USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=26 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 418 LYS NZ :NH3+ -114:sc= -0.236 (180deg=-0.168) USER MOD Set 1.2: A 422 GLN : amide:sc= 0.229 K(o=-0.0078,f=-0.81) USER MOD Set 2.1: A 355 SER OG : rot 79:sc= 1.14 USER MOD Set 2.2: A 360 ASN : amide:sc= -0.0687 X(o=1.1,f=1.1) USER MOD Set 3.1: A 354 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 413 LYS NZ :NH3+ -144:sc= -6.09! (180deg=-6.96!) USER MOD Single : A 345 SER OG : rot -31:sc= 0.00501 USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot -130:sc= -0.715 USER MOD Single : A 351 GLN : amide:sc= -6.6! C(o=-6.6!,f=-15!) USER MOD Single : A 353 SER OG : rot 17:sc=-0.00143! USER MOD Single : A 356 SER OG : rot -59:sc= 0.48 USER MOD Single : A 357 ASN : amide:sc= -3.16! C(o=-3.2!,f=-4.7!) USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 ASN : amide:sc= -0.639 K(o=-0.64,f=-1.5!) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 LYS NZ :NH3+ -152:sc= -0.185 (180deg=-1.31!) USER MOD Single : A 369 ASN : amide:sc= -0.811 X(o=-0.81,f=-0.37) USER MOD Single : A 371 LYS NZ :NH3+ 150:sc= -1 (180deg=-1.65) USER MOD Single : A 372 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.3) USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 TYR OH : rot 180:sc= -0.56 USER MOD Single : A 378 THR OG1 : rot -114:sc= -0.32! USER MOD Single : A 379 THR OG1 : rot 180:sc= 0 USER MOD Single : A 381 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.043) USER MOD Single : A 383 GLN : amide:sc= -2.82! K(o=-2.8!,f=-0.29) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 390 SER OG : rot 180:sc= -0.0634! 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+ -148:sc=-0.00109 (180deg=-1.78) USER MOD Single : A 400 LYS NZ :NH3+ 156:sc= -0.111 (180deg=-0.732) USER MOD Single : A 401 LYS NZ :NH3+ -121:sc= -0.107 (180deg=-0.659) USER MOD Single : A 404 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 405 THR OG1 : rot -79:sc= 0.404 USER MOD Single : A 411 GLN : amide:sc= -1.1! K(o=-1.1!,f=0) USER MOD Single : A 414 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 424 GLN : amide:sc= -0.61 K(o=-0.61,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 104.218 2.011 -5.648 1.00 0.00 N ATOM 322 CA SER A 345 103.210 2.558 -4.748 1.00 0.00 C ATOM 323 C SER A 345 103.801 3.694 -3.919 1.00 0.00 C ATOM 324 O SER A 345 103.140 4.241 -3.036 1.00 0.00 O ATOM 325 CB SER A 345 102.689 1.464 -3.818 1.00 0.00 C ATOM 326 OG SER A 345 103.700 1.126 -2.877 1.00 0.00 O ATOM 0 HA SER A 345 102.385 2.946 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 345 101.794 1.807 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 345 102.405 0.584 -4.396 1.00 0.00 H new ATOM 0 HG SER A 345 104.582 1.247 -3.287 1.00 0.00 H new ATOM 332 N SER A 346 105.050 4.042 -4.212 1.00 0.00 N ATOM 333 CA SER A 346 105.725 5.114 -3.489 1.00 0.00 C ATOM 334 C SER A 346 105.143 6.470 -3.874 1.00 0.00 C ATOM 335 O SER A 346 105.420 7.480 -3.228 1.00 0.00 O ATOM 336 CB SER A 346 107.221 5.092 -3.803 1.00 0.00 C ATOM 337 OG SER A 346 107.778 3.865 -3.352 1.00 0.00 O ATOM 0 H SER A 346 105.612 3.601 -4.940 1.00 0.00 H new ATOM 0 HA SER A 346 105.575 4.957 -2.421 1.00 0.00 H new ATOM 0 HB2 SER A 346 107.381 5.205 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 346 107.719 5.931 -3.317 1.00 0.00 H new ATOM 0 HG SER A 346 108.737 3.847 -3.554 1.00 0.00 H new ATOM 343 N HIS A 347 104.336 6.485 -4.931 1.00 0.00 N ATOM 344 CA HIS A 347 103.722 7.726 -5.391 1.00 0.00 C ATOM 345 C HIS A 347 102.975 8.407 -4.246 1.00 0.00 C ATOM 346 O HIS A 347 103.118 8.025 -3.086 1.00 0.00 O ATOM 347 CB HIS A 347 102.755 7.434 -6.545 1.00 0.00 C ATOM 348 CG HIS A 347 103.536 7.174 -7.807 1.00 0.00 C ATOM 349 ND1 HIS A 347 103.065 7.543 -9.056 1.00 0.00 N ATOM 350 CD2 HIS A 347 104.760 6.590 -8.024 1.00 0.00 C ATOM 351 CE1 HIS A 347 103.992 7.182 -9.962 1.00 0.00 C ATOM 352 NE2 HIS A 347 105.045 6.596 -9.386 1.00 0.00 N ATOM 0 H HIS A 347 104.094 5.660 -5.480 1.00 0.00 H new ATOM 0 HA HIS A 347 104.508 8.395 -5.742 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.136 6.570 -6.304 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.081 8.278 -6.690 1.00 0.00 H new ATOM 0 HD2 HIS A 347 105.403 6.188 -7.255 1.00 0.00 H new ATOM 0 HE1 HIS A 347 103.896 7.346 -11.025 1.00 0.00 H new ATOM 0 HE2 HIS A 347 105.879 6.231 -9.846 1.00 0.00 H new ATOM 361 N TYR A 348 102.176 9.414 -4.583 1.00 0.00 N ATOM 362 CA TYR A 348 101.407 10.143 -3.580 1.00 0.00 C ATOM 363 C TYR A 348 100.354 11.011 -4.268 1.00 0.00 C ATOM 364 O TYR A 348 100.632 11.653 -5.280 1.00 0.00 O ATOM 365 CB TYR A 348 102.349 11.028 -2.735 1.00 0.00 C ATOM 366 CG TYR A 348 102.857 10.261 -1.531 1.00 0.00 C ATOM 367 CD1 TYR A 348 102.000 10.019 -0.451 1.00 0.00 C ATOM 368 CD2 TYR A 348 104.178 9.799 -1.492 1.00 0.00 C ATOM 369 CE1 TYR A 348 102.462 9.314 0.666 1.00 0.00 C ATOM 370 CE2 TYR A 348 104.641 9.094 -0.375 1.00 0.00 C ATOM 371 CZ TYR A 348 103.784 8.851 0.704 1.00 0.00 C ATOM 372 OH TYR A 348 104.239 8.156 1.805 1.00 0.00 O ATOM 0 H TYR A 348 102.044 9.743 -5.539 1.00 0.00 H new ATOM 0 HA TYR A 348 100.909 9.430 -2.923 1.00 0.00 H new ATOM 0 HB2 TYR A 348 103.190 11.360 -3.344 1.00 0.00 H new ATOM 0 HB3 TYR A 348 101.820 11.923 -2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 348 100.981 10.377 -0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 348 104.840 9.987 -2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 348 101.800 9.127 1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 348 105.660 8.737 -0.346 1.00 0.00 H new ATOM 0 HH TYR A 348 105.177 7.906 1.669 1.00 0.00 H new ATOM 382 N THR A 349 99.147 11.031 -3.708 1.00 0.00 N ATOM 383 CA THR A 349 98.055 11.828 -4.266 1.00 0.00 C ATOM 384 C THR A 349 97.222 12.425 -3.137 1.00 0.00 C ATOM 385 O THR A 349 97.366 12.034 -1.980 1.00 0.00 O ATOM 386 CB THR A 349 97.166 10.950 -5.151 1.00 0.00 C ATOM 387 OG1 THR A 349 96.109 11.737 -5.681 1.00 0.00 O ATOM 388 CG2 THR A 349 96.587 9.804 -4.322 1.00 0.00 C ATOM 0 H THR A 349 98.899 10.506 -2.869 1.00 0.00 H new ATOM 0 HA THR A 349 98.476 12.633 -4.868 1.00 0.00 H new ATOM 0 HB THR A 349 97.759 10.537 -5.967 1.00 0.00 H new ATOM 0 HG1 THR A 349 95.255 11.282 -5.530 1.00 0.00 H new ATOM 0 HG21 THR A 349 95.955 9.181 -4.954 1.00 0.00 H new ATOM 0 HG22 THR A 349 97.400 9.202 -3.916 1.00 0.00 H new ATOM 0 HG23 THR A 349 95.993 10.211 -3.504 1.00 0.00 H new ATOM 396 N LEU A 350 96.350 13.374 -3.477 1.00 0.00 N ATOM 397 CA LEU A 350 95.498 14.022 -2.474 1.00 0.00 C ATOM 398 C LEU A 350 94.053 14.076 -2.952 1.00 0.00 C ATOM 399 O LEU A 350 93.781 14.073 -4.152 1.00 0.00 O ATOM 400 CB LEU A 350 95.984 15.449 -2.208 1.00 0.00 C ATOM 401 CG LEU A 350 97.474 15.443 -1.837 1.00 0.00 C ATOM 402 CD1 LEU A 350 98.012 16.875 -1.883 1.00 0.00 C ATOM 403 CD2 LEU A 350 97.667 14.877 -0.424 1.00 0.00 C ATOM 0 H LEU A 350 96.214 13.711 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 350 95.554 13.436 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 350 95.825 16.066 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.403 15.894 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 350 98.014 14.818 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 350 99.070 16.875 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 350 97.888 17.278 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 350 97.462 17.493 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 350 98.728 14.878 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 350 97.124 15.494 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 350 97.286 13.856 -0.386 1.00 0.00 H new ATOM 415 N GLN A 351 93.127 14.135 -1.995 1.00 0.00 N ATOM 416 CA GLN A 351 91.699 14.201 -2.305 1.00 0.00 C ATOM 417 C GLN A 351 91.147 15.573 -1.935 1.00 0.00 C ATOM 418 O GLN A 351 91.403 16.080 -0.845 1.00 0.00 O ATOM 419 CB GLN A 351 90.948 13.118 -1.524 1.00 0.00 C ATOM 420 CG GLN A 351 89.440 13.236 -1.783 1.00 0.00 C ATOM 421 CD GLN A 351 88.818 14.282 -0.860 1.00 0.00 C ATOM 422 OE1 GLN A 351 88.032 15.117 -1.305 1.00 0.00 O ATOM 423 NE2 GLN A 351 89.126 14.284 0.409 1.00 0.00 N ATOM 0 H GLN A 351 93.341 14.138 -0.998 1.00 0.00 H new ATOM 0 HA GLN A 351 91.562 14.037 -3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 351 91.301 12.131 -1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.151 13.219 -0.458 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.264 13.510 -2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 351 88.961 12.270 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 351 89.778 13.591 0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 351 88.715 14.979 1.033 1.00 0.00 H new ATOM 432 N LEU A 352 90.392 16.173 -2.855 1.00 0.00 N ATOM 433 CA LEU A 352 89.808 17.497 -2.626 1.00 0.00 C ATOM 434 C LEU A 352 88.321 17.488 -2.971 1.00 0.00 C ATOM 435 O LEU A 352 87.646 18.511 -2.865 1.00 0.00 O ATOM 436 CB LEU A 352 90.538 18.546 -3.487 1.00 0.00 C ATOM 437 CG LEU A 352 90.932 17.938 -4.856 1.00 0.00 C ATOM 438 CD1 LEU A 352 90.912 19.025 -5.938 1.00 0.00 C ATOM 439 CD2 LEU A 352 92.344 17.333 -4.781 1.00 0.00 C ATOM 0 H LEU A 352 90.170 15.766 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 352 89.922 17.753 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 352 89.895 19.413 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 352 91.430 18.897 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 352 90.214 17.157 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 352 91.190 18.589 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 352 89.910 19.449 -6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 352 91.621 19.811 -5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 352 92.610 16.909 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 352 93.060 18.111 