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 396 LYS NZ :NH3+ -168:sc=-0.00921 (180deg=-0.0487) USER MOD Set 1.2: A 400 LYS NZ :NH3+ 177:sc= -1.75 (180deg=-1.87!) USER MOD Set 2.1: A 362 ASN : amide:sc= -0.812 K(o=-0.81,f=-6.7!) USER MOD Set 2.2: A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 357 ASN : amide:sc= -4.77! C(o=-8.4!,f=-7.8!) USER MOD Set 3.2: A 360 ASN : amide:sc= -3.6! C(o=-8.4!,f=-18!) USER MOD Set 4.1: A 351 GLN : amide:sc= -2.96! C(o=-3.9!,f=-5.1!) USER MOD Set 4.2: A 354 SER OG : rot 79:sc= -0.956 USER MOD Set 5.1: A 353 SER OG : rot 180:sc= 0.175! USER MOD Set 5.2: A 413 LYS NZ :NH3+ -126:sc= 0.113 (180deg=-0.495) USER MOD Single : A 345 SER OG : rot 180:sc= 0 USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 HIS : no HD1:sc= -0.0899 X(o=-0.09,f=0) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot 180:sc= 0 USER MOD Single : A 355 SER OG : rot 81:sc= 0.87 USER MOD Single : A 356 SER OG : rot 73:sc= 0.769 USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 367 LYS NZ :NH3+ -152:sc= -0.244 (180deg=-1.45!) USER MOD Single : A 369 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.4!) USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 ASN : amide:sc= -0.619 X(o=-0.62,f=-0.34) USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 378 THR OG1 : rot 180:sc= 0.159! USER MOD Single : A 379 THR OG1 : rot 50:sc= 0.129 USER MOD Single : A 381 ASN : amide:sc= -6.66! C(o=-6.7!,f=-6.4!) USER MOD Single : A 383 GLN : amide:sc= -0.973 K(o=-0.97,f=0) 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 30:sc= 0 USER MOD Single : A 395 SER OG : rot 180:sc= 0.258 USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 THR OG1 : rot -86:sc= 0.3 USER MOD Single : A 411 GLN : amide:sc= -1.85 K(o=-1.8,f=-0.17) USER MOD Single : A 414 ASN : amide:sc= -0.825 X(o=-0.82,f=-0.72) USER MOD Single : A 418 LYS NZ :NH3+ 180:sc= -0.397 (180deg=-0.397) USER MOD Single : A 422 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.15) USER MOD Single : A 424 GLN : amide:sc= -6.03! K(o=-6!,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 102.733 2.106 -5.767 1.00 0.00 N ATOM 322 CA SER A 345 101.869 2.464 -4.648 1.00 0.00 C ATOM 323 C SER A 345 102.555 3.487 -3.748 1.00 0.00 C ATOM 324 O SER A 345 101.898 4.204 -2.994 1.00 0.00 O ATOM 325 CB SER A 345 101.524 1.216 -3.835 1.00 0.00 C ATOM 326 OG SER A 345 102.665 0.813 -3.088 1.00 0.00 O ATOM 0 HA SER A 345 100.954 2.903 -5.045 1.00 0.00 H new ATOM 0 HB2 SER A 345 100.690 1.424 -3.164 1.00 0.00 H new ATOM 0 HB3 SER A 345 101.206 0.412 -4.499 1.00 0.00 H new ATOM 0 HG SER A 345 102.447 0.014 -2.564 1.00 0.00 H new ATOM 332 N SER A 346 103.881 3.548 -3.833 1.00 0.00 N ATOM 333 CA SER A 346 104.645 4.487 -3.021 1.00 0.00 C ATOM 334 C SER A 346 104.256 5.924 -3.354 1.00 0.00 C ATOM 335 O SER A 346 104.617 6.857 -2.638 1.00 0.00 O ATOM 336 CB SER A 346 106.141 4.291 -3.267 1.00 0.00 C ATOM 337 OG SER A 346 106.486 2.936 -3.010 1.00 0.00 O ATOM 0 H SER A 346 104.444 2.963 -4.451 1.00 0.00 H new ATOM 0 HA SER A 346 104.421 4.297 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 346 106.389 4.553 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 346 106.717 4.954 -2.621 1.00 0.00 H new ATOM 0 HG SER A 346 107.444 2.807 -3.169 1.00 0.00 H new ATOM 343 N HIS A 347 103.518 6.094 -4.446 1.00 0.00 N ATOM 344 CA HIS A 347 103.086 7.422 -4.866 1.00 0.00 C ATOM 345 C HIS A 347 101.984 7.941 -3.948 1.00 0.00 C ATOM 346 O HIS A 347 101.076 7.200 -3.571 1.00 0.00 O ATOM 347 CB HIS A 347 102.572 7.374 -6.305 1.00 0.00 C ATOM 348 CG HIS A 347 103.727 7.159 -7.245 1.00 0.00 C ATOM 349 ND1 HIS A 347 103.570 7.158 -8.622 1.00 0.00 N ATOM 350 CD2 HIS A 347 105.063 6.936 -7.020 1.00 0.00 C ATOM 351 CE1 HIS A 347 104.780 6.942 -9.169 1.00 0.00 C ATOM 352 NE2 HIS A 347 105.726 6.799 -8.236 1.00 0.00 N ATOM 0 H HIS A 347 103.208 5.335 -5.052 1.00 0.00 H new ATOM 0 HA HIS A 347 103.940 8.096 -4.808 1.00 0.00 H new ATOM 0 HB2 HIS A 347 101.845 6.570 -6.416 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.058 8.304 -6.550 1.00 0.00 H new ATOM 0 HD2 HIS A 347 105.529 6.876 -6.047 1.00 0.00 H new ATOM 0 HE1 HIS A 347 104.964 6.890 -10.232 1.00 0.00 H new ATOM 0 HE2 HIS A 347 106.720 6.626 -8.383 1.00 0.00 H new ATOM 361 N TYR A 348 102.069 9.223 -3.593 1.00 0.00 N ATOM 362 CA TYR A 348 101.075 9.847 -2.719 1.00 0.00 C ATOM 363 C TYR A 348 100.093 10.680 -3.539 1.00 0.00 C ATOM 364 O TYR A 348 100.399 11.093 -4.658 1.00 0.00 O ATOM 365 CB TYR A 348 101.775 10.746 -1.694 1.00 0.00 C ATOM 366 CG TYR A 348 102.438 9.891 -0.635 1.00 0.00 C ATOM 367 CD1 TYR A 348 103.563 9.126 -0.960 1.00 0.00 C ATOM 368 CD2 TYR A 348 101.925 9.863 0.669 1.00 0.00 C ATOM 369 CE1 TYR A 348 104.178 8.333 0.017 1.00 0.00 C ATOM 370 CE2 TYR A 348 102.539 9.070 1.645 1.00 0.00 C ATOM 371 CZ TYR A 348 103.665 8.306 1.320 1.00 0.00 C ATOM 372 OH TYR A 348 104.271 7.524 2.283 1.00 0.00 O ATOM 0 H TYR A 348 102.815 9.849 -3.897 1.00 0.00 H new ATOM 0 HA TYR A 348 100.526 9.061 -2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 348 102.519 11.369 -2.190 1.00 0.00 H new ATOM 0 HB3 TYR A 348 101.052 11.419 -1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 348 103.958 9.147 -1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 348 101.056 10.453 0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 348 105.047 7.743 -0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 348 102.143 9.048 2.650 1.00 0.00 H new ATOM 0 HH TYR A 348 103.791 7.620 3.132 1.00 0.00 H new ATOM 382 N THR A 349 98.917 10.923 -2.973 1.00 0.00 N ATOM 383 CA THR A 349 97.897 11.710 -3.657 1.00 0.00 C ATOM 384 C THR A 349 96.786 12.100 -2.689 1.00 0.00 C ATOM 385 O THR A 349 95.979 11.264 -2.284 1.00 0.00 O ATOM 386 CB THR A 349 97.308 10.907 -4.821 1.00 0.00 C ATOM 387 OG1 THR A 349 96.022 11.419 -5.143 1.00 0.00 O ATOM 388 CG2 THR A 349 97.187 9.436 -4.423 1.00 0.00 C ATOM 0 H THR A 349 98.647 10.589 -2.048 1.00 0.00 H new ATOM 0 HA THR A 349 98.362 12.617 -4.043 1.00 0.00 H new ATOM 0 HB THR A 349 97.963 10.992 -5.688 1.00 0.00 H new ATOM 0 HG1 THR A 349 95.644 10.908 -5.888 1.00 0.00 H new ATOM 0 HG21 THR A 349 96.768 8.868 -5.253 1.00 0.00 H new ATOM 0 HG22 THR A 349 98.173 9.044 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 349 96.533 9.346 -3.555 1.00 0.00 H new ATOM 396 N LEU A 350 96.749 13.376 -2.322 1.00 0.00 N ATOM 397 CA LEU A 350 95.731 13.865 -1.401 1.00 0.00 C ATOM 398 C LEU A 350 94.347 13.760 -2.034 1.00 0.00 C ATOM 399 O LEU A 350 94.161 13.055 -3.025 1.00 0.00 O ATOM 400 CB LEU A 350 96.018 15.322 -1.026 1.00 0.00 C ATOM 401 CG LEU A 350 97.515 15.503 -0.761 1.00 0.00 C ATOM 402 CD1 LEU A 350 97.772 16.917 -0.237 1.00 0.00 C ATOM 403 CD2 LEU A 350 97.980 14.480 0.281 1.00 0.00 C ATOM 0 H LEU A 350 97.407 14.085 -2.645 1.00 0.00 H new ATOM 0 HA LEU A 350 95.755 13.251 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 350 95.699 15.984 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.446 15.599 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 350 98.068 15.352 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 350 98.838 17.047 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 350 97.444 17.645 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 350 97.218 17.068 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 350 99.046 14.610 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 350 97.428 14.629 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 350 97.798 13.472 -0.092 1.00 0.00 H new ATOM 415 N GLN A 351 93.380 14.470 -1.457 1.00 0.00 N ATOM 416 CA GLN A 351 92.007 14.457 -1.968 1.00 0.00 C ATOM 417 C GLN A 351 91.440 15.872 -1.993 1.00 0.00 C ATOM 418 O GLN A 351 91.568 16.620 -1.024 1.00 0.00 O ATOM 419 CB GLN A 351 91.130 13.572 -1.082 1.00 0.00 C ATOM 420 CG GLN A 351 89.791 13.321 -1.779 1.00 0.00 C ATOM 421 CD GLN A 351 88.810 12.675 -0.807 1.00 0.00 C ATOM 422 OE1 GLN A 351 88.462 13.271 0.213 1.00 0.00 O ATOM 423 NE2 GLN A 351 88.340 11.485 -1.061 1.00 0.00 N ATOM 0 H GLN A 351 93.519 15.061 -0.637 1.00 0.00 H new ATOM 0 HA GLN A 351 92.016 14.059 -2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 351 91.632 12.625 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 351 90.966 14.053 -0.118 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.383 14.261 -2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 351 89.938 12.674 -2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 351 88.629 10.992 -1.906 1.00 0.00 H new ATOM 0 HE22 GLN A 351 87.684 11.047 -0.415 1.00 0.00 H new ATOM 432 N LEU A 352 90.813 16.233 -3.107 1.00 0.00 N ATOM 433 CA LEU A 352 90.229 17.561 -3.244 1.00 0.00 C ATOM 434 C LEU A 352 88.955 17.668 -2.411 1.00 0.00 C ATOM 435 O LEU A 352 88.753 18.648 -1.694 1.00 0.00 O ATOM 436 CB LEU A 352 89.918 17.841 -4.722 1.00 0.00 C ATOM 437 CG LEU A 352 91.204 18.217 -5.466 1.00 0.00 C ATOM 438 CD1 LEU A 352 92.291 17.175 -5.188 1.00 0.00 C ATOM 439 CD2 LEU A 352 90.923 18.268 -6.969 1.00 0.00 C ATOM 0 H LEU A 352 90.697 15.630 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 352 90.943 18.301 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 352 89.467 16.961 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 352 89.192 18.650 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 352 91.546 19.193 -5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 352 93.202 17.449 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 352 92.493 17.137 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 352 91.952 16.196 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 352 91.836 18.535 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 352 90.578 17.291 -7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 352 90.154 19.014 -7.170 1.00 0.00 H new ATOM 451 N SER A 353 88.100 16.655 -2.507 