USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=23 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 345 SER OG : rot 136:sc= -2.06 USER MOD Set 1.2: A 424 GLN : amide:sc= -0.801 K(o=-2.9,f=-6.7!) USER MOD Set 2.1: A 353 SER OG : rot 180:sc= -0.0975 USER MOD Set 2.2: A 413 LYS NZ :NH3+ 152:sc= -0.141 (180deg=-0.803) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.019) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot 51:sc= -1.26 USER MOD Single : A 351 GLN : amide:sc= -3.52 K(o=-3.5,f=-1.5) USER MOD Single : A 354 SER OG : rot 180:sc= -0.0852 USER MOD Single : A 355 SER OG : rot 41:sc= -1.93! USER MOD Single : A 356 SER OG : rot -48:sc= 0.88 USER MOD Single : A 357 ASN : amide:sc= -0.4 K(o=-0.4,f=-1.5) USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.013) USER MOD Single : A 362 ASN : amide:sc= -0.0128 X(o=-0.013,f=-8.2e-05) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 LYS NZ :NH3+ -153:sc= -0.14 (180deg=-0.743) USER MOD Single : A 369 ASN : amide:sc= -1.03 K(o=-1,f=0.43) USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.75) USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 TYR OH : rot 180:sc= -0.0989 USER MOD Single : A 378 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 379 THR OG1 : rot 180:sc= 0 USER MOD Single : A 381 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 383 GLN : amide:sc= 0.641 K(o=0.64,f=-0.13) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 390 SER OG : 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= -0.0372! USER MOD Single : A 396 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 400 LYS NZ :NH3+ -170:sc= -2.62! (180deg=-2.68) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 SER OG : rot -39:sc= 0.685 USER MOD Single : A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 411 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 414 ASN : amide:sc= -3.58! K(o=-3.6!,f=-0.72) USER MOD Single : A 418 LYS NZ :NH3+ -137:sc= -2.83! (180deg=-7.07!) USER MOD Single : A 422 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 102.772 2.739 -7.099 1.00 0.00 N ATOM 322 CA SER A 345 101.705 3.123 -6.180 1.00 0.00 C ATOM 323 C SER A 345 102.238 4.064 -5.105 1.00 0.00 C ATOM 324 O SER A 345 101.488 4.855 -4.532 1.00 0.00 O ATOM 325 CB SER A 345 101.114 1.878 -5.523 1.00 0.00 C ATOM 326 OG SER A 345 100.459 1.091 -6.509 1.00 0.00 O ATOM 0 HA SER A 345 100.929 3.639 -6.746 1.00 0.00 H new ATOM 0 HB2 SER A 345 101.902 1.298 -5.043 1.00 0.00 H new ATOM 0 HB3 SER A 345 100.409 2.165 -4.743 1.00 0.00 H new ATOM 0 HG SER A 345 100.692 0.148 -6.382 1.00 0.00 H new ATOM 332 N SER A 346 103.536 3.974 -4.836 1.00 0.00 N ATOM 333 CA SER A 346 104.160 4.822 -3.827 1.00 0.00 C ATOM 334 C SER A 346 103.775 6.283 -4.042 1.00 0.00 C ATOM 335 O SER A 346 103.761 7.075 -3.100 1.00 0.00 O ATOM 336 CB SER A 346 105.680 4.677 -3.892 1.00 0.00 C ATOM 337 OG SER A 346 106.049 3.386 -3.427 1.00 0.00 O ATOM 0 H SER A 346 104.173 3.326 -5.300 1.00 0.00 H new ATOM 0 HA SER A 346 103.807 4.507 -2.845 1.00 0.00 H new ATOM 0 HB2 SER A 346 106.027 4.820 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 346 106.156 5.445 -3.283 1.00 0.00 H new ATOM 0 HG SER A 346 107.023 3.289 -3.469 1.00 0.00 H new ATOM 343 N HIS A 347 103.466 6.632 -5.286 1.00 0.00 N ATOM 344 CA HIS A 347 103.085 8.001 -5.611 1.00 0.00 C ATOM 345 C HIS A 347 102.024 8.507 -4.641 1.00 0.00 C ATOM 346 O HIS A 347 101.135 7.760 -4.232 1.00 0.00 O ATOM 347 CB HIS A 347 102.542 8.069 -7.041 1.00 0.00 C ATOM 348 CG HIS A 347 103.671 7.877 -8.016 1.00 0.00 C ATOM 349 ND1 HIS A 347 103.561 8.225 -9.353 1.00 0.00 N ATOM 350 CD2 HIS A 347 104.938 7.375 -7.862 1.00 0.00 C ATOM 351 CE1 HIS A 347 104.732 7.930 -9.947 1.00 0.00 C ATOM 352 NE2 HIS A 347 105.607 7.410 -9.083 1.00 0.00 N ATOM 0 H HIS A 347 103.472 5.992 -6.080 1.00 0.00 H new ATOM 0 HA HIS A 347 103.970 8.632 -5.527 1.00 0.00 H new ATOM 0 HB2 HIS A 347 101.784 7.300 -7.190 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.059 9.031 -7.213 1.00 0.00 H new ATOM 0 HD2 HIS A 347 105.354 7.008 -6.935 1.00 0.00 H new ATOM 0 HE1 HIS A 347 104.939 8.094 -10.994 1.00 0.00 H new ATOM 0 HE2 HIS A 347 106.561 7.104 -9.276 1.00 0.00 H new ATOM 361 N TYR A 348 102.122 9.785 -4.278 1.00 0.00 N ATOM 362 CA TYR A 348 101.165 10.400 -3.354 1.00 0.00 C ATOM 363 C TYR A 348 100.216 11.319 -4.117 1.00 0.00 C ATOM 364 O TYR A 348 100.639 12.105 -4.964 1.00 0.00 O ATOM 365 CB TYR A 348 101.918 11.200 -2.275 1.00 0.00 C ATOM 366 CG TYR A 348 102.355 10.274 -1.161 1.00 0.00 C ATOM 367 CD1 TYR A 348 103.578 9.598 -1.247 1.00 0.00 C ATOM 368 CD2 TYR A 348 101.532 10.093 -0.043 1.00 0.00 C ATOM 369 CE1 TYR A 348 103.977 8.742 -0.214 1.00 0.00 C ATOM 370 CE2 TYR A 348 101.930 9.236 0.988 1.00 0.00 C ATOM 371 CZ TYR A 348 103.153 8.560 0.904 1.00 0.00 C ATOM 372 OH TYR A 348 103.546 7.715 1.921 1.00 0.00 O ATOM 0 H TYR A 348 102.853 10.416 -4.608 1.00 0.00 H new ATOM 0 HA TYR A 348 100.583 9.614 -2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 348 102.787 11.691 -2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 348 101.275 11.985 -1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 348 104.213 9.737 -2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 348 100.589 10.616 0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 348 104.921 8.221 -0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 348 101.294 9.096 1.849 1.00 0.00 H new ATOM 0 HH TYR A 348 102.860 7.704 2.621 1.00 0.00 H new ATOM 382 N THR A 349 98.927 11.206 -3.807 1.00 0.00 N ATOM 383 CA THR A 349 97.902 12.018 -4.458 1.00 0.00 C ATOM 384 C THR A 349 96.885 12.502 -3.428 1.00 0.00 C ATOM 385 O THR A 349 96.015 11.745 -2.995 1.00 0.00 O ATOM 386 CB THR A 349 97.199 11.184 -5.539 1.00 0.00 C ATOM 387 OG1 THR A 349 97.022 9.858 -5.062 1.00 0.00 O ATOM 388 CG2 THR A 349 98.049 11.157 -6.813 1.00 0.00 C ATOM 0 H THR A 349 98.566 10.558 -3.107 1.00 0.00 H new ATOM 0 HA THR A 349 98.371 12.886 -4.921 1.00 0.00 H new ATOM 0 HB THR A 349 96.230 11.629 -5.766 1.00 0.00 H new ATOM 0 HG1 THR A 349 96.600 9.882 -4.178 1.00 0.00 H new ATOM 0 HG21 THR A 349 97.544 10.564 -7.575 1.00 0.00 H new ATOM 0 HG22 THR A 349 98.189 12.174 -7.179 1.00 0.00 H new ATOM 0 HG23 THR A 349 99.020 10.714 -6.593 1.00 0.00 H new ATOM 396 N LEU A 350 97.003 13.767 -3.042 1.00 0.00 N ATOM 397 CA LEU A 350 96.094 14.347 -2.061 1.00 0.00 C ATOM 398 C LEU A 350 94.646 14.169 -2.514 1.00 0.00 C ATOM 399 O LEU A 350 94.370 13.473 -3.491 1.00 0.00 O ATOM 400 CB LEU A 350 96.403 15.842 -1.880 1.00 0.00 C ATOM 401 CG LEU A 350 97.621 16.037 -0.955 1.00 0.00 C ATOM 402 CD1 LEU A 350 97.268 15.683 0.504 1.00 0.00 C ATOM 403 CD2 LEU A 350 98.781 15.156 -1.436 1.00 0.00 C ATOM 0 H LEU A 350 97.715 14.408 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 350 96.232 13.835 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 350 96.600 16.298 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.535 16.350 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 350 97.917 17.085 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 350 98.144 15.829 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 350 96.460 16.328 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 350 96.950 14.642 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 350 99.640 15.296 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 350 98.476 14.110 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 350 99.052 15.435 -2.454 1.00 0.00 H new ATOM 415 N GLN A 351 93.724 14.808 -1.793 1.00 0.00 N ATOM 416 CA GLN A 351 92.297 14.728 -2.116 1.00 0.00 C ATOM 417 C GLN A 351 91.726 16.125 -2.329 1.00 0.00 C ATOM 418 O GLN A 351 91.926 17.018 -1.508 1.00 0.00 O ATOM 419 CB GLN A 351 91.546 14.039 -0.975 1.00 0.00 C ATOM 420 CG GLN A 351 90.134 13.675 -1.437 1.00 0.00 C ATOM 421 CD GLN A 351 89.372 13.002 -0.303 1.00 0.00 C ATOM 422 OE1 GLN A 351 89.582 11.819 -0.029 1.00 0.00 O ATOM 423 NE2 GLN A 351 88.494 13.685 0.379 1.00 0.00 N ATOM 0 H GLN A 351 93.939 15.387 -0.981 1.00 0.00 H new ATOM 0 HA GLN A 351 92.177 14.150 -3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 351 92.081 13.141 -0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.497 14.698 -0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.605 14.572 -1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 351 90.185 13.008 -2.298 1.00 0.00 H new ATOM 0 HE21 GLN A 351 88.321 14.664 0.151 1.00 0.00 H new ATOM 0 HE22 GLN A 351 87.981 13.240 1.140 1.00 0.00 H new ATOM 432 N LEU A 352 91.016 16.309 -3.438 1.00 0.00 N ATOM 433 CA LEU A 352 90.422 17.606 -3.754 1.00 0.00 C ATOM 434 C LEU A 352 89.020 17.717 -3.156 1.00 0.00 C ATOM 435 O LEU A 352 88.552 18.816 -2.855 1.00 0.00 O ATOM 436 CB LEU A 352 90.355 17.786 -5.278 1.00 0.00 C ATOM 437 CG LEU A 352 91.736 18.175 -5.820 1.00 0.00 C ATOM 438 CD1 LEU A 352 92.797 17.202 -5.297 1.00 0.00 C ATOM 439 CD2 LEU A 352 91.711 18.126 -7.350 1.00 0.00 C ATOM 0 H LEU A 352 90.838 15.581 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 352 91.045 18.390 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 352 90.018 16.862 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 352 89.626 18.556 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 352 91.981 19.183 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 352 93.775 17.486 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 352 92.817 17.236 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 352 92.556 16.191 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 352 92.691 18.402 -7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 352 91.462 17.117 -7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 352 90.962 18.824 -7.724 1.00 0.00 H new ATOM 451 N SER A 353 88.356 16.577 -2.984 1.00 0.00 N ATOM 452 CA SER A 353 87.009 16.568 -2.417 