USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 418 LYS NZ :NH3+ 177:sc= 1.1 (180deg=-0.175) USER MOD Set 1.2: A 422 GLN : amide:sc= 0.7 K(o=1.8,f=-8.7!) USER MOD Set 2.1: A 372 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Set 2.2: A 390 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 369 ASN : amide:sc= -0.0488 K(o=1,f=-7!) USER MOD Set 3.2: A 371 LYS NZ :NH3+ -156:sc= 1.07 (180deg=-0.771) USER MOD Set 4.1: A 362 ASN : amide:sc= 0.912 K(o=1.9,f=-4) USER MOD Set 4.2: A 366 LYS NZ :NH3+ -142:sc= 0.997 (180deg=-0.636) USER MOD Set 4.3: A 373 TYR OH : rot 110:sc= 0 USER MOD Single : A 345 SER OG : rot -150:sc= -0.139 USER MOD Single : A 346 SER OG : rot 180:sc= 0.00877 USER MOD Single : A 347 HIS : no HD1:sc= -0.076 X(o=-0.076,f=0) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot -31:sc= -0.0429! USER MOD Single : A 351 GLN : amide:sc= -5.54! C(o=-5.5!,f=-7!) USER MOD Single : A 353 SER OG : rot 180:sc= 0.0578! USER MOD Single : A 354 SER OG : rot 180:sc= 0 USER MOD Single : A 355 SER OG : rot 41:sc= 1.2 USER MOD Single : A 356 SER OG : rot -62:sc= 0.276 USER MOD Single : A 357 ASN : amide:sc= -4.6! C(o=-4.6!,f=-3.2!) USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 ASN : amide:sc= -1.15! X(o=-1.1!,f=-0.74) USER MOD Single : A 367 LYS NZ :NH3+ 160:sc= -0.0585 (180deg=-0.665) USER MOD Single : A 376 TYR OH : rot 180:sc= -0.182 USER MOD Single : A 378 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 379 THR OG1 : rot 180:sc= 0 USER MOD Single : A 381 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.6) USER MOD Single : A 383 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.18) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 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+ 161:sc= -0.0627 (180deg=-0.442) USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 401 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0852) USER MOD Single : A 404 SER OG : rot 180:sc= 0.0417 USER MOD Single : A 405 THR OG1 : rot -52:sc= 0.699 USER MOD Single : A 411 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 414 ASN : amide:sc= -7.22! C(o=-7.2!,f=-8.4!) USER MOD Single : A 424 GLN : amide:sc= -2.39! K(o=-2.4!,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 104.605 2.742 -5.756 1.00 0.00 N ATOM 322 CA SER A 345 103.808 3.155 -4.606 1.00 0.00 C ATOM 323 C SER A 345 104.345 4.459 -4.028 1.00 0.00 C ATOM 324 O SER A 345 103.604 5.231 -3.418 1.00 0.00 O ATOM 325 CB SER A 345 103.838 2.067 -3.532 1.00 0.00 C ATOM 326 OG SER A 345 103.426 2.623 -2.290 1.00 0.00 O ATOM 0 HA SER A 345 102.780 3.311 -4.934 1.00 0.00 H new ATOM 0 HB2 SER A 345 103.179 1.245 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 345 104.843 1.654 -3.444 1.00 0.00 H new ATOM 0 HG SER A 345 103.866 2.146 -1.556 1.00 0.00 H new ATOM 332 N SER A 346 105.637 4.699 -4.226 1.00 0.00 N ATOM 333 CA SER A 346 106.264 5.915 -3.721 1.00 0.00 C ATOM 334 C SER A 346 105.438 7.139 -4.102 1.00 0.00 C ATOM 335 O SER A 346 105.572 8.203 -3.500 1.00 0.00 O ATOM 336 CB SER A 346 107.675 6.051 -4.293 1.00 0.00 C ATOM 337 OG SER A 346 108.368 4.821 -4.132 1.00 0.00 O ATOM 0 H SER A 346 106.266 4.073 -4.729 1.00 0.00 H new ATOM 0 HA SER A 346 106.318 5.850 -2.634 1.00 0.00 H new ATOM 0 HB2 SER A 346 107.628 6.319 -5.348 1.00 0.00 H new ATOM 0 HB3 SER A 346 108.210 6.853 -3.784 1.00 0.00 H new ATOM 0 HG SER A 346 109.273 4.905 -4.499 1.00 0.00 H new ATOM 343 N HIS A 347 104.583 6.978 -5.108 1.00 0.00 N ATOM 344 CA HIS A 347 103.738 8.076 -5.567 1.00 0.00 C ATOM 345 C HIS A 347 102.504 8.209 -4.679 1.00 0.00 C ATOM 346 O HIS A 347 101.907 7.211 -4.276 1.00 0.00 O ATOM 347 CB HIS A 347 103.301 7.830 -7.012 1.00 0.00 C ATOM 348 CG HIS A 347 104.485 7.981 -7.927 1.00 0.00 C ATOM 349 ND1 HIS A 347 104.374 7.856 -9.303 1.00 0.00 N ATOM 350 CD2 HIS A 347 105.810 8.245 -7.679 1.00 0.00 C ATOM 351 CE1 HIS A 347 105.600 8.044 -9.827 1.00 0.00 C ATOM 352 NE2 HIS A 347 106.511 8.285 -8.881 1.00 0.00 N ATOM 0 H HIS A 347 104.457 6.104 -5.618 1.00 0.00 H new ATOM 0 HA HIS A 347 104.314 9.000 -5.513 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.878 6.830 -7.110 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.519 8.536 -7.292 1.00 0.00 H new ATOM 0 HD2 HIS A 347 106.242 8.398 -6.701 1.00 0.00 H new ATOM 0 HE1 HIS A 347 105.820 8.005 -10.884 1.00 0.00 H new ATOM 0 HE2 HIS A 347 107.507 8.461 -9.011 1.00 0.00 H new ATOM 361 N TYR A 348 102.126 9.452 -4.381 1.00 0.00 N ATOM 362 CA TYR A 348 100.955 9.725 -3.541 1.00 0.00 C ATOM 363 C TYR A 348 99.924 10.530 -4.326 1.00 0.00 C ATOM 364 O TYR A 348 100.205 11.028 -5.417 1.00 0.00 O ATOM 365 CB TYR A 348 101.384 10.513 -2.290 1.00 0.00 C ATOM 366 CG TYR A 348 101.922 9.565 -1.238 1.00 0.00 C ATOM 367 CD1 TYR A 348 103.101 8.850 -1.479 1.00 0.00 C ATOM 368 CD2 TYR A 348 101.242 9.403 -0.022 1.00 0.00 C ATOM 369 CE1 TYR A 348 103.600 7.973 -0.507 1.00 0.00 C ATOM 370 CE2 TYR A 348 101.741 8.527 0.948 1.00 0.00 C ATOM 371 CZ TYR A 348 102.920 7.813 0.707 1.00 0.00 C ATOM 372 OH TYR A 348 103.413 6.949 1.664 1.00 0.00 O ATOM 0 H TYR A 348 102.612 10.287 -4.708 1.00 0.00 H new ATOM 0 HA TYR A 348 100.510 8.778 -3.236 1.00 0.00 H new ATOM 0 HB2 TYR A 348 102.147 11.245 -2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 348 100.535 11.068 -1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 348 103.626 8.974 -2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 348 100.333 9.955 0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 348 104.509 7.420 -0.694 1.00 0.00 H new ATOM 0 HE2 TYR A 348 101.216 8.402 1.883 1.00 0.00 H new ATOM 0 HH TYR A 348 102.823 6.956 2.446 1.00 0.00 H new ATOM 382 N THR A 349 98.728 10.654 -3.760 1.00 0.00 N ATOM 383 CA THR A 349 97.657 11.400 -4.408 1.00 0.00 C ATOM 384 C THR A 349 96.606 11.810 -3.382 1.00 0.00 C ATOM 385 O THR A 349 95.818 10.983 -2.927 1.00 0.00 O ATOM 386 CB THR A 349 97.007 10.543 -5.495 1.00 0.00 C ATOM 387 OG1 THR A 349 98.020 9.930 -6.281 1.00 0.00 O ATOM 388 CG2 THR A 349 96.130 11.422 -6.387 1.00 0.00 C ATOM 0 H THR A 349 98.477 10.249 -2.858 1.00 0.00 H new ATOM 0 HA THR A 349 98.080 12.296 -4.862 1.00 0.00 H new ATOM 0 HB THR A 349 96.391 9.774 -5.030 1.00 0.00 H new ATOM 0 HG1 THR A 349 98.804 10.516 -6.319 1.00 0.00 H new ATOM 0 HG21 THR A 349 95.668 10.809 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 349 95.353 11.891 -5.784 1.00 0.00 H new ATOM 0 HG23 THR A 349 96.743 12.193 -6.853 1.00 0.00 H new ATOM 396 N LEU A 350 96.598 13.090 -3.025 1.00 0.00 N ATOM 397 CA LEU A 350 95.636 13.592 -2.051 1.00 0.00 C ATOM 398 C LEU A 350 94.232 13.587 -2.645 1.00 0.00 C ATOM 399 O LEU A 350 93.954 12.853 -3.592 1.00 0.00 O ATOM 400 CB LEU A 350 96.008 15.015 -1.627 1.00 0.00 C ATOM 401 CG LEU A 350 97.494 15.079 -1.258 1.00 0.00 C ATOM 402 CD1 LEU A 350 97.875 16.527 -0.943 1.00 0.00 C ATOM 403 CD2 LEU A 350 97.764 14.199 -0.029 1.00 0.00 C ATOM 0 H LEU A 350 97.240 13.793 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 350 95.656 12.941 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 350 95.795 15.712 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.400 15.321 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 350 98.090 14.716 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 350 98.932 16.576 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 350 97.689 17.151 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 350 97.276 16.887 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 350 98.822 14.248 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 350 97.169 14.556 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 350 97.493 13.167 -0.254 1.00 0.00 H new ATOM 415 N GLN A 351 93.349 14.409 -2.082 1.00 0.00 N ATOM 416 CA GLN A 351 91.969 14.495 -2.559 1.00 0.00 C ATOM 417 C GLN A 351 91.466 15.931 -2.451 1.00 0.00 C ATOM 418 O GLN A 351 91.670 16.594 -1.435 1.00 0.00 O ATOM 419 CB GLN A 351 91.074 13.573 -1.728 1.00 0.00 C ATOM 420 CG GLN A 351 89.619 13.729 -2.176 1.00 0.00 C ATOM 421 CD GLN A 351 88.770 12.612 -1.578 1.00 0.00 C ATOM 422 OE1 GLN A 351 88.983 11.439 -1.883 1.00 0.00 O ATOM 423 NE2 GLN A 351 87.816 12.908 -0.740 1.00 0.00 N ATOM 0 H GLN A 351 93.563 15.024 -1.297 1.00 0.00 H new ATOM 0 HA GLN A 351 91.937 14.184 -3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 351 91.392 12.537 -1.846 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.167 13.816 -0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.234 14.699 -1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 351 89.559 13.701 -3.264 1.00 0.00 H new ATOM 0 HE21 GLN A 351 87.642 13.881 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 351 87.244 12.166 -0.336 1.00 0.00 H new ATOM 432 N LEU A 352 90.808 16.409 -3.502 1.00 0.00 N ATOM 433 CA LEU A 352 90.286 17.770 -3.503 1.00 0.00 C ATOM 434 C LEU A 352 89.043 17.871 -2.625 1.00 0.00 C ATOM 435 O LEU A 352 88.880 18.833 -1.875 1.00 0.00 O ATOM 436 CB LEU A 352 89.947 18.201 -4.932 1.00 0.00 C ATOM 437 CG LEU A 352 91.092 17.815 -5.872 1.00 0.00 C ATOM 438 CD1 LEU A 352 90.779 18.312 -7.285 1.00 0.00 C ATOM 439 CD2 LEU A 352 92.400 18.451 -5.384 1.00 0.00 C ATOM 0 H LEU A 352 90.625 15.881 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 352 91.052 18.432 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 352 89.021 17.725 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 352 89.781 19.278 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 352 91.201 16.731 -5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 352 91.593 18.038 -7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 352 89.852 17.856 -7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 352 90.668 19.396 -7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 352 93.212 18.174 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 352 92.294 19.536 