.00 0.00 C ATOM 418 O GLN A 351 91.691 16.480 -1.074 1.00 0.00 O ATOM 419 CB GLN A 351 91.444 13.398 -1.167 1.00 0.00 C ATOM 420 CG GLN A 351 89.918 13.460 -1.423 1.00 0.00 C ATOM 421 CD GLN A 351 89.240 14.415 -0.439 1.00 0.00 C ATOM 422 OE1 GLN A 351 89.778 15.478 -0.130 1.00 0.00 O ATOM 423 NE2 GLN A 351 88.084 14.096 0.074 1.00 0.00 N ATOM 0 H GLN A 351 93.748 14.988 -0.830 1.00 0.00 H new ATOM 0 HA GLN A 351 92.143 13.992 -3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 351 91.804 12.382 -1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.654 13.649 -0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.729 13.789 -2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 351 89.487 12.463 -1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 351 87.638 13.215 -0.182 1.00 0.00 H new ATOM 0 HE22 GLN A 351 87.626 14.727 0.731 1.00 0.00 H new ATOM 432 N LEU A 352 90.824 16.091 -3.112 1.00 0.00 N ATOM 433 CA LEU A 352 90.161 17.386 -3.184 1.00 0.00 C ATOM 434 C LEU A 352 88.904 17.389 -2.318 1.00 0.00 C ATOM 435 O LEU A 352 88.642 18.351 -1.595 1.00 0.00 O ATOM 436 CB LEU A 352 89.793 17.702 -4.640 1.00 0.00 C ATOM 437 CG LEU A 352 91.036 18.183 -5.398 1.00 0.00 C ATOM 438 CD1 LEU A 352 92.086 17.068 -5.433 1.00 0.00 C ATOM 439 CD2 LEU A 352 90.644 18.562 -6.830 1.00 0.00 C ATOM 0 H LEU A 352 90.689 15.498 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 352 90.843 18.150 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 352 89.383 16.814 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 352 89.018 18.468 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 352 91.453 19.053 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 352 92.967 17.415 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 352 92.366 16.800 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 352 91.672 16.194 -5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 352 91.527 18.904 -7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 352 90.224 17.692 -7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 352 89.902 19.360 -6.805 1.00 0.00 H new ATOM 451 N SER A 353 88.132 16.310 -2.393 1.00 0.00 N ATOM 452 CA SER A 353 86.906 16.208 -1.602 1.00 0.00 C ATOM 453 C SER A 353 86.273 14.829 -1.748 1.00 0.00 C ATOM 454 O SER A 353 86.878 13.910 -2.299 1.00 0.00 O ATOM 455 CB SER A 353 85.906 17.274 -2.046 1.00 0.00 C ATOM 456 OG SER A 353 84.689 17.102 -1.332 1.00 0.00 O ATOM 0 H SER A 353 88.328 15.502 -2.984 1.00 0.00 H new ATOM 0 HA SER A 353 87.168 16.363 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 353 86.312 18.269 -1.862 1.00 0.00 H new ATOM 0 HB3 SER A 353 85.726 17.196 -3.118 1.00 0.00 H new ATOM 0 HG SER A 353 83.994 16.780 -1.943 1.00 0.00 H new ATOM 462 N SER A 354 85.046 14.694 -1.243 1.00 0.00 N ATOM 463 CA SER A 354 84.324 13.424 -1.312 1.00 0.00 C ATOM 464 C SER A 354 82.824 13.670 -1.453 1.00 0.00 C ATOM 465 O SER A 354 82.318 14.724 -1.066 1.00 0.00 O ATOM 466 CB SER A 354 84.589 12.607 -0.048 1.00 0.00 C ATOM 467 OG SER A 354 83.844 11.397 -0.106 1.00 0.00 O ATOM 0 H SER A 354 84.533 15.446 -0.783 1.00 0.00 H new ATOM 0 HA SER A 354 84.676 12.872 -2.184 1.00 0.00 H new ATOM 0 HB2 SER A 354 85.653 12.388 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 354 84.306 13.180 0.835 1.00 0.00 H new ATOM 0 HG SER A 354 83.613 11.111 0.802 1.00 0.00 H new ATOM 473 N SER A 355 82.118 12.689 -2.007 1.00 0.00 N ATOM 474 CA SER A 355 80.675 12.803 -2.194 1.00 0.00 C ATOM 475 C SER A 355 80.113 11.483 -2.721 1.00 0.00 C ATOM 476 O SER A 355 80.833 10.491 -2.822 1.00 0.00 O ATOM 477 CB SER A 355 80.360 13.954 -3.173 1.00 0.00 C ATOM 478 OG SER A 355 79.445 13.509 -4.168 1.00 0.00 O ATOM 0 H SER A 355 82.519 11.810 -2.333 1.00 0.00 H new ATOM 0 HA SER A 355 80.205 13.024 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 355 79.937 14.799 -2.630 1.00 0.00 H new ATOM 0 HB3 SER A 355 81.279 14.305 -3.643 1.00 0.00 H new ATOM 0 HG SER A 355 79.249 14.245 -4.785 1.00 0.00 H new ATOM 484 N SER A 356 78.820 11.472 -3.043 1.00 0.00 N ATOM 485 CA SER A 356 78.169 10.261 -3.549 1.00 0.00 C ATOM 486 C SER A 356 77.185 10.599 -4.667 1.00 0.00 C ATOM 487 O SER A 356 76.123 9.986 -4.776 1.00 0.00 O ATOM 488 CB SER A 356 77.427 9.564 -2.412 1.00 0.00 C ATOM 489 OG SER A 356 78.371 8.983 -1.522 1.00 0.00 O ATOM 0 H SER A 356 78.205 12.282 -2.964 1.00 0.00 H new ATOM 0 HA SER A 356 78.937 9.599 -3.950 1.00 0.00 H new ATOM 0 HB2 SER A 356 76.800 10.279 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 356 76.765 8.795 -2.811 1.00 0.00 H new ATOM 0 HG SER A 356 77.898 8.536 -0.789 1.00 0.00 H new ATOM 495 N ASN A 357 77.547 11.575 -5.492 1.00 0.00 N ATOM 496 CA ASN A 357 76.689 11.986 -6.601 1.00 0.00 C ATOM 497 C ASN A 357 77.522 12.630 -7.705 1.00 0.00 C ATOM 498 O ASN A 357 78.334 13.515 -7.443 1.00 0.00 O ATOM 499 CB ASN A 357 75.634 12.978 -6.102 1.00 0.00 C ATOM 500 CG ASN A 357 74.565 12.243 -5.302 1.00 0.00 C ATOM 501 OD1 ASN A 357 74.254 12.632 -4.176 1.00 0.00 O ATOM 502 ND2 ASN A 357 73.979 11.197 -5.819 1.00 0.00 N ATOM 0 H ASN A 357 78.422 12.094 -5.417 1.00 0.00 H new ATOM 0 HA ASN A 357 76.192 11.104 -7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 357 76.105 13.740 -5.481 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.178 13.492 -6.948 1.00 0.00 H new ATOM 0 HD21 ASN A 357 73.262 10.701 -5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 357 74.238 10.876 -6.752 1.00 0.00 H new ATOM 509 N TYR A 358 77.316 12.177 -8.937 1.00 0.00 N ATOM 510 CA TYR A 358 78.056 12.715 -10.072 1.00 0.00 C ATOM 511 C TYR A 358 77.520 14.088 -10.465 1.00 0.00 C ATOM 512 O TYR A 358 78.267 15.065 -10.517 1.00 0.00 O ATOM 513 CB TYR A 358 77.945 11.762 -11.264 1.00 0.00 C ATOM 514 CG TYR A 358 78.917 12.184 -12.340 1.00 0.00 C ATOM 515 CD1 TYR A 358 78.600 13.253 -13.187 1.00 0.00 C ATOM 516 CD2 TYR A 358 80.133 11.507 -12.492 1.00 0.00 C ATOM 517 CE1 TYR A 358 79.500 13.646 -14.185 1.00 0.00 C ATOM 518 CE2 TYR A 358 81.033 11.901 -13.490 1.00 0.00 C ATOM 519 CZ TYR A 358 80.717 12.969 -14.336 1.00 0.00 C ATOM 520 OH TYR A 358 81.603 13.357 -15.320 1.00 0.00 O ATOM 0 H TYR A 358 76.648 11.444 -9.174 1.00 0.00 H new ATOM 0 HA TYR A 358 79.102 12.818 -9.782 1.00 0.00 H new ATOM 0 HB2 TYR A 358 78.158 10.741 -10.948 1.00 0.00 H new ATOM 0 HB3 TYR A 358 76.928 11.769 -11.655 1.00 0.00 H new ATOM 0 HD1 TYR A 358 77.661 13.774 -13.071 1.00 0.00 H new ATOM 0 HD2 TYR A 358 80.377 10.681 -11.840 1.00 0.00 H new ATOM 0 HE1 TYR A 358 79.256 14.471 -14.838 1.00 0.00 H new ATOM 0 HE2 TYR A 358 81.972 11.380 -13.606 1.00 0.00 H new ATOM 0 HH TYR A 358 82.398 12.785 -15.288 1.00 0.00 H new ATOM 530 N ASP A 359 76.222 14.154 -10.742 1.00 0.00 N ATOM 531 CA ASP A 359 75.597 15.412 -11.131 1.00 0.00 C ATOM 532 C ASP A 359 75.942 16.515 -10.134 1.00 0.00 C ATOM 533 O ASP A 359 76.450 17.571 -10.512 1.00 0.00 O ATOM 534 CB ASP A 359 74.079 15.242 -11.200 1.00 0.00 C ATOM 535 CG ASP A 359 73.421 16.570 -11.560 1.00 0.00 C ATOM 536 OD1 ASP A 359 73.388 16.892 -12.736 1.00 0.00 O ATOM 537 OD2 ASP A 359 72.962 17.245 -10.653 1.00 0.00 O ATOM 0 H ASP A 359 75.587 13.357 -10.705 1.00 0.00 H new ATOM 0 HA ASP A 359 75.976 15.694 -12.113 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.823 14.487 -11.943 1.00 0.00 H new ATOM 0 HB3 ASP A 359 73.701 14.887 -10.241 1.00 0.00 H new ATOM 542 N ASN A 360 75.660 16.263 -8.860 1.00 0.00 N ATOM 543 CA ASN A 360 75.940 17.243 -7.817 1.00 0.00 C ATOM 544 C ASN A 360 77.424 17.601 -7.799 1.00 0.00 C ATOM 545 O ASN A 360 77.790 18.751 -7.557 1.00 0.00 O ATOM 546 CB ASN A 360 75.532 16.684 -6.453 1.00 0.00 C ATOM 547 CG ASN A 360 75.456 17.812 -5.428 1.00 0.00 C ATOM 548 OD1 ASN A 360 74.881 18.864 -5.703 1.00 0.00 O ATOM 549 ND2 ASN A 360 76.007 17.654 -4.255 1.00 0.00 N ATOM 0 H ASN A 360 75.241 15.395 -8.526 1.00 0.00 H new ATOM 0 HA ASN A 360 75.364 18.144 -8.028 1.00 0.00 H new ATOM 0 HB2 ASN A 360 74.566 16.185 -6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 360 76.253 15.934 -6.128 1.00 0.00 H new ATOM 0 HD21 ASN A 360 75.961 18.404 -3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 360 76.483 16.781 -4.029 1.00 0.00 H new ATOM 556 N LEU A 361 78.273 16.610 -8.053 1.00 0.00 N ATOM 557 CA LEU A 361 79.714 16.839 -8.059 1.00 0.00 C ATOM 558 C LEU A 361 80.099 17.761 -9.211 1.00 0.00 C ATOM 559 O LEU A 361 80.924 18.660 -9.049 1.00 0.00 O ATOM 560 CB LEU A 361 80.457 15.503 -8.183 1.00 0.00 C ATOM 561 CG LEU A 361 81.978 15.733 -8.241 1.00 0.00 C ATOM 562 CD1 LEU A 361 82.442 16.523 -7.003 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.697 14.371 -8.297 1.00 0.00 C ATOM 0 H LEU A 361 77.992 15.650 -8.255 1.00 0.00 H new ATOM 0 HA LEU A 361 79.997 17.316 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 361 80.212 14.864 -7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 361 80.128 14.980 -9.081 1.00 