1.00 0.00 C ATOM 453 C SER A 353 86.511 15.139 -2.234 1.00 0.00 C ATOM 454 O SER A 353 87.124 14.190 -2.723 1.00 0.00 O ATOM 455 CB SER A 353 86.049 17.320 -3.335 1.00 0.00 C ATOM 456 OG SER A 353 84.721 17.166 -2.853 1.00 0.00 O ATOM 0 H SER A 353 88.723 15.657 -3.226 1.00 0.00 H new ATOM 0 HA SER A 353 87.047 17.059 -1.444 1.00 0.00 H new ATOM 0 HB2 SER A 353 86.315 18.376 -3.371 1.00 0.00 H new ATOM 0 HB3 SER A 353 86.126 16.937 -4.353 1.00 0.00 H new ATOM 0 HG SER A 353 84.102 17.649 -3.439 1.00 0.00 H new ATOM 462 N SER A 354 85.393 14.994 -1.526 1.00 0.00 N ATOM 463 CA SER A 354 84.813 13.676 -1.282 1.00 0.00 C ATOM 464 C SER A 354 83.304 13.787 -1.080 1.00 0.00 C ATOM 465 O SER A 354 82.796 14.831 -0.668 1.00 0.00 O ATOM 466 CB SER A 354 85.449 13.046 -0.043 1.00 0.00 C ATOM 467 OG SER A 354 84.621 11.988 0.421 1.00 0.00 O ATOM 0 H SER A 354 84.873 15.769 -1.113 1.00 0.00 H new ATOM 0 HA SER A 354 85.009 13.046 -2.150 1.00 0.00 H new ATOM 0 HB2 SER A 354 86.443 12.668 -0.282 1.00 0.00 H new ATOM 0 HB3 SER A 354 85.573 13.796 0.738 1.00 0.00 H new ATOM 0 HG SER A 354 85.026 11.580 1.215 1.00 0.00 H new ATOM 473 N SER A 355 82.596 12.702 -1.370 1.00 0.00 N ATOM 474 CA SER A 355 81.145 12.673 -1.218 1.00 0.00 C ATOM 475 C SER A 355 80.580 11.425 -1.900 1.00 0.00 C ATOM 476 O SER A 355 81.329 10.514 -2.250 1.00 0.00 O ATOM 477 CB SER A 355 80.525 13.958 -1.808 1.00 0.00 C ATOM 478 OG SER A 355 81.425 14.518 -2.754 1.00 0.00 O ATOM 0 H SER A 355 83.002 11.831 -1.712 1.00 0.00 H new ATOM 0 HA SER A 355 80.891 12.631 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 355 79.572 13.730 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 355 80.320 14.676 -1.013 1.00 0.00 H new ATOM 0 HG SER A 355 81.829 13.801 -3.286 1.00 0.00 H new ATOM 484 N SER A 356 79.259 11.383 -2.082 1.00 0.00 N ATOM 485 CA SER A 356 78.610 10.233 -2.720 1.00 0.00 C ATOM 486 C SER A 356 77.565 10.694 -3.732 1.00 0.00 C ATOM 487 O SER A 356 76.397 10.313 -3.649 1.00 0.00 O ATOM 488 CB SER A 356 77.939 9.364 -1.656 1.00 0.00 C ATOM 489 OG SER A 356 77.244 8.299 -2.291 1.00 0.00 O ATOM 0 H SER A 356 78.620 12.126 -1.799 1.00 0.00 H new ATOM 0 HA SER A 356 79.371 9.654 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A 356 78.687 8.967 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 356 77.247 9.963 -1.063 1.00 0.00 H new ATOM 0 HG SER A 356 76.698 8.655 -3.023 1.00 0.00 H new ATOM 495 N ASN A 357 77.992 11.514 -4.685 1.00 0.00 N ATOM 496 CA ASN A 357 77.081 12.019 -5.706 1.00 0.00 C ATOM 497 C ASN A 357 77.861 12.567 -6.900 1.00 0.00 C ATOM 498 O ASN A 357 78.638 13.508 -6.764 1.00 0.00 O ATOM 499 CB ASN A 357 76.195 13.118 -5.111 1.00 0.00 C ATOM 500 CG ASN A 357 77.020 14.012 -4.192 1.00 0.00 C ATOM 501 OD1 ASN A 357 76.772 14.063 -2.987 1.00 0.00 O ATOM 502 ND2 ASN A 357 77.995 14.724 -4.691 1.00 0.00 N ATOM 0 H ASN A 357 78.954 11.841 -4.773 1.00 0.00 H new ATOM 0 HA ASN A 357 76.454 11.197 -6.052 1.00 0.00 H new ATOM 0 HB2 ASN A 357 75.753 13.713 -5.910 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.372 12.671 -4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 357 78.552 15.323 -4.082 1.00 0.00 H new ATOM 0 HD22 ASN A 357 78.199 14.681 -5.689 1.00 0.00 H new ATOM 509 N TYR A 358 77.643 11.968 -8.068 1.00 0.00 N ATOM 510 CA TYR A 358 78.329 12.402 -9.282 1.00 0.00 C ATOM 511 C TYR A 358 77.737 13.711 -9.797 1.00 0.00 C ATOM 512 O TYR A 358 78.447 14.703 -9.958 1.00 0.00 O ATOM 513 CB TYR A 358 78.210 11.320 -10.361 1.00 0.00 C ATOM 514 CG TYR A 358 78.805 11.821 -11.658 1.00 0.00 C ATOM 515 CD1 TYR A 358 78.040 12.624 -12.513 1.00 0.00 C ATOM 516 CD2 TYR A 358 80.119 11.482 -12.006 1.00 0.00 C ATOM 517 CE1 TYR A 358 78.589 13.088 -13.714 1.00 0.00 C ATOM 518 CE2 TYR A 358 80.667 11.948 -13.206 1.00 0.00 C ATOM 519 CZ TYR A 358 79.902 12.751 -14.061 1.00 0.00 C ATOM 520 OH TYR A 358 80.442 13.209 -15.245 1.00 0.00 O ATOM 0 H TYR A 358 77.001 11.186 -8.199 1.00 0.00 H new ATOM 0 HA TYR A 358 79.380 12.565 -9.046 1.00 0.00 H new ATOM 0 HB2 TYR A 358 78.726 10.415 -10.040 1.00 0.00 H new ATOM 0 HB3 TYR A 358 77.163 11.055 -10.509 1.00 0.00 H new ATOM 0 HD1 TYR A 358 77.027 12.885 -12.246 1.00 0.00 H new ATOM 0 HD2 TYR A 358 80.709 10.861 -11.348 1.00 0.00 H new ATOM 0 HE1 TYR A 358 77.999 13.707 -14.374 1.00 0.00 H new ATOM 0 HE2 TYR A 358 81.681 11.688 -13.473 1.00 0.00 H new ATOM 0 HH TYR A 358 81.363 12.884 -15.332 1.00 0.00 H new ATOM 530 N ASP A 359 76.435 13.706 -10.057 1.00 0.00 N ATOM 531 CA ASP A 359 75.762 14.899 -10.558 1.00 0.00 C ATOM 532 C ASP A 359 76.149 16.124 -9.733 1.00 0.00 C ATOM 533 O ASP A 359 76.810 17.035 -10.230 1.00 0.00 O ATOM 534 CB ASP A 359 74.246 14.705 -10.503 1.00 0.00 C ATOM 535 CG ASP A 359 73.547 15.838 -11.246 1.00 0.00 C ATOM 536 OD1 ASP A 359 74.198 16.836 -11.511 1.00 0.00 O ATOM 537 OD2 ASP A 359 72.373 15.692 -11.539 1.00 0.00 O ATOM 0 H ASP A 359 75.828 12.896 -9.931 1.00 0.00 H new ATOM 0 HA ASP A 359 76.072 15.059 -11.591 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.977 13.747 -10.948 1.00 0.00 H new ATOM 0 HB3 ASP A 359 73.912 14.679 -9.466 1.00 0.00 H new ATOM 542 N ASN A 360 75.726 16.139 -8.474 1.00 0.00 N ATOM 543 CA ASN A 360 76.025 17.258 -7.588 1.00 0.00 C ATOM 544 C ASN A 360 77.482 17.696 -7.728 1.00 0.00 C ATOM 545 O ASN A 360 77.798 18.877 -7.586 1.00 0.00 O ATOM 546 CB ASN A 360 75.748 16.862 -6.137 1.00 0.00 C ATOM 547 CG ASN A 360 76.122 18.008 -5.203 1.00 0.00 C ATOM 548 OD1 ASN A 360 75.283 18.855 -4.891 1.00 0.00 O ATOM 549 ND2 ASN A 360 77.337 18.087 -4.736 1.00 0.00 N ATOM 0 H ASN A 360 75.178 15.393 -8.045 1.00 0.00 H new ATOM 0 HA ASN A 360 75.384 18.093 -7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 360 74.694 16.611 -6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 360 76.320 15.970 -5.879 1.00 0.00 H new ATOM 0 HD21 ASN A 360 77.595 18.851 -4.111 1.00 0.00 H new ATOM 0 HD22 ASN A 360 78.030 17.385 -4.996 1.00 0.00 H new ATOM 556 N LEU A 361 78.367 16.742 -8.004 1.00 0.00 N ATOM 557 CA LEU A 361 79.785 17.058 -8.156 1.00 0.00 C ATOM 558 C LEU A 361 79.993 18.009 -9.330 1.00 0.00 C ATOM 559 O LEU A 361 80.571 19.085 -9.172 1.00 0.00 O ATOM 560 CB LEU A 361 80.594 15.764 -8.370 1.00 0.00 C ATOM 561 CG LEU A 361 82.047 15.949 -7.897 1.00 0.00 C ATOM 562 CD1 LEU A 361 82.780 14.603 -7.946 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.768 16.956 -8.803 1.00 0.00 C ATOM 0 H LEU A 361 78.133 15.757 -8.126 1.00 0.00 H new ATOM 0 HA LEU A 361 80.135 17.547 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 361 80.129 14.944 -7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 361 80.581 15.491 -9.425 1.00 0.00 H new ATOM 0 HG LEU A 361 82.043 16.325 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 361 83.809 14.736 -7.611 1.00 0.00 H new ATOM 0 HD12 LEU A 361 82.275 13.890 -7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 361 82.778 14.225 -8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.796 17.082 -8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.769 16.587 -9.829 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.253 17.916 -8.763 1.00 0.00 H new ATOM 575 N ASN A 362 79.510 17.612 -10.507 1.00 0.00 N ATOM 576 CA ASN A 362 79.645 18.442 -11.702 1.00 0.00 C ATOM 577 C ASN A 362 79.427 19.914 -11.362 1.00 0.00 C ATOM 578 O ASN A 362 80.169 20.784 -11.816 1.00 0.00 O ATOM 579 CB ASN A 362 78.627 18.002 -12.757 1.00 0.00 C ATOM 580 CG ASN A 362 78.992 18.592 -14.114 1.00 0.00 C ATOM 581 OD1 ASN A 362 78.255 19.419 -14.651 1.00 0.00 O ATOM 582 ND2 ASN A 362 80.094 18.216 -14.704 1.00 0.00 N ATOM 0 H ASN A 362 79.025 16.727 -10.658 1.00 0.00 H new ATOM 0 HA ASN A 362 80.654 18.320 -12.096 1.00 0.00 H new ATOM 0 HB2 ASN A 362 78.603 16.914 -12.819 1.00 0.00 H new ATOM 0 HB3 ASN A 362 77.628 18.327 -12.467 1.00 0.00 H new ATOM 0 HD21 ASN A 362 80.346 18.608 -15.612 1.00 0.00 H new ATOM 0 HD22 ASN A 362 80.703 17.531 -14.257 1.00 0.00 H new ATOM 589 N GLY A 363 78.410 20.181 -10.552 1.00 0.00 N ATOM 590 CA GLY A 363 78.111 21.546 -10.147 1.00 0.00 C ATOM 591 C GLY A 363 79.320 22.179 -9.465 1.00 0.00 C ATOM 592 O GLY A 363 79.802 23.230 -9.887 1.00 0.00 O ATOM 0 H GLY A 363 77.783 19.475 -10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 363 77.828 22.136 -11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.259 21.551 -9.467 1.00 0.00 H new ATOM 596 N TRP A 364 79.803 21.534 -8.407 1.00 0.00 N ATOM 597 CA TRP A 364 80.954 22.044 -7.671 1.00 0.00 C ATOM 598 C TRP A 364 82.182 22.138 -8.574 1.00 0.00 C ATOM 599 O TRP A 364 82.672 23.230 -8.857 1.00 0.00 O ATOM 600 CB TRP A 364 81.268 21.130 -6.483 1.00 0.00 C ATOM 601 CG TRP A 364 82.427 21.692 -5.728 1.00 0.00 C ATOM 602 CD1 TRP A 364 82.431 22.890 -5.097 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.750 21.114 -5.516 1.00 0.00 C ATOM 604 NE1 TRP A 364 83.671 23.084 -4.513 1.00 0.00 N ATOM 605 CE2 TRP A 364 84.517 22.019 -4.744 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.355 19.904 -5.913 1.00 0.00 C ATOM 607 CZ2 TRP A 364 85.834 21.738 -4.380 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.682 19.622 -5.549 1.00 0.00 C ATOM 609 CH2 TRP A 364 86.419 20.536 -4.785 1.00 0.00 C ATOM 0 H TRP A 364 79.418 20.663 -8.042 1.00 0.00 H new ATOM 0 HA TRP A 364 80.706 23.042 -7.310 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.398 21.048 -5.831 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.499 20.124 -6.833 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.602 23.581 -5.056 1.00 0.00 H new ATOM 0 HE1 TRP A 364 83.928 23.913 -3.977 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.795 19.191 -6.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 86.397 22.445 -3.