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 352 92.624 18.096 -4.378 1.00 0.00 H new ATOM 451 N SER A 353 88.169 16.874 -2.719 1.00 0.00 N ATOM 452 CA SER A 353 86.948 16.869 -1.921 1.00 0.00 C ATOM 453 C SER A 353 86.298 15.492 -1.930 1.00 0.00 C ATOM 454 O SER A 353 86.915 14.504 -2.330 1.00 0.00 O ATOM 455 CB SER A 353 85.962 17.900 -2.468 1.00 0.00 C ATOM 456 OG SER A 353 84.817 17.947 -1.626 1.00 0.00 O ATOM 0 H SER A 353 88.281 16.067 -3.333 1.00 0.00 H new ATOM 0 HA SER A 353 87.213 17.124 -0.895 1.00 0.00 H new ATOM 0 HB2 SER A 353 86.433 18.882 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 353 85.670 17.637 -3.485 1.00 0.00 H new ATOM 0 HG SER A 353 84.183 18.609 -1.973 1.00 0.00 H new ATOM 462 N SER A 354 85.045 15.434 -1.483 1.00 0.00 N ATOM 463 CA SER A 354 84.311 14.171 -1.440 1.00 0.00 C ATOM 464 C SER A 354 82.809 14.425 -1.532 1.00 0.00 C ATOM 465 O SER A 354 82.340 15.538 -1.295 1.00 0.00 O ATOM 466 CB SER A 354 84.624 13.433 -0.137 1.00 0.00 C ATOM 467 OG SER A 354 83.789 13.933 0.898 1.00 0.00 O ATOM 0 H SER A 354 84.520 16.241 -1.147 1.00 0.00 H new ATOM 0 HA SER A 354 84.620 13.560 -2.289 1.00 0.00 H new ATOM 0 HB2 SER A 354 84.463 12.362 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 354 85.672 13.569 0.128 1.00 0.00 H new ATOM 0 HG SER A 354 83.986 13.461 1.734 1.00 0.00 H new ATOM 473 N SER A 355 82.062 13.381 -1.875 1.00 0.00 N ATOM 474 CA SER A 355 80.613 13.492 -1.994 1.00 0.00 C ATOM 475 C SER A 355 80.022 12.159 -2.458 1.00 0.00 C ATOM 476 O SER A 355 80.733 11.161 -2.564 1.00 0.00 O ATOM 477 CB SER A 355 80.253 14.621 -2.975 1.00 0.00 C ATOM 478 OG SER A 355 80.035 15.819 -2.243 1.00 0.00 O ATOM 0 H SER A 355 82.434 12.452 -2.075 1.00 0.00 H new ATOM 0 HA SER A 355 80.189 13.734 -1.019 1.00 0.00 H new ATOM 0 HB2 SER A 355 81.057 14.762 -3.697 1.00 0.00 H new ATOM 0 HB3 SER A 355 79.359 14.357 -3.540 1.00 0.00 H new ATOM 0 HG SER A 355 80.709 15.897 -1.536 1.00 0.00 H new ATOM 484 N SER A 356 78.716 12.150 -2.722 1.00 0.00 N ATOM 485 CA SER A 356 78.034 10.932 -3.166 1.00 0.00 C ATOM 486 C SER A 356 77.018 11.251 -4.256 1.00 0.00 C ATOM 487 O SER A 356 75.875 10.795 -4.205 1.00 0.00 O ATOM 488 CB SER A 356 77.321 10.277 -1.982 1.00 0.00 C ATOM 489 OG SER A 356 76.883 8.978 -2.356 1.00 0.00 O ATOM 0 H SER A 356 78.111 12.967 -2.637 1.00 0.00 H new ATOM 0 HA SER A 356 78.780 10.248 -3.570 1.00 0.00 H new ATOM 0 HB2 SER A 356 77.994 10.214 -1.127 1.00 0.00 H new ATOM 0 HB3 SER A 356 76.471 10.885 -1.674 1.00 0.00 H new ATOM 0 HG SER A 356 76.235 9.049 -3.087 1.00 0.00 H new ATOM 495 N ASN A 357 77.442 12.033 -5.243 1.00 0.00 N ATOM 496 CA ASN A 357 76.562 12.408 -6.345 1.00 0.00 C ATOM 497 C ASN A 357 77.382 12.957 -7.511 1.00 0.00 C ATOM 498 O ASN A 357 78.106 13.942 -7.364 1.00 0.00 O ATOM 499 CB ASN A 357 75.556 13.466 -5.875 1.00 0.00 C ATOM 500 CG ASN A 357 74.447 12.812 -5.056 1.00 0.00 C ATOM 501 OD1 ASN A 357 74.040 13.346 -4.024 1.00 0.00 O ATOM 502 ND2 ASN A 357 73.933 11.682 -5.457 1.00 0.00 N ATOM 0 H ASN A 357 78.385 12.418 -5.303 1.00 0.00 H new ATOM 0 HA ASN A 357 76.021 11.522 -6.678 1.00 0.00 H new ATOM 0 HB2 ASN A 357 76.065 14.221 -5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.128 13.979 -6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 357 73.192 11.238 -4.915 1.00 0.00 H new ATOM 0 HD22 ASN A 357 74.273 11.242 -6.312 1.00 0.00 H new ATOM 509 N TYR A 358 77.261 12.315 -8.670 1.00 0.00 N ATOM 510 CA TYR A 358 77.995 12.749 -9.853 1.00 0.00 C ATOM 511 C TYR A 358 77.435 14.069 -10.376 1.00 0.00 C ATOM 512 O TYR A 358 78.176 15.028 -10.591 1.00 0.00 O ATOM 513 CB TYR A 358 77.902 11.684 -10.947 1.00 0.00 C ATOM 514 CG TYR A 358 78.646 12.153 -12.175 1.00 0.00 C ATOM 515 CD1 TYR A 358 78.035 13.047 -13.063 1.00 0.00 C ATOM 516 CD2 TYR A 358 79.946 11.695 -12.428 1.00 0.00 C ATOM 517 CE1 TYR A 358 78.722 13.484 -14.202 1.00 0.00 C ATOM 518 CE2 TYR A 358 80.633 12.132 -13.567 1.00 0.00 C ATOM 519 CZ TYR A 358 80.020 13.025 -14.454 1.00 0.00 C ATOM 520 OH TYR A 358 80.697 13.456 -15.577 1.00 0.00 O ATOM 0 H TYR A 358 76.666 11.499 -8.814 1.00 0.00 H new ATOM 0 HA TYR A 358 79.039 12.894 -9.576 1.00 0.00 H new ATOM 0 HB2 TYR A 358 78.324 10.744 -10.591 1.00 0.00 H new ATOM 0 HB3 TYR A 358 76.858 11.491 -11.193 1.00 0.00 H new ATOM 0 HD1 TYR A 358 77.033 13.400 -12.869 1.00 0.00 H new ATOM 0 HD2 TYR A 358 80.418 11.005 -11.744 1.00 0.00 H new ATOM 0 HE1 TYR A 358 78.251 14.175 -14.886 1.00 0.00 H new ATOM 0 HE2 TYR A 358 81.635 11.780 -13.761 1.00 0.00 H new ATOM 0 HH TYR A 358 81.586 13.043 -15.602 1.00 0.00 H new ATOM 530 N ASP A 359 76.123 14.111 -10.580 1.00 0.00 N ATOM 531 CA ASP A 359 75.478 15.319 -11.080 1.00 0.00 C ATOM 532 C ASP A 359 75.812 16.515 -10.194 1.00 0.00 C ATOM 533 O ASP A 359 76.292 17.541 -10.676 1.00 0.00 O ATOM 534 CB ASP A 359 73.961 15.120 -11.120 1.00 0.00 C ATOM 535 CG ASP A 359 73.612 13.954 -12.039 1.00 0.00 C ATOM 536 OD1 ASP A 359 73.974 14.015 -13.203 1.00 0.00 O ATOM 537 OD2 ASP A 359 72.989 13.018 -11.566 1.00 0.00 O ATOM 0 H ASP A 359 75.490 13.330 -10.409 1.00 0.00 H new ATOM 0 HA ASP A 359 75.848 15.515 -12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.585 14.927 -10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 359 73.476 16.030 -11.473 1.00 0.00 H new ATOM 542 N ASN A 360 75.552 16.378 -8.898 1.00 0.00 N ATOM 543 CA ASN A 360 75.826 17.457 -7.955 1.00 0.00 C ATOM 544 C ASN A 360 77.307 17.824 -7.973 1.00 0.00 C ATOM 545 O ASN A 360 77.664 18.999 -7.891 1.00 0.00 O ATOM 546 CB ASN A 360 75.420 17.033 -6.542 1.00 0.00 C ATOM 547 CG ASN A 360 75.318 18.258 -5.637 1.00 0.00 C ATOM 548 OD1 ASN A 360 74.377 18.372 -4.850 1.00 0.00 O ATOM 549 ND2 ASN A 360 76.234 19.185 -5.703 1.00 0.00 N ATOM 0 H ASN A 360 75.155 15.537 -8.479 1.00 0.00 H new ATOM 0 HA ASN A 360 75.244 18.329 -8.253 1.00 0.00 H new ATOM 0 HB2 ASN A 360 74.463 16.512 -6.571 1.00 0.00 H new ATOM 0 HB3 ASN A 360 76.152 16.333 -6.139 1.00 0.00 H new ATOM 0 HD21 ASN A 360 76.172 20.007 -5.102 1.00 0.00 H new ATOM 0 HD22 ASN A 360 77.012 19.088 -6.356 1.00 0.00 H new ATOM 556 N LEU A 361 78.165 16.814 -8.081 1.00 0.00 N ATOM 557 CA LEU A 361 79.603 17.053 -8.109 1.00 0.00 C ATOM 558 C LEU A 361 79.957 17.970 -9.274 1.00 0.00 C ATOM 559 O LEU A 361 80.580 19.015 -9.083 1.00 0.00 O ATOM 560 CB LEU A 361 80.355 15.721 -8.240 1.00 0.00 C ATOM 561 CG LEU A 361 81.864 15.969 -8.417 1.00 0.00 C ATOM 562 CD1 LEU A 361 82.389 16.866 -7.284 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.609 14.623 -8.411 1.00 0.00 C ATOM 0 H LEU A 361 77.893 15.833 -8.150 1.00 0.00 H new ATOM 0 HA LEU A 361 79.899 17.535 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 361 80.182 15.110 -7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 361 79.970 15.162 -9.093 1.00 0.00 H new ATOM 0 HG LEU A 361 82.036 16.472 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 361 83.457 17.035 -7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 361 81.865 17.822 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 361 82.217 16.378 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.678 14.798 -8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.433 14.114 -7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.245 14.002 -9.229 1.00 0.00 H new ATOM 575 N ASN A 362 79.555 17.568 -10.480 1.00 0.00 N ATOM 576 CA ASN A 362 79.831 18.356 -11.682 1.00 0.00 C ATOM 577 C ASN A 362 79.714 19.849 -11.386 1.00 0.00 C ATOM 578 O ASN A 362 80.488 20.658 -11.897 1.00 0.00 O ATOM 579 CB ASN A 362 78.848 17.977 -12.793 1.00 0.00 C ATOM 580 CG ASN A 362 79.290 18.596 -14.113 1.00 0.00 C ATOM 581 OD1 ASN A 362 80.394 18.326 -14.588 1.00 0.00 O ATOM 582 ND2 ASN A 362 78.491 19.415 -14.740 1.00 0.00 N ATOM 0 H ASN A 362 79.039 16.705 -10.651 1.00 0.00 H new ATOM 0 HA ASN A 362 80.849 18.141 -12.007 1.00 0.00 H new ATOM 0 HB2 ASN A 362 78.796 16.893 -12.890 1.00 0.00 H new ATOM 0 HB3 ASN A 362 77.846 18.322 -12.537 1.00 0.00 H new ATOM 0 HD21 ASN A 362 78.780 19.832 -15.625 1.00 0.00 H new ATOM 0 HD22 ASN A 362 77.577 19.638 -14.346 1.00 0.00 H new ATOM 589 N GLY A 363 78.744 20.200 -10.549 1.00 0.00 N ATOM 590 CA GLY A 363 78.537 21.593 -10.179 1.00 0.00 C ATOM 591 C GLY A 363 79.782 22.163 -9.506 1.00 0.00 C ATOM 592 O GLY A 363 80.382 23.118 -9.999 1.00 0.00 O ATOM 0 H GLY A 363 78.093 19.544 -10.117 1.00 0.00 H new ATOM 0 HA2 GLY A 363 78.297 22.178 -11.067 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.684 21.672 -9.505 1.00 0.00 H new ATOM 596 N TRP A 364 80.163 21.574 -8.374 1.00 0.00 N ATOM 597 CA TRP A 364 81.338 22.039 -7.644 1.00 0.00 C ATOM 598 C TRP A 364 82.575 22.030 -8.536 1.00 0.00 C ATOM 599 O TRP A 364 83.156 23.077 -8.816 1.00 0.00 O ATOM 600 CB TRP A 364 81.591 21.150 -6.424 1.00 0.00 C ATOM 601 CG TRP A 364 82.779 21.674 -5.685 1.00 0.00 C ATOM 602 CD1 TRP A 364 82.856 22.902 -5.123 1.00 0.00 C ATOM 603 CD2 TRP A 364 84.060 21.024 -5.427 1.00 0.00 C ATOM 604 NE1 TRP A 364 84.100 23.050 -4.537 1.00 0.00 N ATOM 605 CE2 TRP A 364 84.878 21.921 -4.699 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.591 19.757 -5.748 1.00 0.00 C ATOM 607 CZ2 TRP A 364 86.172 21.578 -4.306 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.893 19.413 -5.353 1.00 0.00 C ATOM 609 CH2 TRP A 364 86.681 20.322 -4.636 1.00 0.00 C ATOM 0 H TRP A 364 79.681 20.783 -7.947 1.00 0.00 H new ATOM 0 HA TRP A 364 81.145 23.061 -7.319 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.716 21.142 -5.775 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.765 20.120 -6.737 1.00 0.00 H new ATOM 0 HD1 TRP A 364 82.073 23.646 -5.131 1.00 0.00 H new ATOM 0 HE1 TRP A 364 84.405 23.890 -4.046 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.992 19.048 -6.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 86.775 22.280 -3.