USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=22 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 Set 1.1: A 390 SER OG : rot 38:sc= 1.6 USER MOD Set 1.2: A 393 TYR OH : rot 146:sc= 1.21 USER MOD Set 2.1: A 357 ASN : amide:sc= -8.7! C(o=-22!,f=-23!) USER MOD Set 2.2: A 360 ASN : amide:sc= -13! C(o=-22!,f=-23!) USER MOD Set 3.1: A 356 SER OG : rot -48:sc= 0.813 USER MOD Set 3.2: A 383 GLN : amide:sc= -0.674 K(o=0.14,f=0.81) USER MOD Set 4.1: A 346 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 347 HIS : no HD1:sc= -0.822 K(o=-0.82,f=-1.9!) USER MOD Single : A 345 SER OG : rot 34:sc=0.000605 USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot 100:sc= 0.315 USER MOD Single : A 351 GLN : amide:sc= -10.4! C(o=-10!,f=-19!) USER MOD Single : A 353 SER OG : rot 164:sc= -1.97! USER MOD Single : A 354 SER OG : rot -130:sc= -0.731 USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 358 TYR OH : rot 30:sc= -0.657 USER MOD Single : A 362 ASN : amide:sc= -1.91! C(o=-1.9!,f=-10!) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0779) USER MOD Single : A 369 ASN : amide:sc= -0.306 K(o=-0.31,f=-0.95) USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 ASN : amide:sc= -2.41! C(o=-2.4!,f=-1.6!) USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 TYR OH : rot 180:sc= -0.0797 USER MOD Single : A 378 THR OG1 : rot -64:sc= -1.27 USER MOD Single : A 379 THR OG1 : rot 180:sc= 0 USER MOD Single : A 381 ASN : amide:sc= -5.23! K(o=-5.2!,f=-1.1) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 SER OG : rot 180:sc= 0.208 USER MOD Single : A 396 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 401 LYS NZ :NH3+ -138:sc= -0.132 (180deg=-0.838) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 THR OG1 : rot -100:sc= 0.155 USER MOD Single : A 411 GLN : amide:sc= -0.746 K(o=-0.75,f=0) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 414 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.33!) USER MOD Single : A 418 LYS NZ :NH3+ -132:sc= -2.01! (180deg=-8.01!) USER MOD Single : A 422 GLN : amide:sc= -0.0291 K(o=-0.029,f=-1.7!) USER MOD Single : A 424 GLN : amide:sc= -1.45 K(o=-1.4,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 104.162 2.536 -5.864 1.00 0.00 N ATOM 322 CA SER A 345 103.261 3.142 -4.891 1.00 0.00 C ATOM 323 C SER A 345 104.000 4.179 -4.052 1.00 0.00 C ATOM 324 O SER A 345 103.448 4.721 -3.094 1.00 0.00 O ATOM 325 CB SER A 345 102.679 2.062 -3.979 1.00 0.00 C ATOM 326 OG SER A 345 101.730 1.294 -4.708 1.00 0.00 O ATOM 0 HA SER A 345 102.452 3.637 -5.428 1.00 0.00 H new ATOM 0 HB2 SER A 345 103.475 1.418 -3.605 1.00 0.00 H new ATOM 0 HB3 SER A 345 102.204 2.520 -3.111 1.00 0.00 H new ATOM 0 HG SER A 345 102.012 1.228 -5.644 1.00 0.00 H new ATOM 332 N SER A 346 105.247 4.450 -4.418 1.00 0.00 N ATOM 333 CA SER A 346 106.050 5.425 -3.690 1.00 0.00 C ATOM 334 C SER A 346 105.552 6.840 -3.964 1.00 0.00 C ATOM 335 O SER A 346 106.057 7.807 -3.394 1.00 0.00 O ATOM 336 CB SER A 346 107.517 5.309 -4.104 1.00 0.00 C ATOM 337 OG SER A 346 107.624 5.499 -5.508 1.00 0.00 O ATOM 0 H SER A 346 105.721 4.012 -5.208 1.00 0.00 H new ATOM 0 HA SER A 346 105.958 5.219 -2.624 1.00 0.00 H new ATOM 0 HB2 SER A 346 108.115 6.053 -3.578 1.00 0.00 H new ATOM 0 HB3 SER A 346 107.909 4.330 -3.827 1.00 0.00 H new ATOM 0 HG SER A 346 108.564 5.427 -5.777 1.00 0.00 H new ATOM 343 N HIS A 347 104.558 6.954 -4.842 1.00 0.00 N ATOM 344 CA HIS A 347 103.995 8.257 -5.188 1.00 0.00 C ATOM 345 C HIS A 347 102.879 8.631 -4.218 1.00 0.00 C ATOM 346 O HIS A 347 102.062 7.791 -3.842 1.00 0.00 O ATOM 347 CB HIS A 347 103.441 8.222 -6.615 1.00 0.00 C ATOM 348 CG HIS A 347 104.578 8.212 -7.600 1.00 0.00 C ATOM 349 ND1 HIS A 347 104.376 8.348 -8.965 1.00 0.00 N ATOM 350 CD2 HIS A 347 105.935 8.084 -7.434 1.00 0.00 C ATOM 351 CE1 HIS A 347 105.582 8.301 -9.560 1.00 0.00 C ATOM 352 NE2 HIS A 347 106.566 8.142 -8.672 1.00 0.00 N ATOM 0 H HIS A 347 104.128 6.165 -5.324 1.00 0.00 H new ATOM 0 HA HIS A 347 104.786 9.004 -5.122 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.820 7.337 -6.753 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.804 9.089 -6.789 1.00 0.00 H new ATOM 0 HD2 HIS A 347 106.436 7.957 -6.486 1.00 0.00 H new ATOM 0 HE1 HIS A 347 105.735 8.382 -10.626 1.00 0.00 H new ATOM 0 HE2 HIS A 347 107.566 8.077 -8.861 1.00 0.00 H new ATOM 361 N TYR A 348 102.850 9.902 -3.821 1.00 0.00 N ATOM 362 CA TYR A 348 101.828 10.396 -2.897 1.00 0.00 C ATOM 363 C TYR A 348 100.716 11.099 -3.672 1.00 0.00 C ATOM 364 O TYR A 348 100.933 11.601 -4.774 1.00 0.00 O ATOM 365 CB TYR A 348 102.468 11.375 -1.889 1.00 0.00 C ATOM 366 CG TYR A 348 102.980 10.621 -0.679 1.00 0.00 C ATOM 367 CD1 TYR A 348 104.119 9.813 -0.785 1.00 0.00 C ATOM 368 CD2 TYR A 348 102.313 10.731 0.549 1.00 0.00 C ATOM 369 CE1 TYR A 348 104.589 9.116 0.335 1.00 0.00 C ATOM 370 CE2 TYR A 348 102.783 10.035 1.668 1.00 0.00 C ATOM 371 CZ TYR A 348 103.922 9.227 1.561 1.00 0.00 C ATOM 372 OH TYR A 348 104.386 8.540 2.664 1.00 0.00 O ATOM 0 H TYR A 348 103.521 10.608 -4.124 1.00 0.00 H new ATOM 0 HA TYR A 348 101.400 9.553 -2.355 1.00 0.00 H new ATOM 0 HB2 TYR A 348 103.288 11.913 -2.365 1.00 0.00 H new ATOM 0 HB3 TYR A 348 101.735 12.120 -1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 348 104.635 9.727 -1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 348 101.435 11.354 0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 348 105.467 8.492 0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 348 102.268 10.121 2.613 1.00 0.00 H new ATOM 0 HH TYR A 348 103.809 8.728 3.433 1.00 0.00 H new ATOM 382 N THR A 349 99.525 11.128 -3.080 1.00 0.00 N ATOM 383 CA THR A 349 98.372 11.768 -3.706 1.00 0.00 C ATOM 384 C THR A 349 97.507 12.435 -2.641 1.00 0.00 C ATOM 385 O THR A 349 97.721 12.234 -1.446 1.00 0.00 O ATOM 386 CB THR A 349 97.546 10.726 -4.460 1.00 0.00 C ATOM 387 OG1 THR A 349 97.332 9.597 -3.623 1.00 0.00 O ATOM 388 CG2 THR A 349 98.294 10.294 -5.721 1.00 0.00 C ATOM 0 H THR A 349 99.333 10.715 -2.167 1.00 0.00 H new ATOM 0 HA THR A 349 98.724 12.524 -4.408 1.00 0.00 H new ATOM 0 HB THR A 349 96.585 11.158 -4.741 1.00 0.00 H new ATOM 0 HG1 THR A 349 96.434 9.644 -3.233 1.00 0.00 H new ATOM 0 HG21 THR A 349 97.704 9.551 -6.258 1.00 0.00 H new ATOM 0 HG22 THR A 349 98.457 11.160 -6.362 1.00 0.00 H new ATOM 0 HG23 THR A 349 99.256 9.862 -5.444 1.00 0.00 H new ATOM 396 N LEU A 350 96.529 13.228 -3.079 1.00 0.00 N ATOM 397 CA LEU A 350 95.631 13.924 -2.152 1.00 0.00 C ATOM 398 C LEU A 350 94.193 13.855 -2.660 1.00 0.00 C ATOM 399 O LEU A 350 93.931 13.321 -3.738 1.00 0.00 O ATOM 400 CB LEU A 350 96.049 15.393 -2.016 1.00 0.00 C ATOM 401 CG LEU A 350 97.464 15.498 -1.425 1.00 0.00 C ATOM 402 CD1 LEU A 350 97.940 16.949 -1.522 1.00 0.00 C ATOM 403 CD2 LEU A 350 97.467 15.056 0.051 1.00 0.00 C ATOM 0 H LEU A 350 96.337 13.405 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 350 95.694 13.437 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 350 96.019 15.877 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.341 15.921 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 350 98.133 14.845 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 350 98.943 17.031 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 350 97.955 17.258 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 350 97.261 17.593 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 350 98.477 15.137 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 350 96.796 15.696 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 350 97.130 14.022 0.122 1.00 0.00 H new ATOM 415 N GLN A 351 93.263 14.401 -1.875 1.00 0.00 N ATOM 416 CA GLN A 351 91.842 14.404 -2.243 1.00 0.00 C ATOM 417 C GLN A 351 91.322 15.833 -2.329 1.00 0.00 C ATOM 418 O GLN A 351 91.475 16.618 -1.395 1.00 0.00 O ATOM 419 CB GLN A 351 91.034 13.625 -1.196 1.00 0.00 C ATOM 420 CG GLN A 351 89.518 13.721 -1.498 1.00 0.00 C ATOM 421 CD GLN A 351 88.865 14.830 -0.670 1.00 0.00 C ATOM 422 OE1 GLN A 351 89.218 16.001 -0.804 1.00 0.00 O ATOM 423 NE2 GLN A 351 87.925 14.526 0.182 1.00 0.00 N ATOM 0 H GLN A 351 93.466 14.847 -0.980 1.00 0.00 H new ATOM 0 HA GLN A 351 91.731 13.928 -3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 351 91.344 12.580 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.238 14.022 -0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.366 13.917 -2.559 1.00 0.00 H new ATOM 0 HG3 GLN A 351 89.038 12.767 -1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 351 87.632 13.555 0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 351 87.483 15.259 0.737 1.00 0.00 H new ATOM 432 N LEU A 352 90.703 16.167 -3.456 1.00 0.00 N ATOM 433 CA LEU A 352 90.165 17.508 -3.646 1.00 0.00 C ATOM 434 C LEU A 352 88.875 17.687 -2.850 1.00 0.00 C ATOM 435 O LEU A 352 88.639 18.745 -2.267 1.00 0.00 O ATOM 436 CB LEU A 352 89.898 17.761 -5.132 1.00 0.00 C ATOM 437 CG LEU A 352 91.227 17.829 -5.904 1.00 0.00 C ATOM 438 CD1 LEU A 352 90.936 17.834 -7.410 1.00 0.00 C ATOM 439 CD2 LEU A 352 92.011 19.105 -5.522 1.00 0.00 C ATOM 0 H LEU A 352 90.562 15.535 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 352 90.900 18.228 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 352 89.273 16.965 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 352 89.348 18.694 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 352 91.832 16.960 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 352 91.875 17.882 -7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 352 90.402 16.923 -7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 352 90.324 18.701 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 352 92.948 19.136 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 352 91.415 19.985 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 352 92.223 19.095 -4.453 1.00 0.00 H