0.00 H new ATOM 0 HG LEU A 361 82.222 16.310 -9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 361 83.519 16.680 -7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 361 81.936 17.488 -6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 361 82.200 15.961 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.775 14.530 -8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.449 13.792 -7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.376 13.827 -9.185 1.00 0.00 H new ATOM 575 N ASN A 362 79.497 17.533 -10.375 1.00 0.00 N ATOM 576 CA ASN A 362 79.787 18.356 -11.545 1.00 0.00 C ATOM 577 C ASN A 362 79.795 19.832 -11.163 1.00 0.00 C ATOM 578 O ASN A 362 80.672 20.588 -11.580 1.00 0.00 O ATOM 579 CB ASN A 362 78.737 18.111 -12.631 1.00 0.00 C ATOM 580 CG ASN A 362 79.221 18.676 -13.961 1.00 0.00 C ATOM 581 OD1 ASN A 362 78.795 19.756 -14.369 1.00 0.00 O ATOM 582 ND2 ASN A 362 80.092 18.008 -14.665 1.00 0.00 N ATOM 0 H ASN A 362 78.813 16.793 -10.533 1.00 0.00 H new ATOM 0 HA ASN A 362 80.770 18.083 -11.928 1.00 0.00 H new ATOM 0 HB2 ASN A 362 78.545 17.042 -12.729 1.00 0.00 H new ATOM 0 HB3 ASN A 362 77.794 18.579 -12.349 1.00 0.00 H new ATOM 0 HD21 ASN A 362 80.421 18.381 -15.556 1.00 0.00 H new ATOM 0 HD22 ASN A 362 80.444 17.113 -14.325 1.00 0.00 H new ATOM 589 N GLY A 363 78.811 20.232 -10.365 1.00 0.00 N ATOM 590 CA GLY A 363 78.714 21.617 -9.926 1.00 0.00 C ATOM 591 C GLY A 363 79.948 22.018 -9.126 1.00 0.00 C ATOM 592 O GLY A 363 80.724 22.873 -9.553 1.00 0.00 O ATOM 0 H GLY A 363 78.075 19.621 -10.012 1.00 0.00 H new ATOM 0 HA2 GLY A 363 78.608 22.271 -10.791 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.821 21.748 -9.315 1.00 0.00 H new ATOM 596 N TRP A 364 80.123 21.400 -7.962 1.00 0.00 N ATOM 597 CA TRP A 364 81.267 21.706 -7.111 1.00 0.00 C ATOM 598 C TRP A 364 82.555 21.743 -7.927 1.00 0.00 C ATOM 599 O TRP A 364 83.144 22.805 -8.125 1.00 0.00 O ATOM 600 CB TRP A 364 81.398 20.656 -6.004 1.00 0.00 C ATOM 601 CG TRP A 364 82.447 21.099 -5.036 1.00 0.00 C ATOM 602 CD1 TRP A 364 82.335 22.163 -4.209 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.762 20.519 -4.784 1.00 0.00 C ATOM 604 NE1 TRP A 364 83.499 22.278 -3.467 1.00 0.00 N ATOM 605 CE2 TRP A 364 84.407 21.288 -3.785 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.454 19.413 -5.319 1.00 0.00 C ATOM 607 CZ2 TRP A 364 85.689 20.975 -3.335 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.744 19.097 -4.864 1.00 0.00 C ATOM 609 CH2 TRP A 364 86.359 19.876 -3.877 1.00 0.00 C ATOM 0 H TRP A 364 79.493 20.690 -7.589 1.00 0.00 H new ATOM 0 HA TRP A 364 81.103 22.687 -6.665 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.444 20.527 -5.493 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.664 19.689 -6.431 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.478 22.816 -4.139 1.00 0.00 H new ATOM 0 HE1 TRP A 364 83.665 23.005 -2.771 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.990 18.806 -6.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 86.160 21.578 -2.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 86.265 18.247 -5.278 1.00 0.00 H new ATOM 0 HH2 TRP A 364 87.352 19.627 -3.534 1.00 0.00 H new ATOM 620 N ALA A 365 82.989 20.576 -8.395 1.00 0.00 N ATOM 621 CA ALA A 365 84.214 20.481 -9.188 1.00 0.00 C ATOM 622 C ALA A 365 84.326 21.652 -10.162 1.00 0.00 C ATOM 623 O ALA A 365 85.375 22.288 -10.266 1.00 0.00 O ATOM 624 CB ALA A 365 84.228 19.165 -9.967 1.00 0.00 C ATOM 0 H ALA A 365 82.514 19.686 -8.241 1.00 0.00 H new ATOM 0 HA ALA A 365 85.064 20.513 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 365 85.143 19.100 -10.556 1.00 0.00 H new ATOM 0 HB2 ALA A 365 84.186 18.329 -9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.365 19.127 -10.632 1.00 0.00 H new ATOM 630 N LYS A 366 83.239 21.933 -10.872 1.00 0.00 N ATOM 631 CA LYS A 366 83.229 23.030 -11.832 1.00 0.00 C ATOM 632 C LYS A 366 83.327 24.373 -11.115 1.00 0.00 C ATOM 633 O LYS A 366 83.953 25.308 -11.613 1.00 0.00 O ATOM 634 CB LYS A 366 81.941 22.985 -12.664 1.00 0.00 C ATOM 635 CG LYS A 366 81.949 21.757 -13.595 1.00 0.00 C ATOM 636 CD LYS A 366 82.689 22.081 -14.901 1.00 0.00 C ATOM 637 CE LYS A 366 82.573 20.893 -15.858 1.00 0.00 C ATOM 638 NZ LYS A 366 83.384 21.160 -17.080 1.00 0.00 N ATOM 0 H LYS A 366 82.360 21.421 -10.802 1.00 0.00 H new ATOM 0 HA LYS A 366 84.091 22.920 -12.490 1.00 0.00 H new ATOM 0 HB2 LYS A 366 81.075 22.944 -12.004 1.00 0.00 H new ATOM 0 HB3 LYS A 366 81.849 23.897 -13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 366 82.431 20.917 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 366 80.926 21.453 -13.815 1.00 0.00 H new ATOM 0 HD2 LYS A 366 82.266 22.975 -15.360 1.00 0.00 H new ATOM 0 HD3 LYS A 366 83.738 22.295 -14.694 1.00 0.00 H new ATOM 0 HE2 LYS A 366 82.921 19.983 -15.369 1.00 0.00 H new ATOM 0 HE3 LYS A 366 81.530 20.731 -16.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 83.306 20.353 -17.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 83.032 22.019 -17.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 84.380 21.294 -16.813 1.00 0.00 H new ATOM 652 N LYS A 367 82.704 24.462 -9.944 1.00 0.00 N ATOM 653 CA LYS A 367 82.729 25.700 -9.169 1.00 0.00 C ATOM 654 C LYS A 367 84.155 26.037 -8.742 1.00 0.00 C ATOM 655 O LYS A 367 84.658 27.123 -9.030 1.00 0.00 O ATOM 656 CB LYS A 367 81.837 25.563 -7.931 1.00 0.00 C ATOM 657 CG LYS A 367 81.773 26.904 -7.189 1.00 0.00 C ATOM 658 CD LYS A 367 80.569 26.912 -6.241 1.00 0.00 C ATOM 659 CE LYS A 367 80.690 25.756 -5.246 1.00 0.00 C ATOM 660 NZ LYS A 367 79.726 25.960 -4.128 1.00 0.00 N ATOM 0 H LYS A 367 82.180 23.700 -9.513 1.00 0.00 H new ATOM 0 HA LYS A 367 82.352 26.507 -9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 367 80.835 25.251 -8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 367 82.230 24.790 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 367 82.693 27.063 -6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 367 81.691 27.723 -7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 367 80.520 27.861 -5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 367 79.644 26.819 -6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 367 80.488 24.809 -5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 367 81.707 25.701 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 79.808 25.174 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 79.939 26.856 -3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 78.758 25.992 -4.506 1.00 0.00 H new ATOM 674 N GLU A 368 84.804 25.098 -8.059 1.00 0.00 N ATOM 675 CA GLU A 368 86.174 25.310 -7.603 1.00 0.00 C ATOM 676 C GLU A 368 87.104 25.503 -8.798 1.00 0.00 C ATOM 677 O GLU A 368 88.268 25.871 -8.637 1.00 0.00 O ATOM 678 CB GLU A 368 86.642 24.109 -6.772 1.00 0.00 C ATOM 679 CG GLU A 368 86.013 24.168 -5.376 1.00 0.00 C ATOM 680 CD GLU A 368 84.501 24.329 -5.488 1.00 0.00 C ATOM 681 OE1 GLU A 368 83.858 23.400 -5.948 1.00 0.00 O ATOM 682 OE2 GLU A 368 84.009 25.381 -5.113 1.00 0.00 O ATOM 0 H GLU A 368 84.408 24.191 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 368 86.201 26.207 -6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 368 86.362 23.180 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 368 87.729 24.112 -6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 368 86.250 23.259 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 368 86.434 25.001 -4.814 1.00 0.00 H new ATOM 689 N ASN A 369 86.583 25.253 -9.993 1.00 0.00 N ATOM 690 CA ASN A 369 87.376 25.401 -11.208 1.00 0.00 C ATOM 691 C ASN A 369 88.667 24.597 -11.107 1.00 0.00 C ATOM 692 O ASN A 369 89.759 25.132 -11.305 1.00 0.00 O ATOM 693 CB ASN A 369 87.706 26.877 -11.440 1.00 0.00 C ATOM 694 CG ASN A 369 86.455 27.626 -11.886 1.00 0.00 C ATOM 695 OD1 ASN A 369 85.617 27.987 -11.059 1.00 0.00 O ATOM 696 ND2 ASN A 369 86.276 27.884 -13.153 1.00 0.00 N ATOM 0 H ASN A 369 85.622 24.949 -10.147 1.00 0.00 H new ATOM 0 HA ASN A 369 86.793 25.024 -12.048 1.00 0.00 H new ATOM 0 HB2 ASN A 369 88.098 27.319 -10.524 1.00 0.00 H new ATOM 0 HB3 ASN A 369 88.485 26.970 -12.197 1.00 0.00 H new ATOM 0 HD21 ASN A 369 85.442 28.385 -13.459 1.00 0.00 H new ATOM 0 HD22 ASN A 369 86.970 27.585 -13.837 1.00 0.00 H new ATOM 703 N LEU A 370 88.537 23.311 -10.799 1.00 0.00 N ATOM 704 CA LEU A 370 89.704 22.444 -10.679 1.00 0.00 C ATOM 705 C LEU A 370 90.479 22.418 -11.992 1.00 0.00 C ATOM 706 O LEU A 370 89.962 21.979 -13.018 1.00 0.00 O ATOM 707 CB LEU A 370 89.268 21.021 -10.313 1.00 0.00 C ATOM 708 CG LEU A 370 88.303 21.059 -9.123 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.796 19.641 -8.829 1.00 0.00 C ATOM 710 CD2 LEU A 370 89.025 21.615 -7.886 1.00 0.00 C ATOM 0 H LEU A 370 87.644 22.849 -10.629 1.00 0.00 H new ATOM 0 HA LEU A 370 90.348 22.836 -9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.785 20.548 -11.168 