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 86.290 18.440 -5.604 1.00 0.00 H new ATOM 0 HH2 TRP A 364 87.683 20.050 -4.339 1.00 0.00 H new ATOM 620 N ALA A 365 82.976 20.838 -8.974 1.00 0.00 N ATOM 621 CA ALA A 365 84.153 20.697 -9.829 1.00 0.00 C ATOM 622 C ALA A 365 84.220 21.825 -10.856 1.00 0.00 C ATOM 623 O ALA A 365 85.285 22.395 -11.097 1.00 0.00 O ATOM 624 CB ALA A 365 84.111 19.350 -10.553 1.00 0.00 C ATOM 0 H ALA A 365 82.506 19.960 -8.752 1.00 0.00 H new ATOM 0 HA ALA A 365 85.040 20.748 -9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 365 84.991 19.251 -11.189 1.00 0.00 H new ATOM 0 HB2 ALA A 365 84.100 18.543 -9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.212 19.295 -11.167 1.00 0.00 H new ATOM 630 N LYS A 366 83.077 22.145 -11.453 1.00 0.00 N ATOM 631 CA LYS A 366 83.018 23.210 -12.448 1.00 0.00 C ATOM 632 C LYS A 366 83.007 24.575 -11.767 1.00 0.00 C ATOM 633 O LYS A 366 83.475 25.565 -12.331 1.00 0.00 O ATOM 634 CB LYS A 366 81.758 23.055 -13.308 1.00 0.00 C ATOM 635 CG LYS A 366 81.794 21.718 -14.068 1.00 0.00 C ATOM 636 CD LYS A 366 82.610 21.859 -15.360 1.00 0.00 C ATOM 637 CE LYS A 366 82.505 20.566 -16.171 1.00 0.00 C ATOM 638 NZ LYS A 366 82.924 19.413 -15.325 1.00 0.00 N ATOM 0 H LYS A 366 82.185 21.686 -11.267 1.00 0.00 H new ATOM 0 HA LYS A 366 83.901 23.139 -13.084 1.00 0.00 H new ATOM 0 HB2 LYS A 366 80.870 23.099 -12.677 1.00 0.00 H new ATOM 0 HB3 LYS A 366 81.688 23.882 -14.015 1.00 0.00 H new ATOM 0 HG2 LYS A 366 82.232 20.945 -13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 366 80.779 21.399 -14.304 1.00 0.00 H new ATOM 0 HD2 LYS A 366 82.241 22.700 -15.947 1.00 0.00 H new ATOM 0 HD3 LYS A 366 83.653 22.069 -15.123 1.00 0.00 H new ATOM 0 HE2 LYS A 366 81.481 20.424 -16.517 1.00 0.00 H new ATOM 0 HE3 LYS A 366 83.136 20.628 -17.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 83.458 18.734 -15.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 83.525 19.753 -14.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 82.082 18.946 -14.933 1.00 0.00 H new ATOM 652 N LYS A 367 82.469 24.622 -10.552 1.00 0.00 N ATOM 653 CA LYS A 367 82.401 25.871 -9.804 1.00 0.00 C ATOM 654 C LYS A 367 83.803 26.370 -9.466 1.00 0.00 C ATOM 655 O LYS A 367 84.236 27.413 -9.957 1.00 0.00 O ATOM 656 CB LYS A 367 81.606 25.667 -8.514 1.00 0.00 C ATOM 657 CG LYS A 367 81.246 27.028 -7.913 1.00 0.00 C ATOM 658 CD LYS A 367 80.459 26.824 -6.618 1.00 0.00 C ATOM 659 CE LYS A 367 80.319 28.161 -5.889 1.00 0.00 C ATOM 660 NZ LYS A 367 79.886 29.211 -6.854 1.00 0.00 N ATOM 0 H LYS A 367 82.076 23.815 -10.068 1.00 0.00 H new ATOM 0 HA LYS A 367 81.901 26.616 -10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 367 80.700 25.098 -8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 367 82.192 25.087 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 367 82.152 27.600 -7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 367 80.654 27.606 -8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 367 79.474 26.414 -6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 367 80.969 26.102 -5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 367 79.592 28.073 -5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 367 81.269 28.440 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 79.470 30.010 -6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 80.708 29.543 -7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 79.178 28.814 -7.504 1.00 0.00 H new ATOM 674 N GLU A 368 84.508 25.619 -8.625 1.00 0.00 N ATOM 675 CA GLU A 368 85.861 25.998 -8.232 1.00 0.00 C ATOM 676 C GLU A 368 86.778 26.038 -9.451 1.00 0.00 C ATOM 677 O GLU A 368 87.903 26.530 -9.378 1.00 0.00 O ATOM 678 CB GLU A 368 86.411 24.998 -7.210 1.00 0.00 C ATOM 679 CG GLU A 368 85.736 25.225 -5.855 1.00 0.00 C ATOM 680 CD GLU A 368 86.223 26.532 -5.241 1.00 0.00 C ATOM 681 OE1 GLU A 368 87.415 26.649 -5.013 1.00 0.00 O ATOM 682 OE2 GLU A 368 85.396 27.398 -5.007 1.00 0.00 O ATOM 0 H GLU A 368 84.169 24.753 -8.206 1.00 0.00 H new ATOM 0 HA GLU A 368 85.824 26.990 -7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 368 86.231 23.978 -7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 368 87.490 25.117 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 368 84.653 25.253 -5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 368 85.958 24.394 -5.185 1.00 0.00 H new ATOM 689 N ASN A 369 86.285 25.517 -10.570 1.00 0.00 N ATOM 690 CA ASN A 369 87.064 25.498 -11.801 1.00 0.00 C ATOM 691 C ASN A 369 88.340 24.683 -11.620 1.00 0.00 C ATOM 692 O ASN A 369 89.433 25.142 -11.951 1.00 0.00 O ATOM 693 CB ASN A 369 87.423 26.927 -12.215 1.00 0.00 C ATOM 694 CG ASN A 369 87.882 26.952 -13.670 1.00 0.00 C ATOM 695 OD1 ASN A 369 88.980 26.493 -13.983 1.00 0.00 O ATOM 696 ND2 ASN A 369 87.102 27.464 -14.581 1.00 0.00 N ATOM 0 H ASN A 369 85.355 25.105 -10.649 1.00 0.00 H new ATOM 0 HA ASN A 369 86.460 25.034 -12.581 1.00 0.00 H new ATOM 0 HB2 ASN A 369 86.559 27.579 -12.087 1.00 0.00 H new ATOM 0 HB3 ASN A 369 88.212 27.313 -11.570 1.00 0.00 H new ATOM 0 HD21 ASN A 369 87.402 27.485 -15.556 1.00 0.00 H new ATOM 0 HD22 ASN A 369 86.192 27.844 -14.319 1.00 0.00 H new ATOM 703 N LEU A 370 88.194 23.468 -11.100 1.00 0.00 N ATOM 704 CA LEU A 370 89.347 22.598 -10.888 1.00 0.00 C ATOM 705 C LEU A 370 90.086 22.378 -12.204 1.00 0.00 C ATOM 706 O LEU A 370 89.560 21.750 -13.123 1.00 0.00 O ATOM 707 CB LEU A 370 88.895 21.247 -10.324 1.00 0.00 C ATOM 708 CG LEU A 370 87.899 21.460 -9.179 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.509 20.103 -8.587 1.00 0.00 C ATOM 710 CD2 LEU A 370 88.543 22.326 -8.089 1.00 0.00 C ATOM 0 H LEU A 370 87.299 23.066 -10.820 1.00 0.00 H new ATOM 0 HA LEU A 370 90.017 23.078 -10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.433 20.652 -11.112 1.00 0.00 H new ATOM 0 HB3 LEU A 370 89.759 20.687 -9.966 1.00 0.00 H new ATOM 0 HG LEU A 370 87.010 21.962 -9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 370 86.800 20.252 -7.772 1.00 0.00 H new ATOM 0 HD12 LEU A 370 87.049 19.487 -9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.399 19.602 -8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 370 87.832 22.476 -7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.433 21.826 -7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 370 88.822 23.292 -8.509 1.00 0.00 H new ATOM 722 N LYS A 371 91.307 22.900 -12.294 1.00 0.00 N ATOM 723 CA LYS A 371 92.107 22.756 -13.508 1.00 0.00 C ATOM 724 C LYS A 371 92.867 21.433 -13.496 1.00 0.00 C ATOM 725 O LYS A 371 93.292 20.960 -12.442 1.00 0.00 O ATOM 726 CB LYS A 371 93.101 23.913 -13.615 1.00 0.00 C ATOM 727 CG LYS A 371 92.340 25.241 -13.608 1.00 0.00 C ATOM 728 CD LYS A 371 93.337 26.402 -13.586 1.00 0.00 C ATOM 729 CE LYS A 371 92.583 27.717 -13.391 1.00 0.00 C ATOM 730 NZ LYS A 371 91.381 27.737 -14.271 1.00 0.00 N ATOM 0 H LYS A 371 91.762 23.423 -11.546 1.00 0.00 H new ATOM 0 HA LYS A 371 91.436 22.769 -14.367 1.00 0.00 H new ATOM 0 HB2 LYS A 371 93.805 23.880 -12.783 1.00 0.00 H new ATOM 0 HB3 LYS A 371 93.685 23.821 -14.531 1.00 0.00 H new ATOM 0 HG2 LYS A 371 91.703 25.312 -14.490 1.00 0.00 H new ATOM 0 HG3 LYS A 371 91.686 25.293 -12.737 1.00 0.00 H new ATOM 0 HD2 LYS A 371 94.058 26.261 -12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 371 93.901 26.429 -14.518 1.00 0.00 H new ATOM 0 HE2 LYS A 371 92.285 27.826 -12.348 1.00 0.00 H new ATOM 0 HE3 LYS A 371 93.233 28.560 -13.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 91.104 28.722 -14.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 91.601 27.262 -15.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 90.598 27.241 -13.800 1.00 0.00 H new ATOM 744 N ASN A 372 93.032 20.842 -14.675 1.00 0.00 N ATOM 745 CA ASN A 372 93.742 19.573 -14.790 1.00 0.00 C ATOM 746 C ASN A 372 93.137 18.536 -13.850 1.00 0.00 C ATOM 747 O ASN A 372 93.588 18.374 -12.715 1.00 0.00 O ATOM 748 CB ASN A 372 95.222 19.769 -14.452 1.00 0.00 C ATOM 749 CG ASN A 372 95.990 18.476 -14.706 1.00 0.00 C ATOM 750 OD1 ASN A 372 95.781 17.819 -15.726 1.00 0.00 O ATOM 751 ND2 ASN A 372 96.872 18.070 -13.834 1.00 0.00 N ATOM 0 H ASN A 372 92.687 21.218 -15.558 1.00 0.00 H new ATOM 0 HA ASN A 372 93.649 19.217 -15.816 1.00 0.00 H new ATOM 0 HB2 ASN A 372 95.638 20.574 -15.057 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.329 20.067 -13.409 1.00 0.00 H new ATOM 0 HD21 ASN A 372 97.390 17.207 -13.997 1.00 0.00 H new ATOM 0 HD22 ASN A 372 97.043 18.616 -12.990 1.00 0.00 H new ATOM 758 N TYR A 373 92.115 17.836 -14.328 1.00 0.00 N ATOM 759 CA TYR A 373 91.456 16.817 -13.519 1.00 0.00 C ATOM 760 C TYR A 373 90.616 15.895 -14.397 1.00 0.00 C ATOM 761 O TYR A 373 90.240 16.254 -15.513 1.00 0.00 O ATOM 762 CB TYR A 373 90.566 17.482 -12.464 1.00 0.00 C ATOM 763 CG TYR A 373 89.376 18.135 -13.136 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.563 19.258 -13.949 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.089 17.615 -12.946 1.00 0.00 C ATOM 766 CE1 TYR A 373 88.464 19.861 -14.573 1.00 0.00 C ATOM 767 CE2 TYR A 373 86.991 18.219 -13.570 1.00 0.00 C ATOM 768 CZ TYR A 373 87.178 19.342 -14.384 1.00 0.00 C ATOM 769 OH TYR A 373 86.096 19.937 -15.000 1.00 0.00 O ATOM 0 H TYR A 373 91.727 17.953 -15.264 1.00 0.00 H new ATOM 0 HA TYR A 373 92.222 16.222 -13.021 1.00 0.00 H new ATOM 0 HB2 TYR A 373 90.226 16.740 -11.742 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.137 18.227 -11.910 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.555 19.660 -14.095 1.00 0.00 H new ATOM 0 HD2 TYR A 373 87.944 16.748 -12.318 1.00 0.00 H new ATOM 0 HE1 TYR A 373 88.609 20.728 -15.201 1.00 0.00 H new ATOM 0 HE2 TYR A 373 85.999 17.818 -13.423 1.00 0.00 H new ATOM 0 HH TYR A 373 85.756 19.347 -15.705 1.00 0.00 H new ATOM 779 N VAL A 374 90.329 14.702 -13.883 1.00 0.00 N ATOM 780 CA VAL A 374 89.535 13.720 -14.620 1.00 0.00 