new ATOM 451 N SER A 353 88.046 16.647 -2.825 1.00 0.00 N ATOM 452 CA SER A 353 86.784 16.705 -2.091 1.00 0.00 C ATOM 453 C SER A 353 86.111 15.338 -2.070 1.00 0.00 C ATOM 454 O SER A 353 86.674 14.348 -2.539 1.00 0.00 O ATOM 455 CB SER A 353 85.848 17.724 -2.742 1.00 0.00 C ATOM 456 OG SER A 353 86.300 19.037 -2.441 1.00 0.00 O ATOM 0 H SER A 353 88.222 15.761 -3.300 1.00 0.00 H new ATOM 0 HA SER A 353 86.997 17.008 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 353 85.823 17.574 -3.821 1.00 0.00 H new ATOM 0 HB3 SER A 353 84.830 17.585 -2.377 1.00 0.00 H new ATOM 0 HG SER A 353 85.874 19.677 -3.048 1.00 0.00 H new ATOM 462 N SER A 354 84.897 15.293 -1.524 1.00 0.00 N ATOM 463 CA SER A 354 84.139 14.046 -1.443 1.00 0.00 C ATOM 464 C SER A 354 82.644 14.332 -1.536 1.00 0.00 C ATOM 465 O SER A 354 82.178 15.396 -1.127 1.00 0.00 O ATOM 466 CB SER A 354 84.443 13.337 -0.123 1.00 0.00 C ATOM 467 OG SER A 354 83.551 12.241 0.037 1.00 0.00 O ATOM 0 H SER A 354 84.418 16.104 -1.132 1.00 0.00 H new ATOM 0 HA SER A 354 84.431 13.404 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 354 85.475 12.985 -0.115 1.00 0.00 H new ATOM 0 HB3 SER A 354 84.336 14.032 0.710 1.00 0.00 H new ATOM 0 HG SER A 354 83.143 12.279 0.927 1.00 0.00 H new ATOM 473 N SER A 355 81.895 13.375 -2.073 1.00 0.00 N ATOM 474 CA SER A 355 80.451 13.531 -2.212 1.00 0.00 C ATOM 475 C SER A 355 79.810 12.185 -2.557 1.00 0.00 C ATOM 476 O SER A 355 80.502 11.177 -2.693 1.00 0.00 O ATOM 477 CB SER A 355 80.142 14.587 -3.294 1.00 0.00 C ATOM 478 OG SER A 355 79.409 15.653 -2.703 1.00 0.00 O ATOM 0 H SER A 355 82.261 12.487 -2.418 1.00 0.00 H new ATOM 0 HA SER A 355 80.030 13.874 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 355 81.068 14.962 -3.729 1.00 0.00 H new ATOM 0 HB3 SER A 355 79.568 14.139 -4.105 1.00 0.00 H new ATOM 0 HG SER A 355 79.210 16.330 -3.383 1.00 0.00 H new ATOM 484 N SER A 356 78.484 12.172 -2.681 1.00 0.00 N ATOM 485 CA SER A 356 77.756 10.939 -2.997 1.00 0.00 C ATOM 486 C SER A 356 76.752 11.173 -4.119 1.00 0.00 C ATOM 487 O SER A 356 75.627 10.675 -4.072 1.00 0.00 O ATOM 488 CB SER A 356 77.022 10.444 -1.754 1.00 0.00 C ATOM 489 OG SER A 356 76.398 9.199 -2.039 1.00 0.00 O ATOM 0 H SER A 356 77.892 12.995 -2.569 1.00 0.00 H new ATOM 0 HA SER A 356 78.476 10.189 -3.326 1.00 0.00 H new ATOM 0 HB2 SER A 356 77.722 10.332 -0.926 1.00 0.00 H new ATOM 0 HB3 SER A 356 76.275 11.175 -1.444 1.00 0.00 H new ATOM 0 HG SER A 356 75.903 9.267 -2.882 1.00 0.00 H new ATOM 495 N ASN A 357 77.165 11.931 -5.128 1.00 0.00 N ATOM 496 CA ASN A 357 76.291 12.221 -6.258 1.00 0.00 C ATOM 497 C ASN A 357 77.063 12.929 -7.366 1.00 0.00 C ATOM 498 O ASN A 357 77.700 13.956 -7.131 1.00 0.00 O ATOM 499 CB ASN A 357 75.124 13.099 -5.802 1.00 0.00 C ATOM 500 CG ASN A 357 74.157 13.323 -6.958 1.00 0.00 C ATOM 501 OD1 ASN A 357 74.493 13.055 -8.112 1.00 0.00 O ATOM 502 ND2 ASN A 357 72.966 13.802 -6.718 1.00 0.00 N ATOM 0 H ASN A 357 78.092 12.353 -5.187 1.00 0.00 H new ATOM 0 HA ASN A 357 75.906 11.279 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 357 74.605 12.624 -4.970 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.498 14.056 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 357 72.313 13.954 -7.487 1.00 0.00 H new ATOM 0 HD22 ASN A 357 72.689 14.024 -5.762 1.00 0.00 H new ATOM 509 N TYR A 358 77.001 12.374 -8.572 1.00 0.00 N ATOM 510 CA TYR A 358 77.699 12.963 -9.707 1.00 0.00 C ATOM 511 C TYR A 358 76.971 14.213 -10.189 1.00 0.00 C ATOM 512 O TYR A 358 77.559 15.292 -10.274 1.00 0.00 O ATOM 513 CB TYR A 358 77.793 11.948 -10.851 1.00 0.00 C ATOM 514 CG TYR A 358 78.781 12.440 -11.883 1.00 0.00 C ATOM 515 CD1 TYR A 358 78.408 13.445 -12.784 1.00 0.00 C ATOM 516 CD2 TYR A 358 80.071 11.894 -11.939 1.00 0.00 C ATOM 517 CE1 TYR A 358 79.323 13.903 -13.740 1.00 0.00 C ATOM 518 CE2 TYR A 358 80.985 12.353 -12.896 1.00 0.00 C ATOM 519 CZ TYR A 358 80.611 13.357 -13.795 1.00 0.00 C ATOM 520 OH TYR A 358 81.512 13.809 -14.738 1.00 0.00 O ATOM 0 H TYR A 358 76.479 11.524 -8.787 1.00 0.00 H new ATOM 0 HA TYR A 358 78.704 13.240 -9.389 1.00 0.00 H new ATOM 0 HB2 TYR A 358 78.107 10.978 -10.465 1.00 0.00 H new ATOM 0 HB3 TYR A 358 76.813 11.808 -11.308 1.00 0.00 H new ATOM 0 HD1 TYR A 358 77.415 13.867 -12.742 1.00 0.00 H new ATOM 0 HD2 TYR A 358 80.360 11.119 -11.244 1.00 0.00 H new ATOM 0 HE1 TYR A 358 79.035 14.678 -14.435 1.00 0.00 H new ATOM 0 HE2 TYR A 358 81.978 11.932 -12.940 1.00 0.00 H new ATOM 0 HH TYR A 358 81.325 14.749 -14.945 1.00 0.00 H new ATOM 530 N ASP A 359 75.688 14.061 -10.503 1.00 0.00 N ATOM 531 CA ASP A 359 74.887 15.185 -10.975 1.00 0.00 C ATOM 532 C ASP A 359 75.094 16.407 -10.086 1.00 0.00 C ATOM 533 O ASP A 359 74.719 17.522 -10.451 1.00 0.00 O ATOM 534 CB ASP A 359 73.406 14.802 -10.982 1.00 0.00 C ATOM 535 CG ASP A 359 72.568 15.968 -11.495 1.00 0.00 C ATOM 536 OD1 ASP A 359 72.166 16.785 -10.684 1.00 0.00 O ATOM 537 OD2 ASP A 359 72.342 16.028 -12.693 1.00 0.00 O ATOM 0 H ASP A 359 75.184 13.177 -10.440 1.00 0.00 H new ATOM 0 HA ASP A 359 75.205 15.432 -11.988 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.251 13.927 -11.613 1.00 0.00 H new ATOM 0 HB3 ASP A 359 73.088 14.530 -9.976 1.00 0.00 H new ATOM 542 N ASN A 360 75.699 16.193 -8.918 1.00 0.00 N ATOM 543 CA ASN A 360 75.961 17.283 -7.976 1.00 0.00 C ATOM 544 C ASN A 360 77.426 17.701 -8.045 1.00 0.00 C ATOM 545 O ASN A 360 77.753 18.880 -7.926 1.00 0.00 O ATOM 546 CB ASN A 360 75.628 16.833 -6.552 1.00 0.00 C ATOM 547 CG ASN A 360 74.230 16.227 -6.510 1.00 0.00 C ATOM 548 OD1 ASN A 360 73.807 15.709 -5.476 1.00 0.00 O ATOM 549 ND2 ASN A 360 73.481 16.262 -7.579 1.00 0.00 N ATOM 0 H ASN A 360 76.017 15.277 -8.601 1.00 0.00 H new ATOM 0 HA ASN A 360 75.334 18.133 -8.245 1.00 0.00 H new ATOM 0 HB2 ASN A 360 76.361 16.101 -6.212 1.00 0.00 H new ATOM 0 HB3 ASN A 360 75.686 17.682 -5.871 1.00 0.00 H new ATOM 0 HD21 ASN A 360 72.544 15.860 -7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 360 73.833 16.692 -8.435 1.00 0.00 H new ATOM 556 N LEU A 361 78.303 16.721 -8.244 1.00 0.00 N ATOM 557 CA LEU A 361 79.732 16.995 -8.333 1.00 0.00 C ATOM 558 C LEU A 361 80.019 17.888 -9.534 1.00 0.00 C ATOM 559 O LEU A 361 80.747 18.876 -9.427 1.00 0.00 O ATOM 560 CB LEU A 361 80.506 15.676 -8.461 1.00 0.00 C ATOM 561 CG LEU A 361 81.996 15.949 -8.725 1.00 0.00 C ATOM 562 CD1 LEU A 361 82.554 16.908 -7.663 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.774 14.623 -8.698 1.00 0.00 C ATOM 0 H LEU A 361 78.051 15.738 -8.346 1.00 0.00 H new ATOM 0 HA LEU A 361 80.053 17.510 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 361 80.394 15.092 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 361 80.090 15.081 -9.274 1.00 0.00 H new ATOM 0 HG LEU A 361 82.107 16.412 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 361 83.610 17.094 -7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 361 82.006 17.850 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 361 82.442 16.461 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.830 14.817 -8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.659 14.153 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.385 13.957 -9.469 1.00 0.00 H new ATOM 575 N ASN A 362 79.440 17.535 -10.679 1.00 0.00 N ATOM 576 CA ASN A 362 79.636 18.310 -11.901 1.00 0.00 C ATOM 577 C ASN A 362 79.599 19.806 -11.597 1.00 0.00 C ATOM 578 O ASN A 362 80.453 20.565 -12.053 1.00 0.00 O ATOM 579 CB ASN A 362 78.547 17.966 -12.919 1.00 0.00 C ATOM 580 CG ASN A 362 77.192 18.463 -12.424 1.00 0.00 C ATOM 581 OD1 ASN A 362 76.923 18.438 -11.223 1.00 0.00 O ATOM 582 ND2 ASN A 362 76.321 18.914 -13.283 1.00 0.00 N ATOM 0 H ASN A 362 78.834 16.721 -10.786 1.00 0.00 H new ATOM 0 HA ASN A 362 80.612 18.059 -12.316 1.00 0.00 H new ATOM 0 HB2 ASN A 362 78.781 18.421 -13.881 1.00 0.00 H new ATOM 0 HB3 ASN A 362 78.513 16.888 -13.076 1.00 0.00 H new ATOM 0 HD21 ASN A 362 75.413 19.248 -12.961 1.00 0.00 H new ATOM 0 HD22 ASN A 362 76.548 18.933 -14.277 1.00 0.00 H new ATOM 589 N GLY A 363 78.605 20.218 -10.817 1.00 0.00 N ATOM 590 CA GLY A 363 78.468 21.621 -10.452 1.00 0.00 C ATOM 591 C GLY A 363 79.716 22.116 -9.731 1.00 0.00 C ATOM 592 O GLY A 363 80.384 23.042 -10.192 1.00 0.00 O ATOM 0 H GLY A 363 77.888 19.605 -10.429 1.00 0.00 H new ATOM 0 HA2 GLY A 363 78.298 22.219 -11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.596 21.751 -9.811 1.00 0.00 H new ATOM 596 N TRP A 364 80.027 21.496 -8.597 1.00 0.00 N ATOM 597 CA TRP A 364 81.198 21.886 -7.821 1.00 0.00 C ATOM 598 C TRP A 364 82.470 21.750 -8.651 1.00 0.00 C ATOM 599 O TRP A 364 83.188 22.725 -8.868 1.00 0.00 O ATOM 600 CB TRP A 364 81.315 21.017 -6.566 1.00 0.00 C ATOM 601 CG TRP A 364 82.419 21.544 -5.710 1.00 0.00 C ATOM 602 CD1 TRP A 364 82.359 22.688 -4.990 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.744 20.980 -5.476 1.00 0.00 C ATOM 604 NE1 TRP A 364 83.564 22.865 -4.330 1.00 0.00 N ATOM 605 CE2 TRP A 364 84.448 21.839 -4.599 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.397 19.821 -5.934 1.00 0.00 C ATOM 607 CZ2 TRP A 364 85.753 21.560 -4.193 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.711 19.538 -5.526 1.00 0.00 C ATOM 609 CH2 TRP A 364 86.387 20.406 -4.659 1.00 0.00 C ATOM 0 H TRP A 364 79.489 20.727 -8.198 1.00 0.00 H new ATOM 0 HA TRP A 364 81.077 22.930 -7.531 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.375 21.024 -6.014 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.515 19.982 -6.842 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.510 23.354 -4.938 1.00 0.00 H new ATOM 0 HE1 TRP A 364 83.773 23.656 -3.720 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.885 19.145 -6.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 86.269 22.231 -3.