USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 390 SER OG : rot 45:sc= 1.86 USER MOD Set 1.2: A 393 TYR OH : rot 135:sc= 1.13 USER MOD Set 2.1: A 366 LYS NZ :NH3+ -106:sc= 0.589 (180deg=0) USER MOD Set 2.2: A 373 TYR OH : rot 30:sc= 0.517 USER MOD Set 3.1: A 346 SER OG : rot 180:sc= 0.00129 USER MOD Set 3.2: A 347 HIS : no HD1:sc= -0.49 X(o=-0.49,f=-0.11) USER MOD Single : A 345 SER OG : rot 28:sc= 0.0227 USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot 80:sc= -0.167 USER MOD Single : A 351 GLN : amide:sc= -16.7! C(o=-17!,f=-21!) USER MOD Single : A 353 SER OG : rot 180:sc= -0.506! USER MOD Single : A 354 SER OG : rot -168:sc= -0.495 USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 SER OG : rot 180:sc= 0 USER MOD Single : A 357 ASN : amide:sc= -1.64 K(o=-1.6,f=-2.7!) USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.78) USER MOD Single : A 362 ASN : amide:sc= -5.65! C(o=-5.7!,f=-4!) USER MOD Single : A 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 369 ASN : amide:sc= -2.02! K(o=-2!,f=-1) USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 ASN : amide:sc= -0.0131 K(o=-0.013,f=-0.9) USER MOD Single : A 376 TYR OH : rot 18:sc= -0.66 USER MOD Single : A 378 THR OG1 : rot -97:sc= 0.191 USER MOD Single : A 379 THR OG1 : rot 47:sc= 0.159 USER MOD Single : A 381 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.98) USER MOD Single : A 383 GLN : amide:sc= -0.587 K(o=-0.59,f=-2!) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 SER OG : rot -28:sc= 0.19 USER MOD Single : A 396 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.284) USER MOD Single : A 400 LYS NZ :NH3+ -107:sc= -3.12! (180deg=-5.85!) USER MOD Single : A 401 LYS NZ :NH3+ -160:sc= -0.0207 (180deg=-0.258) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 THR OG1 : rot -45:sc= -0.312 USER MOD Single : A 411 GLN : amide:sc= -1.59! K(o=-1.6!,f=-0.0073) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 414 ASN : amide:sc=-0.00398 K(o=-0.004,f=-0.65) USER MOD Single : A 418 LYS NZ :NH3+ -150:sc= -5.98! (180deg=-10.3!) USER MOD Single : A 422 GLN : amide:sc= -3.92! C(o=-3.9!,f=-2.6!) USER MOD Single : A 424 GLN : amide:sc= -1.69 K(o=-1.7,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 104.066 2.183 -5.555 1.00 0.00 N ATOM 322 CA SER A 345 103.146 2.608 -4.504 1.00 0.00 C ATOM 323 C SER A 345 103.694 3.827 -3.768 1.00 0.00 C ATOM 324 O SER A 345 102.955 4.536 -3.086 1.00 0.00 O ATOM 325 CB SER A 345 102.937 1.465 -3.510 1.00 0.00 C ATOM 326 OG SER A 345 102.245 0.403 -4.154 1.00 0.00 O ATOM 0 HA SER A 345 102.195 2.875 -4.964 1.00 0.00 H new ATOM 0 HB2 SER A 345 103.898 1.113 -3.135 1.00 0.00 H new ATOM 0 HB3 SER A 345 102.368 1.816 -2.649 1.00 0.00 H new ATOM 0 HG SER A 345 102.445 0.416 -5.113 1.00 0.00 H new ATOM 332 N SER A 346 104.994 4.062 -3.909 1.00 0.00 N ATOM 333 CA SER A 346 105.632 5.198 -3.252 1.00 0.00 C ATOM 334 C SER A 346 105.001 6.509 -3.710 1.00 0.00 C ATOM 335 O SER A 346 105.157 7.543 -3.062 1.00 0.00 O ATOM 336 CB SER A 346 107.128 5.211 -3.568 1.00 0.00 C ATOM 337 OG SER A 346 107.313 5.067 -4.970 1.00 0.00 O ATOM 0 H SER A 346 105.623 3.486 -4.468 1.00 0.00 H new ATOM 0 HA SER A 346 105.489 5.097 -2.176 1.00 0.00 H new ATOM 0 HB2 SER A 346 107.576 6.143 -3.224 1.00 0.00 H new ATOM 0 HB3 SER A 346 107.630 4.402 -3.038 1.00 0.00 H new ATOM 0 HG SER A 346 108.271 5.077 -5.176 1.00 0.00 H new ATOM 343 N HIS A 347 104.292 6.459 -4.832 1.00 0.00 N ATOM 344 CA HIS A 347 103.644 7.650 -5.368 1.00 0.00 C ATOM 345 C HIS A 347 102.424 8.022 -4.530 1.00 0.00 C ATOM 346 O HIS A 347 101.553 7.189 -4.281 1.00 0.00 O ATOM 347 CB HIS A 347 103.214 7.404 -6.816 1.00 0.00 C ATOM 348 CG HIS A 347 104.432 7.289 -7.690 1.00 0.00 C ATOM 349 ND1 HIS A 347 104.396 7.567 -9.047 1.00 0.00 N ATOM 350 CD2 HIS A 347 105.727 6.925 -7.415 1.00 0.00 C ATOM 351 CE1 HIS A 347 105.635 7.369 -9.534 1.00 0.00 C ATOM 352 NE2 HIS A 347 106.485 6.976 -8.581 1.00 0.00 N ATOM 0 H HIS A 347 104.152 5.613 -5.385 1.00 0.00 H new ATOM 0 HA HIS A 347 104.357 8.473 -5.335 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.620 6.492 -6.880 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.581 8.221 -7.162 1.00 0.00 H new ATOM 0 HD2 HIS A 347 106.101 6.642 -6.442 1.00 0.00 H new ATOM 0 HE1 HIS A 347 105.909 7.511 -10.569 1.00 0.00 H new ATOM 0 HE2 HIS A 347 107.476 6.760 -8.686 1.00 0.00 H new ATOM 361 N TYR A 348 102.368 9.283 -4.100 1.00 0.00 N ATOM 362 CA TYR A 348 101.248 9.771 -3.290 1.00 0.00 C ATOM 363 C TYR A 348 100.312 10.623 -4.143 1.00 0.00 C ATOM 364 O TYR A 348 100.720 11.177 -5.164 1.00 0.00 O ATOM 365 CB TYR A 348 101.779 10.611 -2.123 1.00 0.00 C ATOM 366 CG TYR A 348 102.352 9.702 -1.059 1.00 0.00 C ATOM 367 CD1 TYR A 348 103.656 9.211 -1.185 1.00 0.00 C ATOM 368 CD2 TYR A 348 101.575 9.353 0.052 1.00 0.00 C ATOM 369 CE1 TYR A 348 104.186 8.371 -0.199 1.00 0.00 C ATOM 370 CE2 TYR A 348 102.104 8.513 1.039 1.00 0.00 C ATOM 371 CZ TYR A 348 103.410 8.021 0.913 1.00 0.00 C ATOM 372 OH TYR A 348 103.931 7.193 1.886 1.00 0.00 O ATOM 0 H TYR A 348 103.082 9.984 -4.298 1.00 0.00 H new ATOM 0 HA TYR A 348 100.697 8.914 -2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 348 102.546 11.300 -2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 348 100.976 11.217 -1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 348 104.254 9.480 -2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 348 100.568 9.732 0.148 1.00 0.00 H new ATOM 0 HE1 TYR A 348 105.193 7.993 -0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 348 101.506 8.244 1.897 1.00 0.00 H new ATOM 0 HH TYR A 348 103.262 7.052 2.588 1.00 0.00 H new ATOM 382 N THR A 349 99.056 10.724 -3.717 1.00 0.00 N ATOM 383 CA THR A 349 98.066 11.514 -4.447 1.00 0.00 C ATOM 384 C THR A 349 96.967 11.994 -3.503 1.00 0.00 C ATOM 385 O THR A 349 96.009 11.274 -3.228 1.00 0.00 O ATOM 386 CB THR A 349 97.455 10.677 -5.583 1.00 0.00 C ATOM 387 OG1 THR A 349 96.424 11.427 -6.210 1.00 0.00 O ATOM 388 CG2 THR A 349 96.868 9.363 -5.037 1.00 0.00 C ATOM 0 H THR A 349 98.700 10.272 -2.875 1.00 0.00 H new ATOM 0 HA THR A 349 98.563 12.384 -4.875 1.00 0.00 H new ATOM 0 HB THR A 349 98.238 10.436 -6.302 1.00 0.00 H new ATOM 0 HG1 THR A 349 96.821 12.070 -6.835 1.00 0.00 H new ATOM 0 HG21 THR A 349 96.441 8.787 -5.858 1.00 0.00 H new ATOM 0 HG22 THR A 349 97.657 8.783 -4.558 1.00 0.00 H new ATOM 0 HG23 THR A 349 96.090 9.588 -4.308 1.00 0.00 H new ATOM 396 N LEU A 350 97.115 13.218 -3.005 1.00 0.00 N ATOM 397 CA LEU A 350 96.131 13.784 -2.089 1.00 0.00 C ATOM 398 C LEU A 350 94.736 13.720 -2.699 1.00 0.00 C ATOM 399 O LEU A 350 94.579 13.416 -3.882 1.00 0.00 O ATOM 400 CB LEU A 350 96.478 15.240 -1.769 1.00 0.00 C ATOM 401 CG LEU A 350 97.955 15.354 -1.377 1.00 0.00 C ATOM 402 CD1 LEU A 350 98.279 16.814 -1.047 1.00 0.00 C ATOM 403 CD2 LEU A 350 98.236 14.477 -0.147 1.00 0.00 C ATOM 0 H LEU A 350 97.901 13.833 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 350 96.147 13.199 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 350 96.274 15.870 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.849 15.602 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 350 98.577 15.018 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 350 99.329 16.899 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 350 98.084 17.436 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 350 97.655 17.147 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 350 99.287 14.562 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 350 97.616 14.809 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 350 98.004 13.438 -0.381 1.00 0.00 H new ATOM 415 N GLN A 351 93.721 14.004 -1.882 1.00 0.00 N ATOM 416 CA GLN A 351 92.330 13.978 -2.339 1.00 0.00 C ATOM 417 C GLN A 351 91.730 15.377 -2.299 1.00 0.00 C ATOM 418 O GLN A 351 91.772 16.054 -1.271 1.00 0.00 O ATOM 419 CB GLN A 351 91.513 13.037 -1.444 1.00 0.00 C ATOM 420 CG GLN A 351 90.007 13.126 -1.792 1.00 0.00 C ATOM 421 CD GLN A 351 89.280 14.072 -0.833 1.00 0.00 C ATOM 422 OE1 GLN A 351 89.630 15.246 -0.731 1.00 0.00 O ATOM 423 NE2 GLN A 351 88.284 13.622 -0.121 1.00 0.00 N ATOM 0 H GLN A 351 93.836 14.255 -0.900 1.00 0.00 H new ATOM 0 HA GLN A 351 92.304 13.617 -3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 351 91.861 12.012 -1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.666 13.298 -0.397 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.887 13.477 -2.817 1.00 0.00 H new ATOM 0 HG3 GLN A 351 89.558 12.134 -1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 351 87.995 12.648 -0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 351 87.794 14.245 0.522 1.00 0.00 H new ATOM 432 N LEU A 352 91.178 15.808 -3.428 1.00 0.00 N ATOM 433 CA LEU A 352 90.575 17.133 -3.519 1.00 0.00 C ATOM 434 C LEU A 352 89.271 17.181 -2.726 1.00 0.00 C ATOM 435 O LEU A 352 88.937 18.202 -2.126 1.00 0.00 O ATOM 436 CB LEU A 352 90.301 17.481 -4.987 1.00 0.00 C ATOM 437 CG LEU A 352 91.607 17.885 -5.679 1.00 0.00 C ATOM 438 CD1 LEU A 352 92.649 16.772 -5.517 1.00 0.00 C ATOM 439 CD2 LEU A 352 91.337 18.120 -7.168 1.00 0.00 C ATOM 0 H LEU A 352 91.135 15.263 -4.289 1.00 0.00 H new ATOM 0 HA LEU A 352 91.269 17.861 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 352 89.859 16.625 -5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 352 89.580 18.296 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 352 91.989 18.800 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 352 93.575 17.066 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 352 92.841 16.605 -4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 352 92.273 15.853 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 352 92.264 18.408 -7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 352 90.954 17.204 -7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 