C ATOM 781 C VAL A 374 88.582 12.990 -13.677 1.00 0.00 C ATOM 782 O VAL A 374 89.007 12.377 -12.698 1.00 0.00 O ATOM 783 CB VAL A 374 90.465 12.712 -15.308 1.00 0.00 C ATOM 784 CG1 VAL A 374 91.069 13.342 -16.566 1.00 0.00 C ATOM 785 CG2 VAL A 374 91.597 12.320 -14.352 1.00 0.00 C ATOM 0 H VAL A 374 90.633 14.391 -12.960 1.00 0.00 H new ATOM 0 HA VAL A 374 88.946 14.240 -15.376 1.00 0.00 H new ATOM 0 HB VAL A 374 89.891 11.827 -15.581 1.00 0.00 H new ATOM 0 HG11 VAL A 374 91.729 12.623 -17.052 1.00 0.00 H new ATOM 0 HG12 VAL A 374 90.270 13.622 -17.252 1.00 0.00 H new ATOM 0 HG13 VAL A 374 91.639 14.229 -16.291 1.00 0.00 H new ATOM 0 HG21 VAL A 374 92.256 11.604 -14.843 1.00 0.00 H new ATOM 0 HG22 VAL A 374 92.166 13.208 -14.078 1.00 0.00 H new ATOM 0 HG23 VAL A 374 91.175 11.868 -13.454 1.00 0.00 H new ATOM 795 N VAL A 375 87.290 13.063 -13.981 1.00 0.00 N ATOM 796 CA VAL A 375 86.280 12.406 -13.159 1.00 0.00 C ATOM 797 C VAL A 375 86.206 10.921 -13.499 1.00 0.00 C ATOM 798 O VAL A 375 86.060 10.549 -14.663 1.00 0.00 O ATOM 799 CB VAL A 375 84.915 13.057 -13.396 1.00 0.00 C ATOM 800 CG1 VAL A 375 83.943 12.628 -12.295 1.00 0.00 C ATOM 801 CG2 VAL A 375 85.068 14.580 -13.375 1.00 0.00 C ATOM 0 H VAL A 375 86.919 13.568 -14.786 1.00 0.00 H new ATOM 0 HA VAL A 375 86.556 12.515 -12.110 1.00 0.00 H new ATOM 0 HB VAL A 375 84.526 12.742 -14.364 1.00 0.00 H new ATOM 0 HG11 VAL A 375 82.972 13.093 -12.466 1.00 0.00 H new ATOM 0 HG12 VAL A 375 83.834 11.544 -12.308 1.00 0.00 H new ATOM 0 HG13 VAL A 375 84.330 12.942 -11.326 1.00 0.00 H new ATOM 0 HG21 VAL A 375 84.097 15.046 -13.544 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.457 14.893 -12.406 1.00 0.00 H new ATOM 0 HG23 VAL A 375 85.759 14.887 -14.160 1.00 0.00 H new ATOM 811 N TYR A 376 86.315 10.075 -12.477 1.00 0.00 N ATOM 812 CA TYR A 376 86.267 8.627 -12.682 1.00 0.00 C ATOM 813 C TYR A 376 85.661 7.929 -11.469 1.00 0.00 C ATOM 814 O TYR A 376 85.440 8.550 -10.431 1.00 0.00 O ATOM 815 CB TYR A 376 87.681 8.093 -12.939 1.00 0.00 C ATOM 816 CG TYR A 376 88.501 8.170 -11.667 1.00 0.00 C ATOM 817 CD1 TYR A 376 88.855 9.418 -11.134 1.00 0.00 C ATOM 818 CD2 TYR A 376 88.907 6.995 -11.020 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.611 9.488 -9.958 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.665 7.067 -9.845 1.00 0.00 C ATOM 821 CZ TYR A 376 90.016 8.313 -9.314 1.00 0.00 C ATOM 822 OH TYR A 376 90.762 8.384 -8.156 1.00 0.00 O ATOM 0 H TYR A 376 86.436 10.363 -11.506 1.00 0.00 H new ATOM 0 HA TYR A 376 85.638 8.420 -13.548 1.00 0.00 H new ATOM 0 HB2 TYR A 376 87.632 7.062 -13.288 1.00 0.00 H new ATOM 0 HB3 TYR A 376 88.161 8.674 -13.727 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.544 10.325 -11.631 1.00 0.00 H new ATOM 0 HD2 TYR A 376 88.635 6.033 -11.428 1.00 0.00 H new ATOM 0 HE1 TYR A 376 89.882 10.449 -9.547 1.00 0.00 H new ATOM 0 HE2 TYR A 376 89.979 6.161 -9.348 1.00 0.00 H new ATOM 0 HH TYR A 376 90.958 7.478 -7.837 1.00 0.00 H new ATOM 832 N GLU A 377 85.393 6.632 -11.611 1.00 0.00 N ATOM 833 CA GLU A 377 84.806 5.849 -10.522 1.00 0.00 C ATOM 834 C GLU A 377 85.893 5.215 -9.660 1.00 0.00 C ATOM 835 O GLU A 377 87.001 4.956 -10.127 1.00 0.00 O ATOM 836 CB GLU A 377 83.905 4.751 -11.100 1.00 0.00 C ATOM 837 CG GLU A 377 84.724 3.822 -12.005 1.00 0.00 C ATOM 838 CD GLU A 377 85.494 2.806 -11.165 1.00 0.00 C ATOM 839 OE1 GLU A 377 84.856 2.062 -10.439 1.00 0.00 O ATOM 840 OE2 GLU A 377 86.709 2.788 -11.261 1.00 0.00 O ATOM 0 H GLU A 377 85.571 6.102 -12.464 1.00 0.00 H new ATOM 0 HA GLU A 377 84.215 6.519 -9.898 1.00 0.00 H new ATOM 0 HB2 GLU A 377 83.452 4.178 -10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 377 83.090 5.200 -11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 377 84.062 3.303 -12.699 1.00 0.00 H new ATOM 0 HG3 GLU A 377 85.419 4.409 -12.606 1.00 0.00 H new ATOM 847 N THR A 378 85.563 4.966 -8.397 1.00 0.00 N ATOM 848 CA THR A 378 86.509 4.359 -7.468 1.00 0.00 C ATOM 849 C THR A 378 85.767 3.801 -6.255 1.00 0.00 C ATOM 850 O THR A 378 84.545 3.662 -6.279 1.00 0.00 O ATOM 851 CB THR A 378 87.562 5.395 -7.028 1.00 0.00 C ATOM 852 OG1 THR A 378 88.724 4.714 -6.576 1.00 0.00 O ATOM 853 CG2 THR A 378 87.020 6.279 -5.892 1.00 0.00 C ATOM 0 H THR A 378 84.650 5.175 -7.994 1.00 0.00 H new ATOM 0 HA THR A 378 87.021 3.538 -7.970 1.00 0.00 H new ATOM 0 HB THR A 378 87.802 6.032 -7.879 1.00 0.00 H new ATOM 0 HG1 THR A 378 89.398 5.368 -6.296 1.00 0.00 H new ATOM 0 HG21 THR A 378 87.781 7.002 -5.599 1.00 0.00 H new ATOM 0 HG22 THR A 378 86.131 6.807 -6.235 1.00 0.00 H new ATOM 0 HG23 THR A 378 86.764 5.655 -5.036 1.00 0.00 H new ATOM 861 N THR A 379 86.511 3.489 -5.194 1.00 0.00 N ATOM 862 CA THR A 379 85.916 2.955 -3.967 1.00 0.00 C ATOM 863 C THR A 379 86.107 3.934 -2.814 1.00 0.00 C ATOM 864 O THR A 379 87.060 4.713 -2.798 1.00 0.00 O ATOM 865 CB THR A 379 86.567 1.618 -3.609 1.00 0.00 C ATOM 866 OG1 THR A 379 87.896 1.847 -3.159 1.00 0.00 O ATOM 867 CG2 THR A 379 86.594 0.713 -4.841 1.00 0.00 C ATOM 0 H THR A 379 87.525 3.596 -5.158 1.00 0.00 H new ATOM 0 HA THR A 379 84.850 2.807 -4.137 1.00 0.00 H new ATOM 0 HB THR A 379 85.992 1.134 -2.819 1.00 0.00 H new ATOM 0 HG1 THR A 379 88.315 0.992 -2.927 1.00 0.00 H new ATOM 0 HG21 THR A 379 87.058 -0.239 -4.583 1.00 0.00 H new ATOM 0 HG22 THR A 379 85.575 0.538 -5.186 1.00 0.00 H new ATOM 0 HG23 THR A 379 87.168 1.194 -5.633 1.00 0.00 H new ATOM 875 N ARG A 380 85.196 3.884 -1.849 1.00 0.00 N ATOM 876 CA ARG A 380 85.271 4.767 -0.690 1.00 0.00 C ATOM 877 C ARG A 380 84.242 4.353 0.356 1.00 0.00 C ATOM 878 O ARG A 380 83.094 4.794 0.318 1.00 0.00 O ATOM 879 CB ARG A 380 85.019 6.217 -1.111 1.00 0.00 C ATOM 880 CG ARG A 380 85.448 7.154 0.020 1.00 0.00 C ATOM 881 CD ARG A 380 85.111 8.599 -0.352 1.00 0.00 C ATOM 882 NE ARG A 380 85.451 9.497 0.747 1.00 0.00 N ATOM 883 CZ ARG A 380 84.756 9.492 1.879 1.00 0.00 C ATOM 884 NH1 ARG A 380 83.746 8.679 2.023 1.00 0.00 N ATOM 885 NH2 ARG A 380 85.083 10.305 2.847 1.00 0.00 N ATOM 0 H ARG A 380 84.401 3.245 -1.845 1.00 0.00 H new ATOM 0 HA ARG A 380 86.270 4.688 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 380 85.576 6.446 -2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 380 83.963 6.363 -1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 380 84.941 6.879 0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 380 86.518 7.055 0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 380 85.658 8.888 -1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 380 84.050 8.684 -0.585 1.00 0.00 H new ATOM 0 HE ARG A 380 86.236 10.140 0.644 1.00 0.00 H new ATOM 0 HH11 ARG A 380 83.489 8.046 1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 380 83.213 8.676 2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 380 85.871 10.943 2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 380 84.550 10.303 3.717 1.00 0.00 H new ATOM 899 N ASN A 381 84.659 3.499 1.286 1.00 0.00 N ATOM 900 CA ASN A 381 83.760 3.027 2.335 1.00 0.00 C ATOM 901 C ASN A 381 82.594 2.250 1.730 1.00 0.00 C ATOM 902 O ASN A 381 81.446 2.686 1.795 1.00 0.00 O ATOM 903 CB ASN A 381 83.226 4.213 3.143 1.00 0.00 C ATOM 904 CG ASN A 381 84.356 5.197 3.432 1.00 0.00 C ATOM 905 OD1 ASN A 381 84.123 6.402 3.516 1.00 0.00 O ATOM 906 ND2 ASN A 381 85.572 4.750 3.589 1.00 0.00 N ATOM 0 H ASN A 381 85.605 3.122 1.335 1.00 0.00 H new ATOM 0 HA ASN A 381 84.319 2.365 2.996 1.00 0.00 H new ATOM 0 HB2 ASN A 381 82.430 4.712 2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 381 82.791 3.860 4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 381 86.334 5.401 3.782 1.00 0.00 H new ATOM 0 HD22 ASN A 381 85.761 3.750 3.519 1.00 0.00 H new ATOM 913 N GLY A 382 82.905 1.091 1.147 1.00 0.00 N ATOM 914 CA GLY A 382 81.884 0.242 0.529 1.00 0.00 C ATOM 915 C GLY A 382 80.794 1.077 -0.141 1.00 0.00 C ATOM 916 O GLY A 382 79.616 0.723 -0.104 1.00 0.00 O ATOM 0 H GLY A 382 83.853 0.719 1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 382 82.350 -0.411 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 382 81.437 -0.402 1.287 1.00 0.00 H new ATOM 920 N GLN A 383 81.199 2.191 -0.746 1.00 0.00 N ATOM 921 CA GLN A 383 80.257 3.083 -1.417 1.00 0.00 C ATOM 922 C GLN A 383 80.960 3.847 -2.544 1.00 0.00 C ATOM 923 O GLN A 383 81.544 4.902 -2.301 1.00 0.00 O ATOM 924 CB GLN A 383 79.695 4.084 -0.406 1.00 0.00 C ATOM 925 CG GLN A 383 78.482 4.795 -1.008 1.00 0.00 C ATOM 926 CD GLN A 383 77.296 3.838 -1.075 1.00 0.00 C ATOM 927 OE1 GLN A 383 76.770 3.428 -0.041 1.00 0.00 O ATOM 928 NE2 GLN A 383 76.841 3.457 -2.236 1.00 0.00 N ATOM 0 H GLN A 383 82.171 2.497 -0.785 1.00 0.00 H new ATOM 0 HA GLN A 383 79.448 2.487 -1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 383 79.409 3.569 0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 383 80.460 4.813 -0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 383 78.224 5.665 -0.405 1.00 0.00 H new ATOM 0 HG3 GLN A 383 78.722 5.160 -2.007 1.00 0.00 H new ATOM 0 HE21 GLN A 383 77.278 3.798 -3.092 1.00 0.00 H new ATOM 0 HE22 GLN A 383 76.048 2.818 -2.288 1.00 0.00 H new ATOM 937 N PRO A 384 80.929 3.349 -3.761 1.00 0.00 N ATOM 938 CA PRO A 384 81.597 4.025 -4.912 1.00 0.00 C ATOM 939 C PRO A 384 81.352 5.534 -4.920 1.00 0.00 C ATOM 940 O PRO A 384 80.293 6.005 -4.510 1.00 0.00 O ATOM 941 CB PRO A 384 80.972 3.345 -6.132 1.00 0.00 C ATOM 942 CG PRO A 384 80.653 1.962 -5.663 1.00 0.00 C ATOM 943 CD PRO A 384 80.265 2.098 -4.186 1.00 0.00 C ATOM 0 HA PRO A 384 82.682 3.929 -4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 384 80.076 3.869 -6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 384 81.662 3.329 -6.975 1.00 0.00 H new ATOM 0 HG2 PRO A 384 79.837 1.531 -6.243 1.00 0.00 H new ATOM 0 HG3 PRO A 384 81.512 1.301 -5.782 1.00 0.00 H new ATOM 0 HD2 PRO A 384 79.184 2.156 -4.060 1.00 0.00 H new ATOM 0 HD3 PRO A 384 80.609 1.244 -3.602 1.00 0.00 H new ATOM 951 N TRP A 385 82.351 6.283 -5.382 1.00 0.00 N ATOM 952 CA TRP A 385 82.250 7.739 -5.433 1.00 0.00 C ATOM 953 C TRP A 385 83.182 8.288 -6.517 1.00 0.00 C ATOM 954 O TRP A 385 84.177 7.659 -6.872 1.00 0.00 O ATOM 955 CB TRP A 385 82.602 8.315 -4.034 1.00 0.00 C ATOM 956 CG TRP A 385 83.439 9.561 -4.133 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.762 9.629 -3.860 1.00 0.00 C ATOM 958 CD2 TRP A 385 83.035 10.906 -4.528 1.00 0.00 C ATOM 959 NE1 TRP A 385 85.195 10.929 -4.053 1.00 0.00 N ATOM 960 CE2 TRP A 385 84.167 11.754 -4.466 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.809 11.464 -4.926 1.00 0.00 C ATOM 962 CZ2 TRP A 385 84.083 13.110 -4.790 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.723 12.827 -5.253 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.858 13.647 -5.183 1.00 0.00 C ATOM 0 H TRP A 385 83.235 5.908 -5.725 1.00 0.00 H new ATOM 0 HA TRP A 385 81.234 8.040 -5.689 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.683 8.537 -3.492 1.00 0.00 H new ATOM 0 HB3 TRP A 385 83.139 7.562 -3.456 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.380 8.802 -3.543 1.00 0.00 H new ATOM 0 HE1 TRP A 385 86.156 11.240 -3.908 1.00 0.00 H new ATOM 0 HE3 TRP A 385 80.928 10.842 -4.