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 86.203 18.645 -5.883 1.00 0.00 H new ATOM 0 HH2 TRP A 364 87.398 20.183 -4.351 1.00 0.00 H new ATOM 620 N ALA A 365 82.746 20.531 -9.111 1.00 0.00 N ATOM 621 CA ALA A 365 83.939 20.273 -9.914 1.00 0.00 C ATOM 622 C ALA A 365 84.178 21.401 -10.915 1.00 0.00 C ATOM 623 O ALA A 365 85.311 21.838 -11.114 1.00 0.00 O ATOM 624 CB ALA A 365 83.784 18.949 -10.666 1.00 0.00 C ATOM 0 H ALA A 365 82.163 19.711 -8.943 1.00 0.00 H new ATOM 0 HA ALA A 365 84.795 20.216 -9.242 1.00 0.00 H new ATOM 0 HB1 ALA A 365 84.677 18.763 -11.263 1.00 0.00 H new ATOM 0 HB2 ALA A 365 83.650 18.138 -9.951 1.00 0.00 H new ATOM 0 HB3 ALA A 365 82.914 19.002 -11.321 1.00 0.00 H new ATOM 630 N LYS A 366 83.101 21.872 -11.536 1.00 0.00 N ATOM 631 CA LYS A 366 83.205 22.956 -12.510 1.00 0.00 C ATOM 632 C LYS A 366 83.286 24.302 -11.797 1.00 0.00 C ATOM 633 O LYS A 366 83.851 25.261 -12.322 1.00 0.00 O ATOM 634 CB LYS A 366 81.989 22.942 -13.443 1.00 0.00 C ATOM 635 CG LYS A 366 82.087 21.755 -14.410 1.00 0.00 C ATOM 636 CD LYS A 366 81.019 21.886 -15.502 1.00 0.00 C ATOM 637 CE LYS A 366 79.626 21.655 -14.907 1.00 0.00 C ATOM 638 NZ LYS A 366 78.650 21.419 -16.008 1.00 0.00 N ATOM 0 H LYS A 366 82.154 21.525 -11.385 1.00 0.00 H new ATOM 0 HA LYS A 366 84.112 22.809 -13.097 1.00 0.00 H new ATOM 0 HB2 LYS A 366 81.072 22.871 -12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 366 81.939 23.876 -14.003 1.00 0.00 H new ATOM 0 HG2 LYS A 366 83.079 21.722 -14.861 1.00 0.00 H new ATOM 0 HG3 LYS A 366 81.952 20.820 -13.867 1.00 0.00 H new ATOM 0 HD2 LYS A 366 81.070 22.876 -15.954 1.00 0.00 H new ATOM 0 HD3 LYS A 366 81.208 21.163 -16.295 1.00 0.00 H new ATOM 0 HE2 LYS A 366 79.644 20.799 -14.233 1.00 0.00 H new ATOM 0 HE3 LYS A 366 79.323 22.520 -14.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 77.704 21.262 -15.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 78.626 22.249 -16.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 78.938 20.581 -16.553 1.00 0.00 H new ATOM 652 N LYS A 367 82.717 24.364 -10.597 1.00 0.00 N ATOM 653 CA LYS A 367 82.730 25.597 -9.819 1.00 0.00 C ATOM 654 C LYS A 367 84.162 26.015 -9.502 1.00 0.00 C ATOM 655 O LYS A 367 84.605 27.096 -9.891 1.00 0.00 O ATOM 656 CB LYS A 367 81.955 25.400 -8.515 1.00 0.00 C ATOM 657 CG LYS A 367 81.740 26.754 -7.837 1.00 0.00 C ATOM 658 CD LYS A 367 80.882 26.568 -6.586 1.00 0.00 C ATOM 659 CE LYS A 367 80.713 27.914 -5.877 1.00 0.00 C ATOM 660 NZ LYS A 367 79.760 28.764 -6.645 1.00 0.00 N ATOM 0 H LYS A 367 82.245 23.581 -10.145 1.00 0.00 H new ATOM 0 HA LYS A 367 82.256 26.381 -10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 367 80.994 24.927 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 367 82.504 24.732 -7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 367 82.700 27.195 -7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 367 81.253 27.444 -8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 367 79.907 26.163 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 367 81.350 25.848 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 367 80.343 27.759 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 367 81.677 28.416 -5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 79.527 29.612 -6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 80.196 29.048 -7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 78.891 28.226 -6.836 1.00 0.00 H new ATOM 674 N GLU A 368 84.882 25.153 -8.792 1.00 0.00 N ATOM 675 CA GLU A 368 86.264 25.443 -8.427 1.00 0.00 C ATOM 676 C GLU A 368 87.148 25.476 -9.669 1.00 0.00 C ATOM 677 O GLU A 368 88.316 25.859 -9.602 1.00 0.00 O ATOM 678 CB GLU A 368 86.785 24.381 -7.456 1.00 0.00 C ATOM 679 CG GLU A 368 86.116 24.562 -6.092 1.00 0.00 C ATOM 680 CD GLU A 368 84.604 24.433 -6.231 1.00 0.00 C ATOM 681 OE1 GLU A 368 84.160 23.422 -6.751 1.00 0.00 O ATOM 682 OE2 GLU A 368 83.910 25.347 -5.817 1.00 0.00 O ATOM 0 H GLU A 368 84.535 24.253 -8.460 1.00 0.00 H new ATOM 0 HA GLU A 368 86.295 26.420 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 368 86.577 23.384 -7.845 1.00 0.00 H new ATOM 0 HB3 GLU A 368 87.867 24.465 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 368 86.490 23.815 -5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 368 86.369 25.539 -5.680 1.00 0.00 H new ATOM 689 N ASN A 369 86.583 25.071 -10.801 1.00 0.00 N ATOM 690 CA ASN A 369 87.329 25.058 -12.054 1.00 0.00 C ATOM 691 C ASN A 369 88.599 24.225 -11.912 1.00 0.00 C ATOM 692 O ASN A 369 89.698 24.698 -12.198 1.00 0.00 O ATOM 693 CB ASN A 369 87.695 26.488 -12.458 1.00 0.00 C ATOM 694 CG ASN A 369 86.436 27.342 -12.547 1.00 0.00 C ATOM 695 OD1 ASN A 369 85.533 27.039 -13.326 1.00 0.00 O ATOM 696 ND2 ASN A 369 86.320 28.400 -11.792 1.00 0.00 N ATOM 0 H ASN A 369 85.618 24.750 -10.877 1.00 0.00 H new ATOM 0 HA ASN A 369 86.701 24.613 -12.826 1.00 0.00 H new ATOM 0 HB2 ASN A 369 88.384 26.916 -11.729 1.00 0.00 H new ATOM 0 HB3 ASN A 369 88.210 26.483 -13.419 1.00 0.00 H new ATOM 0 HD21 ASN A 369 85.480 28.976 -11.847 1.00 0.00 H new ATOM 0 HD22 ASN A 369 87.069 28.650 -11.146 1.00 0.00 H new ATOM 703 N LEU A 370 88.438 22.981 -11.470 1.00 0.00 N ATOM 704 CA LEU A 370 89.580 22.090 -11.297 1.00 0.00 C ATOM 705 C LEU A 370 90.342 21.944 -12.611 1.00 0.00 C ATOM 706 O LEU A 370 89.844 21.343 -13.563 1.00 0.00 O ATOM 707 CB LEU A 370 89.109 20.711 -10.820 1.00 0.00 C ATOM 708 CG LEU A 370 88.153 20.861 -9.629 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.591 19.485 -9.252 1.00 0.00 C ATOM 710 CD2 LEU A 370 88.904 21.451 -8.429 1.00 0.00 C ATOM 0 H LEU A 370 87.537 22.570 -11.227 1.00 0.00 H new ATOM 0 HA LEU A 370 90.243 22.521 -10.547 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.608 20.188 -11.634 1.00 0.00 H new ATOM 0 HB3 LEU A 370 89.968 20.105 -10.532 1.00 0.00 H new ATOM 0 HG LEU A 370 87.337 21.529 -9.905 1.00 0.00 H new ATOM 0 HD11 LEU A 370 86.912 19.589 -8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 370 87.051 19.067 -10.102 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.410 18.820 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 370 88.220 21.555 -7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.724 20.788 -8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 370 89.303 22.430 -8.695 1.00 0.00 H new ATOM 722 N LYS A 371 91.551 22.498 -12.658 1.00 0.00 N ATOM 723 CA LYS A 371 92.370 22.423 -13.864 1.00 0.00 C ATOM 724 C LYS A 371 92.650 20.966 -14.225 1.00 0.00 C ATOM 725 O LYS A 371 91.842 20.086 -13.935 1.00 0.00 O ATOM 726 CB LYS A 371 93.698 23.180 -13.657 1.00 0.00 C ATOM 727 CG LYS A 371 93.485 24.392 -12.718 1.00 0.00 C ATOM 728 CD LYS A 371 93.808 24.006 -11.260 1.00 0.00 C ATOM 729 CE LYS A 371 95.315 24.137 -11.003 1.00 0.00 C ATOM 730 NZ LYS A 371 95.678 23.368 -9.780 1.00 0.00 N ATOM 0 H LYS A 371 91.982 23.000 -11.882 1.00 0.00 H new ATOM 0 HA LYS A 371 91.823 22.889 -14.683 1.00 0.00 H new ATOM 0 HB2 LYS A 371 94.445 22.509 -13.232 1.00 0.00 H new ATOM 0 HB3 LYS A 371 94.085 23.519 -14.618 1.00 0.00 H new ATOM 0 HG2 LYS A 371 94.122 25.219 -13.031 1.00 0.00 H new ATOM 0 HG3 LYS A 371 92.454 24.739 -12.789 1.00 0.00 H new ATOM 0 HD2 LYS A 371 93.257 24.649 -10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 371 93.485 22.983 -11.066 1.00 0.00 H new ATOM 0 HE2 LYS A 371 95.875 23.763 -11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 371 95.584 25.186 -10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 96.699 23.456 -9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 95.153 23.744 -8.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 95.435 22.366 -9.915 1.00 0.00 H new ATOM 744 N ASN A 372 93.801 20.727 -14.863 1.00 0.00 N ATOM 745 CA ASN A 372 94.198 19.376 -15.275 1.00 0.00 C ATOM 746 C ASN A 372 93.677 18.319 -14.304 1.00 0.00 C ATOM 747 O ASN A 372 94.220 18.137 -13.214 1.00 0.00 O ATOM 748 CB ASN A 372 95.723 19.285 -15.355 1.00 0.00 C ATOM 749 CG ASN A 372 96.332 19.513 -13.975 1.00 0.00 C ATOM 750 OD1 ASN A 372 96.552 20.656 -13.574 1.00 0.00 O ATOM 751 ND2 ASN A 372 96.619 18.488 -13.221 1.00 0.00 N ATOM 0 H ASN A 372 94.475 21.453 -15.106 1.00 0.00 H new ATOM 0 HA ASN A 372 93.761 19.184 -16.255 1.00 0.00 H new ATOM 0 HB2 ASN A 372 96.018 18.307 -15.735 1.00 0.00 H new ATOM 0 HB3 ASN A 372 96.104 20.027 -16.057 1.00 0.00 H new ATOM 0 HD21 ASN A 372 97.026 18.633 -12.297 1.00 0.00 H new ATOM 0 HD22 ASN A 372 96.436 17.542 -13.555 1.00 0.00 H new ATOM 758 N TYR A 373 92.614 17.634 -14.709 1.00 0.00 N ATOM 759 CA TYR A 373 92.010 16.604 -13.874 1.00 0.00 C ATOM 760 C TYR A 373 91.089 15.710 -14.700 1.00 0.00 C ATOM 761 O TYR A 373 90.743 16.035 -15.836 1.00 0.00 O ATOM 762 CB TYR A 373 91.236 17.258 -12.713 1.00 0.00 C ATOM 763 CG TYR A 373 89.846 17.704 -13.150 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.653 18.353 -14.380 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.748 17.475 -12.308 1.00 0.00 C ATOM 766 CE1 TYR A 373 88.372 18.767 -14.763 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.467 17.888 -12.695 1.00 0.00 C ATOM 768 CZ TYR A 373 87.281 18.534 -13.921 1.00 0.00 C ATOM 769 OH TYR A 373 86.017 18.943 -14.300 1.00 0.00 O ATOM 0 H TYR A 373 92.154 17.773 -15.609 1.00 0.00 H new ATOM 0 HA TYR A 373 92.802 15.979 -13.461 1.00 0.00 H new ATOM 0 HB2 TYR A 373 91.150 16.551 -11.888 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.794 18.117 -12.340 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.495 18.533 -15.032 1.00 0.00 H new ATOM 0 HD2 TYR A 373 88.891 16.979 -11.359 1.00 0.00 H new ATOM 0 HE1 TYR A 373 88.227 19.267 -15.709 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.623 17.707 -12.046 1.00 0.00 H new ATOM 0 HH TYR A 373 85.373 18.703 -13.602 1.00 0.00 H new ATOM 779 N VAL A 374 90.701 14.577 -14.119 1.00 0.00 N ATOM 780 CA VAL A 374 89.822 13.627 -14.800 1.00 0.00 C ATOM 781 C VAL A 374 88.812 