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 352 92.364 16.549 -4.024 1.00 0.00 H new ATOM 451 N SER A 353 87.815 16.330 -3.388 1.00 0.00 N ATOM 452 CA SER A 353 86.402 16.197 -3.752 1.00 0.00 C ATOM 453 C SER A 353 85.793 14.967 -3.091 1.00 0.00 C ATOM 454 O SER A 353 86.264 13.847 -3.289 1.00 0.00 O ATOM 455 CB SER A 353 86.273 16.075 -5.270 1.00 0.00 C ATOM 456 OG SER A 353 86.539 14.734 -5.657 1.00 0.00 O ATOM 0 H SER A 353 88.358 15.472 -3.483 1.00 0.00 H new ATOM 0 HA SER A 353 85.868 17.082 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 353 85.271 16.365 -5.586 1.00 0.00 H new ATOM 0 HB3 SER A 353 86.971 16.753 -5.762 1.00 0.00 H new ATOM 0 HG SER A 353 86.476 14.149 -4.873 1.00 0.00 H new ATOM 462 N SER A 354 84.741 15.182 -2.303 1.00 0.00 N ATOM 463 CA SER A 354 84.065 14.085 -1.609 1.00 0.00 C ATOM 464 C SER A 354 82.551 14.251 -1.701 1.00 0.00 C ATOM 465 O SER A 354 82.027 15.357 -1.564 1.00 0.00 O ATOM 466 CB SER A 354 84.487 14.063 -0.139 1.00 0.00 C ATOM 467 OG SER A 354 83.925 15.187 0.528 1.00 0.00 O ATOM 0 H SER A 354 84.338 16.103 -2.129 1.00 0.00 H new ATOM 0 HA SER A 354 84.348 13.146 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 354 84.152 13.140 0.334 1.00 0.00 H new ATOM 0 HB3 SER A 354 85.574 14.085 -0.060 1.00 0.00 H new ATOM 0 HG SER A 354 84.192 15.175 1.471 1.00 0.00 H new ATOM 473 N SER A 355 81.857 13.144 -1.934 1.00 0.00 N ATOM 474 CA SER A 355 80.401 13.166 -2.042 1.00 0.00 C ATOM 475 C SER A 355 79.897 11.823 -2.573 1.00 0.00 C ATOM 476 O SER A 355 80.661 10.864 -2.681 1.00 0.00 O ATOM 477 CB SER A 355 79.958 14.322 -2.957 1.00 0.00 C ATOM 478 OG SER A 355 79.551 15.420 -2.152 1.00 0.00 O ATOM 0 H SER A 355 82.276 12.222 -2.052 1.00 0.00 H new ATOM 0 HA SER A 355 79.969 13.328 -1.055 1.00 0.00 H new ATOM 0 HB2 SER A 355 80.777 14.619 -3.612 1.00 0.00 H new ATOM 0 HB3 SER A 355 79.137 14.001 -3.598 1.00 0.00 H new ATOM 0 HG SER A 355 80.342 15.897 -1.825 1.00 0.00 H new ATOM 484 N SER A 356 78.606 11.759 -2.898 1.00 0.00 N ATOM 485 CA SER A 356 78.008 10.525 -3.410 1.00 0.00 C ATOM 486 C SER A 356 77.001 10.833 -4.512 1.00 0.00 C ATOM 487 O SER A 356 75.863 10.364 -4.473 1.00 0.00 O ATOM 488 CB SER A 356 77.308 9.781 -2.275 1.00 0.00 C ATOM 489 OG SER A 356 76.846 8.525 -2.751 1.00 0.00 O ATOM 0 H SER A 356 77.957 12.542 -2.817 1.00 0.00 H new ATOM 0 HA SER A 356 78.801 9.902 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 356 77.995 9.636 -1.441 1.00 0.00 H new ATOM 0 HB3 SER A 356 76.472 10.371 -1.900 1.00 0.00 H new ATOM 0 HG SER A 356 76.229 8.666 -3.499 1.00 0.00 H new ATOM 495 N ASN A 357 77.430 11.618 -5.494 1.00 0.00 N ATOM 496 CA ASN A 357 76.564 11.983 -6.611 1.00 0.00 C ATOM 497 C ASN A 357 77.400 12.568 -7.748 1.00 0.00 C ATOM 498 O ASN A 357 78.152 13.522 -7.549 1.00 0.00 O ATOM 499 CB ASN A 357 75.523 13.012 -6.153 1.00 0.00 C ATOM 500 CG ASN A 357 74.398 12.322 -5.387 1.00 0.00 C ATOM 501 OD1 ASN A 357 73.960 11.237 -5.769 1.00 0.00 O ATOM 502 ND2 ASN A 357 73.902 12.890 -4.322 1.00 0.00 N ATOM 0 H ASN A 357 78.369 12.013 -5.540 1.00 0.00 H new ATOM 0 HA ASN A 357 76.051 11.089 -6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 357 75.997 13.762 -5.519 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.115 13.537 -7.017 1.00 0.00 H new ATOM 0 HD21 ASN A 357 73.150 12.435 -3.805 1.00 0.00 H new ATOM 0 HD22 ASN A 357 74.266 13.789 -4.007 1.00 0.00 H new ATOM 509 N TYR A 358 77.268 11.991 -8.938 1.00 0.00 N ATOM 510 CA TYR A 358 78.022 12.468 -10.092 1.00 0.00 C ATOM 511 C TYR A 358 77.625 13.899 -10.440 1.00 0.00 C ATOM 512 O TYR A 358 78.480 14.770 -10.593 1.00 0.00 O ATOM 513 CB TYR A 358 77.775 11.557 -11.295 1.00 0.00 C ATOM 514 CG TYR A 358 78.606 12.033 -12.463 1.00 0.00 C ATOM 515 CD1 TYR A 358 78.139 13.077 -13.272 1.00 0.00 C ATOM 516 CD2 TYR A 358 79.842 11.434 -12.737 1.00 0.00 C ATOM 517 CE1 TYR A 358 78.907 13.521 -14.354 1.00 0.00 C ATOM 518 CE2 TYR A 358 80.610 11.880 -13.820 1.00 0.00 C ATOM 519 CZ TYR A 358 80.143 12.923 -14.628 1.00 0.00 C ATOM 520 OH TYR A 358 80.902 13.361 -15.695 1.00 0.00 O ATOM 0 H TYR A 358 76.652 11.200 -9.128 1.00 0.00 H new ATOM 0 HA TYR A 358 79.082 12.451 -9.839 1.00 0.00 H new ATOM 0 HB2 TYR A 358 78.034 10.528 -11.045 1.00 0.00 H new ATOM 0 HB3 TYR A 358 76.718 11.564 -11.560 1.00 0.00 H new ATOM 0 HD1 TYR A 358 77.186 13.539 -13.060 1.00 0.00 H new ATOM 0 HD2 TYR A 358 80.203 10.629 -12.114 1.00 0.00 H new ATOM 0 HE1 TYR A 358 78.546 14.325 -14.978 1.00 0.00 H new ATOM 0 HE2 TYR A 358 81.563 11.419 -14.032 1.00 0.00 H new ATOM 0 HH TYR A 358 81.731 12.840 -15.743 1.00 0.00 H new ATOM 530 N ASP A 359 76.325 14.138 -10.563 1.00 0.00 N ATOM 531 CA ASP A 359 75.835 15.472 -10.892 1.00 0.00 C ATOM 532 C ASP A 359 76.371 16.494 -9.894 1.00 0.00 C ATOM 533 O ASP A 359 76.808 17.581 -10.274 1.00 0.00 O ATOM 534 CB ASP A 359 74.306 15.488 -10.872 1.00 0.00 C ATOM 535 CG ASP A 359 73.799 15.263 -9.452 1.00 0.00 C ATOM 536 OD1 ASP A 359 73.936 14.153 -8.963 1.00 0.00 O ATOM 537 OD2 ASP A 359 73.281 16.204 -8.872 1.00 0.00 O ATOM 0 H ASP A 359 75.597 13.434 -10.441 1.00 0.00 H new ATOM 0 HA ASP A 359 76.185 15.734 -11.891 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.939 16.442 -11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 359 73.918 14.713 -11.532 1.00 0.00 H new ATOM 542 N ASN A 360 76.332 16.137 -8.615 1.00 0.00 N ATOM 543 CA ASN A 360 76.814 17.029 -7.566 1.00 0.00 C ATOM 544 C ASN A 360 78.271 17.407 -7.811 1.00 0.00 C ATOM 545 O ASN A 360 78.665 18.557 -7.612 1.00 0.00 O ATOM 546 CB ASN A 360 76.685 16.352 -6.201 1.00 0.00 C ATOM 547 CG ASN A 360 77.007 17.351 -5.093 1.00 0.00 C ATOM 548 OD1 ASN A 360 77.882 17.099 -4.265 1.00 0.00 O ATOM 549 ND2 ASN A 360 76.348 18.475 -5.029 1.00 0.00 N ATOM 0 H ASN A 360 75.974 15.242 -8.281 1.00 0.00 H new ATOM 0 HA ASN A 360 76.207 17.934 -7.581 1.00 0.00 H new ATOM 0 HB2 ASN A 360 75.674 15.965 -6.071 1.00 0.00 H new ATOM 0 HB3 ASN A 360 77.362 15.500 -6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 360 76.557 19.148 -4.291 1.00 0.00 H new ATOM 0 HD22 ASN A 360 75.623 18.681 -5.717 1.00 0.00 H new ATOM 556 N LEU A 361 79.068 16.435 -8.246 1.00 0.00 N ATOM 557 CA LEU A 361 80.478 16.685 -8.517 1.00 0.00 C ATOM 558 C LEU A 361 80.629 17.743 -9.603 1.00 0.00 C ATOM 559 O LEU A 361 81.305 18.753 -9.411 1.00 0.00 O ATOM 560 CB LEU A 361 81.169 15.380 -8.953 1.00 0.00 C ATOM 561 CG LEU A 361 82.678 15.629 -9.237 1.00 0.00 C ATOM 562 CD1 LEU A 361 83.512 14.438 -8.736 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.918 15.799 -10.751 1.00 0.00 C ATOM 0 H LEU A 361 78.764 15.476 -8.417 1.00 0.00 H new ATOM 0 HA LEU A 361 80.950 17.051 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 361 81.060 14.626 -8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 361 80.685 14.987 -9.847 1.00 0.00 H new ATOM 0 HG LEU A 361 82.978 16.538 -8.715 1.00 0.00 H new ATOM 0 HD11 LEU A 361 84.567 14.621 -8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 361 83.365 14.317 -7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 361 83.196 13.530 -9.250 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.978 15.973 -10.934 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.603 14.896 -11.273 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.343 16.649 -11.117 1.00 0.00 H new ATOM 575 N ASN A 362 79.993 17.505 -10.745 1.00 0.00 N ATOM 576 CA ASN A 362 80.062 18.444 -11.858 1.00 0.00 C ATOM 577 C ASN A 362 79.572 19.822 -11.428 1.00 0.00 C ATOM 578 O ASN A 362 80.184 20.837 -11.753 1.00 0.00 O ATOM 579 CB ASN A 362 79.206 17.938 -13.021 1.00 0.00 C ATOM 580 CG ASN A 362 79.238 18.944 -14.166 1.00 0.00 C ATOM 581 OD1 ASN A 362 80.024 18.796 -15.102 1.00 0.00 O ATOM 582 ND2 ASN A 362 78.427 19.966 -14.147 1.00 0.00 N ATOM 0 H ASN A 362 79.427 16.675 -10.924 1.00 0.00 H new ATOM 0 HA ASN A 362 81.101 18.523 -12.178 1.00 0.00 H new ATOM 0 HB2 ASN A 362 79.577 16.972 -13.364 1.00 0.00 H new ATOM 0 HB3 ASN A 362 78.179 17.785 -12.688 1.00 0.00 H new ATOM 0 HD21 ASN A 362 78.443 20.644 -14.909 1.00 0.00 H new ATOM 0 HD22 ASN A 362 77.777 20.087 -13.371 1.00 0.00 H new ATOM 589 N GLY A 363 78.463 19.847 -10.695 1.00 0.00 N ATOM 590 CA GLY A 363 77.900 21.108 -10.228 1.00 0.00 C ATOM 591 C GLY A 363 78.881 21.839 -9.318 1.00 0.00 C ATOM 592 O GLY A 363 78.809 23.058 -9.164 1.00 0.00 O ATOM 0 H GLY A 363 77.941 19.017 -10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 363 77.651 21.738 -11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 363 76.971 20.919 -9.690 1.00 0.00 H new ATOM 596 N TRP A 364 79.801 21.085 -8.714 1.00 0.00 N ATOM 597 CA TRP A 364 80.799 21.668 -7.815 1.00 0.00 C ATOM 598 C TRP A 364 82.134 21.851 -8.531 1.00 0.00 C ATOM 599 O TRP A 364 82.590 22.976 -8.738 1.00 0.00 O ATOM 600 CB TRP A 364 80.999 20.760 -6.600 1.00 0.00 C ATOM 601 CG TRP A 364 81.954 21.411 -5.653 1.00 0.00 C ATOM 602 CD1 TRP A 364 81.717 22.562 -4.984 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.290 20.978 -5.263 1.00 0.00 C ATOM 604 NE1 TRP A 364 82.823 22.864 -4.207 1.00 0.00 N ATOM 605 CE2 TRP A 364 83.818 21.917 -4.346 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.087 19.872 -5.612 1.00 0.00 C ATOM 607 CZ2 TRP A 364 85.091 21.766 -3.797 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.369 19.717 -5.060 1.00 0.00 C ATOM 609 CH2 TRP A 364 85.869 20.663 -4.154 1.00 0.00 C ATOM 0 H TRP A 364 79.876 20.074 -8.830 1.00 0.00 H new ATOM 0 HA TRP A 364 80.436 22.644 -7.492 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.045 20.578 -6.106 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.384 19.790 -6.915 1.00 0.00 H new ATOM 0 HD1 TRP A 364 80.813 23.150 -5.046 1.00 0.00 H new ATOM 0 HE1 TRP A 364 82.894 23.685 -3.606 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.710 19.138 -6.