352 90.601 18.916 -7.283 1.00 0.00 H new ATOM 451 N SER A 353 88.541 16.071 -2.726 1.00 0.00 N ATOM 452 CA SER A 353 87.277 16.002 -2.002 1.00 0.00 C ATOM 453 C SER A 353 86.699 14.592 -2.050 1.00 0.00 C ATOM 454 O SER A 353 87.326 13.670 -2.570 1.00 0.00 O ATOM 455 CB SER A 353 86.274 16.984 -2.605 1.00 0.00 C ATOM 456 OG SER A 353 85.004 16.792 -1.997 1.00 0.00 O ATOM 0 H SER A 353 88.800 15.214 -3.215 1.00 0.00 H new ATOM 0 HA SER A 353 87.467 16.267 -0.962 1.00 0.00 H new ATOM 0 HB2 SER A 353 86.613 18.008 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 353 86.201 16.832 -3.682 1.00 0.00 H new ATOM 0 HG SER A 353 84.359 17.422 -2.381 1.00 0.00 H new ATOM 462 N SER A 354 85.496 14.435 -1.504 1.00 0.00 N ATOM 463 CA SER A 354 84.834 13.136 -1.487 1.00 0.00 C ATOM 464 C SER A 354 83.331 13.311 -1.295 1.00 0.00 C ATOM 465 O SER A 354 82.885 14.277 -0.675 1.00 0.00 O ATOM 466 CB SER A 354 85.399 12.276 -0.356 1.00 0.00 C ATOM 467 OG SER A 354 84.489 11.221 -0.071 1.00 0.00 O ATOM 0 H SER A 354 84.963 15.188 -1.070 1.00 0.00 H new ATOM 0 HA SER A 354 85.015 12.641 -2.441 1.00 0.00 H new ATOM 0 HB2 SER A 354 86.369 11.868 -0.643 1.00 0.00 H new ATOM 0 HB3 SER A 354 85.559 12.884 0.534 1.00 0.00 H new ATOM 0 HG SER A 354 84.747 10.784 0.767 1.00 0.00 H new ATOM 473 N SER A 355 82.551 12.375 -1.828 1.00 0.00 N ATOM 474 CA SER A 355 81.100 12.443 -1.703 1.00 0.00 C ATOM 475 C SER A 355 80.461 11.170 -2.266 1.00 0.00 C ATOM 476 O SER A 355 81.143 10.170 -2.488 1.00 0.00 O ATOM 477 CB SER A 355 80.575 13.694 -2.431 1.00 0.00 C ATOM 478 OG SER A 355 79.893 14.522 -1.498 1.00 0.00 O ATOM 0 H SER A 355 82.896 11.567 -2.346 1.00 0.00 H new ATOM 0 HA SER A 355 80.830 12.517 -0.649 1.00 0.00 H new ATOM 0 HB2 SER A 355 81.402 14.240 -2.884 1.00 0.00 H new ATOM 0 HB3 SER A 355 79.903 13.405 -3.239 1.00 0.00 H new ATOM 0 HG SER A 355 79.557 15.322 -1.954 1.00 0.00 H new ATOM 484 N SER A 356 79.148 11.215 -2.495 1.00 0.00 N ATOM 485 CA SER A 356 78.422 10.059 -3.030 1.00 0.00 C ATOM 486 C SER A 356 77.437 10.495 -4.111 1.00 0.00 C ATOM 487 O SER A 356 76.376 9.894 -4.275 1.00 0.00 O ATOM 488 CB SER A 356 77.663 9.358 -1.904 1.00 0.00 C ATOM 489 OG SER A 356 78.589 8.904 -0.926 1.00 0.00 O ATOM 0 H SER A 356 78.566 12.034 -2.320 1.00 0.00 H new ATOM 0 HA SER A 356 79.145 9.371 -3.469 1.00 0.00 H new ATOM 0 HB2 SER A 356 76.945 10.043 -1.452 1.00 0.00 H new ATOM 0 HB3 SER A 356 77.094 8.517 -2.301 1.00 0.00 H new ATOM 0 HG SER A 356 78.106 8.455 -0.201 1.00 0.00 H new ATOM 495 N ASN A 357 77.795 11.545 -4.846 1.00 0.00 N ATOM 496 CA ASN A 357 76.935 12.058 -5.912 1.00 0.00 C ATOM 497 C ASN A 357 77.773 12.680 -7.024 1.00 0.00 C ATOM 498 O ASN A 357 78.598 13.560 -6.775 1.00 0.00 O ATOM 499 CB ASN A 357 75.975 13.106 -5.347 1.00 0.00 C ATOM 500 CG ASN A 357 75.085 12.478 -4.279 1.00 0.00 C ATOM 501 OD1 ASN A 357 74.424 11.471 -4.533 1.00 0.00 O ATOM 502 ND2 ASN A 357 75.029 13.015 -3.091 1.00 0.00 N ATOM 0 H ASN A 357 78.670 12.056 -4.725 1.00 0.00 H new ATOM 0 HA ASN A 357 76.364 11.227 -6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 357 76.539 13.935 -4.920 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.361 13.517 -6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 357 74.437 12.600 -2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 357 75.577 13.849 -2.882 1.00 0.00 H new ATOM 509 N TYR A 358 77.554 12.220 -8.253 1.00 0.00 N ATOM 510 CA TYR A 358 78.294 12.741 -9.398 1.00 0.00 C ATOM 511 C TYR A 358 77.740 14.099 -9.818 1.00 0.00 C ATOM 512 O TYR A 358 78.469 15.090 -9.862 1.00 0.00 O ATOM 513 CB TYR A 358 78.200 11.759 -10.570 1.00 0.00 C ATOM 514 CG TYR A 358 78.995 12.289 -11.741 1.00 0.00 C ATOM 515 CD1 TYR A 358 78.444 13.273 -12.571 1.00 0.00 C ATOM 516 CD2 TYR A 358 80.282 11.797 -11.999 1.00 0.00 C ATOM 517 CE1 TYR A 358 79.178 13.764 -13.657 1.00 0.00 C ATOM 518 CE2 TYR A 358 81.014 12.289 -13.085 1.00 0.00 C ATOM 519 CZ TYR A 358 80.463 13.272 -13.914 1.00 0.00 C ATOM 520 OH TYR A 358 81.186 13.756 -14.984 1.00 0.00 O ATOM 0 H TYR A 358 76.875 11.493 -8.480 1.00 0.00 H new ATOM 0 HA TYR A 358 79.339 12.862 -9.111 1.00 0.00 H new ATOM 0 HB2 TYR A 358 78.581 10.783 -10.271 1.00 0.00 H new ATOM 0 HB3 TYR A 358 77.158 11.620 -10.858 1.00 0.00 H new ATOM 0 HD1 TYR A 358 77.453 13.653 -12.373 1.00 0.00 H new ATOM 0 HD2 TYR A 358 80.708 11.038 -11.360 1.00 0.00 H new ATOM 0 HE1 TYR A 358 78.753 14.523 -14.297 1.00 0.00 H new ATOM 0 HE2 TYR A 358 82.005 11.910 -13.284 1.00 0.00 H new ATOM 0 HH TYR A 358 82.058 13.309 -15.019 1.00 0.00 H new ATOM 530 N ASP A 359 76.446 14.137 -10.129 1.00 0.00 N ATOM 531 CA ASP A 359 75.802 15.378 -10.547 1.00 0.00 C ATOM 532 C ASP A 359 76.239 16.541 -9.660 1.00 0.00 C ATOM 533 O ASP A 359 76.097 17.706 -10.030 1.00 0.00 O ATOM 534 CB ASP A 359 74.281 15.227 -10.475 1.00 0.00 C ATOM 535 CG ASP A 359 73.823 14.112 -11.408 1.00 0.00 C ATOM 536 OD1 ASP A 359 74.658 13.584 -12.123 1.00 0.00 O ATOM 537 OD2 ASP A 359 72.643 13.803 -11.395 1.00 0.00 O ATOM 0 H ASP A 359 75.827 13.327 -10.099 1.00 0.00 H new ATOM 0 HA ASP A 359 76.101 15.588 -11.574 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.977 15.004 -9.452 1.00 0.00 H new ATOM 0 HB3 ASP A 359 73.801 16.165 -10.753 1.00 0.00 H new ATOM 542 N ASN A 360 76.779 16.214 -8.486 1.00 0.00 N ATOM 543 CA ASN A 360 77.244 17.233 -7.545 1.00 0.00 C ATOM 544 C ASN A 360 78.741 17.464 -7.712 1.00 0.00 C ATOM 545 O ASN A 360 79.222 18.592 -7.609 1.00 0.00 O ATOM 546 CB ASN A 360 76.958 16.785 -6.110 1.00 0.00 C ATOM 547 CG ASN A 360 77.515 17.807 -5.126 1.00 0.00 C ATOM 548 OD1 ASN A 360 78.704 17.779 -4.805 1.00 0.00 O ATOM 549 ND2 ASN A 360 76.723 18.715 -4.625 1.00 0.00 N ATOM 0 H ASN A 360 76.905 15.254 -8.164 1.00 0.00 H new ATOM 0 HA ASN A 360 76.714 18.163 -7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 360 75.884 16.673 -5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 360 77.408 15.809 -5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 360 77.088 19.403 -3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 360 75.739 18.737 -4.892 1.00 0.00 H new ATOM 556 N LEU A 361 79.470 16.385 -7.970 1.00 0.00 N ATOM 557 CA LEU A 361 80.914 16.475 -8.149 1.00 0.00 C ATOM 558 C LEU A 361 81.244 17.407 -9.310 1.00 0.00 C ATOM 559 O LEU A 361 81.989 18.373 -9.147 1.00 0.00 O ATOM 560 CB LEU A 361 81.484 15.067 -8.400 1.00 0.00 C ATOM 561 CG LEU A 361 82.996 15.104 -8.731 1.00 0.00 C ATOM 562 CD1 LEU A 361 83.253 15.573 -10.185 1.00 0.00 C ATOM 563 CD2 LEU A 361 83.730 16.025 -7.742 1.00 0.00 C ATOM 0 H LEU A 361 79.088 15.443 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 361 81.368 16.886 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 361 81.321 14.447 -7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 361 80.944 14.599 -9.223 1.00 0.00 H new ATOM 0 HG LEU A 361 83.382 14.089 -8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 361 84.326 15.586 -10.379 1.00 0.00 H new ATOM 0 HD12 LEU A 361 82.767 14.888 -10.880 1.00 0.00 H new ATOM 0 HD13 LEU A 361 82.848 16.576 -10.321 1.00 0.00 H new ATOM 0 HD21 LEU A 361 84.793 16.044 -7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 361 83.323 17.034 -7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 361 83.595 15.651 -6.727 1.00 0.00 H new ATOM 575 N ASN A 362 80.687 17.121 -10.483 1.00 0.00 N ATOM 576 CA ASN A 362 80.939 17.951 -11.656 1.00 0.00 C ATOM 577 C ASN A 362 80.644 19.416 -11.350 1.00 0.00 C ATOM 578 O ASN A 362 81.445 20.298 -11.657 1.00 0.00 O ATOM 579 CB ASN A 362 80.067 17.483 -12.825 1.00 0.00 C ATOM 580 CG ASN A 362 78.601 17.797 -12.547 1.00 0.00 C ATOM 581 OD1 ASN A 362 78.030 18.695 -13.167 1.00 0.00 O ATOM 582 ND2 ASN A 362 77.954 17.107 -11.648 1.00 0.00 N ATOM 0 H ASN A 362 80.065 16.329 -10.646 1.00 0.00 H new ATOM 0 HA ASN A 362 81.990 17.854 -11.927 1.00 0.00 H new ATOM 0 HB2 ASN A 362 80.384 17.975 -13.744 1.00 0.00 H new ATOM 0 HB3 ASN A 362 80.194 16.411 -12.977 1.00 0.00 H new ATOM 0 HD21 ASN A 362 76.973 17.311 -11.457 1.00 0.00 H new ATOM 0 HD22 ASN A 362 78.429 16.364 -11.136 1.00 0.00 H new ATOM 589 N GLY A 363 79.490 19.668 -10.739 1.00 0.00 N ATOM 590 CA GLY A 363 79.103 21.030 -10.395 1.00 0.00 C ATOM 591 C GLY A 363 80.147 21.674 -9.492 1.00 0.00 C ATOM 592 O GLY A 363 80.753 22.686 -9.847 1.00 0.00 O ATOM 0 H GLY A 363 78.813 18.953 -10.474 1.00 0.00 H new ATOM 0 HA2 GLY A 363 78.986 21.621 -11.304 1.00 0.00 H new ATOM 0 HA3 GLY A 363 78.135 21.023 -9.893 1.00 0.00 H new ATOM 596 N TRP A 364 80.353 21.081 -8.321 1.00 0.00 N ATOM 597 CA TRP A 364 81.326 21.603 -7.370 1.00 0.00 C ATOM 598 C TRP A 364 82.709 21.693 -8.012 1.00 0.00 C ATOM 599 O TRP A 364 83.463 22.631 -7.754 1.00 0.00 O ATOM 600 CB TRP A 364 81.386 20.696 -6.137 1.00 0.00 C ATOM 601 CG TRP A 364 82.465 21.168 -5.216 1.00 0.00 C ATOM 602 CD1 TRP A 364 82.384 22.258 -4.420 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.781 20.588 -4.987 1.00 0.00 C ATOM 604 NE1 TRP A 364 83.571 22.386 -3.716 1.00 0.00 N ATOM 605 CE2 TRP A 364 84.463 21.379 -4.033 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.444 19.463 -5.511 1.00 0.00 C ATOM 607 CZ2 TRP A 364 85.756 21.067 -3.613 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.745 19.146 -5.090 1.00 0.00 C ATOM 609 CH2 TRP A 364 86.400 19.946 -4.144 1.00 0.00 C ATOM 0 H TRP A 364 79.862 20.243 -8.009 1.00 0.00 H new ATOM 0 HA TRP A 364 81.015 22.603 -7.069 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.426 20.703 -5.621 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.578 19.667 -6.440 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.534 22.920 -4.345 1.00 0.00 H new ATOM 0 HE1 TRP A 364 83.763 23.131 -3.047 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.949 18.840 -6.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 86.256 21.687 -2.