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 86.137 18.694 -5.860 1.00 0.00 H new ATOM 0 HH2 TRP A 364 87.439 20.311 -4.509 1.00 0.00 H new ATOM 620 N ALA A 365 82.677 20.985 -9.014 1.00 0.00 N ATOM 621 CA ALA A 365 83.856 20.944 -9.880 1.00 0.00 C ATOM 622 C ALA A 365 83.818 22.071 -10.910 1.00 0.00 C ATOM 623 O ALA A 365 84.814 22.763 -11.123 1.00 0.00 O ATOM 624 CB ALA A 365 83.928 19.595 -10.599 1.00 0.00 C ATOM 0 H ALA A 365 82.285 20.071 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 365 84.740 21.074 -9.256 1.00 0.00 H new ATOM 0 HB1 ALA A 365 84.808 19.572 -11.242 1.00 0.00 H new ATOM 0 HB2 ALA A 365 83.995 18.794 -9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.032 19.457 -11.205 1.00 0.00 H new ATOM 630 N LYS A 366 82.666 22.248 -11.546 1.00 0.00 N ATOM 631 CA LYS A 366 82.513 23.293 -12.551 1.00 0.00 C ATOM 632 C LYS A 366 82.715 24.672 -11.929 1.00 0.00 C ATOM 633 O LYS A 366 83.422 25.514 -12.483 1.00 0.00 O ATOM 634 CB LYS A 366 81.119 23.212 -13.183 1.00 0.00 C ATOM 635 CG LYS A 366 81.012 21.967 -14.086 1.00 0.00 C ATOM 636 CD LYS A 366 81.547 22.274 -15.491 1.00 0.00 C ATOM 637 CE LYS A 366 81.280 21.081 -16.408 1.00 0.00 C ATOM 638 NZ LYS A 366 81.680 21.424 -17.802 1.00 0.00 N ATOM 0 H LYS A 366 81.830 21.686 -11.386 1.00 0.00 H new ATOM 0 HA LYS A 366 83.269 23.142 -13.321 1.00 0.00 H new ATOM 0 HB2 LYS A 366 80.360 23.169 -12.402 1.00 0.00 H new ATOM 0 HB3 LYS A 366 80.924 24.111 -13.767 1.00 0.00 H new ATOM 0 HG2 LYS A 366 81.576 21.143 -13.648 1.00 0.00 H new ATOM 0 HG3 LYS A 366 79.973 21.644 -14.149 1.00 0.00 H new ATOM 0 HD2 LYS A 366 81.065 23.167 -15.888 1.00 0.00 H new ATOM 0 HD3 LYS A 366 82.616 22.481 -15.448 1.00 0.00 H new ATOM 0 HE2 LYS A 366 81.838 20.211 -16.062 1.00 0.00 H new ATOM 0 HE3 LYS A 366 80.224 20.815 -16.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 81.498 20.612 -18.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 81.128 22.242 -18.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 82.693 21.658 -17.825 1.00 0.00 H new ATOM 652 N LYS A 367 82.090 24.900 -10.778 1.00 0.00 N ATOM 653 CA LYS A 367 82.213 26.185 -10.096 1.00 0.00 C ATOM 654 C LYS A 367 83.677 26.495 -9.800 1.00 0.00 C ATOM 655 O LYS A 367 84.246 27.435 -10.354 1.00 0.00 O ATOM 656 CB LYS A 367 81.414 26.166 -8.788 1.00 0.00 C ATOM 657 CG LYS A 367 79.919 26.260 -9.097 1.00 0.00 C ATOM 658 CD LYS A 367 79.113 25.881 -7.852 1.00 0.00 C ATOM 659 CE LYS A 367 77.659 26.321 -8.030 1.00 0.00 C ATOM 660 NZ LYS A 367 77.588 27.810 -8.044 1.00 0.00 N ATOM 0 H LYS A 367 81.499 24.219 -10.301 1.00 0.00 H new ATOM 0 HA LYS A 367 81.814 26.961 -10.749 1.00 0.00 H new ATOM 0 HB2 LYS A 367 81.624 25.250 -8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 367 81.717 26.998 -8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 367 79.665 27.272 -9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 367 79.666 25.596 -9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 367 79.161 24.804 -7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 367 79.542 26.356 -6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 367 77.257 25.918 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 367 77.046 25.925 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 76.652 28.116 -7.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 78.323 28.198 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 77.740 28.156 -9.013 1.00 0.00 H new ATOM 674 N GLU A 368 84.284 25.697 -8.925 1.00 0.00 N ATOM 675 CA GLU A 368 85.684 25.902 -8.572 1.00 0.00 C ATOM 676 C GLU A 368 86.550 25.891 -9.826 1.00 0.00 C ATOM 677 O GLU A 368 87.662 26.418 -9.832 1.00 0.00 O ATOM 678 CB GLU A 368 86.150 24.802 -7.614 1.00 0.00 C ATOM 679 CG GLU A 368 85.546 25.039 -6.229 1.00 0.00 C ATOM 680 CD GLU A 368 86.198 26.252 -5.576 1.00 0.00 C ATOM 681 OE1 GLU A 368 87.378 26.460 -5.802 1.00 0.00 O ATOM 682 OE2 GLU A 368 85.506 26.957 -4.858 1.00 0.00 O ATOM 0 H GLU A 368 83.834 24.912 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 368 85.782 26.870 -8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 368 85.848 23.825 -7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 368 87.238 24.797 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 368 84.471 25.196 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 368 85.691 24.158 -5.604 1.00 0.00 H new ATOM 689 N ASN A 369 86.025 25.290 -10.889 1.00 0.00 N ATOM 690 CA ASN A 369 86.748 25.217 -12.152 1.00 0.00 C ATOM 691 C ASN A 369 88.058 24.452 -11.990 1.00 0.00 C ATOM 692 O ASN A 369 89.128 24.961 -12.319 1.00 0.00 O ATOM 693 CB ASN A 369 87.041 26.627 -12.668 1.00 0.00 C ATOM 694 CG ASN A 369 87.446 26.574 -14.137 1.00 0.00 C ATOM 695 OD1 ASN A 369 88.473 25.986 -14.478 1.00 0.00 O ATOM 696 ND2 ASN A 369 86.695 27.155 -15.033 1.00 0.00 N ATOM 0 H ASN A 369 85.106 24.849 -10.901 1.00 0.00 H new ATOM 0 HA ASN A 369 86.123 24.686 -12.870 1.00 0.00 H new ATOM 0 HB2 ASN A 369 86.159 27.257 -12.548 1.00 0.00 H new ATOM 0 HB3 ASN A 369 87.839 27.080 -12.079 1.00 0.00 H new ATOM 0 HD21 ASN A 369 86.958 27.123 -16.018 1.00 0.00 H new ATOM 0 HD22 ASN A 369 85.845 27.641 -14.748 1.00 0.00 H new ATOM 703 N LEU A 370 87.968 23.220 -11.494 1.00 0.00 N ATOM 704 CA LEU A 370 89.159 22.399 -11.311 1.00 0.00 C ATOM 705 C LEU A 370 89.880 22.238 -12.645 1.00 0.00 C ATOM 706 O LEU A 370 89.318 21.705 -13.600 1.00 0.00 O ATOM 707 CB LEU A 370 88.774 21.018 -10.766 1.00 0.00 C ATOM 708 CG LEU A 370 87.868 21.167 -9.537 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.335 19.789 -9.128 1.00 0.00 C ATOM 710 CD2 LEU A 370 88.663 21.770 -8.371 1.00 0.00 C ATOM 0 H LEU A 370 87.094 22.774 -11.215 1.00 0.00 H new ATOM 0 HA LEU A 370 89.819 22.890 -10.596 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.261 20.445 -11.538 1.00 0.00 H new ATOM 0 HB3 LEU A 370 89.672 20.461 -10.499 1.00 0.00 H new ATOM 0 HG LEU A 370 87.036 21.826 -9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 370 86.691 19.893 -8.255 1.00 0.00 H new ATOM 0 HD12 LEU A 370 86.764 19.361 -9.952 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.171 19.133 -8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 370 88.013 21.873 -7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.499 21.116 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 370 89.043 22.751 -8.658 1.00 0.00 H new ATOM 722 N LYS A 371 91.125 22.710 -12.714 1.00 0.00 N ATOM 723 CA LYS A 371 91.910 22.618 -13.947 1.00 0.00 C ATOM 724 C LYS A 371 92.875 21.438 -13.888 1.00 0.00 C ATOM 725 O LYS A 371 93.282 21.010 -12.809 1.00 0.00 O ATOM 726 CB LYS A 371 92.703 23.910 -14.152 1.00 0.00 C ATOM 727 CG LYS A 371 91.765 25.111 -14.022 1.00 0.00 C ATOM 728 CD LYS A 371 92.537 26.396 -14.330 1.00 0.00 C ATOM 729 CE LYS A 371 91.611 27.602 -14.160 1.00 0.00 C ATOM 730 NZ LYS A 371 92.424 28.850 -14.116 1.00 0.00 N ATOM 0 H LYS A 371 91.610 23.157 -11.936 1.00 0.00 H new ATOM 0 HA LYS A 371 91.224 22.469 -14.780 1.00 0.00 H new ATOM 0 HB2 LYS A 371 93.503 23.979 -13.415 1.00 0.00 H new ATOM 0 HB3 LYS A 371 93.174 23.908 -15.135 1.00 0.00 H new ATOM 0 HG2 LYS A 371 90.924 25.006 -14.708 1.00 0.00 H new ATOM 0 HG3 LYS A 371 91.351 25.155 -13.015 1.00 0.00 H new ATOM 0 HD2 LYS A 371 93.395 26.486 -13.663 1.00 0.00 H new ATOM 0 HD3 LYS A 371 92.926 26.364 -15.348 1.00 0.00 H new ATOM 0 HE2 LYS A 371 90.900 27.647 -14.985 1.00 0.00 H new ATOM 0 HE3 LYS A 371 91.030 27.501 -13.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 91.795 29.670 -14.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 93.085 28.805 -13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 92.960 28.947 -15.002 1.00 0.00 H new ATOM 744 N ASN A 372 93.236 20.921 -15.058 1.00 0.00 N ATOM 745 CA ASN A 372 94.155 19.792 -15.132 1.00 0.00 C ATOM 746 C ASN A 372 93.683 18.655 -14.233 1.00 0.00 C ATOM 747 O ASN A 372 94.264 18.404 -13.176 1.00 0.00 O ATOM 748 CB ASN A 372 95.558 20.233 -14.707 1.00 0.00 C ATOM 749 CG ASN A 372 96.499 19.032 -14.684 1.00 0.00 C ATOM 750 OD1 ASN A 372 96.986 18.604 -15.730 1.00 0.00 O ATOM 751 ND2 ASN A 372 96.784 18.461 -13.545 1.00 0.00 N ATOM 0 H ASN A 372 92.909 21.263 -15.962 1.00 0.00 H new ATOM 0 HA ASN A 372 94.182 19.437 -16.162 1.00 0.00 H new ATOM 0 HB2 ASN A 372 95.935 20.988 -15.397 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.520 20.694 -13.720 1.00 0.00 H new ATOM 0 HD21 ASN A 372 97.412 17.658 -13.520 1.00 0.00 H new ATOM 0 HD22 ASN A 372 96.379 18.818 -12.680 1.00 0.00 H new ATOM 758 N TYR A 373 92.625 17.971 -14.657 1.00 0.00 N ATOM 759 CA TYR A 373 92.086 16.864 -13.879 1.00 0.00 C ATOM 760 C TYR A 373 91.130 16.024 -14.729 1.00 0.00 C ATOM 761 O TYR A 373 90.713 16.443 -15.808 1.00 0.00 O ATOM 762 CB TYR A 373 91.366 17.404 -12.630 1.00 0.00 C ATOM 763 CG TYR A 373 89.968 17.879 -12.984 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.791 18.881 -13.946 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.853 17.311 -12.353 1.00 0.00 C ATOM 766 CE1 TYR A 373 88.501 19.314 -14.277 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.564 17.747 -12.684 1.00 0.00 C ATOM 768 CZ TYR A 373 87.388 18.748 -13.646 1.00 0.00 C ATOM 769 OH TYR A 373 86.118 19.176 -13.972 1.00 0.00 O ATOM 0 H TYR A 373 92.128 18.162 -15.527 1.00 0.00 H new ATOM 0 HA TYR A 373 92.909 16.224 -13.562 1.00 0.00 H new ATOM 0 HB2 TYR A 373 91.310 16.624 -11.870 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.938 18.227 -12.201 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.649 19.320 -14.433 1.00 0.00 H new ATOM 0 HD2 TYR A 373 88.988 16.537 -11.612 1.00 0.00 H new ATOM 0 HE1 TYR A 373 88.365 20.086 -15.020 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.705 17.310 -12.196 1.00 0.00 H new ATOM 0 HH TYR A 373 85.460 18.679 -13.443 1.00 0.00 H new ATOM 779 N VAL A 374 90.788 14.837 -14.230 1.00 0.00 N ATOM 780 CA VAL A 374 89.879 13.937 -14.943 1.00 0.00 C ATOM 781 C VAL A 374 88.912 13.276 -13.967 1.00 0.00 C ATOM 