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 85.473 22.498 -3.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 85.973 18.865 -5.335 1.00 0.00 H new ATOM 0 HH2 TRP A 364 86.856 20.539 -3.732 1.00 0.00 H new ATOM 620 N ALA A 365 82.760 20.738 -8.903 1.00 0.00 N ATOM 621 CA ALA A 365 84.050 20.779 -9.592 1.00 0.00 C ATOM 622 C ALA A 365 84.093 21.918 -10.610 1.00 0.00 C ATOM 623 O ALA A 365 85.101 22.612 -10.736 1.00 0.00 O ATOM 624 CB ALA A 365 84.301 19.449 -10.304 1.00 0.00 C ATOM 0 H ALA A 365 82.398 19.798 -8.740 1.00 0.00 H new ATOM 0 HA ALA A 365 84.827 20.951 -8.847 1.00 0.00 H new ATOM 0 HB1 ALA A 365 85.263 19.486 -10.815 1.00 0.00 H new ATOM 0 HB2 ALA A 365 84.309 18.641 -9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.510 19.271 -11.032 1.00 0.00 H new ATOM 630 N LYS A 366 82.994 22.102 -11.333 1.00 0.00 N ATOM 631 CA LYS A 366 82.922 23.161 -12.336 1.00 0.00 C ATOM 632 C LYS A 366 83.048 24.533 -11.680 1.00 0.00 C ATOM 633 O LYS A 366 83.804 25.386 -12.147 1.00 0.00 O ATOM 634 CB LYS A 366 81.593 23.078 -13.097 1.00 0.00 C ATOM 635 CG LYS A 366 81.573 21.831 -14.004 1.00 0.00 C ATOM 636 CD LYS A 366 82.211 22.152 -15.362 1.00 0.00 C ATOM 637 CE LYS A 366 82.159 20.911 -16.256 1.00 0.00 C ATOM 638 NZ LYS A 366 82.938 21.164 -17.502 1.00 0.00 N ATOM 0 H LYS A 366 82.148 21.539 -11.246 1.00 0.00 H new ATOM 0 HA LYS A 366 83.748 23.026 -13.034 1.00 0.00 H new ATOM 0 HB2 LYS A 366 80.764 23.036 -12.391 1.00 0.00 H new ATOM 0 HB3 LYS A 366 81.454 23.976 -13.699 1.00 0.00 H new ATOM 0 HG2 LYS A 366 82.113 21.015 -13.524 1.00 0.00 H new ATOM 0 HG3 LYS A 366 80.547 21.493 -14.147 1.00 0.00 H new ATOM 0 HD2 LYS A 366 81.683 22.978 -15.838 1.00 0.00 H new ATOM 0 HD3 LYS A 366 83.244 22.471 -15.224 1.00 0.00 H new ATOM 0 HE2 LYS A 366 82.568 20.051 -15.727 1.00 0.00 H new ATOM 0 HE3 LYS A 366 81.125 20.671 -16.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 82.903 20.321 -18.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 82.528 21.974 -18.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 83.927 21.373 -17.257 1.00 0.00 H new ATOM 652 N LYS A 367 82.303 24.742 -10.599 1.00 0.00 N ATOM 653 CA LYS A 367 82.343 26.017 -9.892 1.00 0.00 C ATOM 654 C LYS A 367 83.775 26.364 -9.494 1.00 0.00 C ATOM 655 O LYS A 367 84.350 27.334 -9.990 1.00 0.00 O ATOM 656 CB LYS A 367 81.466 25.952 -8.640 1.00 0.00 C ATOM 657 CG LYS A 367 79.991 25.924 -9.049 1.00 0.00 C ATOM 658 CD LYS A 367 79.122 25.724 -7.806 1.00 0.00 C ATOM 659 CE LYS A 367 77.663 26.036 -8.147 1.00 0.00 C ATOM 660 NZ LYS A 367 77.555 27.439 -8.638 1.00 0.00 N ATOM 0 H LYS A 367 81.670 24.051 -10.196 1.00 0.00 H new ATOM 0 HA LYS A 367 81.964 26.791 -10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 367 81.710 25.063 -8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 367 81.661 26.814 -8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 367 79.723 26.856 -9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 367 79.815 25.119 -9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 367 79.211 24.698 -7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 367 79.465 26.374 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 367 77.301 25.345 -8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 367 77.035 25.899 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 76.607 27.809 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 78.271 28.028 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 77.712 27.460 -9.666 1.00 0.00 H new ATOM 674 N GLU A 368 84.346 25.566 -8.597 1.00 0.00 N ATOM 675 CA GLU A 368 85.711 25.798 -8.140 1.00 0.00 C ATOM 676 C GLU A 368 86.677 25.807 -9.321 1.00 0.00 C ATOM 677 O GLU A 368 87.795 26.309 -9.216 1.00 0.00 O ATOM 678 CB GLU A 368 86.122 24.708 -7.150 1.00 0.00 C ATOM 679 CG GLU A 368 85.145 24.692 -5.973 1.00 0.00 C ATOM 680 CD GLU A 368 85.241 26.000 -5.195 1.00 0.00 C ATOM 681 OE1 GLU A 368 86.351 26.471 -5.005 1.00 0.00 O ATOM 682 OE2 GLU A 368 84.206 26.510 -4.801 1.00 0.00 O ATOM 0 H GLU A 368 83.888 24.758 -8.175 1.00 0.00 H new ATOM 0 HA GLU A 368 85.749 26.769 -7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 368 86.128 23.737 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 368 87.135 24.890 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 368 84.127 24.550 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 368 85.369 23.852 -5.316 1.00 0.00 H new ATOM 689 N ASN A 369 86.236 25.248 -10.444 1.00 0.00 N ATOM 690 CA ASN A 369 87.069 25.198 -11.639 1.00 0.00 C ATOM 691 C ASN A 369 88.389 24.490 -11.346 1.00 0.00 C ATOM 692 O ASN A 369 89.465 25.036 -11.592 1.00 0.00 O ATOM 693 CB ASN A 369 87.350 26.616 -12.143 1.00 0.00 C ATOM 694 CG ASN A 369 88.094 26.560 -13.473 1.00 0.00 C ATOM 695 OD1 ASN A 369 87.517 26.182 -14.493 1.00 0.00 O ATOM 696 ND2 ASN A 369 89.348 26.917 -13.524 1.00 0.00 N ATOM 0 H ASN A 369 85.313 24.826 -10.551 1.00 0.00 H new ATOM 0 HA ASN A 369 86.533 24.640 -12.406 1.00 0.00 H new ATOM 0 HB2 ASN A 369 86.413 27.160 -12.264 1.00 0.00 H new ATOM 0 HB3 ASN A 369 87.943 27.161 -11.408 1.00 0.00 H new ATOM 0 HD21 ASN A 369 89.852 26.883 -14.410 1.00 0.00 H new ATOM 0 HD22 ASN A 369 89.824 27.230 -12.678 1.00 0.00 H new ATOM 703 N LEU A 370 88.300 23.272 -10.821 1.00 0.00 N ATOM 704 CA LEU A 370 89.495 22.500 -10.501 1.00 0.00 C ATOM 705 C LEU A 370 90.297 22.220 -11.770 1.00 0.00 C ATOM 706 O LEU A 370 89.811 21.558 -12.687 1.00 0.00 O ATOM 707 CB LEU A 370 89.107 21.174 -9.837 1.00 0.00 C ATOM 708 CG LEU A 370 88.087 21.426 -8.720 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.637 20.085 -8.131 1.00 0.00 C ATOM 710 CD2 LEU A 370 88.729 22.280 -7.618 1.00 0.00 C ATOM 0 H LEU A 370 87.420 22.801 -10.610 1.00 0.00 H new ATOM 0 HA LEU A 370 90.107 23.080 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.686 20.496 -10.579 1.00 0.00 H new ATOM 0 HB3 LEU A 370 89.994 20.689 -9.429 1.00 0.00 H new ATOM 0 HG LEU A 370 87.225 21.953 -9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 370 86.912 20.262 -7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 370 87.179 19.480 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.500 19.558 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 370 88.002 22.458 -6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.592 21.756 -7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 370 89.049 23.234 -8.037 1.00 0.00 H new ATOM 722 N LYS A 371 91.525 22.729 -11.816 1.00 0.00 N ATOM 723 CA LYS A 371 92.385 22.529 -12.980 1.00 0.00 C ATOM 724 C LYS A 371 93.095 21.182 -12.900 1.00 0.00 C ATOM 725 O LYS A 371 93.309 20.644 -11.814 1.00 0.00 O ATOM 726 CB LYS A 371 93.424 23.652 -13.057 1.00 0.00 C ATOM 727 CG LYS A 371 92.745 24.951 -13.502 1.00 0.00 C ATOM 728 CD LYS A 371 93.661 26.140 -13.199 1.00 0.00 C ATOM 729 CE LYS A 371 95.021 25.923 -13.865 1.00 0.00 C ATOM 730 NZ LYS A 371 94.822 25.411 -15.250 1.00 0.00 N ATOM 0 H LYS A 371 91.945 23.279 -11.067 1.00 0.00 H new ATOM 0 HA LYS A 371 91.763 22.544 -13.875 1.00 0.00 H new ATOM 0 HB2 LYS A 371 93.896 23.791 -12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 371 94.213 23.383 -13.759 1.00 0.00 H new ATOM 0 HG2 LYS A 371 92.525 24.911 -14.569 1.00 0.00 H new ATOM 0 HG3 LYS A 371 91.793 25.071 -12.985 1.00 0.00 H new ATOM 0 HD2 LYS A 371 93.209 27.062 -13.564 1.00 0.00 H new ATOM 0 HD3 LYS A 371 93.786 26.251 -12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 371 95.579 26.859 -13.889 1.00 0.00 H new ATOM 0 HE3 LYS A 371 95.612 25.214 -13.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 95.608 25.728 -15.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 94.794 24.371 -15.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 93.925 25.776 -15.630 1.00 0.00 H new ATOM 744 N ASN A 372 93.460 20.642 -14.060 1.00 0.00 N ATOM 745 CA ASN A 372 94.147 19.356 -14.112 1.00 0.00 C ATOM 746 C ASN A 372 93.445 18.336 -13.224 1.00 0.00 C ATOM 747 O ASN A 372 93.709 18.258 -12.023 1.00 0.00 O ATOM 748 CB ASN A 372 95.597 19.522 -13.655 1.00 0.00 C ATOM 749 CG ASN A 372 96.398 18.270 -14.000 1.00 0.00 C ATOM 750 OD1 ASN A 372 97.326 18.329 -14.807 1.00 0.00 O ATOM 751 ND2 ASN A 372 96.094 17.135 -13.432 1.00 0.00 N ATOM 0 H ASN A 372 93.293 21.072 -14.970 1.00 0.00 H new ATOM 0 HA ASN A 372 94.128 18.996 -15.141 1.00 0.00 H new ATOM 0 HB2 ASN A 372 96.042 20.393 -14.137 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.630 19.701 -12.580 1.00 0.00 H new ATOM 0 HD21 ASN A 372 96.626 16.294 -13.656 1.00 0.00 H new ATOM 0 HD22 ASN A 372 95.325 17.089 -12.764 1.00 0.00 H new ATOM 758 N TYR A 373 92.550 17.555 -13.820 1.00 0.00 N ATOM 759 CA TYR A 373 91.817 16.543 -13.069 1.00 0.00 C ATOM 760 C TYR A 373 91.064 15.613 -14.014 1.00 0.00 C ATOM 761 O TYR A 373 90.867 15.929 -15.187 1.00 0.00 O ATOM 762 CB TYR A 373 90.831 17.215 -12.109 1.00 0.00 C ATOM 763 CG TYR A 373 89.716 17.868 -12.896 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.942 19.081 -13.556 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.457 17.257 -12.967 1.00 0.00 C ATOM 766 CE1 TYR A 373 88.912 19.685 -14.286 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.427 17.861 -13.697 1.00 0.00 C ATOM 768 CZ TYR A 373 87.653 19.075 -14.356 1.00 0.00 C ATOM 769 OH TYR A 373 86.638 19.669 -15.076 1.00 0.00 O ATOM 0 H TYR A 373 92.316 17.602 -14.812 1.00 0.00 H new ATOM 0 HA TYR A 373 92.533 15.953 -12.496 1.00 0.00 H new ATOM 0 HB2 TYR A 373 90.419 16.477 -11.420 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.348 17.961 -11.505 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.913 19.552 -13.502 1.00 0.00 H new ATOM 0 HD2 TYR A 373 88.282 16.320 -12.459 1.00 0.00 H new ATOM 0 HE1 TYR A 373 89.088 20.621 -14.795 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.457 17.390 -13.752 1.00 0.00 H new ATOM 0 HH TYR A 373 85.831 19.115 -15.023 1.00 0.00 H new ATOM 779 N