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 86.245 18.280 -5.498 1.00 0.00 H new ATOM 0 HH2 TRP A 364 87.401 19.697 -3.826 1.00 0.00 H new ATOM 620 N ALA A 365 83.037 20.711 -8.844 1.00 0.00 N ATOM 621 CA ALA A 365 84.334 20.689 -9.511 1.00 0.00 C ATOM 622 C ALA A 365 84.481 21.891 -10.441 1.00 0.00 C ATOM 623 O ALA A 365 85.528 22.540 -10.469 1.00 0.00 O ATOM 624 CB ALA A 365 84.492 19.391 -10.310 1.00 0.00 C ATOM 0 H ALA A 365 82.428 19.925 -9.072 1.00 0.00 H new ATOM 0 HA ALA A 365 85.113 20.740 -8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 365 85.463 19.384 -10.804 1.00 0.00 H new ATOM 0 HB2 ALA A 365 84.422 18.538 -9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.703 19.327 -11.059 1.00 0.00 H new ATOM 630 N LYS A 366 83.430 22.183 -11.200 1.00 0.00 N ATOM 631 CA LYS A 366 83.459 23.311 -12.126 1.00 0.00 C ATOM 632 C LYS A 366 83.349 24.629 -11.357 1.00 0.00 C ATOM 633 O LYS A 366 83.881 25.653 -11.787 1.00 0.00 O ATOM 634 CB LYS A 366 82.299 23.185 -13.143 1.00 0.00 C ATOM 635 CG LYS A 366 82.768 22.466 -14.419 1.00 0.00 C ATOM 636 CD LYS A 366 83.133 21.015 -14.098 1.00 0.00 C ATOM 637 CE LYS A 366 83.815 20.382 -15.313 1.00 0.00 C ATOM 638 NZ LYS A 366 84.201 18.979 -14.992 1.00 0.00 N ATOM 0 H LYS A 366 82.554 21.660 -11.193 1.00 0.00 H new ATOM 0 HA LYS A 366 84.406 23.303 -12.666 1.00 0.00 H new ATOM 0 HB2 LYS A 366 81.473 22.635 -12.693 1.00 0.00 H new ATOM 0 HB3 LYS A 366 81.922 24.176 -13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 366 81.980 22.493 -15.172 1.00 0.00 H new ATOM 0 HG3 LYS A 366 83.631 22.982 -14.841 1.00 0.00 H new ATOM 0 HD2 LYS A 366 83.797 20.978 -13.234 1.00 0.00 H new ATOM 0 HD3 LYS A 366 82.237 20.452 -13.836 1.00 0.00 H new ATOM 0 HE2 LYS A 366 83.142 20.398 -16.170 1.00 0.00 H new ATOM 0 HE3 LYS A 366 84.697 20.959 -15.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 85.230 18.925 -14.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 83.718 18.676 -14.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 83.925 18.355 -15.777 1.00 0.00 H new ATOM 652 N LYS A 367 82.658 24.599 -10.221 1.00 0.00 N ATOM 653 CA LYS A 367 82.492 25.802 -9.413 1.00 0.00 C ATOM 654 C LYS A 367 83.843 26.289 -8.899 1.00 0.00 C ATOM 655 O LYS A 367 84.262 27.408 -9.193 1.00 0.00 O ATOM 656 CB LYS A 367 81.557 25.518 -8.232 1.00 0.00 C ATOM 657 CG LYS A 367 81.264 26.822 -7.479 1.00 0.00 C ATOM 658 CD LYS A 367 80.032 26.636 -6.587 1.00 0.00 C ATOM 659 CE LYS A 367 80.296 25.523 -5.571 1.00 0.00 C ATOM 660 NZ LYS A 367 79.274 25.588 -4.488 1.00 0.00 N ATOM 0 H LYS A 367 82.209 23.765 -9.843 1.00 0.00 H new ATOM 0 HA LYS A 367 82.053 26.581 -10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 367 80.627 25.077 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 367 82.015 24.793 -7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 367 82.125 27.105 -6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 367 81.093 27.632 -8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 367 79.802 27.567 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 367 79.164 26.387 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 367 80.260 24.551 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 367 81.296 25.630 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 79.452 24.832 -3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 79.330 26.512 -4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 78.326 25.466 -4.898 1.00 0.00 H new ATOM 674 N GLU A 368 84.528 25.440 -8.136 1.00 0.00 N ATOM 675 CA GLU A 368 85.836 25.797 -7.598 1.00 0.00 C ATOM 676 C GLU A 368 86.870 25.839 -8.721 1.00 0.00 C ATOM 677 O GLU A 368 87.984 26.328 -8.535 1.00 0.00 O ATOM 678 CB GLU A 368 86.266 24.775 -6.534 1.00 0.00 C ATOM 679 CG GLU A 368 85.574 25.084 -5.203 1.00 0.00 C ATOM 680 CD GLU A 368 84.069 25.204 -5.409 1.00 0.00 C ATOM 681 OE1 GLU A 368 83.461 24.219 -5.791 1.00 0.00 O ATOM 682 OE2 GLU A 368 83.546 26.282 -5.178 1.00 0.00 O ATOM 0 H GLU A 368 84.202 24.508 -7.879 1.00 0.00 H new ATOM 0 HA GLU A 368 85.769 26.783 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 368 86.010 23.767 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 368 87.348 24.804 -6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 368 85.788 24.295 -4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 368 85.967 26.012 -4.787 1.00 0.00 H new ATOM 689 N ASN A 369 86.491 25.322 -9.885 1.00 0.00 N ATOM 690 CA ASN A 369 87.390 25.303 -11.033 1.00 0.00 C ATOM 691 C ASN A 369 88.655 24.514 -10.710 1.00 0.00 C ATOM 692 O ASN A 369 89.766 25.034 -10.815 1.00 0.00 O ATOM 693 CB ASN A 369 87.765 26.734 -11.426 1.00 0.00 C ATOM 694 CG ASN A 369 86.515 27.606 -11.475 1.00 0.00 C ATOM 695 OD1 ASN A 369 85.787 27.596 -12.467 1.00 0.00 O ATOM 696 ND2 ASN A 369 86.221 28.365 -10.454 1.00 0.00 N ATOM 0 H ASN A 369 85.573 24.913 -10.058 1.00 0.00 H new ATOM 0 HA ASN A 369 86.877 24.820 -11.865 1.00 0.00 H new ATOM 0 HB2 ASN A 369 88.476 27.143 -10.708 1.00 0.00 H new ATOM 0 HB3 ASN A 369 88.258 26.736 -12.398 1.00 0.00 H new ATOM 0 HD21 ASN A 369 85.387 28.951 -10.478 1.00 0.00 H new ATOM 0 HD22 ASN A 369 86.826 28.372 -9.633 1.00 0.00 H new ATOM 703 N LEU A 370 88.480 23.254 -10.322 1.00 0.00 N ATOM 704 CA LEU A 370 89.618 22.403 -9.992 1.00 0.00 C ATOM 705 C LEU A 370 90.552 22.284 -11.191 1.00 0.00 C ATOM 706 O LEU A 370 90.168 21.768 -12.240 1.00 0.00 O ATOM 707 CB LEU A 370 89.138 21.008 -9.576 1.00 0.00 C ATOM 708 CG LEU A 370 88.016 21.122 -8.537 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.468 19.725 -8.227 1.00 0.00 C ATOM 710 CD2 LEU A 370 88.563 21.753 -7.250 1.00 0.00 C ATOM 0 H LEU A 370 87.570 22.803 -10.229 1.00 0.00 H new ATOM 0 HA LEU A 370 90.157 22.857 -9.161 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.781 20.463 -10.450 1.00 0.00 H new ATOM 0 HB3 LEU A 370 89.970 20.437 -9.163 1.00 0.00 H new ATOM 0 HG LEU A 370 87.218 21.750 -8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 370 86.670 19.803 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 370 87.075 19.277 -9.140 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.268 19.100 -7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 370 87.762 21.832 -6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.363 21.129 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 370 88.953 22.747 -7.469 1.00 0.00 H new ATOM 722 N LYS A 371 91.781 22.766 -11.029 1.00 0.00 N ATOM 723 CA LYS A 371 92.766 22.712 -12.107 1.00 0.00 C ATOM 724 C LYS A 371 93.480 21.363 -12.114 1.00 0.00 C ATOM 725 O LYS A 371 93.768 20.797 -11.059 1.00 0.00 O ATOM 726 CB LYS A 371 93.795 23.837 -11.930 1.00 0.00 C ATOM 727 CG LYS A 371 94.547 24.085 -13.253 1.00 0.00 C ATOM 728 CD LYS A 371 93.766 25.075 -14.128 1.00 0.00 C ATOM 729 CE LYS A 371 94.558 25.358 -15.406 1.00 0.00 C ATOM 730 NZ LYS A 371 93.787 26.296 -16.270 1.00 0.00 N ATOM 0 H LYS A 371 92.118 23.196 -10.168 1.00 0.00 H new ATOM 0 HA LYS A 371 92.246 22.839 -13.057 1.00 0.00 H new ATOM 0 HB2 LYS A 371 93.294 24.751 -11.611 1.00 0.00 H new ATOM 0 HB3 LYS A 371 94.503 23.572 -11.145 1.00 0.00 H new ATOM 0 HG2 LYS A 371 95.542 24.478 -13.046 1.00 0.00 H new ATOM 0 HG3 LYS A 371 94.680 23.144 -13.786 1.00 0.00 H new ATOM 0 HD2 LYS A 371 92.788 24.664 -14.377 1.00 0.00 H new ATOM 0 HD3 LYS A 371 93.593 26.002 -13.582 1.00 0.00 H new ATOM 0 HE2 LYS A 371 95.528 25.789 -15.158 1.00 0.00 H new ATOM 0 HE3 LYS A 371 94.750 24.428 -15.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 94.325 26.489 -17.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 92.872 25.868 -16.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 93.626 27.187 -15.758 1.00 0.00 H new ATOM 744 N ASN A 372 93.762 20.855 -13.309 1.00 0.00 N ATOM 745 CA ASN A 372 94.441 19.572 -13.441 1.00 0.00 C ATOM 746 C ASN A 372 93.764 18.519 -12.572 1.00 0.00 C ATOM 747 O ASN A 372 94.160 18.296 -11.429 1.00 0.00 O ATOM 748 CB ASN A 372 95.908 19.712 -13.028 1.00 0.00 C ATOM 749 CG ASN A 372 96.607 18.359 -13.125 1.00 0.00 C ATOM 750 OD1 ASN A 372 96.265 17.542 -13.981 1.00 0.00 O ATOM 751 ND2 ASN A 372 97.573 18.073 -12.295 1.00 0.00 N ATOM 0 H ASN A 372 93.533 21.308 -14.194 1.00 0.00 H new ATOM 0 HA ASN A 372 94.387 19.258 -14.483 1.00 0.00 H new ATOM 0 HB2 ASN A 372 96.408 20.436 -13.671 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.973 20.092 -12.009 1.00 0.00 H new ATOM 0 HD21 ASN A 372 98.046 17.171 -12.354 1.00 0.00 H new ATOM 0 HD22 ASN A 372 97.855 18.751 -11.587 1.00 0.00 H new ATOM 758 N TYR A 373 92.739 17.875 -13.123 1.00 0.00 N ATOM 759 CA TYR A 373 92.007 16.846 -12.390 1.00 0.00 C ATOM 760 C TYR A 373 91.358 15.862 -13.357 1.00 0.00 C ATOM 761 O TYR A 373 91.199 16.154 -14.543 1.00 0.00 O ATOM 762 CB TYR A 373 90.930 17.493 -11.518 1.00 0.00 C ATOM 763 CG TYR A 373 89.877 18.126 -12.401 1.00 0.00 C ATOM 764 CD1 TYR A 373 90.170 19.296 -13.110 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.608 17.541 -12.511 1.00 0.00 C ATOM 766 CE1 TYR A 373 89.197 19.882 -13.928 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.635 18.127 -13.329 1.00 0.00 C ATOM 768 CZ TYR A 373 87.929 19.298 -14.038 1.00 0.00 C ATOM 769 OH TYR A 373 86.970 19.875 -14.845 1.00 0.00 O ATOM 0 H TYR A 373 92.398 18.046 -14.069 1.00 0.00 H new ATOM 0 HA TYR A 373 92.711 16.306 -11.756 1.00 0.00 H new ATOM 0 HB2 TYR A 373 90.474 16.745 -10.870 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.377 18.247 -10.869 1.00 0.00 H new ATOM 0 HD1 TYR A 373 91.148 19.747 -13.026 1.00 0.00 H new ATOM 0 HD2 TYR A 373 88.381 16.638 -11.964 1.00 0.00 H new ATOM 0 HE1 TYR A 373 89.424 20.785 -14.475 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.657 17.676 -13.413 1.00 0.00 H new ATOM 0 HH TYR A 373 87.406 20.338 -15.591 1.00 0.00 H new ATOM 779 N VAL A 374 90.986 14.691 -12.841 1.00 0.00 N ATOM 780 CA VAL A 374 90.353 13.659 -13.663 