782 O VAL A 374 89.325 12.736 -12.941 1.00 0.00 O ATOM 783 CB VAL A 374 90.682 12.860 -15.675 1.00 0.00 C ATOM 784 CG1 VAL A 374 89.734 11.992 -16.505 1.00 0.00 C ATOM 785 CG2 VAL A 374 91.702 13.527 -16.600 1.00 0.00 C ATOM 0 H VAL A 374 91.125 14.476 -13.338 1.00 0.00 H new ATOM 0 HA VAL A 374 89.309 14.520 -15.666 1.00 0.00 H new ATOM 0 HB VAL A 374 91.202 12.237 -14.947 1.00 0.00 H new ATOM 0 HG11 VAL A 374 90.306 11.225 -17.027 1.00 0.00 H new ATOM 0 HG12 VAL A 374 89.006 11.518 -15.847 1.00 0.00 H new ATOM 0 HG13 VAL A 374 89.214 12.615 -17.233 1.00 0.00 H new ATOM 0 HG21 VAL A 374 92.275 12.761 -17.122 1.00 0.00 H new ATOM 0 HG22 VAL A 374 91.181 14.150 -17.327 1.00 0.00 H new ATOM 0 HG23 VAL A 374 92.378 14.146 -16.010 1.00 0.00 H new ATOM 795 N VAL A 375 87.623 13.320 -14.292 1.00 0.00 N ATOM 796 CA VAL A 375 86.605 12.721 -13.435 1.00 0.00 C ATOM 797 C VAL A 375 86.523 11.217 -13.673 1.00 0.00 C ATOM 798 O VAL A 375 86.346 10.768 -14.806 1.00 0.00 O ATOM 799 CB VAL A 375 85.242 13.356 -13.723 1.00 0.00 C ATOM 800 CG1 VAL A 375 84.231 12.912 -12.664 1.00 0.00 C ATOM 801 CG2 VAL A 375 85.373 14.884 -13.700 1.00 0.00 C ATOM 0 H VAL A 375 87.260 13.761 -15.137 1.00 0.00 H new ATOM 0 HA VAL A 375 86.880 12.901 -12.396 1.00 0.00 H new ATOM 0 HB VAL A 375 84.896 13.036 -14.706 1.00 0.00 H new ATOM 0 HG11 VAL A 375 83.262 13.366 -12.873 1.00 0.00 H new ATOM 0 HG12 VAL A 375 84.135 11.826 -12.685 1.00 0.00 H new ATOM 0 HG13 VAL A 375 84.574 13.227 -11.679 1.00 0.00 H new ATOM 0 HG21 VAL A 375 84.402 15.336 -13.905 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.722 15.205 -12.718 1.00 0.00 H new ATOM 0 HG23 VAL A 375 86.088 15.199 -14.460 1.00 0.00 H new ATOM 811 N TYR A 376 86.654 10.438 -12.599 1.00 0.00 N ATOM 812 CA TYR A 376 86.593 8.980 -12.704 1.00 0.00 C ATOM 813 C TYR A 376 85.966 8.378 -11.450 1.00 0.00 C ATOM 814 O TYR A 376 85.766 9.067 -10.450 1.00 0.00 O ATOM 815 CB TYR A 376 88.001 8.410 -12.908 1.00 0.00 C ATOM 816 CG TYR A 376 88.810 8.575 -11.639 1.00 0.00 C ATOM 817 CD1 TYR A 376 89.191 9.855 -11.215 1.00 0.00 C ATOM 818 CD2 TYR A 376 89.179 7.452 -10.888 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.941 10.009 -10.042 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.929 7.607 -9.716 1.00 0.00 C ATOM 821 CZ TYR A 376 90.309 8.886 -9.293 1.00 0.00 C ATOM 822 OH TYR A 376 91.047 9.039 -8.137 1.00 0.00 O ATOM 0 H TYR A 376 86.802 10.789 -11.653 1.00 0.00 H new ATOM 0 HA TYR A 376 85.973 8.720 -13.562 1.00 0.00 H new ATOM 0 HB2 TYR A 376 87.941 7.355 -13.177 1.00 0.00 H new ATOM 0 HB3 TYR A 376 88.494 8.922 -13.734 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.907 10.722 -11.792 1.00 0.00 H new ATOM 0 HD2 TYR A 376 88.885 6.465 -11.213 1.00 0.00 H new ATOM 0 HE1 TYR A 376 90.235 10.995 -9.715 1.00 0.00 H new ATOM 0 HE2 TYR A 376 90.214 6.740 -9.139 1.00 0.00 H new ATOM 0 HH TYR A 376 91.216 8.160 -7.738 1.00 0.00 H new ATOM 832 N GLU A 377 85.653 7.084 -11.514 1.00 0.00 N ATOM 833 CA GLU A 377 85.038 6.386 -10.383 1.00 0.00 C ATOM 834 C GLU A 377 86.087 5.622 -9.577 1.00 0.00 C ATOM 835 O GLU A 377 87.169 5.314 -10.075 1.00 0.00 O ATOM 836 CB GLU A 377 83.983 5.404 -10.895 1.00 0.00 C ATOM 837 CG GLU A 377 84.579 4.549 -12.014 1.00 0.00 C ATOM 838 CD GLU A 377 83.595 3.456 -12.417 1.00 0.00 C ATOM 839 OE1 GLU A 377 82.473 3.493 -11.942 1.00 0.00 O ATOM 840 OE2 GLU A 377 83.980 2.598 -13.196 1.00 0.00 O ATOM 0 H GLU A 377 85.814 6.499 -12.334 1.00 0.00 H new ATOM 0 HA GLU A 377 84.572 7.129 -9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 377 83.639 4.767 -10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 377 83.113 5.948 -11.263 1.00 0.00 H new ATOM 0 HG2 GLU A 377 84.813 5.175 -12.875 1.00 0.00 H new ATOM 0 HG3 GLU A 377 85.516 4.102 -11.681 1.00 0.00 H new ATOM 847 N THR A 378 85.744 5.316 -8.332 1.00 0.00 N ATOM 848 CA THR A 378 86.642 4.580 -7.449 1.00 0.00 C ATOM 849 C THR A 378 85.867 4.053 -6.245 1.00 0.00 C ATOM 850 O THR A 378 84.637 4.043 -6.249 1.00 0.00 O ATOM 851 CB THR A 378 87.799 5.476 -6.986 1.00 0.00 C ATOM 852 OG1 THR A 378 88.799 4.672 -6.375 1.00 0.00 O ATOM 853 CG2 THR A 378 87.298 6.515 -5.980 1.00 0.00 C ATOM 0 H THR A 378 84.850 5.566 -7.910 1.00 0.00 H new ATOM 0 HA THR A 378 87.061 3.738 -7.999 1.00 0.00 H new ATOM 0 HB THR A 378 88.214 5.994 -7.850 1.00 0.00 H new ATOM 0 HG1 THR A 378 89.540 5.241 -6.079 1.00 0.00 H new ATOM 0 HG21 THR A 378 88.130 7.143 -5.661 1.00 0.00 H new ATOM 0 HG22 THR A 378 86.534 7.135 -6.448 1.00 0.00 H new ATOM 0 HG23 THR A 378 86.873 6.008 -5.114 1.00 0.00 H new ATOM 861 N THR A 379 86.589 3.619 -5.212 1.00 0.00 N ATOM 862 CA THR A 379 85.954 3.096 -4.001 1.00 0.00 C ATOM 863 C THR A 379 86.151 4.058 -2.835 1.00 0.00 C ATOM 864 O THR A 379 87.098 4.845 -2.820 1.00 0.00 O ATOM 865 CB THR A 379 86.557 1.736 -3.643 1.00 0.00 C ATOM 866 OG1 THR A 379 87.913 1.909 -3.256 1.00 0.00 O ATOM 867 CG2 THR A 379 86.485 0.808 -4.858 1.00 0.00 C ATOM 0 H THR A 379 87.609 3.619 -5.188 1.00 0.00 H new ATOM 0 HA THR A 379 84.887 2.985 -4.192 1.00 0.00 H new ATOM 0 HB THR A 379 85.997 1.295 -2.819 1.00 0.00 H new ATOM 0 HG1 THR A 379 88.301 1.039 -3.025 1.00 0.00 H new ATOM 0 HG21 THR A 379 86.915 -0.160 -4.602 1.00 0.00 H new ATOM 0 HG22 THR A 379 85.444 0.676 -5.154 1.00 0.00 H new ATOM 0 HG23 THR A 379 87.045 1.246 -5.684 1.00 0.00 H new ATOM 875 N ARG A 380 85.253 3.985 -1.859 1.00 0.00 N ATOM 876 CA ARG A 380 85.336 4.850 -0.689 1.00 0.00 C ATOM 877 C ARG A 380 84.355 4.386 0.384 1.00 0.00 C ATOM 878 O ARG A 380 83.193 4.791 0.393 1.00 0.00 O ATOM 879 CB ARG A 380 85.021 6.296 -1.079 1.00 0.00 C ATOM 880 CG ARG A 380 85.391 7.224 0.082 1.00 0.00 C ATOM 881 CD ARG A 380 85.194 8.682 -0.338 1.00 0.00 C ATOM 882 NE ARG A 380 86.289 9.115 -1.199 1.00 0.00 N ATOM 883 CZ ARG A 380 87.518 9.281 -0.722 1.00 0.00 C ATOM 884 NH1 ARG A 380 87.766 9.054 0.539 1.00 0.00 N ATOM 885 NH2 ARG A 380 88.478 9.672 -1.514 1.00 0.00 N ATOM 0 H ARG A 380 84.463 3.339 -1.855 1.00 0.00 H new ATOM 0 HA ARG A 380 86.350 4.797 -0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 380 85.578 6.573 -1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 380 83.963 6.398 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 380 84.772 6.999 0.951 1.00 0.00 H new ATOM 0 HG3 ARG A 380 86.427 7.058 0.377 1.00 0.00 H new ATOM 0 HD2 ARG A 380 84.245 8.791 -0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 380 85.144 9.318 0.546 1.00 0.00 H new ATOM 0 HE ARG A 380 86.108 9.294 -2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 380 87.016 8.749 1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 380 88.710 9.182 0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 380 88.285 9.850 -2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 380 89.421 9.799 -1.148 1.00 0.00 H new ATOM 899 N ASN A 381 84.831 3.531 1.285 1.00 0.00 N ATOM 900 CA ASN A 381 83.987 3.015 2.358 1.00 0.00 C ATOM 901 C ASN A 381 82.753 2.323 1.787 1.00 0.00 C ATOM 902 O ASN A 381 81.639 2.837 1.891 1.00 0.00 O ATOM 903 CB ASN A 381 83.556 4.154 3.284 1.00 0.00 C ATOM 904 CG ASN A 381 84.784 4.873 3.831 1.00 0.00 C ATOM 905 OD1 ASN A 381 85.363 5.721 3.152 1.00 0.00 O ATOM 906 ND2 ASN A 381 85.219 4.581 5.027 1.00 0.00 N ATOM 0 H ASN A 381 85.790 3.183 1.294 1.00 0.00 H new ATOM 0 HA ASN A 381 84.565 2.287 2.927 1.00 0.00 H new ATOM 0 HB2 ASN A 381 82.925 4.857 2.740 1.00 0.00 H new ATOM 0 HB3 ASN A 381 82.959 3.759 4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 381 86.041 5.056 5.401 1.00 0.00 H new ATOM 0 HD22 ASN A 381 84.737 3.878 5.587 1.00 0.00 H new ATOM 913 N GLY A 382 82.963 1.149 1.190 1.00 0.00 N ATOM 914 CA GLY A 382 81.868 0.373 0.605 1.00 0.00 C ATOM 915 C GLY A 382 80.809 1.279 -0.022 1.00 0.00 C ATOM 916 O GLY A 382 79.633 0.922 -0.087 1.00 0.00 O ATOM 0 H GLY A 382 83.881 0.714 1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 382 82.264 -0.303 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 382 81.408 -0.246 1.375 1.00 0.00 H new ATOM 920 N GLN A 383 81.237 2.454 -0.480 1.00 0.00 N ATOM 921 CA GLN A 383 80.326 3.418 -1.099 1.00 0.00 C ATOM 922 C GLN A 383 81.001 4.089 -2.300 1.00 0.00 C ATOM 923 O GLN A 383 81.659 5.117 -2.143 1.00 0.00 O ATOM 924 CB GLN A 383 79.943 4.492 -0.076 1.00 0.00 C ATOM 925 CG GLN A 383 78.963 3.909 0.946 1.00 0.00 C ATOM 926 CD GLN A 383 77.607 3.667 0.291 1.00 0.00 C ATOM 927 OE1 GLN A 383 76.831 4.604 0.106 1.00 0.00 O ATOM 928 NE2 GLN A 383 77.274 2.459 -0.072 1.00 0.00 N ATOM 0 H GLN A 383 82.208 2.762 -0.435 1.00 0.00 H new ATOM 0 HA GLN A 383 79.434 2.891 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 383 80.835 4.859 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 383 79.490 5.345 -0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 383 79.355 2.974 1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 383 78.853 4.593 1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 383 77.919 1.684 0.082 1.00 0.00 H new ATOM 0 HE22 GLN A 383 76.369 2.289 -0.510 1.00 0.00 H new ATOM 937 N PRO A 384 80.865 3.539 -3.487 1.00 0.00 N ATOM 938 CA PRO A 384 81.495 4.124 -4.707 1.00 0.00 C ATOM 939 C PRO A 384 81.334 5.641 -4.765 1.00 0.00 C ATOM 940 O PRO A 384 80.318 6.187 -4.334 1.00 0.00 O ATOM 941 CB PRO A 384 80.755 3.429 -5.852 1.00 0.00 C ATOM 942 CG PRO A 384 80.389 2.090 -5.299 1.00 0.00 C ATOM 943 CD PRO A 384 80.104 2.314 -3.809 1.00 0.00 C ATOM 0 HA PRO A 384 82.573 3.967 -4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 384 79.870 3.990 -6.152 1.00 0.00 H new ATOM 0 HB3 PRO A 384 81.387 3.335 -6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 384 79.515 1.683 -5.807 1.00 0.00 H new ATOM 0 HG3 PRO A 384 81.200 1.375 -5.438 1.00 0.00 H new ATOM 0 HD2 PRO A 384 79.038 2.443 -3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 384 80.434 1.468 -3.207 1.00 0.00 H new ATOM 951 N TRP A 385 82.350 6.315 -5.294 1.00 0.00 N ATOM 952 CA TRP A 385 82.325 7.769 -5.401 1.00 0.00 C ATOM 953 C TRP A 385 83.311 8.227 -6.476 1.00 0.00 C ATOM 954 O TRP A 385 84.195 7.474 -6.881 1.00 0.00 O ATOM 955 CB TRP A 385 82.667 8.380 -4.019 1.00 0.00 C ATOM 956 CG TRP A 385 83.422 9.674 -4.154 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.762 9.800 -4.015 1.00 0.00 C ATOM 958 CD2 TRP A 385 82.914 11.009 -4.448 1.00 0.00 C ATOM 959 NE1 TRP A 385 85.109 11.126 -4.199 1.00 0.00 N ATOM 960 CE2 TRP A 385 84.006 11.911 -4.471 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.628 11.522 -4.695 1.00 0.00 C ATOM 962 CZ2 TRP A 385 83.827 13.272 -4.728 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.445 12.891 -4.954 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.545 13.762 -4.970 1.00 0.00 C ATOM 0 H TRP A 385 83.199 5.879 -5.654 1.00 0.00 H new ATOM 0 HA TRP A 385 81.333 8.110 -5.696 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.747 8.552 -3.460 1.00 0.00 H new ATOM 0 HB3 TRP A 385 83.262 7.670 -3.444 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.449 8.996 -3.796 1.00 0.00 H new ATOM 0 HE1 TRP A 385 86.063 11.481 -4.141 1.00 0.00 H new ATOM 0 HE3 TRP A 385 80.775 10.859 -4.