13.042 -13.819 1.00 0.00 C ATOM 782 O VAL A 374 89.169 12.647 -12.709 1.00 0.00 O ATOM 783 CB VAL A 374 90.656 12.502 -15.413 1.00 0.00 C ATOM 784 CG1 VAL A 374 91.411 13.030 -16.632 1.00 0.00 C ATOM 785 CG2 VAL A 374 91.660 11.986 -14.378 1.00 0.00 C ATOM 0 H VAL A 374 90.980 14.294 -13.180 1.00 0.00 H new ATOM 0 HA VAL A 374 89.282 14.151 -15.589 1.00 0.00 H new ATOM 0 HB VAL A 374 89.997 11.689 -15.718 1.00 0.00 H new ATOM 0 HG11 VAL A 374 92.005 12.227 -17.068 1.00 0.00 H new ATOM 0 HG12 VAL A 374 90.698 13.396 -17.371 1.00 0.00 H new ATOM 0 HG13 VAL A 374 92.069 13.844 -16.328 1.00 0.00 H new ATOM 0 HG21 VAL A 374 92.254 11.184 -14.816 1.00 0.00 H new ATOM 0 HG22 VAL A 374 92.318 12.800 -14.072 1.00 0.00 H new ATOM 0 HG23 VAL A 374 91.124 11.607 -13.508 1.00 0.00 H new ATOM 795 N VAL A 375 87.547 12.994 -14.233 1.00 0.00 N ATOM 796 CA VAL A 375 86.484 12.457 -13.383 1.00 0.00 C ATOM 797 C VAL A 375 86.266 10.974 -13.665 1.00 0.00 C ATOM 798 O VAL A 375 86.159 10.562 -14.821 1.00 0.00 O ATOM 799 CB VAL A 375 85.182 13.226 -13.631 1.00 0.00 C ATOM 800 CG1 VAL A 375 85.446 14.729 -13.507 1.00 0.00 C ATOM 801 CG2 VAL A 375 84.662 12.915 -15.037 1.00 0.00 C ATOM 0 H VAL A 375 87.233 13.319 -15.148 1.00 0.00 H new ATOM 0 HA VAL A 375 86.783 12.573 -12.341 1.00 0.00 H new ATOM 0 HB VAL A 375 84.438 12.924 -12.894 1.00 0.00 H new ATOM 0 HG11 VAL A 375 84.520 15.277 -13.683 1.00 0.00 H new ATOM 0 HG12 VAL A 375 85.815 14.952 -12.506 1.00 0.00 H new ATOM 0 HG13 VAL A 375 86.191 15.029 -14.243 1.00 0.00 H new ATOM 0 HG21 VAL A 375 83.736 13.463 -15.212 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.406 13.215 -15.775 1.00 0.00 H new ATOM 0 HG23 VAL A 375 84.473 11.845 -15.127 1.00 0.00 H new ATOM 811 N TYR A 376 86.200 10.177 -12.602 1.00 0.00 N ATOM 812 CA TYR A 376 85.994 8.737 -12.741 1.00 0.00 C ATOM 813 C TYR A 376 85.278 8.182 -11.515 1.00 0.00 C ATOM 814 O TYR A 376 84.945 8.925 -10.593 1.00 0.00 O ATOM 815 CB TYR A 376 87.342 8.030 -12.911 1.00 0.00 C ATOM 816 CG TYR A 376 88.241 8.370 -11.743 1.00 0.00 C ATOM 817 CD1 TYR A 376 88.798 9.649 -11.638 1.00 0.00 C ATOM 818 CD2 TYR A 376 88.517 7.405 -10.765 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.629 9.965 -10.557 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.348 7.721 -9.685 1.00 0.00 C ATOM 821 CZ TYR A 376 89.904 9.001 -9.580 1.00 0.00 C ATOM 822 OH TYR A 376 90.724 9.312 -8.514 1.00 0.00 O ATOM 0 H TYR A 376 86.286 10.501 -11.639 1.00 0.00 H new ATOM 0 HA TYR A 376 85.378 8.558 -13.622 1.00 0.00 H new ATOM 0 HB2 TYR A 376 87.194 6.952 -12.968 1.00 0.00 H new ATOM 0 HB3 TYR A 376 87.811 8.337 -13.846 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.587 10.393 -12.392 1.00 0.00 H new ATOM 0 HD2 TYR A 376 88.088 6.417 -10.845 1.00 0.00 H new ATOM 0 HE1 TYR A 376 90.058 10.953 -10.477 1.00 0.00 H new ATOM 0 HE2 TYR A 376 89.561 6.977 -8.932 1.00 0.00 H new ATOM 0 HH TYR A 376 90.810 8.531 -7.928 1.00 0.00 H new ATOM 832 N GLU A 377 85.035 6.871 -11.514 1.00 0.00 N ATOM 833 CA GLU A 377 84.349 6.222 -10.399 1.00 0.00 C ATOM 834 C GLU A 377 85.358 5.643 -9.414 1.00 0.00 C ATOM 835 O GLU A 377 86.409 5.140 -9.808 1.00 0.00 O ATOM 836 CB GLU A 377 83.448 5.101 -10.924 1.00 0.00 C ATOM 837 CG GLU A 377 84.232 4.235 -11.911 1.00 0.00 C ATOM 838 CD GLU A 377 83.461 2.952 -12.203 1.00 0.00 C ATOM 839 OE1 GLU A 377 82.242 2.997 -12.181 1.00 0.00 O ATOM 840 OE2 GLU A 377 84.102 1.940 -12.442 1.00 0.00 O ATOM 0 H GLU A 377 85.302 6.241 -12.270 1.00 0.00 H new ATOM 0 HA GLU A 377 83.743 6.968 -9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 377 83.088 4.491 -10.095 1.00 0.00 H new ATOM 0 HB3 GLU A 377 82.571 5.524 -11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 377 84.402 4.786 -12.836 1.00 0.00 H new ATOM 0 HG3 GLU A 377 85.212 3.995 -11.499 1.00 0.00 H new ATOM 847 N THR A 378 85.026 5.718 -8.129 1.00 0.00 N ATOM 848 CA THR A 378 85.902 5.201 -7.081 1.00 0.00 C ATOM 849 C THR A 378 85.062 4.648 -5.931 1.00 0.00 C ATOM 850 O THR A 378 83.833 4.679 -5.988 1.00 0.00 O ATOM 851 CB THR A 378 86.824 6.328 -6.585 1.00 0.00 C ATOM 852 OG1 THR A 378 87.470 6.923 -7.700 1.00 0.00 O ATOM 853 CG2 THR A 378 87.882 5.781 -5.622 1.00 0.00 C ATOM 0 H THR A 378 84.158 6.131 -7.788 1.00 0.00 H new ATOM 0 HA THR A 378 86.515 4.393 -7.480 1.00 0.00 H new ATOM 0 HB THR A 378 86.222 7.067 -6.057 1.00 0.00 H new ATOM 0 HG1 THR A 378 88.054 6.264 -8.130 1.00 0.00 H new ATOM 0 HG21 THR A 378 88.523 6.596 -5.284 1.00 0.00 H new ATOM 0 HG22 THR A 378 87.391 5.325 -4.762 1.00 0.00 H new ATOM 0 HG23 THR A 378 88.487 5.032 -6.133 1.00 0.00 H new ATOM 861 N THR A 379 85.721 4.145 -4.888 1.00 0.00 N ATOM 862 CA THR A 379 85.015 3.591 -3.731 1.00 0.00 C ATOM 863 C THR A 379 85.147 4.524 -2.532 1.00 0.00 C ATOM 864 O THR A 379 86.056 5.352 -2.474 1.00 0.00 O ATOM 865 CB THR A 379 85.598 2.221 -3.375 1.00 0.00 C ATOM 866 OG1 THR A 379 86.957 2.375 -2.987 1.00 0.00 O ATOM 867 CG2 THR A 379 85.514 1.297 -4.591 1.00 0.00 C ATOM 0 H THR A 379 86.738 4.109 -4.819 1.00 0.00 H new ATOM 0 HA THR A 379 83.960 3.485 -3.985 1.00 0.00 H new ATOM 0 HB THR A 379 85.031 1.786 -2.552 1.00 0.00 H new ATOM 0 HG1 THR A 379 87.333 1.500 -2.757 1.00 0.00 H new ATOM 0 HG21 THR A 379 85.929 0.322 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 379 84.472 1.181 -4.889 1.00 0.00 H new ATOM 0 HG23 THR A 379 86.081 1.729 -5.416 1.00 0.00 H new ATOM 875 N ARG A 380 84.235 4.382 -1.576 1.00 0.00 N ATOM 876 CA ARG A 380 84.261 5.217 -0.382 1.00 0.00 C ATOM 877 C ARG A 380 83.256 4.707 0.647 1.00 0.00 C ATOM 878 O ARG A 380 82.088 5.094 0.630 1.00 0.00 O ATOM 879 CB ARG A 380 83.926 6.664 -0.749 1.00 0.00 C ATOM 880 CG ARG A 380 84.052 7.549 0.493 1.00 0.00 C ATOM 881 CD ARG A 380 84.002 9.019 0.078 1.00 0.00 C ATOM 882 NE ARG A 380 83.929 9.874 1.258 1.00 0.00 N ATOM 883 CZ ARG A 380 85.008 10.125 1.991 1.00 0.00 C ATOM 884 NH1 ARG A 380 86.158 9.604 1.661 1.00 0.00 N ATOM 885 NH2 ARG A 380 84.918 10.894 3.042 1.00 0.00 N ATOM 0 H ARG A 380 83.475 3.702 -1.604 1.00 0.00 H new ATOM 0 HA ARG A 380 85.262 5.174 0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 380 84.599 7.017 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 380 82.914 6.724 -1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 380 83.245 7.330 1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 380 84.988 7.338 1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 380 84.887 9.269 -0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 380 83.137 9.195 -0.561 1.00 0.00 H new ATOM 0 HE ARG A 380 83.035 10.286 1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 380 86.229 9.003 0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 380 86.986 9.797 2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 380 84.019 11.302 3.300 1.00 0.00 H new ATOM 0 HH22 ARG A 380 85.746 11.087 3.605 1.00 0.00 H new ATOM 899 N ASN A 381 83.716 3.836 1.539 1.00 0.00 N ATOM 900 CA ASN A 381 82.843 3.281 2.568 1.00 0.00 C ATOM 901 C ASN A 381 81.635 2.600 1.932 1.00 0.00 C ATOM 902 O ASN A 381 80.527 3.136 1.954 1.00 0.00 O ATOM 903 CB ASN A 381 82.370 4.391 3.507 1.00 0.00 C ATOM 904 CG ASN A 381 83.570 5.165 4.045 1.00 0.00 C ATOM 905 OD1 ASN A 381 83.743 5.277 5.259 1.00 0.00 O ATOM 906 ND2 ASN A 381 84.411 5.709 3.210 1.00 0.00 N ATOM 0 H ASN A 381 84.679 3.501 1.571 1.00 0.00 H new ATOM 0 HA ASN A 381 83.406 2.542 3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 381 81.699 5.067 2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 381 81.803 3.963 4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 381 85.215 6.229 3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 381 84.265 5.614 2.205 1.00 0.00 H new ATOM 913 N GLY A 382 81.862 1.412 1.371 1.00 0.00 N ATOM 914 CA GLY A 382 80.791 0.646 0.728 1.00 0.00 C ATOM 915 C GLY A 382 79.799 1.564 0.015 1.00 0.00 C ATOM 916 O GLY A 382 78.599 1.291 -0.019 1.00 0.00 O ATOM 0 H GLY A 382 82.776 0.959 1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 382 81.222 -0.053 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 382 80.266 0.052 1.477 1.00 0.00 H new ATOM 920 N GLN A 383 80.312 2.658 -0.545 1.00 0.00 N ATOM 921 CA GLN A 383 79.472 3.626 -1.251 1.00 0.00 C ATOM 922 C GLN A 383 80.255 4.264 -2.405 1.00 0.00 C ATOM 923 O GLN A 383 81.015 5.207 -2.183 1.00 0.00 O ATOM 924 CB GLN A 383 79.030 4.723 -0.277 1.00 0.00 C ATOM 925 CG GLN A 383 77.886 5.529 -0.896 1.00 0.00 C ATOM 926 CD GLN A 383 77.406 6.593 0.086 1.00 0.00 C ATOM 927 OE1 GLN A 383 76.215 6.903 0.133 1.00 0.00 O ATOM 928 NE2 GLN A 383 78.267 7.175 0.877 1.00 0.00 N ATOM 0 H GLN A 383 81.303 2.897 -0.524 1.00 0.00 H new ATOM 0 HA GLN A 383 78.599 3.110 -1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 383 78.707 4.279 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 383 79.869 5.380 -0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 383 78.221 6.000 -1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 383 77.062 4.865 -1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 383 79.253 6.916 0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 383 77.954 7.888 1.536 1.00 0.00 H new ATOM 937 N PRO A 384 80.104 3.783 -3.621 1.00 0.00 N ATOM 938 CA PRO A 384 80.839 4.347 -4.792 1.00 0.00 C ATOM 939 C PRO A 384 80.871 5.874 -4.776 1.00 0.00 C ATOM 940 O PRO A 384 79.886 6.523 -4.422 1.00 0.00 O ATOM 941 CB PRO A 384 80.054 3.811 -5.990 1.00 0.00 C ATOM 942 CG PRO A 384 79.528 2.492 -5.524 1.00 0.00 C ATOM 943 CD PRO A 384 79.229 2.664 -4.029 1.00 0.00 C ATOM 0 HA PRO A 384 81.890 4.057 -4.804 1.00 0.00 H new ATOM 0 HB2 PRO A 384 79.245 4.486 -6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 384 80.693 3.698 -6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 384 78.628 2.214 -6.073 1.00 0.00 H new ATOM 0 HG3 PRO A 384 80.259 1.700 -5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 384 78.178 2.894 -3.855 1.00 0.00 H new ATOM 0 HD3 PRO A 384 79.453 1.756 -3.469 1.00 0.00 H new ATOM 951 N TRP A 385 82.016 6.437 -5.156 1.00 0.00 N ATOM 952 CA TRP A 385 82.184 7.890 -5.180 1.00 0.00 C ATOM 953 C TRP A 385 83.161 8.285 -6.286 1.00 0.00 C ATOM 954 O TRP A 385 84.053 7.521 -6.639 1.00 0.00 O ATOM 955 CB TRP A 385 82.699 8.367 -3.803 1.00 0.00 C ATOM 956 CG TRP A 385 83.418 9.684 -3.918 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.696 9.903 -3.528 1.00 0.00 C ATOM 958 CD2 TRP A 385 82.930 10.952 -4.448 1.00 0.00 C ATOM 959 NE1 TRP A 385 85.023 11.222 -3.785 1.00 0.00 N ATOM 960 CE2 TRP A 385 83.969 11.910 -4.351 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.702 11.360 -4.997 1.00 0.00 C ATOM 962 CZ2 TRP A 385 83.792 13.227 -4.783 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.522 12.682 -5.431 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.566 13.614 -5.324 1.00 0.00 C ATOM 0 H TRP A 385 82.839 5.912 -5.451 1.00 0.00 H new ATOM 0 HA TRP A 385 81.225 8.366 -5.385 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.861 8.466 -3.113 1.00 0.00 H new ATOM 0 HB3 TRP A 385 83.371 7.618 -3.384 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.353 9.167 -3.088 1.00 0.00 H new ATOM 0 HE1 TRP A 385 85.933 11.636 -3.581 1.00 0.00 H new ATOM 0 HE3 TRP A 385 80.892 10.651 -5.