VAL A 374 90.649 14.462 -13.493 1.00 0.00 N ATOM 780 CA VAL A 374 89.917 13.479 -14.289 1.00 0.00 C ATOM 781 C VAL A 374 88.787 12.865 -13.468 1.00 0.00 C ATOM 782 O VAL A 374 89.006 12.373 -12.362 1.00 0.00 O ATOM 783 CB VAL A 374 90.873 12.376 -14.753 1.00 0.00 C ATOM 784 CG1 VAL A 374 91.959 12.985 -15.642 1.00 0.00 C ATOM 785 CG2 VAL A 374 91.523 11.710 -13.535 1.00 0.00 C ATOM 0 H VAL A 374 90.806 14.186 -12.524 1.00 0.00 H new ATOM 0 HA VAL A 374 89.489 13.980 -15.157 1.00 0.00 H new ATOM 0 HB VAL A 374 90.316 11.629 -15.318 1.00 0.00 H new ATOM 0 HG11 VAL A 374 92.640 12.201 -15.973 1.00 0.00 H new ATOM 0 HG12 VAL A 374 91.497 13.455 -16.510 1.00 0.00 H new ATOM 0 HG13 VAL A 374 92.514 13.734 -15.077 1.00 0.00 H new ATOM 0 HG21 VAL A 374 92.203 10.926 -13.869 1.00 0.00 H new ATOM 0 HG22 VAL A 374 92.080 12.455 -12.967 1.00 0.00 H new ATOM 0 HG23 VAL A 374 90.749 11.275 -12.902 1.00 0.00 H new ATOM 795 N VAL A 375 87.576 12.905 -14.017 1.00 0.00 N ATOM 796 CA VAL A 375 86.413 12.351 -13.328 1.00 0.00 C ATOM 797 C VAL A 375 86.306 10.851 -13.586 1.00 0.00 C ATOM 798 O VAL A 375 86.164 10.420 -14.730 1.00 0.00 O ATOM 799 CB VAL A 375 85.138 13.045 -13.816 1.00 0.00 C ATOM 800 CG1 VAL A 375 83.988 12.745 -12.852 1.00 0.00 C ATOM 801 CG2 VAL A 375 85.370 14.558 -13.880 1.00 0.00 C ATOM 0 H VAL A 375 87.374 13.312 -14.930 1.00 0.00 H new ATOM 0 HA VAL A 375 86.532 12.519 -12.258 1.00 0.00 H new ATOM 0 HB VAL A 375 84.883 12.674 -14.809 1.00 0.00 H new ATOM 0 HG11 VAL A 375 83.082 13.240 -13.201 1.00 0.00 H new ATOM 0 HG12 VAL A 375 83.820 11.669 -12.809 1.00 0.00 H new ATOM 0 HG13 VAL A 375 84.242 13.112 -11.858 1.00 0.00 H new ATOM 0 HG21 VAL A 375 84.462 15.051 -14.227 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.627 14.929 -12.888 1.00 0.00 H new ATOM 0 HG23 VAL A 375 86.186 14.772 -14.570 1.00 0.00 H new ATOM 811 N TYR A 376 86.376 10.058 -12.517 1.00 0.00 N ATOM 812 CA TYR A 376 86.286 8.603 -12.641 1.00 0.00 C ATOM 813 C TYR A 376 85.573 8.003 -11.432 1.00 0.00 C ATOM 814 O TYR A 376 85.489 8.629 -10.376 1.00 0.00 O ATOM 815 CB TYR A 376 87.691 8.000 -12.768 1.00 0.00 C ATOM 816 CG TYR A 376 88.415 8.090 -11.441 1.00 0.00 C ATOM 817 CD1 TYR A 376 88.781 9.341 -10.930 1.00 0.00 C ATOM 818 CD2 TYR A 376 88.718 6.925 -10.722 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.448 9.428 -9.702 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.385 7.013 -9.495 1.00 0.00 C ATOM 821 CZ TYR A 376 89.750 8.264 -8.984 1.00 0.00 C ATOM 822 OH TYR A 376 90.407 8.351 -7.774 1.00 0.00 O ATOM 0 H TYR A 376 86.494 10.395 -11.562 1.00 0.00 H new ATOM 0 HA TYR A 376 85.711 8.368 -13.536 1.00 0.00 H new ATOM 0 HB2 TYR A 376 87.622 6.959 -13.084 1.00 0.00 H new ATOM 0 HB3 TYR A 376 88.255 8.529 -13.536 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.549 10.239 -11.483 1.00 0.00 H new ATOM 0 HD2 TYR A 376 88.436 5.959 -11.115 1.00 0.00 H new ATOM 0 HE1 TYR A 376 89.730 10.393 -9.308 1.00 0.00 H new ATOM 0 HE2 TYR A 376 89.618 6.115 -8.942 1.00 0.00 H new ATOM 0 HH TYR A 376 90.538 7.452 -7.407 1.00 0.00 H new ATOM 832 N GLU A 377 85.063 6.785 -11.597 1.00 0.00 N ATOM 833 CA GLU A 377 84.356 6.104 -10.516 1.00 0.00 C ATOM 834 C GLU A 377 85.335 5.371 -9.605 1.00 0.00 C ATOM 835 O GLU A 377 86.478 5.114 -9.981 1.00 0.00 O ATOM 836 CB GLU A 377 83.359 5.102 -11.101 1.00 0.00 C ATOM 837 CG GLU A 377 84.058 4.247 -12.160 1.00 0.00 C ATOM 838 CD GLU A 377 83.196 3.038 -12.507 1.00 0.00 C ATOM 839 OE1 GLU A 377 82.850 2.301 -11.599 1.00 0.00 O ATOM 840 OE2 GLU A 377 82.895 2.867 -13.677 1.00 0.00 O ATOM 0 H GLU A 377 85.126 6.252 -12.464 1.00 0.00 H new ATOM 0 HA GLU A 377 83.825 6.853 -9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 377 82.959 4.466 -10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 377 82.514 5.629 -11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 377 84.243 4.841 -13.055 1.00 0.00 H new ATOM 0 HG3 GLU A 377 85.029 3.918 -11.790 1.00 0.00 H new ATOM 847 N THR A 378 84.873 5.033 -8.405 1.00 0.00 N ATOM 848 CA THR A 378 85.707 4.322 -7.440 1.00 0.00 C ATOM 849 C THR A 378 84.864 3.853 -6.259 1.00 0.00 C ATOM 850 O THR A 378 83.635 3.864 -6.320 1.00 0.00 O ATOM 851 CB THR A 378 86.840 5.226 -6.944 1.00 0.00 C ATOM 852 OG1 THR A 378 87.571 4.550 -5.930 1.00 0.00 O ATOM 853 CG2 THR A 378 86.268 6.528 -6.375 1.00 0.00 C ATOM 0 H THR A 378 83.929 5.239 -8.078 1.00 0.00 H new ATOM 0 HA THR A 378 86.141 3.453 -7.934 1.00 0.00 H new ATOM 0 HB THR A 378 87.498 5.463 -7.780 1.00 0.00 H new ATOM 0 HG1 THR A 378 87.453 5.016 -5.076 1.00 0.00 H new ATOM 0 HG21 THR A 378 87.083 7.162 -6.026 1.00 0.00 H new ATOM 0 HG22 THR A 378 85.710 7.050 -7.152 1.00 0.00 H new ATOM 0 HG23 THR A 378 85.603 6.300 -5.542 1.00 0.00 H new ATOM 861 N THR A 379 85.533 3.445 -5.180 1.00 0.00 N ATOM 862 CA THR A 379 84.838 2.977 -3.978 1.00 0.00 C ATOM 863 C THR A 379 85.049 3.946 -2.821 1.00 0.00 C ATOM 864 O THR A 379 86.028 4.691 -2.791 1.00 0.00 O ATOM 865 CB THR A 379 85.361 1.596 -3.580 1.00 0.00 C ATOM 866 OG1 THR A 379 86.636 1.732 -2.968 1.00 0.00 O ATOM 867 CG2 THR A 379 85.481 0.713 -4.823 1.00 0.00 C ATOM 0 H THR A 379 86.551 3.429 -5.112 1.00 0.00 H new ATOM 0 HA THR A 379 83.772 2.919 -4.200 1.00 0.00 H new ATOM 0 HB THR A 379 84.667 1.135 -2.877 1.00 0.00 H new ATOM 0 HG1 THR A 379 86.971 0.848 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 379 85.854 -0.270 -4.536 1.00 0.00 H new ATOM 0 HG22 THR A 379 84.502 0.608 -5.290 1.00 0.00 H new ATOM 0 HG23 THR A 379 86.173 1.171 -5.530 1.00 0.00 H new ATOM 875 N ARG A 380 84.120 3.928 -1.873 1.00 0.00 N ATOM 876 CA ARG A 380 84.204 4.805 -0.713 1.00 0.00 C ATOM 877 C ARG A 380 83.125 4.444 0.303 1.00 0.00 C ATOM 878 O ARG A 380 82.003 4.943 0.232 1.00 0.00 O ATOM 879 CB ARG A 380 84.033 6.263 -1.147 1.00 0.00 C ATOM 880 CG ARG A 380 84.513 7.189 -0.027 1.00 0.00 C ATOM 881 CD ARG A 380 84.008 8.610 -0.284 1.00 0.00 C ATOM 882 NE ARG A 380 82.585 8.702 0.018 1.00 0.00 N ATOM 883 CZ ARG A 380 81.950 9.870 -0.010 1.00 0.00 C ATOM 884 NH1 ARG A 380 82.602 10.958 -0.316 1.00 0.00 N ATOM 885 NH2 ARG A 380 80.676 9.927 0.265 1.00 0.00 N ATOM 0 H ARG A 380 83.303 3.318 -1.885 1.00 0.00 H new ATOM 0 HA ARG A 380 85.183 4.678 -0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 380 84.601 6.451 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 380 82.987 6.465 -1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 380 84.148 6.831 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 380 85.602 7.183 0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 380 84.564 9.318 0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 380 84.185 8.884 -1.324 1.00 0.00 H new ATOM 0 HE ARG A 380 82.067 7.856 0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 380 83.598 10.912 -0.533 1.00 0.00 H new ATOM 0 HH12 ARG A 380 82.116 11.855 -0.338 1.00 0.00 H new ATOM 0 HH21 ARG A 380 80.167 9.075 0.502 1.00 0.00 H new ATOM 0 HH22 ARG A 380 80.189 10.823 0.243 1.00 0.00 H new ATOM 899 N ASN A 381 83.470 3.570 1.243 1.00 0.00 N ATOM 900 CA ASN A 381 82.519 3.146 2.267 1.00 0.00 C ATOM 901 C ASN A 381 81.300 2.492 1.625 1.00 0.00 C ATOM 902 O ASN A 381 80.195 3.032 1.676 1.00 0.00 O ATOM 903 CB ASN A 381 82.074 4.348 3.103 1.00 0.00 C ATOM 904 CG ASN A 381 81.317 3.869 4.338 1.00 0.00 C ATOM 905 OD1 ASN A 381 80.095 3.996 4.405 1.00 0.00 O ATOM 906 ND2 ASN A 381 81.974 3.322 5.323 1.00 0.00 N ATOM 0 H ASN A 381 84.394 3.144 1.318 1.00 0.00 H new ATOM 0 HA ASN A 381 83.012 2.420 2.913 1.00 0.00 H new ATOM 0 HB2 ASN A 381 82.942 4.935 3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 381 81.438 5.002 2.506 1.00 0.00 H new ATOM 0 HD21 ASN A 381 81.475 2.998 6.151 1.00 0.00 H new ATOM 0 HD22 ASN A 381 82.987 3.218 5.265 1.00 0.00 H new ATOM 913 N GLY A 382 81.510 1.320 1.027 1.00 0.00 N ATOM 914 CA GLY A 382 80.425 0.583 0.377 1.00 0.00 C ATOM 915 C GLY A 382 79.452 1.528 -0.325 1.00 0.00 C ATOM 916 O GLY A 382 78.270 1.218 -0.474 1.00 0.00 O ATOM 0 H GLY A 382 82.419 0.860 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 382 80.841 -0.117 -0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 382 79.889 -0.008 1.119 1.00 0.00 H new ATOM 920 N GLN A 383 79.958 2.686 -0.746 1.00 0.00 N ATOM 921 CA GLN A 383 79.133 3.686 -1.426 1.00 0.00 C ATOM 922 C GLN A 383 79.902 4.299 -2.602 1.00 0.00 C ATOM 923 O GLN A 383 80.631 5.274 -2.422 1.00 0.00 O ATOM 924 CB GLN A 383 78.759 4.796 -0.438 1.00 0.00 C ATOM 925 CG GLN A 383 77.691 4.284 0.531 1.00 0.00 C ATOM 926 CD GLN A 383 76.340 4.206 -0.173 1.00 0.00 C ATOM 927 OE1 GLN A 383 75.343 3.821 0.438 1.00 0.00 O ATOM 928 NE2 GLN A 383 76.246 4.550 -1.429 1.00 0.00 N ATOM 0 H GLN A 383 80.935 2.956 -0.629 1.00 0.00 H new ATOM 0 HA GLN A 383 78.232 3.202 -1.802 1.00 0.00 H new ATOM 0 HB2 GLN A 383 79.642 5.117 0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 383 78.387 5.667 -0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 383 77.971 3.300 0.907 1.00 0.00 H new ATOM 0 HG3 GLN A 383 77.623 4.947 1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 383 77.073 4.869 -1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 383 75.346 4.500 -1.905 1.00 0.00 H new ATOM 937 N PRO A 384 79.769 3.757 -3.793 1.00 0.00 N ATOM 938 CA PRO A 384 80.486 4.287 -4.990 1.00 0.00 C ATOM 939 C PRO A 384 80.428 5.811 -5.071 1.00 0.00 C ATOM 940 O PRO A 384 79.391 6.419 -4.805 1.00 0.00 O ATOM 941 CB PRO A 384 79.753 3.629 -6.162 1.00 0.00 C ATOM 942 CG PRO A 384 79.267 2.327 -5.613 1.00 0.00 C ATOM 943 CD PRO A 384 78.929 2.592 -4.142 1.00 0.00 C ATOM 0 HA PRO A 384 81.552 4.059 -4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 384 78.925 4.247 -6.510 1.00 0.00 H new ATOM 0 HB3 PRO A 384 80.418 3.478 -7.012 1.00 0.00 H new ATOM 0 HG2 PRO A 384 78.391 1.976 -6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 384 80.031 1.555 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 384 77.869 2.808 -4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 384 79.160 1.730 -3.516 1.00 0.00 H new ATOM 951 N TRP A 385 81.553 6.420 -5.436 1.00 0.00 N ATOM 952 CA TRP A 385 81.635 7.874 -5.547 1.00 0.00 C ATOM 953 C TRP A 385 82.712 8.257 -6.566 1.00 0.00 C ATOM 954 O TRP A 385 83.665 7.513 -6.787 1.00 0.00 O ATOM 955 CB TRP A 385 81.944 8.476 -4.152 1.00 0.00 C ATOM 956 CG TRP A 385 82.805 9.703 -4.265 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.122 9.751 -3.966 1.00 0.00 C ATOM 958 CD2 TRP A 385 82.437 11.040 -4.715 1.00 0.00 C ATOM 959 NE1 TRP A 385 84.587 11.034 -4.198 1.00 0.00 N ATOM 960 CE2 TRP A 385 83.586 11.864 -4.661 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.230 11.611 -5.157 1.00 0.00 C ATOM 962 CZ2 TRP A 385 83.538 13.209 -5.035 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.179 12.963 -5.533 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.332 13.761 -5.472 1.00 0.00 C ATOM 0 H TRP A 385 82.419 5.930 -5.660 1.00 0.00 H new ATOM 0 HA TRP A 385 80.684 8.275 -5.896 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.011 8.729 -3.648 1.00 0.00 H new ATOM 0 HB3 TRP A 385 82.448 7.731 -3.536 1.00 0.00 H new ATOM 0 HD1 TRP A 385 84.715 8.924 -3.605 1.00 0.00 H new ATOM 0 HE1 TRP A 385 85.551 11.330 -4.046 1.00 0.00 H new ATOM 0 HE3 TRP A 385 80.337 11.006 -5.