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 366 LYS NZ :NH3+ 142:sc= -0.0989 (180deg=-0.724) USER MOD Set 1.2: A 373 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 356 SER OG : rot -71:sc= 1.16 USER MOD Set 2.2: A 383 GLN : amide:sc= -5.04! C(o=-3.9!,f=-5.6!) USER MOD Set 3.1: A 351 GLN : amide:sc= -5.03! C(o=-4.9!,f=-5.8!) USER MOD Set 3.2: A 354 SER OG : rot -118:sc= 0.158 USER MOD Single : A 345 SER OG : rot -39:sc= 0.245 USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 HIS : no HD1:sc= -0.288 K(o=-0.29,f=-1.6!) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot 15:sc= 0.114 USER MOD Single : A 353 SER OG : rot -160:sc= 0.372 USER MOD Single : A 355 SER OG : rot -45:sc= -0.118! USER MOD Single : A 357 ASN : amide:sc= -2.56! C(o=-2.6!,f=-2.9!) USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 ASN : amide:sc= -0.364 K(o=-0.36,f=-1.8) USER MOD Single : A 362 ASN : amide:sc= -2.29! K(o=-2.3!,f=-0.42) USER MOD Single : A 367 LYS NZ :NH3+ 158:sc= -0.094 (180deg=-0.541) USER MOD Single : A 369 ASN : amide:sc= -6.13! C(o=-6.1!,f=-5.3!) USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 376 TYR OH : rot 180:sc= -0.44 USER MOD Single : A 378 THR OG1 : rot 180:sc= 0.338 USER MOD Single : A 379 THR OG1 : rot 180:sc= 0 USER MOD Single : A 381 ASN : amide:sc= -4.18! K(o=-4.2!,f=-0.65) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 390 SER OG : rot 180:sc= -0.872 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 THR OG1 : rot -53:sc= 0.798 USER MOD Single : A 411 GLN : amide:sc= -1.08 X(o=-1.1,f=-1) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 414 ASN : amide:sc= -1.15 K(o=-1.2,f=-5.1!) USER MOD Single : A 418 LYS NZ :NH3+ -150:sc= -1.57 (180deg=-2.88!) USER MOD Single : A 422 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.28) USER MOD Single : A 424 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 103.662 2.894 -6.193 1.00 0.00 N ATOM 322 CA SER A 345 102.923 2.984 -4.938 1.00 0.00 C ATOM 323 C SER A 345 103.576 4.001 -4.008 1.00 0.00 C ATOM 324 O SER A 345 102.994 4.396 -2.997 1.00 0.00 O ATOM 325 CB SER A 345 102.882 1.617 -4.256 1.00 0.00 C ATOM 326 OG SER A 345 104.196 1.078 -4.205 1.00 0.00 O ATOM 0 HA SER A 345 101.906 3.308 -5.158 1.00 0.00 H new ATOM 0 HB2 SER A 345 102.476 1.712 -3.249 1.00 0.00 H new ATOM 0 HB3 SER A 345 102.222 0.944 -4.803 1.00 0.00 H new ATOM 0 HG SER A 345 104.665 1.278 -5.042 1.00 0.00 H new ATOM 332 N SER A 346 104.788 4.420 -4.357 1.00 0.00 N ATOM 333 CA SER A 346 105.513 5.392 -3.547 1.00 0.00 C ATOM 334 C SER A 346 104.923 6.786 -3.730 1.00 0.00 C ATOM 335 O SER A 346 104.914 7.593 -2.800 1.00 0.00 O ATOM 336 CB SER A 346 106.989 5.403 -3.943 1.00 0.00 C ATOM 337 OG SER A 346 107.448 4.066 -4.085 1.00 0.00 O ATOM 0 H SER A 346 105.286 4.104 -5.189 1.00 0.00 H new ATOM 0 HA SER A 346 105.421 5.106 -2.499 1.00 0.00 H new ATOM 0 HB2 SER A 346 107.122 5.946 -4.878 1.00 0.00 H new ATOM 0 HB3 SER A 346 107.576 5.923 -3.186 1.00 0.00 H new ATOM 0 HG SER A 346 108.394 4.070 -4.341 1.00 0.00 H new ATOM 343 N HIS A 347 104.432 7.062 -4.933 1.00 0.00 N ATOM 344 CA HIS A 347 103.841 8.363 -5.225 1.00 0.00 C ATOM 345 C HIS A 347 102.568 8.567 -4.411 1.00 0.00 C ATOM 346 O HIS A 347 101.864 7.609 -4.091 1.00 0.00 O ATOM 347 CB HIS A 347 103.520 8.467 -6.717 1.00 0.00 C ATOM 348 CG HIS A 347 104.800 8.552 -7.502 1.00 0.00 C ATOM 349 ND1 HIS A 347 104.822 8.863 -8.853 1.00 0.00 N ATOM 350 CD2 HIS A 347 106.111 8.369 -7.139 1.00 0.00 C ATOM 351 CE1 HIS A 347 106.107 8.859 -9.250 1.00 0.00 C ATOM 352 NE2 HIS A 347 106.934 8.563 -8.243 1.00 0.00 N ATOM 0 H HIS A 347 104.431 6.408 -5.716 1.00 0.00 H new ATOM 0 HA HIS A 347 104.559 9.137 -4.954 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.942 7.600 -7.037 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.906 9.347 -6.907 1.00 0.00 H new ATOM 0 HD2 HIS A 347 106.452 8.113 -6.147 1.00 0.00 H new ATOM 0 HE1 HIS A 347 106.431 9.069 -10.259 1.00 0.00 H new ATOM 0 HE2 HIS A 347 107.951 8.494 -8.277 1.00 0.00 H new ATOM 361 N TYR A 348 102.278 9.824 -4.077 1.00 0.00 N ATOM 362 CA TYR A 348 101.084 10.159 -3.295 1.00 0.00 C ATOM 363 C TYR A 348 100.059 10.878 -4.163 1.00 0.00 C ATOM 364 O TYR A 348 100.361 11.304 -5.278 1.00 0.00 O ATOM 365 CB TYR A 348 101.472 11.055 -2.114 1.00 0.00 C ATOM 366 CG TYR A 348 102.170 10.230 -1.058 1.00 0.00 C ATOM 367 CD1 TYR A 348 103.524 9.903 -1.206 1.00 0.00 C ATOM 368 CD2 TYR A 348 101.464 9.791 0.070 1.00 0.00 C ATOM 369 CE1 TYR A 348 104.170 9.139 -0.227 1.00 0.00 C ATOM 370 CE2 TYR A 348 102.111 9.027 1.047 1.00 0.00 C ATOM 371 CZ TYR A 348 103.464 8.700 0.899 1.00 0.00 C ATOM 372 OH TYR A 348 104.101 7.947 1.864 1.00 0.00 O ATOM 0 H TYR A 348 102.851 10.627 -4.334 1.00 0.00 H new ATOM 0 HA TYR A 348 100.643 9.234 -2.924 1.00 0.00 H new ATOM 0 HB2 TYR A 348 102.126 11.858 -2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 348 100.583 11.525 -1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 348 104.069 10.240 -2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 348 100.420 10.043 0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 348 105.214 8.888 -0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 348 101.566 8.689 1.916 1.00 0.00 H new ATOM 0 HH TYR A 348 103.467 7.726 2.578 1.00 0.00 H new ATOM 382 N THR A 349 98.844 11.007 -3.640 1.00 0.00 N ATOM 383 CA THR A 349 97.769 11.674 -4.365 1.00 0.00 C ATOM 384 C THR A 349 96.730 12.213 -3.388 1.00 0.00 C ATOM 385 O THR A 349 95.823 11.493 -2.972 1.00 0.00 O ATOM 386 CB THR A 349 97.098 10.692 -5.330 1.00 0.00 C ATOM 387 OG1 THR A 349 96.706 9.528 -4.618 1.00 0.00 O ATOM 388 CG2 THR A 349 98.074 10.304 -6.445 1.00 0.00 C ATOM 0 H THR A 349 98.580 10.659 -2.718 1.00 0.00 H new ATOM 0 HA THR A 349 98.194 12.503 -4.930 1.00 0.00 H new ATOM 0 HB THR A 349 96.222 11.166 -5.773 1.00 0.00 H new ATOM 0 HG1 THR A 349 96.729 9.710 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 349 97.589 9.605 -7.127 1.00 0.00 H new ATOM 0 HG22 THR A 349 98.374 11.197 -6.993 1.00 0.00 H new ATOM 0 HG23 THR A 349 98.955 9.833 -6.010 1.00 0.00 H new ATOM 396 N LEU A 350 96.868 13.483 -3.022 1.00 0.00 N ATOM 397 CA LEU A 350 95.933 14.105 -2.089 1.00 0.00 C ATOM 398 C LEU A 350 94.499 13.950 -2.594 1.00 0.00 C ATOM 399 O LEU A 350 94.245 13.230 -3.559 1.00 0.00 O ATOM 400 CB LEU A 350 96.274 15.594 -1.917 1.00 0.00 C ATOM 401 CG LEU A 350 97.444 15.771 -0.932 1.00 0.00 C ATOM 402 CD1 LEU A 350 97.007 15.439 0.510 1.00 0.00 C ATOM 403 CD2 LEU A 350 98.606 14.858 -1.344 1.00 0.00 C ATOM 0 H LEU A 350 97.611 14.098 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 350 96.019 13.608 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 350 96.536 16.027 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.400 16.133 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 350 97.765 16.812 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 350 97.852 15.572 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 350 96.196 16.105 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 350 96.664 14.406 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 350 99.433 14.985 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 350 98.275 13.819 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 350 98.936 15.120 -2.349 1.00 0.00 H new ATOM 415 N GLN A 351 93.566 14.628 -1.928 1.00 0.00 N ATOM 416 CA GLN A 351 92.149 14.565 -2.302 1.00 0.00 C ATOM 417 C GLN A 351 91.576 15.968 -2.470 1.00 0.00 C ATOM 418 O GLN A 351 91.777 16.838 -1.623 1.00 0.00 O ATOM 419 CB GLN A 351 91.366 13.819 -1.218 1.00 0.00 C ATOM 420 CG GLN A 351 89.871 13.855 -1.545 1.00 0.00 C ATOM 421 CD GLN A 351 89.120 12.871 -0.655 1.00 0.00 C ATOM 422 OE1 GLN A 351 88.549 13.264 0.362 1.00 0.00 O ATOM 423 NE2 GLN A 351 89.088 11.608 -0.977 1.00 0.00 N ATOM 0 H GLN A 351 93.763 15.228 -1.127 1.00 0.00 H new ATOM 0 HA GLN A 351 92.061 14.036 -3.251 1.00 0.00 H new ATOM 0 HB2 GLN A 351 91.709 12.786 -1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.547 14.277 -0.245 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.482 14.862 -1.397 1.00 0.00 H new ATOM 0 HG3 GLN A 351 89.713 13.603 -2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 351 89.562 11.285 -1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 351 88.589 10.943 -0.386 1.00 0.00 H new ATOM 432 N LEU A 352 90.862 16.182 -3.572 1.00 0.00 N ATOM 433 CA LEU A 352 90.260 17.484 -3.851 1.00 0.00 C ATOM 434 C LEU A 352 88.862 17.571 -3.241 1.00 0.00 C ATOM 435 O LEU A 352 88.395 18.656 -2.893 1.00 0.00 O ATOM 436 CB LEU A 352 90.176 17.705 -5.366 1.00 0.00 C ATOM 437 CG LEU A 352 91.559 18.073 -5.917 1.00 0.00 C ATOM 438 CD1 LEU A 352 92.587 17.023 -5.483 1.00 0.00 C ATOM 439 CD2 LEU A 352 91.495 18.125 -7.446 1.00 0.00 C ATOM 0 H LEU A 352 90.686 15.474 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 352 90.885 18.257 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 352 89.809 16.802 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 352 89.463 18.500 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 352 91.857 19.047 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 352 93.568 17.289 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 352 92.631 16.985 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 352 92.294 16.046 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 352 92.476 18.386 -7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 352 91.196 17.150 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 352 90.767 18.876 -7.754 1.00 0.00 H new ATOM 451 N SER A 353 88.199 16.425 -3.113 1.00 0.00 N ATOM 452 CA SER A 353 86.856 16.396 -2.543 1.00 0.00 C ATOM 453 C SER A 353 86.381 14.964 -2.339 1.00 0.00 C ATOM 454 O SER A 353 86.954 14.024 -2.885 1.00 0.00 O ATOM 455 CB SER A 353 85.880 17.127 -3.463 1.00 0.00 C ATOM 456 OG SER A 353 85.967 16.577 -4.770 1.00 0.00 O ATOM 0 H SER A 353 88.564 15.515 -3.393 1.00 0.00 H new ATOM 0 HA SER A 353 86.891 16.895 -1.574 1.00 0.00 H new ATOM 0 HB2 SER A 353 84.863 17.032 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 353 86.113 18.192 -3.487 1.00 0.00 H new ATOM 0 HG SER A 353 85.609 17.218 -5.419 1.00 0.00 H new ATOM 462 N SER A 354 85.322 14.810 -1.550 1.00 0.00 N ATOM 463 CA SER A 354 84.760 13.493 -1.272 1.00 0.00 C ATOM 464 C SER A 354 83.279 13.623 -0.931 1.00 0.00 C ATOM 465 O SER A 354 82.895 14.462 -0.116 1.00 0.00 O ATOM 466 CB SER A 354 85.502 12.843 -0.104 1.00 0.00 C ATOM 467 OG SER A 354 85.658 13.793 0.941 1.00 0.00 O ATOM 0 H SER A 354 84.836 15.581 -1.092 1.00 0.00 H new ATOM 0 HA SER A 354 84.871 12.867 -2.158 1.00 0.00 H new ATOM 0 HB2 SER A 354 84.948 11.976 0.257 1.00 0.00 H new ATOM 0 HB3 SER A 354 86.477 12.484 -0.433 1.00 0.00 H new ATOM 0 HG SER A 354 86.612 13.954 1.097 1.00 0.00 H new ATOM 473 N SER A 355 82.452 12.791 -1.554 1.00 0.00 N ATOM 474 CA SER A 355 81.017 12.825 -1.302 1.00 0.00 C ATOM 475 C SER A 355 80.348 11.594 -1.906 1.00 0.00 C ATOM 476 O SER A 355 81.000 10.576 -2.135 1.00 0.00 O ATOM 477 CB SER A 355 80.404 14.096 -1.900 1.00 0.00 C ATOM 478 OG SER A 355 81.291 15.187 -1.694 1.00 0.00 O ATOM 0 H SER A 355 82.748 12.089 -2.233 1.00 0.00 H new ATOM 0 HA SER A 355 80.853 12.826 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A 355 80.220 13.958 -2.965 1.00 0.00 H new ATOM 0 HB3 SER A 355 79.440 14.303 -1.434 1.00 0.00 H new ATOM 0 HG SER A 355 81.619 15.172 -0.771 1.00 0.00 H new ATOM 484 N SER A 356 79.042 11.686 -2.157 1.00 0.00 N ATOM 485 CA SER A 356 78.294 10.562 -2.730 1.00 0.00 C ATOM 486 C SER A 356 77.298 11.050 -3.779 1.00 0.00 C ATOM 487 O SER A 356 76.123 10.687 -3.747 1.00 0.00 O ATOM 488 CB SER A 356 77.543 9.824 -1.623 1.00 0.00 C ATOM 489 OG SER A 356 76.657 8.879 -2.206 1.00 0.00 O ATOM 0 H SER A 356 78.482 12.519 -1.975 1.00 0.00 H new ATOM 0 HA SER A 356 79.003 9.887 -3.209 1.00 0.00 H new ATOM 0 HB2 SER A 356 78.249 9.319 -0.963 1.00 0.00 H new ATOM 0 HB3 SER A 356 76.985 10.533 -1.011 1.00 0.00 H new ATOM 0 HG SER A 356 75.915 9.350 -2.639 1.00 0.00 H new ATOM 495 N ASN A 357 77.777 11.875 -4.708 1.00 0.00 N ATOM 496 CA ASN A 357 76.915 12.406 -5.763 1.00 0.00 C ATOM 497 C ASN A 357 77.735 12.788 -6.991 1.00 0.00 C ATOM 498 O ASN A 357 78.773 13.435 -6.877 1.00 0.00 O ATOM 499 CB ASN A 357 76.161 13.633 -5.249 1.00 0.00 C ATOM 500 CG ASN A 357 75.367 13.273 -3.998 1.00 0.00 C ATOM 501 OD1 ASN A 357 75.854 13.449 -2.882 1.00 0.00 O ATOM 502 ND2 ASN A 357 74.168 12.774 -4.119 1.00 0.00 N ATOM 0 H ASN A 357 78.747 12.188 -4.753 1.00 0.00 H new ATOM 0 HA ASN A 357 76.203 11.631 -6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 357 76.865 14.434 -5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.488 14.006 -6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 357 73.631 12.529 -3.287 1.00 0.00 H new ATOM 0 HD22 ASN A 357 73.767 12.629 -5.046 1.00 0.00 H new ATOM 509 N TYR A 358 77.256 12.379 -8.165 1.00 0.00 N ATOM 510 CA TYR A 358 77.942 12.680 -9.422 1.00 0.00 C ATOM 511 C TYR A 358 77.483 14.026 -9.974 1.00 0.00 C ATOM 512 O TYR A 358 78.264 14.974 -10.049 1.00 0.00 O ATOM 513 CB TYR A 358 77.661 11.579 -10.448 1.00 0.00 C ATOM 514 CG TYR A 358 78.291 11.945 -11.773 1.00 0.00 C ATOM 515 CD1 TYR A 358 79.610 11.563 -12.053 1.00 0.00 C ATOM 516 CD2 TYR A 358 77.556 12.670 -12.721 1.00 0.00 C ATOM 517 CE1 TYR A 358 80.192 11.904 -13.279 1.00 0.00 C ATOM 518 CE2 TYR A 358 78.140 13.010 -13.947 1.00 0.00 C ATOM 519 CZ TYR A 358 79.457 12.628 -14.226 1.00 0.00 C ATOM 520 OH TYR A 358 80.032 12.965 -15.435 1.00 0.00 O ATOM 0 H TYR A 358 76.397 11.839 -8.273 1.00 0.00 H new ATOM 0 HA TYR A 358 79.013 12.728 -9.228 1.00 0.00 H new ATOM 0 HB2 TYR A 358 78.061 10.628 -10.095 1.00 0.00 H new ATOM 0 HB3 TYR A 358 76.586 11.447 -10.569 1.00 0.00 H new ATOM 0 HD1 TYR A 358 80.177 11.005 -11.322 1.00 0.00 H new ATOM 0 HD2 TYR A 358 76.540 12.966 -12.506 1.00 0.00 H new ATOM 0 HE1 TYR A 358 81.208 11.609 -13.495 1.00 0.00 H new ATOM 0 HE2 TYR A 358 77.574 13.568 -14.678 1.00 0.00 H new ATOM 0 HH TYR A 358 79.386 13.465 -15.976 1.00 0.00 H new ATOM 530 N ASP A 359 76.214 14.105 -10.360 1.00 0.00 N ATOM 531 CA ASP A 359 75.669 15.345 -10.901 1.00 0.00 C ATOM 532 C ASP A 359 76.085 16.531 -10.036 1.00 0.00 C ATOM 533 O ASP A 359 76.814 17.415 -10.484 1.00 0.00 O ATOM 534 CB ASP A 359 74.144 15.264 -10.962 1.00 0.00 C ATOM 535 CG ASP A 359 73.589 16.449 -11.745 1.00 0.00 C ATOM 536 OD1 ASP A 359 73.643 16.406 -12.964 1.00 0.00 O ATOM 537 OD2 ASP A 359 73.119 17.382 -11.116 1.00 0.00 O ATOM 0 H ASP A 359 75.549 13.333 -10.309 1.00 0.00 H new ATOM 0 HA ASP A 359 76.063 15.486 -11.907 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.840 14.330 -11.435 1.00 0.00 H new ATOM 0 HB3 ASP A 359 73.731 15.259 -9.953 1.00 0.00 H new ATOM 542 N ASN A 360 75.614 16.539 -8.794 1.00 0.00 N ATOM 543 CA ASN A 360 75.937 17.618 -7.869 1.00 0.00 C ATOM 544 C ASN A 360 77.422 17.967 -7.935 1.00 0.00 C ATOM 545 O ASN A 360 77.811 19.108 -7.689 1.00 0.00 O ATOM 546 CB ASN A 360 75.572 17.207 -6.441 1.00 0.00 C ATOM 547 CG ASN A 360 75.891 18.342 -5.474 1.00 0.00 C ATOM 548 OD1 ASN A 360 77.055 18.582 -5.159 1.00 0.00 O ATOM 549 ND2 ASN A 360 74.917 19.059 -4.981 1.00 0.00 N ATOM 0 H ASN A 360 75.010 15.814 -8.406 1.00 0.00 H new ATOM 0 HA ASN A 360 75.360 18.497 -8.157 1.00 0.00 H new ATOM 0 HB2 ASN A 360 74.512 16.958 -6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 360 76.126 16.311 -6.159 1.00 0.00 H new ATOM 0 HD21 ASN A 360 75.121 19.820 -4.333 1.00 0.00 H new ATOM 0 HD22 ASN A 360 73.952 18.858 -5.244 1.00 0.00 H new ATOM 556 N LEU A 361 78.249 16.978 -8.268 1.00 0.00 N ATOM 557 CA LEU A 361 79.689 17.203 -8.357 1.00 0.00 C ATOM 558 C LEU A 361 80.007 18.169 -9.493 1.00 0.00 C ATOM 559 O LEU A 361 80.667 19.187 -9.288 1.00 0.00 O ATOM 560 CB LEU A 361 80.419 15.865 -8.586 1.00 0.00 C ATOM 561 CG LEU A 361 81.839 15.921 -8.005 1.00 0.00 C ATOM 562 CD1 LEU A 361 82.490 14.539 -8.121 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.679 16.948 -8.774 1.00 0.00 C ATOM 0 H LEU A 361 77.951 16.025 -8.478 1.00 0.00 H new ATOM 0 HA LEU A 361 80.031 17.641 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 361 79.860 15.054 -8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 361 80.465 15.647 -9.653 1.00 0.00 H new ATOM 0 HG LEU A 361 81.787 16.216 -6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 361 83.498 14.576 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 361 81.898 13.810 -7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 361 82.537 14.246 -9.170 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.685 16.982 -8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.732 16.661 -9.824 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.218 17.932 -8.689 1.00 0.00 H new ATOM 575 N ASN A 362 79.524 17.852 -10.691 1.00 0.00 N ATOM 576 CA ASN A 362 79.760 18.703 -11.852 1.00 0.00 C ATOM 577 C ASN A 362 79.616 20.174 -11.473 1.00 0.00 C ATOM 578 O ASN A 362 80.426 21.010 -11.868 1.00 0.00 O ATOM 579 CB ASN A 362 78.762 18.352 -12.956 1.00 0.00 C ATOM 580 CG ASN A 362 79.223 18.940 -14.286 1.00 0.00 C ATOM 581 OD1 ASN A 362 79.417 18.206 -15.256 1.00 0.00 O ATOM 582 ND2 ASN A 362 79.411 20.227 -14.390 1.00 0.00 N ATOM 0 H ASN A 362 78.970 17.017 -10.882 1.00 0.00 H new ATOM 0 HA ASN A 362 80.775 18.534 -12.212 1.00 0.00 H new ATOM 0 HB2 ASN A 362 78.668 17.269 -13.041 1.00 0.00 H new ATOM 0 HB3 ASN A 362 77.775 18.738 -12.701 1.00 0.00 H new ATOM 0 HD21 ASN A 362 79.719 20.627 -15.276 1.00 0.00 H new ATOM 0 HD22 ASN A 362 79.250 20.833 -13.585 1.00 0.00 H new ATOM 589 N GLY A 363 78.587 20.477 -10.693 1.00 0.00 N ATOM 590 CA GLY A 363 78.358 21.846 -10.258 1.00 0.00 C ATOM 591 C GLY A 363 79.592 22.397 -9.552 1.00 0.00 C ATOM 592 O GLY A 363 80.023 23.517 -9.821 1.00 0.00 O ATOM 0 H GLY A 363 77.904 19.800 -10.352 1.00 0.00 H new ATOM 0 HA2 GLY A 363 78.115 22.471 -11.117 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.501 21.881 -9.585 1.00 0.00 H new ATOM 596 N TRP A 364 80.153 21.604 -8.641 1.00 0.00 N ATOM 597 CA TRP A 364 81.333 22.024 -7.893 1.00 0.00 C ATOM 598 C TRP A 364 82.590 21.975 -8.760 1.00 0.00 C ATOM 599 O TRP A 364 83.285 22.978 -8.916 1.00 0.00 O ATOM 600 CB TRP A 364 81.527 21.118 -6.674 1.00 0.00 C ATOM 601 CG TRP A 364 82.700 21.602 -5.885 1.00 0.00 C ATOM 602 CD1 TRP A 364 82.743 22.768 -5.201 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.998 20.964 -5.690 1.00 0.00 C ATOM 604 NE1 TRP A 364 83.985 22.891 -4.602 1.00 0.00 N ATOM 605 CE2 TRP A 364 84.792 21.804 -4.874 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.559 19.751 -6.138 1.00 0.00 C ATOM 607 CZ2 TRP A 364 86.094 21.458 -4.516 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.871 19.402 -5.778 1.00 0.00 C ATOM 609 CH2 TRP A 364 86.636 20.254 -4.971 1.00 0.00 C ATOM 0 H TRP A 364 79.811 20.673 -8.405 1.00 0.00 H new ATOM 0 HA TRP A 364 81.174 23.054 -7.572 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.630 21.124 -6.055 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.688 20.088 -6.993 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.939 23.486 -5.133 1.00 0.00 H new ATOM 0 HE1 TRP A 364 84.269 23.686 -4.030 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.978 19.087 -6.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 86.679 22.116 -3.