1.00 0.00 N ATOM 452 CA SER A 353 86.852 16.649 -1.751 1.00 0.00 C ATOM 453 C SER A 353 86.282 15.237 -1.670 1.00 0.00 C ATOM 454 O SER A 353 86.977 14.260 -1.949 1.00 0.00 O ATOM 455 CB SER A 353 85.833 17.575 -2.414 1.00 0.00 C ATOM 456 OG SER A 353 84.598 17.494 -1.714 1.00 0.00 O ATOM 0 H SER A 353 88.246 15.834 -3.095 1.00 0.00 H new ATOM 0 HA SER A 353 87.060 17.004 -0.742 1.00 0.00 H new ATOM 0 HB2 SER A 353 86.200 18.601 -2.409 1.00 0.00 H new ATOM 0 HB3 SER A 353 85.692 17.292 -3.457 1.00 0.00 H new ATOM 0 HG SER A 353 83.943 18.088 -2.136 1.00 0.00 H new ATOM 462 N SER A 354 85.013 15.135 -1.282 1.00 0.00 N ATOM 463 CA SER A 354 84.359 13.835 -1.164 1.00 0.00 C ATOM 464 C SER A 354 82.848 13.975 -1.311 1.00 0.00 C ATOM 465 O SER A 354 82.293 15.057 -1.120 1.00 0.00 O ATOM 466 CB SER A 354 84.684 13.209 0.193 1.00 0.00 C ATOM 467 OG SER A 354 86.076 12.936 0.262 1.00 0.00 O ATOM 0 H SER A 354 84.421 15.931 -1.046 1.00 0.00 H new ATOM 0 HA SER A 354 84.730 13.191 -1.962 1.00 0.00 H new ATOM 0 HB2 SER A 354 84.394 13.885 0.997 1.00 0.00 H new ATOM 0 HB3 SER A 354 84.114 12.290 0.328 1.00 0.00 H new ATOM 0 HG SER A 354 86.562 13.763 0.461 1.00 0.00 H new ATOM 473 N SER A 355 82.192 12.870 -1.649 1.00 0.00 N ATOM 474 CA SER A 355 80.741 12.861 -1.820 1.00 0.00 C ATOM 475 C SER A 355 80.297 11.522 -2.408 1.00 0.00 C ATOM 476 O SER A 355 81.092 10.587 -2.507 1.00 0.00 O ATOM 477 CB SER A 355 80.312 14.019 -2.735 1.00 0.00 C ATOM 478 OG SER A 355 80.093 15.181 -1.946 1.00 0.00 O ATOM 0 H SER A 355 82.641 11.968 -1.810 1.00 0.00 H new ATOM 0 HA SER A 355 80.264 12.992 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 355 81.081 14.212 -3.483 1.00 0.00 H new ATOM 0 HB3 SER A 355 79.403 13.754 -3.275 1.00 0.00 H new ATOM 0 HG SER A 355 80.952 15.613 -1.754 1.00 0.00 H new ATOM 484 N SER A 356 79.027 11.434 -2.794 1.00 0.00 N ATOM 485 CA SER A 356 78.488 10.201 -3.370 1.00 0.00 C ATOM 486 C SER A 356 77.460 10.518 -4.451 1.00 0.00 C ATOM 487 O SER A 356 76.350 9.988 -4.441 1.00 0.00 O ATOM 488 CB SER A 356 77.834 9.359 -2.276 1.00 0.00 C ATOM 489 OG SER A 356 76.611 9.968 -1.882 1.00 0.00 O ATOM 0 H SER A 356 78.353 12.196 -2.720 1.00 0.00 H new ATOM 0 HA SER A 356 79.309 9.642 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 356 77.649 8.348 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 356 78.503 9.272 -1.420 1.00 0.00 H new ATOM 0 HG SER A 356 75.943 9.846 -2.588 1.00 0.00 H new ATOM 495 N ASN A 357 77.840 11.386 -5.381 1.00 0.00 N ATOM 496 CA ASN A 357 76.947 11.769 -6.467 1.00 0.00 C ATOM 497 C ASN A 357 77.724 12.488 -7.567 1.00 0.00 C ATOM 498 O ASN A 357 78.322 13.537 -7.334 1.00 0.00 O ATOM 499 CB ASN A 357 75.835 12.677 -5.932 1.00 0.00 C ATOM 500 CG ASN A 357 76.418 13.685 -4.948 1.00 0.00 C ATOM 501 OD1 ASN A 357 77.606 13.999 -5.008 1.00 0.00 O ATOM 502 ND2 ASN A 357 75.646 14.215 -4.038 1.00 0.00 N ATOM 0 H ASN A 357 78.755 11.836 -5.405 1.00 0.00 H new ATOM 0 HA ASN A 357 76.501 10.868 -6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 357 75.351 13.199 -6.757 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.068 12.078 -5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 357 76.028 14.890 -3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 357 74.661 13.954 -3.989 1.00 0.00 H new ATOM 509 N TYR A 358 77.712 11.911 -8.765 1.00 0.00 N ATOM 510 CA TYR A 358 78.420 12.501 -9.894 1.00 0.00 C ATOM 511 C TYR A 358 77.799 13.839 -10.281 1.00 0.00 C ATOM 512 O TYR A 358 78.504 14.829 -10.464 1.00 0.00 O ATOM 513 CB TYR A 358 78.374 11.547 -11.091 1.00 0.00 C ATOM 514 CG TYR A 358 79.038 12.195 -12.283 1.00 0.00 C ATOM 515 CD1 TYR A 358 78.317 13.089 -13.083 1.00 0.00 C ATOM 516 CD2 TYR A 358 80.373 11.902 -12.587 1.00 0.00 C ATOM 517 CE1 TYR A 358 78.931 13.690 -14.189 1.00 0.00 C ATOM 518 CE2 TYR A 358 80.987 12.503 -13.693 1.00 0.00 C ATOM 519 CZ TYR A 358 80.266 13.396 -14.494 1.00 0.00 C ATOM 520 OH TYR A 358 80.871 13.988 -15.584 1.00 0.00 O ATOM 0 H TYR A 358 77.223 11.041 -8.977 1.00 0.00 H new ATOM 0 HA TYR A 358 79.456 12.670 -9.601 1.00 0.00 H new ATOM 0 HB2 TYR A 358 78.879 10.613 -10.844 1.00 0.00 H new ATOM 0 HB3 TYR A 358 77.340 11.297 -11.330 1.00 0.00 H new ATOM 0 HD1 TYR A 358 77.288 13.315 -12.847 1.00 0.00 H new ATOM 0 HD2 TYR A 358 80.929 11.213 -11.969 1.00 0.00 H new ATOM 0 HE1 TYR A 358 78.375 14.380 -14.807 1.00 0.00 H new ATOM 0 HE2 TYR A 358 82.017 12.277 -13.928 1.00 0.00 H new ATOM 0 HH TYR A 358 81.798 13.677 -15.653 1.00 0.00 H new ATOM 530 N ASP A 359 76.476 13.859 -10.409 1.00 0.00 N ATOM 531 CA ASP A 359 75.773 15.081 -10.782 1.00 0.00 C ATOM 532 C ASP A 359 76.217 16.254 -9.911 1.00 0.00 C ATOM 533 O ASP A 359 76.829 17.204 -10.399 1.00 0.00 O ATOM 534 CB ASP A 359 74.263 14.877 -10.635 1.00 0.00 C ATOM 535 CG ASP A 359 73.523 16.145 -11.050 1.00 0.00 C ATOM 536 OD1 ASP A 359 73.812 17.187 -10.484 1.00 0.00 O ATOM 537 OD2 ASP A 359 72.679 16.056 -11.926 1.00 0.00 O ATOM 0 H ASP A 359 75.873 13.050 -10.261 1.00 0.00 H new ATOM 0 HA ASP A 359 76.013 15.310 -11.820 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.939 14.039 -11.252 1.00 0.00 H new ATOM 0 HB3 ASP A 359 74.020 14.626 -9.602 1.00 0.00 H new ATOM 542 N ASN A 360 75.896 16.185 -8.623 1.00 0.00 N ATOM 543 CA ASN A 360 76.259 17.252 -7.695 1.00 0.00 C ATOM 544 C ASN A 360 77.752 17.560 -7.767 1.00 0.00 C ATOM 545 O ASN A 360 78.155 18.723 -7.755 1.00 0.00 O ATOM 546 CB ASN A 360 75.889 16.851 -6.266 1.00 0.00 C ATOM 547 CG ASN A 360 74.469 16.296 -6.230 1.00 0.00 C ATOM 548 OD1 ASN A 360 74.269 15.118 -5.932 1.00 0.00 O ATOM 549 ND2 ASN A 360 73.466 17.079 -6.517 1.00 0.00 N ATOM 0 H ASN A 360 75.389 15.408 -8.200 1.00 0.00 H new ATOM 0 HA ASN A 360 75.707 18.148 -7.980 1.00 0.00 H new ATOM 0 HB2 ASN A 360 76.590 16.103 -5.897 1.00 0.00 H new ATOM 0 HB3 ASN A 360 75.967 17.715 -5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 360 72.513 16.716 -6.495 1.00 0.00 H new ATOM 0 HD22 ASN A 360 73.635 18.054 -6.763 1.00 0.00 H new ATOM 556 N LEU A 361 78.570 16.514 -7.839 1.00 0.00 N ATOM 557 CA LEU A 361 80.016 16.699 -7.910 1.00 0.00 C ATOM 558 C LEU A 361 80.378 17.504 -9.151 1.00 0.00 C ATOM 559 O LEU A 361 81.044 18.535 -9.061 1.00 0.00 O ATOM 560 CB LEU A 361 80.714 15.325 -7.922 1.00 0.00 C ATOM 561 CG LEU A 361 82.244 15.453 -8.124 1.00 0.00 C ATOM 562 CD1 LEU A 361 82.605 15.752 -9.601 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.809 16.557 -7.213 1.00 0.00 C ATOM 0 H LEU A 361 78.262 15.542 -7.850 1.00 0.00 H new ATOM 0 HA LEU A 361 80.355 17.253 -7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 361 80.514 14.809 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 361 80.293 14.712 -8.719 1.00 0.00 H new ATOM 0 HG LEU A 361 82.692 14.496 -7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 361 83.687 15.835 -9.701 1.00 0.00 H new ATOM 0 HD12 LEU A 361 82.242 14.943 -10.235 1.00 0.00 H new ATOM 0 HD13 LEU A 361 82.140 16.689 -9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.885 16.638 -7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.336 17.508 -7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.606 16.308 -6.171 1.00 0.00 H new ATOM 575 N ASN A 362 79.922 17.043 -10.312 1.00 0.00 N ATOM 576 CA ASN A 362 80.198 17.746 -11.562 1.00 0.00 C ATOM 577 C ASN A 362 80.017 19.249 -11.369 1.00 0.00 C ATOM 578 O ASN A 362 80.834 20.050 -11.824 1.00 0.00 O ATOM 579 CB ASN A 362 79.253 17.251 -12.660 1.00 0.00 C ATOM 580 CG ASN A 362 79.745 17.725 -14.024 1.00 0.00 C ATOM 581 OD1 ASN A 362 80.611 18.595 -14.105 1.00 0.00 O ATOM 582 ND2 ASN A 362 79.241 17.199 -15.106 1.00 0.00 N ATOM 0 H ASN A 362 79.365 16.194 -10.414 1.00 0.00 H new ATOM 0 HA ASN A 362 81.228 17.545 -11.857 1.00 0.00 H new ATOM 0 HB2 ASN A 362 79.199 16.162 -12.642 1.00 0.00 H new ATOM 0 HB3 ASN A 362 78.245 17.623 -12.478 1.00 0.00 H new ATOM 0 HD21 ASN A 362 79.565 17.509 -16.022 1.00 0.00 H new ATOM 0 HD22 ASN A 362 78.523 16.478 -15.036 1.00 0.00 H new ATOM 589 N GLY A 363 78.942 19.621 -10.681 1.00 0.00 N ATOM 590 CA GLY A 363 78.659 21.026 -10.421 1.00 0.00 C ATOM 591 C GLY A 363 79.797 21.669 -9.636 1.00 0.00 C ATOM 592 O GLY A 363 80.422 22.621 -10.102 1.00 0.00 O ATOM 0 H GLY A 363 78.256 18.972 -10.296 1.00 0.00 H new ATOM 0 HA2 GLY A 363 78.517 21.554 -11.364 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.728 21.117 -9.862 1.00 0.00 H new ATOM 596 N TRP A 364 80.059 21.148 -8.440 1.00 0.00 N ATOM 597 CA TRP A 364 81.125 21.689 -7.602 1.00 0.00 C ATOM 598 C TRP A 364 82.392 21.914 -8.421 1.00 0.00 C ATOM 599 O TRP A 364 82.803 23.053 -8.644 1.00 0.00 O ATOM 600 CB TRP A 364 81.432 20.735 -6.444 1.00 0.00 C ATOM 601 CG TRP A 364 82.534 21.318 -5.619 1.00 0.00 C ATOM 602 CD1 TRP A 364 82.486 22.526 -5.013 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.844 20.754 -5.309 1.00 0.00 C ATOM 604 NE1 TRP A 364 83.683 22.743 -4.353 1.00 0.00 N ATOM 605 CE2 TRP A 364 84.551 21.681 -4.506 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.484 19.543 -5.642 1.00 0.00 C ATOM 607 CZ2 TRP A 364 85.843 21.420 -4.051 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.786 19.280 -5.184 1.00 0.00 C ATOM 609 CH2 TRP A 364 86.462 20.217 -4.393 1.00 0.00 C ATOM 0 H TRP A 364 79.554 20.361 -8.033 1.00 0.00 H new ATOM 0 HA TRP A 364 80.785 22.644 -7.201 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.542 20.585 -5.833 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.724 19.757 -6.828 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.650 23.210 -5.040 1.00 0.00 H new ATOM 0 HE1 TRP A 364 83.897 23.585 -3.819 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.971 18.814 -6.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 86.361 22.143 -3.