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.428 13.818 -4.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.247 13.391 -5.871 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.287 14.800 -5.763 1.00 0.00 H new ATOM 975 N TYR A 386 82.546 9.428 -7.179 1.00 0.00 N ATOM 976 CA TYR A 386 83.502 9.916 -8.173 1.00 0.00 C ATOM 977 C TYR A 386 84.469 10.914 -7.540 1.00 0.00 C ATOM 978 O TYR A 386 84.222 12.120 -7.542 1.00 0.00 O ATOM 979 CB TYR A 386 82.752 10.593 -9.321 1.00 0.00 C ATOM 980 CG TYR A 386 81.912 9.568 -10.048 1.00 0.00 C ATOM 981 CD1 TYR A 386 80.676 9.176 -9.519 1.00 0.00 C ATOM 982 CD2 TYR A 386 82.369 9.011 -11.248 1.00 0.00 C ATOM 983 CE1 TYR A 386 79.898 8.225 -10.191 1.00 0.00 C ATOM 984 CE2 TYR A 386 81.590 8.061 -11.919 1.00 0.00 C ATOM 985 CZ TYR A 386 80.355 7.668 -11.391 1.00 0.00 C ATOM 986 OH TYR A 386 79.587 6.731 -12.053 1.00 0.00 O ATOM 0 H TYR A 386 81.761 10.055 -7.006 1.00 0.00 H new ATOM 0 HA TYR A 386 84.070 9.068 -8.555 1.00 0.00 H new ATOM 0 HB2 TYR A 386 82.118 11.391 -8.935 1.00 0.00 H new ATOM 0 HB3 TYR A 386 83.460 11.054 -10.010 1.00 0.00 H new ATOM 0 HD1 TYR A 386 80.323 9.607 -8.594 1.00 0.00 H new ATOM 0 HD2 TYR A 386 83.322 9.314 -11.656 1.00 0.00 H new ATOM 0 HE1 TYR A 386 78.945 7.921 -9.783 1.00 0.00 H new ATOM 0 HE2 TYR A 386 81.942 7.631 -12.845 1.00 0.00 H new ATOM 0 HH TYR A 386 80.049 6.447 -12.869 1.00 0.00 H new ATOM 996 N VAL A 387 85.572 10.402 -6.998 1.00 0.00 N ATOM 997 CA VAL A 387 86.573 11.252 -6.365 1.00 0.00 C ATOM 998 C VAL A 387 87.499 11.840 -7.422 1.00 0.00 C ATOM 999 O VAL A 387 87.562 11.343 -8.545 1.00 0.00 O ATOM 1000 CB VAL A 387 87.386 10.435 -5.354 1.00 0.00 C ATOM 1001 CG1 VAL A 387 88.264 9.421 -6.095 1.00 0.00 C ATOM 1002 CG2 VAL A 387 88.278 11.368 -4.530 1.00 0.00 C ATOM 0 H VAL A 387 85.793 9.406 -6.985 1.00 0.00 H new ATOM 0 HA VAL A 387 86.070 12.066 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 387 86.700 9.908 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 387 88.840 8.842 -5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 387 87.633 8.750 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 387 88.945 9.949 -6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 387 88.853 10.782 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 387 88.959 11.900 -5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 387 87.657 12.087 -3.996 1.00 0.00 H new ATOM 1012 N LEU A 388 88.214 12.902 -7.057 1.00 0.00 N ATOM 1013 CA LEU A 388 89.137 13.560 -7.982 1.00 0.00 C ATOM 1014 C LEU A 388 90.539 13.624 -7.385 1.00 0.00 C ATOM 1015 O LEU A 388 90.707 13.665 -6.167 1.00 0.00 O ATOM 1016 CB LEU A 388 88.649 14.979 -8.277 1.00 0.00 C ATOM 1017 CG LEU A 388 87.211 14.943 -8.809 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.705 16.379 -8.989 1.00 0.00 C ATOM 1019 CD2 LEU A 388 87.166 14.211 -10.161 1.00 0.00 C ATOM 0 H LEU A 388 88.173 13.325 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 388 89.171 12.982 -8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.695 15.583 -7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.304 15.452 -9.009 1.00 0.00 H new ATOM 0 HG LEU A 388 86.578 14.413 -8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 388 85.683 16.360 -9.367 1.00 0.00 H new ATOM 0 HD12 LEU A 388 86.727 16.896 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 388 87.345 16.904 -9.699 1.00 0.00 H new ATOM 0 HD21 LEU A 388 86.141 14.191 -10.530 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.800 14.732 -10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 388 87.526 13.190 -10.034 1.00 0.00 H new ATOM 1031 N VAL A 389 91.539 13.632 -8.260 1.00 0.00 N ATOM 1032 CA VAL A 389 92.932 13.690 -7.824 1.00 0.00 C ATOM 1033 C VAL A 389 93.805 14.298 -8.916 1.00 0.00 C ATOM 1034 O VAL A 389 93.572 14.077 -10.104 1.00 0.00 O ATOM 1035 CB VAL A 389 93.437 12.282 -7.495 1.00 0.00 C ATOM 1036 CG1 VAL A 389 92.704 11.740 -6.264 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.177 11.360 -8.689 1.00 0.00 C ATOM 0 H VAL A 389 91.413 13.599 -9.272 1.00 0.00 H new ATOM 0 HA VAL A 389 92.989 14.314 -6.932 1.00 0.00 H new ATOM 0 HB VAL A 389 94.506 12.322 -7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.068 10.738 -6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 389 92.888 12.396 -5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 389 91.634 11.700 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 389 93.535 10.357 -8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.107 11.325 -8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 389 93.703 11.741 -9.564 1.00 0.00 H new ATOM 1047 N SER A 390 94.813 15.060 -8.505 1.00 0.00 N ATOM 1048 CA SER A 390 95.718 15.690 -9.458 1.00 0.00 C ATOM 1049 C SER A 390 96.584 14.637 -10.137 1.00 0.00 C ATOM 1050 O SER A 390 96.362 13.438 -9.972 1.00 0.00 O ATOM 1051 CB SER A 390 96.609 16.705 -8.743 1.00 0.00 C ATOM 1052 OG SER A 390 97.617 17.158 -9.637 1.00 0.00 O ATOM 0 H SER A 390 95.023 15.255 -7.526 1.00 0.00 H new ATOM 0 HA SER A 390 95.124 16.204 -10.214 1.00 0.00 H new ATOM 0 HB2 SER A 390 96.012 17.547 -8.393 1.00 0.00 H new ATOM 0 HB3 SER A 390 97.065 16.250 -7.863 1.00 0.00 H new ATOM 0 HG SER A 390 98.189 17.811 -9.182 1.00 0.00 H new ATOM 1058 N GLY A 391 97.572 15.090 -10.901 1.00 0.00 N ATOM 1059 CA GLY A 391 98.464 14.173 -11.597 1.00 0.00 C ATOM 1060 C GLY A 391 99.062 13.161 -10.625 1.00 0.00 C ATOM 1061 O GLY A 391 98.384 12.236 -10.183 1.00 0.00 O ATOM 0 H GLY A 391 97.774 16.078 -11.053 1.00 0.00 H new ATOM 0 HA2 GLY A 391 97.917 13.651 -12.382 1.00 0.00 H new ATOM 0 HA3 GLY A 391 99.262 14.733 -12.083 1.00 0.00 H new ATOM 1065 N VAL A 392 100.337 13.345 -10.299 1.00 0.00 N ATOM 1066 CA VAL A 392 101.022 12.442 -9.376 1.00 0.00 C ATOM 1067 C VAL A 392 102.197 13.148 -8.708 1.00 0.00 C ATOM 1068 O VAL A 392 102.866 13.980 -9.321 1.00 0.00 O ATOM 1069 CB VAL A 392 101.536 11.209 -10.128 1.00 0.00 C ATOM 1070 CG1 VAL A 392 100.357 10.369 -10.625 1.00 0.00 C ATOM 1071 CG2 VAL A 392 102.379 11.660 -11.323 1.00 0.00 C ATOM 0 H VAL A 392 100.915 14.105 -10.656 1.00 0.00 H new ATOM 0 HA VAL A 392 100.309 12.133 -8.611 1.00 0.00 H new ATOM 0 HB VAL A 392 102.144 10.606 -9.454 1.00 0.00 H new ATOM 0 HG11 VAL A 392 100.732 9.495 -11.158 1.00 0.00 H new ATOM 0 HG12 VAL A 392 99.757 10.045 -9.775 1.00 0.00 H new ATOM 0 HG13 VAL A 392 99.742 10.967 -11.297 1.00 0.00 H new ATOM 0 HG21 VAL A 392 102.746 10.785 -11.860 1.00 0.00 H new ATOM 0 HG22 VAL A 392 101.768 12.266 -11.992 1.00 0.00 H new ATOM 0 HG23 VAL A 392 103.225 12.250 -10.970 1.00 0.00 H new ATOM 1081 N TYR A 393 102.446 12.802 -7.445 1.00 0.00 N ATOM 1082 CA TYR A 393 103.550 13.396 -6.685 1.00 0.00 C ATOM 1083 C TYR A 393 104.681 12.385 -6.523 1.00 0.00 C ATOM 1084 O TYR A 393 104.453 11.248 -6.108 1.00 0.00 O ATOM 1085 CB TYR A 393 103.057 13.835 -5.304 1.00 0.00 C ATOM 1086 CG TYR A 393 102.179 15.057 -5.445 1.00 0.00 C ATOM 1087 CD1 TYR A 393 102.748 16.288 -5.796 1.00 0.00 C ATOM 1088 CD2 TYR A 393 100.798 14.962 -5.226 1.00 0.00 C ATOM 1089 CE1 TYR A 393 101.937 17.422 -5.928 1.00 0.00 C ATOM 1090 CE2 TYR A 393 99.989 16.097 -5.358 1.00 0.00 C ATOM 1091 CZ TYR A 393 100.558 17.326 -5.709 1.00 0.00 C ATOM 1092 OH TYR A 393 99.760 18.444 -5.839 1.00 0.00 O ATOM 0 H TYR A 393 101.900 12.115 -6.926 1.00 0.00 H new ATOM 0 HA TYR A 393 103.921 14.264 -7.230 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.499 13.026 -4.832 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.906 14.057 -4.657 1.00 0.00 H new ATOM 0 HD1 TYR A 393 103.812 16.363 -5.965 1.00 0.00 H new ATOM 0 HD2 TYR A 393 100.358 14.014 -4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 393 102.376 18.371 -6.199 1.00 0.00 H new ATOM 0 HE2 TYR A 393 98.925 16.024 -5.189 1.00 0.00 H new ATOM 0 HH TYR A 393 98.828 18.204 -5.654 1.00 0.00 H new ATOM 1102 N ALA A 394 105.897 12.805 -6.852 1.00 0.00 N ATOM 1103 CA ALA A 394 107.053 11.923 -6.739 1.00 0.00 C ATOM 1104 C ALA A 394 107.351 11.614 -5.275 1.00 0.00 C ATOM 1105 O ALA A 394 107.808 10.519 -4.944 1.00 0.00 O ATOM 1106 CB ALA A 394 108.276 12.577 -7.384 1.00 0.00 C ATOM 0 H ALA A 394 106.108 13.742 -7.196 1.00 0.00 H new ATOM 0 HA ALA A 394 106.826 10.991 -7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 394 109.134 11.911 -7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 394 108.073 12.768 -8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.493 