1.00 0.00 C ATOM 781 C VAL A 374 89.241 12.966 -12.884 1.00 0.00 C ATOM 782 O VAL A 374 89.474 12.413 -11.808 1.00 0.00 O ATOM 783 CB VAL A 374 91.395 12.625 -14.091 1.00 0.00 C ATOM 784 CG1 VAL A 374 90.807 11.724 -15.178 1.00 0.00 C ATOM 785 CG2 VAL A 374 92.630 13.345 -14.641 1.00 0.00 C ATOM 0 H VAL A 374 91.111 14.433 -11.862 1.00 0.00 H new ATOM 0 HA VAL A 374 89.925 14.133 -14.546 1.00 0.00 H new ATOM 0 HB VAL A 374 91.678 12.018 -13.231 1.00 0.00 H new ATOM 0 HG11 VAL A 374 91.551 10.988 -15.482 1.00 0.00 H new ATOM 0 HG12 VAL A 374 89.927 11.212 -14.789 1.00 0.00 H new ATOM 0 HG13 VAL A 374 90.523 12.330 -16.039 1.00 0.00 H new ATOM 0 HG21 VAL A 374 93.374 12.609 -14.947 1.00 0.00 H new ATOM 0 HG22 VAL A 374 92.345 13.951 -15.501 1.00 0.00 H new ATOM 0 HG23 VAL A 374 93.051 13.987 -13.868 1.00 0.00 H new ATOM 795 N VAL A 375 88.030 12.996 -13.438 1.00 0.00 N ATOM 796 CA VAL A 375 86.878 12.365 -12.795 1.00 0.00 C ATOM 797 C VAL A 375 86.688 10.947 -13.326 1.00 0.00 C ATOM 798 O VAL A 375 86.714 10.722 -14.536 1.00 0.00 O ATOM 799 CB VAL A 375 85.616 13.184 -13.077 1.00 0.00 C ATOM 800 CG1 VAL A 375 84.491 12.725 -12.148 1.00 0.00 C ATOM 801 CG2 VAL A 375 85.907 14.666 -12.832 1.00 0.00 C ATOM 0 H VAL A 375 87.821 13.449 -14.328 1.00 0.00 H new ATOM 0 HA VAL A 375 87.056 12.324 -11.720 1.00 0.00 H new ATOM 0 HB VAL A 375 85.312 13.039 -14.114 1.00 0.00 H new ATOM 0 HG11 VAL A 375 83.592 13.308 -12.349 1.00 0.00 H new ATOM 0 HG12 VAL A 375 84.284 11.669 -12.321 1.00 0.00 H new ATOM 0 HG13 VAL A 375 84.793 12.870 -11.111 1.00 0.00 H new ATOM 0 HG21 VAL A 375 85.009 15.251 -13.032 1.00 0.00 H new ATOM 0 HG22 VAL A 375 86.211 14.811 -11.795 1.00 0.00 H new ATOM 0 HG23 VAL A 375 86.709 14.994 -13.494 1.00 0.00 H new ATOM 811 N TYR A 376 86.497 9.992 -12.417 1.00 0.00 N ATOM 812 CA TYR A 376 86.304 8.598 -12.814 1.00 0.00 C ATOM 813 C TYR A 376 85.455 7.858 -11.787 1.00 0.00 C ATOM 814 O TYR A 376 85.076 8.419 -10.762 1.00 0.00 O ATOM 815 CB TYR A 376 87.658 7.898 -12.959 1.00 0.00 C ATOM 816 CG TYR A 376 88.465 8.084 -11.695 1.00 0.00 C ATOM 817 CD1 TYR A 376 89.042 9.327 -11.414 1.00 0.00 C ATOM 818 CD2 TYR A 376 88.641 7.014 -10.806 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.794 9.503 -10.245 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.392 7.190 -9.637 1.00 0.00 C ATOM 821 CZ TYR A 376 89.968 8.434 -9.357 1.00 0.00 C ATOM 822 OH TYR A 376 90.708 8.609 -8.206 1.00 0.00 O ATOM 0 H TYR A 376 86.472 10.155 -11.410 1.00 0.00 H new ATOM 0 HA TYR A 376 85.786 8.586 -13.773 1.00 0.00 H new ATOM 0 HB2 TYR A 376 87.510 6.836 -13.155 1.00 0.00 H new ATOM 0 HB3 TYR A 376 88.200 8.307 -13.812 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.908 10.151 -12.099 1.00 0.00 H new ATOM 0 HD2 TYR A 376 88.197 6.054 -11.023 1.00 0.00 H new ATOM 0 HE1 TYR A 376 90.239 10.463 -10.029 1.00 0.00 H new ATOM 0 HE2 TYR A 376 89.526 6.366 -8.952 1.00 0.00 H new ATOM 0 HH TYR A 376 90.793 9.566 -8.014 1.00 0.00 H new ATOM 832 N GLU A 377 85.163 6.593 -12.072 1.00 0.00 N ATOM 833 CA GLU A 377 84.356 5.781 -11.166 1.00 0.00 C ATOM 834 C GLU A 377 85.213 5.241 -10.027 1.00 0.00 C ATOM 835 O GLU A 377 86.334 4.782 -10.244 1.00 0.00 O ATOM 836 CB GLU A 377 83.725 4.618 -11.931 1.00 0.00 C ATOM 837 CG GLU A 377 84.823 3.682 -12.439 1.00 0.00 C ATOM 838 CD GLU A 377 84.251 2.720 -13.474 1.00 0.00 C ATOM 839 OE1 GLU A 377 83.715 1.699 -13.071 1.00 0.00 O ATOM 840 OE2 GLU A 377 84.355 3.015 -14.652 1.00 0.00 O ATOM 0 H GLU A 377 85.470 6.110 -12.916 1.00 0.00 H new ATOM 0 HA GLU A 377 83.569 6.408 -10.747 1.00 0.00 H new ATOM 0 HB2 GLU A 377 83.039 4.072 -11.283 1.00 0.00 H new ATOM 0 HB3 GLU A 377 83.139 4.996 -12.769 1.00 0.00 H new ATOM 0 HG2 GLU A 377 85.633 4.264 -12.880 1.00 0.00 H new ATOM 0 HG3 GLU A 377 85.249 3.122 -11.606 1.00 0.00 H new ATOM 847 N THR A 378 84.678 5.305 -8.809 1.00 0.00 N ATOM 848 CA THR A 378 85.399 4.826 -7.630 1.00 0.00 C ATOM 849 C THR A 378 84.416 4.216 -6.627 1.00 0.00 C ATOM 850 O THR A 378 83.223 4.101 -6.908 1.00 0.00 O ATOM 851 CB THR A 378 86.163 6.007 -6.988 1.00 0.00 C ATOM 852 OG1 THR A 378 86.426 6.982 -7.986 1.00 0.00 O ATOM 853 CG2 THR A 378 87.497 5.535 -6.385 1.00 0.00 C ATOM 0 H THR A 378 83.751 5.682 -8.612 1.00 0.00 H new ATOM 0 HA THR A 378 86.112 4.055 -7.924 1.00 0.00 H new ATOM 0 HB THR A 378 85.550 6.428 -6.191 1.00 0.00 H new ATOM 0 HG1 THR A 378 87.337 6.863 -8.328 1.00 0.00 H new ATOM 0 HG21 THR A 378 88.016 6.384 -5.940 1.00 0.00 H new ATOM 0 HG22 THR A 378 87.304 4.784 -5.618 1.00 0.00 H new ATOM 0 HG23 THR A 378 88.118 5.102 -7.169 1.00 0.00 H new ATOM 861 N THR A 379 84.924 3.831 -5.458 1.00 0.00 N ATOM 862 CA THR A 379 84.088 3.237 -4.415 1.00 0.00 C ATOM 863 C THR A 379 84.525 3.733 -3.042 1.00 0.00 C ATOM 864 O THR A 379 85.613 3.406 -2.570 1.00 0.00 O ATOM 865 CB THR A 379 84.198 1.708 -4.462 1.00 0.00 C ATOM 866 OG1 THR A 379 85.557 1.338 -4.635 1.00 0.00 O ATOM 867 CG2 THR A 379 83.368 1.166 -5.628 1.00 0.00 C ATOM 0 H THR A 379 85.909 3.919 -5.209 1.00 0.00 H new ATOM 0 HA THR A 379 83.053 3.532 -4.590 1.00 0.00 H new ATOM 0 HB THR A 379 83.822 1.290 -3.528 1.00 0.00 H new ATOM 0 HG1 THR A 379 86.116 1.844 -4.009 1.00 0.00 H new ATOM 0 HG21 THR A 379 83.449 0.079 -5.658 1.00 0.00 H new ATOM 0 HG22 THR A 379 82.324 1.449 -5.494 1.00 0.00 H new ATOM 0 HG23 THR A 379 83.739 1.583 -6.564 1.00 0.00 H new ATOM 875 N ARG A 380 83.665 4.523 -2.404 1.00 0.00 N ATOM 876 CA ARG A 380 83.962 5.064 -1.080 1.00 0.00 C ATOM 877 C ARG A 380 82.695 5.097 -0.233 1.00 0.00 C ATOM 878 O ARG A 380 81.630 5.489 -0.710 1.00 0.00 O ATOM 879 CB ARG A 380 84.531 6.479 -1.213 1.00 0.00 C ATOM 880 CG ARG A 380 85.201 6.893 0.099 1.00 0.00 C ATOM 881 CD ARG A 380 85.906 8.237 -0.091 1.00 0.00 C ATOM 882 NE ARG A 380 86.918 8.131 -1.136 1.00 0.00 N ATOM 883 CZ ARG A 380 88.029 7.425 -0.947 1.00 0.00 C ATOM 884 NH1 ARG A 380 88.231 6.815 0.188 1.00 0.00 N ATOM 885 NH2 ARG A 380 88.919 7.343 -1.898 1.00 0.00 N ATOM 0 H ARG A 380 82.759 4.802 -2.781 1.00 0.00 H new ATOM 0 HA ARG A 380 84.699 4.424 -0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 380 85.254 6.515 -2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 380 83.734 7.180 -1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 380 84.457 6.969 0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 380 85.919 6.134 0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 380 85.178 9.004 -0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 380 86.370 8.548 0.845 1.00 0.00 H new ATOM 0 HE ARG A 380 86.771 8.606 -2.026 1.00 0.00 H new ATOM 0 HH11 ARG A 380 87.536 6.879 0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 380 89.084 6.274 0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 380 88.762 7.820 -2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 380 89.771 6.802 -1.754 1.00 0.00 H new ATOM 899 N ASN A 381 82.812 4.674 1.021 1.00 0.00 N ATOM 900 CA ASN A 381 81.664 4.652 1.921 1.00 0.00 C ATOM 901 C ASN A 381 80.601 3.691 1.397 1.00 0.00 C ATOM 902 O ASN A 381 79.429 4.049 1.277 1.00 0.00 O ATOM 903 CB ASN A 381 81.071 6.057 2.053 1.00 0.00 C ATOM 904 CG ASN A 381 82.189 7.084 2.183 1.00 0.00 C ATOM 905 OD1 ASN A 381 82.128 8.152 1.572 1.00 0.00 O ATOM 906 ND2 ASN A 381 83.216 6.825 2.947 1.00 0.00 N ATOM 0 H ASN A 381 83.684 4.344 1.436 1.00 0.00 H new ATOM 0 HA ASN A 381 81.997 4.312 2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 381 80.456 6.285 1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 381 80.419 6.105 2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 381 83.969 7.507 3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 381 83.265 5.940 3.452 1.00 0.00 H new ATOM 913 N GLY A 382 81.020 2.466 1.089 1.00 0.00 N ATOM 914 CA GLY A 382 80.100 1.452 0.581 1.00 0.00 C ATOM 915 C GLY A 382 79.104 2.056 -0.405 1.00 0.00 C ATOM 916 O GLY A 382 77.918 1.720 -0.389 1.00 0.00 O ATOM 0 H GLY A 382 81.986 2.152 1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 382 80.664 0.658 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 382 79.562 0.996 1.412 1.00 0.00 H new ATOM 920 N GLN A 383 79.590 2.949 -1.263 1.00 0.00 N ATOM 921 CA GLN A 383 78.732 3.594 -2.252 1.00 0.00 C ATOM 922 C GLN A 383 79.580 4.186 -3.390 1.00 0.00 C ATOM 923 O GLN A 383 80.439 5.029 -3.135 1.00 0.00 O ATOM 924 CB GLN A 383 77.934 4.715 -1.584 1.00 0.00 C ATOM 925 CG GLN A 383 76.804 5.160 -2.515 1.00 0.00 C ATOM 926 CD GLN A 383 75.941 6.210 -1.823 1.00 0.00 C ATOM 927 OE1 GLN A 383 76.170 6.533 -0.658 1.00 0.00 O ATOM 928 NE2 GLN A 383 74.956 6.765 -2.475 1.00 0.00 N ATOM 0 H GLN A 383 80.567 3.241 -1.294 1.00 0.00 H new ATOM 0 HA GLN A 383 78.051 2.849 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 383 77.523 4.369 -0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 383 78.588 5.558 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 383 77.220 5.569 -3.436 1.00 0.00 H new ATOM 0 HG3 GLN A 383 76.193 4.302 -2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 383 74.768 6.496 -3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 383 74.374 7.468 -2.019 1.00 0.00 H new ATOM 937 N PRO A 384 79.373 3.782 -4.631 1.00 0.00 N ATOM 938 CA PRO A 384 80.164 4.321 -5.777 1.00 0.00 C ATOM 939 C PRO A 384 80.398 5.828 -5.669 1.00 0.00 C ATOM 940 O PRO A 384 79.460 6.602 -5.478 1.00 0.00 O ATOM 941 CB PRO A 384 79.297 3.980 -6.992 1.00 0.00 C ATOM 942 CG PRO A 384 78.594 2.716 -6.611 1.00 0.00 C ATOM 943 CD PRO A 384 78.385 2.782 -5.090 1.00 0.00 C ATOM 0 HA PRO A 384 81.166 3.894 -5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 384 78.587 4.778 -7.209 1.00 0.00 H new ATOM 0 HB3 PRO A 384 79.905 3.842 -7.886 1.00 0.00 H new ATOM 0 HG2 PRO A 384 77.640 2.629 -7.131 1.00 0.00 H new ATOM 0 HG3 PRO A 384 79.187 1.843 -6.885 1.00 0.00 H new ATOM 0 HD2 PRO A 384 77.368 3.084 -4.841 1.00 0.00 H new ATOM 0 HD3 PRO A 384 78.554 1.812 -4.622 1.00 0.00 H new ATOM 951 N TRP A 385 81.661 6.234 -5.800 1.00 0.00 N ATOM 952 CA TRP A 385 82.033 7.650 -5.725 1.00 0.00 C ATOM 953 C TRP A 385 83.030 7.977 -6.835 1.00 0.00 C ATOM 954 O TRP A 385 83.581 7.077 -7.470 1.00 0.00 O ATOM 955 CB TRP A 385 82.639 7.950 -4.341 1.00 0.00 C ATOM 956 CG TRP A 385 83.367 9.263 -4.347 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.684 9.414 -4.077 1.00 0.00 C ATOM 958 CD2 TRP A 385 82.852 10.602 -4.625 1.00 0.00 C ATOM 959 NE1 TRP A 385 85.011 10.754 -4.174 1.00 0.00 N ATOM 960 CE2 TRP A 385 83.918 11.526 -4.510 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.580 11.099 -4.965 1.00 0.00 C ATOM 962 CZ2 TRP A 385 83.731 12.893 -4.724 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.389 12.476 -5.181 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.463 13.370 -5.061 1.00 0.00 C ATOM 0 H TRP A 385 82.446 5.602 -5.959 1.00 0.00 H new ATOM 0 HA TRP A 385 81.148 8.272 -5.860 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.849 7.971 -3.591 1.00 0.00 H new ATOM 0 HB3 TRP A 385 83.325 7.151 -4.059 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.369 8.617 -3.826 1.00 0.00 H new ATOM 0 HE1 TRP A 385 85.947 11.127 -4.016 1.00 0.00 H new ATOM 0 HE3 TRP A 385 80.746 10.420 -5.