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.599 13.940 -4.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.574 12.985 -5.850 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.420 14.630 -5.660 1.00 0.00 H new ATOM 975 N TYR A 386 82.980 9.490 -6.825 1.00 0.00 N ATOM 976 CA TYR A 386 83.850 9.994 -7.884 1.00 0.00 C ATOM 977 C TYR A 386 84.837 11.003 -7.308 1.00 0.00 C ATOM 978 O TYR A 386 84.595 12.211 -7.345 1.00 0.00 O ATOM 979 CB TYR A 386 83.012 10.669 -8.972 1.00 0.00 C ATOM 980 CG TYR A 386 81.839 9.786 -9.331 1.00 0.00 C ATOM 981 CD1 TYR A 386 80.753 9.676 -8.454 1.00 0.00 C ATOM 982 CD2 TYR A 386 81.836 9.077 -10.540 1.00 0.00 C ATOM 983 CE1 TYR A 386 79.665 8.860 -8.786 1.00 0.00 C ATOM 984 CE2 TYR A 386 80.749 8.261 -10.871 1.00 0.00 C ATOM 985 CZ TYR A 386 79.663 8.152 -9.994 1.00 0.00 C ATOM 986 OH TYR A 386 78.590 7.347 -10.320 1.00 0.00 O ATOM 0 H TYR A 386 82.240 10.134 -6.546 1.00 0.00 H new ATOM 0 HA TYR A 386 84.398 9.157 -8.317 1.00 0.00 H new ATOM 0 HB2 TYR A 386 82.657 11.638 -8.622 1.00 0.00 H new ATOM 0 HB3 TYR A 386 83.624 10.854 -9.855 1.00 0.00 H new ATOM 0 HD1 TYR A 386 80.755 10.221 -7.521 1.00 0.00 H new ATOM 0 HD2 TYR A 386 82.674 9.161 -11.217 1.00 0.00 H new ATOM 0 HE1 TYR A 386 78.827 8.777 -8.110 1.00 0.00 H new ATOM 0 HE2 TYR A 386 80.747 7.715 -11.803 1.00 0.00 H new ATOM 0 HH TYR A 386 78.748 6.929 -11.192 1.00 0.00 H new ATOM 996 N VAL A 387 85.949 10.505 -6.775 1.00 0.00 N ATOM 997 CA VAL A 387 86.963 11.373 -6.193 1.00 0.00 C ATOM 998 C VAL A 387 87.862 11.925 -7.289 1.00 0.00 C ATOM 999 O VAL A 387 88.121 11.255 -8.289 1.00 0.00 O ATOM 1000 CB VAL A 387 87.799 10.593 -5.176 1.00 0.00 C ATOM 1001 CG1 VAL A 387 88.530 9.448 -5.879 1.00 0.00 C ATOM 1002 CG2 VAL A 387 88.821 11.530 -4.528 1.00 0.00 C ATOM 0 H VAL A 387 86.169 9.510 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 387 86.471 12.202 -5.685 1.00 0.00 H new ATOM 0 HB VAL A 387 87.142 10.184 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 387 89.124 8.895 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 387 87.802 8.779 -6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 387 89.185 9.854 -6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.416 10.974 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 387 89.476 11.942 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 387 88.300 12.343 -4.022 1.00 0.00 H new ATOM 1012 N LEU A 388 88.321 13.160 -7.106 1.00 0.00 N ATOM 1013 CA LEU A 388 89.179 13.817 -8.092 1.00 0.00 C ATOM 1014 C LEU A 388 90.543 14.143 -7.494 1.00 0.00 C ATOM 1015 O LEU A 388 90.639 14.833 -6.479 1.00 0.00 O ATOM 1016 CB LEU A 388 88.510 15.109 -8.564 1.00 0.00 C ATOM 1017 CG LEU A 388 87.041 14.845 -8.913 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.370 16.164 -9.308 1.00 0.00 C ATOM 1019 CD2 LEU A 388 86.956 13.856 -10.081 1.00 0.00 C ATOM 0 H LEU A 388 88.114 13.728 -6.284 1.00 0.00 H new ATOM 0 HA LEU A 388 89.323 13.140 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.576 15.868 -7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.034 15.502 -9.435 1.00 0.00 H new ATOM 0 HG LEU A 388 86.533 14.421 -8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 388 85.325 15.980 -9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 388 86.427 16.865 -8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 388 86.880 16.587 -10.173 1.00 0.00 H new ATOM 0 HD21 LEU A 388 85.910 13.671 -10.326 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.464 14.275 -10.950 1.00 0.00 H new ATOM 0 HD23 LEU A 388 87.434 12.918 -9.799 1.00 0.00 H new ATOM 1031 N VAL A 389 91.598 13.644 -8.137 1.00 0.00 N ATOM 1032 CA VAL A 389 92.966 13.884 -7.672 1.00 0.00 C ATOM 1033 C VAL A 389 93.603 15.028 -8.456 1.00 0.00 C ATOM 1034 O VAL A 389 92.915 15.781 -9.145 1.00 0.00 O ATOM 1035 CB VAL A 389 93.806 12.617 -7.846 1.00 0.00 C ATOM 1036 CG1 VAL A 389 93.203 11.486 -7.010 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.816 12.209 -9.321 1.00 0.00 C ATOM 0 H VAL A 389 91.533 13.072 -8.979 1.00 0.00 H new ATOM 0 HA VAL A 389 92.930 14.155 -6.617 1.00 0.00 H new ATOM 0 HB VAL A 389 94.826 12.811 -7.515 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.801 10.583 -7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.195 11.775 -5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 389 92.183 11.293 -7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 389 94.414 11.306 -9.445 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.796 12.016 -9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 389 94.245 13.014 -9.918 1.00 0.00 H new ATOM 1047 N SER A 390 94.925 15.148 -8.348 1.00 0.00 N ATOM 1048 CA SER A 390 95.657 16.202 -9.052 1.00 0.00 C ATOM 1049 C SER A 390 97.059 15.731 -9.415 1.00 0.00 C ATOM 1050 O SER A 390 97.943 15.663 -8.562 1.00 0.00 O ATOM 1051 CB SER A 390 95.745 17.451 -8.176 1.00 0.00 C ATOM 1052 OG SER A 390 96.283 17.099 -6.909 1.00 0.00 O ATOM 0 H SER A 390 95.510 14.532 -7.783 1.00 0.00 H new ATOM 0 HA SER A 390 95.119 16.440 -9.970 1.00 0.00 H new ATOM 0 HB2 SER A 390 96.374 18.202 -8.655 1.00 0.00 H new ATOM 0 HB3 SER A 390 94.757 17.894 -8.054 1.00 0.00 H new ATOM 0 HG SER A 390 96.983 16.424 -7.027 1.00 0.00 H new ATOM 1058 N GLY A 391 97.256 15.407 -10.690 1.00 0.00 N ATOM 1059 CA GLY A 391 98.556 14.943 -11.159 1.00 0.00 C ATOM 1060 C GLY A 391 99.168 13.947 -10.180 1.00 0.00 C ATOM 1061 O GLY A 391 98.479 13.068 -9.661 1.00 0.00 O ATOM 0 H GLY A 391 96.537 15.457 -11.412 1.00 0.00 H new ATOM 0 HA2 GLY A 391 98.448 14.476 -12.138 1.00 0.00 H new ATOM 0 HA3 GLY A 391 99.226 15.794 -11.284 1.00 0.00 H new ATOM 1065 N VAL A 392 100.467 14.090 -9.934 1.00 0.00 N ATOM 1066 CA VAL A 392 101.172 13.197 -9.015 1.00 0.00 C ATOM 1067 C VAL A 392 102.360 13.910 -8.376 1.00 0.00 C ATOM 1068 O VAL A 392 103.288 14.332 -9.065 1.00 0.00 O ATOM 1069 CB VAL A 392 101.666 11.958 -9.768 1.00 0.00 C ATOM 1070 CG1 VAL A 392 102.480 11.075 -8.821 1.00 0.00 C ATOM 1071 CG2 VAL A 392 100.467 11.167 -10.296 1.00 0.00 C ATOM 0 H VAL A 392 101.052 14.812 -10.355 1.00 0.00 H new ATOM 0 HA VAL A 392 100.479 12.896 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 392 102.292 12.269 -10.604 1.00 0.00 H new ATOM 0 HG11 VAL A 392 102.831 10.193 -9.357 1.00 0.00 H new ATOM 0 HG12 VAL A 392 103.336 11.636 -8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 392 101.854 10.765 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 392 100.820 10.286 -10.832 1.00 0.00 H new ATOM 0 HG22 VAL A 392 99.839 10.857 -9.461 1.00 0.00 H new ATOM 0 HG23 VAL A 392 99.887 11.794 -10.972 1.00 0.00 H new ATOM 1081 N TYR A 393 102.325 14.035 -7.053 1.00 0.00 N ATOM 1082 CA TYR A 393 103.406 14.692 -6.326 1.00 0.00 C ATOM 1083 C TYR A 393 104.589 13.742 -6.167 1.00 0.00 C ATOM 1084 O TYR A 393 104.414 12.575 -5.819 1.00 0.00 O ATOM 1085 CB TYR A 393 102.917 15.139 -4.947 1.00 0.00 C ATOM 1086 CG TYR A 393 101.647 15.945 -5.099 1.00 0.00 C ATOM 1087 CD1 TYR A 393 101.702 17.241 -5.626 1.00 0.00 C ATOM 1088 CD2 TYR A 393 100.417 15.397 -4.713 1.00 0.00 C ATOM 1089 CE1 TYR A 393 100.527 17.990 -5.768 1.00 0.00 C ATOM 1090 CE2 TYR A 393 99.242 16.147 -4.855 1.00 0.00 C ATOM 1091 CZ TYR A 393 99.297 17.443 -5.381 1.00 0.00 C ATOM 1092 OH TYR A 393 98.140 18.181 -5.520 1.00 0.00 O ATOM 0 H TYR A 393 101.565 13.692 -6.465 1.00 0.00 H new ATOM 0 HA TYR A 393 103.725 15.566 -6.894 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.735 14.270 -4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.683 15.737 -4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 393 102.651 17.663 -5.923 1.00 0.00 H new ATOM 0 HD2 TYR A 393 100.374 14.397 -4.306 1.00 0.00 H new ATOM 0 HE1 TYR A 393 100.569 18.989 -6.176 1.00 0.00 H new ATOM 0 HE2 TYR A 393 98.293 15.725 -4.558 1.00 0.00 H new ATOM 0 HH TYR A 393 97.395 17.583 -5.741 1.00 0.00 H new ATOM 1102 N ALA A 394 105.793 14.247 -6.431 1.00 0.00 N ATOM 1103 CA ALA A 394 106.998 13.427 -6.322 1.00 0.00 C ATOM 1104 C ALA A 394 106.935 12.526 -5.089 1.00 0.00 C ATOM 1105 O ALA A 394 106.896 11.301 -5.209 1.00 0.00 O ATOM 1106 CB ALA A 394 108.232 14.326 -6.233 1.00 0.00 C ATOM 0 H ALA A 394 105.960 15.211 -6.719 1.00 0.00 H new ATOM 0 HA ALA A 394 107.064 12.798 -7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 394 109.127 13.709 -6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 394 108.297 14.944 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.153 14.967 -5.355 1.00 0.00 H new