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.960 13.738 -4.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.776 13.246 -5.560 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.783 14.695 -5.434 1.00 0.00 H new ATOM 975 N TYR A 386 82.851 9.470 -7.032 1.00 0.00 N ATOM 976 CA TYR A 386 83.664 10.104 -8.067 1.00 0.00 C ATOM 977 C TYR A 386 84.664 11.066 -7.433 1.00 0.00 C ATOM 978 O TYR A 386 84.390 12.259 -7.297 1.00 0.00 O ATOM 979 CB TYR A 386 82.765 10.867 -9.041 1.00 0.00 C ATOM 980 CG TYR A 386 81.926 9.886 -9.823 1.00 0.00 C ATOM 981 CD1 TYR A 386 82.451 9.270 -10.965 1.00 0.00 C ATOM 982 CD2 TYR A 386 80.623 9.590 -9.405 1.00 0.00 C ATOM 983 CE1 TYR A 386 81.673 8.359 -11.690 1.00 0.00 C ATOM 984 CE2 TYR A 386 79.844 8.679 -10.130 1.00 0.00 C ATOM 985 CZ TYR A 386 80.370 8.063 -11.272 1.00 0.00 C ATOM 986 OH TYR A 386 79.604 7.164 -11.987 1.00 0.00 O ATOM 0 H TYR A 386 82.030 10.006 -6.751 1.00 0.00 H new ATOM 0 HA TYR A 386 84.208 9.330 -8.609 1.00 0.00 H new ATOM 0 HB2 TYR A 386 82.122 11.558 -8.495 1.00 0.00 H new ATOM 0 HB3 TYR A 386 83.372 11.466 -9.720 1.00 0.00 H new ATOM 0 HD1 TYR A 386 83.456 9.497 -11.287 1.00 0.00 H new ATOM 0 HD2 TYR A 386 80.218 10.064 -8.523 1.00 0.00 H new ATOM 0 HE1 TYR A 386 82.078 7.885 -12.572 1.00 0.00 H new ATOM 0 HE2 TYR A 386 78.838 8.452 -9.808 1.00 0.00 H new ATOM 0 HH TYR A 386 78.726 7.071 -11.562 1.00 0.00 H new ATOM 996 N VAL A 387 85.823 10.540 -7.045 1.00 0.00 N ATOM 997 CA VAL A 387 86.857 11.358 -6.425 1.00 0.00 C ATOM 998 C VAL A 387 87.675 12.068 -7.497 1.00 0.00 C ATOM 999 O VAL A 387 87.858 11.547 -8.597 1.00 0.00 O ATOM 1000 CB VAL A 387 87.771 10.484 -5.554 1.00 0.00 C ATOM 1001 CG1 VAL A 387 88.674 9.616 -6.435 1.00 0.00 C ATOM 1002 CG2 VAL A 387 88.636 11.379 -4.667 1.00 0.00 C ATOM 0 H VAL A 387 86.067 9.555 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 387 86.381 12.107 -5.792 1.00 0.00 H new ATOM 0 HB VAL A 387 87.153 9.835 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 387 89.316 9.002 -5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 387 88.059 8.971 -7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 387 89.290 10.256 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.285 10.760 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 387 89.245 12.031 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 387 87.995 11.985 -4.027 1.00 0.00 H new ATOM 1012 N LEU A 388 88.159 13.262 -7.170 1.00 0.00 N ATOM 1013 CA LEU A 388 88.955 14.052 -8.109 1.00 0.00 C ATOM 1014 C LEU A 388 90.372 14.243 -7.579 1.00 0.00 C ATOM 1015 O LEU A 388 90.573 14.535 -6.401 1.00 0.00 O ATOM 1016 CB LEU A 388 88.297 15.415 -8.315 1.00 0.00 C ATOM 1017 CG LEU A 388 86.798 15.235 -8.581 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.148 16.609 -8.760 1.00 0.00 C ATOM 1019 CD2 LEU A 388 86.593 14.402 -9.853 1.00 0.00 C ATOM 0 H LEU A 388 88.015 13.705 -6.263 1.00 0.00 H new ATOM 0 HA LEU A 388 89.006 13.521 -9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.447 16.038 -7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 388 88.765 15.932 -9.153 1.00 0.00 H new ATOM 0 HG LEU A 388 86.340 14.719 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 388 85.082 16.485 -8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 388 86.290 17.199 -7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 388 86.609 17.123 -9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 388 85.526 14.277 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.051 14.913 -10.700 1.00 0.00 H new ATOM 0 HD23 LEU A 388 87.056 13.424 -9.726 1.00 0.00 H new ATOM 1031 N VAL A 389 91.352 14.071 -8.463 1.00 0.00 N ATOM 1032 CA VAL A 389 92.759 14.221 -8.087 1.00 0.00 C ATOM 1033 C VAL A 389 93.556 14.842 -9.231 1.00 0.00 C ATOM 1034 O VAL A 389 93.239 14.639 -10.403 1.00 0.00 O ATOM 1035 CB VAL A 389 93.352 12.856 -7.734 1.00 0.00 C ATOM 1036 CG1 VAL A 389 92.774 12.369 -6.401 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.006 11.850 -8.834 1.00 0.00 C ATOM 0 H VAL A 389 91.200 13.828 -9.442 1.00 0.00 H new ATOM 0 HA VAL A 389 92.816 14.879 -7.220 1.00 0.00 H new ATOM 0 HB VAL A 389 94.435 12.946 -7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.199 11.396 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.020 13.083 -5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 389 91.691 12.281 -6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 389 93.428 10.877 -8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 389 91.923 11.764 -8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 389 93.420 12.191 -9.783 1.00 0.00 H new ATOM 1047 N SER A 390 94.593 15.601 -8.878 1.00 0.00 N ATOM 1048 CA SER A 390 95.440 16.259 -9.876 1.00 0.00 C ATOM 1049 C SER A 390 96.751 15.498 -10.054 1.00 0.00 C ATOM 1050 O SER A 390 97.584 15.457 -9.148 1.00 0.00 O ATOM 1051 CB SER A 390 95.741 17.691 -9.434 1.00 0.00 C ATOM 1052 OG SER A 390 96.811 18.209 -10.214 1.00 0.00 O ATOM 0 H SER A 390 94.867 15.776 -7.911 1.00 0.00 H new ATOM 0 HA SER A 390 94.908 16.271 -10.827 1.00 0.00 H new ATOM 0 HB2 SER A 390 94.855 18.314 -9.553 1.00 0.00 H new ATOM 0 HB3 SER A 390 96.005 17.710 -8.377 1.00 0.00 H new ATOM 0 HG SER A 390 97.005 19.128 -9.934 1.00 0.00 H new ATOM 1058 N GLY A 391 96.929 14.902 -11.229 1.00 0.00 N ATOM 1059 CA GLY A 391 98.145 14.147 -11.521 1.00 0.00 C ATOM 1060 C GLY A 391 98.567 13.296 -10.327 1.00 0.00 C ATOM 1061 O GLY A 391 97.748 12.600 -9.727 1.00 0.00 O ATOM 0 H GLY A 391 96.252 14.926 -11.991 1.00 0.00 H new ATOM 0 HA2 GLY A 391 97.979 13.506 -12.387 1.00 0.00 H new ATOM 0 HA3 GLY A 391 98.949 14.835 -11.783 1.00 0.00 H new ATOM 1065 N VAL A 392 99.852 13.359 -9.988 1.00 0.00 N ATOM 1066 CA VAL A 392 100.381 12.591 -8.863 1.00 0.00 C ATOM 1067 C VAL A 392 101.628 13.265 -8.298 1.00 0.00 C ATOM 1068 O VAL A 392 102.514 13.682 -9.044 1.00 0.00 O ATOM 1069 CB VAL A 392 100.731 11.168 -9.312 1.00 0.00 C ATOM 1070 CG1 VAL A 392 99.452 10.399 -9.653 1.00 0.00 C ATOM 1071 CG2 VAL A 392 101.628 11.230 -10.550 1.00 0.00 C ATOM 0 H VAL A 392 100.544 13.931 -10.473 1.00 0.00 H new ATOM 0 HA VAL A 392 99.616 12.548 -8.088 1.00 0.00 H new ATOM 0 HB VAL A 392 101.254 10.657 -8.503 1.00 0.00 H new ATOM 0 HG11 VAL A 392 99.709 9.389 -9.971 1.00 0.00 H new ATOM 0 HG12 VAL A 392 98.811 10.350 -8.773 1.00 0.00 H new ATOM 0 HG13 VAL A 392 98.924 10.910 -10.458 1.00 0.00 H new ATOM 0 HG21 VAL A 392 101.877 10.218 -10.870 1.00 0.00 H new ATOM 0 HG22 VAL A 392 101.103 11.746 -11.354 1.00 0.00 H new ATOM 0 HG23 VAL A 392 102.544 11.770 -10.309 1.00 0.00 H new ATOM 1081 N TYR A 393 101.690 13.367 -6.973 1.00 0.00 N ATOM 1082 CA TYR A 393 102.834 13.991 -6.311 1.00 0.00 C ATOM 1083 C TYR A 393 103.956 12.976 -6.114 1.00 0.00 C ATOM 1084 O TYR A 393 103.711 11.837 -5.715 1.00 0.00 O ATOM 1085 CB TYR A 393 102.408 14.551 -4.953 1.00 0.00 C ATOM 1086 CG TYR A 393 101.249 15.500 -5.140 1.00 0.00 C ATOM 1087 CD1 TYR A 393 101.480 16.807 -5.587 1.00 0.00 C ATOM 1088 CD2 TYR A 393 99.943 15.075 -4.867 1.00 0.00 C ATOM 1089 CE1 TYR A 393 100.406 17.687 -5.761 1.00 0.00 C ATOM 1090 CE2 TYR A 393 98.869 15.956 -5.042 1.00 0.00 C ATOM 1091 CZ TYR A 393 99.100 17.262 -5.488 1.00 0.00 C ATOM 1092 OH TYR A 393 98.042 18.131 -5.660 1.00 0.00 O ATOM 0 H TYR A 393 100.967 13.028 -6.339 1.00 0.00 H new ATOM 0 HA TYR A 393 103.198 14.802 -6.941 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.122 13.738 -4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.244 15.069 -4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 393 102.487 17.136 -5.797 1.00 0.00 H new ATOM 0 HD2 TYR A 393 99.764 14.068 -4.521 1.00 0.00 H new ATOM 0 HE1 TYR A 393 100.585 18.695 -6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 393 97.862 15.627 -4.833 1.00 0.00 H new ATOM 0 HH TYR A 393 97.205 17.677 -5.428 1.00 0.00 H new ATOM 1102 N ALA A 394 105.186 13.393 -6.403 1.00 0.00 N ATOM 1103 CA ALA A 394 106.340 12.507 -6.260 1.00 0.00 C ATOM 1104 C ALA A 394 106.229 11.666 -4.990 1.00 0.00 C ATOM 1105 O ALA A 394 106.116 10.442 -5.056 1.00 0.00 O ATOM 1106 CB ALA A 394 107.628 13.333 -6.214 1.00 0.00 C ATOM 0 H ALA A 394 105.409 14.331 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 394 106.363 11.837 -7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 394 108.484 12.667 -6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 394 107.726 13.905 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 394 107.592 14.016 -5.365 1.00 0.00 H new ATOM 1112 N SER A 395 106.259 12.329 -3.835 1.00 0.00 N ATOM 1113 CA SER