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 86.293 18.471 -6.126 1.00 0.00 H new ATOM 0 HH2 TRP A 364 87.645 19.980 -4.701 1.00 0.00 H new ATOM 620 N ALA A 365 82.883 20.800 -9.314 1.00 0.00 N ATOM 621 CA ALA A 365 84.067 20.631 -10.155 1.00 0.00 C ATOM 622 C ALA A 365 84.252 21.827 -11.084 1.00 0.00 C ATOM 623 O ALA A 365 85.365 22.318 -11.268 1.00 0.00 O ATOM 624 CB ALA A 365 83.939 19.351 -10.984 1.00 0.00 C ATOM 0 H ALA A 365 82.322 19.956 -9.197 1.00 0.00 H new ATOM 0 HA ALA A 365 84.939 20.560 -9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 365 84.825 19.232 -11.608 1.00 0.00 H new ATOM 0 HB2 ALA A 365 83.847 18.494 -10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.054 19.415 -11.618 1.00 0.00 H new ATOM 630 N LYS A 366 83.151 22.289 -11.664 1.00 0.00 N ATOM 631 CA LYS A 366 83.197 23.432 -12.572 1.00 0.00 C ATOM 632 C LYS A 366 83.283 24.738 -11.778 1.00 0.00 C ATOM 633 O LYS A 366 83.878 25.713 -12.238 1.00 0.00 O ATOM 634 CB LYS A 366 81.944 23.432 -13.471 1.00 0.00 C ATOM 635 CG LYS A 366 82.197 22.602 -14.739 1.00 0.00 C ATOM 636 CD LYS A 366 82.531 21.156 -14.361 1.00 0.00 C ATOM 637 CE LYS A 366 82.744 20.335 -15.635 1.00 0.00 C ATOM 638 NZ LYS A 366 83.837 20.946 -16.443 1.00 0.00 N ATOM 0 H LYS A 366 82.221 21.894 -11.524 1.00 0.00 H new ATOM 0 HA LYS A 366 84.084 23.353 -13.200 1.00 0.00 H new ATOM 0 HB2 LYS A 366 81.095 23.022 -12.923 1.00 0.00 H new ATOM 0 HB3 LYS A 366 81.684 24.455 -13.744 1.00 0.00 H new ATOM 0 HG2 LYS A 366 81.316 22.625 -15.380 1.00 0.00 H new ATOM 0 HG3 LYS A 366 83.018 23.036 -15.310 1.00 0.00 H new ATOM 0 HD2 LYS A 366 83.428 21.128 -13.743 1.00 0.00 H new ATOM 0 HD3 LYS A 366 81.722 20.727 -13.769 1.00 0.00 H new ATOM 0 HE2 LYS A 366 82.998 19.306 -15.379 1.00 0.00 H new ATOM 0 HE3 LYS A 366 81.823 20.301 -16.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 84.410 20.194 -16.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 83.425 21.542 -17.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 84.440 21.529 -15.827 1.00 0.00 H new ATOM 652 N LYS A 367 82.686 24.752 -10.590 1.00 0.00 N ATOM 653 CA LYS A 367 82.707 25.948 -9.752 1.00 0.00 C ATOM 654 C LYS A 367 84.143 26.399 -9.495 1.00 0.00 C ATOM 655 O LYS A 367 84.558 27.463 -9.954 1.00 0.00 O ATOM 656 CB LYS A 367 82.010 25.668 -8.418 1.00 0.00 C ATOM 657 CG LYS A 367 81.867 26.971 -7.629 1.00 0.00 C ATOM 658 CD LYS A 367 81.221 26.677 -6.274 1.00 0.00 C ATOM 659 CE LYS A 367 81.039 27.985 -5.500 1.00 0.00 C ATOM 660 NZ LYS A 367 80.070 28.859 -6.222 1.00 0.00 N ATOM 0 H LYS A 367 82.187 23.958 -10.188 1.00 0.00 H new ATOM 0 HA LYS A 367 82.177 26.743 -10.276 1.00 0.00 H new ATOM 0 HB2 LYS A 367 81.028 25.229 -8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 367 82.585 24.943 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 367 82.845 27.431 -7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 367 81.259 27.682 -8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 367 80.257 26.190 -6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 367 81.845 25.988 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 367 80.677 27.777 -4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 367 81.997 28.495 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 79.662 29.548 -5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 80.561 29.365 -6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 79.310 28.275 -6.626 1.00 0.00 H new ATOM 674 N GLU A 368 84.897 25.583 -8.764 1.00 0.00 N ATOM 675 CA GLU A 368 86.286 25.913 -8.461 1.00 0.00 C ATOM 676 C GLU A 368 87.147 25.752 -9.711 1.00 0.00 C ATOM 677 O GLU A 368 88.373 25.852 -9.650 1.00 0.00 O ATOM 678 CB GLU A 368 86.813 24.999 -7.341 1.00 0.00 C ATOM 679 CG GLU A 368 86.371 25.534 -5.974 1.00 0.00 C ATOM 680 CD GLU A 368 84.866 25.775 -5.964 1.00 0.00 C ATOM 681 OE1 GLU A 368 84.132 24.809 -6.075 1.00 0.00 O ATOM 682 OE2 GLU A 368 84.471 26.923 -5.843 1.00 0.00 O ATOM 0 H GLU A 368 84.574 24.698 -8.374 1.00 0.00 H new ATOM 0 HA GLU A 368 86.337 26.949 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 368 86.439 23.985 -7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 368 87.901 24.946 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 368 86.638 24.822 -5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 368 86.897 26.463 -5.752 1.00 0.00 H new ATOM 689 N ASN A 369 86.494 25.504 -10.841 1.00 0.00 N ATOM 690 CA ASN A 369 87.201 25.331 -12.107 1.00 0.00 C ATOM 691 C ASN A 369 88.462 24.491 -11.918 1.00 0.00 C ATOM 692 O ASN A 369 89.567 24.938 -12.225 1.00 0.00 O ATOM 693 CB ASN A 369 87.578 26.697 -12.685 1.00 0.00 C ATOM 694 CG ASN A 369 88.542 27.415 -11.746 1.00 0.00 C ATOM 695 OD1 ASN A 369 89.758 27.304 -11.901 1.00 0.00 O ATOM 696 ND2 ASN A 369 88.069 28.149 -10.777 1.00 0.00 N ATOM 0 H ASN A 369 85.480 25.418 -10.908 1.00 0.00 H new ATOM 0 HA ASN A 369 86.538 24.811 -12.798 1.00 0.00 H new ATOM 0 HB2 ASN A 369 88.038 26.571 -13.665 1.00 0.00 H new ATOM 0 HB3 ASN A 369 86.681 27.300 -12.829 1.00 0.00 H new ATOM 0 HD21 ASN A 369 88.707 28.633 -10.145 1.00 0.00 H new ATOM 0 HD22 ASN A 369 87.061 28.239 -10.651 1.00 0.00 H new ATOM 703 N LEU A 370 88.289 23.270 -11.422 1.00 0.00 N ATOM 704 CA LEU A 370 89.424 22.379 -11.213 1.00 0.00 C ATOM 705 C LEU A 370 90.136 22.129 -12.539 1.00 0.00 C ATOM 706 O LEU A 370 89.599 21.463 -13.422 1.00 0.00 O ATOM 707 CB LEU A 370 88.954 21.044 -10.622 1.00 0.00 C ATOM 708 CG LEU A 370 87.994 21.292 -9.453 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.476 19.950 -8.924 1.00 0.00 C ATOM 710 CD2 LEU A 370 88.729 22.033 -8.329 1.00 0.00 C ATOM 0 H LEU A 370 87.384 22.878 -11.160 1.00 0.00 H new ATOM 0 HA LEU A 370 90.114 22.851 -10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.457 20.452 -11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 370 89.813 20.466 -10.281 1.00 0.00 H new ATOM 0 HG LEU A 370 87.156 21.897 -9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 370 86.793 20.126 -8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 370 86.950 19.424 -9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.316 19.345 -8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 370 88.044 22.208 -7.500 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.569 21.430 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 370 89.097 22.988 -8.703 1.00 0.00 H new ATOM 722 N LYS A 371 91.343 22.673 -12.677 1.00 0.00 N ATOM 723 CA LYS A 371 92.113 22.506 -13.908 1.00 0.00 C ATOM 724 C LYS A 371 92.917 21.210 -13.871 1.00 0.00 C ATOM 725 O LYS A 371 93.332 20.755 -12.806 1.00 0.00 O ATOM 726 CB LYS A 371 93.063 23.693 -14.089 1.00 0.00 C ATOM 727 CG LYS A 371 93.759 24.000 -12.759 1.00 0.00 C ATOM 728 CD LYS A 371 94.982 24.889 -13.007 1.00 0.00 C ATOM 729 CE LYS A 371 94.568 26.122 -13.813 1.00 0.00 C ATOM 730 NZ LYS A 371 95.645 27.150 -13.734 1.00 0.00 N ATOM 0 H LYS A 371 91.806 23.229 -11.958 1.00 0.00 H new ATOM 0 HA LYS A 371 91.418 22.461 -14.746 1.00 0.00 H new ATOM 0 HB2 LYS A 371 93.804 23.465 -14.855 1.00 0.00 H new ATOM 0 HB3 LYS A 371 92.509 24.567 -14.431 1.00 0.00 H new ATOM 0 HG2 LYS A 371 93.066 24.500 -12.082 1.00 0.00 H new ATOM 0 HG3 LYS A 371 94.064 23.072 -12.275 1.00 0.00 H new ATOM 0 HD2 LYS A 371 95.421 25.194 -12.057 1.00 0.00 H new ATOM 0 HD3 LYS A 371 95.747 24.330 -13.546 1.00 0.00 H new ATOM 0 HE2 LYS A 371 94.388 25.847 -14.852 1.00 0.00 H new ATOM 0 HE3 LYS A 371 93.634 26.527 -13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 95.365 27.989 -14.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 95.796 27.419 -12.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 96.526 26.760 -14.125 1.00 0.00 H new ATOM 744 N ASN A 372 93.133 20.623 -15.044 1.00 0.00 N ATOM 745 CA ASN A 372 93.891 19.380 -15.137 1.00 0.00 C ATOM 746 C ASN A 372 93.347 18.349 -14.154 1.00 0.00 C ATOM 747 O ASN A 372 93.816 18.251 -13.020 1.00 0.00 O ATOM 748 CB ASN A 372 95.367 19.646 -14.836 1.00 0.00 C ATOM 749 CG ASN A 372 96.183 18.377 -15.061 1.00 0.00 C ATOM 750 OD1 ASN A 372 96.119 17.779 -16.134 1.00 0.00 O ATOM 751 ND2 ASN A 372 96.950 17.930 -14.105 1.00 0.00 N ATOM 0 H ASN A 372 92.797 20.984 -15.937 1.00 0.00 H new ATOM 0 HA ASN A 372 93.792 18.989 -16.150 1.00 0.00 H new ATOM 0 HB2 ASN A 372 95.739 20.446 -15.477 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.481 19.984 -13.806 1.00 0.00 H new ATOM 0 HD21 ASN A 372 97.499 17.082 -14.246 1.00 0.00 H new ATOM 0 HD22 ASN A 372 97.001 18.428 -13.217 1.00 0.00 H new ATOM 758 N TYR A 373 92.352 17.586 -14.595 1.00 0.00 N ATOM 759 CA TYR A 373 91.752 16.568 -13.740 1.00 0.00 C ATOM 760 C TYR A 373 90.883 15.619 -14.560 1.00 0.00 C ATOM 761 O TYR A 373 90.555 15.897 -15.713 1.00 0.00 O ATOM 762 CB TYR A 373 90.907 17.236 -12.649 1.00 0.00 C ATOM 763 CG TYR A 373 89.648 17.816 -13.260 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.735 18.901 -14.140 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.398 17.265 -12.952 1.00 0.00 C ATOM 766 CE1 TYR A 373 88.573 19.435 -14.711 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.236 17.799 -13.522 1.00 0.00 C ATOM 768 CZ TYR A 373 87.324 18.884 -14.402 1.00 0.00 C ATOM 769 OH TYR A 373 86.180 19.410 -14.966 1.00 0.00 O ATOM 0 H TYR A 373 91.948 17.652 -15.529 1.00 0.00 H new ATOM 0 HA TYR A 373 92.552 15.991 -13.275 1.00 0.00 H new ATOM 0 HB2 TYR A 373 90.647 16.508 -11.880 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.482 18.023 -12.161 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.699 19.327 -14.379 1.00 0.00 H new ATOM 0 HD2 TYR A 373 88.330 16.427 -12.274 1.00 0.00 H new ATOM 0 HE1 TYR A 373 88.641 20.272 -15.390 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.272 17.374 -13.283 1.00 0.00 H new ATOM 0 HH TYR A 373 85.399 18.911 -14.647 1.00 0.00 H new ATOM 779 N VAL A 374 90.515 14.495 -13.950 1.00 0.00 N ATOM 780 CA VAL A 374 89.682 13.496 -14.617 1.00 0.00 C ATOM 781 C VAL A 374 88.659 12.921 -13.641 1.00 0.00 C ATOM 782 O VAL A 374 89.001 12.537 -12.524 1.00 0.00 O ATOM 783 CB VAL A 374 90.564 12.368 -15.162 1.00 0.00 C ATOM 784 CG1 VAL A 374 