1.00 0.00 H new ATOM 0 HB3 LEU A 370 90.141 20.417 -10.065 1.00 0.00 H new ATOM 0 HG LEU A 370 87.458 21.704 -9.365 1.00 0.00 H new ATOM 0 HD11 LEU A 370 87.110 19.668 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 370 87.277 19.251 -9.705 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.641 18.995 -8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 370 88.335 21.640 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.873 20.976 -7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 370 89.380 22.624 -8.095 1.00 0.00 H new ATOM 722 N LYS A 371 91.724 22.889 -11.955 1.00 0.00 N ATOM 723 CA LYS A 371 92.559 22.912 -13.153 1.00 0.00 C ATOM 724 C LYS A 371 93.229 21.559 -13.361 1.00 0.00 C ATOM 725 O LYS A 371 93.653 20.911 -12.404 1.00 0.00 O ATOM 726 CB LYS A 371 93.631 23.997 -13.021 1.00 0.00 C ATOM 727 CG LYS A 371 94.585 23.640 -11.880 1.00 0.00 C ATOM 728 CD LYS A 371 95.485 24.838 -11.573 1.00 0.00 C ATOM 729 CE LYS A 371 96.389 24.507 -10.384 1.00 0.00 C ATOM 730 NZ LYS A 371 95.549 24.254 -9.179 1.00 0.00 N ATOM 0 H LYS A 371 92.173 23.257 -11.116 1.00 0.00 H new ATOM 0 HA LYS A 371 91.925 23.129 -14.012 1.00 0.00 H new ATOM 0 HB2 LYS A 371 94.185 24.091 -13.955 1.00 0.00 H new ATOM 0 HB3 LYS A 371 93.164 24.963 -12.829 1.00 0.00 H new ATOM 0 HG2 LYS A 371 94.018 23.361 -10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 371 95.192 22.777 -12.155 1.00 0.00 H new ATOM 0 HD2 LYS A 371 96.090 25.085 -12.446 1.00 0.00 H new ATOM 0 HD3 LYS A 371 94.877 25.715 -11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 371 96.997 23.630 -10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 371 97.077 25.331 -10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 96.115 24.414 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 94.734 24.901 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 95.211 23.271 -9.192 1.00 0.00 H new ATOM 744 N ASN A 372 93.320 21.134 -14.619 1.00 0.00 N ATOM 745 CA ASN A 372 93.939 19.852 -14.937 1.00 0.00 C ATOM 746 C ASN A 372 93.420 18.764 -14.002 1.00 0.00 C ATOM 747 O ASN A 372 93.936 18.582 -12.900 1.00 0.00 O ATOM 748 CB ASN A 372 95.460 19.959 -14.806 1.00 0.00 C ATOM 749 CG ASN A 372 96.102 18.598 -15.057 1.00 0.00 C ATOM 750 OD1 ASN A 372 96.721 18.386 -16.099 1.00 0.00 O ATOM 751 ND2 ASN A 372 95.991 17.659 -14.158 1.00 0.00 N ATOM 0 H ASN A 372 92.976 21.653 -15.427 1.00 0.00 H new ATOM 0 HA ASN A 372 93.682 19.588 -15.963 1.00 0.00 H new ATOM 0 HB2 ASN A 372 95.844 20.689 -15.519 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.723 20.317 -13.811 1.00 0.00 H new ATOM 0 HD21 ASN A 372 96.418 16.747 -14.318 1.00 0.00 H new ATOM 0 HD22 ASN A 372 95.477 17.837 -13.295 1.00 0.00 H new ATOM 758 N TYR A 373 92.392 18.050 -14.448 1.00 0.00 N ATOM 759 CA TYR A 373 91.805 16.985 -13.640 1.00 0.00 C ATOM 760 C TYR A 373 91.053 15.994 -14.523 1.00 0.00 C ATOM 761 O TYR A 373 90.823 16.249 -15.704 1.00 0.00 O ATOM 762 CB TYR A 373 90.842 17.585 -12.616 1.00 0.00 C ATOM 763 CG TYR A 373 89.719 18.293 -13.339 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.953 19.530 -13.951 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.447 17.713 -13.401 1.00 0.00 C ATOM 766 CE1 TYR A 373 88.916 20.187 -14.623 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.408 18.369 -14.074 1.00 0.00 C ATOM 768 CZ TYR A 373 87.644 19.606 -14.684 1.00 0.00 C ATOM 769 OH TYR A 373 86.620 20.254 -15.347 1.00 0.00 O ATOM 0 H TYR A 373 91.950 18.187 -15.357 1.00 0.00 H new ATOM 0 HA TYR A 373 92.608 16.459 -13.125 1.00 0.00 H new ATOM 0 HB2 TYR A 373 90.439 16.800 -11.975 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.371 18.285 -11.969 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.935 19.978 -13.905 1.00 0.00 H new ATOM 0 HD2 TYR A 373 88.266 16.758 -12.929 1.00 0.00 H new ATOM 0 HE1 TYR A 373 89.097 21.142 -15.094 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.427 17.921 -14.122 1.00 0.00 H new ATOM 0 HH TYR A 373 85.804 19.714 -15.296 1.00 0.00 H new ATOM 779 N VAL A 374 90.673 14.858 -13.938 1.00 0.00 N ATOM 780 CA VAL A 374 89.946 13.823 -14.673 1.00 0.00 C ATOM 781 C VAL A 374 88.871 13.195 -13.790 1.00 0.00 C ATOM 782 O VAL A 374 89.137 12.808 -12.653 1.00 0.00 O ATOM 783 CB VAL A 374 90.918 12.738 -15.141 1.00 0.00 C ATOM 784 CG1 VAL A 374 90.236 11.853 -16.187 1.00 0.00 C ATOM 785 CG2 VAL A 374 92.154 13.395 -15.760 1.00 0.00 C ATOM 0 H VAL A 374 90.856 14.632 -12.960 1.00 0.00 H new ATOM 0 HA VAL A 374 89.469 14.284 -15.538 1.00 0.00 H new ATOM 0 HB VAL A 374 91.216 12.127 -14.289 1.00 0.00 H new ATOM 0 HG11 VAL A 374 90.930 11.081 -16.519 1.00 0.00 H new ATOM 0 HG12 VAL A 374 89.355 11.385 -15.749 1.00 0.00 H new ATOM 0 HG13 VAL A 374 89.936 12.462 -17.040 1.00 0.00 H new ATOM 0 HG21 VAL A 374 92.848 12.623 -16.094 1.00 0.00 H new ATOM 0 HG22 VAL A 374 91.854 14.006 -16.611 1.00 0.00 H new ATOM 0 HG23 VAL A 374 92.642 14.025 -15.016 1.00 0.00 H new ATOM 795 N VAL A 375 87.654 13.099 -14.326 1.00 0.00 N ATOM 796 CA VAL A 375 86.534 12.516 -13.585 1.00 0.00 C ATOM 797 C VAL A 375 86.411 11.026 -13.891 1.00 0.00 C ATOM 798 O VAL A 375 86.389 10.623 -15.054 1.00 0.00 O ATOM 799 CB VAL A 375 85.230 13.228 -13.968 1.00 0.00 C ATOM 800 CG1 VAL A 375 84.162 12.965 -12.902 1.00 0.00 C ATOM 801 CG2 VAL A 375 85.483 14.734 -14.071 1.00 0.00 C ATOM 0 H VAL A 375 87.419 13.416 -15.267 1.00 0.00 H new ATOM 0 HA VAL A 375 86.719 12.643 -12.518 1.00 0.00 H new ATOM 0 HB VAL A 375 84.882 12.847 -14.928 1.00 0.00 H new ATOM 0 HG11 VAL A 375 83.238 13.473 -13.179 1.00 0.00 H new ATOM 0 HG12 VAL A 375 83.978 11.893 -12.828 1.00 0.00 H new ATOM 0 HG13 VAL A 375 84.508 13.341 -11.939 1.00 0.00 H new ATOM 0 HG21 VAL A 375 84.557 15.241 -14.343 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.834 15.111 -13.110 1.00 0.00 H new ATOM 0 HG23 VAL A 375 86.238 14.925 -14.833 1.00 0.00 H new ATOM 811 N TYR A 376 86.331 10.209 -12.841 1.00 0.00 N ATOM 812 CA TYR A 376 86.211 8.761 -13.015 1.00 0.00 C ATOM 813 C TYR A 376 85.474 8.135 -11.836 1.00 0.00 C ATOM 814 O TYR A 376 85.077 8.827 -10.899 1.00 0.00 O ATOM 815 CB TYR A 376 87.597 8.128 -13.153 1.00 0.00 C ATOM 816 CG TYR A 376 88.432 8.443 -11.932 1.00 0.00 C ATOM 817 CD1 TYR A 376 88.909 9.743 -11.725 1.00 0.00 C ATOM 818 CD2 TYR A 376 88.741 7.431 -11.011 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.692 10.032 -10.602 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.521 7.722 -9.886 1.00 0.00 C ATOM 821 CZ TYR A 376 89.998 9.023 -9.682 1.00 0.00 C ATOM 822 OH TYR A 376 90.772 9.309 -8.576 1.00 0.00 O ATOM 0 H TYR A 376 86.347 10.521 -11.870 1.00 0.00 H new ATOM 0 HA TYR A 376 85.639 8.574 -13.924 1.00 0.00 H new ATOM 0 HB2 TYR A 376 87.503 7.049 -13.271 1.00 0.00 H new ATOM 0 HB3 TYR A 376 88.091 8.505 -14.049 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.672 10.524 -12.433 1.00 0.00 H new ATOM 0 HD2 TYR A 376 88.377 6.427 -11.170 1.00 0.00 H new ATOM 0 HE1 TYR A 376 90.061 11.035 -10.445 1.00 0.00 H new ATOM 0 HE2 TYR A 376 89.755 6.943 -9.175 1.00 0.00 H new ATOM 0 HH TYR A 376 90.707 10.265 -8.369 1.00 0.00 H new ATOM 832 N GLU A 377 85.298 6.816 -11.891 1.00 0.00 N ATOM 833 CA GLU A 377 84.606 6.087 -10.827 1.00 0.00 C ATOM 834 C GLU A 377 85.605 5.515 -9.827 1.00 0.00 C ATOM 835 O GLU A 377 86.697 5.088 -10.201 1.00 0.00 O ATOM 836 CB GLU A 377 83.782 4.949 -11.431 1.00 0.00 C ATOM 837 CG GLU A 377 84.720 3.916 -12.058 1.00 0.00 C ATOM 838 CD GLU A 377 83.924 2.950 -12.929 1.00 0.00 C ATOM 839 OE1 GLU A 377 83.627 3.308 -14.057 1.00 0.00 O ATOM 840 OE2 GLU A 377 83.623 1.867 -12.456 1.00 0.00 O ATOM 0 H GLU A 377 85.624 6.230 -12.659 1.00 0.00 H new ATOM 0 HA GLU A 377 83.947 6.782 -10.306 1.00 0.00 H new ATOM 0 HB2 GLU A 377 83.171 4.480 -10.660 1.00 0.00 H new ATOM 0 HB3 GLU A 377 83.099 5.341 -12.185 1.00 0.00 H new ATOM 0 HG2 GLU A 377 85.479 4.418 -12.658 1.00 0.00 H new ATOM 0 HG3 GLU A 377 85.244 3.366 -11.276 1.00 0.00 H new ATOM 847 N THR A 378 85.222 5.507 -8.550 1.00 0.00 N ATOM 848 CA THR A 378 86.088 4.982 -7.493 1.00 0.00 C ATOM 849 C THR A 378 85.247 4.245 -6.449 1.00 0.00 C ATOM 850 O THR A 378 84.056 4.017 -6.650 1.00 0.00 O ATOM 851 CB THR A 378 86.862 6.146 -6.827 1.00 0.00 C ATOM 852 OG1 THR A 378 86.948 7.228 -7.743 1.00 0.00 O ATOM 853 CG2 THR A 378 88.278 5.704 -6.438 1.00 0.00 C ATOM 0 H THR A 378 84.321 5.857 -8.223 1.00 0.00 H new ATOM 0 HA THR A 378 86.802 4.282 -7.928 1.00 0.00 H new ATOM 0 HB THR A 378 86.331 6.451 -5.925 1.00 0.00 H new ATOM 0 HG1 THR A 378 86.068 7.649 -7.836 1.00 0.00 H new ATOM 0 HG21 THR A 378 88.804 6.537 -5.972 1.00 0.00 H new ATOM 0 HG22 THR A 378 88.220 4.873 -5.735 1.00 0.00 H new ATOM 0 HG23 THR A 378 88.818 5.387 -7.330 1.00 0.00 H new ATOM 861 N THR A 379 85.880 3.879 -5.337 1.00 0.00 N ATOM 862 CA THR A 379 85.191 3.169 -4.257 1.00 0.00 C ATOM 863 C THR A 379 85.682 