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 86.268 18.349 -5.444 1.00 0.00 H new ATOM 0 HH2 TRP A 364 87.464 20.008 -4.047 1.00 0.00 H new ATOM 620 N ALA A 365 83.011 20.822 -8.862 1.00 0.00 N ATOM 621 CA ALA A 365 84.237 20.907 -9.651 1.00 0.00 C ATOM 622 C ALA A 365 84.164 22.061 -10.650 1.00 0.00 C ATOM 623 O ALA A 365 85.126 22.811 -10.818 1.00 0.00 O ATOM 624 CB ALA A 365 84.464 19.595 -10.403 1.00 0.00 C ATOM 0 H ALA A 365 82.685 19.871 -8.687 1.00 0.00 H new ATOM 0 HA ALA A 365 85.068 21.088 -8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 365 85.380 19.666 -10.989 1.00 0.00 H new ATOM 0 HB2 ALA A 365 84.553 18.777 -9.688 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.621 19.406 -11.068 1.00 0.00 H new ATOM 630 N LYS A 366 83.017 22.198 -11.307 1.00 0.00 N ATOM 631 CA LYS A 366 82.830 23.266 -12.284 1.00 0.00 C ATOM 632 C LYS A 366 82.692 24.611 -11.580 1.00 0.00 C ATOM 633 O LYS A 366 83.100 25.645 -12.110 1.00 0.00 O ATOM 634 CB LYS A 366 81.580 22.995 -13.125 1.00 0.00 C ATOM 635 CG LYS A 366 81.861 21.857 -14.110 1.00 0.00 C ATOM 636 CD LYS A 366 80.608 21.579 -14.941 1.00 0.00 C ATOM 637 CE LYS A 366 80.976 20.713 -16.147 1.00 0.00 C ATOM 638 NZ LYS A 366 79.734 20.191 -16.782 1.00 0.00 N ATOM 0 H LYS A 366 82.209 21.589 -11.183 1.00 0.00 H new ATOM 0 HA LYS A 366 83.703 23.296 -12.936 1.00 0.00 H new ATOM 0 HB2 LYS A 366 80.744 22.731 -12.477 1.00 0.00 H new ATOM 0 HB3 LYS A 366 81.292 23.896 -13.667 1.00 0.00 H new ATOM 0 HG2 LYS A 366 82.691 22.124 -14.763 1.00 0.00 H new ATOM 0 HG3 LYS A 366 82.158 20.959 -13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 366 79.860 21.073 -14.331 1.00 0.00 H new ATOM 0 HD3 LYS A 366 80.165 22.517 -15.275 1.00 0.00 H new ATOM 0 HE2 LYS A 366 81.547 21.298 -16.868 1.00 0.00 H new ATOM 0 HE3 LYS A 366 81.612 19.885 -15.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 79.984 19.602 -17.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 79.206 19.618 -16.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 79.143 20.987 -17.095 1.00 0.00 H new ATOM 652 N LYS A 367 82.121 24.590 -10.380 1.00 0.00 N ATOM 653 CA LYS A 367 81.940 25.814 -9.609 1.00 0.00 C ATOM 654 C LYS A 367 83.294 26.411 -9.241 1.00 0.00 C ATOM 655 O LYS A 367 83.557 27.586 -9.497 1.00 0.00 O ATOM 656 CB LYS A 367 81.143 25.516 -8.336 1.00 0.00 C ATOM 657 CG LYS A 367 80.772 26.832 -7.638 1.00 0.00 C ATOM 658 CD LYS A 367 79.738 26.569 -6.525 1.00 0.00 C ATOM 659 CE LYS A 367 78.317 26.586 -7.102 1.00 0.00 C ATOM 660 NZ LYS A 367 78.060 27.901 -7.756 1.00 0.00 N ATOM 0 H LYS A 367 81.778 23.745 -9.923 1.00 0.00 H new ATOM 0 HA LYS A 367 81.390 26.533 -10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 367 80.240 24.957 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 367 81.732 24.891 -7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 367 81.665 27.292 -7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 367 80.365 27.536 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 367 79.936 25.605 -6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 367 79.831 27.327 -5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 367 78.197 25.779 -7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 367 77.589 26.414 -6.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 77.042 28.113 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 78.587 28.646 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 78.371 27.862 -8.748 1.00 0.00 H new ATOM 674 N GLU A 368 84.156 25.590 -8.648 1.00 0.00 N ATOM 675 CA GLU A 368 85.487 26.043 -8.258 1.00 0.00 C ATOM 676 C GLU A 368 86.406 26.070 -9.479 1.00 0.00 C ATOM 677 O GLU A 368 87.440 26.738 -9.477 1.00 0.00 O ATOM 678 CB GLU A 368 86.065 25.115 -7.181 1.00 0.00 C ATOM 679 CG GLU A 368 85.660 23.670 -7.479 1.00 0.00 C ATOM 680 CD GLU A 368 86.506 22.709 -6.652 1.00 0.00 C ATOM 681 OE1 GLU A 368 87.437 23.168 -6.011 1.00 0.00 O ATOM 682 OE2 GLU A 368 86.210 21.525 -6.671 1.00 0.00 O ATOM 0 H GLU A 368 83.958 24.614 -8.428 1.00 0.00 H new ATOM 0 HA GLU A 368 85.413 27.051 -7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 368 87.151 25.201 -7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 368 85.700 25.410 -6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 368 84.604 23.526 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 368 85.789 23.459 -8.541 1.00 0.00 H new ATOM 689 N ASN A 369 86.009 25.346 -10.521 1.00 0.00 N ATOM 690 CA ASN A 369 86.785 25.292 -11.757 1.00 0.00 C ATOM 691 C ASN A 369 88.119 24.577 -11.548 1.00 0.00 C ATOM 692 O ASN A 369 89.181 25.142 -11.809 1.00 0.00 O ATOM 693 CB ASN A 369 87.037 26.712 -12.278 1.00 0.00 C ATOM 694 CG ASN A 369 85.795 27.570 -12.069 1.00 0.00 C ATOM 695 OD1 ASN A 369 84.737 27.281 -12.628 1.00 0.00 O ATOM 696 ND2 ASN A 369 85.861 28.618 -11.292 1.00 0.00 N ATOM 0 H ASN A 369 85.155 24.789 -10.535 1.00 0.00 H new ATOM 0 HA ASN A 369 86.208 24.728 -12.490 1.00 0.00 H new ATOM 0 HB2 ASN A 369 87.887 27.154 -11.758 1.00 0.00 H new ATOM 0 HB3 ASN A 369 87.293 26.680 -13.337 1.00 0.00 H new ATOM 0 HD21 ASN A 369 85.035 29.199 -11.148 1.00 0.00 H new ATOM 0 HD22 ASN A 369 86.739 28.856 -10.830 1.00 0.00 H new ATOM 703 N LEU A 370 88.060 23.328 -11.092 1.00 0.00 N ATOM 704 CA LEU A 370 89.279 22.554 -10.875 1.00 0.00 C ATOM 705 C LEU A 370 90.103 22.516 -12.159 1.00 0.00 C ATOM 706 O LEU A 370 89.644 22.007 -13.182 1.00 0.00 O ATOM 707 CB LEU A 370 88.930 21.121 -10.456 1.00 0.00 C ATOM 708 CG LEU A 370 88.129 21.130 -9.146 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.618 19.713 -8.860 1.00 0.00 C ATOM 710 CD2 LEU A 370 89.018 21.605 -7.980 1.00 0.00 C ATOM 0 H LEU A 370 87.195 22.836 -10.868 1.00 0.00 H new ATOM 0 HA LEU A 370 89.857 23.029 -10.082 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.350 20.636 -11.241 1.00 0.00 H new ATOM 0 HB3 LEU A 370 89.843 20.539 -10.328 1.00 0.00 H new ATOM 0 HG LEU A 370 87.287 21.815 -9.245 1.00 0.00 H new ATOM 0 HD11 LEU A 370 87.048 19.712 -7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 370 86.977 19.385 -9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.465 19.033 -8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 370 88.438 21.607 -7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.868 20.931 -7.873 1.00 0.00 H new ATOM 0 HD23 LEU A 370 89.378 22.613 -8.184 1.00 0.00 H new ATOM 722 N LYS A 371 91.318 23.057 -12.107 1.00 0.00 N ATOM 723 CA LYS A 371 92.191 23.077 -13.281 1.00 0.00 C ATOM 724 C LYS A 371 93.026 21.802 -13.350 1.00 0.00 C ATOM 725 O LYS A 371 93.396 21.235 -12.322 1.00 0.00 O ATOM 726 CB LYS A 371 93.118 24.293 -13.220 1.00 0.00 C ATOM 727 CG LYS A 371 92.320 25.563 -13.522 1.00 0.00 C ATOM 728 CD LYS A 371 93.134 26.792 -13.107 1.00 0.00 C ATOM 729 CE LYS A 371 94.415 26.867 -13.942 1.00 0.00 C ATOM 730 NZ LYS A 371 94.996 28.236 -13.838 1.00 0.00 N ATOM 0 H LYS A 371 91.719 23.484 -11.272 1.00 0.00 H new ATOM 0 HA LYS A 371 91.568 23.138 -14.173 1.00 0.00 H new ATOM 0 HB2 LYS A 371 93.575 24.365 -12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 371 93.929 24.181 -13.940 1.00 0.00 H new ATOM 0 HG2 LYS A 371 92.084 25.612 -14.585 1.00 0.00 H new ATOM 0 HG3 LYS A 371 91.371 25.545 -12.986 1.00 0.00 H new ATOM 0 HD2 LYS A 371 92.543 27.697 -13.248 1.00 0.00 H new ATOM 0 HD3 LYS A 371 93.382 26.735 -12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 371 95.135 26.127 -13.591 1.00 0.00 H new ATOM 0 HE3 LYS A 371 94.197 26.631 -14.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 95.866 28.288 -14.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 94.310 28.932 -14.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 95.218 28.444 -12.844 1.00 0.00 H new ATOM 744 N ASN A 372 93.319 21.358 -14.568 1.00 0.00 N ATOM 745 CA ASN A 372 94.112 20.149 -14.760 1.00 0.00 C ATOM 746 C ASN A 372 93.617 19.033 -13.846 1.00 0.00 C ATOM 747 O ASN A 372 94.141 18.836 -12.750 1.00 0.00 O ATOM 748 CB ASN A 372 95.586 20.438 -14.464 1.00 0.00 C ATOM 749 CG ASN A 372 96.404 19.159 -14.595 1.00 0.00 C ATOM 750 OD1 ASN A 372 96.864 18.824 -15.687 1.00 0.00 O ATOM 751 ND2 ASN A 372 96.617 18.421 -13.540 1.00 0.00 N ATOM 0 H ASN A 372 93.022 21.813 -15.431 1.00 0.00 H new ATOM 0 HA ASN A 372 94.006 19.828 -15.796 1.00 0.00 H new ATOM 0 HB2 ASN A 372 95.963 21.193 -15.154 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.691 20.845 -13.458 1.00 0.00 H new ATOM 0 HD21 ASN A 372 97.166 17.565 -13.619 1.00 0.00 H new ATOM 0 HD22 ASN A 372 96.235 18.701 -12.636 1.00 0.00 H new ATOM 758 N TYR A 373 92.600 18.309 -14.303 1.00 0.00 N ATOM 759 CA TYR A 373 92.036 17.217 -13.518 1.00 0.00 C ATOM 760 C TYR A 373 91.293 16.236 -14.416 1.00 0.00 C ATOM 761 O TYR A 373 91.023 16.527 -15.583 1.00 0.00 O ATOM 762 CB TYR A 373 91.080 17.777 -12.458 1.00 0.00 C ATOM 763 CG TYR A 373 89.835 18.316 -13.129 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.914 19.462 -13.931 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.603 17.669 -12.952 1.00 0.00 C ATOM 766 CE1 TYR A 373 88.763 19.959 -14.556 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.455 18.168 -13.578 1.00 0.00 C ATOM 768 CZ TYR A 373 87.534 19.313 -14.380 1.00 0.00 C ATOM 769 OH TYR A 373 86.402 19.804 -14.996 1.00 0.00 O ATOM 0 H TYR A 373 92.152 18.457 -15.207 1.00 0.00 H new ATOM 0 HA TYR A 373 92.852 16.687 -13.026 1.00 0.00 H new ATOM 0 HB2 TYR A 373 90.812 16.996 -11.747 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.572 18.568 -11.892 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.862 19.962 -14.067 1.00 0.00 H new ATOM 0 HD2 TYR A 373 88.540 16.786 -12.333 1.00 0.00 H new ATOM 0 HE1 TYR A 373 88.824 20.842 -15.175 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.507 17.669 -13.442 1.00 0.00 H new ATOM 0 HH TYR A 373 85.635 19.237 -14.770 1.00 0.00 H new ATOM 779 N VAL A 374 90.967 15.069 -13.865 1.00 0.00 N ATOM 780 CA VAL A 374 90.255 14.038 -14.620 1.00 0.00 C ATOM 781 C VAL A 374 