91.312 12.858 -16.404 1.00 0.00 C ATOM 785 CG2 VAL A 374 91.577 11.948 -14.094 1.00 0.00 C ATOM 0 H VAL A 374 90.780 14.253 -12.995 1.00 0.00 H new ATOM 0 HA VAL A 374 89.153 13.974 -15.441 1.00 0.00 H new ATOM 0 HB VAL A 374 89.938 11.516 -15.426 1.00 0.00 H new ATOM 0 HG11 VAL A 374 91.939 12.055 -16.791 1.00 0.00 H new ATOM 0 HG12 VAL A 374 90.593 13.157 -17.167 1.00 0.00 H new ATOM 0 HG13 VAL A 374 91.937 13.711 -16.139 1.00 0.00 H new ATOM 0 HG21 VAL A 374 92.204 11.146 -14.483 1.00 0.00 H new ATOM 0 HG22 VAL A 374 92.202 12.801 -13.830 1.00 0.00 H new ATOM 0 HG23 VAL A 374 91.047 11.598 -13.208 1.00 0.00 H new ATOM 795 N VAL A 375 87.399 12.866 -14.073 1.00 0.00 N ATOM 796 CA VAL A 375 86.326 12.334 -13.233 1.00 0.00 C ATOM 797 C VAL A 375 86.139 10.843 -13.500 1.00 0.00 C ATOM 798 O VAL A 375 86.045 10.418 -14.652 1.00 0.00 O ATOM 799 CB VAL A 375 85.020 13.078 -13.530 1.00 0.00 C ATOM 800 CG1 VAL A 375 83.950 12.668 -12.515 1.00 0.00 C ATOM 801 CG2 VAL A 375 85.259 14.590 -13.437 1.00 0.00 C ATOM 0 H VAL A 375 87.097 13.182 -14.995 1.00 0.00 H new ATOM 0 HA VAL A 375 86.594 12.476 -12.186 1.00 0.00 H new ATOM 0 HB VAL A 375 84.681 12.824 -14.534 1.00 0.00 H new ATOM 0 HG11 VAL A 375 83.023 13.199 -12.729 1.00 0.00 H new ATOM 0 HG12 VAL A 375 83.777 11.594 -12.583 1.00 0.00 H new ATOM 0 HG13 VAL A 375 84.287 12.919 -11.509 1.00 0.00 H new ATOM 0 HG21 VAL A 375 84.330 15.119 -13.648 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.601 14.843 -12.433 1.00 0.00 H new ATOM 0 HG23 VAL A 375 86.017 14.884 -14.163 1.00 0.00 H new ATOM 811 N TYR A 376 86.092 10.051 -12.431 1.00 0.00 N ATOM 812 CA TYR A 376 85.923 8.604 -12.566 1.00 0.00 C ATOM 813 C TYR A 376 85.248 8.022 -11.328 1.00 0.00 C ATOM 814 O TYR A 376 84.788 8.761 -10.460 1.00 0.00 O ATOM 815 CB TYR A 376 87.287 7.937 -12.774 1.00 0.00 C ATOM 816 CG TYR A 376 88.178 8.216 -11.582 1.00 0.00 C ATOM 817 CD1 TYR A 376 88.683 9.505 -11.370 1.00 0.00 C ATOM 818 CD2 TYR A 376 88.501 7.185 -10.690 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.507 9.762 -10.268 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.327 7.443 -9.589 1.00 0.00 C ATOM 821 CZ TYR A 376 89.829 8.732 -9.378 1.00 0.00 C ATOM 822 OH TYR A 376 90.642 8.986 -8.293 1.00 0.00 O ATOM 0 H TYR A 376 86.168 10.382 -11.469 1.00 0.00 H new ATOM 0 HA TYR A 376 85.289 8.410 -13.431 1.00 0.00 H new ATOM 0 HB2 TYR A 376 87.161 6.862 -12.903 1.00 0.00 H new ATOM 0 HB3 TYR A 376 87.752 8.315 -13.684 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.437 10.301 -12.057 1.00 0.00 H new ATOM 0 HD2 TYR A 376 88.113 6.190 -10.852 1.00 0.00 H new ATOM 0 HE1 TYR A 376 89.895 10.757 -10.105 1.00 0.00 H new ATOM 0 HE2 TYR A 376 89.577 6.647 -8.903 1.00 0.00 H new ATOM 0 HH TYR A 376 90.765 8.162 -7.776 1.00 0.00 H new ATOM 832 N GLU A 377 85.180 6.691 -11.259 1.00 0.00 N ATOM 833 CA GLU A 377 84.545 6.009 -10.124 1.00 0.00 C ATOM 834 C GLU A 377 85.580 5.280 -9.270 1.00 0.00 C ATOM 835 O GLU A 377 86.582 4.779 -9.779 1.00 0.00 O ATOM 836 CB GLU A 377 83.517 5.000 -10.642 1.00 0.00 C ATOM 837 CG GLU A 377 84.185 4.059 -11.646 1.00 0.00 C ATOM 838 CD GLU A 377 83.200 2.982 -12.087 1.00 0.00 C ATOM 839 OE1 GLU A 377 82.751 2.233 -11.234 1.00 0.00 O ATOM 840 OE2 GLU A 377 82.908 2.921 -13.270 1.00 0.00 O ATOM 0 H GLU A 377 85.554 6.064 -11.971 1.00 0.00 H new ATOM 0 HA GLU A 377 84.054 6.761 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 377 83.103 4.428 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 377 82.686 5.523 -11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 377 84.531 4.624 -12.512 1.00 0.00 H new ATOM 0 HG3 GLU A 377 85.064 3.597 -11.195 1.00 0.00 H new ATOM 847 N THR A 378 85.318 5.218 -7.966 1.00 0.00 N ATOM 848 CA THR A 378 86.218 4.543 -7.033 1.00 0.00 C ATOM 849 C THR A 378 85.430 4.016 -5.837 1.00 0.00 C ATOM 850 O THR A 378 84.201 3.958 -5.873 1.00 0.00 O ATOM 851 CB THR A 378 87.318 5.507 -6.561 1.00 0.00 C ATOM 852 OG1 THR A 378 88.374 4.760 -5.973 1.00 0.00 O ATOM 853 CG2 THR A 378 86.756 6.492 -5.531 1.00 0.00 C ATOM 0 H THR A 378 84.490 5.627 -7.532 1.00 0.00 H new ATOM 0 HA THR A 378 86.688 3.703 -7.544 1.00 0.00 H new ATOM 0 HB THR A 378 87.691 6.068 -7.418 1.00 0.00 H new ATOM 0 HG1 THR A 378 89.079 5.371 -5.672 1.00 0.00 H new ATOM 0 HG21 THR A 378 87.546 7.169 -5.206 1.00 0.00 H new ATOM 0 HG22 THR A 378 85.948 7.068 -5.982 1.00 0.00 H new ATOM 0 HG23 THR A 378 86.373 5.941 -4.672 1.00 0.00 H new ATOM 861 N THR A 379 86.141 3.637 -4.775 1.00 0.00 N ATOM 862 CA THR A 379 85.497 3.120 -3.564 1.00 0.00 C ATOM 863 C THR A 379 85.724 4.065 -2.391 1.00 0.00 C ATOM 864 O THR A 379 86.746 4.746 -2.317 1.00 0.00 O ATOM 865 CB THR A 379 86.068 1.747 -3.214 1.00 0.00 C ATOM 866 OG1 THR A 379 87.344 1.907 -2.611 1.00 0.00 O ATOM 867 CG2 THR A 379 86.204 0.908 -4.485 1.00 0.00 C ATOM 0 H THR A 379 87.159 3.677 -4.727 1.00 0.00 H new ATOM 0 HA THR A 379 84.427 3.037 -3.756 1.00 0.00 H new ATOM 0 HB THR A 379 85.397 1.241 -2.519 1.00 0.00 H new ATOM 0 HG1 THR A 379 87.711 1.027 -2.384 1.00 0.00 H new ATOM 0 HG21 THR A 379 86.612 -0.071 -4.233 1.00 0.00 H new ATOM 0 HG22 THR A 379 85.224 0.785 -4.947 1.00 0.00 H new ATOM 0 HG23 THR A 379 86.873 1.411 -5.183 1.00 0.00 H new ATOM 875 N ARG A 380 84.764 4.096 -1.475 1.00 0.00 N ATOM 876 CA ARG A 380 84.866 4.954 -0.304 1.00 0.00 C ATOM 877 C ARG A 380 83.878 4.504 0.768 1.00 0.00 C ATOM 878 O ARG A 380 82.720 4.923 0.772 1.00 0.00 O ATOM 879 CB ARG A 380 84.579 6.407 -0.694 1.00 0.00 C ATOM 880 CG ARG A 380 85.099 7.340 0.401 1.00 0.00 C ATOM 881 CD ARG A 380 84.785 8.791 0.032 1.00 0.00 C ATOM 882 NE ARG A 380 85.332 9.696 1.037 1.00 0.00 N ATOM 883 CZ ARG A 380 84.783 9.797 2.243 1.00 0.00 C ATOM 884 NH1 ARG A 380 83.733 9.082 2.544 1.00 0.00 N ATOM 885 NH2 ARG A 380 85.292 10.612 3.125 1.00 0.00 N ATOM 0 H ARG A 380 83.910 3.539 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 380 85.878 4.882 0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 380 85.058 6.641 -1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 380 83.508 6.553 -0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 380 84.637 7.089 1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 380 86.174 7.210 0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 380 85.206 9.025 -0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 380 83.706 8.929 -0.044 1.00 0.00 H new ATOM 0 HE ARG A 380 86.150 10.261 0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 380 83.334 8.446 1.854 1.00 0.00 H new ATOM 0 HH12 ARG A 380 83.312 9.159 3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 380 86.111 11.172 2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 380 84.871 10.690 4.051 1.00 0.00 H new ATOM 899 N ASN A 381 84.338 3.645 1.672 1.00 0.00 N ATOM 900 CA ASN A 381 83.480 3.140 2.738 1.00 0.00 C ATOM 901 C ASN A 381 82.236 2.484 2.149 1.00 0.00 C ATOM 902 O ASN A 381 81.134 3.021 2.250 1.00 0.00 O ATOM 903 CB ASN A 381 83.069 4.284 3.667 1.00 0.00 C ATOM 904 CG ASN A 381 84.309 4.975 4.225 1.00 0.00 C ATOM 905 OD1 ASN A 381 84.200 5.850 5.084 1.00 0.00 O ATOM 906 ND2 ASN A 381 85.489 4.632 3.785 1.00 0.00 N ATOM 0 H ASN A 381 85.293 3.286 1.688 1.00 0.00 H new ATOM 0 HA ASN A 381 84.036 2.397 3.309 1.00 0.00 H new ATOM 0 HB2 ASN A 381 82.456 5.003 3.123 1.00 0.00 H new ATOM 0 HB3 ASN A 381 82.459 3.899 4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 381 86.323 5.089 4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 381 85.577 3.907 3.073 1.00 0.00 H new ATOM 913 N GLY A 382 82.428 1.315 1.538 1.00 0.00 N ATOM 914 CA GLY A 382 81.323 0.572 0.929 1.00 0.00 C ATOM 915 C GLY A 382 80.296 1.514 0.304 1.00 0.00 C ATOM 916 O GLY A 382 79.089 1.298 0.415 1.00 0.00 O ATOM 0 H GLY A 382 83.338 0.862 1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 382 81.713 -0.102 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 382 80.839 -0.047 1.684 1.00 0.00 H new ATOM 920 N GLN A 383 80.788 2.568 -0.344 1.00 0.00 N ATOM 921 CA GLN A 383 79.913 3.553 -0.978 1.00 0.00 C ATOM 922 C GLN A 383 80.627 4.209 -2.165 1.00 0.00 C ATOM 923 O GLN A 383 81.334 5.201 -1.986 1.00 0.00 O ATOM 924 CB GLN A 383 79.535 4.630 0.048 1.00 0.00 C ATOM 925 CG GLN A 383 78.322 5.428 -0.446 1.00 0.00 C ATOM 926 CD GLN A 383 78.707 6.277 -1.653 1.00 0.00 C ATOM 927 OE1 GLN A 383 79.716 6.981 -1.622 1.00 0.00 O ATOM 928 NE2 GLN A 383 77.959 6.252 -2.722 1.00 0.00 N ATOM 0 H GLN A 383 81.784 2.762 -0.444 1.00 0.00 H new ATOM 0 HA GLN A 383 79.014 3.052 -1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 383 79.308 4.165 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 383 80.379 5.300 0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 383 77.514 4.747 -0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 383 77.948 6.068 0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 383 77.123 5.668 -2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 383 78.210 6.816 -3.534 1.00 0.00 H new ATOM 937 N PRO A 384 80.471 3.689 -3.363 1.00 0.00 N ATOM 938 CA PRO A 384 81.137 4.265 -4.568 1.00 0.00 C ATOM 939 C PRO A 384 81.053 5.790 -4.600 1.00 0.00 C ATOM 940 O PRO A 384 80.088 6.381 -4.114 1.00 0.00 O ATOM 941 CB PRO A 384 80.371 3.629 -5.731 1.00 0.00 C ATOM 942 CG PRO A 384 79.935 2.300 -5.206 1.00 0.00 C ATOM 943 CD PRO A 384 79.653 2.509 -3.713 1.00 0.00 C ATOM 0 HA PRO A 384 82.206 4.055 -4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 384 79.517 4.239 -6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 384 81.004 3.520 -6.612 1.00 0.00 H new ATOM 0 HG2 PRO A 384 79.044 1.948 -5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 384 80.710 1.548 -5.356 1.00 0.00 H new ATOM 0 HD2 PRO A 384 78.594 2.687 -3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 384 79.938 1.636 -3.126 1.00 0.00 H new ATOM 951 N TRP A 385 82.076 6.418 -5.169 1.00 0.00 N ATOM 952 CA TRP A 385 82.123 7.872 -5.258 1.00 0.00 C ATOM 953 C TRP A 385 83.085 8.290 -6.373 1.00 0.00 C ATOM 954 O TRP A 385 83.807 7.460 -6.923 1.00 0.00 O ATOM 955 CB TRP A 385 82.562 8.445 -3.888 1.00 0.00 C ATOM 956 CG TRP A 385 83.357 9.713 -4.041 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.695 9.808 -3.865 1.00 0.00 C ATOM 958 CD2 TRP A 385 82.895 11.051 -4.393 1.00 0.00 C ATOM 959 NE1 TRP A 385 85.084 11.117 -4.084 1.00 0.00 N ATOM 960 CE2 TRP A 385 84.012 11.922 -4.412 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.631 11.591 -4.694 1.00 0.00 C ATOM 962 CZ2 TRP A 385 83.878 13.279 -4.717 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.495 12.954 -5.002 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.618 13.796 -5.012 1.00 0.00 C ATOM 0 H TRP A 385 82.883 5.943 -5.575 1.00 0.00 H new ATOM 0 HA TRP A 385 81.138 8.269 -5.502 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.681 8.640 -3.277 1.00 0.00 H new ATOM 0 HB3 TRP A 385 83.160 7.703 -3.358 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.352 8.994 -3.597 1.00 0.00 H new ATOM 0 HE1 TRP A 385 86.046 11.447 -4.012 1.00 0.00 H new ATOM 0 HE3 TRP A 385 80.760 10.953 -4.