USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 390 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 393 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 366 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0912) USER MOD Set 2.2: A 373 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 357 ASN :FLIP amide:sc= -2.47 F(o=-6.5!,f=-5.5) USER MOD Set 3.2: A 360 ASN : amide:sc= -3.01! C(o=-5.5!,f=-11!) USER MOD Set 4.1: A 348 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 396 LYS NZ :NH3+ -143:sc= -1.82! (180deg=-4.87!) USER MOD Single : A 345 SER OG : rot -41:sc= -0.043 USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 HIS : no HD1:sc= -0.613 K(o=-0.61,f=-1.3) USER MOD Single : A 349 THR OG1 : rot 60:sc= -0.653 USER MOD Single : A 351 GLN : amide:sc= -1.7! C(o=-1.7!,f=-5.4!) USER MOD Single : A 353 SER OG : rot 69:sc= 0.424! USER MOD Single : A 354 SER OG : rot 180:sc= 0 USER MOD Single : A 355 SER OG : rot 50:sc= 1.17 USER MOD Single : A 356 SER OG : rot 68:sc= 1.18 USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 ASN :FLIP amide:sc= -3.14 F(o=-4.4!,f=-3.1) USER MOD Single : A 367 LYS NZ :NH3+ 160:sc= -0.139 (180deg=-0.847) USER MOD Single : A 369 ASN : amide:sc= -0.516 K(o=-0.52,f=-2.6!) USER MOD Single : A 371 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.117) USER MOD Single : A 372 ASN :FLIP amide:sc= -0.753 F(o=-3.4!,f=-0.75) USER MOD Single : A 376 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 THR OG1 : rot 180:sc= 0.173! USER MOD Single : A 379 THR OG1 : rot 180:sc= 0 USER MOD Single : A 381 ASN : amide:sc= -2.33! C(o=-2.3!,f=-5.3!) USER MOD Single : A 383 GLN : amide:sc= -0.812 X(o=-0.81,f=-0.39) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 SER OG : rot 180:sc= -0.0784 USER MOD Single : A 400 LYS NZ :NH3+ 161:sc= -0.0786 (180deg=-0.677) USER MOD Single : A 401 LYS NZ :NH3+ -109:sc= -2.41 (180deg=-4.93!) USER MOD Single : A 404 SER OG : rot -98:sc= 0.905 USER MOD Single : A 405 THR OG1 : rot -92:sc= 0.327 USER MOD Single : A 411 GLN : amide:sc= -0.0601 X(o=-0.06,f=0) USER MOD Single : A 413 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.324) USER MOD Single : A 414 ASN : amide:sc= -1.1 K(o=-1.1,f=-5!) USER MOD Single : A 418 LYS NZ :NH3+ 157:sc= -0.0636 (180deg=-0.431) USER MOD Single : A 422 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 424 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 103.008 2.373 -6.402 1.00 0.00 N ATOM 322 CA SER A 345 102.816 2.599 -4.972 1.00 0.00 C ATOM 323 C SER A 345 103.673 3.766 -4.492 1.00 0.00 C ATOM 324 O SER A 345 103.191 4.657 -3.793 1.00 0.00 O ATOM 325 CB SER A 345 103.192 1.338 -4.193 1.00 0.00 C ATOM 326 OG SER A 345 104.545 1.001 -4.469 1.00 0.00 O ATOM 0 HA SER A 345 101.767 2.838 -4.799 1.00 0.00 H new ATOM 0 HB2 SER A 345 103.057 1.503 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 345 102.536 0.514 -4.473 1.00 0.00 H new ATOM 0 HG SER A 345 104.728 1.137 -5.422 1.00 0.00 H new ATOM 332 N SER A 346 104.947 3.753 -4.871 1.00 0.00 N ATOM 333 CA SER A 346 105.862 4.817 -4.473 1.00 0.00 C ATOM 334 C SER A 346 105.247 6.185 -4.746 1.00 0.00 C ATOM 335 O SER A 346 105.619 7.178 -4.122 1.00 0.00 O ATOM 336 CB SER A 346 107.179 4.685 -5.240 1.00 0.00 C ATOM 337 OG SER A 346 107.780 3.436 -4.928 1.00 0.00 O ATOM 0 H SER A 346 