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.562 13.577 -4.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.409 12.847 -5.441 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.309 14.426 -5.229 1.00 0.00 H new ATOM 975 N TYR A 386 83.264 9.269 -7.059 1.00 0.00 N ATOM 976 CA TYR A 386 84.200 9.720 -8.089 1.00 0.00 C ATOM 977 C TYR A 386 85.201 10.698 -7.477 1.00 0.00 C ATOM 978 O TYR A 386 85.026 11.915 -7.563 1.00 0.00 O ATOM 979 CB TYR A 386 83.430 10.407 -9.226 1.00 0.00 C ATOM 980 CG TYR A 386 82.155 9.642 -9.508 1.00 0.00 C ATOM 981 CD1 TYR A 386 81.091 9.699 -8.598 1.00 0.00 C ATOM 982 CD2 TYR A 386 82.034 8.879 -10.677 1.00 0.00 C ATOM 983 CE1 TYR A 386 79.910 8.994 -8.857 1.00 0.00 C ATOM 984 CE2 TYR A 386 80.852 8.174 -10.935 1.00 0.00 C ATOM 985 CZ TYR A 386 79.790 8.232 -10.025 1.00 0.00 C ATOM 986 OH TYR A 386 78.625 7.537 -10.279 1.00 0.00 O ATOM 0 H TYR A 386 82.817 10.024 -6.540 1.00 0.00 H new ATOM 0 HA TYR A 386 84.736 8.860 -8.491 1.00 0.00 H new ATOM 0 HB2 TYR A 386 83.196 11.436 -8.951 1.00 0.00 H new ATOM 0 HB3 TYR A 386 84.047 10.449 -10.123 1.00 0.00 H new ATOM 0 HD1 TYR A 386 81.182 10.287 -7.697 1.00 0.00 H new ATOM 0 HD2 TYR A 386 82.853 8.835 -11.380 1.00 0.00 H new ATOM 0 HE1 TYR A 386 79.090 9.038 -8.155 1.00 0.00 H new ATOM 0 HE2 TYR A 386 80.760 7.586 -11.836 1.00 0.00 H new ATOM 0 HH TYR A 386 78.707 7.061 -11.132 1.00 0.00 H new ATOM 996 N VAL A 387 86.242 10.161 -6.849 1.00 0.00 N ATOM 997 CA VAL A 387 87.256 10.996 -6.214 1.00 0.00 C ATOM 998 C VAL A 387 88.270 11.483 -7.238 1.00 0.00 C ATOM 999 O VAL A 387 88.762 10.711 -8.061 1.00 0.00 O ATOM 1000 CB VAL A 387 87.972 10.208 -5.115 1.00 0.00 C ATOM 1001 CG1 VAL A 387 88.634 8.967 -5.720 1.00 0.00 C ATOM 1002 CG2 VAL A 387 89.040 11.093 -4.466 1.00 0.00 C ATOM 0 H VAL A 387 86.405 9.158 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 387 86.760 11.861 -5.774 1.00 0.00 H new ATOM 0 HB VAL A 387 87.248 9.899 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 387 89.143 8.407 -4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 387 87.873 8.336 -6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 387 89.358 9.273 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.550 10.532 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 387 89.763 11.403 -5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 387 88.568 11.974 -4.032 1.00 0.00 H new ATOM 1012 N LEU A 388 88.568 12.778 -7.184 1.00 0.00 N ATOM 1013 CA LEU A 388 89.517 13.385 -8.112 1.00 0.00 C ATOM 1014 C LEU A 388 90.932 13.343 -7.540 1.00 0.00 C ATOM 1015 O LEU A 388 91.127 13.093 -6.351 1.00 0.00 O ATOM 1016 CB LEU A 388 89.111 14.840 -8.369 1.00 0.00 C ATOM 1017 CG LEU A 388 87.933 14.892 -9.347 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.807 13.981 -8.852 1.00 0.00 C ATOM 1019 CD2 LEU A 388 87.421 16.332 -9.440 1.00 0.00 C ATOM 0 H LEU A 388 88.166 13.427 -6.508 1.00 0.00 H new ATOM 0 HA LEU A 388 89.504 12.824 -9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.836 15.320 -7.430 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.956 15.395 -8.775 1.00 0.00 H new ATOM 0 HG LEU A 388 88.261 14.553 -10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 388 85.972 14.022 -9.551 1.00 0.00 H new ATOM 0 HD12 LEU A 388 87.172 12.956 -8.782 1.00 0.00 H new ATOM 0 HD13 LEU A 388 86.474 14.315 -7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 388 86.582 16.376 -10.135 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.094 16.666 -8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 388 88.221 16.980 -9.796 1.00 0.00 H new ATOM 1031 N VAL A 389 91.914 13.591 -8.402 1.00 0.00 N ATOM 1032 CA VAL A 389 93.316 13.586 -7.989 1.00 0.00 C ATOM 1033 C VAL A 389 94.128 14.528 -8.872 1.00 0.00 C ATOM 1034 O VAL A 389 93.972 14.537 -10.094 1.00 0.00 O ATOM 1035 CB VAL A 389 93.889 12.169 -8.090 1.00 0.00 C ATOM 1036 CG1 VAL A 389 93.329 11.301 -6.960 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.498 11.559 -9.439 1.00 0.00 C ATOM 0 H VAL A 389 91.766 13.798 -9.390 1.00 0.00 H new ATOM 0 HA VAL A 389 93.375 13.925 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 389 94.975 12.213 -8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.740 10.294 -7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.605 11.733 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 389 92.243 11.257 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 389 93.904 10.550 -9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.412 11.519 -9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 389 93.899 12.173 -10.246 1.00 0.00 H new ATOM 1047 N SER A 390 94.995 15.320 -8.248 1.00 0.00 N ATOM 1048 CA SER A 390 95.829 16.264 -8.988 1.00 0.00 C ATOM 1049 C SER A 390 97.080 15.571 -9.521 1.00 0.00 C ATOM 1050 O SER A 390 98.094 15.482 -8.829 1.00 0.00 O ATOM 1051 CB SER A 390 96.237 17.422 -8.077 1.00 0.00 C ATOM 1052 OG SER A 390 96.887 16.905 -6.924 1.00 0.00 O ATOM 0 H SER A 390 95.139 15.328 -7.238 1.00 0.00 H new ATOM 0 HA SER A 390 95.253 16.647 -9.830 1.00 0.00 H new ATOM 0 HB2 SER A 390 96.902 18.102 -8.609 1.00 0.00 H new ATOM 0 HB3 SER A 390 95.359 17.998 -7.786 1.00 0.00 H new ATOM 0 HG SER A 390 97.526 16.211 -7.192 1.00 0.00 H new ATOM 1058 N GLY A 391 96.998 15.082 -10.754 1.00 0.00 N ATOM 1059 CA GLY A 391 98.131 14.400 -11.369 1.00 0.00 C ATOM 1060 C GLY A 391 98.757 13.402 -10.403 1.00 0.00 C ATOM 1061 O GLY A 391 98.097 12.468 -9.945 1.00 0.00 O ATOM 0 H GLY A 391 96.167 15.144 -11.342 1.00 0.00 H new ATOM 0 HA2 GLY A 391 97.803 13.882 -12.270 1.00 0.00 H new ATOM 0 HA3 GLY A 391 98.878 15.132 -11.676 1.00 0.00 H new ATOM 1065 N VAL A 392 100.035 13.605 -10.094 1.00 0.00 N ATOM 1066 CA VAL A 392 100.744 12.717 -9.177 1.00 0.00 C ATOM 1067 C VAL A 392 101.945 13.430 -8.563 1.00 0.00 C ATOM 1068 O VAL A 392 102.510 14.344 -9.165 1.00 0.00 O ATOM 1069 CB VAL A 392 101.216 11.467 -9.922 1.00 0.00 C ATOM 1070 CG1 VAL A 392 102.266 11.860 -10.963 1.00 0.00 C ATOM 1071 CG2 VAL A 392 101.833 10.484 -8.924 1.00 0.00 C ATOM 0 H VAL A 392 100.598 14.372 -10.462 1.00 0.00 H new ATOM 0 HA VAL A 392 100.060 12.428 -8.379 1.00 0.00 H new ATOM 0 HB VAL A 392 100.368 10.998 -10.420 1.00 0.00 H new ATOM 0 HG11 VAL A 392 102.603 10.970 -11.494 1.00 0.00 H new ATOM 0 HG12 VAL A 392 101.829 12.563 -11.673 1.00 0.00 H new ATOM 0 HG13 VAL A 392 103.115 12.328 -10.465 1.00 0.00 H new ATOM 0 HG21 VAL A 392 102.170 9.592 -9.453 1.00 0.00 H new ATOM 0 HG22 VAL A 392 102.682 10.954 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 392 101.087 10.204 -8.180 1.00 0.00 H new ATOM 1081 N TYR A 393 102.331 13.004 -7.360 1.00 0.00 N ATOM 1082 CA TYR A 393 103.471 13.602 -6.658 1.00 0.00 C ATOM 1083 C TYR A 393 104.589 12.578 -6.490 1.00 0.00 C ATOM 1084 O TYR A 393 104.346 11.438 -6.094 1.00 0.00 O ATOM 1085 CB TYR A 393 103.028 14.104 -5.283 1.00 0.00 C ATOM 1086 CG TYR A 393 101.980 15.180 -5.453 1.00 0.00 C ATOM 1087 CD1 TYR A 393 102.349 16.447 -5.921 1.00 0.00 C ATOM 1088 CD2 TYR A 393 100.639 14.910 -5.145 1.00 0.00 C ATOM 1089 CE1 TYR A 393 101.380 17.444 -6.081 1.00 0.00 C ATOM 1090 CE2 TYR A 393 99.670 15.909 -5.305 1.00 0.00 C ATOM 1091 CZ TYR A 393 100.041 17.175 -5.773 1.00 0.00 C ATOM 1092 OH TYR A 393 99.086 18.158 -5.931 1.00 0.00 O ATOM 0 H TYR A 393 101.873 12.248 -6.851 1.00 0.00 H new ATOM 0 HA TYR A 393 103.843 14.439 -7.249 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.626 13.279 -4.695 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.884 14.498 -4.735 1.00 0.00 H new ATOM 0 HD1 TYR A 393 103.382 16.655 -6.159 1.00 0.00 H new ATOM 0 HD2 TYR A 393 100.353 13.933 -4.785 1.00 0.00 H new ATOM 0 HE1 TYR A 393 101.665 18.421 -6.442 1.00 0.00 H new ATOM 0 HE2 TYR A 393 98.637 15.702 -5.067 1.00 0.00 H new ATOM 0 HH TYR A 393 98.300 17.781 -6.378 1.00 0.00 H new ATOM 1102 N ALA A 394 105.815 12.993 -6.794 1.00 0.00 N ATOM 1103 CA ALA A 394 106.964 12.101 -6.674 1.00 0.00 C ATOM 1104 C ALA A 394 107.336 11.897 -5.209 1.00 0.00 C ATOM 1105 O ALA A 394 108.002 10.923 -4.858 1.00 0.00 O ATOM 1106 CB ALA A 394 108.159 12.686 -7.429 1.00 0.00 C ATOM 0 H ALA A 394 106.038 13.933 -7.122 1.00 0.00 H new ATOM 0 HA ALA A 394 106.697 11.136 -7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 394 109.013 12.015 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 394 107.903 12.802 -8.482 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.414 13.659 -7.009 1.00 0.00 H new ATOM 1112 N SER A 395 106.902 12.820 -4.357 1.00 0.00 N ATOM 1113 CA SER A 395 107.197 