ATOM 1112 N SER A 395 106.928 13.137 -3.906 1.00 0.00 N ATOM 1113 CA SER A 395 106.871 12.381 -2.654 1.00 0.00 C ATOM 1114 C SER A 395 105.954 13.078 -1.654 1.00 0.00 C ATOM 1115 O SER A 395 105.190 13.971 -2.017 1.00 0.00 O ATOM 1116 CB SER A 395 108.273 12.254 -2.059 1.00 0.00 C ATOM 1117 OG SER A 395 108.662 13.502 -1.501 1.00 0.00 O ATOM 0 H SER A 395 106.961 14.149 -3.787 1.00 0.00 H new ATOM 0 HA SER A 395 106.475 11.388 -2.865 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.286 11.480 -1.292 1.00 0.00 H new ATOM 0 HB3 SER A 395 108.981 11.951 -2.830 1.00 0.00 H new ATOM 0 HG SER A 395 109.560 13.423 -1.117 1.00 0.00 H new ATOM 1123 N LYS A 396 106.035 12.663 -0.394 1.00 0.00 N ATOM 1124 CA LYS A 396 105.205 13.256 0.649 1.00 0.00 C ATOM 1125 C LYS A 396 105.583 14.716 0.869 1.00 0.00 C ATOM 1126 O LYS A 396 104.798 15.497 1.408 1.00 0.00 O ATOM 1127 CB LYS A 396 105.374 12.480 1.957 1.00 0.00 C ATOM 1128 CG LYS A 396 104.257 12.864 2.929 1.00 0.00 C ATOM 1129 CD LYS A 396 104.425 12.085 4.235 1.00 0.00 C ATOM 1130 CE LYS A 396 103.338 12.509 5.225 1.00 0.00 C ATOM 1131 NZ LYS A 396 103.347 11.586 6.396 1.00 0.00 N ATOM 0 H LYS A 396 106.661 11.925 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 396 104.164 13.206 0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 396 105.347 11.408 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 396 106.346 12.699 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 396 104.285 13.936 3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 396 103.285 12.647 2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 396 104.359 11.014 4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 396 105.411 12.273 4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 396 103.510 13.534 5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 396 102.362 12.490 4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 102.609 11.873 7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 103.163 10.614 6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 104.276 11.626 6.862 1.00 0.00 H new ATOM 1145 N GLU A 397 106.791 15.079 0.451 1.00 0.00 N ATOM 1146 CA GLU A 397 107.264 16.449 0.610 1.00 0.00 C ATOM 1147 C GLU A 397 106.337 17.424 -0.110 1.00 0.00 C ATOM 1148 O GLU A 397 105.481 18.054 0.512 1.00 0.00 O ATOM 1149 CB GLU A 397 108.681 16.580 0.046 1.00 0.00 C ATOM 1150 CG GLU A 397 109.136 18.038 0.140 1.00 0.00 C ATOM 1151 CD GLU A 397 110.644 18.129 -0.072 1.00 0.00 C ATOM 1152 OE1 GLU A 397 111.054 18.270 -1.213 1.00 0.00 O ATOM 1153 OE2 GLU A 397 111.366 18.056 0.909 1.00 0.00 O ATOM 0 H GLU A 397 107.456 14.449 0.003 1.00 0.00 H new ATOM 0 HA GLU A 397 107.271 16.690 1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 397 109.365 15.938 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 397 108.703 16.247 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 397 108.618 18.638 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 397 108.872 18.448 1.115 1.00 0.00 H new ATOM 1160 N GLU A 398 106.515 17.545 -1.421 1.00 0.00 N ATOM 1161 CA GLU A 398 105.691 18.448 -2.215 1.00 0.00 C ATOM 1162 C GLU A 398 104.210 18.220 -1.928 1.00 0.00 C ATOM 1163 O GLU A 398 103.404 19.148 -1.995 1.00 0.00 O ATOM 1164 CB GLU A 398 105.962 18.229 -3.705 1.00 0.00 C ATOM 1165 CG GLU A 398 107.448 18.455 -3.992 1.00 0.00 C ATOM 1166 CD GLU A 398 107.767 19.946 -3.949 1.00 0.00 C ATOM 1167 OE1 GLU A 398 107.956 20.459 -2.858 1.00 0.00 O ATOM 1168 OE2 GLU A 398 107.817 20.552 -5.006 1.00 0.00 O ATOM 0 H GLU A 398 107.218 17.033 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 398 105.947 19.472 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 398 105.675 17.218 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 398 105.358 18.914 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 398 108.053 17.924 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 398 107.704 18.048 -4.970 1.00 0.00 H new ATOM 1175 N ALA A 399 103.858 16.978 -1.608 1.00 0.00 N ATOM 1176 CA ALA A 399 102.469 16.641 -1.315 1.00 0.00 C ATOM 1177 C ALA A 399 101.929 17.512 -0.184 1.00 0.00 C ATOM 1178 O ALA A 399 100.897 18.167 -0.332 1.00 0.00 O ATOM 1179 CB ALA A 399 102.361 15.167 -0.919 1.00 0.00 C ATOM 0 H ALA A 399 104.509 16.195 -1.545 1.00 0.00 H new ATOM 0 HA ALA A 399 101.877 16.822 -2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.321 14.924 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.716 14.543 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.969 14.983 -0.033 1.00 0.00 H new ATOM 1185 N LYS A 400 102.632 17.516 0.944 1.00 0.00 N ATOM 1186 CA LYS A 400 102.212 18.311 2.092 1.00 0.00 C ATOM 1187 C LYS A 400 102.068 19.779 1.706 1.00 0.00 C ATOM 1188 O LYS A 400 101.093 20.435 2.072 1.00 0.00 O ATOM 1189 CB LYS A 400 103.233 18.176 3.223 1.00 0.00 C ATOM 1190 CG LYS A 400 102.735 18.934 4.457 1.00 0.00 C ATOM 1191 CD LYS A 400 103.532 18.494 5.688 1.00 0.00 C ATOM 1192 CE LYS A 400 105.027 18.709 5.439 1.00 0.00 C ATOM 1193 NZ LYS A 400 105.757 18.670 6.737 1.00 0.00 N ATOM 0 H LYS A 400 103.489 16.982 1.087 1.00 0.00 H new ATOM 0 HA LYS A 400 101.244 17.941 2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 400 103.385 17.124 3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 400 104.198 18.572 2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 400 102.845 20.008 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 400 101.673 18.741 4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 400 103.214 19.063 6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 400 103.337 17.443 5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 400 105.410 17.938 4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 400 105.190 19.667 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 106.773 18.816 6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 105.398 19.421 7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 105.611 17.745 7.190 1.00 0.00 H new ATOM 1207 N LYS A 401 103.046 20.289 0.965 1.00 0.00 N ATOM 1208 CA LYS A 401 103.017 21.683 0.536 1.00 0.00 C ATOM 1209 C LYS A 401 101.928 21.901 -0.510 1.00 0.00 C ATOM 1210 O LYS A 401 101.364 22.990 -0.615 1.00 0.00 O ATOM 1211 CB LYS A 401 104.375 22.078 -0.049 1.00 0.00 C ATOM 1212 CG LYS A 401 105.421 22.115 1.068 1.00 0.00 C ATOM 1213 CD LYS A 401 106.819 22.203 0.454 1.00 0.00 C ATOM 1214 CE LYS A 401 107.855 22.373 1.567 1.00 0.00 C ATOM 1215 NZ LYS A 401 107.574 23.627 2.321 1.00 0.00 N ATOM 0 H LYS A 401 103.862 19.764 0.651 1.00 0.00 H new ATOM 0 HA LYS A 401 102.800 22.305 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 401 104.673 21.365 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 401 104.306 23.054 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 401 105.243 22.971 1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 401 105.340 21.222 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 401 107.032 21.302 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 401 106.872 23.043 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 401 107.824 21.517 2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 401 108.858 22.409 1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 108.467 24.122 2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 106.955 24.241 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 107.103 23.394 3.219 1.00 0.00 H new ATOM 1229 N ALA A 402 101.638 20.859 -1.282 1.00 0.00 N ATOM 1230 CA ALA A 402 100.614 20.949 -2.317 1.00 0.00 C ATOM 1231 C ALA A 402 99.328 21.542 -1.751 1.00 0.00 C ATOM 1232 O ALA A 402 98.660 22.340 -2.408 1.00 0.00 O ATOM 1233 CB ALA A 402 100.328 19.561 -2.892 1.00 0.00 C ATOM 0 H ALA A 402 102.093 19.949 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 402 100.983 21.601 -3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 402 99.562 19.638 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 402 101.241 19.152 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 402 99.977 18.903 -2.097 1.00 0.00 H new ATOM 1239 N VAL A 403 98.986 21.144 -0.530 1.00 0.00 N ATOM 1240 CA VAL A 403 97.775 21.641 0.114 1.00 0.00 C ATOM 1241 C VAL A 403 97.745 23.167 0.100 1.00 0.00 C ATOM 1242 O VAL A 403 96.771 23.774 -0.347 1.00 0.00 O ATOM 1243 CB VAL A 403 97.709 21.141 1.558 1.00 0.00 C ATOM 1244 CG1 VAL A 403 96.455 21.698 2.234 1.00 0.00 C ATOM 1245 CG2 VAL A 403 97.654 19.612 1.566 1.00 0.00 C ATOM 0 H VAL A 403 99.525 20.484 0.030 1.00 0.00 H new ATOM 0 HA VAL A 403 96.914 21.268 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 403 98.594 21.477 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 403 96.408 21.342 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 403 96.492 22.787 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 403 95.570 21.362 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 403 97.607 19.255 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 403 96.769 19.277 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 403 98.547 19.213 1.084 1.00 0.00 H new ATOM 1255 N SER A 404 98.816 23.781 0.596 1.00 0.00 N ATOM 1256 CA SER A 404 98.901 25.238 0.640 1.00 0.00 C ATOM 1257 C SER A 404 98.415 25.851 -0.671 1.00 0.00 C ATOM 1258 O SER A 404 97.740 26.879 -0.672 1.00 0.00 O ATOM 1259 CB SER A 404 100.346 25.665 0.900 1.00 0.00 C ATOM 1260 OG SER A 404 100.775 25.135 2.148 1.00 0.00 O ATOM 0 H SER A 404 99.632 23.297 0.971 1.00 0.00 H new ATOM 0 HA SER A 404 98.262 25.594 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 404 100.993 25.308 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.420 26.752 0.909 1.00 0.00 H new ATOM 0 HG SER A 404 101.702 25.405 2.317 1.00 0.00 H new ATOM 1266 N THR A 405 98.766 25.214 -1.782 1.00 0.00 N ATOM 1267 CA THR A 405 98.362 25.710 -3.093 1.00 0.00 C ATOM 1268 C THR A 405 96.844 25.666 -3.241 1.00 0.00 C ATOM 1269 O THR A 405 