89.232 13.336 -13.730 1.00 0.00 C ATOM 782 O VAL A 374 89.586 12.688 -12.746 1.00 0.00 O ATOM 783 CB VAL A 374 91.260 13.015 -15.172 1.00 0.00 C ATOM 784 CG1 VAL A 374 91.938 13.579 -16.424 1.00 0.00 C ATOM 785 CG2 VAL A 374 92.329 12.720 -14.115 1.00 0.00 C ATOM 0 H VAL A 374 91.183 14.813 -12.902 1.00 0.00 H new ATOM 0 HA VAL A 374 89.727 14.510 -15.449 1.00 0.00 H new ATOM 0 HB VAL A 374 90.729 12.097 -15.425 1.00 0.00 H new ATOM 0 HG11 VAL A 374 92.650 12.850 -16.812 1.00 0.00 H new ATOM 0 HG12 VAL A 374 91.184 13.789 -17.183 1.00 0.00 H new ATOM 0 HG13 VAL A 374 92.463 14.500 -16.170 1.00 0.00 H new ATOM 0 HG21 VAL A 374 93.040 11.994 -14.509 1.00 0.00 H new ATOM 0 HG22 VAL A 374 92.854 13.641 -13.861 1.00 0.00 H new ATOM 0 HG23 VAL A 374 91.855 12.314 -13.221 1.00 0.00 H new ATOM 795 N VAL A 375 87.958 13.468 -14.089 1.00 0.00 N ATOM 796 CA VAL A 375 86.889 12.840 -13.322 1.00 0.00 C ATOM 797 C VAL A 375 86.801 11.357 -13.660 1.00 0.00 C ATOM 798 O VAL A 375 86.727 10.982 -14.830 1.00 0.00 O ATOM 799 CB VAL A 375 85.554 13.519 -13.635 1.00 0.00 C ATOM 800 CG1 VAL A 375 84.468 12.967 -12.709 1.00 0.00 C ATOM 801 CG2 VAL A 375 85.687 15.029 -13.421 1.00 0.00 C ATOM 0 H VAL A 375 87.643 14.000 -14.900 1.00 0.00 H new ATOM 0 HA VAL A 375 87.109 12.950 -12.260 1.00 0.00 H new ATOM 0 HB VAL A 375 85.281 13.320 -14.672 1.00 0.00 H new ATOM 0 HG11 VAL A 375 83.518 13.452 -12.933 1.00 0.00 H new ATOM 0 HG12 VAL A 375 84.372 11.892 -12.861 1.00 0.00 H new ATOM 0 HG13 VAL A 375 84.740 13.164 -11.672 1.00 0.00 H new ATOM 0 HG21 VAL A 375 84.736 15.513 -13.644 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.961 15.227 -12.385 1.00 0.00 H new ATOM 0 HG23 VAL A 375 86.459 15.424 -14.082 1.00 0.00 H new ATOM 811 N TYR A 376 86.821 10.513 -12.630 1.00 0.00 N ATOM 812 CA TYR A 376 86.753 9.066 -12.833 1.00 0.00 C ATOM 813 C TYR A 376 86.018 8.390 -11.678 1.00 0.00 C ATOM 814 O TYR A 376 85.765 9.006 -10.642 1.00 0.00 O ATOM 815 CB TYR A 376 88.173 8.497 -12.958 1.00 0.00 C ATOM 816 CG TYR A 376 88.847 8.475 -11.600 1.00 0.00 C ATOM 817 CD1 TYR A 376 89.128 9.677 -10.934 1.00 0.00 C ATOM 818 CD2 TYR A 376 89.191 7.251 -11.008 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.751 9.652 -9.681 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.814 7.229 -9.756 1.00 0.00 C ATOM 821 CZ TYR A 376 90.094 8.429 -9.091 1.00 0.00 C ATOM 822 OH TYR A 376 90.708 8.407 -7.856 1.00 0.00 O ATOM 0 H TYR A 376 86.883 10.802 -11.654 1.00 0.00 H new ATOM 0 HA TYR A 376 86.200 8.868 -13.751 1.00 0.00 H new ATOM 0 HB2 TYR A 376 88.134 7.488 -13.370 1.00 0.00 H new ATOM 0 HB3 TYR A 376 88.756 9.102 -13.652 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.864 10.621 -11.388 1.00 0.00 H new ATOM 0 HD2 TYR A 376 88.975 6.325 -11.519 1.00 0.00 H new ATOM 0 HE1 TYR A 376 89.968 10.577 -9.168 1.00 0.00 H new ATOM 0 HE2 TYR A 376 90.079 6.286 -9.302 1.00 0.00 H new ATOM 0 HH TYR A 376 90.876 7.479 -7.591 1.00 0.00 H new ATOM 832 N GLU A 377 85.671 7.118 -11.870 1.00 0.00 N ATOM 833 CA GLU A 377 84.956 6.355 -10.847 1.00 0.00 C ATOM 834 C GLU A 377 85.927 5.559 -9.979 1.00 0.00 C ATOM 835 O GLU A 377 87.083 5.349 -10.347 1.00 0.00 O ATOM 836 CB GLU A 377 83.970 5.394 -11.520 1.00 0.00 C ATOM 837 CG GLU A 377 84.736 4.360 -12.362 1.00 0.00 C ATOM 838 CD GLU A 377 85.233 3.217 -11.480 1.00 0.00 C ATOM 839 OE1 GLU A 377 84.410 2.426 -11.051 1.00 0.00 O ATOM 840 OE2 GLU A 377 86.429 3.151 -11.247 1.00 0.00 O ATOM 0 H GLU A 377 85.873 6.595 -12.722 1.00 0.00 H new ATOM 0 HA GLU A 377 84.417 7.056 -10.210 1.00 0.00 H new ATOM 0 HB2 GLU A 377 83.370 4.887 -10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 377 83.280 5.952 -12.153 1.00 0.00 H new ATOM 0 HG2 GLU A 377 84.088 3.968 -13.145 1.00 0.00 H new ATOM 0 HG3 GLU A 377 85.581 4.839 -12.857 1.00 0.00 H new ATOM 847 N THR A 378 85.438 5.117 -8.826 1.00 0.00 N ATOM 848 CA THR A 378 86.247 4.336 -7.896 1.00 0.00 C ATOM 849 C THR A 378 85.359 3.785 -6.785 1.00 0.00 C ATOM 850 O THR A 378 84.135 3.788 -6.906 1.00 0.00 O ATOM 851 CB THR A 378 87.368 5.194 -7.298 1.00 0.00 C ATOM 852 OG1 THR A 378 88.068 4.437 -6.320 1.00 0.00 O ATOM 853 CG2 THR A 378 86.780 6.446 -6.648 1.00 0.00 C ATOM 0 H THR A 378 84.483 5.287 -8.512 1.00 0.00 H new ATOM 0 HA THR A 378 86.704 3.509 -8.439 1.00 0.00 H new ATOM 0 HB THR A 378 88.052 5.494 -8.092 1.00 0.00 H new ATOM 0 HG1 THR A 378 88.787 4.982 -5.937 1.00 0.00 H new ATOM 0 HG21 THR A 378 87.584 7.049 -6.226 1.00 0.00 H new ATOM 0 HG22 THR A 378 86.245 7.028 -7.398 1.00 0.00 H new ATOM 0 HG23 THR A 378 86.091 6.155 -5.855 1.00 0.00 H new ATOM 861 N THR A 379 85.973 3.318 -5.699 1.00 0.00 N ATOM 862 CA THR A 379 85.214 2.773 -4.571 1.00 0.00 C ATOM 863 C THR A 379 85.776 3.288 -3.252 1.00 0.00 C ATOM 864 O THR A 379 86.855 2.881 -2.823 1.00 0.00 O ATOM 865 CB THR A 379 85.277 1.241 -4.587 1.00 0.00 C ATOM 866 OG1 THR A 379 86.602 0.827 -4.889 1.00 0.00 O ATOM 867 CG2 THR A 379 84.317 0.694 -5.646 1.00 0.00 C ATOM 0 H THR A 379 86.985 3.305 -5.575 1.00 0.00 H new ATOM 0 HA THR A 379 84.177 3.096 -4.666 1.00 0.00 H new ATOM 0 HB THR A 379 84.988 0.858 -3.608 1.00 0.00 H new ATOM 0 HG1 THR A 379 87.233 1.296 -4.304 1.00 0.00 H new ATOM 0 HG21 THR A 379 84.366 -0.395 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 379 83.300 1.010 -5.413 1.00 0.00 H new ATOM 0 HG23 THR A 379 84.601 1.076 -6.626 1.00 0.00 H new ATOM 875 N ARG A 380 85.032 4.187 -2.611 1.00 0.00 N ATOM 876 CA ARG A 380 85.448 4.763 -1.333 1.00 0.00 C ATOM 877 C ARG A 380 84.301 4.683 -0.329 1.00 0.00 C ATOM 878 O ARG A 380 83.131 4.745 -0.707 1.00 0.00 O ATOM 879 CB ARG A 380 85.857 6.225 -1.539 1.00 0.00 C ATOM 880 CG ARG A 380 86.717 6.693 -0.365 1.00 0.00 C ATOM 881 CD ARG A 380 86.958 8.200 -0.478 1.00 0.00 C ATOM 882 NE ARG A 380 85.703 8.926 -0.307 1.00 0.00 N ATOM 883 CZ ARG A 380 85.203 9.161 0.901 1.00 0.00 C ATOM 884 NH1 ARG A 380 85.836 8.740 1.961 1.00 0.00 N ATOM 885 NH2 ARG A 380 84.081 9.814 1.026 1.00 0.00 N ATOM 0 H ARG A 380 84.137 4.533 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 380 86.298 4.202 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 380 86.411 6.329 -2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 380 84.969 6.852 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 380 86.221 6.463 0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 380 87.668 6.161 -0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 380 87.676 8.518 0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 380 87.392 8.434 -1.450 1.00 0.00 H new ATOM 0 HE ARG A 380 85.201 9.259 -1.130 1.00 0.00 H new ATOM 0 HH11 ARG A 380 86.714 8.231 1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 380 85.453 8.920 2.889 1.00 0.00 H new ATOM 0 HH21 ARG A 380 83.588 10.144 0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 380 83.697 9.995 1.953 1.00 0.00 H new ATOM 899 N ASN A 381 84.640 4.538 0.947 1.00 0.00 N ATOM 900 CA ASN A 381 83.621 4.444 1.984 1.00 0.00 C ATOM 901 C ASN A 381 82.587 3.386 1.614 1.00 0.00 C ATOM 902 O ASN A 381 81.383 3.635 1.659 1.00 0.00 O ATOM 903 CB ASN A 381 82.929 5.798 2.162 1.00 0.00 C ATOM 904 CG ASN A 381 83.900 6.804 2.769 1.00 0.00 C ATOM 905 OD1 ASN A 381 83.512 7.929 3.085 1.00 0.00 O ATOM 906 ND2 ASN A 381 85.146 6.466 2.951 1.00 0.00 N ATOM 0 H ASN A 381 85.601 4.484 1.285 1.00 0.00 H new ATOM 0 HA ASN A 381 84.102 4.159 2.920 1.00 0.00 H new ATOM 0 HB2 ASN A 381 82.570 6.162 1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 381 82.057 5.688 2.806 1.00 0.00 H new ATOM 0 HD21 ASN A 381 85.802 7.134 3.356 1.00 0.00 H new ATOM 0 HD22 ASN A 381 85.465 5.533 2.688 1.00 0.00 H new ATOM 913 N GLY A 382 83.071 2.200 1.250 1.00 0.00 N ATOM 914 CA GLY A 382 82.189 1.097 0.872 1.00 0.00 C ATOM 915 C GLY A 382 80.996 1.593 0.060 1.00 0.00 C ATOM 916 O GLY A 382 79.874 1.114 0.233 1.00 0.00 O ATOM 0 H GLY A 382 84.066 1.978 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 382 82.748 0.365 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 382 81.835 0.588 1.769 1.00 0.00 H new ATOM 920 N GLN A 383 81.242 2.555 -0.824 1.00 0.00 N ATOM 921 CA GLN A 383 80.177 3.109 -1.655 1.00 0.00 C ATOM 922 C GLN A 383 80.772 3.852 -2.861 1.00 0.00 C ATOM 923 O GLN A 383 81.489 4.836 -2.678 1.00 0.00 O ATOM 924 CB GLN A 383 79.340 4.085 -0.824 1.00 0.00 C ATOM 925 CG GLN A 383 78.034 4.395 -1.558 1.00 0.00 C ATOM 926 CD GLN A 383 77.147 5.278 -0.688 1.00 0.00 C ATOM 927 OE1 GLN A 383 75.927 5.294 -0.858 1.00 0.00 O ATOM 928 NE2 GLN A 383 77.689 6.018 0.240 1.00 0.00 N ATOM 0 H GLN A 383 82.162 2.965 -0.983 1.00 0.00 H new ATOM 0 HA GLN A 383 79.550 2.293 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 383 79.126 3.655 0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 383 79.899 5.005 -0.652 1.00 0.00 H new ATOM 0 HG2 GLN A 383 78.247 4.897 -2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 383 77.514 3.468 -1.800 1.00 0.00 H new ATOM 0 HE21 GLN A 383 78.699 6.003 0.379 1.00 0.00 H new ATOM 0 HE22 GLN A 383 77.102 6.611 0.827 1.00 0.00 H new ATOM 937 N PRO A 384 80.506 3.429 -4.084 1.00 0.00 N ATOM 938 CA PRO A 384 81.056 4.113 -5.290 1.00 0.00 C ATOM 939 C PRO A 384 81.016 5.635 -5.157 1.00 0.00 C ATOM 940 O PRO A 384 79.961 6.220 -4.912 1.00 0.00 O ATOM 941 CB PRO A 384 80.142 3.626 -6.416 1.00 0.00 C ATOM 942 CG PRO A 384 79.734 2.249 -5.998 1.00 0.00 C ATOM 943 CD PRO A 384 79.667 2.270 -4.464 1.00 0.00 C ATOM 0 HA PRO A 384 82.108 3.881 -5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 384 79.276 4.278 -6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 384 80.664 3.612 -7.373 1.00 0.00 H new ATOM 0 HG2 PRO A 384 78.768 1.982 -6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 384 80.453 1.507 -6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 384 78.642 2.386 -4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 384 80.049 1.343 -4.035 1.00 0.00 H new ATOM 951 N TRP A 385 82.177 6.267 -5.316 1.00 0.00 N ATOM 952 CA TRP A 385 82.283 7.723 -5.207 1.00 0.00 C ATOM 953 C TRP A 385 83.238 8.260 -6.276 1.00 0.00 C ATOM 954 O TRP A 385 84.299 7.689 -6.516 1.00 0.00 O ATOM 955 CB TRP A 385 82.781 8.090 -3.788 1.00 0.00 C ATOM 956 CG TRP A 385 83.551 9.382 -3.797 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.807 9.535 -3.320 1.00 0.00 C ATOM 958 CD2 TRP A 385 83.144 10.685 -4.305 1.00 0.00 C ATOM 959 NE1 TRP A 385 85.197 10.851 -3.500 1.00 0.00 N ATOM 960 CE2 TRP A 385 84.206 11.600 -4.104 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.968 11.158 -4.913 1.00 0.00 C ATOM 962 CZ2 TRP A 385 84.104 12.937 -4.494 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.863 12.501 -5.306 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.929 13.387 -5.097 1.00 0.00 C ATOM 0 H TRP A 385 83.058 5.795 -5.521 1.00 0.00 H new ATOM 0 HA TRP A 385 81.306 8.178 -5.368 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.930 8.176 -3.112 1.00 0.00 H new ATOM 0 HB3 TRP A 385 83.413 7.290 -3.404 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.408 8.757 -2.872 1.00 0.00 H new ATOM 0 HE1 TRP A 385 86.105 11.222 -3.221 1.00 0.00 H new ATOM 0 HE3 TRP A 385 81.141 10.484 -5.