3.663 -2.903 1.00 0.00 C ATOM 864 O THR A 379 86.825 3.416 -2.518 1.00 0.00 O ATOM 865 CB THR A 379 85.448 1.664 -4.373 1.00 0.00 C ATOM 866 OG1 THR A 379 86.828 1.442 -4.635 1.00 0.00 O ATOM 867 CG2 THR A 379 84.611 1.083 -5.514 1.00 0.00 C ATOM 0 H THR A 379 86.868 4.061 -5.158 1.00 0.00 H new ATOM 0 HA THR A 379 84.122 3.362 -4.342 1.00 0.00 H new ATOM 0 HB THR A 379 85.169 1.176 -3.439 1.00 0.00 H new ATOM 0 HG1 THR A 379 87.368 1.994 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 379 84.797 0.012 -5.593 1.00 0.00 H new ATOM 0 HG22 THR A 379 83.553 1.254 -5.313 1.00 0.00 H new ATOM 0 HG23 THR A 379 84.885 1.569 -6.450 1.00 0.00 H new ATOM 875 N ARG A 380 84.811 4.364 -2.180 1.00 0.00 N ATOM 876 CA ARG A 380 85.160 4.895 -0.861 1.00 0.00 C ATOM 877 C ARG A 380 84.004 4.688 0.114 1.00 0.00 C ATOM 878 O ARG A 380 82.853 4.986 -0.202 1.00 0.00 O ATOM 879 CB ARG A 380 85.474 6.389 -0.975 1.00 0.00 C ATOM 880 CG ARG A 380 86.222 6.854 0.277 1.00 0.00 C ATOM 881 CD ARG A 380 86.190 8.382 0.358 1.00 0.00 C ATOM 882 NE ARG A 380 84.871 8.836 0.788 1.00 0.00 N ATOM 883 CZ ARG A 380 84.454 8.655 2.036 1.00 0.00 C ATOM 884 NH1 ARG A 380 85.230 8.064 2.904 1.00 0.00 N ATOM 885 NH2 ARG A 380 83.270 9.068 2.396 1.00 0.00 N ATOM 0 H ARG A 380 83.861 4.578 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 380 86.037 4.365 -0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 380 86.078 6.577 -1.863 1.00 0.00 H new ATOM 0 HB3 ARG A 380 84.551 6.957 -1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 380 85.764 6.423 1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 380 87.254 6.503 0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 380 86.949 8.732 1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 380 86.431 8.810 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 380 84.258 9.301 0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 380 86.156 7.741 2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 380 84.910 7.925 3.862 1.00 0.00 H new ATOM 0 HH21 ARG A 380 82.663 9.530 1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 380 82.951 8.928 3.355 1.00 0.00 H new ATOM 899 N ASN A 381 84.318 4.174 1.298 1.00 0.00 N ATOM 900 CA ASN A 381 83.295 3.930 2.308 1.00 0.00 C ATOM 901 C ASN A 381 82.237 2.973 1.774 1.00 0.00 C ATOM 902 O ASN A 381 81.044 3.278 1.789 1.00 0.00 O ATOM 903 CB ASN A 381 82.634 5.251 2.712 1.00 0.00 C ATOM 904 CG ASN A 381 81.847 5.067 4.005 1.00 0.00 C ATOM 905 OD1 ASN A 381 80.676 5.438 4.078 1.00 0.00 O ATOM 906 ND2 ASN A 381 82.424 4.513 5.036 1.00 0.00 N ATOM 0 H ASN A 381 85.265 3.920 1.581 1.00 0.00 H new ATOM 0 HA ASN A 381 83.770 3.481 3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 381 83.394 6.021 2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 381 81.970 5.593 1.918 1.00 0.00 H new ATOM 0 HD21 ASN A 381 81.904 4.387 5.905 1.00 0.00 H new ATOM 0 HD22 ASN A 381 83.395 4.206 4.973 1.00 0.00 H new ATOM 913 N GLY A 382 82.683 1.810 1.304 1.00 0.00 N ATOM 914 CA GLY A 382 81.769 0.804 0.765 1.00 0.00 C ATOM 915 C GLY A 382 80.651 1.450 -0.048 1.00 0.00 C ATOM 916 O GLY A 382 79.481 1.089 0.092 1.00 0.00 O ATOM 0 H GLY A 382 83.667 1.541 1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 382 82.322 0.106 0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 382 81.339 0.225 1.582 1.00 0.00 H new ATOM 920 N GLN A 383 81.015 2.406 -0.898 1.00 0.00 N ATOM 921 CA GLN A 383 80.033 3.096 -1.727 1.00 0.00 C ATOM 922 C GLN A 383 80.727 3.786 -2.913 1.00 0.00 C ATOM 923 O GLN A 383 81.521 4.703 -2.705 1.00 0.00 O ATOM 924 CB GLN A 383 79.304 4.148 -0.891 1.00 0.00 C ATOM 925 CG GLN A 383 78.067 4.637 -1.647 1.00 0.00 C ATOM 926 CD GLN A 383 77.008 3.540 -1.684 1.00 0.00 C ATOM 927 OE1 GLN A 383 77.029 2.629 -0.856 1.00 0.00 O ATOM 928 NE2 GLN A 383 76.079 3.572 -2.599 1.00 0.00 N ATOM 0 H GLN A 383 81.977 2.719 -1.030 1.00 0.00 H new ATOM 0 HA GLN A 383 79.319 2.364 -2.106 1.00 0.00 H new ATOM 0 HB2 GLN A 383 79.012 3.725 0.070 1.00 0.00 H new ATOM 0 HB3 GLN A 383 79.969 4.986 -0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 383 77.664 5.527 -1.163 1.00 0.00 H new ATOM 0 HG3 GLN A 383 78.341 4.923 -2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 383 76.064 4.328 -3.284 1.00 0.00 H new ATOM 0 HE22 GLN A 383 75.368 2.841 -2.630 1.00 0.00 H new ATOM 937 N PRO A 384 80.463 3.384 -4.143 1.00 0.00 N ATOM 938 CA PRO A 384 81.106 4.014 -5.333 1.00 0.00 C ATOM 939 C PRO A 384 81.185 5.536 -5.217 1.00 0.00 C ATOM 940 O PRO A 384 80.207 6.191 -4.855 1.00 0.00 O ATOM 941 CB PRO A 384 80.199 3.588 -6.490 1.00 0.00 C ATOM 942 CG PRO A 384 79.665 2.255 -6.076 1.00 0.00 C ATOM 943 CD PRO A 384 79.537 2.302 -4.547 1.00 0.00 C ATOM 0 HA PRO A 384 82.142 3.699 -5.458 1.00 0.00 H new ATOM 0 HB2 PRO A 384 79.394 4.306 -6.649 1.00 0.00 H new ATOM 0 HB3 PRO A 384 80.754 3.520 -7.425 1.00 0.00 H new ATOM 0 HG2 PRO A 384 78.699 2.061 -6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 384 80.335 1.453 -6.386 1.00 0.00 H new ATOM 0 HD2 PRO A 384 78.514 2.516 -4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 384 79.814 1.350 -4.094 1.00 0.00 H new ATOM 951 N TRP A 385 82.358 6.093 -5.524 1.00 0.00 N ATOM 952 CA TRP A 385 82.558 7.542 -5.449 1.00 0.00 C ATOM 953 C TRP A 385 83.540 8.007 -6.527 1.00 0.00 C ATOM 954 O TRP A 385 84.433 7.270 -6.929 1.00 0.00 O ATOM 955 CB TRP A 385 83.073 7.919 -4.041 1.00 0.00 C ATOM 956 CG TRP A 385 83.815 9.226 -4.072 1.00 0.00 C ATOM 957 CD1 TRP A 385 85.097 9.396 -3.679 1.00 0.00 C ATOM 958 CD2 TRP A 385 83.349 10.533 -4.519 1.00 0.00 C ATOM 959 NE1 TRP A 385 85.451 10.721 -3.863 1.00 0.00 N ATOM 960 CE2 TRP A 385 84.407 11.464 -4.378 1.00 0.00 C ATOM 961 CE3 TRP A 385 82.124 10.996 -5.031 1.00 0.00 C ATOM 962 CZ2 TRP A 385 84.255 12.805 -4.733 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.968 12.345 -5.387 1.00 0.00 C ATOM 964 CH2 TRP A 385 83.033 13.247 -5.239 1.00 0.00 C ATOM 0 H TRP A 385 83.179 5.567 -5.825 1.00 0.00 H new ATOM 0 HA TRP A 385 81.606 8.043 -5.625 1.00 0.00 H new ATOM 0 HB2 TRP A 385 82.233 7.989 -3.349 1.00 0.00 H new ATOM 0 HB3 TRP A 385 83.729 7.133 -3.667 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.741 8.623 -3.285 1.00 0.00 H new ATOM 0 HE1 TRP A 385 86.371 11.103 -3.645 1.00 0.00 H new ATOM 0 HE3 TRP A 385 81.299 10.310 -5.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 85.077 13.495 -4.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 81.022 12.691 -5.777 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.906 14.283 -5.517 1.00 0.00 H new ATOM 975 N TYR A 386 83.358 9.247 -6.981 1.00 0.00 N ATOM 976 CA TYR A 386 84.228 9.832 -8.001 1.00 0.00 C ATOM 977 C TYR A 386 85.211 10.798 -7.337 1.00 0.00 C ATOM 978 O TYR A 386 84.961 12.002 -7.272 1.00 0.00 O ATOM 979 CB TYR A 386 83.381 10.578 -9.043 1.00 0.00 C ATOM 980 CG TYR A 386 82.098 9.817 -9.292 1.00 0.00 C ATOM 981 CD1 TYR A 386 81.054 9.890 -8.363 1.00 0.00 C ATOM 982 CD2 TYR A 386 81.951 9.042 -10.450 1.00 0.00 C ATOM 983 CE1 TYR A 386 79.864 9.188 -8.590 1.00 0.00 C ATOM 984 CE2 TYR A 386 80.761 8.340 -10.676 1.00 0.00 C ATOM 985 CZ TYR A 386 79.718 8.413 -9.746 1.00 0.00 C ATOM 986 OH TYR A 386 78.544 7.721 -9.969 1.00 0.00 O ATOM 0 H TYR A 386 82.615 9.866 -6.658 1.00 0.00 H new ATOM 0 HA TYR A 386 84.784 9.040 -8.502 1.00 0.00 H new ATOM 0 HB2 TYR A 386 83.156 11.585 -8.691 1.00 0.00 H new ATOM 0 HB3 TYR A 386 83.940 10.683 -9.973 1.00 0.00 H new ATOM 0 HD1 TYR A 386 81.166 10.488 -7.471 1.00 0.00 H new ATOM 0 HD2 TYR A 386 82.756 8.986 -11.168 1.00 0.00 H new ATOM 0 HE1 TYR A 386 79.059 9.245 -7.873 1.00 0.00 H new ATOM 0 HE2 TYR A 386 80.648 7.742 -11.568 1.00 0.00 H new ATOM 0 HH TYR A 386 78.607 7.234 -10.817 1.00 0.00 H new ATOM 996 N VAL A 387 86.323 10.265 -6.838 1.00 0.00 N ATOM 997 CA VAL A 387 87.324 11.093 -6.173 1.00 0.00 C ATOM 998 C VAL A 387 88.230 11.758 -7.199 1.00 0.00 C ATOM 999 O VAL A 387 88.722 11.110 -8.123 1.00 0.00 O ATOM 1000 CB VAL A 387 88.168 10.240 -5.220 1.00 0.00 C ATOM 1001 CG1 VAL A 387 89.034 9.269 -6.024 1.00 0.00 C ATOM 1002 CG2 VAL A 387 89.069 11.153 -4.384 1.00 0.00 C ATOM 0 H VAL A 387 86.552 9.272 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 387 86.807 11.865 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 387 87.508 9.674 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 387 89.632 8.665 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 387 88.394 8.618 -6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 387 89.694 9.831 -6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.670 10.548 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 387 89.726 11.719 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 387 88.453 11.842 -3.807 1.00 0.00 H new ATOM 1012 N LEU A 388 88.446 13.059 -7.029 1.00 0.00 N ATOM 1013 CA LEU A 388 89.293 13.823 -7.941 1.00 0.00 C ATOM 1014 C LEU A 388 90.699 