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.676 13.940 -4.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.453 13.275 -5.142 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.398 14.813 -5.170 1.00 0.00 H new ATOM 975 N TYR A 386 83.150 9.468 -6.933 1.00 0.00 N ATOM 976 CA TYR A 386 84.027 10.030 -7.960 1.00 0.00 C ATOM 977 C TYR A 386 84.941 11.092 -7.358 1.00 0.00 C ATOM 978 O TYR A 386 84.573 12.263 -7.270 1.00 0.00 O ATOM 979 CB TYR A 386 83.185 10.656 -9.073 1.00 0.00 C ATOM 980 CG TYR A 386 82.216 9.629 -9.609 1.00 0.00 C ATOM 981 CD1 TYR A 386 81.066 9.305 -8.878 1.00 0.00 C ATOM 982 CD2 TYR A 386 82.465 9.000 -10.835 1.00 0.00 C ATOM 983 CE1 TYR A 386 80.166 8.353 -9.372 1.00 0.00 C ATOM 984 CE2 TYR A 386 81.565 8.048 -11.329 1.00 0.00 C ATOM 985 CZ TYR A 386 80.416 7.725 -10.599 1.00 0.00 C ATOM 986 OH TYR A 386 79.528 6.787 -11.086 1.00 0.00 O ATOM 0 H TYR A 386 82.421 10.103 -6.609 1.00 0.00 H new ATOM 0 HA TYR A 386 84.640 9.227 -8.371 1.00 0.00 H new ATOM 0 HB2 TYR A 386 82.641 11.520 -8.690 1.00 0.00 H new ATOM 0 HB3 TYR A 386 83.831 11.015 -9.874 1.00 0.00 H new ATOM 0 HD1 TYR A 386 80.873 9.790 -7.932 1.00 0.00 H new ATOM 0 HD2 TYR A 386 83.351 9.249 -11.400 1.00 0.00 H new ATOM 0 HE1 TYR A 386 79.280 8.103 -8.808 1.00 0.00 H new ATOM 0 HE2 TYR A 386 81.758 7.563 -12.274 1.00 0.00 H new ATOM 0 HH TYR A 386 79.849 6.449 -11.948 1.00 0.00 H new ATOM 996 N VAL A 387 86.140 10.678 -6.952 1.00 0.00 N ATOM 997 CA VAL A 387 87.108 11.600 -6.369 1.00 0.00 C ATOM 998 C VAL A 387 87.983 12.183 -7.470 1.00 0.00 C ATOM 999 O VAL A 387 88.169 11.561 -8.515 1.00 0.00 O ATOM 1000 CB VAL A 387 87.977 10.867 -5.340 1.00 0.00 C ATOM 1001 CG1 VAL A 387 88.901 9.876 -6.053 1.00 0.00 C ATOM 1002 CG2 VAL A 387 88.820 11.883 -4.566 1.00 0.00 C ATOM 0 H VAL A 387 86.462 9.712 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 387 86.577 12.409 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 387 87.333 10.325 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 387 89.516 9.358 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 387 88.301 9.149 -6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 387 89.544 10.414 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.438 11.362 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 387 89.461 12.428 -5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 387 88.163 12.584 -4.052 1.00 0.00 H new ATOM 1012 N LEU A 388 88.517 13.380 -7.235 1.00 0.00 N ATOM 1013 CA LEU A 388 89.370 14.045 -8.222 1.00 0.00 C ATOM 1014 C LEU A 388 90.776 14.241 -7.671 1.00 0.00 C ATOM 1015 O LEU A 388 90.961 14.825 -6.605 1.00 0.00 O ATOM 1016 CB LEU A 388 88.777 15.407 -8.576 1.00 0.00 C ATOM 1017 CG LEU A 388 87.302 15.254 -8.963 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.733 16.625 -9.344 1.00 0.00 C ATOM 1019 CD2 LEU A 388 87.171 14.293 -10.155 1.00 0.00 C ATOM 0 H LEU A 388 88.376 13.909 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 388 89.423 13.418 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.870 16.085 -7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.333 15.851 -9.401 1.00 0.00 H new ATOM 0 HG LEU A 388 86.747 14.849 -8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 388 85.684 16.520 -9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 388 86.819 17.303 -8.495 1.00 0.00 H new ATOM 0 HD13 LEU A 388 87.291 17.029 -10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 388 86.120 14.189 -10.425 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.726 14.690 -11.005 1.00 0.00 H new ATOM 0 HD23 LEU A 388 87.574 13.318 -9.882 1.00 0.00 H new ATOM 1031 N VAL A 389 91.767 13.748 -8.412 1.00 0.00 N ATOM 1032 CA VAL A 389 93.167 13.872 -8.006 1.00 0.00 C ATOM 1033 C VAL A 389 93.862 14.956 -8.824 1.00 0.00 C ATOM 1034 O VAL A 389 93.230 15.641 -9.628 1.00 0.00 O ATOM 1035 CB VAL A 389 93.888 12.539 -8.214 1.00 0.00 C ATOM 1036 CG1 VAL A 389 93.416 11.532 -7.164 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.571 12.003 -9.613 1.00 0.00 C ATOM 0 H VAL A 389 91.627 13.259 -9.296 1.00 0.00 H new ATOM 0 HA VAL A 389 93.200 14.145 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 389 94.963 12.688 -8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.930 10.583 -7.313 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.640 11.913 -6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 389 92.341 11.381 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 389 94.084 11.053 -9.763 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.496 11.854 -9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 389 93.908 12.720 -10.362 1.00 0.00 H new ATOM 1047 N SER A 390 95.166 15.106 -8.611 1.00 0.00 N ATOM 1048 CA SER A 390 95.951 16.110 -9.333 1.00 0.00 C ATOM 1049 C SER A 390 97.335 15.567 -9.666 1.00 0.00 C ATOM 1050 O SER A 390 98.212 15.502 -8.805 1.00 0.00 O ATOM 1051 CB SER A 390 96.087 17.374 -8.482 1.00 0.00 C ATOM 1052 OG SER A 390 97.190 18.137 -8.952 1.00 0.00 O ATOM 0 H SER A 390 95.703 14.548 -7.947 1.00 0.00 H new ATOM 0 HA SER A 390 95.435 16.351 -10.262 1.00 0.00 H new ATOM 0 HB2 SER A 390 95.172 17.964 -8.536 1.00 0.00 H new ATOM 0 HB3 SER A 390 96.233 17.108 -7.435 1.00 0.00 H new ATOM 0 HG SER A 390 97.280 18.949 -8.411 1.00 0.00 H new ATOM 1058 N GLY A 391 97.523 15.180 -10.923 1.00 0.00 N ATOM 1059 CA GLY A 391 98.805 14.644 -11.365 1.00 0.00 C ATOM 1060 C GLY A 391 99.349 13.634 -10.362 1.00 0.00 C ATOM 1061 O GLY A 391 98.603 12.816 -9.823 1.00 0.00 O ATOM 0 H GLY A 391 96.809 15.227 -11.650 1.00 0.00 H new ATOM 0 HA2 GLY A 391 98.688 14.168 -12.339 1.00 0.00 H new ATOM 0 HA3 GLY A 391 99.519 15.458 -11.491 1.00 0.00 H new ATOM 1065 N VAL A 392 100.654 13.699 -10.115 1.00 0.00 N ATOM 1066 CA VAL A 392 101.298 12.784 -9.173 1.00 0.00 C ATOM 1067 C VAL A 392 102.540 13.428 -8.565 1.00 0.00 C ATOM 1068 O VAL A 392 103.394 13.953 -9.279 1.00 0.00 O ATOM 1069 CB VAL A 392 101.691 11.486 -9.884 1.00 0.00 C ATOM 1070 CG1 VAL A 392 100.434 10.757 -10.361 1.00 0.00 C ATOM 1071 CG2 VAL A 392 102.579 11.809 -11.088 1.00 0.00 C ATOM 0 H VAL A 392 101.285 14.371 -10.551 1.00 0.00 H new ATOM 0 HA VAL A 392 100.590 12.559 -8.376 1.00 0.00 H new ATOM 0 HB VAL A 392 102.237 10.848 -9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 392 100.718 9.834 -10.866 1.00 0.00 H new ATOM 0 HG12 VAL A 392 99.803 10.522 -9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 392 99.884 11.395 -11.053 1.00 0.00 H new ATOM 0 HG21 VAL A 392 102.858 10.884 -11.593 1.00 0.00 H new ATOM 0 HG22 VAL A 392 102.034 12.450 -11.780 1.00 0.00 H new ATOM 0 HG23 VAL A 392 103.479 12.323 -10.749 1.00 0.00 H new ATOM 1081 N TYR A 393 102.632 13.381 -7.237 1.00 0.00 N ATOM 1082 CA TYR A 393 103.773 13.959 -6.526 1.00 0.00 C ATOM 1083 C TYR A 393 104.827 12.892 -6.246 1.00 0.00 C ATOM 1084 O TYR A 393 104.502 11.781 -5.828 1.00 0.00 O ATOM 1085 CB TYR A 393 103.308 14.572 -5.205 1.00 0.00 C ATOM 1086 CG TYR A 393 102.480 15.804 -5.485 1.00 0.00 C ATOM 1087 CD1 TYR A 393 103.111 17.019 -5.774 1.00 0.00 C ATOM 1088 CD2 TYR A 393 101.082 15.731 -5.455 1.00 0.00 C ATOM 1089 CE1 TYR A 393 102.345 18.162 -6.034 1.00 0.00 C ATOM 1090 CE2 TYR A 393 100.316 16.872 -5.715 1.00 0.00 C ATOM 1091 CZ TYR A 393 100.947 18.089 -6.005 1.00 0.00 C ATOM 1092 OH TYR A 393 100.192 19.215 -6.262 1.00 0.00 O ATOM 0 H TYR A 393 101.933 12.950 -6.632 1.00 0.00 H new ATOM 0 HA TYR A 393 104.212 14.734 -7.154 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.721 13.847 -4.642 1.00 0.00 H new ATOM 0 HB3 TYR A 393 104.169 14.832 -4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 393 104.189 17.075 -5.797 1.00 0.00 H new ATOM 0 HD2 TYR A 393 100.595 14.793 -5.231 1.00 0.00 H new ATOM 0 HE1 TYR A 393 102.832 19.100 -6.257 1.00 0.00 H new ATOM 0 HE2 TYR A 393 99.238 16.815 -5.692 1.00 0.00 H new ATOM 0 HH TYR A 393 99.240 18.991 -6.203 1.00 0.00 H new ATOM 1102 N ALA A 394 106.089 13.236 -6.484 1.00 0.00 N ATOM 1103 CA ALA A 394 107.187 12.299 -6.258 1.00 0.00 C ATOM 1104 C ALA A 394 106.984 11.524 -4.957 1.00 0.00 C ATOM 1105 O ALA A 394 106.820 10.304 -4.971 1.00 0.00 O ATOM 1106 CB ALA A 394 108.514 13.057 -6.198 1.00 0.00 C ATOM 0 H ALA A 394 106.377 14.151 -6.831 1.00 0.00 H new ATOM 0 HA ALA A 394 107.206 11.591 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 394 109.328 12.352 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 394 108.677 13.581 -7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.484 13.779 -5.382 1.00 0.00 H new ATOM 1112 N SER A 395 106.998 12.241 -3.833 1.00 0.00 N ATOM 1113 