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.927 13.617 -4.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.955 12.854 -5.772 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.841 14.419 -5.403 1.00 0.00 H new ATOM 975 N TYR A 386 82.855 9.370 -6.901 1.00 0.00 N ATOM 976 CA TYR A 386 83.687 9.991 -7.929 1.00 0.00 C ATOM 977 C TYR A 386 84.659 10.974 -7.284 1.00 0.00 C ATOM 978 O TYR A 386 84.345 12.153 -7.122 1.00 0.00 O ATOM 979 CB TYR A 386 82.806 10.727 -8.940 1.00 0.00 C ATOM 980 CG TYR A 386 81.790 9.767 -9.514 1.00 0.00 C ATOM 981 CD1 TYR A 386 80.621 9.478 -8.801 1.00 0.00 C ATOM 982 CD2 TYR A 386 82.018 9.167 -10.759 1.00 0.00 C ATOM 983 CE1 TYR A 386 79.679 8.589 -9.332 1.00 0.00 C ATOM 984 CE2 TYR A 386 81.077 8.277 -11.289 1.00 0.00 C ATOM 985 CZ TYR A 386 79.907 7.987 -10.576 1.00 0.00 C ATOM 986 OH TYR A 386 78.979 7.110 -11.099 1.00 0.00 O ATOM 0 H TYR A 386 81.978 9.857 -6.715 1.00 0.00 H new ATOM 0 HA TYR A 386 84.251 9.214 -8.445 1.00 0.00 H new ATOM 0 HB2 TYR A 386 82.300 11.563 -8.457 1.00 0.00 H new ATOM 0 HB3 TYR A 386 83.420 11.144 -9.738 1.00 0.00 H new ATOM 0 HD1 TYR A 386 80.446 9.941 -7.841 1.00 0.00 H new ATOM 0 HD2 TYR A 386 82.920 9.391 -11.310 1.00 0.00 H new ATOM 0 HE1 TYR A 386 78.776 8.367 -8.782 1.00 0.00 H new ATOM 0 HE2 TYR A 386 81.253 7.814 -12.248 1.00 0.00 H new ATOM 0 HH TYR A 386 79.291 6.784 -11.969 1.00 0.00 H new ATOM 996 N VAL A 387 85.836 10.479 -6.910 1.00 0.00 N ATOM 997 CA VAL A 387 86.848 11.317 -6.273 1.00 0.00 C ATOM 998 C VAL A 387 87.729 11.981 -7.324 1.00 0.00 C ATOM 999 O VAL A 387 87.913 11.452 -8.420 1.00 0.00 O ATOM 1000 CB VAL A 387 87.711 10.466 -5.338 1.00 0.00 C ATOM 1001 CG1 VAL A 387 88.598 9.523 -6.159 1.00 0.00 C ATOM 1002 CG2 VAL A 387 88.592 11.383 -4.485 1.00 0.00 C ATOM 0 H VAL A 387 86.112 9.505 -7.036 1.00 0.00 H new ATOM 0 HA VAL A 387 86.346 12.094 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 387 87.063 9.874 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 387 89.209 8.921 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 387 87.971 8.868 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 387 89.246 10.109 -6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.207 10.779 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 387 89.235 11.977 -5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 387 87.961 12.047 -3.894 1.00 0.00 H new ATOM 1012 N LEU A 388 88.266 13.147 -6.978 1.00 0.00 N ATOM 1013 CA LEU A 388 89.130 13.897 -7.890 1.00 0.00 C ATOM 1014 C LEU A 388 90.519 14.077 -7.286 1.00 0.00 C ATOM 1015 O LEU A 388 90.659 14.345 -6.093 1.00 0.00 O ATOM 1016 CB LEU A 388 88.514 15.269 -8.169 1.00 0.00 C ATOM 1017 CG LEU A 388 87.037 15.114 -8.545 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.414 16.501 -8.730 1.00 0.00 C ATOM 1019 CD2 LEU A 388 86.913 14.320 -9.853 1.00 0.00 C ATOM 0 H LEU A 388 88.119 13.595 -6.073 1.00 0.00 H new ATOM 0 HA LEU A 388 89.222 13.338 -8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.609 15.905 -7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.054 15.761 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 388 86.516 14.579 -7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 388 85.363 16.395 -8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 388 86.497 17.064 -7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 388 86.939 17.033 -9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 388 85.860 14.213 -10.115 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.434 14.850 -10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 388 87.357 13.333 -9.723 1.00 0.00 H new ATOM 1031 N VAL A 389 91.543 13.923 -8.125 1.00 0.00 N ATOM 1032 CA VAL A 389 92.933 14.067 -7.684 1.00 0.00 C ATOM 1033 C VAL A 389 93.702 14.957 -8.654 1.00 0.00 C ATOM 1034 O VAL A 389 93.409 14.984 -9.850 1.00 0.00 O ATOM 1035 CB VAL A 389 93.602 12.693 -7.613 1.00 0.00 C ATOM 1036 CG1 VAL A 389 92.909 11.842 -6.548 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.485 12.001 -8.973 1.00 0.00 C ATOM 0 H VAL A 389 91.438 13.698 -9.114 1.00 0.00 H new ATOM 0 HA VAL A 389 92.941 14.525 -6.695 1.00 0.00 H new ATOM 0 HB VAL A 389 94.654 12.813 -7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.386 10.863 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 389 92.989 12.335 -5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 389 91.857 11.720 -6.807 1.00 0.00 H new ATOM 0 HG21 VAL A 389 93.961 11.022 -8.925 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.433 11.881 -9.231 1.00 0.00 H new ATOM 0 HG23 VAL A 389 93.978 12.607 -9.733 1.00 0.00 H new ATOM 1047 N SER A 390 94.689 15.687 -8.135 1.00 0.00 N ATOM 1048 CA SER A 390 95.498 16.581 -8.966 1.00 0.00 C ATOM 1049 C SER A 390 96.808 15.905 -9.362 1.00 0.00 C ATOM 1050 O SER A 390 97.739 15.817 -8.562 1.00 0.00 O ATOM 1051 CB SER A 390 95.805 17.866 -8.197 1.00 0.00 C ATOM 1052 OG SER A 390 96.418 18.802 -9.072 1.00 0.00 O ATOM 0 H SER A 390 94.947 15.678 -7.148 1.00 0.00 H new ATOM 0 HA SER A 390 94.934 16.818 -9.868 1.00 0.00 H new ATOM 0 HB2 SER A 390 94.887 18.284 -7.784 1.00 0.00 H new ATOM 0 HB3 SER A 390 96.464 17.651 -7.356 1.00 0.00 H new ATOM 0 HG SER A 390 96.615 19.628 -8.582 1.00 0.00 H new ATOM 1058 N GLY A 391 96.872 15.431 -10.603 1.00 0.00 N ATOM 1059 CA GLY A 391 98.073 14.766 -11.096 1.00 0.00 C ATOM 1060 C GLY A 391 98.626 13.791 -10.063 1.00 0.00 C ATOM 1061 O GLY A 391 97.888 12.982 -9.499 1.00 0.00 O ATOM 0 H GLY A 391 96.112 15.494 -11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 391 97.844 14.232 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 391 98.831 15.511 -11.339 1.00 0.00 H new ATOM 1065 N VAL A 392 99.930 13.877 -9.814 1.00 0.00 N ATOM 1066 CA VAL A 392 100.578 13.002 -8.842 1.00 0.00 C ATOM 1067 C VAL A 392 101.879 13.627 -8.348 1.00 0.00 C ATOM 1068 O VAL A 392 102.466 14.472 -9.024 1.00 0.00 O ATOM 1069 CB VAL A 392 100.871 11.641 -9.475 1.00 0.00 C ATOM 1070 CG1 VAL A 392 101.808 11.826 -10.671 1.00 0.00 C ATOM 1071 CG2 VAL A 392 101.539 10.733 -8.441 1.00 0.00 C ATOM 0 H VAL A 392 100.556 14.541 -10.270 1.00 0.00 H new ATOM 0 HA VAL A 392 99.905 12.868 -7.995 1.00 0.00 H new ATOM 0 HB VAL A 392 99.938 11.187 -9.811 1.00 0.00 H new ATOM 0 HG11 VAL A 392 102.017 10.856 -11.123 1.00 0.00 H new ATOM 0 HG12 VAL A 392 101.334 12.475 -11.408 1.00 0.00 H new ATOM 0 HG13 VAL A 392 102.741 12.279 -10.336 1.00 0.00 H new ATOM 0 HG21 VAL A 392 101.749 9.762 -8.890 1.00 0.00 H new ATOM 0 HG22 VAL A 392 102.472 11.187 -8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 392 100.873 10.602 -7.588 1.00 0.00 H new ATOM 1081 N TYR A 393 102.327 13.210 -7.163 1.00 0.00 N ATOM 1082 CA TYR A 393 103.565 13.733 -6.578 1.00 0.00 C ATOM 1083 C TYR A 393 104.496 12.589 -6.190 1.00 0.00 C ATOM 1084 O TYR A 393 104.049 11.544 -5.718 1.00 0.00 O ATOM 1085 CB TYR A 393 103.241 14.567 -5.337 1.00 0.00 C ATOM 1086 CG TYR A 393 102.168 15.575 -5.674 1.00 0.00 C ATOM 1087 CD1 TYR A 393 102.515 16.793 -6.269 1.00 0.00 C ATOM 1088 CD2 TYR A 393 100.827 15.291 -5.392 1.00 0.00 C ATOM 1089 CE1 TYR A 393 101.521 17.728 -6.582 1.00 0.00 C ATOM 1090 CE2 TYR A 393 99.833 16.225 -5.705 1.00 0.00 C ATOM 1091 CZ TYR A 393 100.180 17.444 -6.300 1.00 0.00 C ATOM 1092 OH TYR A 393 99.199 18.365 -6.608 1.00 0.00 O ATOM 0 H TYR A 393 101.853 12.513 -6.589 1.00 0.00 H new ATOM 0 HA TYR A 393 104.061 14.358 -7.320 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.905 13.919 -4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 393 104.137 15.078 -4.985 1.00 0.00 H new ATOM 0 HD1 TYR A 393 103.550 17.012 -6.487 1.00 0.00 H new ATOM 0 HD2 TYR A 393 100.559 14.351 -4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 393 101.789 18.668 -7.041 1.00 0.00 H new ATOM 0 HE2 TYR A 393 98.798 16.006 -5.488 1.00 0.00 H new ATOM 0 HH TYR A 393 99.476 18.890 -7.388 1.00 0.00 H new ATOM 1102 N ALA A 394 105.795 12.793 -6.394 1.00 0.00 N ATOM 1103 CA ALA A 394 106.783 11.770 -6.064 1.00 0.00 C ATOM 1104 C ALA A 394 106.483 11.150 -4.702 1.00 0.00 C ATOM 1105 O ALA A 394 106.183 9.959 -4.605 1.00 0.00 O ATOM 1106 CB ALA A 394 108.183 12.386 -6.047 1.00 0.00 C ATOM 0 H ALA A 394 106.186 13.651 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 394 106.736 10.989 -6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 394 108.916 11.618 -5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 394 108.410 12.801 -7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.223 13.179 -5.300 1.00 0.00 H new ATOM 1112 N SER A 