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.745 13.923 -4.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.520 13.357 -5.233 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.506 14.844 -5.248 1.00 0.00 H new ATOM 975 N TYR A 386 83.084 9.582 -6.701 1.00 0.00 N ATOM 976 CA TYR A 386 83.959 10.112 -7.749 1.00 0.00 C ATOM 977 C TYR A 386 84.953 11.106 -7.153 1.00 0.00 C ATOM 978 O TYR A 386 84.656 12.294 -7.023 1.00 0.00 O ATOM 979 CB TYR A 386 83.114 10.800 -8.825 1.00 0.00 C ATOM 980 CG TYR A 386 81.864 9.987 -9.073 1.00 0.00 C ATOM 981 CD1 TYR A 386 80.828 9.997 -8.132 1.00 0.00 C ATOM 982 CD2 TYR A 386 81.741 9.222 -10.241 1.00 0.00 C ATOM 983 CE1 TYR A 386 79.669 9.244 -8.356 1.00 0.00 C ATOM 984 CE2 TYR A 386 80.582 8.469 -10.464 1.00 0.00 C ATOM 985 CZ TYR A 386 79.546 8.480 -9.522 1.00 0.00 C ATOM 986 OH TYR A 386 78.404 7.737 -9.743 1.00 0.00 O ATOM 0 H TYR A 386 82.488 10.281 -6.257 1.00 0.00 H new ATOM 0 HA TYR A 386 84.514 9.289 -8.199 1.00 0.00 H new ATOM 0 HB2 TYR A 386 82.849 11.808 -8.506 1.00 0.00 H new ATOM 0 HB3 TYR A 386 83.687 10.898 -9.747 1.00 0.00 H new ATOM 0 HD1 TYR A 386 80.923 10.586 -7.232 1.00 0.00 H new ATOM 0 HD2 TYR A 386 82.539 9.213 -10.968 1.00 0.00 H new ATOM 0 HE1 TYR A 386 78.870 9.253 -7.629 1.00 0.00 H new ATOM 0 HE2 TYR A 386 80.487 7.879 -11.364 1.00 0.00 H new ATOM 0 HH TYR A 386 78.480 7.267 -10.599 1.00 0.00 H new ATOM 996 N VAL A 387 86.134 10.608 -6.791 1.00 0.00 N ATOM 997 CA VAL A 387 87.174 11.449 -6.205 1.00 0.00 C ATOM 998 C VAL A 387 88.109 11.968 -7.290 1.00 0.00 C ATOM 999 O VAL A 387 88.638 11.196 -8.090 1.00 0.00 O ATOM 1000 CB VAL A 387 87.970 10.643 -5.170 1.00 0.00 C ATOM 1001 CG1 VAL A 387 88.840 9.599 -5.875 1.00 0.00 C ATOM 1002 CG2 VAL A 387 88.863 11.589 -4.365 1.00 0.00 C ATOM 0 H VAL A 387 86.394 9.627 -6.893 1.00 0.00 H new ATOM 0 HA VAL A 387 86.703 12.301 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 387 87.274 10.136 -4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 387 89.401 9.032 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 387 88.205 8.921 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 387 89.534 10.100 -6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.429 11.017 -3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 387 89.553 12.098 -5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 387 88.244 12.326 -3.854 1.00 0.00 H new ATOM 1012 N LEU A 388 88.303 13.283 -7.317 1.00 0.00 N ATOM 1013 CA LEU A 388 89.172 13.905 -8.313 1.00 0.00 C ATOM 1014 C LEU A 388 90.583 14.084 -7.764 1.00 0.00 C ATOM 1015 O LEU A 388 90.770 14.417 -6.593 1.00 0.00 O ATOM 1016 CB LEU A 388 88.607 15.267 -8.713 1.00 0.00 C ATOM 1017 CG LEU A 388 87.096 15.156 -8.940 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.561 16.484 -9.494 1.00 0.00 C ATOM 1019 CD2 LEU A 388 86.806 14.030 -9.938 1.00 0.00 C ATOM 0 H LEU A 388 87.872 13.937 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 388 89.216 13.253 -9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.814 16.000 -7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.095 15.621 -9.621 1.00 0.00 H new ATOM 0 HG LEU A 388 86.604 14.934 -7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 388 85.486 16.404 -9.655 1.00 0.00 H new ATOM 0 HD12 LEU A 388 86.763 17.283 -8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 388 87.054 16.709 -10.440 1.00 0.00 H new ATOM 0 HD21 LEU A 388 85.730 13.953 -10.098 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.299 14.248 -10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 388 87.182 13.087 -9.542 1.00 0.00 H new ATOM 1031 N VAL A 389 91.576 13.862 -8.625 1.00 0.00 N ATOM 1032 CA VAL A 389 92.981 14.002 -8.238 1.00 0.00 C ATOM 1033 C VAL A 389 93.646 15.100 -9.060 1.00 0.00 C ATOM 1034 O VAL A 389 92.989 15.791 -9.838 1.00 0.00 O ATOM 1035 CB VAL A 389 93.716 12.680 -8.467 1.00 0.00 C ATOM 1036 CG1 VAL A 389 93.277 11.663 -7.411 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.378 12.145 -9.860 1.00 0.00 C ATOM 0 H VAL A 389 91.434 13.584 -9.596 1.00 0.00 H new ATOM 0 HA VAL A 389 93.029 14.267 -7.182 1.00 0.00 H new ATOM 0 HB VAL A 389 94.791 12.843 -8.390 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.800 10.721 -7.574 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.515 12.044 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 389 92.202 11.499 -7.488 1.00 0.00 H new ATOM 0 HG21 VAL A 389 93.901 11.203 -10.025 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.303 11.981 -9.936 1.00 0.00 H new ATOM 0 HG23 VAL A 389 93.689 12.869 -10.613 1.00 0.00 H new ATOM 1047 N SER A 390 94.956 15.256 -8.883 1.00 0.00 N ATOM 1048 CA SER A 390 95.711 16.276 -9.614 1.00 0.00 C ATOM 1049 C SER A 390 97.084 15.744 -10.011 1.00 0.00 C ATOM 1050 O SER A 390 98.016 15.737 -9.206 1.00 0.00 O ATOM 1051 CB SER A 390 95.878 17.523 -8.744 1.00 0.00 C ATOM 1052 OG SER A 390 94.649 17.803 -8.085 1.00 0.00 O ATOM 0 H SER A 390 95.516 14.693 -8.243 1.00 0.00 H new ATOM 0 HA SER A 390 95.158 16.533 -10.518 1.00 0.00 H new ATOM 0 HB2 SER A 390 96.670 17.366 -8.011 1.00 0.00 H new ATOM 0 HB3 SER A 390 96.176 18.372 -9.359 1.00 0.00 H new ATOM 0 HG SER A 390 94.752 18.601 -7.525 1.00 0.00 H new ATOM 1058 N GLY A 391 97.201 15.301 -11.259 1.00 0.00 N ATOM 1059 CA GLY A 391 98.466 14.770 -11.757 1.00 0.00 C ATOM 1060 C GLY A 391 99.103 13.829 -10.741 1.00 0.00 C ATOM 1061 O GLY A 391 98.471 12.882 -10.275 1.00 0.00 O ATOM 0 H GLY A 391 96.442 15.299 -11.940 1.00 0.00 H new ATOM 0 HA2 GLY A 391 98.298 14.239 -12.694 1.00 0.00 H new ATOM 0 HA3 GLY A 391 99.149 15.592 -11.975 1.00 0.00 H new ATOM 1065 N VAL A 392 100.361 14.097 -10.401 1.00 0.00 N ATOM 1066 CA VAL A 392 101.079 13.270 -9.438 1.00 0.00 C ATOM 1067 C VAL A 392 102.223 14.057 -8.807 1.00 0.00 C ATOM 1068 O VAL A 392 102.869 14.870 -9.468 1.00 0.00 O ATOM 1069 CB VAL A 392 101.635 12.024 -10.131 1.00 0.00 C ATOM 1070 CG1 VAL A 392 102.665 12.440 -11.182 1.00 0.00 C ATOM 1071 CG2 VAL A 392 102.304 11.120 -9.092 1.00 0.00 C ATOM 0 H VAL A 392 100.901 14.877 -10.776 1.00 0.00 H new ATOM 0 HA VAL A 392 100.383 12.969 -8.655 1.00 0.00 H new ATOM 0 HB VAL A 392 100.821 11.484 -10.615 1.00 0.00 H new ATOM 0 HG11 VAL A 392 103.061 11.552 -11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 392 102.190 13.085 -11.922 1.00 0.00 H new ATOM 0 HG13 VAL A 392 103.479 12.980 -10.699 1.00 0.00 H new ATOM 0 HG21 VAL A 392 102.701 10.232 -9.584 1.00 0.00 H new ATOM 0 HG22 VAL A 392 103.118 11.661 -8.609 1.00 0.00 H new ATOM 0 HG23 VAL A 392 101.571 10.823 -8.342 1.00 0.00 H new ATOM 1081 N TYR A 393 102.462 13.813 -7.522 1.00 0.00 N ATOM 1082 CA TYR A 393 103.525 14.504 -6.797 1.00 0.00 C ATOM 1083 C TYR A 393 104.851 13.758 -6.933 1.00 0.00 C ATOM 1084 O TYR A 393 105.023 12.936 -7.834 1.00 0.00 O ATOM 1085 CB TYR A 393 103.147 14.623 -5.319 1.00 0.00 C ATOM 1086 CG TYR A 393 101.858 15.400 -5.198 1.00 0.00 C ATOM 1087 CD1 TYR A 393 101.884 16.800 -5.179 1.00 0.00 C ATOM 1088 CD2 TYR A 393 100.637 14.723 -5.106 1.00 0.00 C ATOM 1089 CE1 TYR A 393 100.690 17.521 -5.068 1.00 0.00 C ATOM 1090 CE2 TYR A 393 99.442 15.443 -4.996 1.00 0.00 C ATOM 1091 CZ TYR A 393 99.468 16.844 -4.976 1.00 0.00 C ATOM 1092 OH TYR A 393 98.291 17.555 -4.867 1.00 0.00 O ATOM 0 H TYR A 393 101.935 13.143 -6.961 1.00 0.00 H new ATOM 0 HA TYR A 393 103.645 15.499 -7.225 1.00 0.00 H new ATOM 0 HB2 TYR A 393 103.031 13.632 -4.880 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.942 15.125 -4.767 1.00 0.00 H new ATOM 0 HD1 TYR A 393 102.826 17.323 -5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 393 100.617 13.643 -5.120 1.00 0.00 H new ATOM 0 HE1 TYR A 393 100.711 18.601 -5.053 1.00 0.00 H new ATOM 0 HE2 TYR A 393 98.500 14.919 -4.927 1.00 0.00 H new ATOM 0 HH TYR A 393 97.536 16.932 -4.814 1.00 0.00 H new ATOM 1102 N ALA A 394 105.786 14.051 -6.029 1.00 0.00 N ATOM 1103 CA ALA A 394 107.106 13.411 -6.042 1.00 0.00 C ATOM 1104 C ALA A 394 107.382 12.731 -4.704 1.00 0.00 C ATOM 1105 O ALA A 394 108.186 11.804 -4.622 1.00 0.00 O ATOM 1106 CB ALA A 394 108.187 14.457 -6.314 1.00 0.00 C ATOM 0 H ALA A 394 105.656 14.728 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 394 107.119 12.659 -6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 394 109.165 13.976 -6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 394 108.005 14.926 -7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.163 15.217 -5.533 1.00 0.00 H new ATOM 1112 N SER A 395 106.709 13.199 -3.658 1.00 0.00 N ATOM 1113 CA SER A 395 106.890 12.629 -2.328 1.00 0.00 