A 395 106.160 11.633 -2.550 1.00 0.00 C ATOM 1114 C SER A 395 105.274 12.416 -1.587 1.00 0.00 C ATOM 1115 O SER A 395 104.489 13.269 -2.003 1.00 0.00 O ATOM 1116 CB SER A 395 107.552 11.465 -1.941 1.00 0.00 C ATOM 1117 OG SER A 395 108.460 11.047 -2.952 1.00 0.00 O ATOM 0 H SER A 395 106.351 13.342 -3.761 1.00 0.00 H new ATOM 0 HA SER A 395 105.717 10.652 -2.720 1.00 0.00 H new ATOM 0 HB2 SER A 395 107.886 12.406 -1.503 1.00 0.00 H new ATOM 0 HB3 SER A 395 107.523 10.731 -1.136 1.00 0.00 H new ATOM 0 HG SER A 395 109.354 10.940 -2.565 1.00 0.00 H new ATOM 1123 N LYS A 396 105.402 12.118 -0.296 1.00 0.00 N ATOM 1124 CA LYS A 396 104.604 12.797 0.723 1.00 0.00 C ATOM 1125 C LYS A 396 105.245 14.126 1.114 1.00 0.00 C ATOM 1126 O LYS A 396 104.624 14.952 1.781 1.00 0.00 O ATOM 1127 CB LYS A 396 104.478 11.905 1.962 1.00 0.00 C ATOM 1128 CG LYS A 396 103.353 12.423 2.860 1.00 0.00 C ATOM 1129 CD LYS A 396 103.149 11.460 4.031 1.00 0.00 C ATOM 1130 CE LYS A 396 102.011 11.968 4.920 1.00 0.00 C ATOM 1131 NZ LYS A 396 100.730 11.920 4.160 1.00 0.00 N ATOM 0 H LYS A 396 106.046 11.416 0.068 1.00 0.00 H new ATOM 0 HA LYS A 396 103.614 12.994 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 396 104.273 10.877 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 396 105.419 11.895 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 396 103.599 13.417 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 396 102.430 12.516 2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 396 102.916 10.463 3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 396 104.068 11.377 4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 396 101.936 11.356 5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 396 102.216 12.988 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 99.931 11.948 4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 100.676 12.737 3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 100.688 11.041 3.605 1.00 0.00 H new ATOM 1145 N GLU A 397 106.492 14.324 0.698 1.00 0.00 N ATOM 1146 CA GLU A 397 107.204 15.556 1.017 1.00 0.00 C ATOM 1147 C GLU A 397 106.580 16.744 0.289 1.00 0.00 C ATOM 1148 O GLU A 397 106.349 17.796 0.885 1.00 0.00 O ATOM 1149 CB GLU A 397 108.680 15.425 0.624 1.00 0.00 C ATOM 1150 CG GLU A 397 108.810 15.378 -0.902 1.00 0.00 C ATOM 1151 CD GLU A 397 110.182 14.838 -1.292 1.00 0.00 C ATOM 1152 OE1 GLU A 397 110.390 13.644 -1.150 1.00 0.00 O ATOM 1153 OE2 GLU A 397 111.004 15.627 -1.728 1.00 0.00 O ATOM 0 H GLU A 397 107.026 13.654 0.144 1.00 0.00 H new ATOM 0 HA GLU A 397 107.130 15.728 2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 397 109.247 16.267 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 397 109.103 14.521 1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 397 108.028 14.746 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 397 108.671 16.376 -1.318 1.00 0.00 H new ATOM 1160 N GLU A 398 106.313 16.570 -1.002 1.00 0.00 N ATOM 1161 CA GLU A 398 105.716 17.636 -1.805 1.00 0.00 C ATOM 1162 C GLU A 398 104.197 17.625 -1.667 1.00 0.00 C ATOM 1163 O GLU A 398 103.531 18.616 -1.966 1.00 0.00 O ATOM 1164 CB GLU A 398 106.096 17.454 -3.275 1.00 0.00 C ATOM 1165 CG GLU A 398 105.590 18.650 -4.085 1.00 0.00 C ATOM 1166 CD GLU A 398 106.182 18.616 -5.490 1.00 0.00 C ATOM 1167 OE1 GLU A 398 107.330 18.999 -5.638 1.00 0.00 O ATOM 1168 OE2 GLU A 398 105.476 18.208 -6.398 1.00 0.00 O ATOM 0 H GLU A 398 106.499 15.707 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 398 106.095 18.593 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 398 107.178 17.366 -3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 398 105.664 16.531 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 398 104.502 18.629 -4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 398 105.866 19.580 -3.587 1.00 0.00 H new ATOM 1175 N ALA A 399 103.657 16.499 -1.215 1.00 0.00 N ATOM 1176 CA ALA A 399 102.214 16.371 -1.043 1.00 0.00 C ATOM 1177 C ALA A 399 101.705 17.351 0.009 1.00 0.00 C ATOM 1178 O ALA A 399 100.704 18.035 -0.199 1.00 0.00 O ATOM 1179 CB ALA A 399 101.861 14.943 -0.625 1.00 0.00 C ATOM 0 H ALA A 399 104.191 15.667 -0.963 1.00 0.00 H new ATOM 0 HA ALA A 399 101.736 16.600 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 399 100.782 14.857 -0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.193 14.246 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.356 14.707 0.317 1.00 0.00 H new ATOM 1185 N LYS A 400 102.400 17.415 1.140 1.00 0.00 N ATOM 1186 CA LYS A 400 102.005 18.316 2.215 1.00 0.00 C ATOM 1187 C LYS A 400 101.936 19.755 1.712 1.00 0.00 C ATOM 1188 O LYS A 400 100.933 20.443 1.906 1.00 0.00 O ATOM 1189 CB LYS A 400 103.007 18.223 3.367 1.00 0.00 C ATOM 1190 CG LYS A 400 102.493 19.032 4.560 1.00 0.00 C ATOM 1191 CD LYS A 400 103.405 18.799 5.766 1.00 0.00 C ATOM 1192 CE LYS A 400 102.784 19.440 7.008 1.00 0.00 C ATOM 1193 NZ LYS A 400 103.638 19.150 8.195 1.00 0.00 N ATOM 0 H LYS A 400 103.232 16.859 1.335 1.00 0.00 H new ATOM 0 HA LYS A 400 101.017 18.020 2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 400 103.150 17.182 3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 400 103.978 18.602 3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 400 102.467 20.093 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 400 101.472 18.736 4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 400 103.546 17.730 5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 400 104.390 19.226 5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 400 102.692 20.517 6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 400 101.778 19.052 7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 103.217 19.585 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 103.704 18.121 8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 104.590 19.541 8.042 1.00 0.00 H new ATOM 1207 N LYS A 401 103.009 20.202 1.068 1.00 0.00 N ATOM 1208 CA LYS A 401 103.061 21.561 0.540 1.00 0.00 C ATOM 1209 C LYS A 401 101.997 21.763 -0.533 1.00 0.00 C ATOM 1210 O LYS A 401 101.381 22.824 -0.620 1.00 0.00 O ATOM 1211 CB LYS A 401 104.443 21.840 -0.051 1.00 0.00 C ATOM 1212 CG LYS A 401 105.465 21.986 1.079 1.00 0.00 C ATOM 1213 CD LYS A 401 106.866 22.139 0.484 1.00 0.00 C ATOM 1214 CE LYS A 401 107.869 22.416 1.605 1.00 0.00 C ATOM 1215 NZ LYS A 401 108.074 21.176 2.406 1.00 0.00 N ATOM 0 H LYS A 401 103.849 19.648 0.900 1.00 0.00 H new ATOM 0 HA LYS A 401 102.869 22.254 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 401 104.736 21.028 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 401 104.416 22.750 -0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 401 105.223 22.853 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 401 105.429 21.113 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 401 107.146 21.232 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 401 106.878 22.954 -0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 401 108.817 22.751 1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 401 107.503 23.219 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 108.874 21.311 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 107.214 20.970 2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 108.277 20.380 1.768 1.00 0.00 H new ATOM 1229 N ALA A 402 101.787 20.736 -1.351 1.00 0.00 N ATOM 1230 CA ALA A 402 100.796 20.812 -2.419 1.00 0.00 C ATOM 1231 C ALA A 402 99.493 21.417 -1.903 1.00 0.00 C ATOM 1232 O ALA A 402 98.819 22.162 -2.614 1.00 0.00 O ATOM 1233 CB ALA A 402 100.524 19.413 -2.979 1.00 0.00 C ATOM 0 H ALA A 402 102.286 19.848 -1.296 1.00 0.00 H new ATOM 0 HA ALA A 402 101.191 21.451 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 402 99.783 19.478 -3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 402 101.449 18.994 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 402 100.146 18.770 -2.184 1.00 0.00 H new ATOM 1239 N VAL A 403 99.145 21.090 -0.664 1.00 0.00 N ATOM 1240 CA VAL A 403 97.920 21.606 -0.064 1.00 0.00 C ATOM 1241 C VAL A 403 97.882 23.130 -0.135 1.00 0.00 C ATOM 1242 O VAL A 403 96.923 23.713 -0.640 1.00 0.00 O ATOM 1243 CB VAL A 403 97.827 21.160 1.397 1.00 0.00 C ATOM 1244 CG1 VAL A 403 96.541 21.708 2.017 1.00 0.00 C ATOM 1245 CG2 VAL A 403 97.813 19.632 1.462 1.00 0.00 C ATOM 0 H VAL A 403 99.689 20.475 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 403 97.072 21.209 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 403 98.687 21.540 1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 403 96.475 21.390 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 403 96.550 22.797 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 403 95.681 21.328 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 403 97.747 19.313 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 403 96.953 19.252 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 403 98.729 19.241 1.020 1.00 0.00 H new ATOM 1255 N SER A 404 98.928 23.769 0.380 1.00 0.00 N ATOM 1256 CA SER A 404 99.002 25.227 0.374 1.00 0.00 C ATOM 1257 C SER A 404 98.558 25.794 -0.970 1.00 0.00 C ATOM 1258 O SER A 404 97.811 26.772 -1.024 1.00 0.00 O ATOM 1259 CB SER A 404 100.435 25.675 0.668 1.00 0.00 C ATOM 1260 OG SER A 404 100.961 24.896 1.735 1.00 0.00 O ATOM 0 H SER A 404 99.731 23.305 0.804 1.00 0.00 H new ATOM 0 HA SER A 404 98.331 25.604 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 404 101.054 25.559 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.451 26.732 0.932 1.00 0.00 H new ATOM 0 HG SER A 404 101.880 25.179 1.925 1.00 0.00 H new ATOM 1266 N THR A 405 99.022 25.181 -2.053 1.00 0.00 N ATOM 1267 CA THR A 405 98.663 25.643 -3.390 1.00 0.00 C ATOM 1268 C THR A 405 97.147 25.675 -3.561 1.00 0.00 C ATOM 1269 O THR A 405 96.596 26.625 -4.116 1.00 0.00 O ATOM 1270 CB THR A 405 99.279 24.725 -4.448 