395 106.564 11.965 -3.651 1.00 0.00 N ATOM 1113 CA SER A 395 106.299 11.496 -2.289 1.00 0.00 C ATOM 1114 C SER A 395 105.375 12.469 -1.565 1.00 0.00 C ATOM 1115 O SER A 395 104.770 13.341 -2.189 1.00 0.00 O ATOM 1116 CB SER A 395 107.614 11.373 -1.517 1.00 0.00 C ATOM 1117 OG SER A 395 108.105 12.672 -1.216 1.00 0.00 O ATOM 0 H SER A 395 106.811 12.953 -3.715 1.00 0.00 H new ATOM 0 HA SER A 395 105.816 10.520 -2.344 1.00 0.00 H new ATOM 0 HB2 SER A 395 107.458 10.809 -0.598 1.00 0.00 H new ATOM 0 HB3 SER A 395 108.346 10.823 -2.108 1.00 0.00 H new ATOM 0 HG SER A 395 108.947 12.597 -0.720 1.00 0.00 H new ATOM 1123 N LYS A 396 105.269 12.315 -0.249 1.00 0.00 N ATOM 1124 CA LYS A 396 104.411 13.192 0.539 1.00 0.00 C ATOM 1125 C LYS A 396 105.040 14.575 0.680 1.00 0.00 C ATOM 1126 O LYS A 396 104.493 15.450 1.350 1.00 0.00 O ATOM 1127 CB LYS A 396 104.178 12.596 1.930 1.00 0.00 C ATOM 1128 CG LYS A 396 105.527 12.222 2.577 1.00 0.00 C ATOM 1129 CD LYS A 396 105.397 12.222 4.113 1.00 0.00 C ATOM 1130 CE LYS A 396 105.637 13.633 4.663 1.00 0.00 C ATOM 1131 NZ LYS A 396 107.099 13.915 4.689 1.00 0.00 N ATOM 0 H LYS A 396 105.760 11.601 0.289 1.00 0.00 H new ATOM 0 HA LYS A 396 103.457 13.287 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 396 103.651 13.314 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 396 103.544 11.712 1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 396 105.844 11.238 2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 396 106.296 12.931 2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 396 104.405 11.875 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 396 106.116 11.527 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 396 105.125 14.368 4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 396 105.222 13.719 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 107.276 14.777 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 107.599 13.114 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 107.444 14.051 3.717 1.00 0.00 H new ATOM 1145 N GLU A 397 106.194 14.761 0.048 1.00 0.00 N ATOM 1146 CA GLU A 397 106.893 16.039 0.114 1.00 0.00 C ATOM 1147 C GLU A 397 106.058 17.151 -0.515 1.00 0.00 C ATOM 1148 O GLU A 397 105.475 17.976 0.187 1.00 0.00 O ATOM 1149 CB GLU A 397 108.237 15.935 -0.611 1.00 0.00 C ATOM 1150 CG GLU A 397 109.090 17.163 -0.289 1.00 0.00 C ATOM 1151 CD GLU A 397 109.556 17.110 1.162 1.00 0.00 C ATOM 1152 OE1 GLU A 397 110.081 16.084 1.558 1.00 0.00 O ATOM 1153 OE2 GLU A 397 109.380 18.100 1.856 1.00 0.00 O ATOM 0 H GLU A 397 106.662 14.049 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 397 107.060 16.282 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 397 108.758 15.028 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 397 108.077 15.863 -1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 397 109.952 17.202 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 397 108.513 18.072 -0.461 1.00 0.00 H new ATOM 1160 N GLU A 398 106.013 17.171 -1.843 1.00 0.00 N ATOM 1161 CA GLU A 398 105.255 18.191 -2.558 1.00 0.00 C ATOM 1162 C GLU A 398 103.760 18.054 -2.286 1.00 0.00 C ATOM 1163 O GLU A 398 102.993 18.994 -2.497 1.00 0.00 O ATOM 1164 CB GLU A 398 105.513 18.073 -4.061 1.00 0.00 C ATOM 1165 CG GLU A 398 106.944 18.519 -4.370 1.00 0.00 C ATOM 1166 CD GLU A 398 107.938 17.603 -3.666 1.00 0.00 C ATOM 1167 OE1 GLU A 398 107.972 16.430 -3.998 1.00 0.00 O ATOM 1168 OE2 GLU A 398 108.653 18.089 -2.805 1.00 0.00 O ATOM 0 H GLU A 398 106.489 16.497 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 398 105.584 19.168 -2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 398 105.363 17.044 -4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 398 104.802 18.688 -4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 398 107.116 18.498 -5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 398 107.091 19.549 -4.044 1.00 0.00 H new ATOM 1175 N ALA A 399 103.349 16.879 -1.821 1.00 0.00 N ATOM 1176 CA ALA A 399 101.939 16.636 -1.532 1.00 0.00 C ATOM 1177 C ALA A 399 101.396 17.677 -0.560 1.00 0.00 C ATOM 1178 O ALA A 399 100.496 18.445 -0.902 1.00 0.00 O ATOM 1179 CB ALA A 399 101.759 15.240 -0.936 1.00 0.00 C ATOM 0 H ALA A 399 103.965 16.087 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 399 101.384 16.708 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 399 100.704 15.068 -0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.113 14.493 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.332 15.162 -0.012 1.00 0.00 H new ATOM 1185 N LYS A 400 101.941 17.703 0.654 1.00 0.00 N ATOM 1186 CA LYS A 400 101.491 18.660 1.658 1.00 0.00 C ATOM 1187 C LYS A 400 101.705 20.091 1.171 1.00 0.00 C ATOM 1188 O LYS A 400 100.946 20.995 1.522 1.00 0.00 O ATOM 1189 CB LYS A 400 102.254 18.445 2.967 1.00 0.00 C ATOM 1190 CG LYS A 400 103.759 18.479 2.693 1.00 0.00 C ATOM 1191 CD LYS A 400 104.521 18.369 4.016 1.00 0.00 C ATOM 1192 CE LYS A 400 105.989 18.042 3.735 1.00 0.00 C ATOM 1193 NZ LYS A 400 106.112 16.611 3.338 1.00 0.00 N ATOM 0 H LYS A 400 102.687 17.079 0.963 1.00 0.00 H new ATOM 0 HA LYS A 400 100.426 18.502 1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 400 101.987 19.219 3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 400 101.976 17.488 3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 400 104.038 17.659 2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 400 104.026 19.405 2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 400 104.446 19.305 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 400 104.078 17.593 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 400 106.370 18.685 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 400 106.592 18.238 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 107.102 16.401 3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 105.811 16.005 4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 105.509 16.427 2.511 1.00 0.00 H new ATOM 1207 N LYS A 401 102.740 20.288 0.361 1.00 0.00 N ATOM 1208 CA LYS A 401 103.042 21.613 -0.166 1.00 0.00 C ATOM 1209 C LYS A 401 101.950 22.068 -1.129 1.00 0.00 C ATOM 1210 O LYS A 401 101.632 23.254 -1.209 1.00 0.00 O ATOM 1211 CB LYS A 401 104.388 21.592 -0.895 1.00 0.00 C ATOM 1212 CG LYS A 401 104.851 23.025 -1.155 1.00 0.00 C ATOM 1213 CD LYS A 401 106.233 23.004 -1.813 1.00 0.00 C ATOM 1214 CE LYS A 401 106.771 24.432 -1.920 1.00 0.00 C ATOM 1215 NZ LYS A 401 107.986 24.441 -2.782 1.00 0.00 N ATOM 0 H LYS A 401 103.379 19.553 0.057 1.00 0.00 H new ATOM 0 HA LYS A 401 103.091 22.312 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 401 105.129 21.062 -0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 401 104.295 21.052 -1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 401 104.137 23.538 -1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 401 104.891 23.581 -0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 401 106.917 22.390 -1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 401 106.169 22.553 -2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 401 106.009 25.089 -2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 401 107.012 24.817 -0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 108.352 25.412 -2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 108.713 23.827 -2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 107.742 24.091 -3.730 1.00 0.00 H new ATOM 1229 N ALA A 402 101.380 21.115 -1.859 1.00 0.00 N ATOM 1230 CA ALA A 402 100.325 21.427 -2.817 1.00 0.00 C ATOM 1231 C ALA A 402 99.153 22.113 -2.120 1.00 0.00 C ATOM 1232 O ALA A 402 98.450 22.922 -2.723 1.00 0.00 O ATOM 1233 CB ALA A 402 99.838 20.144 -3.492 1.00 0.00 C ATOM 0 H ALA A 402 101.628 20.127 -1.807 1.00 0.00 H new ATOM 0 HA ALA A 402 100.732 22.103 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 402 99.050 20.385 -4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 402 100.669 19.670 -4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 402 99.447 19.462 -2.737 1.00 0.00 H new ATOM 1239 N VAL A 403 98.952 21.786 -0.849 1.00 0.00 N ATOM 1240 CA VAL A 403 97.860 22.378 -0.083 1.00 0.00 C ATOM 1241 C VAL A 403 97.843 23.894 -0.252 1.00 0.00 C ATOM 1242 O VAL A 403 96.846 24.468 -0.692 1.00 0.00 O ATOM 1243 CB VAL A 403 98.015 22.030 1.399 1.00 0.00 C ATOM 1244 CG1 VAL A 403 96.915 22.723 2.205 1.00 0.00 C ATOM 1245 CG2 VAL A 403 97.900 20.515 1.580 1.00 0.00 C ATOM 0 H VAL A 403 99.525 21.120 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 403 96.919 21.973 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 403 98.990 22.367 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 403 97.026 22.475 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 403 96.994 23.802 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 403 95.940 22.386 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 403 98.010 20.265 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 403 96.925 20.179 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 403 98.683 20.020 1.006 1.00 0.00 H new ATOM 1255 N SER A 404 98.949 24.537 0.108 1.00 0.00 N ATOM 1256 CA SER A 404 99.051 25.990 -0.002 1.00 0.00 C ATOM 1257 C SER A 404 98.480 26.483 -1.328 1.00 0.00 C ATOM 1258 O SER A 404 97.702 27.436 -1.362 1.00 0.00 O ATOM 1259 CB SER A 404 100.514 26.417 0.114 1.00 0.00 C ATOM 1260 OG SER A 404 100.976 26.163 1.434 1.00 0.00 O ATOM 0 H SER A 404 99.783 24.080 0.476 1.00 0.00 H new ATOM 0 HA SER A 404 98.472 26.433 0.808 1.00 0.00 H new ATOM 0 HB2 SER A 404 101.122 25.871 -0.607 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.615 27.477 -0.121 1.00 0.00 H new ATOM 0 HG SER A 404 101.915 26.435 1.510 1.00 0.00 H new ATOM 1266 N THR A 405 98.875 25.834 -2.419 1.00 0.00 N ATOM 1267 CA THR A 405 98.397 26.227 -3.740 1.00 0.00 C ATOM 1268 C THR A 405 96.873 26.175 -3.802 1.00 0.00 C ATOM 