CA SER A 395 106.816 11.616 -2.520 1.00 0.00 C ATOM 1114 C SER A 395 105.846 12.429 -1.671 1.00 0.00 C ATOM 1115 O SER A 395 105.225 13.376 -2.155 1.00 0.00 O ATOM 1116 CB SER A 395 108.162 11.516 -1.802 1.00 0.00 C ATOM 1117 OG SER A 395 107.967 10.948 -0.515 1.00 0.00 O ATOM 0 H SER A 395 107.133 13.252 -3.804 1.00 0.00 H new ATOM 0 HA SER A 395 106.405 10.617 -2.666 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.852 10.903 -2.382 1.00 0.00 H new ATOM 0 HB3 SER A 395 108.613 12.504 -1.711 1.00 0.00 H new ATOM 0 HG SER A 395 108.829 10.881 -0.053 1.00 0.00 H new ATOM 1123 N LYS A 396 105.717 12.053 -0.403 1.00 0.00 N ATOM 1124 CA LYS A 396 104.816 12.753 0.505 1.00 0.00 C ATOM 1125 C LYS A 396 105.429 14.072 0.967 1.00 0.00 C ATOM 1126 O LYS A 396 104.713 15.017 1.298 1.00 0.00 O ATOM 1127 CB LYS A 396 104.515 11.877 1.722 1.00 0.00 C ATOM 1128 CG LYS A 396 103.602 12.638 2.689 1.00 0.00 C ATOM 1129 CD LYS A 396 102.980 11.659 3.689 1.00 0.00 C ATOM 1130 CE LYS A 396 104.085 10.860 4.383 1.00 0.00 C ATOM 1131 NZ LYS A 396 103.533 10.210 5.606 1.00 0.00 N ATOM 0 H LYS A 396 106.222 11.272 0.017 1.00 0.00 H new ATOM 0 HA LYS A 396 103.890 12.965 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 396 104.036 10.950 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 396 105.443 11.601 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 396 104.172 13.401 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 396 102.818 13.154 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 396 102.392 12.203 4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 396 102.297 10.983 3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 396 104.484 10.105 3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 396 104.912 11.518 4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 104.283 9.666 6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 103.173 10.939 6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 102.758 9.570 5.339 1.00 0.00 H new ATOM 1145 N GLU A 397 106.757 14.127 0.988 1.00 0.00 N ATOM 1146 CA GLU A 397 107.454 15.336 1.415 1.00 0.00 C ATOM 1147 C GLU A 397 107.032 16.530 0.565 1.00 0.00 C ATOM 1148 O GLU A 397 106.418 17.474 1.063 1.00 0.00 O ATOM 1149 CB GLU A 397 108.965 15.135 1.299 1.00 0.00 C ATOM 1150 CG GLU A 397 109.361 13.825 1.982 1.00 0.00 C ATOM 1151 CD GLU A 397 110.878 13.740 2.108 1.00 0.00 C ATOM 1152 OE1 GLU A 397 111.536 13.677 1.083 1.00 0.00 O ATOM 1153 OE2 GLU A 397 111.361 13.742 3.229 1.00 0.00 O ATOM 0 H GLU A 397 107.368 13.356 0.717 1.00 0.00 H new ATOM 0 HA GLU A 397 107.191 15.535 2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 397 109.260 15.114 0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 397 109.490 15.971 1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 397 108.902 13.767 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 397 108.988 12.978 1.406 1.00 0.00 H new ATOM 1160 N GLU A 398 107.368 16.485 -0.720 1.00 0.00 N ATOM 1161 CA GLU A 398 107.024 17.570 -1.631 1.00 0.00 C ATOM 1162 C GLU A 398 105.512 17.771 -1.687 1.00 0.00 C ATOM 1163 O GLU A 398 105.033 18.867 -1.979 1.00 0.00 O ATOM 1164 CB GLU A 398 107.551 17.257 -3.033 1.00 0.00 C ATOM 1165 CG GLU A 398 107.514 18.524 -3.890 1.00 0.00 C ATOM 1166 CD GLU A 398 108.614 19.484 -3.451 1.00 0.00 C ATOM 1167 OE1 GLU A 398 109.769 19.192 -3.717 1.00 0.00 O ATOM 1168 OE2 GLU A 398 108.286 20.497 -2.856 1.00 0.00 O ATOM 0 H GLU A 398 107.876 15.713 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 398 107.484 18.487 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 398 108.571 16.876 -2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 398 106.946 16.476 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 398 107.644 18.266 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 398 106.541 19.007 -3.798 1.00 0.00 H new ATOM 1175 N ALA A 399 104.764 16.706 -1.410 1.00 0.00 N ATOM 1176 CA ALA A 399 103.306 16.777 -1.436 1.00 0.00 C ATOM 1177 C ALA A 399 102.765 17.318 -0.114 1.00 0.00 C ATOM 1178 O ALA A 399 101.630 17.788 -0.044 1.00 0.00 O ATOM 1179 CB ALA A 399 102.721 15.385 -1.700 1.00 0.00 C ATOM 0 H ALA A 399 105.140 15.790 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 399 103.010 17.455 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.633 15.445 -1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 399 103.080 15.016 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 399 103.034 14.703 -0.909 1.00 0.00 H new ATOM 1185 N LYS A 400 103.583 17.245 0.932 1.00 0.00 N ATOM 1186 CA LYS A 400 103.170 17.728 2.245 1.00 0.00 C ATOM 1187 C LYS A 400 102.809 19.209 2.186 1.00 0.00 C ATOM 1188 O LYS A 400 101.846 19.648 2.815 1.00 0.00 O ATOM 1189 CB LYS A 400 104.299 17.514 3.257 1.00 0.00 C ATOM 1190 CG LYS A 400 103.751 17.672 4.683 1.00 0.00 C ATOM 1191 CD LYS A 400 104.912 17.840 5.690 1.00 0.00 C ATOM 1192 CE LYS A 400 105.223 19.328 5.911 1.00 0.00 C ATOM 1193 NZ LYS A 400 105.086 20.068 4.625 1.00 0.00 N ATOM 0 H LYS A 400 104.527 16.860 0.897 1.00 0.00 H new ATOM 0 HA LYS A 400 102.290 17.166 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 400 104.731 16.521 3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 400 105.099 18.234 3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 400 103.090 18.538 4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 400 103.154 16.800 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 400 104.648 17.373 6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 400 105.800 17.328 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 400 104.544 19.744 6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 400 106.234 19.444 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 105.458 21.033 4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 105.622 19.575 3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 104.082 20.113 4.356 1.00 0.00 H new ATOM 1207 N LYS A 401 103.589 19.977 1.427 1.00 0.00 N ATOM 1208 CA LYS A 401 103.345 21.412 1.289 1.00 0.00 C ATOM 1209 C LYS A 401 102.381 21.684 0.137 1.00 0.00 C ATOM 1210 O LYS A 401 101.538 22.577 0.215 1.00 0.00 O ATOM 1211 CB LYS A 401 104.666 22.142 1.034 1.00 0.00 C ATOM 1212 CG LYS A 401 105.188 21.793 -0.365 1.00 0.00 C ATOM 1213 CD LYS A 401 106.660 22.197 -0.481 1.00 0.00 C ATOM 1214 CE LYS A 401 106.795 23.710 -0.294 1.00 0.00 C ATOM 1215 NZ LYS A 401 108.131 24.153 -0.787 1.00 0.00 N ATOM 0 H LYS A 401 104.392 19.632 0.900 1.00 0.00 H new ATOM 0 HA LYS A 401 102.899 21.777 2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 401 104.520 23.219 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 401 105.401 21.859 1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 401 105.079 20.724 -0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 401 104.598 22.309 -1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 401 107.251 21.674 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 401 107.052 21.905 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 401 106.005 24.227 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 401 106.679 23.969 0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 108.224 25.181 -0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 108.878 23.669 -0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 108.224 23.918 -1.796 1.00 0.00 H new ATOM 1229 N ALA A 402 102.523 20.910 -0.933 1.00 0.00 N ATOM 1230 CA ALA A 402 101.671 21.073 -2.106 1.00 0.00 C ATOM 1231 C ALA A 402 100.211 21.260 -1.700 1.00 0.00 C ATOM 1232 O ALA A 402 99.531 22.147 -2.208 1.00 0.00 O ATOM 1233 CB ALA A 402 101.795 19.848 -3.014 1.00 0.00 C ATOM 0 H ALA A 402 103.217 20.166 -1.013 1.00 0.00 H new ATOM 0 HA ALA A 402 101.999 21.963 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 402 101.156 19.977 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 402 102.831 19.736 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 402 101.487 18.957 -2.467 1.00 0.00 H new ATOM 1239 N VAL A 403 99.738 20.417 -0.790 1.00 0.00 N ATOM 1240 CA VAL A 403 98.353 20.496 -0.331 1.00 0.00 C ATOM 1241 C VAL A 403 97.974 21.929 0.033 1.00 0.00 C ATOM 1242 O VAL A 403 96.801 22.300 -0.013 1.00 0.00 O ATOM 1243 CB VAL A 403 98.157 19.596 0.891 1.00 0.00 C ATOM 1244 CG1 VAL A 403 98.926 20.171 2.084 1.00 0.00 C ATOM 1245 CG2 VAL A 403 96.666 19.520 1.232 1.00 0.00 C ATOM 0 H VAL A 403 100.287 19.675 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 403 97.710 20.162 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 403 98.532 18.597 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 403 98.784 19.528 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 403 99.987 20.224 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 403 98.555 21.171 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 403 96.524 18.879 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 403 96.292 20.520 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 403 96.119 19.107 0.384 1.00 0.00 H new ATOM 1255 N SER A 404 98.969 22.726 0.404 1.00 0.00 N ATOM 1256 CA SER A 404 98.720 24.110 0.787 1.00 0.00 C ATOM 1257 C SER A 404 98.501 24.988 -0.443 1.00 0.00 C ATOM 1258 O SER A 404 98.353 26.205 -0.327 1.00 0.00 O ATOM 1259 CB SER A 404 99.903 24.648 1.593 1.00 0.00 C ATOM 1260 OG SER A 404 99.567 25.922 2.127 1.00 0.00 O ATOM 0 H SER A 404 99.947 22.441 0.448 1.00 0.00 H new ATOM 0 HA SER A 404 97.817 24.136 1.397 1.00 0.00 H new ATOM 0 HB2 SER A 404 100.153 23.958 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.785 24.728 0.957 1.00 0.00 H new ATOM 0 HG SER A 404 99.049 26.427 1.466 1.00 0.00 H new ATOM 1266 N THR A 405 98.486 24.367 -1.619 1.00 0.00 N ATOM 1267 CA THR A 405 98.291 25.103 -2.869 1.00 0.00 C ATOM 1268 C THR A 405 96.807 25.196 -3.218 1.00 0.00 C ATOM 1269 O THR A 405 96.402 26.028 -4.030 1.00 0.00 O ATOM 1270 CB