13.519 -6.880 1.00 0.00 H new ATOM 1112 N SER A 395 107.091 12.585 -4.401 1.00 0.00 N ATOM 1113 CA SER A 395 107.336 12.412 -2.969 1.00 0.00 C ATOM 1114 C SER A 395 106.279 13.147 -2.153 1.00 0.00 C ATOM 1115 O SER A 395 105.766 14.185 -2.575 1.00 0.00 O ATOM 1116 CB SER A 395 108.722 12.947 -2.611 1.00 0.00 C ATOM 1117 OG SER A 395 108.866 14.262 -3.129 1.00 0.00 O ATOM 0 H SER A 395 106.712 13.497 -4.657 1.00 0.00 H new ATOM 0 HA SER A 395 107.284 11.349 -2.735 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.854 12.954 -1.529 1.00 0.00 H new ATOM 0 HB3 SER A 395 109.493 12.295 -3.022 1.00 0.00 H new ATOM 0 HG SER A 395 109.753 14.609 -2.900 1.00 0.00 H new ATOM 1123 N LYS A 396 105.956 12.602 -0.985 1.00 0.00 N ATOM 1124 CA LYS A 396 104.957 13.214 -0.117 1.00 0.00 C ATOM 1125 C LYS A 396 105.384 14.620 0.292 1.00 0.00 C ATOM 1126 O LYS A 396 104.580 15.401 0.798 1.00 0.00 O ATOM 1127 CB LYS A 396 104.759 12.356 1.135 1.00 0.00 C ATOM 1128 CG LYS A 396 103.769 13.044 2.078 1.00 0.00 C ATOM 1129 CD LYS A 396 103.282 12.042 3.127 1.00 0.00 C ATOM 1130 CE LYS A 396 102.591 12.791 4.269 1.00 0.00 C ATOM 1131 NZ LYS A 396 101.814 11.824 5.097 1.00 0.00 N ATOM 0 H LYS A 396 106.368 11.744 -0.619 1.00 0.00 H new ATOM 0 HA LYS A 396 104.019 13.280 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 396 104.387 11.370 0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 396 105.713 12.206 1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 396 104.246 13.894 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 396 102.923 13.434 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 396 102.591 11.332 2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 396 104.123 11.466 3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 396 103.332 13.301 4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 396 101.928 13.558 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 100.972 12.296 5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 101.520 11.020 4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 102.408 11.481 5.879 1.00 0.00 H new ATOM 1145 N GLU A 397 106.656 14.935 0.067 1.00 0.00 N ATOM 1146 CA GLU A 397 107.179 16.251 0.419 1.00 0.00 C ATOM 1147 C GLU A 397 106.325 17.353 -0.200 1.00 0.00 C ATOM 1148 O GLU A 397 105.480 17.947 0.472 1.00 0.00 O ATOM 1149 CB GLU A 397 108.622 16.386 -0.072 1.00 0.00 C ATOM 1150 CG GLU A 397 109.501 15.351 0.634 1.00 0.00 C ATOM 1151 CD GLU A 397 109.615 15.689 2.118 1.00 0.00 C ATOM 1152 OE1 GLU A 397 110.209 16.708 2.428 1.00 0.00 O ATOM 1153 OE2 GLU A 397 109.107 14.924 2.919 1.00 0.00 O ATOM 0 H GLU A 397 107.338 14.304 -0.353 1.00 0.00 H new ATOM 0 HA GLU A 397 107.151 16.353 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 397 108.665 16.240 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 397 108.993 17.391 0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 397 109.075 14.355 0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 397 110.492 15.332 0.180 1.00 0.00 H new ATOM 1160 N GLU A 398 106.552 17.622 -1.480 1.00 0.00 N ATOM 1161 CA GLU A 398 105.799 18.658 -2.180 1.00 0.00 C ATOM 1162 C GLU A 398 104.299 18.454 -1.993 1.00 0.00 C ATOM 1163 O GLU A 398 103.523 19.410 -2.033 1.00 0.00 O ATOM 1164 CB GLU A 398 106.139 18.633 -3.671 1.00 0.00 C ATOM 1165 CG GLU A 398 106.089 17.192 -4.182 1.00 0.00 C ATOM 1166 CD GLU A 398 106.284 17.168 -5.694 1.00 0.00 C ATOM 1167 OE1 GLU A 398 106.420 18.235 -6.271 1.00 0.00 O ATOM 1168 OE2 GLU A 398 106.295 16.084 -6.254 1.00 0.00 O ATOM 0 H GLU A 398 107.246 17.141 -2.052 1.00 0.00 H new ATOM 0 HA GLU A 398 106.075 19.626 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 398 105.434 19.252 -4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 398 107.131 19.054 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 398 106.864 16.599 -3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 398 105.132 16.739 -3.923 1.00 0.00 H new ATOM 1175 N ALA A 399 103.894 17.205 -1.792 1.00 0.00 N ATOM 1176 CA ALA A 399 102.482 16.891 -1.604 1.00 0.00 C ATOM 1177 C ALA A 399 101.928 17.623 -0.385 1.00 0.00 C ATOM 1178 O ALA A 399 100.758 18.007 -0.359 1.00 0.00 O ATOM 1179 CB ALA A 399 102.301 15.382 -1.422 1.00 0.00 C ATOM 0 H ALA A 399 104.518 16.399 -1.755 1.00 0.00 H new ATOM 0 HA ALA A 399 101.936 17.217 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.244 15.157 -1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.669 14.862 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.861 15.051 -0.547 1.00 0.00 H new ATOM 1185 N LYS A 400 102.774 17.809 0.623 1.00 0.00 N ATOM 1186 CA LYS A 400 102.356 18.493 1.841 1.00 0.00 C ATOM 1187 C LYS A 400 102.064 19.964 1.561 1.00 0.00 C ATOM 1188 O LYS A 400 100.939 20.428 1.743 1.00 0.00 O ATOM 1189 CB LYS A 400 103.454 18.383 2.903 1.00 0.00 C ATOM 1190 CG LYS A 400 102.893 18.803 4.263 1.00 0.00 C ATOM 1191 CD LYS A 400 104.022 18.834 5.294 1.00 0.00 C ATOM 1192 CE LYS A 400 103.496 19.408 6.611 1.00 0.00 C ATOM 1193 NZ LYS A 400 102.216 18.733 6.969 1.00 0.00 N ATOM 0 H LYS A 400 103.746 17.498 0.621 1.00 0.00 H new ATOM 0 HA LYS A 400 101.445 18.018 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 400 103.826 17.360 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 400 104.299 19.017 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 400 102.428 19.786 4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 400 102.117 18.106 4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 400 104.411 17.828 5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 400 104.849 19.441 4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 400 104.231 19.262 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 400 103.339 20.482 6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 102.065 18.797 7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 101.428 19.197 6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 102.260 17.733 6.688 1.00 0.00 H new ATOM 1207 N LYS A 401 103.084 20.692 1.118 1.00 0.00 N ATOM 1208 CA LYS A 401 102.924 22.111 0.818 1.00 0.00 C ATOM 1209 C LYS A 401 101.808 22.320 -0.202 1.00 0.00 C ATOM 1210 O LYS A 401 101.230 23.403 -0.290 1.00 0.00 O ATOM 1211 CB LYS A 401 104.238 22.682 0.267 1.00 0.00 C ATOM 1212 CG LYS A 401 105.276 22.817 1.399 1.00 0.00 C ATOM 1213 CD LYS A 401 105.111 24.167 2.127 1.00 0.00 C ATOM 1214 CE LYS A 401 105.907 25.261 1.403 1.00 0.00 C ATOM 1215 NZ LYS A 401 107.365 24.988 1.539 1.00 0.00 N ATOM 0 H LYS A 401 104.023 20.327 0.960 1.00 0.00 H new ATOM 0 HA LYS A 401 102.661 22.631 1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 401 104.626 22.031 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 401 104.057 23.656 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 401 105.157 21.998 2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 401 106.283 22.740 0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 401 104.057 24.440 2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 401 105.456 24.077 3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 401 105.629 25.291 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 401 105.668 26.238 1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 107.827 25.793 2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 107.506 24.128 2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 107.782 24.852 0.596 1.00 0.00 H new ATOM 1229 N ALA A 402 101.511 21.275 -0.969 1.00 0.00 N ATOM 1230 CA ALA A 402 100.461 21.359 -1.979 1.00 0.00 C ATOM 1231 C ALA A 402 99.168 21.888 -1.367 1.00 0.00 C ATOM 1232 O ALA A 402 98.606 22.876 -1.839 1.00 0.00 O ATOM 1233 CB ALA A 402 100.214 19.978 -2.591 1.00 0.00 C ATOM 0 H ALA A 402 101.977 20.369 -0.912 1.00 0.00 H new ATOM 0 HA ALA A 402 100.787 22.048 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 402 99.429 20.049 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 402 101.131 19.617 -3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 402 99.906 19.284 -1.809 1.00 0.00 H new ATOM 1239 N VAL A 403 98.701 21.225 -0.314 1.00 0.00 N ATOM 1240 CA VAL A 403 97.471 21.637 0.353 1.00 0.00 C ATOM 1241 C VAL A 403 97.466 23.145 0.587 1.00 0.00 C ATOM 1242 O VAL A 403 96.465 23.818 0.342 1.00 0.00 O ATOM 1243 CB VAL A 403 97.336 20.913 1.693 1.00 0.00 C ATOM 1244 CG1 VAL A 403 96.047 21.357 2.387 1.00 0.00 C ATOM 1245 CG2 VAL A 403 97.291 19.403 1.451 1.00 0.00 C ATOM 0 H VAL A 403 99.152 20.406 0.094 1.00 0.00 H new ATOM 0 HA VAL A 403 96.629 21.377 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 403 98.190 21.156 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 403 95.951 20.840 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 403 96.078 22.433 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 403 95.192 21.114 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 403 97.195 18.884 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 403 96.437 19.161 0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 403 98.209 19.086 0.957 1.00 0.00 H new ATOM 1255 N SER A 404 98.592 23.669 1.061 1.00 0.00 N ATOM 1256 CA SER A 404 98.706 25.099 1.322 1.00 0.00 C ATOM 1257 C SER A 404 98.288 25.901 0.094 1.00 0.00 C ATOM 1258 O SER A 404 97.496 26.839 0.192 1.00 0.00 O ATOM 1259 CB SER A 404 100.146 25.449 1.696 1.00 0.00 C ATOM 1260 OG SER A 404 100.642 24.483 2.613 1.00 0.00 O ATOM 0 H SER A 404 99.432 23.130 1.271 1.00 0.00 H new ATOM 0 HA SER A 404 98.045 25.352 2.151 1.00 0.00 H new ATOM 0 HB2 SER A 404 100.770 25.473 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.187 26.443 2.140 1.00 0.00 H new ATOM 0 HG SER A 404 101.566 24.704 2.853 1.00 0.00 H new ATOM 1266 N THR A 405 98.827 25.526 -1.061 1.00 0.00 N ATOM 1267 CA THR A 405 98.506 26.219 -2.303 1.00 0.00 C ATOM 1268 C THR A 405 96.995 26.293 -2.506 1.00 0.00 C ATOM 1269 O THR A 405 96.443 27.369 -2.733 1.00 0.00 