13.964 -7.361 1.00 0.00 C ATOM 1015 O LEU A 388 90.887 13.937 -6.146 1.00 0.00 O ATOM 1016 CB LEU A 388 88.686 15.216 -8.163 1.00 0.00 C ATOM 1017 CG LEU A 388 87.534 15.150 -9.182 1.00 0.00 C ATOM 1018 CD1 LEU A 388 88.069 14.867 -10.601 1.00 0.00 C ATOM 1019 CD2 LEU A 388 86.549 14.049 -8.773 1.00 0.00 C ATOM 0 H LEU A 388 88.046 13.607 -6.268 1.00 0.00 H new ATOM 0 HA LEU A 388 89.354 13.296 -8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.319 15.614 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.455 15.901 -8.520 1.00 0.00 H new ATOM 0 HG LEU A 388 87.026 16.114 -9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 388 87.236 14.825 -11.302 1.00 0.00 H new ATOM 0 HD12 LEU A 388 88.753 15.662 -10.897 1.00 0.00 H new ATOM 0 HD13 LEU A 388 88.597 13.913 -10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 388 85.734 14.003 -9.495 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.066 13.090 -8.748 1.00 0.00 H new ATOM 0 HD23 LEU A 388 86.146 14.270 -7.785 1.00 0.00 H new ATOM 1031 N VAL A 389 91.678 14.114 -8.246 1.00 0.00 N ATOM 1032 CA VAL A 389 93.070 14.261 -7.826 1.00 0.00 C ATOM 1033 C VAL A 389 93.842 15.107 -8.834 1.00 0.00 C ATOM 1034 O VAL A 389 93.627 15.000 -10.040 1.00 0.00 O ATOM 1035 CB VAL A 389 93.729 12.886 -7.707 1.00 0.00 C ATOM 1036 CG1 VAL A 389 93.122 12.124 -6.525 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.492 12.096 -8.996 1.00 0.00 C ATOM 0 H VAL A 389 91.536 14.137 -9.256 1.00 0.00 H new ATOM 0 HA VAL A 389 93.087 14.757 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 389 94.800 13.011 -7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.593 11.145 -6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.289 12.686 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 389 92.051 11.999 -6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 389 93.961 11.116 -8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.421 11.974 -9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 389 93.925 12.635 -9.838 1.00 0.00 H new ATOM 1047 N SER A 390 94.744 15.947 -8.330 1.00 0.00 N ATOM 1048 CA SER A 390 95.548 16.810 -9.196 1.00 0.00 C ATOM 1049 C SER A 390 96.859 16.124 -9.568 1.00 0.00 C ATOM 1050 O SER A 390 97.783 16.050 -8.759 1.00 0.00 O ATOM 1051 CB SER A 390 95.843 18.129 -8.482 1.00 0.00 C ATOM 1052 OG SER A 390 94.668 18.579 -7.821 1.00 0.00 O ATOM 0 H SER A 390 94.936 16.049 -7.334 1.00 0.00 H new ATOM 0 HA SER A 390 94.985 17.008 -10.108 1.00 0.00 H new ATOM 0 HB2 SER A 390 96.650 17.993 -7.762 1.00 0.00 H new ATOM 0 HB3 SER A 390 96.179 18.877 -9.200 1.00 0.00 H new ATOM 0 HG SER A 390 94.855 19.424 -7.361 1.00 0.00 H new ATOM 1058 N GLY A 391 96.931 15.628 -10.799 1.00 0.00 N ATOM 1059 CA GLY A 391 98.133 14.951 -11.271 1.00 0.00 C ATOM 1060 C GLY A 391 98.623 13.931 -10.249 1.00 0.00 C ATOM 1061 O GLY A 391 97.840 13.140 -9.722 1.00 0.00 O ATOM 0 H GLY A 391 96.177 15.681 -11.483 1.00 0.00 H new ATOM 0 HA2 GLY A 391 97.926 14.452 -12.218 1.00 0.00 H new ATOM 0 HA3 GLY A 391 98.916 15.684 -11.462 1.00 0.00 H new ATOM 1065 N VAL A 392 99.923 13.954 -9.972 1.00 0.00 N ATOM 1066 CA VAL A 392 100.510 13.025 -9.011 1.00 0.00 C ATOM 1067 C VAL A 392 101.817 13.583 -8.455 1.00 0.00 C ATOM 1068 O VAL A 392 102.550 14.285 -9.152 1.00 0.00 O ATOM 1069 CB VAL A 392 100.775 11.677 -9.684 1.00 0.00 C ATOM 1070 CG1 VAL A 392 101.807 11.855 -10.798 1.00 0.00 C ATOM 1071 CG2 VAL A 392 101.311 10.687 -8.647 1.00 0.00 C ATOM 0 H VAL A 392 100.587 14.602 -10.396 1.00 0.00 H new ATOM 0 HA VAL A 392 99.807 12.890 -8.189 1.00 0.00 H new ATOM 0 HB VAL A 392 99.846 11.295 -10.108 1.00 0.00 H new ATOM 0 HG11 VAL A 392 101.995 10.894 -11.277 1.00 0.00 H new ATOM 0 HG12 VAL A 392 101.427 12.560 -11.537 1.00 0.00 H new ATOM 0 HG13 VAL A 392 102.736 12.238 -10.376 1.00 0.00 H new ATOM 0 HG21 VAL A 392 101.500 9.726 -9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 392 102.239 11.071 -8.224 1.00 0.00 H new ATOM 0 HG23 VAL A 392 100.576 10.558 -7.853 1.00 0.00 H new ATOM 1081 N TYR A 393 102.102 13.264 -7.193 1.00 0.00 N ATOM 1082 CA TYR A 393 103.325 13.734 -6.537 1.00 0.00 C ATOM 1083 C TYR A 393 104.367 12.620 -6.486 1.00 0.00 C ATOM 1084 O TYR A 393 104.062 11.490 -6.103 1.00 0.00 O ATOM 1085 CB TYR A 393 103.005 14.196 -5.115 1.00 0.00 C ATOM 1086 CG TYR A 393 102.034 15.352 -5.169 1.00 0.00 C ATOM 1087 CD1 TYR A 393 102.483 16.626 -5.535 1.00 0.00 C ATOM 1088 CD2 TYR A 393 100.683 15.150 -4.854 1.00 0.00 C ATOM 1089 CE1 TYR A 393 101.583 17.698 -5.586 1.00 0.00 C ATOM 1090 CE2 TYR A 393 99.784 16.222 -4.905 1.00 0.00 C ATOM 1091 CZ TYR A 393 100.234 17.496 -5.271 1.00 0.00 C ATOM 1092 OH TYR A 393 99.348 18.552 -5.321 1.00 0.00 O ATOM 0 H TYR A 393 101.505 12.683 -6.604 1.00 0.00 H new ATOM 0 HA TYR A 393 103.728 14.568 -7.112 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.577 13.374 -4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.919 14.498 -4.605 1.00 0.00 H new ATOM 0 HD1 TYR A 393 103.524 16.783 -5.778 1.00 0.00 H new ATOM 0 HD2 TYR A 393 100.336 14.167 -4.572 1.00 0.00 H new ATOM 0 HE1 TYR A 393 101.930 18.681 -5.868 1.00 0.00 H new ATOM 0 HE2 TYR A 393 98.743 16.066 -4.662 1.00 0.00 H new ATOM 0 HH TYR A 393 98.452 18.240 -5.074 1.00 0.00 H new ATOM 1102 N ALA A 394 105.597 12.947 -6.870 1.00 0.00 N ATOM 1103 CA ALA A 394 106.675 11.965 -6.862 1.00 0.00 C ATOM 1104 C ALA A 394 107.042 11.586 -5.431 1.00 0.00 C ATOM 1105 O ALA A 394 107.808 10.650 -5.202 1.00 0.00 O ATOM 1106 CB ALA A 394 107.905 12.534 -7.573 1.00 0.00 C ATOM 0 H ALA A 394 105.871 13.877 -7.188 1.00 0.00 H new ATOM 0 HA ALA A 394 106.333 11.073 -7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 394 108.706 11.795 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 394 107.649 12.777 -8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.238 13.436 -7.059 1.00 0.00 H new ATOM 1112 N SER A 395 106.487 12.320 -4.471 1.00 0.00 N ATOM 1113 CA SER A 395 106.758 12.052 -3.063 1.00 0.00 C ATOM 1114 C SER A 395 105.710 12.725 -2.185 1.00 0.00 C ATOM 1115 O SER A 395 104.977 13.602 -2.640 1.00 0.00 O ATOM 1116 CB SER A 395 108.149 12.570 -2.690 1.00 0.00 C ATOM 1117 OG SER A 395 108.071 13.961 -2.407 1.00 0.00 O ATOM 0 H SER A 395 105.851 13.099 -4.641 1.00 0.00 H new ATOM 0 HA SER A 395 106.718 10.975 -2.901 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.530 12.031 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 395 108.847 12.392 -3.508 1.00 0.00 H new ATOM 0 HG SER A 395 107.348 14.362 -2.933 1.00 0.00 H new ATOM 1123 N LYS A 396 105.642 12.308 -0.925 1.00 0.00 N ATOM 1124 CA LYS A 396 104.676 12.878 0.006 1.00 0.00 C ATOM 1125 C LYS A 396 105.149 14.245 0.495 1.00 0.00 C ATOM 1126 O LYS A 396 104.465 14.912 1.270 1.00 0.00 O ATOM 1127 CB LYS A 396 104.485 11.934 1.201 1.00 0.00 C ATOM 1128 CG LYS A 396 103.170 12.256 1.921 1.00 0.00 C ATOM 1129 CD LYS A 396 102.931 11.228 3.028 1.00 0.00 C ATOM 1130 CE LYS A 396 101.510 11.383 3.571 1.00 0.00 C ATOM 1131 NZ LYS A 396 101.369 12.718 4.219 1.00 0.00 N ATOM 0 H LYS A 396 106.239 11.583 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 396 103.724 13.002 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 396 104.478 10.899 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 396 105.322 12.036 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 396 103.211 13.260 2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 396 102.342 12.243 1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 396 103.075 10.220 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 396 103.655 11.367 3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 396 100.787 11.281 2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 396 101.296 10.593 4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 100.474 12.754 4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 102.164 12.873 4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 101.371 13.460 3.490 1.00 0.00 H new ATOM 1145 N GLU A 397 106.328 14.655 0.038 1.00 0.00 N ATOM 1146 CA GLU A 397 106.886 15.943 0.437 1.00 0.00 C ATOM 1147 C GLU A 397 106.087 17.092 -0.171 1.00 0.00 C ATOM 1148 O GLU A 397 105.234 17.684 0.490 1.00 0.00 O ATOM 1149 CB GLU A 397 108.345 16.039 -0.010 1.00 0.00 C ATOM 1150 CG GLU A 397 109.141 14.881 0.592 1.00 0.00 C ATOM 1151 CD GLU A 397 109.339 15.106 2.087 1.00 0.00 C ATOM 1152 OE1 GLU A 397 109.935 16.111 2.441 1.00 0.00 O ATOM 1153 OE2 GLU A 397 108.893 14.271 2.856 1.00 0.00 O ATOM 0 H GLU A 397 106.912 14.119 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 397 106.832 16.018 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 397 108.406 16.009 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 397 108.771 16.991 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 397 108.615 13.941 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 397 110.109 14.798 0.097 1.00 