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.527 23.521 -4.525 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.725 24.404 -4.069 1.00 0.00 C ATOM 0 H THR A 405 99.641 24.371 -2.034 1.00 0.00 H new ATOM 0 HA THR A 405 99.052 26.653 -3.517 1.00 0.00 H new ATOM 0 HB THR A 405 99.263 25.225 -5.416 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.427 23.140 -3.628 1.00 0.00 H new ATOM 0 HG21 THR A 405 101.162 23.750 -4.823 1.00 0.00 H new ATOM 0 HG22 THR A 405 101.300 25.328 -4.012 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.745 23.904 -3.100 1.00 0.00 H new ATOM 1280 N LEU A 406 96.479 24.631 -3.080 1.00 0.00 N ATOM 1281 CA LEU A 406 95.026 24.553 -3.189 1.00 0.00 C ATOM 1282 C LEU A 406 94.374 25.706 -2.417 1.00 0.00 C ATOM 1283 O LEU A 406 94.910 26.150 -1.401 1.00 0.00 O ATOM 1284 CB LEU A 406 94.535 23.214 -2.624 1.00 0.00 C ATOM 1285 CG LEU A 406 95.453 22.081 -3.097 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.859 20.737 -2.674 1.00 0.00 C ATOM 1287 CD2 LEU A 406 95.579 22.125 -4.623 1.00 0.00 C ATOM 0 H LEU A 406 96.915 23.835 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 406 94.748 24.628 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.521 23.252 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.512 23.025 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 406 96.439 22.202 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.510 19.930 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 406 94.770 20.704 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.873 20.618 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 406 96.232 21.319 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 406 94.594 22.004 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 406 96.001 23.083 -4.926 1.00 0.00 H new ATOM 1299 N PRO A 407 93.238 26.200 -2.862 1.00 0.00 N ATOM 1300 CA PRO A 407 92.533 27.321 -2.170 1.00 0.00 C ATOM 1301 C PRO A 407 91.870 26.861 -0.871 1.00 0.00 C ATOM 1302 O PRO A 407 91.996 25.702 -0.476 1.00 0.00 O ATOM 1303 CB PRO A 407 91.489 27.775 -3.199 1.00 0.00 C ATOM 1304 CG PRO A 407 91.187 26.546 -3.991 1.00 0.00 C ATOM 1305 CD PRO A 407 92.498 25.758 -4.062 1.00 0.00 C ATOM 0 HA PRO A 407 93.212 28.119 -1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 407 90.594 28.163 -2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.877 28.571 -3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 407 90.403 25.957 -3.514 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.831 26.802 -4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 407 92.320 24.683 -4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 407 93.049 25.979 -4.976 1.00 0.00 H new ATOM 1313 N ALA A 408 91.165 27.776 -0.215 1.00 0.00 N ATOM 1314 CA ALA A 408 90.487 27.453 1.034 1.00 0.00 C ATOM 1315 C ALA A 408 89.388 26.422 0.797 1.00 0.00 C ATOM 1316 O ALA A 408 89.345 25.386 1.458 1.00 0.00 O ATOM 1317 CB ALA A 408 89.879 28.719 1.640 1.00 0.00 C ATOM 0 H ALA A 408 91.049 28.741 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 408 91.219 27.034 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 408 89.374 28.469 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.669 29.444 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 408 89.160 29.148 0.942 1.00 0.00 H new ATOM 1323 N ASP A 409 88.499 26.716 -0.147 1.00 0.00 N ATOM 1324 CA ASP A 409 87.397 25.812 -0.463 1.00 0.00 C ATOM 1325 C ASP A 409 87.867 24.358 -0.488 1.00 0.00 C ATOM 1326 O ASP A 409 87.211 23.475 0.064 1.00 0.00 O ATOM 1327 CB ASP A 409 86.800 26.177 -1.823 1.00 0.00 C ATOM 1328 CG ASP A 409 85.593 25.292 -2.118 1.00 0.00 C ATOM 1329 OD1 ASP A 409 85.398 24.331 -1.393 1.00 0.00 O ATOM 1330 OD2 ASP A 409 84.883 25.589 -3.065 1.00 0.00 O ATOM 0 H ASP A 409 88.519 27.570 -0.705 1.00 0.00 H new ATOM 0 HA ASP A 409 86.640 25.917 0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 409 86.502 27.226 -1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 409 87.551 26.054 -2.604 1.00 0.00 H new ATOM 1335 N VAL A 410 89.004 24.118 -1.132 1.00 0.00 N ATOM 1336 CA VAL A 410 89.550 22.767 -1.225 1.00 0.00 C ATOM 1337 C VAL A 410 90.210 22.361 0.091 1.00 0.00 C ATOM 1338 O VAL A 410 90.098 21.214 0.526 1.00 0.00 O ATOM 1339 CB VAL A 410 90.577 22.698 -2.355 1.00 0.00 C ATOM 1340 CG1 VAL A 410 91.202 21.303 -2.397 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.884 22.984 -3.690 1.00 0.00 C ATOM 0 H VAL A 410 89.563 24.835 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 410 88.731 22.078 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 410 91.357 23.439 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.934 21.256 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.695 21.096 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 410 90.423 20.560 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.615 22.935 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 410 89.104 22.242 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 410 89.439 23.979 -3.663 1.00 0.00 H new ATOM 1351 N GLN A 411 90.905 23.306 0.715 1.00 0.00 N ATOM 1352 CA GLN A 411 91.588 23.035 1.977 1.00 0.00 C ATOM 1353 C GLN A 411 90.583 22.858 3.113 1.00 0.00 C ATOM 1354 O GLN A 411 90.895 22.251 4.139 1.00 0.00 O ATOM 1355 CB GLN A 411 92.541 24.184 2.312 1.00 0.00 C ATOM 1356 CG GLN A 411 93.510 23.743 3.411 1.00 0.00 C ATOM 1357 CD GLN A 411 94.401 24.911 3.821 1.00 0.00 C ATOM 1358 OE1 GLN A 411 94.287 25.418 4.937 1.00 0.00 O ATOM 1359 NE2 GLN A 411 95.285 25.372 2.980 1.00 0.00 N ATOM 0 H GLN A 411 91.011 24.261 0.371 1.00 0.00 H new ATOM 0 HA GLN A 411 92.155 22.110 1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 411 93.096 24.481 1.422 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.975 25.056 2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 411 92.953 23.380 4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 411 94.123 22.915 3.056 1.00 0.00 H new ATOM 0 HE21 GLN A 411 95.378 24.951 2.056 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.883 26.154 3.247 1.00 0.00 H new ATOM 1368 N ALA A 412 89.380 23.391 2.926 1.00 0.00 N ATOM 1369 CA ALA A 412 88.342 23.284 3.945 1.00 0.00 C ATOM 1370 C ALA A 412 87.864 21.842 4.074 1.00 0.00 C ATOM 1371 O ALA A 412 87.259 21.463 5.077 1.00 0.00 O ATOM 1372 CB ALA A 412 87.160 24.185 3.583 1.00 0.00 C ATOM 0 H ALA A 412 89.101 23.897 2.086 1.00 0.00 H new ATOM 0 HA ALA A 412 88.762 23.602 4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 412 86.389 24.099 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 412 87.497 25.220 3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 412 86.751 23.879 2.620 1.00 0.00 H new ATOM 1378 N LYS A 413 88.141 21.042 3.049 1.00 0.00 N ATOM 1379 CA LYS A 413 87.740 19.637 3.045 1.00 0.00 C ATOM 1380 C LYS A 413 88.812 18.784 3.712 1.00 0.00 C ATOM 1381 O LYS A 413 88.730 17.556 3.718 1.00 0.00 O ATOM 1382 CB LYS A 413 87.521 19.157 1.598 1.00 0.00 C ATOM 1383 CG LYS A 413 87.011 20.316 0.733 1.00 0.00 C ATOM 1384 CD LYS A 413 85.697 20.873 1.302 1.00 0.00 C ATOM 1385 CE LYS A 413 84.630 19.772 1.362 1.00 0.00 C ATOM 1386 NZ LYS A 413 83.276 20.393 1.329 1.00 0.00 N ATOM 0 H LYS A 413 88.641 21.341 2.211 1.00 0.00 H new ATOM 0 HA LYS A 413 86.808 19.537 3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 413 88.455 18.770 1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 413 86.803 18.337 1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 413 87.761 21.106 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 413 86.855 19.973 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 413 85.868 21.277 2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 413 85.344 21.696 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 413 84.749 19.088 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 413 84.750 19.183 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 82.551 19.648 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 83.166 21.028 2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 83.165 20.937 0.449 1.00 0.00 H new ATOM 1400 N ASN A 414 89.823 19.446 4.264 1.00 0.00 N ATOM 1401 CA ASN A 414 90.918 18.749 4.924 1.00 0.00 C ATOM 1402 C ASN A 414 91.358 17.534 4.110 1.00 0.00 C ATOM 1403 O ASN A 414 91.120 16.392 4.501 1.00 0.00 O ATOM 1404 CB ASN A 414 90.497 18.308 6.328 1.00 0.00 C ATOM 1405 CG ASN A 414 89.372 17.284 6.242 1.00 0.00 C ATOM 1406 OD1 ASN A 414 88.215 17.647 6.028 1.00 0.00 O ATOM 1407 ND2 ASN A 414 89.642 16.017 6.396 1.00 0.00 N ATOM 0 H ASN A 414 89.906 20.463 4.267 1.00 0.00 H new ATOM 0 HA ASN A 414 91.759 19.438 5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 414 91.350 17.879 6.853 1.00 0.00 H new ATOM 0 HB3 ASN A 414 90.169 19.172 6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 414 88.894 15.326 6.339 1.00 0.00 H new ATOM 0 HD22 ASN A 414 90.601 15.718 6.573 1.00 0.00 H new ATOM 1414 N PRO A 415 91.988 17.767 2.988 1.00 0.00 N ATOM 1415 CA PRO A 415 92.471 16.675 2.090 1.00 0.00 C ATOM 1416 C PRO A 415 93.217 15.579 2.852 1.00 0.00 C ATOM 1417 O PRO A 415 94.427 15.670 3.064 1.00 0.00 O ATOM 1418 CB PRO A 415 93.403 17.410 1.116 1.00 0.00 C ATOM 1419 CG PRO A 415 92.862 18.801 1.052 1.00 0.00 C ATOM 1420 CD PRO A 415 92.309 19.100 2.448 1.00 0.00 C ATOM 0 HA PRO A 415 91.652 16.152 1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 415 94.433 17.402 1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.401 16.938 0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 415 93.643 19.512 0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 415 92.080 18.882 0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 415 93.042 19.617 3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 415 91.426 19.737 2.401 1.00 0.00 H new ATOM 1428 N TRP A 416 92.488 14.545 3.256 1.00 0.00 N ATOM 1429 CA TRP A 416 93.095 13.440 3.989 1.00 0.00 C ATOM 1430 C TRP A 416 94.006 12.631 3.071 1.00 0.00 C ATOM 1431 O TRP A 416 93.582 12.160 2.017 1.00 0.00 O ATOM 1432 CB TRP A 416 92.006 12.534 4.566 1.00 0.00 C ATOM 1433 CG TRP A 416 91.260 11.872 3.452 1.00 0.00 C ATOM 1434 CD1 TRP A 416 90.344 12.478 2.663 1.00 0.00 C ATOM 1435 CD2 TRP A 416 91.350 10.493 2.991 1.00 0.00 C ATOM 1436 NE1 TRP A 416 89.865 11.559 1.746 1.00 0.00 N ATOM 1437 CE2 TRP A 416 90.455 10.320 1.908 1.00 0.00 C ATOM 1438 CE3 TRP A 416 92.114 9.385 3.403 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 90.323 9.093 1.257 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 91.982 8.148 2.750 1.00 0.00 C ATOM 1441 CH2 TRP A 416 91.089 8.003 1.680 1.00 0.00 C ATOM 0 H TRP A 416 91.486 14.448 3.091 1.00 0.00 H new ATOM 0 HA TRP A 416 93.691 13.849 4.805 1.00 0.00 H new ATOM 0 HB2 TRP A 416 92.452 11.781 5.216 1.00 0.00 H new ATOM 0 HB3 TRP A 416 91.320 13.118 5.179 1.00 0.00 H new ATOM 0 HD1 TRP A 416 90.036 13.511 2.737 1.00 0.00 H new ATOM 0 HE1 TRP A 416 89.162 11.770 1.037 1.00 0.00 H new ATOM 0 HE3 TRP A 416 92.806 9.486 4.