O ATOM 1270 CB THR A 405 99.147 25.488 -3.486 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.438 24.283 -3.737 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.606 25.168 -3.159 1.00 0.00 C ATOM 0 H THR A 405 99.483 24.752 -1.163 1.00 0.00 H new ATOM 0 HA THR A 405 98.900 27.234 -2.243 1.00 0.00 H new ATOM 0 HB THR A 405 99.107 26.122 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.718 23.598 -3.094 1.00 0.00 H new ATOM 0 HG21 THR A 405 101.062 24.648 -4.001 1.00 0.00 H new ATOM 0 HG22 THR A 405 101.148 26.094 -2.968 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.650 24.533 -2.274 1.00 0.00 H new ATOM 1280 N LEU A 406 96.331 25.143 -2.427 1.00 0.00 N ATOM 1281 CA LEU A 406 94.884 25.094 -2.609 1.00 0.00 C ATOM 1282 C LEU A 406 94.205 26.209 -1.804 1.00 0.00 C ATOM 1283 O LEU A 406 94.680 26.569 -0.727 1.00 0.00 O ATOM 1284 CB LEU A 406 94.346 23.734 -2.149 1.00 0.00 C ATOM 1285 CG LEU A 406 95.220 22.605 -2.710 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.569 21.255 -2.398 1.00 0.00 C ATOM 1287 CD2 LEU A 406 95.363 22.765 -4.229 1.00 0.00 C ATOM 0 H LEU A 406 96.767 24.240 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 406 94.663 25.235 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.334 23.688 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.317 23.609 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 406 96.207 22.650 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.189 20.452 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 406 94.473 21.138 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.581 21.213 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 406 95.985 21.961 -4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 406 94.378 22.723 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 406 95.828 23.725 -4.452 1.00 0.00 H new ATOM 1299 N PRO A 407 93.112 26.759 -2.288 1.00 0.00 N ATOM 1300 CA PRO A 407 92.381 27.848 -1.570 1.00 0.00 C ATOM 1301 C PRO A 407 91.624 27.317 -0.352 1.00 0.00 C ATOM 1302 O PRO A 407 91.672 26.125 -0.051 1.00 0.00 O ATOM 1303 CB PRO A 407 91.415 28.388 -2.633 1.00 0.00 C ATOM 1304 CG PRO A 407 91.145 27.218 -3.522 1.00 0.00 C ATOM 1305 CD PRO A 407 92.448 26.416 -3.563 1.00 0.00 C ATOM 0 HA PRO A 407 93.051 28.611 -1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 407 90.497 28.763 -2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.858 29.215 -3.188 1.00 0.00 H new ATOM 0 HG2 PRO A 407 90.326 26.613 -3.134 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.855 27.544 -4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 407 92.257 25.346 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 407 93.061 26.692 -4.421 1.00 0.00 H new ATOM 1313 N ALA A 408 90.925 28.211 0.338 1.00 0.00 N ATOM 1314 CA ALA A 408 90.160 27.822 1.516 1.00 0.00 C ATOM 1315 C ALA A 408 89.018 26.887 1.127 1.00 0.00 C ATOM 1316 O ALA A 408 88.845 25.822 1.719 1.00 0.00 O ATOM 1317 CB ALA A 408 89.593 29.064 2.206 1.00 0.00 C ATOM 0 H ALA A 408 90.872 29.202 0.104 1.00 0.00 H new ATOM 0 HA ALA A 408 90.826 27.299 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 408 89.023 28.764 3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.411 29.717 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 408 88.940 29.598 1.515 1.00 0.00 H new ATOM 1323 N ASP A 409 88.241 27.295 0.129 1.00 0.00 N ATOM 1324 CA ASP A 409 87.117 26.488 -0.334 1.00 0.00 C ATOM 1325 C ASP A 409 87.521 25.023 -0.464 1.00 0.00 C ATOM 1326 O ASP A 409 86.791 24.128 -0.039 1.00 0.00 O ATOM 1327 CB ASP A 409 86.630 27.006 -1.689 1.00 0.00 C ATOM 1328 CG ASP A 409 85.372 26.254 -2.114 1.00 0.00 C ATOM 1329 OD1 ASP A 409 85.477 25.067 -2.376 1.00 0.00 O ATOM 1330 OD2 ASP A 409 84.325 26.876 -2.171 1.00 0.00 O ATOM 0 H ASP A 409 88.367 28.174 -0.372 1.00 0.00 H new ATOM 0 HA ASP A 409 86.313 26.565 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 409 86.421 28.074 -1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 409 87.411 26.878 -2.439 1.00 0.00 H new ATOM 1335 N VAL A 410 88.688 24.785 -1.055 1.00 0.00 N ATOM 1336 CA VAL A 410 89.177 23.423 -1.237 1.00 0.00 C ATOM 1337 C VAL A 410 89.663 22.844 0.090 1.00 0.00 C ATOM 1338 O VAL A 410 89.194 21.792 0.525 1.00 0.00 O ATOM 1339 CB VAL A 410 90.314 23.409 -2.265 1.00 0.00 C ATOM 1340 CG1 VAL A 410 90.963 22.020 -2.306 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.746 23.747 -3.647 1.00 0.00 C ATOM 0 H VAL A 410 89.308 25.511 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 410 88.357 22.805 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 410 91.066 24.146 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.770 22.017 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.365 21.777 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 410 90.216 21.277 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.550 23.739 -4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 410 88.994 23.007 -3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 410 89.289 24.736 -3.620 1.00 0.00 H new ATOM 1351 N GLN A 411 90.601 23.534 0.731 1.00 0.00 N ATOM 1352 CA GLN A 411 91.130 23.070 2.009 1.00 0.00 C ATOM 1353 C GLN A 411 89.986 22.766 2.970 1.00 0.00 C ATOM 1354 O GLN A 411 90.178 22.121 4.001 1.00 0.00 O ATOM 1355 CB GLN A 411 92.047 24.136 2.613 1.00 0.00 C ATOM 1356 CG GLN A 411 92.610 23.630 3.943 1.00 0.00 C ATOM 1357 CD GLN A 411 93.773 24.514 4.384 1.00 0.00 C ATOM 1358 OE1 GLN A 411 94.509 24.157 5.305 1.00 0.00 O ATOM 1359 NE2 GLN A 411 93.982 25.650 3.780 1.00 0.00 N ATOM 0 H GLN A 411 91.007 24.406 0.392 1.00 0.00 H new ATOM 0 HA GLN A 411 91.704 22.159 1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 411 92.861 24.364 1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.493 25.062 2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 411 91.829 23.635 4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 411 92.946 22.598 3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 411 93.371 25.942 3.018 1.00 0.00 H new ATOM 0 HE22 GLN A 411 94.757 26.247 4.070 1.00 0.00 H new ATOM 1368 N ALA A 412 88.794 23.241 2.620 1.00 0.00 N ATOM 1369 CA ALA A 412 87.611 23.021 3.448 1.00 0.00 C ATOM 1370 C ALA A 412 87.593 21.593 3.992 1.00 0.00 C ATOM 1371 O ALA A 412 87.337 21.370 5.175 1.00 0.00 O ATOM 1372 CB ALA A 412 86.345 23.272 2.628 1.00 0.00 C ATOM 0 H ALA A 412 88.621 23.779 1.771 1.00 0.00 H new ATOM 0 HA ALA A 412 87.644 23.716 4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 412 85.468 23.106 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 412 86.343 24.300 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 412 86.320 22.589 1.779 1.00 0.00 H new ATOM 1378 N LYS A 413 87.872 20.632 3.116 1.00 0.00 N ATOM 1379 CA LYS A 413 87.891 19.224 3.508 1.00 0.00 C ATOM 1380 C LYS A 413 89.249 18.864 4.106 1.00 0.00 C ATOM 1381 O LYS A 413 89.392 17.849 4.789 1.00 0.00 O ATOM 1382 CB LYS A 413 87.605 18.339 2.284 1.00 0.00 C ATOM 1383 CG LYS A 413 86.650 19.072 1.342 1.00 0.00 C ATOM 1384 CD LYS A 413 86.154 18.108 0.263 1.00 0.00 C ATOM 1385 CE LYS A 413 85.301 18.874 -0.751 1.00 0.00 C ATOM 1386 NZ LYS A 413 84.536 17.908 -1.586 1.00 0.00 N ATOM 0 H LYS A 413 88.087 20.800 2.133 1.00 0.00 H new ATOM 0 HA LYS A 413 87.120 19.054 4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 413 88.535 18.103 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 413 87.167 17.392 2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 413 85.805 19.472 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 413 87.157 19.920 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 413 87.001 17.639 -0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 413 85.569 17.308 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 413 84.616 19.545 -0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 413 85.937 19.493 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 84.467 18.269 -2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 85.025 16.990 -1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 83.581 17.790 -1.192 1.00 0.00 H new ATOM 1400 N ASN A 414 90.240 19.706 3.838 1.00 0.00 N ATOM 1401 CA ASN A 414 91.586 19.478 4.344 1.00 0.00 C ATOM 1402 C ASN A 414 92.124 18.138 3.846 1.00 0.00 C ATOM 1403 O ASN A 414 92.162 17.159 4.592 1.00 0.00 O ATOM 1404 CB ASN A 414 91.576 19.488 5.874 1.00 0.00 C ATOM 1405 CG ASN A 414 93.005 19.542 6.404 1.00 0.00 C ATOM 1406 OD1 ASN A 414 93.685 20.558 6.258 1.00 0.00 O ATOM 1407 ND2 ASN A 414 93.503 18.502 7.014 1.00 0.00 N ATOM 0 H ASN A 414 90.136 20.550 3.275 1.00 0.00 H new ATOM 0 HA ASN A 414 92.233 20.276 3.979 1.00 0.00 H new ATOM 0 HB2 ASN A 414 91.012 20.347 6.237 1.00 0.00 H new ATOM 0 HB3 ASN A 414 91.074 18.596 6.249 1.00 0.00 H new ATOM 0 HD21 ASN A 414 94.458 18.529 7.371 1.00 0.00 H new ATOM 0 HD22 ASN A 414 92.937 17.662 7.134 1.00 0.00 H new ATOM 1414 N PRO A 415 92.530 18.077 2.605 1.00 0.00 N ATOM 1415 CA PRO A 415 93.072 16.825 1.994 1.00 0.00 C ATOM 1416 C PRO A 415 94.113 16.147 2.884 1.00 0.00 C ATOM 1417 O PRO A 415 94.553 16.714 3.884 1.00 0.00 O ATOM 1418 CB PRO A 415 93.692 17.312 0.677 1.00 0.00 C ATOM 1419 CG PRO A 415 92.912 18.536 0.317 1.00 0.00 C ATOM 1420 CD PRO A 415 92.522 19.194 1.643 1.00 0.00 C ATOM 0 HA PRO A 415 92.302 16.067 1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 415 94.751 17.539 0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.617 16.552 -0.101 1.00 0.00 H new ATOM 0 HG2 PRO A 415 93.509 19.213 -0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 415 92.027 18.278 -0.265 1.00 0.00 H new ATOM 0 HD2 PRO A 415 93.231 19.972 1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 415 91.540 19.664 1.583 1.00 0.00 H new ATOM 1428 N TRP A 416 94.503 14.931 2.508 1.00 0.00 N ATOM 1429 CA TRP A 416 95.494 14.174 3.272 1.00 0.00 C ATOM 1430 C TRP A 416 96.285 13.252 2.351 1.00 0.00 C ATOM 1431 O TRP A 416 95.907 13.034 1.199 1.00 0.00 O ATOM 1432 CB TRP A 416 94.800 13.346 4.355 1.00 0.00 C ATOM 1433 CG TRP A 416 93.684 12.558 3.746 1.00 0.00 C ATOM 1434 CD1 TRP A 416 92.555 13.088 3.220 1.00 0.00 C ATOM 1435 CD2 TRP A 416 93.567 11.114 3.593 1.00 0.00 C ATOM 1436 NE1 TRP A 416 91.755 12.061 2.754 1.00 0.00 N ATOM 1437 CE2 TRP A 416 92.335 10.826 2.960 1.00 0.00 C ATOM 1438 CE3 TRP A 416 94.403 10.036 3.938 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 91.945 9.516 2.679 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 94.013 8.715 3.657 1.00 0.00 C ATOM 1441 CH2 TRP A 416 92.787 8.456 3.028 1.00 0.00 C ATOM 0 H TRP A 416 94.150 14.449 1.681 1.00 0.00 H new ATOM 0 HA TRP A 416 96.181 14.879 3.741 1.00 0.00 H new ATOM 0 HB2 TRP A 416 95.516 12.675 4.829 1.00 0.00 H new ATOM 0 HB3 TRP A 416 94.413 14.001 5.135 1.00 0.00 H new ATOM 0 HD1 TRP A 416 92.318 14.141 3.172 1.00 0.00 H new ATOM 0 HE1 TRP A 416 90.846 12.199 2.312 1.00 0.00 H new ATOM 0 HE3 TRP A 416 95.350 10.225 4.