THR A 405 99.056 24.406 -4.005 1.00 0.00 C ATOM 1271 OG1 THR A 405 99.145 25.290 -5.115 1.00 0.00 O ATOM 1272 CG2 THR A 405 98.333 23.117 -4.438 1.00 0.00 C ATOM 0 H THR A 405 98.606 23.361 -1.735 1.00 0.00 H new ATOM 0 HA THR A 405 98.676 26.115 -2.741 1.00 0.00 H new ATOM 0 HB THR A 405 100.052 24.143 -3.650 1.00 0.00 H new ATOM 0 HG1 THR A 405 99.633 24.852 -5.843 1.00 0.00 H new ATOM 0 HG21 THR A 405 98.891 22.640 -5.243 1.00 0.00 H new ATOM 0 HG22 THR A 405 98.265 22.436 -3.590 1.00 0.00 H new ATOM 0 HG23 THR A 405 97.330 23.362 -4.788 1.00 0.00 H new ATOM 1280 N LEU A 406 96.000 24.338 -2.601 1.00 0.00 N ATOM 1281 CA LEU A 406 94.564 24.337 -2.858 1.00 0.00 C ATOM 1282 C LEU A 406 93.910 25.563 -2.210 1.00 0.00 C ATOM 1283 O LEU A 406 94.365 26.024 -1.163 1.00 0.00 O ATOM 1284 CB LEU A 406 93.935 23.060 -2.287 1.00 0.00 C ATOM 1285 CG LEU A 406 94.809 21.850 -2.631 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.170 20.584 -2.058 1.00 0.00 C ATOM 1287 CD2 LEU A 406 94.929 21.716 -4.154 1.00 0.00 C ATOM 0 H LEU A 406 96.312 23.640 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 406 94.400 24.373 -3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 406 93.830 23.148 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 406 92.933 22.924 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 406 95.801 21.986 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 406 94.790 19.721 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 406 94.086 20.677 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.178 20.451 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 406 95.551 20.854 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 406 93.938 21.580 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 406 95.383 22.618 -4.564 1.00 0.00 H new ATOM 1299 N PRO A 407 92.861 26.103 -2.793 1.00 0.00 N ATOM 1300 CA PRO A 407 92.162 27.295 -2.227 1.00 0.00 C ATOM 1301 C PRO A 407 91.334 26.938 -0.993 1.00 0.00 C ATOM 1302 O PRO A 407 91.226 25.769 -0.622 1.00 0.00 O ATOM 1303 CB PRO A 407 91.269 27.764 -3.382 1.00 0.00 C ATOM 1304 CG PRO A 407 90.968 26.520 -4.152 1.00 0.00 C ATOM 1305 CD PRO A 407 92.224 25.648 -4.046 1.00 0.00 C ATOM 0 HA PRO A 407 92.856 28.063 -1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 407 90.357 28.233 -3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.778 28.502 -4.003 1.00 0.00 H new ATOM 0 HG2 PRO A 407 90.099 26.006 -3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.739 26.750 -5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 407 91.973 24.588 -4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 407 92.882 25.788 -4.904 1.00 0.00 H new ATOM 1313 N ALA A 408 90.753 27.954 -0.363 1.00 0.00 N ATOM 1314 CA ALA A 408 89.938 27.737 0.828 1.00 0.00 C ATOM 1315 C ALA A 408 88.825 26.732 0.542 1.00 0.00 C ATOM 1316 O ALA A 408 88.750 25.679 1.176 1.00 0.00 O ATOM 1317 CB ALA A 408 89.326 29.061 1.289 1.00 0.00 C ATOM 0 H ALA A 408 90.830 28.929 -0.654 1.00 0.00 H new ATOM 0 HA ALA A 408 90.578 27.338 1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 408 88.719 28.891 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.122 29.768 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 408 88.700 29.469 0.495 1.00 0.00 H new ATOM 1323 N ASP A 409 87.958 27.073 -0.411 1.00 0.00 N ATOM 1324 CA ASP A 409 86.839 26.205 -0.780 1.00 0.00 C ATOM 1325 C ASP A 409 87.236 24.730 -0.727 1.00 0.00 C ATOM 1326 O ASP A 409 86.493 23.896 -0.212 1.00 0.00 O ATOM 1327 CB ASP A 409 86.356 26.552 -2.189 1.00 0.00 C ATOM 1328 CG ASP A 409 85.057 25.813 -2.492 1.00 0.00 C ATOM 1329 OD1 ASP A 409 85.131 24.647 -2.844 1.00 0.00 O ATOM 1330 OD2 ASP A 409 84.009 26.423 -2.367 1.00 0.00 O ATOM 0 H ASP A 409 88.008 27.943 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 409 86.036 26.369 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 409 86.201 27.627 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 409 87.117 26.281 -2.920 1.00 0.00 H new ATOM 1335 N VAL A 410 88.412 24.417 -1.261 1.00 0.00 N ATOM 1336 CA VAL A 410 88.894 23.039 -1.264 1.00 0.00 C ATOM 1337 C VAL A 410 89.450 22.667 0.108 1.00 0.00 C ATOM 1338 O VAL A 410 89.310 21.529 0.558 1.00 0.00 O ATOM 1339 CB VAL A 410 89.983 22.868 -2.326 1.00 0.00 C ATOM 1340 CG1 VAL A 410 90.560 21.454 -2.247 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.377 23.092 -3.714 1.00 0.00 C ATOM 0 H VAL A 410 89.044 25.091 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 410 88.058 22.379 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 410 90.777 23.593 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.335 21.334 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 410 90.990 21.291 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 410 89.767 20.727 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.150 22.971 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 410 88.583 22.365 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 410 88.966 24.100 -3.773 1.00 0.00 H new ATOM 1351 N GLN A 411 90.084 23.634 0.766 1.00 0.00 N ATOM 1352 CA GLN A 411 90.661 23.397 2.086 1.00 0.00 C ATOM 1353 C GLN A 411 89.565 23.358 3.151 1.00 0.00 C ATOM 1354 O GLN A 411 89.841 23.178 4.337 1.00 0.00 O ATOM 1355 CB GLN A 411 91.670 24.507 2.417 1.00 0.00 C ATOM 1356 CG GLN A 411 92.627 24.038 3.519 1.00 0.00 C ATOM 1357 CD GLN A 411 93.707 25.090 3.750 1.00 0.00 C ATOM 1358 OE1 GLN A 411 93.437 26.288 3.664 1.00 0.00 O ATOM 1359 NE2 GLN A 411 94.921 24.711 4.040 1.00 0.00 N ATOM 0 H GLN A 411 90.211 24.582 0.410 1.00 0.00 H new ATOM 0 HA GLN A 411 91.171 22.434 2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 411 92.235 24.774 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.142 25.404 2.741 1.00 0.00 H new ATOM 0 HG2 GLN A 411 92.075 23.862 4.442 1.00 0.00 H new ATOM 0 HG3 GLN A 411 93.085 23.090 3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 411 95.142 23.718 4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.649 25.408 4.196 1.00 0.00 H new ATOM 1368 N ALA A 412 88.321 23.536 2.718 1.00 0.00 N ATOM 1369 CA ALA A 412 87.191 23.527 3.641 1.00 0.00 C ATOM 1370 C ALA A 412 86.892 22.112 4.133 1.00 0.00 C ATOM 1371 O ALA A 412 86.719 21.887 5.330 1.00 0.00 O ATOM 1372 CB ALA A 412 85.952 24.100 2.950 1.00 0.00 C ATOM 0 H ALA A 412 88.070 23.687 1.741 1.00 0.00 H new ATOM 0 HA ALA A 412 87.452 24.143 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 412 85.111 24.091 3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 412 86.152 25.124 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 412 85.709 23.494 2.078 1.00 0.00 H new ATOM 1378 N LYS A 413 86.820 21.165 3.203 1.00 0.00 N ATOM 1379 CA LYS A 413 86.528 19.779 3.560 1.00 0.00 C ATOM 1380 C LYS A 413 87.760 19.110 4.179 1.00 0.00 C ATOM 1381 O LYS A 413 87.893 17.886 4.147 1.00 0.00 O ATOM 1382 CB LYS A 413 86.059 19.002 2.309 1.00 0.00 C ATOM 1383 CG LYS A 413 86.707 19.594 1.040 1.00 0.00 C ATOM 1384 CD LYS A 413 85.840 20.738 0.475 1.00 0.00 C ATOM 1385 CE LYS A 413 84.738 20.172 -0.432 1.00 0.00 C ATOM 1386 NZ LYS A 413 85.297 19.913 -1.788 1.00 0.00 N ATOM 0 H LYS A 413 86.958 21.328 2.206 1.00 0.00 H new ATOM 0 HA LYS A 413 85.729 19.768 4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 413 86.325 17.949 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 413 84.973 19.050 2.228 1.00 0.00 H new ATOM 0 HG2 LYS A 413 87.704 19.967 1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 413 86.826 18.814 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 413 85.393 21.303 1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 413 86.464 21.432 -0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 413 84.341 19.250 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 413 83.908 20.876 -0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 84.768 19.140 -2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 85.216 20.773 -2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 86.298 19.644 -1.705 1.00 0.00 H new ATOM 1400 N ASN A 414 88.648 19.916 4.749 1.00 0.00 N ATOM 1401 CA ASN A 414 89.856 19.390 5.383 1.00 0.00 C ATOM 1402 C ASN A 414 90.477 18.271 4.547 1.00 0.00 C ATOM 1403 O ASN A 414 90.437 17.102 4.930 1.00 0.00 O ATOM 1404 CB ASN A 414 89.520 18.858 6.777 1.00 0.00 C ATOM 1405 CG ASN A 414 88.677 19.877 7.535 1.00 0.00 C ATOM 1406 OD1 ASN A 414 89.139 20.461 8.514 1.00 0.00 O ATOM 1407 ND2 ASN A 414 87.459 20.125 7.138 1.00 0.00 N ATOM 0 H ASN A 414 88.557 20.931 4.787 1.00 0.00 H new ATOM 0 HA ASN A 414 90.578 20.203 5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 414 88.979 17.915 6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 414 90.438 18.652 7.327 1.00 0.00 H new ATOM 0 HD21 ASN A 414 86.887 20.805 7.640 1.00 0.00 H new ATOM 0 HD22 ASN A 414 87.078 19.639 6.326 1.00 0.00 H new ATOM 1414 N PRO A 415 91.051 18.613 3.424 1.00 0.00 N ATOM 1415 CA PRO A 415 91.704 17.623 2.514 1.00 0.00 C ATOM 1416 C PRO A 415 92.668 16.701 3.261 1.00 0.00 C ATOM 1417 O PRO A 415 93.276 17.097 4.256 1.00 0.00 O ATOM 1418 CB PRO A 415 92.450 18.508 1.505 1.00 0.00 C ATOM 1419 CG PRO A 415 91.680 19.788 1.476 1.00 0.00 C ATOM 1420 CD PRO A 415 91.140 19.984 2.894 1.00 0.00 C ATOM 0 HA PRO A 415 90.984 16.950 2.048 1.00 0.00 H new ATOM 0 HB2 PRO A 415 93.482 18.675 1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 415 92.482 18.043 0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 415 92.318 20.621 1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 415 90.867 19.739 0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 415 91.806 20.603 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 415 90.167 20.475 2.888 1.00 0.00 H new ATOM 1428 N TRP A 416 92.804 15.469 2.773 1.00 0.00 N ATOM 1429 CA TRP A 416 93.698 14.495 3.398 1.00 0.00 C ATOM 1430 C TRP A 416 94.300 13.567 2.347 1.00 0.00 C ATOM 1431 O TRP A 416 93.772 13.439 1.242 1.00 0.00 O ATOM 1432 CB TRP A 416 92.932 13.670 4.434 1.00 0.00 C ATOM 1433 CG TRP A 416 91.643 13.193 3.845 1.00 0.00 C ATOM 1434 CD1 TRP A 416 90.605 13.988 3.495 1.00 0.00 C ATOM 1435 CD2 TRP A 416 91.237 11.829 3.532 1.00 0.00 C ATOM 1436 NE1 TRP A 416 89.589 13.198 2.987 1.00 0.00 N ATOM 1437 CE2 TRP A 416 89.931 11.860 2.990 1.00 0.00 C ATOM 1438 CE3 TRP A 416 91.870 10.580 3.665 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 89.276 10.694 2.594 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 91.214 9.404 3.268 1.00 0.00 C ATOM 1441 CH2 TRP A 416 89.919 9.461 2.733 1.00 0.00 C ATOM 0 H TRP A 416 92.309 15.123 1.951 1.00 0.00 H new ATOM 0 HA TRP A 416 94.505 15.036 3.892 1.00 0.00 H new ATOM 0 HB2 TRP A 416 93.534 12.819 4.753 1.00 0.00 H new ATOM 0 HB3 TRP A 416 92.737 14.273 5.321 1.00 0.00 H new ATOM 0 HD1 TRP A 416 90.575 15.063 3.596 1.00 0.00 H new ATOM 0 HE1 TRP A 416 88.696 13.560 2.651 1.00 0.00 H new ATOM 0 HE3 TRP A 416 92.868 10.525 4.