0.00 H new ATOM 1160 N GLU A 398 106.370 17.405 -1.433 1.00 0.00 N ATOM 1161 CA GLU A 398 105.670 18.491 -2.113 1.00 0.00 C ATOM 1162 C GLU A 398 104.162 18.265 -2.076 1.00 0.00 C ATOM 1163 O GLU A 398 103.381 19.207 -2.206 1.00 0.00 O ATOM 1164 CB GLU A 398 106.137 18.596 -3.570 1.00 0.00 C ATOM 1165 CG GLU A 398 106.023 17.231 -4.264 1.00 0.00 C ATOM 1166 CD GLU A 398 107.205 16.338 -3.891 1.00 0.00 C ATOM 1167 OE1 GLU A 398 108.128 16.834 -3.268 1.00 0.00 O ATOM 1168 OE2 GLU A 398 107.166 15.168 -4.235 1.00 0.00 O ATOM 0 H GLU A 398 107.071 16.928 -2.000 1.00 0.00 H new ATOM 0 HA GLU A 398 105.901 19.421 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 398 105.534 19.333 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 398 107.169 18.944 -3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 398 105.090 16.747 -3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 398 105.991 17.368 -5.345 1.00 0.00 H new ATOM 1175 N ALA A 399 103.760 17.011 -1.901 1.00 0.00 N ATOM 1176 CA ALA A 399 102.342 16.674 -1.852 1.00 0.00 C ATOM 1177 C ALA A 399 101.666 17.360 -0.668 1.00 0.00 C ATOM 1178 O ALA A 399 100.545 17.856 -0.782 1.00 0.00 O ATOM 1179 CB ALA A 399 102.172 15.157 -1.735 1.00 0.00 C ATOM 0 H ALA A 399 104.390 16.217 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 399 101.872 17.023 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.111 14.912 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.627 14.672 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.657 14.806 -0.824 1.00 0.00 H new ATOM 1185 N LYS A 400 102.354 17.383 0.469 1.00 0.00 N ATOM 1186 CA LYS A 400 101.809 18.009 1.668 1.00 0.00 C ATOM 1187 C LYS A 400 101.852 19.529 1.548 1.00 0.00 C ATOM 1188 O LYS A 400 100.929 20.222 1.978 1.00 0.00 O ATOM 1189 CB LYS A 400 102.610 17.570 2.895 1.00 0.00 C ATOM 1190 CG LYS A 400 101.895 18.042 4.167 1.00 0.00 C ATOM 1191 CD LYS A 400 102.578 17.450 5.412 1.00 0.00 C ATOM 1192 CE LYS A 400 103.824 18.268 5.772 1.00 0.00 C ATOM 1193 NZ LYS A 400 103.441 19.693 5.988 1.00 0.00 N ATOM 0 H LYS A 400 103.283 16.979 0.585 1.00 0.00 H new ATOM 0 HA LYS A 400 100.771 17.695 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 400 102.715 16.485 2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 400 103.616 17.987 2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 400 101.910 19.131 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 400 100.849 17.738 4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 400 101.882 17.446 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 400 102.857 16.413 5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 400 104.288 17.865 6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 400 104.562 18.196 4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 104.064 20.115 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 103.537 20.218 5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 102.454 19.742 6.313 1.00 0.00 H new ATOM 1207 N LYS A 401 102.930 20.041 0.962 1.00 0.00 N ATOM 1208 CA LYS A 401 103.085 21.482 0.791 1.00 0.00 C ATOM 1209 C LYS A 401 102.268 21.972 -0.401 1.00 0.00 C ATOM 1210 O LYS A 401 101.882 23.139 -0.463 1.00 0.00 O ATOM 1211 CB LYS A 401 104.565 21.828 0.583 1.00 0.00 C ATOM 1212 CG LYS A 401 104.808 23.327 0.850 1.00 0.00 C ATOM 1213 CD LYS A 401 105.086 23.562 2.340 1.00 0.00 C ATOM 1214 CE LYS A 401 105.329 25.053 2.586 1.00 0.00 C ATOM 1215 NZ LYS A 401 106.318 25.566 1.596 1.00 0.00 N ATOM 0 H LYS A 401 103.704 19.484 0.600 1.00 0.00 H new ATOM 0 HA LYS A 401 102.721 21.978 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 401 105.183 21.228 1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 401 104.864 21.580 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 401 105.652 23.677 0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 401 103.937 23.905 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 401 104.242 23.217 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 401 105.955 22.984 2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 401 104.393 25.604 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 401 105.698 25.210 3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 106.810 26.392 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 107.011 24.821 1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 105.824 25.843 0.724 1.00 0.00 H new ATOM 1229 N ALA A 402 102.012 21.074 -1.347 1.00 0.00 N ATOM 1230 CA ALA A 402 101.242 21.429 -2.534 1.00 0.00 C ATOM 1231 C ALA A 402 99.823 21.837 -2.151 1.00 0.00 C ATOM 1232 O ALA A 402 99.183 22.623 -2.849 1.00 0.00 O ATOM 1233 CB ALA A 402 101.192 20.241 -3.500 1.00 0.00 C ATOM 0 H ALA A 402 102.323 20.103 -1.316 1.00 0.00 H new ATOM 0 HA ALA A 402 101.730 22.273 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 402 100.615 20.515 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 402 102.205 19.971 -3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 402 100.720 19.391 -3.007 1.00 0.00 H new ATOM 1239 N VAL A 403 99.337 21.300 -1.038 1.00 0.00 N ATOM 1240 CA VAL A 403 97.991 21.618 -0.573 1.00 0.00 C ATOM 1241 C VAL A 403 97.758 23.125 -0.599 1.00 0.00 C ATOM 1242 O VAL A 403 96.668 23.588 -0.935 1.00 0.00 O ATOM 1243 CB VAL A 403 97.793 21.091 0.849 1.00 0.00 C ATOM 1244 CG1 VAL A 403 96.411 21.503 1.360 1.00 0.00 C ATOM 1245 CG2 VAL A 403 97.899 19.564 0.846 1.00 0.00 C ATOM 0 H VAL A 403 99.849 20.648 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 403 97.273 21.141 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 403 98.561 21.509 1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 403 96.271 21.127 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 403 96.333 22.590 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 403 95.643 21.086 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 403 97.758 19.188 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 403 97.131 19.147 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 403 98.883 19.268 0.483 1.00 0.00 H new ATOM 1255 N SER A 404 98.788 23.884 -0.241 1.00 0.00 N ATOM 1256 CA SER A 404 98.686 25.339 -0.225 1.00 0.00 C ATOM 1257 C SER A 404 98.124 25.857 -1.545 1.00 0.00 C ATOM 1258 O SER A 404 97.385 26.841 -1.571 1.00 0.00 O ATOM 1259 CB SER A 404 100.064 25.955 0.020 1.00 0.00 C ATOM 1260 OG SER A 404 100.846 25.839 -1.161 1.00 0.00 O ATOM 0 H SER A 404 99.698 23.519 0.040 1.00 0.00 H new ATOM 0 HA SER A 404 98.009 25.626 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 404 99.962 27.003 0.301 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.559 25.449 0.849 1.00 0.00 H new ATOM 0 HG SER A 404 101.314 24.978 -1.160 1.00 0.00 H new ATOM 1266 N THR A 405 98.481 25.192 -2.638 1.00 0.00 N ATOM 1267 CA THR A 405 98.006 25.600 -3.956 1.00 0.00 C ATOM 1268 C THR A 405 96.481 25.592 -4.004 1.00 0.00 C ATOM 1269 O THR A 405 95.858 26.580 -4.394 1.00 0.00 O ATOM 1270 CB THR A 405 98.556 24.655 -5.026 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.056 23.345 -4.802 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.084 24.640 -4.960 1.00 0.00 C ATOM 0 H THR A 405 99.092 24.375 -2.639 1.00 0.00 H new ATOM 0 HA THR A 405 98.359 26.613 -4.149 1.00 0.00 H new ATOM 0 HB THR A 405 98.242 24.999 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.227 23.084 -3.873 1.00 0.00 H new ATOM 0 HG21 THR A 405 100.475 23.966 -5.723 1.00 0.00 H new ATOM 0 HG22 THR A 405 100.466 25.646 -5.134 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.402 24.297 -3.976 1.00 0.00 H new ATOM 1280 N LEU A 406 95.886 24.473 -3.607 1.00 0.00 N ATOM 1281 CA LEU A 406 94.432 24.349 -3.613 1.00 0.00 C ATOM 1282 C LEU A 406 93.795 25.552 -2.908 1.00 0.00 C ATOM 1283 O LEU A 406 94.377 26.099 -1.970 1.00 0.00 O ATOM 1284 CB LEU A 406 94.016 23.056 -2.898 1.00 0.00 C ATOM 1285 CG LEU A 406 94.915 21.897 -3.343 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.355 20.583 -2.795 1.00 0.00 C ATOM 1287 CD2 LEU A 406 94.956 21.832 -4.875 1.00 0.00 C ATOM 0 H LEU A 406 96.382 23.644 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 406 94.088 24.319 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.088 23.189 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 406 92.974 22.826 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 406 95.924 22.055 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 406 94.992 19.757 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 406 94.327 20.625 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.346 20.430 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 406 95.596 21.007 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 406 93.948 21.675 -5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 406 95.353 22.768 -5.268 1.00 0.00 H new ATOM 1299 N PRO A 407 92.621 25.977 -3.325 1.00 0.00 N ATOM 1300 CA PRO A 407 91.925 27.140 -2.693 1.00 0.00 C