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 90.999 9.322 2.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 94.662 7.895 3.927 1.00 0.00 H new ATOM 0 HH2 TRP A 416 92.494 7.439 2.813 1.00 0.00 H new ATOM 1452 N ALA A 417 97.385 12.713 2.866 1.00 0.00 N ATOM 1453 CA ALA A 417 98.227 11.817 2.080 1.00 0.00 C ATOM 1454 C ALA A 417 97.587 10.437 1.964 1.00 0.00 C ATOM 1455 O ALA A 417 97.562 9.671 2.928 1.00 0.00 O ATOM 1456 CB ALA A 417 99.604 11.689 2.733 1.00 0.00 C ATOM 0 H ALA A 417 97.713 12.879 3.817 1.00 0.00 H new ATOM 0 HA ALA A 417 98.335 12.238 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 417 100.227 11.019 2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 417 100.075 12.671 2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 417 99.493 11.286 3.740 1.00 0.00 H new ATOM 1462 N LYS A 418 97.064 10.128 0.776 1.00 0.00 N ATOM 1463 CA LYS A 418 96.416 8.838 0.524 1.00 0.00 C ATOM 1464 C LYS A 418 97.212 8.034 -0.509 1.00 0.00 C ATOM 1465 O LYS A 418 96.902 8.073 -1.700 1.00 0.00 O ATOM 1466 CB LYS A 418 95.001 9.076 -0.008 1.00 0.00 C ATOM 1467 CG LYS A 418 94.241 7.749 -0.057 1.00 0.00 C ATOM 1468 CD LYS A 418 92.815 7.995 -0.555 1.00 0.00 C ATOM 1469 CE LYS A 418 92.096 6.656 -0.725 1.00 0.00 C ATOM 1470 NZ LYS A 418 91.848 6.053 0.615 1.00 0.00 N ATOM 0 H LYS A 418 97.076 10.755 -0.029 1.00 0.00 H new ATOM 0 HA LYS A 418 96.375 8.277 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 418 94.475 9.784 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 418 95.045 9.518 -1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 418 94.753 7.049 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 418 94.218 7.294 0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 418 92.274 8.623 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 418 92.837 8.531 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 418 91.152 6.802 -1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 418 92.699 5.982 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 92.405 5.180 0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 92.128 6.727 1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 90.837 5.831 0.714 1.00 0.00 H new ATOM 1484 N PRO A 419 98.225 7.315 -0.086 1.00 0.00 N ATOM 1485 CA PRO A 419 99.068 6.498 -1.010 1.00 0.00 C ATOM 1486 C PRO A 419 98.233 5.686 -1.998 1.00 0.00 C ATOM 1487 O PRO A 419 97.078 5.358 -1.728 1.00 0.00 O ATOM 1488 CB PRO A 419 99.852 5.584 -0.062 1.00 0.00 C ATOM 1489 CG PRO A 419 99.972 6.369 1.203 1.00 0.00 C ATOM 1490 CD PRO A 419 98.686 7.195 1.311 1.00 0.00 C ATOM 0 HA PRO A 419 99.707 7.118 -1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 419 99.329 4.642 0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 419 100.832 5.337 -0.470 1.00 0.00 H new ATOM 0 HG2 PRO A 419 100.085 5.709 2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 419 100.850 7.015 1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 419 97.943 6.699 1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 419 98.875 8.172 1.755 1.00 0.00 H new ATOM 1498 N LEU A 420 98.830 5.366 -3.141 1.00 0.00 N ATOM 1499 CA LEU A 420 98.138 4.592 -4.164 1.00 0.00 C ATOM 1500 C LEU A 420 98.004 3.137 -3.719 1.00 0.00 C ATOM 1501 O LEU A 420 97.363 2.330 -4.390 1.00 0.00 O ATOM 1502 CB LEU A 420 98.914 4.655 -5.487 1.00 0.00 C ATOM 1503 CG LEU A 420 98.711 6.020 -6.172 1.00 0.00 C ATOM 1504 CD1 LEU A 420 97.272 6.157 -6.708 1.00 0.00 C ATOM 1505 CD2 LEU A 420 99.002 7.145 -5.172 1.00 0.00 C ATOM 0 H LEU A 420 99.786 5.629 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 420 97.144 5.016 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 420 99.975 4.490 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 420 98.579 3.857 -6.149 1.00 0.00 H new ATOM 0 HG LEU A 420 99.399 6.091 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 420 97.153 7.129 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 420 97.078 5.368 -7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 420 96.566 6.071 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 420 98.858 8.110 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 420 98.324 7.061 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 420 100.032 7.064 -4.823 1.00 0.00 H new ATOM 1517 N ARG A 421 98.613 2.812 -2.582 1.00 0.00 N ATOM 1518 CA ARG A 421 98.560 1.451 -2.054 1.00 0.00 C ATOM 1519 C ARG A 421 97.155 0.866 -2.215 1.00 0.00 C ATOM 1520 O ARG A 421 96.983 -0.225 -2.756 1.00 0.00 O ATOM 1521 CB ARG A 421 98.968 1.456 -0.567 1.00 0.00 C ATOM 1522 CG ARG A 421 99.620 0.119 -0.183 1.00 0.00 C ATOM 1523 CD ARG A 421 98.668 -1.039 -0.500 1.00 0.00 C ATOM 1524 NE ARG A 421 99.051 -2.227 0.254 1.00 0.00 N ATOM 1525 CZ ARG A 421 98.438 -3.390 0.062 1.00 0.00 C ATOM 1526 NH1 ARG A 421 97.474 -3.484 -0.813 1.00 0.00 N ATOM 1527 NH2 ARG A 421 98.800 -4.441 0.749 1.00 0.00 N ATOM 0 H ARG A 421 99.146 3.468 -2.011 1.00 0.00 H new ATOM 0 HA ARG A 421 99.256 0.828 -2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 421 99.663 2.274 -0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 421 98.091 1.632 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 421 100.555 -0.009 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 421 99.867 0.117 0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 421 97.645 -0.756 -0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 421 98.689 -1.255 -1.568 1.00 0.00 H new ATOM 0 HE ARG A 421 99.803 -2.164 0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 421 97.191 -2.664 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 421 97.004 -4.377 -0.960 1.00 0.00 H new ATOM 0 HH21 ARG A 421 99.553 -4.369 1.433 1.00 0.00 H new ATOM 0 HH22 ARG A 421 98.329 -5.334 0.601 1.00 0.00 H new ATOM 1541 N GLN A 422 96.153 1.604 -1.743 1.00 0.00 N ATOM 1542 CA GLN A 422 94.770 1.149 -1.841 1.00 0.00 C ATOM 1543 C GLN A 422 94.215 1.403 -3.236 1.00 0.00 C ATOM 1544 O GLN A 422 93.828 0.466 -3.932 1.00 0.00 O ATOM 1545 CB GLN A 422 93.905 1.869 -0.804 1.00 0.00 C ATOM 1546 CG GLN A 422 94.444 1.584 0.599 1.00 0.00 C ATOM 1547 CD GLN A 422 93.516 2.187 1.646 1.00 0.00 C ATOM 1548 OE1 GLN A 422 92.892 3.220 1.404 1.00 0.00 O ATOM 1549 NE2 GLN A 422 93.385 1.598 2.804 1.00 0.00 N ATOM 0 H GLN A 422 96.272 2.512 -1.293 1.00 0.00 H new ATOM 0 HA GLN A 422 94.750 0.077 -1.647 1.00 0.00 H new ATOM 0 HB2 GLN A 422 93.908 2.942 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 422 92.871 1.534 -0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 422 94.529 0.508 0.753 1.00 0.00 H new ATOM 0 HG3 GLN A 422 95.445 2.002 0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 422 93.903 0.742 3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 422 92.765 1.994 3.510 1.00 0.00 H new ATOM 1558 N VAL A 423 94.168 2.675 -3.633 1.00 0.00 N ATOM 1559 CA VAL A 423 93.648 3.046 -4.950 1.00 0.00 C ATOM 1560 C VAL A 423 94.052 2.019 -6.006 1.00 0.00 C ATOM 1561 O VAL A 423 93.372 1.857 -7.020 1.00 0.00 O ATOM 1562 CB VAL A 423 94.179 4.420 -5.351 1.00 0.00 C ATOM 1563 CG1 VAL A 423 93.479 4.886 -6.630 1.00 0.00 C ATOM 1564 CG2 VAL A 423 93.904 5.420 -4.226 1.00 0.00 C ATOM 0 H VAL A 423 94.482 3.462 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 423 92.560 3.075 -4.889 1.00 0.00 H new ATOM 0 HB VAL A 423 95.253 4.357 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 423 93.859 5.867 -6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 423 93.674 4.174 -7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 423 92.405 4.949 -6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 423 94.283 6.402 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 423 92.830 5.483 -4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 423 94.403 5.089 -3.315 1.00 0.00 H new ATOM 1574 N GLN A 424 95.154 1.320 -5.754 1.00 0.00 N ATOM 1575 CA GLN A 424 95.626 0.301 -6.682 1.00 0.00 C ATOM 1576 C GLN A 424 94.586 -0.811 -6.800 1.00 0.00 C ATOM 1577 O GLN A 424 94.778 -1.783 -7.531 1.00 0.00 O ATOM 1578 CB GLN A 424 96.969 -0.275 -6.195 1.00 0.00 C ATOM 1579 CG GLN A 424 98.127 0.617 -6.667 1.00 0.00 C ATOM 1580 CD GLN A 424 99.370 0.357 -5.821 1.00 0.00 C ATOM 1581 OE1 GLN A 424 100.250 1.214 -5.728 1.00 0.00 O ATOM 1582 NE2 GLN A 424 99.496 -0.780 -5.193 1.00 0.00 N ATOM 0 H GLN A 424 95.732 1.439 -4.922 1.00 0.00 H new ATOM 0 HA GLN A 424 95.775 0.752 -7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 424 96.972 -0.343 -5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 424 97.100 -1.287 -6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 424 98.344 0.419 -7.717 1.00 0.00 H new ATOM 0 HG3 GLN A 424 97.841 1.666 -6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 424 98.767 -1.489 -5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 424 100.324 -0.960 -4.625 1.00 0.00 H new