1269 O THR A 405 96.228 27.150 -4.189 1.00 0.00 O ATOM 1270 CB THR A 405 98.985 25.301 -4.808 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.293 24.062 -4.791 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.469 25.066 -4.523 1.00 0.00 C ATOM 0 H THR A 405 99.518 25.042 -2.416 1.00 0.00 H new ATOM 0 HA THR A 405 98.720 27.251 -3.929 1.00 0.00 H new ATOM 0 HB THR A 405 98.877 25.763 -5.789 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.694 23.472 -4.119 1.00 0.00 H new ATOM 0 HG21 THR A 405 100.886 24.407 -5.284 1.00 0.00 H new ATOM 0 HG22 THR A 405 100.998 26.019 -4.539 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.582 24.605 -3.542 1.00 0.00 H new ATOM 1280 N LEU A 406 96.302 25.037 -3.422 1.00 0.00 N ATOM 1281 CA LEU A 406 94.852 24.878 -3.443 1.00 0.00 C ATOM 1282 C LEU A 406 94.191 25.955 -2.576 1.00 0.00 C ATOM 1283 O LEU A 406 94.766 26.381 -1.574 1.00 0.00 O ATOM 1284 CB LEU A 406 94.475 23.490 -2.913 1.00 0.00 C ATOM 1285 CG LEU A 406 95.256 22.408 -3.670 1.00 0.00 C ATOM 1286 CD1 LEU A 406 95.027 21.054 -2.992 1.00 0.00 C ATOM 1287 CD2 LEU A 406 94.778 22.336 -5.129 1.00 0.00 C ATOM 0 H LEU A 406 96.816 24.217 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 406 94.501 24.982 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.692 23.428 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.404 23.326 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 406 96.318 22.655 -3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.580 20.281 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 406 95.374 21.101 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.964 20.815 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 406 95.338 21.565 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 406 93.716 22.093 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 406 94.940 23.299 -5.613 1.00 0.00 H new ATOM 1299 N PRO A 407 93.005 26.406 -2.927 1.00 0.00 N ATOM 1300 CA PRO A 407 92.290 27.454 -2.137 1.00 0.00 C ATOM 1301 C PRO A 407 91.755 26.904 -0.815 1.00 0.00 C ATOM 1302 O PRO A 407 91.971 25.739 -0.482 1.00 0.00 O ATOM 1303 CB PRO A 407 91.148 27.884 -3.068 1.00 0.00 C ATOM 1304 CG PRO A 407 90.867 26.679 -3.905 1.00 0.00 C ATOM 1305 CD PRO A 407 92.215 25.980 -4.100 1.00 0.00 C ATOM 0 HA PRO A 407 92.941 28.280 -1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 407 90.268 28.186 -2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.438 28.735 -3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 407 90.153 26.019 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.431 26.962 -4.863 1.00 0.00 H new ATOM 0 HD2 PRO A 407 92.103 24.896 -4.135 1.00 0.00 H new ATOM 0 HD3 PRO A 407 92.691 26.281 -5.033 1.00 0.00 H new ATOM 1313 N ALA A 408 91.058 27.754 -0.068 1.00 0.00 N ATOM 1314 CA ALA A 408 90.498 27.348 1.215 1.00 0.00 C ATOM 1315 C ALA A 408 89.374 26.334 1.014 1.00 0.00 C ATOM 1316 O ALA A 408 89.315 25.316 1.700 1.00 0.00 O ATOM 1317 CB ALA A 408 89.959 28.570 1.960 1.00 0.00 C ATOM 0 H ALA A 408 90.868 28.722 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 408 91.289 26.884 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 408 89.542 28.258 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.769 29.279 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 408 89.181 29.046 1.363 1.00 0.00 H new ATOM 1323 N ASP A 409 88.483 26.625 0.072 1.00 0.00 N ATOM 1324 CA ASP A 409 87.362 25.735 -0.207 1.00 0.00 C ATOM 1325 C ASP A 409 87.830 24.285 -0.312 1.00 0.00 C ATOM 1326 O ASP A 409 87.179 23.375 0.201 1.00 0.00 O ATOM 1327 CB ASP A 409 86.682 26.147 -1.514 1.00 0.00 C ATOM 1328 CG ASP A 409 86.434 27.653 -1.519 1.00 0.00 C ATOM 1329 OD1 ASP A 409 85.430 28.070 -0.967 1.00 0.00 O ATOM 1330 OD2 ASP A 409 87.253 28.365 -2.076 1.00 0.00 O ATOM 0 H ASP A 409 88.514 27.464 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 409 86.652 25.814 0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 409 87.308 25.870 -2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 409 85.738 25.614 -1.627 1.00 0.00 H new ATOM 1335 N VAL A 410 88.959 24.076 -0.982 1.00 0.00 N ATOM 1336 CA VAL A 410 89.499 22.730 -1.148 1.00 0.00 C ATOM 1337 C VAL A 410 90.186 22.263 0.132 1.00 0.00 C ATOM 1338 O VAL A 410 89.916 21.170 0.630 1.00 0.00 O ATOM 1339 CB VAL A 410 90.498 22.710 -2.307 1.00 0.00 C ATOM 1340 CG1 VAL A 410 91.139 21.324 -2.408 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.768 23.030 -3.612 1.00 0.00 C ATOM 0 H VAL A 410 89.514 24.814 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 410 88.674 22.052 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 410 91.274 23.455 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.850 21.311 -3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.659 21.095 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 410 90.365 20.577 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.478 23.016 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 410 88.992 22.284 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 410 89.312 24.018 -3.541 1.00 0.00 H new ATOM 1351 N GLN A 411 91.079 23.094 0.658 1.00 0.00 N ATOM 1352 CA GLN A 411 91.797 22.748 1.880 1.00 0.00 C ATOM 1353 C GLN A 411 90.815 22.483 3.019 1.00 0.00 C ATOM 1354 O GLN A 411 91.100 21.707 3.932 1.00 0.00 O ATOM 1355 CB GLN A 411 92.745 23.883 2.270 1.00 0.00 C ATOM 1356 CG GLN A 411 93.559 23.471 3.498 1.00 0.00 C ATOM 1357 CD GLN A 411 94.600 24.538 3.816 1.00 0.00 C ATOM 1358 OE1 GLN A 411 94.922 24.764 4.983 1.00 0.00 O ATOM 1359 NE2 GLN A 411 95.148 25.213 2.843 1.00 0.00 N ATOM 0 H GLN A 411 91.322 24.003 0.263 1.00 0.00 H new ATOM 0 HA GLN A 411 92.376 21.843 1.697 1.00 0.00 H new ATOM 0 HB2 GLN A 411 93.412 24.115 1.440 1.00 0.00 H new ATOM 0 HB3 GLN A 411 92.177 24.788 2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 411 92.897 23.331 4.353 1.00 0.00 H new ATOM 0 HG3 GLN A 411 94.050 22.515 3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 411 94.880 25.024 1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.844 25.929 3.048 1.00 0.00 H new ATOM 1368 N ALA A 412 89.658 23.135 2.956 1.00 0.00 N ATOM 1369 CA ALA A 412 88.636 22.968 3.985 1.00 0.00 C ATOM 1370 C ALA A 412 88.275 21.496 4.151 1.00 0.00 C ATOM 1371 O ALA A 412 87.932 21.050 5.247 1.00 0.00 O ATOM 1372 CB ALA A 412 87.384 23.763 3.611 1.00 0.00 C ATOM 0 H ALA A 412 89.405 23.781 2.208 1.00 0.00 H new ATOM 0 HA ALA A 412 89.035 23.340 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 412 86.626 23.633 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 412 87.636 24.820 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 412 86.996 23.403 2.658 1.00 0.00 H new ATOM 1378 N LYS A 413 88.357 20.744 3.059 1.00 0.00 N ATOM 1379 CA LYS A 413 88.040 19.320 3.095 1.00 0.00 C ATOM 1380 C LYS A 413 89.199 18.544 3.705 1.00 0.00 C ATOM 1381 O LYS A 413 89.167 17.317 3.788 1.00 0.00 O ATOM 1382 CB LYS A 413 87.765 18.802 1.678 1.00 0.00 C ATOM 1383 CG LYS A 413 87.006 19.864 0.884 1.00 0.00 C ATOM 1384 CD LYS A 413 85.702 20.214 1.607 1.00 0.00 C ATOM 1385 CE LYS A 413 84.773 20.966 0.652 1.00 0.00 C ATOM 1386 NZ LYS A 413 84.252 20.024 -0.379 1.00 0.00 N ATOM 0 H LYS A 413 88.638 21.093 2.143 1.00 0.00 H new ATOM 0 HA LYS A 413 87.149 19.177 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 413 88.704 18.562 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 413 87.183 17.881 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 413 87.621 20.757 0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 413 86.790 19.497 -0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 413 85.216 19.305 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 413 85.913 20.827 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 413 83.946 21.409 1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 413 85.311 21.784 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 84.449 20.404 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 84.718 19.100 -0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 83.225 19.910 -0.258 1.00 0.00 H new ATOM 1400 N ASN A 414 90.218 19.276 4.129 1.00 0.00 N ATOM 1401 CA ASN A 414 91.392 18.666 4.731 1.00 0.00 C ATOM 1402 C ASN A 414 91.908 17.510 3.879 1.00 0.00 C ATOM 1403 O ASN A 414 91.817 16.347 4.272 1.00 0.00 O ATOM 1404 CB ASN A 414 91.059 18.162 6.137 1.00 0.00 C ATOM 1405 CG ASN A 414 90.766 19.342 7.057 1.00 0.00 C ATOM 1406 OD1 ASN A 414 91.441 19.520 8.073 1.00 0.00 O ATOM 1407 ND2 ASN A 414 89.797 20.164 6.763 1.00 0.00 N ATOM 0 H ASN A 414 90.255 20.293 4.067 1.00 0.00 H new ATOM 0 HA ASN A 414 92.173 19.424 4.792 1.00 0.00 H new ATOM 0 HB2 ASN A 414 90.196 17.497 6.099 1.00 0.00 H new ATOM 0 HB3 ASN A 414 91.893 17.581 6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 414 89.597 20.956 7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 414 89.240 20.015 5.922 1.00 0.00 H new ATOM 1414 N PRO A 415 92.452 17.811 2.730 1.00 0.00 N ATOM 1415 CA PRO A 415 93.006 16.780 1.802 1.00 0.00 C ATOM 1416 C PRO A 415 93.930 15.797 2.526 1.00 0.00 C ATOM 1417 O PRO A 415 95.122 16.057 2.688 1.00 0.00 O ATOM 1418 CB PRO A 415 93.774 17.611 0.763 1.00 0.00 C ATOM 1419 CG PRO A 415 93.086 18.938 0.752 1.00 0.00 C ATOM 1420 CD PRO A 415 92.598 19.172 2.185 1.00 0.00 C ATOM 0 HA PRO A 415 92.230 16.156 1.359 1.00 0.00 H new ATOM 0 HB2 PRO A 415 94.825 17.712 1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.744 17.141 -0.220 1.00 0.00 H new ATOM 0 HG2 PRO A 415 93.768 19.728 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 415 92.252 18.939 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 415 93.313 19.759 2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 415 91.653 19.714 2.203 1.00 0.00 H new ATOM 1428 N TRP A 416 93.370 14.672 2.959 1.00 0.00 N ATOM 1429 CA TRP A 416 94.154 13.662 3.664 1.00 0.00 C ATOM 1430 C TRP A 416 94.965 12.822 2.677 1.00 0.00 C ATOM 1431 O TRP A 416 94.561 12.631 1.531 1.00 0.00 O ATOM 1432 CB TRP A 416 93.229 12.765 4.500 1.00 0.00 C ATOM 1433 CG TRP A 416 92.507 11.781 3.628 1.00 0.00 C ATOM 1434 CD1 TRP A 416 91.982 12.051 2.408 1.00 0.00 C ATOM 1435 CD2 TRP A 416 92.222 10.377 3.893 1.00 0.00 C ATOM 1436 NE1 TRP A 416 91.393 10.901 1.912 1.00 0.00 N ATOM 1437 CE2 TRP A 416 91.515 9.843 2.790 1.00 0.00 C ATOM 1438 CE3 TRP A 416 92.505 9.524 4.976 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 91.104 8.510 2.762 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 92.093 8.182 4.950 1.00 0.00 C ATOM 1441 CH2 TRP A 416 91.394 7.676 3.844 1.00 0.00 C ATOM 0 H TRP A 416 92.385 14.437 2.836 1.00 0.00 H new ATOM 0 HA TRP A 416 94.851 14.168 4.333 1.00 0.00 H new ATOM 0 HB2 TRP A 416 93.813 12.232 5.250 1.00 0.00 H new ATOM 0 HB3 TRP A 416 92.507 13.380 5.036 1.00 0.00 H new ATOM 0 HD1 TRP A 416 92.017 13.006 1.906 1.00 0.00 H new ATOM 0 HE1 TRP A 416 90.925 10.842 1.007 1.00 0.00 H new ATOM 0 HE3 TRP A 416 93.042 9.904 5.