96.217 26.665 -3.595 1.00 0.00 O ATOM 1270 CB THR A 405 99.009 24.868 -4.197 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.291 23.651 -4.345 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.461 24.565 -3.825 1.00 0.00 C ATOM 0 H THR A 405 99.324 24.361 -1.803 1.00 0.00 H new ATOM 0 HA THR A 405 98.695 26.744 -3.184 1.00 0.00 H new ATOM 0 HB THR A 405 98.985 25.420 -5.137 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.766 22.932 -3.878 1.00 0.00 H new ATOM 0 HG21 THR A 405 100.921 23.966 -4.611 1.00 0.00 H new ATOM 0 HG22 THR A 405 101.011 25.500 -3.713 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.488 24.013 -2.885 1.00 0.00 H new ATOM 1280 N LEU A 406 96.257 24.504 -2.969 1.00 0.00 N ATOM 1281 CA LEU A 406 94.812 24.347 -3.077 1.00 0.00 C ATOM 1282 C LEU A 406 94.101 25.449 -2.284 1.00 0.00 C ATOM 1283 O LEU A 406 94.614 25.902 -1.261 1.00 0.00 O ATOM 1284 CB LEU A 406 94.396 22.973 -2.536 1.00 0.00 C ATOM 1285 CG LEU A 406 95.361 21.894 -3.041 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.818 20.512 -2.670 1.00 0.00 C ATOM 1287 CD2 LEU A 406 95.498 21.995 -4.564 1.00 0.00 C ATOM 0 H LEU A 406 96.756 23.664 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 406 94.527 24.424 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.393 22.988 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.380 22.741 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 406 96.338 22.040 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.503 19.744 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 406 94.723 20.437 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.840 20.370 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 406 96.185 21.227 -4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 406 94.522 21.852 -5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 406 95.885 22.979 -4.830 1.00 0.00 H new ATOM 1299 N PRO A 407 92.941 25.889 -2.718 1.00 0.00 N ATOM 1300 CA PRO A 407 92.179 26.959 -2.005 1.00 0.00 C ATOM 1301 C PRO A 407 91.571 26.447 -0.699 1.00 0.00 C ATOM 1302 O PRO A 407 91.722 25.276 -0.349 1.00 0.00 O ATOM 1303 CB PRO A 407 91.093 27.358 -3.013 1.00 0.00 C ATOM 1304 CG PRO A 407 90.864 26.128 -3.828 1.00 0.00 C ATOM 1305 CD PRO A 407 92.223 25.430 -3.925 1.00 0.00 C ATOM 0 HA PRO A 407 92.810 27.797 -1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 407 90.180 27.674 -2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.418 28.191 -3.636 1.00 0.00 H new ATOM 0 HG2 PRO A 407 90.125 25.480 -3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.483 26.380 -4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 407 92.116 24.345 -3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 407 92.752 25.709 -4.836 1.00 0.00 H new ATOM 1313 N ALA A 408 90.883 27.332 0.015 1.00 0.00 N ATOM 1314 CA ALA A 408 90.257 26.959 1.278 1.00 0.00 C ATOM 1315 C ALA A 408 89.206 25.876 1.058 1.00 0.00 C ATOM 1316 O ALA A 408 89.253 24.817 1.681 1.00 0.00 O ATOM 1317 CB ALA A 408 89.602 28.185 1.918 1.00 0.00 C ATOM 0 H ALA A 408 90.745 28.305 -0.257 1.00 0.00 H new ATOM 0 HA ALA A 408 91.029 26.570 1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 408 89.137 27.898 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.359 28.947 2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 408 88.843 28.585 1.246 1.00 0.00 H new ATOM 1323 N ASP A 409 88.256 26.152 0.171 1.00 0.00 N ATOM 1324 CA ASP A 409 87.189 25.197 -0.124 1.00 0.00 C ATOM 1325 C ASP A 409 87.737 23.775 -0.227 1.00 0.00 C ATOM 1326 O ASP A 409 87.117 22.827 0.255 1.00 0.00 O ATOM 1327 CB ASP A 409 86.502 25.576 -1.437 1.00 0.00 C ATOM 1328 CG ASP A 409 85.783 26.912 -1.284 1.00 0.00 C ATOM 1329 OD1 ASP A 409 85.923 27.520 -0.235 1.00 0.00 O ATOM 1330 OD2 ASP A 409 85.103 27.306 -2.216 1.00 0.00 O ATOM 0 H ASP A 409 88.201 27.024 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 409 86.468 25.231 0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 409 87.239 25.640 -2.237 1.00 0.00 H new ATOM 0 HB3 ASP A 409 85.790 24.801 -1.721 1.00 0.00 H new ATOM 1335 N VAL A 410 88.896 23.634 -0.861 1.00 0.00 N ATOM 1336 CA VAL A 410 89.512 22.320 -1.025 1.00 0.00 C ATOM 1337 C VAL A 410 90.233 21.897 0.256 1.00 0.00 C ATOM 1338 O VAL A 410 90.170 20.736 0.659 1.00 0.00 O ATOM 1339 CB VAL A 410 90.504 22.356 -2.193 1.00 0.00 C ATOM 1340 CG1 VAL A 410 91.273 21.033 -2.261 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.733 22.565 -3.500 1.00 0.00 C ATOM 0 H VAL A 410 89.425 24.406 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 410 88.728 21.593 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 410 91.210 23.173 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.977 21.064 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.818 20.881 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 410 90.572 20.212 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.433 22.592 -4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 410 89.029 21.745 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 410 89.187 23.507 -3.454 1.00 0.00 H new ATOM 1351 N GLN A 411 90.924 22.842 0.885 1.00 0.00 N ATOM 1352 CA GLN A 411 91.656 22.550 2.113 1.00 0.00 C ATOM 1353 C GLN A 411 90.695 22.198 3.248 1.00 0.00 C ATOM 1354 O GLN A 411 91.042 21.441 4.154 1.00 0.00 O ATOM 1355 CB GLN A 411 92.506 23.758 2.514 1.00 0.00 C ATOM 1356 CG GLN A 411 93.437 23.371 3.667 1.00 0.00 C ATOM 1357 CD GLN A 411 94.220 24.592 4.138 1.00 0.00 C ATOM 1358 OE1 GLN A 411 93.815 25.261 5.089 1.00 0.00 O ATOM 1359 NE2 GLN A 411 95.324 24.923 3.526 1.00 0.00 N ATOM 0 H GLN A 411 90.993 23.809 0.568 1.00 0.00 H new ATOM 0 HA GLN A 411 92.305 21.694 1.929 1.00 0.00 H new ATOM 0 HB2 GLN A 411 93.091 24.103 1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.862 24.585 2.815 1.00 0.00 H new ATOM 0 HG2 GLN A 411 92.856 22.961 4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 411 94.125 22.590 3.343 1.00 0.00 H new ATOM 0 HE21 GLN A 411 95.657 24.367 2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.854 25.738 3.835 1.00 0.00 H new ATOM 1368 N ALA A 412 89.489 22.754 3.195 1.00 0.00 N ATOM 1369 CA ALA A 412 88.489 22.492 4.226 1.00 0.00 C ATOM 1370 C ALA A 412 88.133 21.009 4.263 1.00 0.00 C ATOM 1371 O ALA A 412 87.699 20.489 5.291 1.00 0.00 O ATOM 1372 CB ALA A 412 87.229 23.315 3.952 1.00 0.00 C ATOM 0 H ALA A 412 89.181 23.385 2.455 1.00 0.00 H new ATOM 0 HA ALA A 412 88.906 22.778 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 412 86.488 23.114 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 412 87.479 24.376 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 412 86.821 23.042 2.979 1.00 0.00 H new ATOM 1378 N LYS A 413 88.321 20.335 3.135 1.00 0.00 N ATOM 1379 CA LYS A 413 88.019 18.910 3.042 1.00 0.00 C ATOM 1380 C LYS A 413 89.146 18.095 3.664 1.00 0.00 C ATOM 1381 O LYS A 413 89.116 16.864 3.654 1.00 0.00 O ATOM 1382 CB LYS A 413 87.835 18.501 1.570 1.00 0.00 C ATOM 1383 CG LYS A 413 87.198 19.645 0.775 1.00 0.00 C ATOM 1384 CD LYS A 413 85.822 20.006 1.357 1.00 0.00 C ATOM 1385 CE LYS A 413 84.883 18.793 1.294 1.00 0.00 C ATOM 1386 NZ LYS A 413 83.469 19.265 1.265 1.00 0.00 N ATOM 0 H LYS A 413 88.680 20.749 2.275 1.00 0.00 H new ATOM 0 HA LYS A 413 87.094 18.714 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 413 88.800 18.240 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 413 87.207 17.612 1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 413 87.850 20.519 0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 413 87.092 19.354 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 413 85.932 20.337 2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 413 85.391 20.838 0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 413 85.098 18.198 0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 413 85.045 18.148 2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 82.830 18.445 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 83.269 19.815 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 83.320 19.864 0.428 1.00 0.00 H new ATOM 1400 N ASN A 414 90.140 18.792 4.199 1.00 0.00 N ATOM 1401 CA ASN A 414 91.281 18.134 4.820 1.00 0.00 C ATOM 1402 C ASN A 414 91.756 16.952 3.977 1.00 0.00 C ATOM 1403 O ASN A 414 91.635 15.798 4.386 1.00 0.00 O ATOM 1404 CB ASN A 414 90.911 17.651 6.222 1.00 0.00 C ATOM 1405 CG ASN A 414 92.136 17.050 6.906 1.00 0.00 C ATOM 1406 OD1 ASN A 414 92.459 15.883 6.687 1.00 0.00 O ATOM 1407 ND2 ASN A 414 92.840 17.782 7.724 1.00 0.00 N ATOM 0 H ASN A 414 90.179 19.811 4.215 1.00 0.00 H new ATOM 0 HA ASN A 414 92.093 18.858 4.889 1.00 0.00 H new ATOM 0 HB2 ASN A 414 90.526 18.482 6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 414 90.116 16.907 6.162 1.00 0.00 H new ATOM 0 HD21 ASN A 414 93.660 17.387 8.184 1.00 0.00 H new ATOM 0 HD22 ASN A 414 92.570 18.749 7.904 1.00 0.00 H new ATOM 1414 N PRO A 415 92.293 17.223 2.816 1.00 0.00 N ATOM 1415 CA PRO A 415 92.801 16.164 1.893 1.00 0.00 C ATOM 1416 C PRO A 415 93.722 15.171 2.605 1.00 0.00 C ATOM 1417 O PRO A 415 94.924 15.404 2.727 1.00 0.00 O ATOM 1418 CB PRO A 415 93.558 16.959 0.819 1.00 0.00 C ATOM 1419 CG PRO A 415 92.907 18.305 0.808 1.00 0.00 C ATOM 1420 CD PRO A 415 92.472 18.572 2.251 1.00 0.00 C ATOM 0 HA PRO A 415 91.998 15.550 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 415 94.619 17.035 1.058 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.484 16.476 -0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 415 93.600 19.071 0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 415 92.051 18.320 0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 415 93.225 19.139 2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 415 91.548 19.149 2.291 1.00 0.00 H new ATOM 1428 N TRP A 416 93.150 14.065 3.071 1.00 0.00 N ATOM 1429 CA TRP A 416 93.938 13.052 3.764 1.00 0.00 C ATOM 1430 C TRP A 416 94.811 12.284 2.776 1.00 0.00 C ATOM 1431 O TRP A 416 94.377 11.954 1.673 1.00 0.00 O ATOM 1432 CB TRP A 416 93.019 12.086 4.520 1.00 0.00 C ATOM 1433 CG TRP A 416 92.144 11.344 3.558 1.00 0.00 C ATOM 1434 CD1 TRP A 416 91.082 11.870 2.904 1.00 0.00 C ATOM 1435 CD2 TRP A 416 92.229 9.950 3.145 1.00 0.00 C ATOM 1436 NE1 TRP A 416 90.515 10.888 2.112 1.00 0.00 N ATOM 1437 CE2 TRP A 416 91.186 9.686 2.227 1.00 0.00 C ATOM 1438 CE3 TRP A 416 93.104 8.897 3.474 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 91.015 8.425 1.656 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 92.934 7.627 2.901 1.00 0.00 C ATOM 1441 CH2 TRP A 416 91.892 7.390 1.994 1.00 0.00 C ATOM 0 H TRP A 416 92.157 13.849 2.983 1.00 0.00 H new ATOM 0 HA TRP A 416 94.586 13.553 4.483 1.00 0.00 H new ATOM 0 HB2 TRP A 416 93.617 11.381 5.097 1.00 0.00 H new ATOM 0 HB3 TRP A 416 92.404 12.639 5.230 1.00 0.00 H new ATOM 0 HD1 TRP A 416 90.734 12.889 2.987 1.00 0.00 H new ATOM 0 HE1 TRP A 416 89.700 11.034 1.516 1.00 0.00 H new ATOM 0 HE3 TRP A 416 93.911 9.068 4.