12.730 -2.931 1.00 0.00 C ATOM 1114 C SER A 395 106.208 13.566 -2.126 1.00 0.00 C ATOM 1115 O SER A 395 105.546 14.454 -2.666 1.00 0.00 O ATOM 1116 CB SER A 395 108.620 13.219 -2.660 1.00 0.00 C ATOM 1117 OG SER A 395 109.515 12.573 -3.555 1.00 0.00 O ATOM 0 H SER A 395 106.349 13.634 -4.626 1.00 0.00 H new ATOM 0 HA SER A 395 107.107 11.687 -2.626 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.676 14.300 -2.788 1.00 0.00 H new ATOM 0 HB3 SER A 395 108.901 13.005 -1.629 1.00 0.00 H new ATOM 0 HG SER A 395 109.150 11.699 -3.809 1.00 0.00 H new ATOM 1123 N LYS A 396 106.111 13.278 -0.833 1.00 0.00 N ATOM 1124 CA LYS A 396 105.198 14.009 0.037 1.00 0.00 C ATOM 1125 C LYS A 396 105.717 15.423 0.289 1.00 0.00 C ATOM 1126 O LYS A 396 105.129 16.182 1.059 1.00 0.00 O ATOM 1127 CB LYS A 396 105.041 13.266 1.374 1.00 0.00 C ATOM 1128 CG LYS A 396 104.101 12.057 1.201 1.00 0.00 C ATOM 1129 CD LYS A 396 102.630 12.488 1.378 1.00 0.00 C ATOM 1130 CE LYS A 396 102.247 12.463 2.864 1.00 0.00 C ATOM 1131 NZ LYS A 396 101.033 13.300 3.077 1.00 0.00 N ATOM 0 H LYS A 396 106.650 12.548 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 396 104.227 14.075 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 396 106.015 12.931 1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 396 104.641 13.942 2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 396 104.241 11.618 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 396 104.351 11.287 1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 396 102.486 13.490 0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 396 101.977 11.821 0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 396 102.057 11.439 3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 396 103.072 12.838 3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 100.605 13.064 3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 101.298 14.306 3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 100.347 13.115 2.318 1.00 0.00 H new ATOM 1145 N GLU A 397 106.821 15.769 -0.364 1.00 0.00 N ATOM 1146 CA GLU A 397 107.407 17.094 -0.201 1.00 0.00 C ATOM 1147 C GLU A 397 106.608 18.134 -0.981 1.00 0.00 C ATOM 1148 O GLU A 397 106.320 19.217 -0.473 1.00 0.00 O ATOM 1149 CB GLU A 397 108.859 17.087 -0.687 1.00 0.00 C ATOM 1150 CG GLU A 397 109.667 16.083 0.135 1.00 0.00 C ATOM 1151 CD GLU A 397 111.122 16.088 -0.321 1.00 0.00 C ATOM 1152 OE1 GLU A 397 111.550 17.094 -0.863 1.00 0.00 O ATOM 1153 OE2 GLU A 397 111.789 15.086 -0.121 1.00 0.00 O ATOM 0 H GLU A 397 107.324 15.156 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 397 107.381 17.355 0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 397 108.899 16.823 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 397 109.291 18.083 -0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 397 109.608 16.336 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 397 109.245 15.084 0.022 1.00 0.00 H new ATOM 1160 N GLU A 398 106.251 17.798 -2.220 1.00 0.00 N ATOM 1161 CA GLU A 398 105.481 18.710 -3.067 1.00 0.00 C ATOM 1162 C GLU A 398 103.986 18.447 -2.916 1.00 0.00 C ATOM 1163 O GLU A 398 103.167 19.349 -3.091 1.00 0.00 O ATOM 1164 CB GLU A 398 105.881 18.533 -4.536 1.00 0.00 C ATOM 1165 CG GLU A 398 105.894 17.043 -4.904 1.00 0.00 C ATOM 1166 CD GLU A 398 107.194 16.388 -4.442 1.00 0.00 C ATOM 1167 OE1 GLU A 398 108.033 17.091 -3.903 1.00 0.00 O ATOM 1168 OE2 GLU A 398 107.331 15.191 -4.635 1.00 0.00 O ATOM 0 H GLU A 398 106.481 16.906 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 398 105.697 19.731 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 398 105.181 19.068 -5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 398 106.866 18.966 -4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 398 105.043 16.541 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 398 105.785 16.928 -5.982 1.00 0.00 H new ATOM 1175 N ALA A 399 103.635 17.206 -2.592 1.00 0.00 N ATOM 1176 CA ALA A 399 102.234 16.839 -2.423 1.00 0.00 C ATOM 1177 C ALA A 399 101.550 17.772 -1.428 1.00 0.00 C ATOM 1178 O ALA A 399 100.577 18.447 -1.764 1.00 0.00 O ATOM 1179 CB ALA A 399 102.127 15.393 -1.932 1.00 0.00 C ATOM 0 H ALA A 399 104.296 16.443 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 399 101.735 16.931 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.077 15.127 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.587 14.726 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.641 15.294 -0.976 1.00 0.00 H new ATOM 1185 N LYS A 400 102.064 17.804 -0.202 1.00 0.00 N ATOM 1186 CA LYS A 400 101.491 18.657 0.833 1.00 0.00 C ATOM 1187 C LYS A 400 101.435 20.107 0.361 1.00 0.00 C ATOM 1188 O LYS A 400 100.430 20.792 0.550 1.00 0.00 O ATOM 1189 CB LYS A 400 102.329 18.566 2.109 1.00 0.00 C ATOM 1190 CG LYS A 400 103.773 18.979 1.806 1.00 0.00 C ATOM 1191 CD LYS A 400 104.688 18.533 2.951 1.00 0.00 C ATOM 1192 CE LYS A 400 104.205 19.142 4.271 1.00 0.00 C ATOM 1193 NZ LYS A 400 103.055 18.352 4.792 1.00 0.00 N ATOM 0 H LYS A 400 102.869 17.254 0.097 1.00 0.00 H new ATOM 0 HA LYS A 400 100.477 18.314 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 400 101.909 19.213 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 400 102.305 17.549 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 400 104.101 18.529 0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 400 103.833 20.060 1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 400 104.692 17.445 3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 400 105.713 18.843 2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 400 105.016 19.147 4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 400 103.907 20.179 4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 102.177 18.895 4.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 102.985 17.455 4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 103.200 18.153 5.803 1.00 0.00 H new ATOM 1207 N LYS A 401 102.519 20.566 -0.255 1.00 0.00 N ATOM 1208 CA LYS A 401 102.581 21.937 -0.749 1.00 0.00 C ATOM 1209 C LYS A 401 101.315 22.281 -1.525 1.00 0.00 C ATOM 1210 O LYS A 401 100.828 23.410 -1.469 1.00 0.00 O ATOM 1211 CB LYS A 401 103.801 22.111 -1.655 1.00 0.00 C ATOM 1212 CG LYS A 401 104.040 23.600 -1.912 1.00 0.00 C ATOM 1213 CD LYS A 401 105.260 23.773 -2.817 1.00 0.00 C ATOM 1214 CE LYS A 401 105.305 25.207 -3.346 1.00 0.00 C ATOM 1215 NZ LYS A 401 104.260 25.384 -4.394 1.00 0.00 N ATOM 0 H LYS A 401 103.360 20.014 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 401 102.665 22.609 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 401 104.680 21.666 -1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 401 103.643 21.589 -2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 401 103.161 24.045 -2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 401 104.197 24.122 -0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 401 106.172 23.550 -2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 401 105.212 23.069 -3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 401 105.141 25.912 -2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 401 106.290 25.422 -3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 104.494 26.209 -4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 104.220 24.534 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 103.336 25.533 -3.941 1.00 0.00 H new ATOM 1229 N ALA A 402 100.786 21.300 -2.248 1.00 0.00 N ATOM 1230 CA ALA A 402 99.575 21.509 -3.033 1.00 0.00 C ATOM 1231 C ALA A 402 98.466 22.092 -2.162 1.00 0.00 C ATOM 1232 O ALA A 402 97.629 22.859 -2.637 1.00 0.00 O ATOM 1233 CB ALA A 402 99.108 20.184 -3.637 1.00 0.00 C ATOM 0 H ALA A 402 101.174 20.358 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 402 99.801 22.213 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 402 98.203 20.350 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 402 99.889 19.783 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 402 98.899 19.473 -2.837 1.00 0.00 H new ATOM 1239 N VAL A 403 98.467 21.726 -0.885 1.00 0.00 N ATOM 1240 CA VAL A 403 97.456 22.222 0.041 1.00 0.00 C ATOM 1241 C VAL A 403 97.365 23.743 -0.028 1.00 0.00 C ATOM 1242 O VAL A 403 96.372 24.296 -0.500 1.00 0.00 O ATOM 1243 CB VAL A 403 97.801 21.791 1.468 1.00 0.00 C ATOM 1244 CG1 VAL A 403 96.784 22.387 2.443 1.00 0.00 C ATOM 1245 CG2 VAL A 403 97.759 20.264 1.562 1.00 0.00 C ATOM 0 H VAL A 403 99.151 21.093 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 403 96.491 21.801 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 403 98.800 22.146 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 403 97.031 22.079 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 403 96.810 23.475 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 403 95.785 22.032 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 403 98.005 19.955 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 403 96.760 19.911 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 403 98.483 19.837 0.868 1.00 0.00 H new ATOM 1255 N SER A 404 98.405 24.413 0.454 1.00 0.00 N ATOM 1256 CA SER A 404 98.437 25.872 0.453 1.00 0.00 C ATOM 1257 C SER A 404 97.944 26.436 -0.876 1.00 0.00 C ATOM 1258 O SER A 404 97.090 27.323 -0.904 1.00 0.00 O ATOM 1259 CB SER A 404 99.861 26.360 0.717 1.00 0.00 C ATOM 1260 OG SER A 404 99.928 27.761 0.485 1.00 0.00 O ATOM 0 H SER A 404 99.235 23.972 0.850 1.00 0.00 H new ATOM 0 HA SER A 404 97.773 26.224 1.243 1.00 0.00 H new ATOM 0 HB2 SER A 404 100.150 26.136 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.563 25.838 0.067 1.00 0.00 H new ATOM 0 HG SER A 404 100.840 28.077 0.655 1.00 0.00 H new ATOM 1266 N THR A 405 98.490 25.927 -1.976 1.00 0.00 N ATOM 1267 CA THR A 405 98.096 26.403 -3.298 1.00 0.00 C ATOM 1268 C THR A 405 96.587 26.284 -3.489 1.00 0.00 C ATOM 1269 O THR A 405 95.922 27.254 -3.856 