ATOM 1301 C PRO A 407 91.372 26.788 -1.312 1.00 0.00 C ATOM 1302 O PRO A 407 91.574 25.680 -0.816 1.00 0.00 O ATOM 1303 CB PRO A 407 90.799 27.465 -3.683 1.00 0.00 C ATOM 1304 CG PRO A 407 90.492 26.163 -4.347 1.00 0.00 C ATOM 1305 CD PRO A 407 91.823 25.410 -4.432 1.00 0.00 C ATOM 0 HA PRO A 407 92.593 27.984 -2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 407 89.924 27.864 -3.170 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.114 28.215 -4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 407 89.758 25.596 -3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.069 26.321 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 407 91.683 24.335 -4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 407 92.309 25.564 -5.395 1.00 0.00 H new ATOM 1313 N ALA A 408 90.674 27.739 -0.700 1.00 0.00 N ATOM 1314 CA ALA A 408 90.097 27.516 0.621 1.00 0.00 C ATOM 1315 C ALA A 408 89.000 26.458 0.557 1.00 0.00 C ATOM 1316 O ALA A 408 89.047 25.458 1.273 1.00 0.00 O ATOM 1317 CB ALA A 408 89.516 28.823 1.164 1.00 0.00 C ATOM 0 H ALA A 408 90.495 28.663 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 408 90.886 27.164 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 408 89.087 28.648 2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.307 29.569 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 408 88.740 29.184 0.490 1.00 0.00 H new ATOM 1323 N ASP A 409 88.013 26.686 -0.303 1.00 0.00 N ATOM 1324 CA ASP A 409 86.903 25.746 -0.452 1.00 0.00 C ATOM 1325 C ASP A 409 87.405 24.304 -0.461 1.00 0.00 C ATOM 1326 O ASP A 409 86.712 23.394 -0.005 1.00 0.00 O ATOM 1327 CB ASP A 409 86.151 26.033 -1.753 1.00 0.00 C ATOM 1328 CG ASP A 409 85.488 27.404 -1.682 1.00 0.00 C ATOM 1329 OD1 ASP A 409 86.075 28.293 -1.088 1.00 0.00 O ATOM 1330 OD2 ASP A 409 84.404 27.545 -2.222 1.00 0.00 O ATOM 0 H ASP A 409 87.957 27.508 -0.905 1.00 0.00 H new ATOM 0 HA ASP A 409 86.232 25.874 0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 409 86.840 25.997 -2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 409 85.397 25.264 -1.924 1.00 0.00 H new ATOM 1335 N VAL A 410 88.612 24.100 -0.986 1.00 0.00 N ATOM 1336 CA VAL A 410 89.199 22.761 -1.054 1.00 0.00 C ATOM 1337 C VAL A 410 90.049 22.481 0.183 1.00 0.00 C ATOM 1338 O VAL A 410 90.011 21.382 0.738 1.00 0.00 O ATOM 1339 CB VAL A 410 90.066 22.638 -2.308 1.00 0.00 C ATOM 1340 CG1 VAL A 410 90.747 21.268 -2.328 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.184 22.785 -3.551 1.00 0.00 C ATOM 0 H VAL A 410 89.201 24.840 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 410 88.390 22.032 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 410 90.825 23.420 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.364 21.182 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.373 21.160 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 410 89.989 20.485 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 410 89.800 22.698 -4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 410 88.426 22.002 -3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 410 88.698 23.760 -3.539 1.00 0.00 H new ATOM 1351 N GLN A 411 90.819 23.477 0.607 1.00 0.00 N ATOM 1352 CA GLN A 411 91.679 23.324 1.777 1.00 0.00 C ATOM 1353 C GLN A 411 90.846 23.091 3.034 1.00 0.00 C ATOM 1354 O GLN A 411 91.110 22.167 3.802 1.00 0.00 O ATOM 1355 CB GLN A 411 92.542 24.574 1.959 1.00 0.00 C ATOM 1356 CG GLN A 411 93.680 24.276 2.939 1.00 0.00 C ATOM 1357 CD GLN A 411 94.316 25.579 3.410 1.00 0.00 C ATOM 1358 OE1 GLN A 411 93.831 26.201 4.355 1.00 0.00 O ATOM 1359 NE2 GLN A 411 95.379 26.032 2.804 1.00 0.00 N ATOM 0 H GLN A 411 90.866 24.394 0.162 1.00 0.00 H new ATOM 0 HA GLN A 411 92.322 22.458 1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 411 92.949 24.890 0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.933 25.397 2.333 1.00 0.00 H new ATOM 0 HG2 GLN A 411 93.298 23.718 3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 411 94.430 23.648 2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 411 95.779 25.515 2.021 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.810 26.903 3.113 1.00 0.00 H new ATOM 1368 N ALA A 412 89.840 23.935 3.238 1.00 0.00 N ATOM 1369 CA ALA A 412 88.977 23.811 4.406 1.00 0.00 C ATOM 1370 C ALA A 412 88.319 22.435 4.444 1.00 0.00 C ATOM 1371 O ALA A 412 87.702 22.059 5.441 1.00 0.00 O ATOM 1372 CB ALA A 412 87.898 24.895 4.376 1.00 0.00 C ATOM 0 H ALA A 412 89.604 24.707 2.614 1.00 0.00 H new ATOM 0 HA ALA A 412 89.589 23.933 5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 412 87.257 24.795 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 412 88.369 25.878 4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 412 87.297 24.786 3.473 1.00 0.00 H new ATOM 1378 N LYS A 413 88.452 21.689 3.351 1.00 0.00 N ATOM 1379 CA LYS A 413 87.866 20.355 3.268 1.00 0.00 C ATOM 1380 C LYS A 413 88.781 19.328 3.933 1.00 0.00 C ATOM 1381 O LYS A 413 88.484 18.134 3.954 1.00 0.00 O ATOM 1382 CB LYS A 413 87.644 19.977 1.793 1.00 0.00 C ATOM 1383 CG LYS A 413 86.579 18.868 1.677 1.00 0.00 C ATOM 1384 CD LYS A 413 85.175 19.486 1.606 1.00 0.00 C ATOM 1385 CE LYS A 413 84.124 18.414 1.903 1.00 0.00 C ATOM 1386 NZ LYS A 413 84.144 18.090 3.357 1.00 0.00 N ATOM 0 H LYS A 413 88.957 21.983 2.515 1.00 0.00 H new ATOM 0 HA LYS A 413 86.909 20.359 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 413 87.327 20.855 1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 413 88.582 19.637 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 413 86.765 18.267 0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 413 86.646 18.198 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 413 85.089 20.302 2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 413 85.004 19.912 0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 413 83.135 18.768 1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 413 84.327 17.518 1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 83.227 17.687 3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 84.898 17.400 3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 84.321 18.957 3.903 1.00 0.00 H new ATOM 1400 N ASN A 414 89.894 19.801 4.478 1.00 0.00 N ATOM 1401 CA ASN A 414 90.842 18.915 5.142 1.00 0.00 C ATOM 1402 C ASN A 414 91.266 17.779 4.214 1.00 0.00 C ATOM 1403 O ASN A 414 90.957 16.615 4.463 1.00 0.00 O ATOM 1404 CB ASN A 414 90.212 18.332 6.409 1.00 0.00 C ATOM 1405 CG ASN A 414 89.642 19.454 7.271 1.00 0.00 C ATOM 1406 OD1 ASN A 414 88.585 20.002 6.958 1.00 0.00 O ATOM 1407 ND2 ASN A 414 90.283 19.830 8.345 1.00 0.00 N ATOM 0 H ASN A 414 90.162 20.785 4.474 1.00 0.00 H new ATOM 0 HA ASN A 414 91.725 19.497 5.407 1.00 0.00 H new ATOM 0 HB2 ASN A 414 89.422 17.630 6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 414 90.959 17.773 6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 414 89.908 20.579 8.927 1.00 0.00 H new ATOM 0 HD22 ASN A 414 91.159 19.374 8.602 1.00 0.00 H new ATOM 1414 N PRO A 415 91.969 18.099 3.158 1.00 0.00 N ATOM 1415 CA PRO A 415 92.449 17.086 2.173 1.00 0.00 C ATOM 1416 C PRO A 415 93.098 15.883 2.860 1.00 0.00 C ATOM 1417 O PRO A 415 94.265 15.932 3.246 1.00 0.00 O ATOM 1418 CB PRO A 415 93.468 17.863 1.329 1.00 0.00 C ATOM 1419 CG PRO A 415 93.018 19.288 1.402 1.00 0.00 C ATOM 1420 CD PRO A 415 92.381 19.464 2.784 1.00 0.00 C ATOM 0 HA PRO A 415 91.637 16.664 1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 415 94.478 17.747 1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.484 17.505 0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 415 93.859 19.969 1.271 1.00 0.00 H new ATOM 0 HG3 PRO A 415 92.301 19.511 0.612 1.00 0.00 H new ATOM 0 HD2 PRO A 415 93.089 19.879 3.501 1.00 0.00 H new ATOM 0 HD3 PRO A 415 91.529 20.143 2.748 1.00 0.00 H new ATOM 1428 N TRP A 416 92.332 14.807 3.008 1.00 0.00 N ATOM 1429 CA TRP A 416 92.845 13.600 3.648 1.00 0.00 C ATOM 1430 C TRP A 416 93.736 12.822 2.685 1.00 0.00 C ATOM 1431 O TRP A 416 93.351 12.552 1.548 1.00 0.00 O ATOM 1432 CB TRP A 416 91.683 12.716 4.109 1.00 0.00 C ATOM 1433 CG TRP A 416 90.945 12.194 2.917 1.00 0.00 C ATOM 1434 CD1 TRP A 416 90.109 12.921 2.140 1.00 0.00 C ATOM 1435 CD2 TRP A 416 90.960 10.850 2.355 1.00 0.00 C ATOM 1436 NE1 TRP A 416 89.612 12.108 1.137 1.00 0.00 N ATOM 1437 CE2 TRP A 416 90.107 10.823 1.227 1.00 0.00 C ATOM 1438 CE3 TRP A 416 91.625 9.663 2.712 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 89.921 9.660 0.478 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 91.440 8.490 1.960 1.00 0.00 C ATOM 1441 CH2 TRP A 416 90.589 8.490 0.846 1.00 0.00 C ATOM 0 H TRP A 416 91.363 14.745 2.697 1.00 0.00 H new ATOM 0 HA TRP A 416 93.438 13.893 4.514 1.00 0.00 H new ATOM 0 HB2 TRP A 416 92.059 11.887 4.708 1.00 0.00 H new ATOM 0 HB3 TRP A 416 91.008 13.288 4.745 1.00 0.00 H new ATOM 0 HD1 TRP A 416 89.869 13.965 2.280 1.00 0.00 H new ATOM 0 HE1 TRP A 416 88.959 12.420 0.418 1.00 0.00 H new ATOM 0 HE3 TRP A 416 92.282 9.653 3.