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 90.210 8.249 0.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 93.611 6.827 3.161 1.00 0.00 H new ATOM 0 HH2 TRP A 416 91.767 6.410 1.557 1.00 0.00 H new ATOM 1452 N ALA A 417 96.049 12.016 3.180 1.00 0.00 N ATOM 1453 CA ALA A 417 96.990 11.299 2.325 1.00 0.00 C ATOM 1454 C ALA A 417 96.437 9.938 1.915 1.00 0.00 C ATOM 1455 O ALA A 417 96.429 8.996 2.708 1.00 0.00 O ATOM 1456 CB ALA A 417 98.319 11.111 3.058 1.00 0.00 C ATOM 0 H ALA A 417 96.423 12.283 4.090 1.00 0.00 H new ATOM 0 HA ALA A 417 97.146 11.892 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 417 99.017 10.575 2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 417 98.735 12.086 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 417 98.153 10.538 3.970 1.00 0.00 H new ATOM 1462 N LYS A 418 95.967 9.847 0.669 1.00 0.00 N ATOM 1463 CA LYS A 418 95.401 8.600 0.142 1.00 0.00 C ATOM 1464 C LYS A 418 96.272 8.043 -0.991 1.00 0.00 C ATOM 1465 O LYS A 418 95.993 8.281 -2.165 1.00 0.00 O ATOM 1466 CB LYS A 418 93.989 8.871 -0.395 1.00 0.00 C ATOM 1467 CG LYS A 418 93.972 10.202 -1.161 1.00 0.00 C ATOM 1468 CD LYS A 418 92.767 10.243 -2.108 1.00 0.00 C ATOM 1469 CE LYS A 418 91.478 9.947 -1.331 1.00 0.00 C ATOM 1470 NZ LYS A 418 91.323 8.475 -1.169 1.00 0.00 N ATOM 0 H LYS A 418 95.966 10.621 0.005 1.00 0.00 H new ATOM 0 HA LYS A 418 95.364 7.867 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.677 8.059 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 418 93.277 8.906 0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 418 93.923 11.035 -0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 418 94.896 10.317 -1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 418 92.699 11.223 -2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 418 92.896 9.512 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 418 91.511 10.430 -0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 418 90.619 10.358 -1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 90.356 8.197 -1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 92.003 7.985 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 91.502 8.214 -0.178 1.00 0.00 H new ATOM 1484 N PRO A 419 97.308 7.304 -0.672 1.00 0.00 N ATOM 1485 CA PRO A 419 98.210 6.707 -1.704 1.00 0.00 C ATOM 1486 C PRO A 419 97.423 6.037 -2.829 1.00 0.00 C ATOM 1487 O PRO A 419 96.419 5.368 -2.583 1.00 0.00 O ATOM 1488 CB PRO A 419 99.034 5.687 -0.909 1.00 0.00 C ATOM 1489 CG PRO A 419 99.076 6.234 0.482 1.00 0.00 C ATOM 1490 CD PRO A 419 97.740 6.955 0.694 1.00 0.00 C ATOM 0 HA PRO A 419 98.826 7.454 -2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 419 98.572 4.700 -0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 419 100.037 5.579 -1.323 1.00 0.00 H new ATOM 0 HG2 PRO A 419 99.208 5.435 1.211 1.00 0.00 H new ATOM 0 HG3 PRO A 419 99.914 6.920 0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 419 97.013 6.313 1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 419 97.859 7.843 1.315 1.00 0.00 H new ATOM 1498 N LEU A 420 97.882 6.224 -4.062 1.00 0.00 N ATOM 1499 CA LEU A 420 97.206 5.633 -5.212 1.00 0.00 C ATOM 1500 C LEU A 420 97.153 4.114 -5.086 1.00 0.00 C ATOM 1501 O LEU A 420 96.580 3.430 -5.933 1.00 0.00 O ATOM 1502 CB LEU A 420 97.922 6.027 -6.510 1.00 0.00 C ATOM 1503 CG LEU A 420 99.430 5.738 -6.407 1.00 0.00 C ATOM 1504 CD1 LEU A 420 99.702 4.217 -6.410 1.00 0.00 C ATOM 1505 CD2 LEU A 420 100.141 6.399 -7.596 1.00 0.00 C ATOM 0 H LEU A 420 98.710 6.774 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 420 96.185 6.014 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 420 97.497 5.475 -7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 420 97.762 7.086 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 420 99.809 6.145 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 420 100.775 4.039 -6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 420 99.198 3.756 -5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 420 99.325 3.782 -7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 420 101.211 6.202 -7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 420 99.749 5.990 -8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 420 99.968 7.475 -7.571 1.00 0.00 H new ATOM 1517 N ARG A 421 97.758 3.593 -4.022 1.00 0.00 N ATOM 1518 CA ARG A 421 97.778 2.152 -3.794 1.00 0.00 C ATOM 1519 C ARG A 421 96.436 1.675 -3.245 1.00 0.00 C ATOM 1520 O ARG A 421 95.997 0.563 -3.535 1.00 0.00 O ATOM 1521 CB ARG A 421 98.890 1.798 -2.804 1.00 0.00 C ATOM 1522 CG ARG A 421 99.109 0.284 -2.799 1.00 0.00 C ATOM 1523 CD ARG A 421 100.165 -0.075 -1.753 1.00 0.00 C ATOM 1524 NE ARG A 421 99.752 0.398 -0.436 1.00 0.00 N ATOM 1525 CZ ARG A 421 100.462 0.113 0.651 1.00 0.00 C ATOM 1526 NH1 ARG A 421 101.549 -0.602 0.551 1.00 0.00 N ATOM 1527 NH2 ARG A 421 100.071 0.549 1.818 1.00 0.00 N ATOM 0 H ARG A 421 98.238 4.143 -3.309 1.00 0.00 H new ATOM 0 HA ARG A 421 97.964 1.655 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 421 99.813 2.308 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 421 98.623 2.140 -1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 421 98.173 -0.229 -2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 421 99.430 -0.051 -3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 421 100.312 -1.155 -1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 421 101.122 0.371 -2.024 1.00 0.00 H new ATOM 0 HE ARG A 421 98.904 0.957 -0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 421 101.854 -0.942 -0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 421 102.094 -0.821 1.385 1.00 0.00 H new ATOM 0 HH21 ARG A 421 99.221 1.108 1.895 1.00 0.00 H new ATOM 0 HH22 ARG A 421 100.615 0.331 2.653 1.00 0.00 H new ATOM 1541 N GLN A 422 95.793 2.522 -2.447 1.00 0.00 N ATOM 1542 CA GLN A 422 94.504 2.173 -1.861 1.00 0.00 C ATOM 1543 C GLN A 422 93.386 2.334 -2.885 1.00 0.00 C ATOM 1544 O GLN A 422 92.324 1.722 -2.758 1.00 0.00 O ATOM 1545 CB GLN A 422 94.221 3.061 -0.649 1.00 0.00 C ATOM 1546 CG GLN A 422 95.252 2.775 0.446 1.00 0.00 C ATOM 1547 CD GLN A 422 95.154 3.831 1.542 1.00 0.00 C ATOM 1548 OE1 GLN A 422 94.732 4.958 1.283 1.00 0.00 O ATOM 1549 NE2 GLN A 422 95.522 3.531 2.757 1.00 0.00 N ATOM 0 H GLN A 422 96.140 3.447 -2.193 1.00 0.00 H new ATOM 0 HA GLN A 422 94.543 1.131 -1.545 1.00 0.00 H new ATOM 0 HB2 GLN A 422 94.263 4.111 -0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 422 93.215 2.873 -0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 422 95.082 1.784 0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 422 96.256 2.772 0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 422 95.871 2.596 2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 422 95.461 4.231 3.496 1.00 0.00 H new ATOM 1558 N VAL A 423 93.629 3.154 -3.900 1.00 0.00 N ATOM 1559 CA VAL A 423 92.630 3.377 -4.939 1.00 0.00 C ATOM 1560 C VAL A 423 92.456 2.117 -5.777 1.00 0.00 C ATOM 1561 O VAL A 423 91.508 2.000 -6.554 1.00 0.00 O ATOM 1562 CB VAL A 423 93.059 4.537 -5.838 1.00 0.00 C ATOM 1563 CG1 VAL A 423 91.943 4.851 -6.837 1.00 0.00 C ATOM 1564 CG2 VAL A 423 93.333 5.773 -4.978 1.00 0.00 C ATOM 0 H VAL A 423 94.499 3.671 -4.026 1.00 0.00 H new ATOM 0 HA VAL A 423 91.680 3.624 -4.464 1.00 0.00 H new ATOM 0 HB VAL A 423 93.964 4.260 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 423 92.250 5.678 -7.477 1.00 0.00 H new ATOM 0 HG12 VAL A 423 91.745 3.972 -7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 423 91.038 5.127 -6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 423 93.639 6.601 -5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 423 92.427 6.048 -4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 423 94.128 5.552 -4.266 1.00 0.00 H new ATOM 1574 N GLN A 424 93.377 1.173 -5.611 1.00 0.00 N ATOM 1575 CA GLN A 424 93.316 -0.080 -6.355 1.00 0.00 C ATOM 1576 C GLN A 424 91.943 -0.724 -6.198 1.00 0.00 C ATOM 1577 O GLN A 424 91.619 -1.697 -6.880 1.00 0.00 O ATOM 1578 CB GLN A 424 94.395 -1.041 -5.849 1.00 0.00 C ATOM 1579 CG GLN A 424 95.769 -0.556 -6.317 1.00 0.00 C ATOM 1580 CD GLN A 424 96.849 -1.525 -5.851 1.00 0.00 C ATOM 1581 OE1 GLN A 424 97.064 -2.564 -6.475 1.00 0.00 O ATOM 1582 NE2 GLN A 424 97.547 -1.247 -4.783 1.00 0.00 N ATOM 0 H GLN A 424 94.169 1.251 -4.973 1.00 0.00 H new ATOM 0 HA GLN A 424 93.488 0.134 -7.410 1.00 0.00 H new ATOM 0 HB2 GLN A 424 94.368 -1.095 -4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 424 94.206 -2.047 -6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 424 95.785 -0.476 -7.404 1.00 0.00 H new ATOM 0 HG3 GLN A 424 95.967 0.440 -5.921 1.00 0.00 H new ATOM 0 HE21 GLN A 424 97.368 -0.386 -4.267 1.00 0.00 H new ATOM 0 HE22 GLN A 424 98.271 -1.891 -4.465 1.00 0.00 H new