C ATOM 1114 C SER A 395 105.842 13.179 -1.365 1.00 0.00 C ATOM 1115 O SER A 395 105.094 14.094 -1.706 1.00 0.00 O ATOM 1116 CB SER A 395 108.288 12.958 -1.805 1.00 0.00 C ATOM 1117 OG SER A 395 108.452 14.369 -1.758 1.00 0.00 O ATOM 0 H SER A 395 106.038 13.966 -3.704 1.00 0.00 H new ATOM 0 HA SER A 395 106.774 11.547 -2.397 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.427 12.531 -0.812 1.00 0.00 H new ATOM 0 HB3 SER A 395 109.045 12.514 -2.452 1.00 0.00 H new ATOM 0 HG SER A 395 109.347 14.583 -1.421 1.00 0.00 H new ATOM 1123 N LYS A 396 105.796 12.617 -0.162 1.00 0.00 N ATOM 1124 CA LYS A 396 104.836 13.064 0.840 1.00 0.00 C ATOM 1125 C LYS A 396 105.271 14.398 1.437 1.00 0.00 C ATOM 1126 O LYS A 396 104.507 15.051 2.148 1.00 0.00 O ATOM 1127 CB LYS A 396 104.713 12.018 1.951 1.00 0.00 C ATOM 1128 CG LYS A 396 103.667 12.473 2.973 1.00 0.00 C ATOM 1129 CD LYS A 396 103.241 11.285 3.838 1.00 0.00 C ATOM 1130 CE LYS A 396 104.473 10.660 4.497 1.00 0.00 C ATOM 1131 NZ LYS A 396 104.043 9.774 5.616 1.00 0.00 N ATOM 0 H LYS A 396 106.406 11.858 0.141 1.00 0.00 H new ATOM 0 HA LYS A 396 103.867 13.193 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 396 104.427 11.055 1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 396 105.677 11.878 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 396 104.078 13.264 3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 396 102.801 12.891 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 396 102.535 11.613 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 396 102.728 10.543 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 396 105.040 10.087 3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 396 105.134 11.442 4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 104.880 9.349 6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 103.520 10.333 6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 103.429 9.021 5.246 1.00 0.00 H new ATOM 1145 N GLU A 397 106.504 14.797 1.142 1.00 0.00 N ATOM 1146 CA GLU A 397 107.033 16.055 1.654 1.00 0.00 C ATOM 1147 C GLU A 397 106.481 17.232 0.854 1.00 0.00 C ATOM 1148 O GLU A 397 105.957 18.191 1.423 1.00 0.00 O ATOM 1149 CB GLU A 397 108.562 16.049 1.573 1.00 0.00 C ATOM 1150 CG GLU A 397 109.089 14.675 1.993 1.00 0.00 C ATOM 1151 CD GLU A 397 110.609 14.712 2.109 1.00 0.00 C ATOM 1152 OE1 GLU A 397 111.189 15.709 1.713 1.00 0.00 O ATOM 1153 OE2 GLU A 397 111.170 13.742 2.592 1.00 0.00 O ATOM 0 H GLU A 397 107.152 14.271 0.555 1.00 0.00 H new ATOM 0 HA GLU A 397 106.726 16.162 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 397 108.884 16.279 0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 397 108.974 16.822 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 397 108.650 14.384 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 397 108.790 13.923 1.263 1.00 0.00 H new ATOM 1160 N GLU A 398 106.603 17.152 -0.467 1.00 0.00 N ATOM 1161 CA GLU A 398 106.114 18.216 -1.337 1.00 0.00 C ATOM 1162 C GLU A 398 104.604 18.109 -1.521 1.00 0.00 C ATOM 1163 O GLU A 398 103.908 19.119 -1.621 1.00 0.00 O ATOM 1164 CB GLU A 398 106.802 18.134 -2.700 1.00 0.00 C ATOM 1165 CG GLU A 398 106.275 19.247 -3.608 1.00 0.00 C ATOM 1166 CD GLU A 398 107.155 19.371 -4.847 1.00 0.00 C ATOM 1167 OE1 GLU A 398 108.365 19.398 -4.690 1.00 0.00 O ATOM 1168 OE2 GLU A 398 106.606 19.436 -5.935 1.00 0.00 O ATOM 0 H GLU A 398 107.033 16.367 -0.956 1.00 0.00 H new ATOM 0 HA GLU A 398 106.344 19.174 -0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 398 107.881 18.229 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 398 106.616 17.161 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 398 105.248 19.032 -3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 398 106.260 20.193 -3.066 1.00 0.00 H new ATOM 1175 N ALA A 399 104.104 16.878 -1.567 1.00 0.00 N ATOM 1176 CA ALA A 399 102.673 16.652 -1.741 1.00 0.00 C ATOM 1177 C ALA A 399 101.894 17.197 -0.549 1.00 0.00 C ATOM 1178 O ALA A 399 100.937 17.955 -0.714 1.00 0.00 O ATOM 1179 CB ALA A 399 102.395 15.155 -1.892 1.00 0.00 C ATOM 0 H ALA A 399 104.663 16.028 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 399 102.350 17.175 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.325 14.995 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.927 14.772 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.735 14.630 -0.999 1.00 0.00 H new ATOM 1185 N LYS A 400 102.308 16.808 0.652 1.00 0.00 N ATOM 1186 CA LYS A 400 101.640 17.267 1.865 1.00 0.00 C ATOM 1187 C LYS A 400 101.696 18.788 1.965 1.00 0.00 C ATOM 1188 O LYS A 400 100.760 19.422 2.451 1.00 0.00 O ATOM 1189 CB LYS A 400 102.306 16.647 3.095 1.00 0.00 C ATOM 1190 CG LYS A 400 101.595 17.133 4.361 1.00 0.00 C ATOM 1191 CD LYS A 400 102.000 16.252 5.546 1.00 0.00 C ATOM 1192 CE LYS A 400 103.499 16.410 5.815 1.00 0.00 C ATOM 1193 NZ LYS A 400 103.815 15.887 7.174 1.00 0.00 N ATOM 0 H LYS A 400 103.097 16.181 0.812 1.00 0.00 H new ATOM 0 HA LYS A 400 100.596 16.956 1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 400 102.263 15.559 3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 400 103.360 16.923 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 400 101.856 18.172 4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 400 100.515 17.097 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 400 101.430 16.532 6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 400 101.766 15.209 5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 400 104.074 15.870 5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 400 103.784 17.459 5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 104.833 15.993 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 103.276 16.421 7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 103.557 14.881 7.228 1.00 0.00 H new ATOM 1207 N LYS A 401 102.799 19.366 1.503 1.00 0.00 N ATOM 1208 CA LYS A 401 102.968 20.814 1.545 1.00 0.00 C ATOM 1209 C LYS A 401 102.184 21.478 0.415 1.00 0.00 C ATOM 1210 O LYS A 401 101.573 22.530 0.606 1.00 0.00 O ATOM 1211 CB LYS A 401 104.457 21.171 1.420 1.00 0.00 C ATOM 1212 CG LYS A 401 104.702 22.615 1.905 1.00 0.00 C ATOM 1213 CD LYS A 401 104.961 22.630 3.418 1.00 0.00 C ATOM 1214 CE LYS A 401 105.014 24.077 3.911 1.00 0.00 C ATOM 1215 NZ LYS A 401 105.171 24.092 5.393 1.00 0.00 N ATOM 0 H LYS A 401 103.585 18.858 1.097 1.00 0.00 H new ATOM 0 HA LYS A 401 102.587 21.179 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 401 105.056 20.476 2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 401 104.777 21.069 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 401 105.555 23.043 1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 401 103.838 23.237 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 401 104.173 22.086 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 401 105.900 22.123 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 401 105.846 24.602 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 401 104.103 24.603 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 105.207 25.076 5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 104.364 23.606 5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 106.052 23.605 5.654 1.00 0.00 H new ATOM 1229 N ALA A 402 102.208 20.857 -0.759 1.00 0.00 N ATOM 1230 CA ALA A 402 101.496 21.396 -1.911 1.00 0.00 C ATOM 1231 C ALA A 402 100.057 21.739 -1.541 1.00 0.00 C ATOM 1232 O ALA A 402 99.402 22.530 -2.219 1.00 0.00 O ATOM 1233 CB ALA A 402 101.503 20.377 -3.053 1.00 0.00 C ATOM 0 H ALA A 402 102.709 19.986 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 402 102.002 22.306 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 402 100.969 20.787 -3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 402 102.532 20.157 -3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 402 101.013 19.460 -2.725 1.00 0.00 H new ATOM 1239 N VAL A 403 99.570 21.136 -0.461 1.00 0.00 N ATOM 1240 CA VAL A 403 98.207 21.383 -0.008 1.00 0.00 C ATOM 1241 C VAL A 403 97.938 22.880 0.091 1.00 0.00 C ATOM 1242 O VAL A 403 96.797 23.326 -0.036 1.00 0.00 O ATOM 1243 CB VAL A 403 97.988 20.735 1.361 1.00 0.00 C ATOM 1244 CG1 VAL A 403 98.840 21.452 2.412 1.00 0.00 C ATOM 1245 CG2 VAL A 403 96.510 20.841 1.745 1.00 0.00 C ATOM 0 H VAL A 403 100.096 20.477 0.113 1.00 0.00 H new ATOM 0 HA VAL A 403 97.519 20.948 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 403 98.279 19.685 1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 403 98.682 20.989 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 403 99.893 21.376 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 403 98.552 22.502 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 403 96.353 20.380 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 403 96.220 21.891 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 403 95.903 20.328 0.999 1.00 0.00 H new ATOM 1255 N SER A 404 98.995 23.650 0.320 1.00 0.00 N ATOM 1256 CA SER A 404 98.860 25.095 0.439 1.00 0.00 C ATOM 1257 C SER A 404 98.476 25.713 -0.902 1.00 0.00 C ATOM 1258 O SER A 404 97.839 26.765 -0.953 1.00 0.00 O ATOM 1259 CB SER A 404 100.173 25.705 0.927 1.00 0.00 C ATOM 1260 OG SER A 404 100.184 27.096 0.632 1.00 0.00 O ATOM 0 H SER A 404 99.947 23.301 0.426 1.00 0.00 H new ATOM 0 HA SER A 404 98.071 25.307 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 404 100.283 25.548 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 404 101.017 25.213 0.445 1.00 0.00 H new ATOM 0 HG SER A 404 101.025 27.490 0.945 1.00 0.00 H new ATOM 1266 N THR A 405 98.869 25.052 -1.986 1.00 0.00 N ATOM 1267 CA THR A 405 98.562 25.546 -3.324 1.00 0.00 C ATOM 1268 C THR A 405 97.054 25.609 -3.540 1.00 0.00 C ATOM 1269 O THR A 405 96.543 26.548 -4.151 1.00 0.00 O ATOM 1270 CB THR A 405 99.191 24.630 -4.377 