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 89.265 9.665 -0.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 91.956 7.584 2.242 1.00 0.00 H new ATOM 0 HH2 TRP A 416 90.450 7.585 0.272 1.00 0.00 H new ATOM 1452 N ALA A 417 94.929 12.464 3.149 1.00 0.00 N ATOM 1453 CA ALA A 417 95.866 11.717 2.317 1.00 0.00 C ATOM 1454 C ALA A 417 95.208 10.451 1.781 1.00 0.00 C ATOM 1455 O ALA A 417 94.326 9.878 2.419 1.00 0.00 O ATOM 1456 CB ALA A 417 97.109 11.350 3.128 1.00 0.00 C ATOM 0 H ALA A 417 95.268 12.676 4.087 1.00 0.00 H new ATOM 0 HA ALA A 417 96.159 12.345 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 417 97.803 10.793 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 417 97.593 12.260 3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 417 96.819 10.736 3.981 1.00 0.00 H new ATOM 1462 N LYS A 418 95.644 10.019 0.599 1.00 0.00 N ATOM 1463 CA LYS A 418 95.096 8.818 -0.030 1.00 0.00 C ATOM 1464 C LYS A 418 96.205 8.027 -0.722 1.00 0.00 C ATOM 1465 O LYS A 418 96.417 8.171 -1.926 1.00 0.00 O ATOM 1466 CB LYS A 418 94.043 9.218 -1.066 1.00 0.00 C ATOM 1467 CG LYS A 418 93.387 7.960 -1.639 1.00 0.00 C ATOM 1468 CD LYS A 418 92.200 8.357 -2.521 1.00 0.00 C ATOM 1469 CE LYS A 418 92.687 9.190 -3.712 1.00 0.00 C ATOM 1470 NZ LYS A 418 91.676 9.128 -4.805 1.00 0.00 N ATOM 0 H LYS A 418 96.374 10.482 0.058 1.00 0.00 H new ATOM 0 HA LYS A 418 94.642 8.196 0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.289 9.857 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 418 94.506 9.796 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 418 94.112 7.392 -2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 418 93.051 7.312 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 418 91.686 7.464 -2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 418 91.478 8.929 -1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 418 92.845 10.224 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 418 93.646 8.812 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 92.048 8.555 -5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 90.801 8.696 -4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 91.473 10.090 -5.145 1.00 0.00 H new ATOM 1484 N PRO A 419 96.913 7.199 0.007 1.00 0.00 N ATOM 1485 CA PRO A 419 98.020 6.376 -0.565 1.00 0.00 C ATOM 1486 C PRO A 419 97.593 5.654 -1.843 1.00 0.00 C ATOM 1487 O PRO A 419 96.693 4.814 -1.824 1.00 0.00 O ATOM 1488 CB PRO A 419 98.352 5.389 0.564 1.00 0.00 C ATOM 1489 CG PRO A 419 97.951 6.094 1.820 1.00 0.00 C ATOM 1490 CD PRO A 419 96.742 6.957 1.451 1.00 0.00 C ATOM 0 HA PRO A 419 98.878 6.977 -0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 419 97.806 4.453 0.444 1.00 0.00 H new ATOM 0 HB3 PRO A 419 99.413 5.140 0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 419 97.697 5.381 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 419 98.767 6.708 2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 419 95.804 6.444 1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 419 96.729 7.890 2.015 1.00 0.00 H new ATOM 1498 N LEU A 420 98.243 5.997 -2.951 1.00 0.00 N ATOM 1499 CA LEU A 420 97.926 5.389 -4.241 1.00 0.00 C ATOM 1500 C LEU A 420 97.800 3.867 -4.106 1.00 0.00 C ATOM 1501 O LEU A 420 97.078 3.224 -4.867 1.00 0.00 O ATOM 1502 CB LEU A 420 99.027 5.752 -5.262 1.00 0.00 C ATOM 1503 CG LEU A 420 98.426 5.978 -6.658 1.00 0.00 C ATOM 1504 CD1 LEU A 420 99.549 6.286 -7.651 1.00 0.00 C ATOM 1505 CD2 LEU A 420 97.670 4.721 -7.111 1.00 0.00 C ATOM 0 H LEU A 420 98.990 6.690 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 420 96.969 5.775 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 420 99.549 6.652 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 420 99.767 4.953 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 420 97.732 6.817 -6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 420 99.124 6.447 -8.642 1.00 0.00 H new ATOM 0 HD12 LEU A 420 100.079 7.184 -7.334 1.00 0.00 H new ATOM 0 HD13 LEU A 420 100.244 5.447 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 420 97.247 4.888 -8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 420 98.358 3.876 -7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 420 96.868 4.505 -6.405 1.00 0.00 H new ATOM 1517 N ARG A 421 98.504 3.303 -3.132 1.00 0.00 N ATOM 1518 CA ARG A 421 98.457 1.860 -2.913 1.00 0.00 C ATOM 1519 C ARG A 421 97.062 1.432 -2.465 1.00 0.00 C ATOM 1520 O ARG A 421 96.811 0.250 -2.230 1.00 0.00 O ATOM 1521 CB ARG A 421 99.484 1.454 -1.854 1.00 0.00 C ATOM 1522 CG ARG A 421 99.284 2.302 -0.598 1.00 0.00 C ATOM 1523 CD ARG A 421 100.347 1.940 0.441 1.00 0.00 C ATOM 1524 NE ARG A 421 101.649 2.462 0.033 1.00 0.00 N ATOM 1525 CZ ARG A 421 102.610 2.689 0.923 1.00 0.00 C ATOM 1526 NH1 ARG A 421 102.396 2.456 2.189 1.00 0.00 N ATOM 1527 NH2 ARG A 421 103.766 3.150 0.530 1.00 0.00 N ATOM 0 H ARG A 421 99.108 3.814 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 421 98.694 1.362 -3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 421 99.375 0.397 -1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 421 100.494 1.590 -2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 421 99.351 3.361 -0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 421 98.288 2.133 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 421 100.071 2.350 1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 421 100.401 0.857 0.555 1.00 0.00 H new ATOM 0 HE ARG A 421 101.824 2.656 -0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 421 101.491 2.100 2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 421 103.134 2.630 2.871 1.00 0.00 H new ATOM 0 HH21 ARG A 421 103.931 3.336 -0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 421 104.504 3.325 1.212 1.00 0.00 H new ATOM 1541 N GLN A 422 96.157 2.403 -2.349 1.00 0.00 N ATOM 1542 CA GLN A 422 94.781 2.125 -1.928 1.00 0.00 C ATOM 1543 C GLN A 422 93.862 2.034 -3.141 1.00 0.00 C ATOM 1544 O GLN A 422 93.166 1.037 -3.329 1.00 0.00 O ATOM 1545 CB GLN A 422 94.292 3.239 -0.994 1.00 0.00 C ATOM 1546 CG GLN A 422 93.030 2.788 -0.247 1.00 0.00 C ATOM 1547 CD GLN A 422 91.851 2.701 -1.211 1.00 0.00 C ATOM 1548 OE1 GLN A 422 91.688 3.566 -2.071 1.00 0.00 O ATOM 1549 NE2 GLN A 422 91.016 1.704 -1.118 1.00 0.00 N ATOM 0 H GLN A 422 96.349 3.386 -2.539 1.00 0.00 H new ATOM 0 HA GLN A 422 94.762 1.171 -1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 422 95.075 3.494 -0.280 1.00 0.00 H new ATOM 0 HB3 GLN A 422 94.080 4.140 -1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 422 93.201 1.817 0.218 1.00 0.00 H new ATOM 0 HG3 GLN A 422 92.803 3.490 0.555 1.00 0.00 H new ATOM 0 HE21 GLN A 422 91.154 0.988 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 422 90.225 1.640 -1.759 1.00 0.00 H new ATOM 1558 N VAL A 423 93.864 3.081 -3.963 1.00 0.00 N ATOM 1559 CA VAL A 423 93.023 3.105 -5.156 1.00 0.00 C ATOM 1560 C VAL A 423 93.074 1.762 -5.878 1.00 0.00 C ATOM 1561 O VAL A 423 92.192 1.437 -6.673 1.00 0.00 O ATOM 1562 CB VAL A 423 93.492 4.212 -6.103 1.00 0.00 C ATOM 1563 CG1 VAL A 423 92.411 4.485 -7.152 1.00 0.00 C ATOM 1564 CG2 VAL A 423 93.757 5.490 -5.303 1.00 0.00 C ATOM 0 H VAL A 423 94.433 3.916 -3.827 1.00 0.00 H new ATOM 0 HA VAL A 423 91.996 3.299 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 423 94.409 3.896 -6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 423 92.748 5.274 -7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 423 92.221 3.577 -7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 423 91.493 4.799 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 423 94.091 6.279 -5.977 1.00 0.00 H new ATOM 0 HG22 VAL A 423 92.840 5.804 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 423 94.529 5.299 -4.557 1.00 0.00 H new ATOM 1574 N GLN A 424 94.113 0.982 -5.590 1.00 0.00 N ATOM 1575 CA GLN A 424 94.266 -0.327 -6.213 1.00 0.00 C ATOM 1576 C GLN A 424 92.982 -1.135 -6.074 1.00 0.00 C ATOM 1577 O GLN A 424 92.823 -2.184 -6.698 1.00 0.00 O ATOM 1578 CB GLN A 424 95.424 -1.084 -5.557 1.00 0.00 C ATOM 1579 CG GLN A 424 96.710 -0.265 -5.684 1.00 0.00 C ATOM 1580 CD GLN A 424 97.918 -1.144 -5.380 1.00 0.00 C ATOM 1581 OE1 GLN A 424 98.607 -0.931 -4.383 1.00 0.00 O ATOM 1582 NE2 GLN A 424 98.217 -2.125 -6.187 1.00 0.00 N ATOM 0 H GLN A 424 94.854 1.232 -4.935 1.00 0.00 H new ATOM 0 HA GLN A 424 94.480 -0.185 -7.272 1.00 0.00 H new ATOM 0 HB2 GLN A 424 95.201 -1.270 -4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 424 95.552 -2.056 -6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 424 96.792 0.145 -6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 424 96.682 0.580 -4.996 1.00 0.00 H new ATOM 0 HE21 GLN A 424 97.644 -2.299 -7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 424 99.024 -2.718 -5.992 1.00 0.00 H new