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 90.565 8.125 1.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 92.315 7.536 5.786 1.00 0.00 H new ATOM 0 HH2 TRP A 416 91.080 6.643 3.829 1.00 0.00 H new ATOM 1452 N ALA A 417 96.112 12.329 3.134 1.00 0.00 N ATOM 1453 CA ALA A 417 96.976 11.516 2.284 1.00 0.00 C ATOM 1454 C ALA A 417 96.381 10.125 2.084 1.00 0.00 C ATOM 1455 O ALA A 417 96.415 9.289 2.987 1.00 0.00 O ATOM 1456 CB ALA A 417 98.364 11.393 2.914 1.00 0.00 C ATOM 0 H ALA A 417 96.463 12.476 4.080 1.00 0.00 H new ATOM 0 HA ALA A 417 97.059 12.005 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 417 99.002 10.785 2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 417 98.802 12.385 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 417 98.279 10.922 3.893 1.00 0.00 H new ATOM 1462 N LYS A 418 95.831 9.887 0.893 1.00 0.00 N ATOM 1463 CA LYS A 418 95.220 8.595 0.565 1.00 0.00 C ATOM 1464 C LYS A 418 95.988 7.909 -0.568 1.00 0.00 C ATOM 1465 O LYS A 418 95.614 8.027 -1.735 1.00 0.00 O ATOM 1466 CB LYS A 418 93.771 8.814 0.123 1.00 0.00 C ATOM 1467 CG LYS A 418 93.037 7.470 0.076 1.00 0.00 C ATOM 1468 CD LYS A 418 91.741 7.622 -0.724 1.00 0.00 C ATOM 1469 CE LYS A 418 90.917 6.338 -0.612 1.00 0.00 C ATOM 1470 NZ LYS A 418 89.833 6.353 -1.634 1.00 0.00 N ATOM 0 H LYS A 418 95.795 10.571 0.138 1.00 0.00 H new ATOM 0 HA LYS A 418 95.251 7.961 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.268 9.490 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 418 93.748 9.287 -0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 418 93.673 6.713 -0.382 1.00 0.00 H new ATOM 0 HG3 LYS A 418 92.814 7.130 1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 418 91.167 8.469 -0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 418 91.969 7.830 -1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 418 91.557 5.468 -0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 418 90.489 6.254 0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 89.272 5.480 -1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 89.217 7.175 -1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 90.252 6.414 -2.584 1.00 0.00 H new ATOM 1484 N PRO A 419 97.047 7.202 -0.256 1.00 0.00 N ATOM 1485 CA PRO A 419 97.868 6.492 -1.283 1.00 0.00 C ATOM 1486 C PRO A 419 97.005 5.679 -2.247 1.00 0.00 C ATOM 1487 O PRO A 419 95.908 5.243 -1.898 1.00 0.00 O ATOM 1488 CB PRO A 419 98.781 5.583 -0.448 1.00 0.00 C ATOM 1489 CG PRO A 419 98.918 6.285 0.865 1.00 0.00 C ATOM 1490 CD PRO A 419 97.584 6.999 1.103 1.00 0.00 C ATOM 0 HA PRO A 419 98.420 7.182 -1.921 1.00 0.00 H new ATOM 0 HB2 PRO A 419 98.346 4.592 -0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 419 99.750 5.447 -0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 419 99.130 5.577 1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 419 99.743 6.997 0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 419 96.911 6.397 1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 419 97.724 7.946 1.623 1.00 0.00 H new ATOM 1498 N LEU A 420 97.512 5.476 -3.459 1.00 0.00 N ATOM 1499 CA LEU A 420 96.781 4.713 -4.464 1.00 0.00 C ATOM 1500 C LEU A 420 96.684 3.248 -4.053 1.00 0.00 C ATOM 1501 O LEU A 420 96.122 2.427 -4.777 1.00 0.00 O ATOM 1502 CB LEU A 420 97.486 4.816 -5.822 1.00 0.00 C ATOM 1503 CG LEU A 420 97.650 6.290 -6.225 1.00 0.00 C ATOM 1504 CD1 LEU A 420 98.725 6.407 -7.309 1.00 0.00 C ATOM 1505 CD2 LEU A 420 96.326 6.840 -6.774 1.00 0.00 C ATOM 0 H LEU A 420 98.419 5.826 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 420 95.776 5.128 -4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 420 98.463 4.335 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 420 96.909 4.286 -6.580 1.00 0.00 H new ATOM 0 HG LEU A 420 97.942 6.864 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 420 98.841 7.452 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 420 99.672 6.028 -6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 420 98.428 5.824 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 420 96.455 7.885 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 420 96.027 6.262 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 420 95.555 6.764 -6.008 1.00 0.00 H new ATOM 1517 N ARG A 421 97.234 2.927 -2.884 1.00 0.00 N ATOM 1518 CA ARG A 421 97.205 1.554 -2.384 1.00 0.00 C ATOM 1519 C ARG A 421 95.845 0.910 -2.645 1.00 0.00 C ATOM 1520 O ARG A 421 95.758 -0.285 -2.927 1.00 0.00 O ATOM 1521 CB ARG A 421 97.496 1.539 -0.882 1.00 0.00 C ATOM 1522 CG ARG A 421 97.688 0.094 -0.416 1.00 0.00 C ATOM 1523 CD ARG A 421 98.027 0.079 1.075 1.00 0.00 C ATOM 1524 NE ARG A 421 98.347 -1.277 1.507 1.00 0.00 N ATOM 1525 CZ ARG A 421 97.391 -2.177 1.710 1.00 0.00 C ATOM 1526 NH1 ARG A 421 96.140 -1.855 1.524 1.00 0.00 N ATOM 1527 NH2 ARG A 421 97.703 -3.385 2.095 1.00 0.00 N ATOM 0 H ARG A 421 97.702 3.593 -2.269 1.00 0.00 H new ATOM 0 HA ARG A 421 97.970 0.983 -2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 421 98.391 2.124 -0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 421 96.674 2.003 -0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 421 96.781 -0.482 -0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 421 98.487 -0.380 -0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 421 98.872 0.739 1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 421 97.184 0.462 1.651 1.00 0.00 H new ATOM 0 HE ARG A 421 99.322 -1.539 1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 421 95.896 -0.912 1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 421 95.407 -2.547 1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 421 98.681 -3.638 2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 421 96.969 -4.076 2.251 1.00 0.00 H new ATOM 1541 N GLN A 422 94.786 1.712 -2.550 1.00 0.00 N ATOM 1542 CA GLN A 422 93.429 1.215 -2.778 1.00 0.00 C ATOM 1543 C GLN A 422 93.022 1.412 -4.231 1.00 0.00 C ATOM 1544 O GLN A 422 92.725 0.445 -4.933 1.00 0.00 O ATOM 1545 CB GLN A 422 92.447 1.950 -1.864 1.00 0.00 C ATOM 1546 CG GLN A 422 92.694 1.542 -0.411 1.00 0.00 C ATOM 1547 CD GLN A 422 92.173 0.129 -0.171 1.00 0.00 C ATOM 1548 OE1 GLN A 422 92.957 -0.817 -0.082 1.00 0.00 O ATOM 1549 NE2 GLN A 422 90.889 -0.073 -0.059 1.00 0.00 N ATOM 0 H GLN A 422 94.840 2.704 -2.318 1.00 0.00 H new ATOM 0 HA GLN A 422 93.409 0.149 -2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 422 92.568 3.028 -1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 422 91.422 1.713 -2.149 1.00 0.00 H new ATOM 0 HG2 GLN A 422 93.760 1.588 -0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 422 92.197 2.241 0.261 1.00 0.00 H new ATOM 0 HE21 GLN A 422 90.241 0.711 -0.133 1.00 0.00 H new ATOM 0 HE22 GLN A 422 90.533 -1.015 0.102 1.00 0.00 H new ATOM 1558 N VAL A 423 92.999 2.668 -4.674 1.00 0.00 N ATOM 1559 CA VAL A 423 92.618 2.986 -6.050 1.00 0.00 C ATOM 1560 C VAL A 423 93.163 1.943 -7.021 1.00 0.00 C ATOM 1561 O VAL A 423 92.618 1.748 -8.108 1.00 0.00 O ATOM 1562 CB VAL A 423 93.154 4.364 -6.434 1.00 0.00 C ATOM 1563 CG1 VAL A 423 92.512 4.814 -7.747 1.00 0.00 C ATOM 1564 CG2 VAL A 423 92.815 5.369 -5.331 1.00 0.00 C ATOM 0 H VAL A 423 93.238 3.479 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 423 91.530 2.985 -6.109 1.00 0.00 H new ATOM 0 HB VAL A 423 94.236 4.311 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 423 92.895 5.797 -8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 423 92.753 4.099 -8.534 1.00 0.00 H new ATOM 0 HG13 VAL A 423 91.430 4.867 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 423 93.197 6.352 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 423 91.733 5.422 -5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 423 93.272 5.050 -4.395 1.00 0.00 H new ATOM 1574 N GLN A 424 94.234 1.266 -6.617 1.00 0.00 N ATOM 1575 CA GLN A 424 94.830 0.236 -7.456 1.00 0.00 C ATOM 1576 C GLN A 424 93.813 -0.869 -7.719 1.00 0.00 C ATOM 1577 O GLN A 424 94.085 -1.822 -8.451 1.00 0.00 O ATOM 1578 CB GLN A 424 96.076 -0.347 -6.773 1.00 0.00 C ATOM 1579 CG GLN A 424 97.268 0.598 -6.974 1.00 0.00 C ATOM 1580 CD GLN A 424 98.373 0.266 -5.977 1.00 0.00 C ATOM 1581 OE1 GLN A 424 98.873 -0.859 -5.952 1.00 0.00 O ATOM 1582 NE2 GLN A 424 98.786 1.184 -5.147 1.00 0.00 N ATOM 0 H GLN A 424 94.702 1.411 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 424 95.127 0.680 -8.406 1.00 0.00 H new ATOM 0 HB2 GLN A 424 95.887 -0.487 -5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 424 96.304 -1.329 -7.188 1.00 0.00 H new ATOM 0 HG2 GLN A 424 97.647 0.507 -7.992 1.00 0.00 H new ATOM 0 HG3 GLN A 424 96.948 1.632 -6.844 1.00 0.00 H new ATOM 0 HE21 GLN A 424 98.371 2.115 -5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 424 99.524 0.970 -4.476 1.00 0.00 H new