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.596 23.343 -4.298 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.695 24.517 -4.124 1.00 0.00 C ATOM 0 H THR A 405 99.397 24.179 -1.966 1.00 0.00 H new ATOM 0 HA THR A 405 98.974 26.550 -3.422 1.00 0.00 H new ATOM 0 HB THR A 405 99.023 25.047 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.649 23.014 -3.376 1.00 0.00 H new ATOM 0 HG21 THR A 405 101.142 23.865 -4.874 1.00 0.00 H new ATOM 0 HG22 THR A 405 101.150 25.506 -4.186 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.867 24.100 -3.132 1.00 0.00 H new ATOM 1280 N LEU A 406 96.346 24.602 -3.039 1.00 0.00 N ATOM 1281 CA LEU A 406 94.896 24.554 -3.188 1.00 0.00 C ATOM 1282 C LEU A 406 94.235 25.619 -2.305 1.00 0.00 C ATOM 1283 O LEU A 406 94.747 25.936 -1.232 1.00 0.00 O ATOM 1284 CB LEU A 406 94.382 23.165 -2.793 1.00 0.00 C ATOM 1285 CG LEU A 406 95.308 22.089 -3.367 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.747 20.705 -3.036 1.00 0.00 C ATOM 1287 CD2 LEU A 406 95.402 22.252 -4.889 1.00 0.00 C ATOM 0 H LEU A 406 96.748 23.815 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 406 94.643 24.753 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.337 23.078 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.368 23.022 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 406 96.301 22.194 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.406 19.938 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 406 94.681 20.588 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.754 20.601 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 406 96.061 21.486 -5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 406 94.410 22.148 -5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 406 95.802 23.238 -5.125 1.00 0.00 H new ATOM 1299 N PRO A 407 93.117 26.176 -2.721 1.00 0.00 N ATOM 1300 CA PRO A 407 92.403 27.221 -1.925 1.00 0.00 C ATOM 1301 C PRO A 407 91.702 26.627 -0.703 1.00 0.00 C ATOM 1302 O PRO A 407 91.645 25.407 -0.539 1.00 0.00 O ATOM 1303 CB PRO A 407 91.391 27.796 -2.924 1.00 0.00 C ATOM 1304 CG PRO A 407 91.100 26.667 -3.855 1.00 0.00 C ATOM 1305 CD PRO A 407 92.409 25.883 -3.983 1.00 0.00 C ATOM 0 HA PRO A 407 93.079 27.973 -1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 407 90.487 28.138 -2.420 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.803 28.653 -3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 407 90.302 26.035 -3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.769 27.036 -4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 407 92.226 24.815 -4.101 1.00 0.00 H new ATOM 0 HD3 PRO A 407 92.986 26.205 -4.850 1.00 0.00 H new ATOM 1313 N ALA A 408 91.170 27.497 0.150 1.00 0.00 N ATOM 1314 CA ALA A 408 90.475 27.048 1.351 1.00 0.00 C ATOM 1315 C ALA A 408 89.299 26.148 0.987 1.00 0.00 C ATOM 1316 O ALA A 408 89.210 25.009 1.446 1.00 0.00 O ATOM 1317 CB ALA A 408 89.972 28.254 2.145 1.00 0.00 C ATOM 0 H ALA A 408 91.206 28.510 0.033 1.00 0.00 H new ATOM 0 HA ALA A 408 91.176 26.479 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 408 89.454 27.910 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.818 28.879 2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 408 89.285 28.834 1.529 1.00 0.00 H new ATOM 1323 N ASP A 409 88.395 26.669 0.160 1.00 0.00 N ATOM 1324 CA ASP A 409 87.219 25.909 -0.262 1.00 0.00 C ATOM 1325 C ASP A 409 87.578 24.449 -0.530 1.00 0.00 C ATOM 1326 O ASP A 409 86.885 23.537 -0.077 1.00 0.00 O ATOM 1327 CB ASP A 409 86.626 26.530 -1.529 1.00 0.00 C ATOM 1328 CG ASP A 409 86.456 28.034 -1.342 1.00 0.00 C ATOM 1329 OD1 ASP A 409 87.448 28.694 -1.081 1.00 0.00 O ATOM 1330 OD2 ASP A 409 85.336 28.502 -1.461 1.00 0.00 O ATOM 0 H ASP A 409 88.453 27.610 -0.230 1.00 0.00 H new ATOM 0 HA ASP A 409 86.485 25.943 0.543 1.00 0.00 H new ATOM 0 HB2 ASP A 409 87.278 26.332 -2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 409 85.663 26.072 -1.752 1.00 0.00 H new ATOM 1335 N VAL A 410 88.664 24.234 -1.263 1.00 0.00 N ATOM 1336 CA VAL A 410 89.107 22.881 -1.579 1.00 0.00 C ATOM 1337 C VAL A 410 89.693 22.212 -0.336 1.00 0.00 C ATOM 1338 O VAL A 410 89.595 20.997 -0.165 1.00 0.00 O ATOM 1339 CB VAL A 410 90.158 22.924 -2.693 1.00 0.00 C ATOM 1340 CG1 VAL A 410 90.751 21.529 -2.903 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.499 23.395 -3.995 1.00 0.00 C ATOM 0 H VAL A 410 89.251 24.974 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 410 88.249 22.300 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 410 90.953 23.614 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.497 21.567 -3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.220 21.190 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 410 89.958 20.835 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.245 23.427 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 410 88.703 22.703 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 410 89.080 24.391 -3.851 1.00 0.00 H new ATOM 1351 N GLN A 411 90.313 23.020 0.523 1.00 0.00 N ATOM 1352 CA GLN A 411 90.927 22.508 1.748 1.00 0.00 C ATOM 1353 C GLN A 411 89.909 22.438 2.888 1.00 0.00 C ATOM 1354 O GLN A 411 90.203 21.919 3.963 1.00 0.00 O ATOM 1355 CB GLN A 411 92.092 23.419 2.156 1.00 0.00 C ATOM 1356 CG GLN A 411 93.016 22.682 3.133 1.00 0.00 C ATOM 1357 CD GLN A 411 94.233 23.546 3.449 1.00 0.00 C ATOM 1358 OE1 GLN A 411 94.151 24.773 3.412 1.00 0.00 O ATOM 1359 NE2 GLN A 411 95.364 22.974 3.759 1.00 0.00 N ATOM 0 H GLN A 411 90.403 24.028 0.395 1.00 0.00 H new ATOM 0 HA GLN A 411 91.293 21.500 1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 411 92.652 23.724 1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.709 24.328 2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 411 92.477 22.448 4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 411 93.335 21.734 2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 411 95.430 21.957 3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 411 96.183 23.544 3.971 1.00 0.00 H new ATOM 1368 N ALA A 412 88.715 22.970 2.647 1.00 0.00 N ATOM 1369 CA ALA A 412 87.669 22.968 3.667 1.00 0.00 C ATOM 1370 C ALA A 412 87.262 21.543 4.040 1.00 0.00 C ATOM 1371 O ALA A 412 86.882 21.278 5.181 1.00 0.00 O ATOM 1372 CB ALA A 412 86.445 23.729 3.154 1.00 0.00 C ATOM 0 H ALA A 412 88.448 23.404 1.764 1.00 0.00 H new ATOM 0 HA ALA A 412 88.064 23.457 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 412 85.668 23.725 3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 412 86.725 24.758 2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 412 86.069 23.247 2.251 1.00 0.00 H new ATOM 1378 N LYS A 413 87.330 20.634 3.073 1.00 0.00 N ATOM 1379 CA LYS A 413 86.952 19.241 3.310 1.00 0.00 C ATOM 1380 C LYS A 413 88.114 18.457 3.928 1.00 0.00 C ATOM 1381 O LYS A 413 88.184 17.234 3.800 1.00 0.00 O ATOM 1382 CB LYS A 413 86.517 18.589 1.979 1.00 0.00 C ATOM 1383 CG LYS A 413 87.294 19.223 0.805 1.00 0.00 C ATOM 1384 CD LYS A 413 86.539 20.455 0.265 1.00 0.00 C ATOM 1385 CE LYS A 413 85.502 20.022 -0.780 1.00 0.00 C ATOM 1386 NZ LYS A 413 84.591 21.162 -1.078 1.00 0.00 N ATOM 0 H LYS A 413 87.641 20.833 2.122 1.00 0.00 H new ATOM 0 HA LYS A 413 86.119 19.220 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 413 86.703 17.515 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 413 85.445 18.723 1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 413 88.291 19.515 1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 413 87.424 18.490 0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 413 86.045 20.976 1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 413 87.244 21.157 -0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 413 86.003 19.695 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 413 84.929 19.172 -0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 83.888 20.869 -1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 84.104 21.454 -0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 85.144 21.961 -1.449 1.00 0.00 H new ATOM 1400 N ASN A 414 89.015 19.158 4.610 1.00 0.00 N ATOM 1401 CA ASN A 414 90.155 18.504 5.251 1.00 0.00 C ATOM 1402 C ASN A 414 90.741 17.405 4.366 1.00 0.00 C ATOM 1403 O ASN A 414 90.636 16.220 4.682 1.00 0.00 O ATOM 1404 CB ASN A 414 89.721 17.902 6.588 1.00 0.00 C ATOM 1405 CG ASN A 414 88.859 18.899 7.353 1.00 0.00 C ATOM 1406 OD1 ASN A 414 87.820 19.332 6.857 1.00 0.00 O ATOM 1407 ND2 ASN A 414 89.230 19.290 8.542 1.00 0.00 N ATOM 0 H ASN A 414 88.981 20.170 4.733 1.00 0.00 H new ATOM 0 HA ASN A 414 90.925 19.258 5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 414 89.163 16.982 6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 414 90.598 17.638 7.179 1.00 0.00 H new ATOM 0 HD21 ASN A 414 88.658 19.956 9.062 1.00 0.00 H new ATOM 0 HD22 ASN A 414 90.092 18.930 8.951 1.00 0.00 H new ATOM 1414 N PRO A 415 91.358 17.776 3.276 1.00 0.00 N ATOM 1415 CA PRO A 415 91.983 16.804 2.332 1.00 0.00 C ATOM 1416 C PRO A 415 92.843 15.774 3.064 1.00 0.00 C ATOM 1417 O PRO A 415 93.482 16.089 4.067 1.00 0.00 O ATOM 1418 CB PRO A 415 92.836 17.693 1.418 1.00 0.00 C ATOM 1419 CG PRO A 415 92.152 19.022 1.429 1.00 0.00 C ATOM 1420 CD PRO A 415 91.527 19.167 2.821 1.00 0.00 C ATOM 0 HA PRO A 415 91.244 16.216 1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 415 93.859 17.772 1.786 1.00 0.00 H new ATOM 0 HB3 PRO A 415 92.891 17.285 0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 415 92.861 19.827 1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 415 91.389 19.074 0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 415 92.173 19.732 3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 415 90.573 19.693 2.779 1.00 0.00 H new ATOM 1428 N TRP A 416 92.856 14.542 2.555 1.00 0.00 N ATOM 1429 CA TRP A 416 93.643 13.469 3.167 1.00 0.00 C ATOM 1430 C TRP A 416 94.385 12.677 2.096 1.00 0.00 C ATOM 1431 O TRP A 416 93.893 12.509 0.981 1.00 0.00 O ATOM 1432 CB TRP A 416 92.728 12.533 3.960 1.00 0.00 C ATOM 1433 CG TRP A 416 91.796 11.827 3.027 1.00 0.00 C ATOM 1434 CD1 TRP A 416 90.804 12.420 2.324 1.00 0.00 C ATOM 1435 CD2 TRP A 416 91.750 10.411 2.685 1.00 0.00 C ATOM 1436 NE1 TRP A 416 90.153 11.459 1.573 1.00 0.00 N ATOM 1437 CE2 TRP A 416 90.699 10.205 1.760 1.00 0.00 C ATOM 1438 CE3 TRP A 416 92.511 9.297 3.083 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 90.413 8.939 1.249 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 92.225 8.021 2.570 1.00 0.00 C ATOM 1441 CH2 TRP A 416 91.178 7.842 1.655 1.00 0.00 C ATOM 0 H TRP A 416 92.334 14.262 1.725 1.00 0.00 H new ATOM 0 HA TRP A 416 94.371 13.916 3.843 1.00 0.00 H new ATOM 0 HB2 TRP A 416 93.325 11.807 4.511 1.00 0.00 H new ATOM 0 HB3 TRP A 416 92.159 13.102 4.695 1.00 0.00 H new ATOM 0 HD1 TRP A 416 90.560 13.472 2.346 1.00 0.00 H new ATOM 0 HE1 TRP A 416 89.365 11.653 0.955 1.00 0.00 H new ATOM 0 HE3 TRP A 416 93.320 9.423 3.