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 88.279 10.744 2.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 91.709 8.450 3.375 1.00 0.00 H new ATOM 0 HH2 TRP A 416 89.419 8.553 2.429 1.00 0.00 H new ATOM 1452 N ALA A 417 95.410 12.927 2.698 1.00 0.00 N ATOM 1453 CA ALA A 417 96.083 12.015 1.778 1.00 0.00 C ATOM 1454 C ALA A 417 95.163 10.861 1.392 1.00 0.00 C ATOM 1455 O ALA A 417 94.146 10.619 2.042 1.00 0.00 O ATOM 1456 CB ALA A 417 97.353 11.463 2.427 1.00 0.00 C ATOM 0 H ALA A 417 95.862 13.021 3.608 1.00 0.00 H new ATOM 0 HA ALA A 417 96.346 12.569 0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 417 97.850 10.783 1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 417 98.024 12.286 2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 417 97.092 10.925 3.338 1.00 0.00 H new ATOM 1462 N LYS A 418 95.531 10.150 0.328 1.00 0.00 N ATOM 1463 CA LYS A 418 94.739 9.019 -0.145 1.00 0.00 C ATOM 1464 C LYS A 418 95.629 8.028 -0.898 1.00 0.00 C ATOM 1465 O LYS A 418 95.712 8.072 -2.125 1.00 0.00 O ATOM 1466 CB LYS A 418 93.634 9.520 -1.083 1.00 0.00 C ATOM 1467 CG LYS A 418 92.589 8.409 -1.318 1.00 0.00 C ATOM 1468 CD LYS A 418 91.519 8.448 -0.219 1.00 0.00 C ATOM 1469 CE LYS A 418 90.451 7.388 -0.505 1.00 0.00 C ATOM 1470 NZ LYS A 418 89.983 7.517 -1.914 1.00 0.00 N ATOM 0 H LYS A 418 96.370 10.337 -0.221 1.00 0.00 H new ATOM 0 HA LYS A 418 94.294 8.518 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.152 10.398 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 418 94.067 9.829 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 418 92.123 8.539 -2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 418 93.078 7.435 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 418 91.976 8.266 0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 418 91.062 9.437 -0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 418 90.859 6.391 -0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 418 89.612 7.509 0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 88.948 7.425 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 90.259 8.447 -2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 90.415 6.769 -2.493 1.00 0.00 H new ATOM 1484 N PRO A 419 96.292 7.143 -0.193 1.00 0.00 N ATOM 1485 CA PRO A 419 97.192 6.129 -0.821 1.00 0.00 C ATOM 1486 C PRO A 419 96.525 5.404 -1.989 1.00 0.00 C ATOM 1487 O PRO A 419 95.513 4.725 -1.816 1.00 0.00 O ATOM 1488 CB PRO A 419 97.506 5.165 0.332 1.00 0.00 C ATOM 1489 CG PRO A 419 97.372 5.994 1.568 1.00 0.00 C ATOM 1490 CD PRO A 419 96.264 7.010 1.275 1.00 0.00 C ATOM 0 HA PRO A 419 98.083 6.582 -1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 419 96.814 4.323 0.343 1.00 0.00 H new ATOM 0 HB3 PRO A 419 98.510 4.751 0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 419 97.116 5.375 2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 419 98.310 6.496 1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 419 95.294 6.658 1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 419 96.455 7.964 1.767 1.00 0.00 H new ATOM 1498 N LEU A 420 97.103 5.552 -3.177 1.00 0.00 N ATOM 1499 CA LEU A 420 96.562 4.905 -4.367 1.00 0.00 C ATOM 1500 C LEU A 420 96.707 3.391 -4.261 1.00 0.00 C ATOM 1501 O LEU A 420 96.045 2.642 -4.980 1.00 0.00 O ATOM 1502 CB LEU A 420 97.303 5.395 -5.614 1.00 0.00 C ATOM 1503 CG LEU A 420 97.226 6.925 -5.706 1.00 0.00 C ATOM 1504 CD1 LEU A 420 98.272 7.424 -6.705 1.00 0.00 C ATOM 1505 CD2 LEU A 420 95.829 7.361 -6.174 1.00 0.00 C ATOM 0 H LEU A 420 97.941 6.111 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 420 95.505 5.160 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 420 98.345 5.077 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 420 96.866 4.947 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 420 97.419 7.350 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 420 98.221 8.511 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 420 99.266 7.128 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 420 98.076 6.989 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 420 95.789 8.449 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 420 95.625 6.935 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 420 95.081 7.009 -5.463 1.00 0.00 H new ATOM 1517 N ARG A 421 97.580 2.950 -3.361 1.00 0.00 N ATOM 1518 CA ARG A 421 97.814 1.522 -3.165 1.00 0.00 C ATOM 1519 C ARG A 421 96.500 0.745 -3.189 1.00 0.00 C ATOM 1520 O ARG A 421 96.427 -0.352 -3.743 1.00 0.00 O ATOM 1521 CB ARG A 421 98.521 1.292 -1.829 1.00 0.00 C ATOM 1522 CG ARG A 421 99.976 1.758 -1.933 1.00 0.00 C ATOM 1523 CD ARG A 421 100.641 1.682 -0.556 1.00 0.00 C ATOM 1524 NE ARG A 421 100.924 0.292 -0.203 1.00 0.00 N ATOM 1525 CZ ARG A 421 100.034 -0.458 0.446 1.00 0.00 C ATOM 1526 NH1 ARG A 421 98.876 0.042 0.783 1.00 0.00 N ATOM 1527 NH2 ARG A 421 100.321 -1.695 0.745 1.00 0.00 N ATOM 0 H ARG A 421 98.135 3.557 -2.758 1.00 0.00 H new ATOM 0 HA ARG A 421 98.443 1.163 -3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 421 98.009 1.838 -1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 421 98.485 0.235 -1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 421 100.518 1.135 -2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 421 100.015 2.780 -2.311 1.00 0.00 H new ATOM 0 HD2 ARG A 421 101.566 2.259 -0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 421 99.989 2.129 0.195 1.00 0.00 H new ATOM 0 HE ARG A 421 101.824 -0.113 -0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 421 98.651 1.009 0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 421 98.197 -0.534 1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 421 101.225 -2.087 0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 421 99.641 -2.271 1.242 1.00 0.00 H new ATOM 1541 N GLN A 422 95.464 1.317 -2.583 1.00 0.00 N ATOM 1542 CA GLN A 422 94.161 0.663 -2.542 1.00 0.00 C ATOM 1543 C GLN A 422 93.441 0.819 -3.875 1.00 0.00 C ATOM 1544 O GLN A 422 93.076 -0.170 -4.511 1.00 0.00 O ATOM 1545 CB GLN A 422 93.307 1.263 -1.424 1.00 0.00 C ATOM 1546 CG GLN A 422 94.039 1.120 -0.088 1.00 0.00 C ATOM 1547 CD GLN A 422 93.196 1.714 1.034 1.00 0.00 C ATOM 1548 OE1 GLN A 422 92.024 1.366 1.183 1.00 0.00 O ATOM 1549 NE2 GLN A 422 93.725 2.595 1.840 1.00 0.00 N ATOM 0 H GLN A 422 95.500 2.224 -2.118 1.00 0.00 H new ATOM 0 HA GLN A 422 94.316 -0.398 -2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 422 93.106 2.314 -1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 422 92.342 0.758 -1.378 1.00 0.00 H new ATOM 0 HG2 GLN A 422 94.240 0.068 0.115 1.00 0.00 H new ATOM 0 HG3 GLN A 422 95.003 1.626 -0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 422 94.696 2.882 1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 422 93.167 2.996 2.594 1.00 0.00 H new ATOM 1558 N VAL A 423 93.230 2.067 -4.291 1.00 0.00 N ATOM 1559 CA VAL A 423 92.544 2.345 -5.551 1.00 0.00 C ATOM 1560 C VAL A 423 92.964 1.353 -6.633 1.00 0.00 C ATOM 1561 O VAL A 423 92.234 1.128 -7.597 1.00 0.00 O ATOM 1562 CB VAL A 423 92.863 3.766 -6.014 1.00 0.00 C ATOM 1563 CG1 VAL A 423 92.081 4.076 -7.290 1.00 0.00 C ATOM 1564 CG2 VAL A 423 92.465 4.759 -4.919 1.00 0.00 C ATOM 0 H VAL A 423 93.523 2.898 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 423 91.472 2.244 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 423 93.931 3.851 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 423 92.309 5.090 -7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 423 92.363 3.369 -8.070 1.00 0.00 H new ATOM 0 HG13 VAL A 423 91.013 3.991 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 423 92.692 5.773 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 423 91.397 4.672 -4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 423 93.023 4.539 -4.009 1.00 0.00 H new ATOM 1574 N GLN A 424 94.143 0.760 -6.463 1.00 0.00 N ATOM 1575 CA GLN A 424 94.640 -0.211 -7.431 1.00 0.00 C ATOM 1576 C GLN A 424 93.575 -1.265 -7.716 1.00 0.00 C ATOM 1577 O GLN A 424 93.701 -2.056 -8.651 1.00 0.00 O ATOM 1578 CB GLN A 424 95.907 -0.888 -6.898 1.00 0.00 C ATOM 1579 CG GLN A 424 97.088 0.083 -6.985 1.00 0.00 C ATOM 1580 CD GLN A 424 98.377 -0.628 -6.587 1.00 0.00 C ATOM 1581 OE1 GLN A 424 99.255 -0.836 -7.424 1.00 0.00 O ATOM 1582 NE2 GLN A 424 98.544 -1.017 -5.353 1.00 0.00 N ATOM 0 H GLN A 424 94.765 0.933 -5.673 1.00 0.00 H new ATOM 0 HA GLN A 424 94.878 0.313 -8.357 1.00 0.00 H new ATOM 0 HB2 GLN A 424 95.756 -1.201 -5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 424 96.120 -1.788 -7.475 1.00 0.00 H new ATOM 0 HG2 GLN A 424 97.176 0.472 -7.999 1.00 0.00 H new ATOM 0 HG3 GLN A 424 96.917 0.937 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 424 97.815 -0.844 -4.661 1.00 0.00 H new ATOM 0 HE22 GLN A 424 99.403 -1.494 -5.081 1.00 0.00 H new