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 89.634 8.986 0.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 92.572 7.304 3.075 1.00 0.00 H new ATOM 0 HH2 TRP A 416 90.993 7.049 1.182 1.00 0.00 H new ATOM 1452 N ALA A 417 95.261 12.475 3.481 1.00 0.00 N ATOM 1453 CA ALA A 417 96.225 11.721 2.687 1.00 0.00 C ATOM 1454 C ALA A 417 95.610 10.417 2.187 1.00 0.00 C ATOM 1455 O ALA A 417 94.925 9.714 2.931 1.00 0.00 O ATOM 1456 CB ALA A 417 97.468 11.417 3.526 1.00 0.00 C ATOM 0 H ALA A 417 95.632 12.857 4.351 1.00 0.00 H new ATOM 0 HA ALA A 417 96.508 12.325 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 417 98.183 10.854 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 417 97.924 12.352 3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 417 97.183 10.829 4.398 1.00 0.00 H new ATOM 1462 N LYS A 418 95.864 10.103 0.918 1.00 0.00 N ATOM 1463 CA LYS A 418 95.340 8.880 0.307 1.00 0.00 C ATOM 1464 C LYS A 418 96.423 8.209 -0.539 1.00 0.00 C ATOM 1465 O LYS A 418 96.487 8.420 -1.750 1.00 0.00 O ATOM 1466 CB LYS A 418 94.142 9.219 -0.582 1.00 0.00 C ATOM 1467 CG LYS A 418 93.409 7.932 -0.966 1.00 0.00 C ATOM 1468 CD LYS A 418 92.191 8.274 -1.826 1.00 0.00 C ATOM 1469 CE LYS A 418 91.673 7.005 -2.505 1.00 0.00 C ATOM 1470 NZ LYS A 418 91.234 6.029 -1.468 1.00 0.00 N ATOM 0 H LYS A 418 96.429 10.677 0.292 1.00 0.00 H new ATOM 0 HA LYS A 418 95.028 8.198 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.465 9.892 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 418 94.477 9.740 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 418 94.079 7.269 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 418 93.095 7.398 -0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 418 91.408 8.714 -1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 418 92.460 9.017 -2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 418 90.841 7.248 -3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 418 92.455 6.566 -3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 90.835 5.187 -1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 92.050 5.750 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 90.511 6.467 -0.863 1.00 0.00 H new ATOM 1484 N PRO A 419 97.273 7.415 0.067 1.00 0.00 N ATOM 1485 CA PRO A 419 98.372 6.715 -0.662 1.00 0.00 C ATOM 1486 C PRO A 419 97.885 6.072 -1.959 1.00 0.00 C ATOM 1487 O PRO A 419 96.943 5.278 -1.955 1.00 0.00 O ATOM 1488 CB PRO A 419 98.852 5.664 0.345 1.00 0.00 C ATOM 1489 CG PRO A 419 98.572 6.271 1.681 1.00 0.00 C ATOM 1490 CD PRO A 419 97.289 7.092 1.508 1.00 0.00 C ATOM 0 HA PRO A 419 99.163 7.395 -0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 419 98.320 4.721 0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 419 99.914 5.451 0.221 1.00 0.00 H new ATOM 0 HG2 PRO A 419 98.443 5.500 2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 419 99.399 6.903 2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 419 96.407 6.523 1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 419 97.305 7.993 2.121 1.00 0.00 H new ATOM 1498 N LEU A 420 98.532 6.425 -3.063 1.00 0.00 N ATOM 1499 CA LEU A 420 98.160 5.883 -4.364 1.00 0.00 C ATOM 1500 C LEU A 420 98.116 4.359 -4.312 1.00 0.00 C ATOM 1501 O LEU A 420 97.498 3.716 -5.160 1.00 0.00 O ATOM 1502 CB LEU A 420 99.170 6.349 -5.426 1.00 0.00 C ATOM 1503 CG LEU A 420 98.702 5.938 -6.851 1.00 0.00 C ATOM 1504 CD1 LEU A 420 99.018 7.055 -7.853 1.00 0.00 C ATOM 1505 CD2 LEU A 420 99.423 4.656 -7.303 1.00 0.00 C ATOM 0 H LEU A 420 99.313 7.081 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 420 97.168 6.247 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 420 99.285 7.432 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 420 100.148 5.914 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 420 97.627 5.762 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 420 98.686 6.756 -8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 420 98.500 7.967 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 420 100.093 7.237 -7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 420 99.085 4.381 -8.302 1.00 0.00 H new ATOM 0 HD22 LEU A 420 100.499 4.830 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 420 99.197 3.847 -6.608 1.00 0.00 H new ATOM 1517 N ARG A 421 98.781 3.788 -3.314 1.00 0.00 N ATOM 1518 CA ARG A 421 98.818 2.337 -3.161 1.00 0.00 C ATOM 1519 C ARG A 421 97.447 1.801 -2.753 1.00 0.00 C ATOM 1520 O ARG A 421 97.209 0.594 -2.785 1.00 0.00 O ATOM 1521 CB ARG A 421 99.856 1.955 -2.101 1.00 0.00 C ATOM 1522 CG ARG A 421 100.114 0.446 -2.149 1.00 0.00 C ATOM 1523 CD ARG A 421 101.301 0.098 -1.246 1.00 0.00 C ATOM 1524 NE ARG A 421 100.926 0.237 0.160 1.00 0.00 N ATOM 1525 CZ ARG A 421 101.046 1.397 0.800 1.00 0.00 C ATOM 1526 NH1 ARG A 421 101.506 2.448 0.176 1.00 0.00 N ATOM 1527 NH2 ARG A 421 100.701 1.486 2.056 1.00 0.00 N ATOM 0 H ARG A 421 99.299 4.303 -2.602 1.00 0.00 H new ATOM 0 HA ARG A 421 99.093 1.895 -4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 421 100.785 2.498 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 421 99.501 2.241 -1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 421 99.226 -0.095 -1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 421 100.320 0.135 -3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 421 101.630 -0.923 -1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 421 102.143 0.753 -1.472 1.00 0.00 H new ATOM 0 HE ARG A 421 100.564 -0.574 0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 421 101.775 2.381 -0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 421 101.596 3.336 0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 421 100.340 0.667 2.545 1.00 0.00 H new ATOM 0 HH22 ARG A 421 100.792 2.375 2.548 1.00 0.00 H new ATOM 1541 N GLN A 422 96.551 2.703 -2.365 1.00 0.00 N ATOM 1542 CA GLN A 422 95.208 2.304 -1.946 1.00 0.00 C ATOM 1543 C GLN A 422 94.303 2.085 -3.153 1.00 0.00 C ATOM 1544 O GLN A 422 93.797 0.983 -3.366 1.00 0.00 O ATOM 1545 CB GLN A 422 94.602 3.377 -1.041 1.00 0.00 C ATOM 1546 CG GLN A 422 93.332 2.833 -0.383 1.00 0.00 C ATOM 1547 CD GLN A 422 92.736 3.882 0.549 1.00 0.00 C ATOM 1548 OE1 GLN A 422 92.906 5.080 0.325 1.00 0.00 O ATOM 1549 NE2 GLN A 422 92.045 3.502 1.588 1.00 0.00 N ATOM 0 H GLN A 422 96.726 3.707 -2.331 1.00 0.00 H new ATOM 0 HA GLN A 422 95.289 1.366 -1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 422 95.322 3.673 -0.278 1.00 0.00 H new ATOM 0 HB3 GLN A 422 94.369 4.269 -1.622 1.00 0.00 H new ATOM 0 HG2 GLN A 422 92.605 2.559 -1.148 1.00 0.00 H new ATOM 0 HG3 GLN A 422 93.562 1.926 0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 422 91.905 2.509 1.772 1.00 0.00 H new ATOM 0 HE22 GLN A 422 91.644 4.198 2.217 1.00 0.00 H new ATOM 1558 N VAL A 423 94.097 3.137 -3.940 1.00 0.00 N ATOM 1559 CA VAL A 423 93.245 3.038 -5.120 1.00 0.00 C ATOM 1560 C VAL A 423 93.576 1.779 -5.920 1.00 0.00 C ATOM 1561 O VAL A 423 92.813 1.371 -6.795 1.00 0.00 O ATOM 1562 CB VAL A 423 93.426 4.279 -6.000 1.00 0.00 C ATOM 1563 CG1 VAL A 423 94.910 4.481 -6.309 1.00 0.00 C ATOM 1564 CG2 VAL A 423 92.651 4.101 -7.310 1.00 0.00 C ATOM 0 H VAL A 423 94.504 4.059 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 423 92.207 2.977 -4.793 1.00 0.00 H new ATOM 0 HB VAL A 423 93.045 5.152 -5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 423 95.034 5.365 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 423 95.460 4.616 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 423 95.294 3.607 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 423 92.782 4.986 -7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 423 93.027 3.225 -7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 423 91.592 3.965 -7.091 1.00 0.00 H new ATOM 1574 N GLN A 424 94.715 1.167 -5.611 1.00 0.00 N ATOM 1575 CA GLN A 424 95.131 -0.045 -6.305 1.00 0.00 C ATOM 1576 C GLN A 424 94.032 -1.102 -6.239 1.00 0.00 C ATOM 1577 O GLN A 424 94.125 -2.149 -6.881 1.00 0.00 O ATOM 1578 CB GLN A 424 96.412 -0.597 -5.675 1.00 0.00 C ATOM 1579 CG GLN A 424 97.596 0.293 -6.059 1.00 0.00 C ATOM 1580 CD GLN A 424 98.891 -0.295 -5.511 1.00 0.00 C ATOM 1581 OE1 GLN A 424 99.979 0.127 -5.901 1.00 0.00 O ATOM 1582 NE2 GLN A 424 98.838 -1.251 -4.624 1.00 0.00 N ATOM 0 H GLN A 424 95.361 1.488 -4.890 1.00 0.00 H new ATOM 0 HA GLN A 424 95.320 0.203 -7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 424 96.309 -0.635 -4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 424 96.586 -1.618 -6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 424 97.658 0.382 -7.144 1.00 0.00 H new ATOM 0 HG3 GLN A 424 97.448 1.298 -5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 424 97.935 -1.599 -4.302 1.00 0.00 H new ATOM 0 HE22 GLN A 424 99.700 -1.650 -4.252 1.00 0.00 H new