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 89.605 8.807 0.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 92.815 7.172 2.882 1.00 0.00 H new ATOM 0 HH2 TRP A 416 90.963 6.858 1.265 1.00 0.00 H new ATOM 1452 N ALA A 417 95.573 12.191 2.444 1.00 0.00 N ATOM 1453 CA ALA A 417 96.375 11.418 1.506 1.00 0.00 C ATOM 1454 C ALA A 417 95.585 10.217 0.996 1.00 0.00 C ATOM 1455 O ALA A 417 94.665 9.741 1.660 1.00 0.00 O ATOM 1456 CB ALA A 417 97.661 10.941 2.184 1.00 0.00 C ATOM 0 H ALA A 417 95.998 12.318 3.363 1.00 0.00 H new ATOM 0 HA ALA A 417 96.631 12.056 0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 417 98.254 10.364 1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 417 98.236 11.803 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 417 97.410 10.315 3.041 1.00 0.00 H new ATOM 1462 N LYS A 418 95.946 9.734 -0.191 1.00 0.00 N ATOM 1463 CA LYS A 418 95.264 8.588 -0.793 1.00 0.00 C ATOM 1464 C LYS A 418 96.267 7.695 -1.530 1.00 0.00 C ATOM 1465 O LYS A 418 96.545 7.920 -2.708 1.00 0.00 O ATOM 1466 CB LYS A 418 94.211 9.081 -1.788 1.00 0.00 C ATOM 1467 CG LYS A 418 93.275 7.927 -2.156 1.00 0.00 C ATOM 1468 CD LYS A 418 92.339 8.364 -3.284 1.00 0.00 C ATOM 1469 CE LYS A 418 91.226 7.324 -3.451 1.00 0.00 C ATOM 1470 NZ LYS A 418 91.775 5.964 -3.192 1.00 0.00 N ATOM 0 H LYS A 418 96.705 10.117 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 418 94.787 8.012 0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.640 9.901 -1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 418 94.696 9.470 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 418 93.856 7.059 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 418 92.694 7.625 -1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 418 91.909 9.340 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 418 92.897 8.469 -4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 418 90.409 7.536 -2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 418 90.813 7.376 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 91.252 5.265 -3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 92.781 5.939 -3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 91.677 5.736 -2.182 1.00 0.00 H new ATOM 1484 N PRO A 419 96.821 6.696 -0.876 1.00 0.00 N ATOM 1485 CA PRO A 419 97.812 5.782 -1.517 1.00 0.00 C ATOM 1486 C PRO A 419 97.400 5.378 -2.931 1.00 0.00 C ATOM 1487 O PRO A 419 96.375 4.725 -3.128 1.00 0.00 O ATOM 1488 CB PRO A 419 97.836 4.579 -0.573 1.00 0.00 C ATOM 1489 CG PRO A 419 97.556 5.162 0.773 1.00 0.00 C ATOM 1490 CD PRO A 419 96.576 6.318 0.531 1.00 0.00 C ATOM 0 HA PRO A 419 98.789 6.249 -1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 419 97.084 3.840 -0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 419 98.802 4.075 -0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 419 97.124 4.416 1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 419 98.472 5.518 1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 419 95.543 6.007 0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 419 96.764 7.151 1.208 1.00 0.00 H new ATOM 1498 N LEU A 420 98.208 5.774 -3.909 1.00 0.00 N ATOM 1499 CA LEU A 420 97.928 5.454 -5.306 1.00 0.00 C ATOM 1500 C LEU A 420 97.504 3.987 -5.436 1.00 0.00 C ATOM 1501 O LEU A 420 96.854 3.599 -6.407 1.00 0.00 O ATOM 1502 CB LEU A 420 99.189 5.732 -6.155 1.00 0.00 C ATOM 1503 CG LEU A 420 98.812 6.331 -7.519 1.00 0.00 C ATOM 1504 CD1 LEU A 420 100.088 6.682 -8.287 1.00 0.00 C ATOM 1505 CD2 LEU A 420 97.992 5.314 -8.325 1.00 0.00 C ATOM 0 H LEU A 420 99.060 6.316 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 420 97.110 6.078 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 420 99.847 6.418 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 420 99.745 4.806 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 420 98.216 7.231 -7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 420 99.824 7.107 -9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 420 100.667 7.408 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 420 100.682 5.781 -8.436 1.00 0.00 H new ATOM 0 HD21 LEU A 420 97.727 5.744 -9.291 1.00 0.00 H new ATOM 0 HD22 LEU A 420 98.583 4.411 -8.479 1.00 0.00 H new ATOM 0 HD23 LEU A 420 97.083 5.064 -7.778 1.00 0.00 H new ATOM 1517 N ARG A 421 97.879 3.182 -4.448 1.00 0.00 N ATOM 1518 CA ARG A 421 97.539 1.764 -4.455 1.00 0.00 C ATOM 1519 C ARG A 421 96.051 1.563 -4.725 1.00 0.00 C ATOM 1520 O ARG A 421 95.666 1.027 -5.763 1.00 0.00 O ATOM 1521 CB ARG A 421 97.902 1.135 -3.110 1.00 0.00 C ATOM 1522 CG ARG A 421 99.423 1.146 -2.933 1.00 0.00 C ATOM 1523 CD ARG A 421 99.780 0.615 -1.544 1.00 0.00 C ATOM 1524 NE ARG A 421 99.311 1.536 -0.515 1.00 0.00 N ATOM 1525 CZ ARG A 421 99.638 1.365 0.761 1.00 0.00 C ATOM 1526 NH1 ARG A 421 100.395 0.361 1.112 1.00 0.00 N ATOM 1527 NH2 ARG A 421 99.207 2.203 1.664 1.00 0.00 N ATOM 0 H ARG A 421 98.416 3.485 -3.636 1.00 0.00 H new ATOM 0 HA ARG A 421 98.106 1.281 -5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 421 97.427 1.687 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 421 97.527 0.113 -3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 421 99.893 0.531 -3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 421 99.807 2.159 -3.056 1.00 0.00 H new ATOM 0 HD2 ARG A 421 99.330 -0.367 -1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 421 100.859 0.487 -1.462 1.00 0.00 H new ATOM 0 HE ARG A 421 98.722 2.325 -0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 421 100.735 -0.292 0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 421 100.646 0.230 2.092 1.00 0.00 H new ATOM 0 HH21 ARG A 421 98.619 2.990 1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 421 99.459 2.071 2.644 1.00 0.00 H new ATOM 1541 N GLN A 422 95.217 1.990 -3.780 1.00 0.00 N ATOM 1542 CA GLN A 422 93.772 1.843 -3.926 1.00 0.00 C ATOM 1543 C GLN A 422 93.321 2.283 -5.309 1.00 0.00 C ATOM 1544 O GLN A 422 92.906 1.455 -6.117 1.00 0.00 O ATOM 1545 CB GLN A 422 93.052 2.668 -2.857 1.00 0.00 C ATOM 1546 CG GLN A 422 91.594 2.216 -2.752 1.00 0.00 C ATOM 1547 CD GLN A 422 91.519 0.830 -2.119 1.00 0.00 C ATOM 1548 OE1 GLN A 422 90.810 -0.043 -2.617 1.00 0.00 O ATOM 1549 NE2 GLN A 422 92.215 0.576 -1.045 1.00 0.00 N ATOM 0 H GLN A 422 95.514 2.437 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 422 93.520 0.790 -3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 422 93.550 2.548 -1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 422 93.097 3.727 -3.110 1.00 0.00 H new ATOM 0 HG2 GLN A 422 91.026 2.929 -2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 422 91.139 2.197 -3.742 1.00 0.00 H new ATOM 0 HE21 GLN A 422 92.802 1.302 -0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 422 92.172 -0.348 -0.616 1.00 0.00 H new ATOM 1558 N VAL A 423 93.391 3.587 -5.569 1.00 0.00 N ATOM 1559 CA VAL A 423 92.983 4.143 -6.862 1.00 0.00 C ATOM 1560 C VAL A 423 93.240 3.153 -7.998 1.00 0.00 C ATOM 1561 O VAL A 423 92.451 3.050 -8.937 1.00 0.00 O ATOM 1562 CB VAL A 423 93.769 5.423 -7.124 1.00 0.00 C ATOM 1563 CG1 VAL A 423 93.435 5.961 -8.519 1.00 0.00 C ATOM 1564 CG2 VAL A 423 93.400 6.472 -6.073 1.00 0.00 C ATOM 0 H VAL A 423 93.727 4.281 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 423 91.914 4.351 -6.826 1.00 0.00 H new ATOM 0 HB VAL A 423 94.836 5.207 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 423 93.999 6.876 -8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 423 93.700 5.216 -9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 423 92.368 6.175 -8.581 1.00 0.00 H new ATOM 0 HG21 VAL A 423 93.962 7.387 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 423 92.332 6.684 -6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 423 93.643 6.093 -5.080 1.00 0.00 H new ATOM 1574 N GLN A 424 94.347 2.420 -7.894 1.00 0.00 N ATOM 1575 CA GLN A 424 94.697 1.430 -8.907 1.00 0.00 C ATOM 1576 C GLN A 424 94.007 0.108 -8.605 1.00 0.00 C ATOM 1577 O GLN A 424 93.466 -0.544 -9.498 1.00 0.00 O ATOM 1578 CB GLN A 424 96.214 1.224 -8.941 1.00 0.00 C ATOM 1579 CG GLN A 424 96.880 2.437 -9.592 1.00 0.00 C ATOM 1580 CD GLN A 424 96.594 2.448 -11.090 1.00 0.00 C ATOM 1581 OE1 GLN A 424 95.784 3.246 -11.562 1.00 0.00 O ATOM 1582 NE2 GLN A 424 97.214 1.605 -11.869 1.00 0.00 N ATOM 0 H GLN A 424 95.012 2.493 -7.124 1.00 0.00 H new ATOM 0 HA GLN A 424 94.365 1.793 -9.880 1.00 0.00 H new ATOM 0 HB2 GLN A 424 96.596 1.086 -7.929 1.00 0.00 H new ATOM 0 HB3 GLN A 424 96.456 0.320 -9.499 1.00 0.00 H new ATOM 0 HG2 GLN A 424 96.508 3.355 -9.136 1.00 0.00 H new ATOM 0 HG3 GLN A 424 97.956 2.408 -9.419 1.00 0.00 H new ATOM 0 HE21 GLN A 424 97.885 0.945 -11.475 1.00 0.00 H new ATOM 0 HE22 GLN A 424 97.028 1.606 -12.872 1.00 0.00 H new