1.00 0.00 O ATOM 1270 CB THR A 405 98.817 25.598 -4.383 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.308 24.273 -4.405 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.317 25.566 -4.087 1.00 0.00 C ATOM 0 H THR A 405 99.199 25.193 -1.980 1.00 0.00 H new ATOM 0 HA THR A 405 98.376 27.453 -3.380 1.00 0.00 H new ATOM 0 HB THR A 405 98.651 26.067 -5.353 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.231 23.937 -3.488 1.00 0.00 H new ATOM 0 HG21 THR A 405 100.828 24.993 -4.860 1.00 0.00 H new ATOM 0 HG22 THR A 405 100.707 26.584 -4.072 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.487 25.099 -3.117 1.00 0.00 H new ATOM 1280 N LEU A 406 96.051 25.093 -3.244 1.00 0.00 N ATOM 1281 CA LEU A 406 94.618 24.869 -3.400 1.00 0.00 C ATOM 1282 C LEU A 406 93.828 25.953 -2.659 1.00 0.00 C ATOM 1283 O LEU A 406 94.295 26.478 -1.648 1.00 0.00 O ATOM 1284 CB LEU A 406 94.246 23.488 -2.845 1.00 0.00 C ATOM 1285 CG LEU A 406 94.797 22.380 -3.763 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.864 21.060 -2.988 1.00 0.00 C ATOM 1287 CD2 LEU A 406 93.889 22.195 -4.993 1.00 0.00 C ATOM 0 H LEU A 406 96.580 24.276 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 406 94.368 24.913 -4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.650 23.371 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.162 23.400 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 406 95.793 22.670 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.254 20.276 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 406 95.521 21.177 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.865 20.786 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 406 94.294 21.408 -5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 406 92.887 21.917 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 406 93.842 23.128 -5.555 1.00 0.00 H new ATOM 1299 N PRO A 407 92.650 26.302 -3.130 1.00 0.00 N ATOM 1300 CA PRO A 407 91.808 27.350 -2.475 1.00 0.00 C ATOM 1301 C PRO A 407 91.205 26.859 -1.158 1.00 0.00 C ATOM 1302 O PRO A 407 91.354 25.693 -0.790 1.00 0.00 O ATOM 1303 CB PRO A 407 90.719 27.636 -3.518 1.00 0.00 C ATOM 1304 CG PRO A 407 90.583 26.360 -4.282 1.00 0.00 C ATOM 1305 CD PRO A 407 91.986 25.748 -4.328 1.00 0.00 C ATOM 0 HA PRO A 407 92.382 28.236 -2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 407 89.779 27.915 -3.043 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.003 28.461 -4.172 1.00 0.00 H new ATOM 0 HG2 PRO A 407 89.878 25.686 -3.795 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.204 26.545 -5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 407 91.949 24.659 -4.298 1.00 0.00 H new ATOM 0 HD3 PRO A 407 92.513 26.024 -5.241 1.00 0.00 H new ATOM 1313 N ALA A 408 90.525 27.759 -0.457 1.00 0.00 N ATOM 1314 CA ALA A 408 89.902 27.414 0.816 1.00 0.00 C ATOM 1315 C ALA A 408 88.825 26.352 0.618 1.00 0.00 C ATOM 1316 O ALA A 408 88.812 25.330 1.302 1.00 0.00 O ATOM 1317 CB ALA A 408 89.281 28.661 1.447 1.00 0.00 C ATOM 0 H ALA A 408 90.391 28.728 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 408 90.671 27.015 1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 408 88.818 28.396 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.057 29.407 1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 408 88.525 29.070 0.777 1.00 0.00 H new ATOM 1323 N ASP A 409 87.917 26.605 -0.320 1.00 0.00 N ATOM 1324 CA ASP A 409 86.833 25.668 -0.598 1.00 0.00 C ATOM 1325 C ASP A 409 87.339 24.226 -0.607 1.00 0.00 C ATOM 1326 O ASP A 409 86.621 23.305 -0.219 1.00 0.00 O ATOM 1327 CB ASP A 409 86.202 25.994 -1.953 1.00 0.00 C ATOM 1328 CG ASP A 409 85.427 27.304 -1.864 1.00 0.00 C ATOM 1329 OD1 ASP A 409 85.447 27.910 -0.805 1.00 0.00 O ATOM 1330 OD2 ASP A 409 84.828 27.682 -2.857 1.00 0.00 O ATOM 0 H ASP A 409 87.910 27.446 -0.897 1.00 0.00 H new ATOM 0 HA ASP A 409 86.088 25.768 0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 409 86.977 26.071 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 409 85.535 25.187 -2.257 1.00 0.00 H new ATOM 1335 N VAL A 410 88.578 24.036 -1.057 1.00 0.00 N ATOM 1336 CA VAL A 410 89.170 22.699 -1.119 1.00 0.00 C ATOM 1337 C VAL A 410 89.907 22.366 0.177 1.00 0.00 C ATOM 1338 O VAL A 410 89.780 21.261 0.707 1.00 0.00 O ATOM 1339 CB VAL A 410 90.147 22.620 -2.293 1.00 0.00 C ATOM 1340 CG1 VAL A 410 90.817 21.244 -2.311 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.385 22.832 -3.604 1.00 0.00 C ATOM 0 H VAL A 410 89.189 24.785 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 410 88.366 21.976 -1.257 1.00 0.00 H new ATOM 0 HB VAL A 410 90.908 23.392 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.513 21.189 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.359 21.091 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 410 90.057 20.471 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.080 22.776 -4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 410 88.624 22.059 -3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 410 88.908 23.812 -3.593 1.00 0.00 H new ATOM 1351 N GLN A 411 90.682 23.322 0.677 1.00 0.00 N ATOM 1352 CA GLN A 411 91.440 23.112 1.907 1.00 0.00 C ATOM 1353 C GLN A 411 90.505 22.855 3.085 1.00 0.00 C ATOM 1354 O GLN A 411 90.711 21.920 3.859 1.00 0.00 O ATOM 1355 CB GLN A 411 92.309 24.337 2.200 1.00 0.00 C ATOM 1356 CG GLN A 411 93.267 24.021 3.349 1.00 0.00 C ATOM 1357 CD GLN A 411 94.129 25.240 3.660 1.00 0.00 C ATOM 1358 OE1 GLN A 411 93.741 26.085 4.468 1.00 0.00 O ATOM 1359 NE2 GLN A 411 95.281 25.384 3.066 1.00 0.00 N ATOM 0 H GLN A 411 90.802 24.243 0.255 1.00 0.00 H new ATOM 0 HA GLN A 411 92.076 22.237 1.771 1.00 0.00 H new ATOM 0 HB2 GLN A 411 92.872 24.618 1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.680 25.188 2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 411 92.702 23.729 4.234 1.00 0.00 H new ATOM 0 HG3 GLN A 411 93.901 23.175 3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 411 95.601 24.684 2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.862 26.197 3.270 1.00 0.00 H new ATOM 1368 N ALA A 412 89.479 23.688 3.216 1.00 0.00 N ATOM 1369 CA ALA A 412 88.520 23.540 4.304 1.00 0.00 C ATOM 1370 C ALA A 412 87.979 22.114 4.352 1.00 0.00 C ATOM 1371 O ALA A 412 87.490 21.660 5.386 1.00 0.00 O ATOM 1372 CB ALA A 412 87.360 24.521 4.118 1.00 0.00 C ATOM 0 H ALA A 412 89.290 24.468 2.587 1.00 0.00 H new ATOM 0 HA ALA A 412 89.030 23.756 5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 412 86.649 24.403 4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 412 87.743 25.541 4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 412 86.860 24.318 3.171 1.00 0.00 H new ATOM 1378 N LYS A 413 88.073 21.414 3.227 1.00 0.00 N ATOM 1379 CA LYS A 413 87.591 20.040 3.151 1.00 0.00 C ATOM 1380 C LYS A 413 88.531 19.107 3.913 1.00 0.00 C ATOM 1381 O LYS A 413 88.349 17.891 3.922 1.00 0.00 O ATOM 1382 CB LYS A 413 87.497 19.602 1.681 1.00 0.00 C ATOM 1383 CG LYS A 413 86.523 18.415 1.534 1.00 0.00 C ATOM 1384 CD LYS A 413 85.088 18.928 1.357 1.00 0.00 C ATOM 1385 CE LYS A 413 84.143 17.742 1.160 1.00 0.00 C ATOM 1386 NZ LYS A 413 82.735 18.229 1.132 1.00 0.00 N ATOM 0 H LYS A 413 88.476 21.772 2.361 1.00 0.00 H new ATOM 0 HA LYS A 413 86.601 19.988 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 413 87.158 20.437 1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 413 88.484 19.318 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 413 86.808 17.805 0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 413 86.582 17.775 2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 413 84.787 19.506 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 413 85.033 19.597 0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 413 84.379 17.226 0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 413 84.274 17.021 1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 82.092 17.423 0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 82.514 18.703 2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 82.616 18.901 0.348 1.00 0.00 H new ATOM 1400 N ASN A 414 89.540 19.690 4.550 1.00 0.00 N ATOM 1401 CA ASN A 414 90.506 18.908 5.310 1.00 0.00 C ATOM 1402 C ASN A 414 90.950 17.678 4.522 1.00 0.00 C ATOM 1403 O ASN A 414 90.650 16.546 4.902 1.00 0.00 O ATOM 1404 CB ASN A 414 89.893 18.469 6.642 1.00 0.00 C ATOM 1405 CG ASN A 414 89.207 19.653 7.315 1.00 0.00 C ATOM 1406 OD1 ASN A 414 89.657 20.791 7.180 1.00 0.00 O ATOM 1407 ND2 ASN A 414 88.139 19.453 8.037 1.00 0.00 N ATOM 0 H ASN A 414 89.709 20.696 4.555 1.00 0.00 H new ATOM 0 HA ASN A 414 91.378 19.535 5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 414 89.173 17.668 6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 414 90.669 18.068 7.295 1.00 0.00 H new ATOM 0 HD21 ASN A 414 87.675 20.240 8.491 1.00 0.00 H new ATOM 0 HD22 ASN A 414 87.768 18.510 8.148 1.00 0.00 H new ATOM 1414 N PRO A 415 91.655 17.880 3.440 1.00 0.00 N ATOM 1415 CA PRO A 415 92.153 16.761 2.583 1.00 0.00 C ATOM 1416 C PRO A 415 92.886 15.697 3.399 1.00 0.00 C ATOM 1417 O PRO A 415 93.356 15.963 4.505 1.00 0.00 O ATOM 1418 CB PRO A 415 93.100 17.458 1.592 1.00 0.00 C ATOM 1419 CG PRO A 415 92.614 18.870 1.522 1.00 0.00 C ATOM 1420 CD PRO A 415 92.058 19.195 2.911 1.00 0.00 C ATOM 0 HA PRO A 415 91.342 16.223 2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 415 94.134 17.413 1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.068 16.980 0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 415 93.425 19.549 1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 415 91.844 18.980 0.758 1.00 0.00 H new ATOM 0 HD2 PRO A 415 92.810 19.668 3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 415 91.212 19.880 2.854 1.00 0.00 H new ATOM 1428 N TRP A 416 92.983 14.489 2.842 1.00 0.00 N ATOM 1429 CA TRP A 416 93.664 13.382 3.517 1.00 0.00 C ATOM 1430 C TRP A 416 94.567 12.642 2.537 1.00 0.00 C ATOM 1431 O TRP A 416 94.252 12.524 1.352 1.00 0.00 O ATOM 1432 CB TRP A 416 92.636 12.416 4.112 1.00 0.00 C ATOM 1433 CG TRP A 416 91.800 11.820 3.023 1.00 0.00 C ATOM 1434 CD1 TRP A 416 90.998 12.517 2.184 1.00 0.00 C ATOM 1435 CD2 TRP A 416 91.662 10.418 2.650 1.00 0.00 C ATOM 1436 NE1 TRP A 416 90.382 11.631 1.317 1.00 0.00 N ATOM 1437 CE2 TRP A 416 90.760 10.327 1.566 1.00 0.00 C ATOM 1438 CE3 TRP A 416 92.230 9.228 3.142 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 90.431 9.099 0.990 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 91.901 7.991 2.565 1.00 0.00 C ATOM 1441 CH2 TRP A 416 91.003 7.927 1.491 1.00 0.00 C ATOM 0 H TRP A 416 92.600 14.252 1.927 1.00 0.00 H new ATOM 0 HA TRP A 416 94.276 13.788 4.322 1.00 0.00 H new ATOM 0 HB2 TRP A 416 93.145 11.626 4.664 1.00 0.00 H new ATOM 0 HB3 TRP A 416 91.999 12.943 4.823 1.00 0.00 H new ATOM 0 HD1 TRP A 416 90.861 13.588 2.190 1.00 0.00 H new ATOM 0 HE1 TRP A 416 89.729 11.908 0.584 1.00 0.00 H new ATOM 0 HE3 TRP A 416 92.924 9.267 3.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 89.739 9.055 0.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 92.342 7.084 2.951 1.00 0.00 H new ATOM 0 HH2 TRP A 416 90.753 6.973 1.051 1.00 0.00 H new ATOM 1452 N ALA A 417 95.696 12.151 3.039 1.00 0.00 N ATOM 1453 CA ALA A 417 96.649 11.430 2.201 1.00 0.00 C ATOM 1454 C ALA A 417 96.215 9.981 2.003 1.00 0.00 C ATOM 1455 O ALA A 417 96.191 9.197 2.952 1.00 0.00 O ATOM 1456 CB ALA A 417 98.037 11.465 2.843 1.00 0.00 C ATOM 0 H ALA A 417 95.973 12.238 4.017 1.00 0.00 H new ATOM 0 HA ALA A 417 96.683 11.918 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 417 98.743 10.925 2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 417 98.363 12.500 2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 417 97.995 10.995 3.826 1.00 0.00 H new ATOM 1462 N LYS A 418 95.873 9.634 0.762 1.00 0.00 N ATOM 1463 CA LYS A 418 95.439 8.273 0.430 1.00 0.00 C ATOM 1464 C LYS A 418 96.483 7.582 -0.457 1.00 0.00 C ATOM 1465 O LYS A 418 96.406 7.666 -1.683 1.00 0.00 O ATOM 1466 CB LYS A 418 94.100 8.327 -0.321 1.00 0.00 C ATOM 1467 CG LYS A 418 94.108 9.482 -1.343 1.00 0.00 C ATOM 1468 CD LYS A 418 93.151 9.167 -2.501 1.00 0.00 C ATOM 1469 CE LYS A 418 91.744 8.908 -1.957 1.00 0.00 C ATOM 1470 NZ LYS A 418 90.791 8.770 -3.094 1.00 0.00 N ATOM 0 H LYS A 418 95.887 10.275 -0.031 1.00 0.00 H new ATOM 0 HA LYS A 418 95.324 7.709 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.923 7.381 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 418 93.283 8.464 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 418 93.810 10.411 -0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 418 95.117 9.633 -1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 418 93.131 9.999 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 418 93.505 8.294 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 418 91.738 8.002 -1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 418 91.437 9.728 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 89.849 9.096 -2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 91.121 9.345 -3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 90.737 7.772 -3.383 1.00 0.00 H new ATOM 1484 N PRO A 419 97.452 6.906 0.118 1.00 0.00 N ATOM 1485 CA PRO A 419 98.505 6.208 -0.675 1.00 0.00 C ATOM 1486 C PRO A 419 97.918 5.459 -1.869 1.00 0.00 C ATOM 1487 O PRO A 419 96.920 4.750 -1.740 1.00 0.00 O ATOM 1488 CB PRO A 419 99.132 5.249 0.341 1.00 0.00 C ATOM 1489 CG PRO A 419 98.980 5.947 1.654 1.00 0.00 C ATOM 1490 CD PRO A 419 97.659 6.725 1.570 1.00 0.00 C ATOM 0 HA PRO A 419 99.228 6.896 -1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 419 98.624 4.284 0.343 1.00 0.00 H new ATOM 0 HB3 PRO A 419 100.180 5.057 0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 419 98.960 5.232 2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 419 99.818 6.620 1.837 1.00 0.00 H new ATOM 0 HD2 PRO A 419 96.838 6.171 2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 419 97.724 7.682 2.088 1.00 0.00 H new ATOM 1498 N LEU A 420 98.542 5.628 -3.030 1.00 0.00 N ATOM 1499 CA LEU A 420 98.072 4.970 -4.245 1.00 0.00 C ATOM 1500 C LEU A 420 97.950 3.461 -4.017 1.00 0.00 C ATOM 1501 O LEU A 420 97.448 2.731 -4.871 1.00 0.00 O ATOM 1502 CB LEU A 420 99.052 5.272 -5.403 1.00 0.00 C ATOM 1503 CG LEU A 420 98.291 5.540 -6.710 1.00 0.00 C ATOM 1504 CD1 LEU A 420 99.284 5.950 -7.800 1.00 0.00 C ATOM 1505 CD2 LEU A 420 97.546 4.272 -7.144 1.00 0.00 C ATOM 0 H LEU A 420 99.369 6.211 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 420 97.086 5.352 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 420 99.664 6.138 -5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 420 99.731 4.430 -5.539 1.00 0.00 H new ATOM 0 HG LEU A 420 97.571 6.343 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 420 98.746 6.141 -8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 420 99.809 6.854 -7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 420 100.005 5.147 -7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 420 97.007 4.466 -8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 420 98.262 3.465 -7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 420 96.838 3.982 -6.367 1.00 0.00 H new ATOM 1517 N ARG A 421 98.409 3.002 -2.856 1.00 0.00 N ATOM 1518 CA ARG A 421 98.341 1.583 -2.527 1.00 0.00 C ATOM 1519 C ARG A 421 96.929 1.208 -2.086 1.00 0.00 C ATOM 1520 O ARG A 421 96.591 0.028 -1.988 1.00 0.00 O ATOM 1521 CB ARG A 421 99.335 1.262 -1.406 1.00 0.00 C ATOM 1522 CG ARG A 421 99.569 -0.250 -1.339 1.00 0.00 C ATOM 1523 CD ARG A 421 100.592 -0.560 -0.245 1.00 0.00 C ATOM 1524 NE ARG A 421 101.074 -1.930 -0.378 1.00 0.00 N ATOM 1525 CZ ARG A 421 101.781 -2.507 0.588 1.00 0.00 C ATOM 1526 NH1 ARG A 421 102.055 -1.846 1.679 1.00 0.00 N ATOM 1527 NH2 ARG A 421 102.201 -3.734 0.445 1.00 0.00 N ATOM 0 H ARG A 421 98.829 3.587 -2.133 1.00 0.00 H new ATOM 0 HA ARG A 421 98.598 1.005 -3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 421 100.278 1.778 -1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 421 98.950 1.623 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 421 98.631 -0.765 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 421 99.927 -0.616 -2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 421 101.429 0.135 -0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 421 100.139 -0.420 0.736 1.00 0.00 H new ATOM 0 HE ARG A 421 100.865 -2.455 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 421 101.727 -0.887 1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 421 102.598 -2.289 2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 421 101.987 -4.250 -0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 421 102.744 -4.177 1.186 1.00 0.00 H new ATOM 1541 N GLN A 422 96.110 2.223 -1.818 1.00 0.00 N ATOM 1542 CA GLN A 422 94.732 1.999 -1.383 1.00 0.00 C ATOM 1543 C GLN A 422 93.797 1.902 -2.586 1.00 0.00 C ATOM 1544 O GLN A 422 93.036 0.942 -2.714 1.00 0.00 O ATOM 1545 CB GLN A 422 94.282 3.149 -0.474 1.00 0.00 C ATOM 1546 CG GLN A 422 93.018 2.752 0.298 1.00 0.00 C ATOM 1547 CD GLN A 422 91.826 2.670 -0.650 1.00 0.00 C ATOM 1548 OE1 GLN A 422 91.002 1.762 -0.536 1.00 0.00 O ATOM 1549 NE2 GLN A 422 91.685 3.571 -1.584 1.00 0.00 N ATOM 0 H GLN A 422 96.375 3.205 -1.894 1.00 0.00 H new ATOM 0 HA GLN A 422 94.691 1.060 -0.832 1.00 0.00 H new ATOM 0 HB2 GLN A 422 95.079 3.403 0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 422 94.087 4.039 -1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 422 93.169 1.790 0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 422 92.818 3.481 1.083 1.00 0.00 H new ATOM 0 HE21 GLN A 422 92.369 4.322 -1.676 1.00 0.00 H new ATOM 0 HE22 GLN A 422 90.891 3.524 -2.222 1.00 0.00 H new ATOM 1558 N VAL A 423 93.855 2.900 -3.463 1.00 0.00 N ATOM 1559 CA VAL A 423 93.005 2.914 -4.651 1.00 0.00 C ATOM 1560 C VAL A 423 92.960 1.534 -5.299 1.00 0.00 C ATOM 1561 O VAL A 423 92.034 1.218 -6.046 1.00 0.00 O ATOM 1562 CB VAL A 423 93.537 3.932 -5.660 1.00 0.00 C ATOM 1563 CG1 VAL A 423 92.477 4.190 -6.733 1.00 0.00 C ATOM 1564 CG2 VAL A 423 93.861 5.243 -4.939 1.00 0.00 C ATOM 0 H VAL A 423 94.476 3.704 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 423 91.996 3.192 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 423 94.440 3.541 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 423 92.856 4.916 -7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 423 92.245 3.257 -7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 423 91.573 4.581 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 423 94.240 5.969 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 423 92.958 5.634 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 423 94.616 5.061 -4.174 1.00 0.00 H new ATOM 1574 N GLN A 424 93.964 0.713 -5.004 1.00 0.00 N ATOM 1575 CA GLN A 424 94.026 -0.634 -5.562 1.00 0.00 C ATOM 1576 C GLN A 424 92.669 -1.320 -5.444 1.00 0.00 C ATOM 1577 O GLN A 424 92.377 -2.271 -6.169 1.00 0.00 O ATOM 1578 CB GLN A 424 95.082 -1.457 -4.822 1.00 0.00 C ATOM 1579 CG GLN A 424 96.451 -0.797 -4.985 1.00 0.00 C ATOM 1580 CD GLN A 424 97.543 -1.733 -4.476 1.00 0.00 C ATOM 1581 OE1 GLN A 424 98.080 -1.528 -3.389 1.00 0.00 O ATOM 1582 NE2 GLN A 424 97.903 -2.755 -5.203 1.00 0.00 N ATOM 0 H GLN A 424 94.740 0.954 -4.387 1.00 0.00 H new ATOM 0 HA GLN A 424 94.296 -0.562 -6.616 1.00 0.00 H new ATOM 0 HB2 GLN A 424 94.826 -1.531 -3.765 1.00 0.00 H new ATOM 0 HB3 GLN A 424 95.107 -2.473 -5.215 1.00 0.00 H new ATOM 0 HG2 GLN A 424 96.626 -0.557 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 424 96.479 0.143 -4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 424 97.456 -2.923 -6.104 1.00 0.00 H new ATOM 0 HE22 GLN A 424 98.632 -3.386 -4.870 1.00 0.00 H new