105.367 3.024 -5.448 1.00 0.00 H new ATOM 0 HA SER A 346 106.052 4.725 -3.404 1.00 0.00 H new ATOM 0 HB2 SER A 346 106.998 4.757 -6.312 1.00 0.00 H new ATOM 0 HB3 SER A 346 107.851 5.501 -4.975 1.00 0.00 H new ATOM 0 HG SER A 346 108.623 3.347 -5.419 1.00 0.00 H new ATOM 343 N HIS A 347 104.305 6.229 -5.682 1.00 0.00 N ATOM 344 CA HIS A 347 103.645 7.483 -6.028 1.00 0.00 C ATOM 345 C HIS A 347 102.935 8.067 -4.811 1.00 0.00 C ATOM 346 O HIS A 347 103.095 7.578 -3.694 1.00 0.00 O ATOM 347 CB HIS A 347 102.633 7.250 -7.153 1.00 0.00 C ATOM 348 CG HIS A 347 103.364 7.015 -8.447 1.00 0.00 C ATOM 349 ND1 HIS A 347 102.860 7.439 -9.668 1.00 0.00 N ATOM 350 CD2 HIS A 347 104.561 6.405 -8.728 1.00 0.00 C ATOM 351 CE1 HIS A 347 103.745 7.081 -10.617 1.00 0.00 C ATOM 352 NE2 HIS A 347 104.800 6.449 -10.098 1.00 0.00 N ATOM 0 H HIS A 347 103.983 5.418 -6.211 1.00 0.00 H new ATOM 0 HA HIS A 347 104.403 8.190 -6.366 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.004 6.392 -6.918 1.00 0.00 H new ATOM 0 HB3 HIS A 347 101.974 8.113 -7.247 1.00 0.00 H new ATOM 0 HD2 HIS A 347 105.218 5.958 -7.996 1.00 0.00 H new ATOM 0 HE1 HIS A 347 103.617 7.281 -11.671 1.00 0.00 H new ATOM 0 HE2 HIS A 347 105.608 6.078 -10.598 1.00 0.00 H new ATOM 361 N TYR A 348 102.143 9.110 -5.038 1.00 0.00 N ATOM 362 CA TYR A 348 101.404 9.752 -3.955 1.00 0.00 C ATOM 363 C TYR A 348 100.420 10.771 -4.532 1.00 0.00 C ATOM 364 O TYR A 348 100.698 11.408 -5.548 1.00 0.00 O ATOM 365 CB TYR A 348 102.389 10.450 -2.987 1.00 0.00 C ATOM 366 CG TYR A 348 102.720 9.536 -1.823 1.00 0.00 C ATOM 367 CD1 TYR A 348 101.735 9.234 -0.875 1.00 0.00 C ATOM 368 CD2 TYR A 348 104.007 8.996 -1.691 1.00 0.00 C ATOM 369 CE1 TYR A 348 102.033 8.395 0.203 1.00 0.00 C ATOM 370 CE2 TYR A 348 104.305 8.155 -0.613 1.00 0.00 C ATOM 371 CZ TYR A 348 103.318 7.854 0.335 1.00 0.00 C ATOM 372 OH TYR A 348 103.612 7.025 1.398 1.00 0.00 O ATOM 0 H TYR A 348 101.996 9.527 -5.957 1.00 0.00 H new ATOM 0 HA TYR A 348 100.846 8.995 -3.404 1.00 0.00 H new ATOM 0 HB2 TYR A 348 103.302 10.719 -3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 348 101.951 11.377 -2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 348 100.743 9.650 -0.977 1.00 0.00 H new ATOM 0 HD2 TYR A 348 104.768 9.229 -2.421 1.00 0.00 H new ATOM 0 HE1 TYR A 348 101.272 8.164 0.934 1.00 0.00 H new ATOM 0 HE2 TYR A 348 105.296 7.738 -0.512 1.00 0.00 H new ATOM 0 HH TYR A 348 104.547 6.736 1.339 1.00 0.00 H new ATOM 382 N THR A 349 99.273 10.923 -3.873 1.00 0.00 N ATOM 383 CA THR A 349 98.252 11.871 -4.318 1.00 0.00 C ATOM 384 C THR A 349 97.573 12.504 -3.108 1.00 0.00 C ATOM 385 O THR A 349 97.705 12.012 -1.987 1.00 0.00 O ATOM 386 CB THR A 349 97.208 11.151 -5.174 1.00 0.00 C ATOM 387 OG1 THR A 349 96.300 12.104 -5.709 1.00 0.00 O ATOM 388 CG2 THR A 349 96.447 10.141 -4.315 1.00 0.00 C ATOM 0 H THR A 349 99.027 10.403 -3.031 1.00 0.00 H new ATOM 0 HA THR A 349 98.727 12.650 -4.914 1.00 0.00 H new ATOM 0 HB THR A 349 97.705 10.625 -5.989 1.00 0.00 H new ATOM 0 HG1 THR A 349 96.790 12.749 -6.261 1.00 0.00 H new ATOM 0 HG21 THR A 349 95.704 9.630 -4.927 1.00 0.00 H new ATOM 0 HG22 THR A 349 97.146 9.411 -3.907 1.00 0.00 H new ATOM 0 HG23 THR A 349 95.948 10.662 -3.498 1.00 0.00 H new ATOM 396 N LEU A 350 96.833 13.589 -3.340 1.00 0.00 N ATOM 397 CA LEU A 350 96.119 14.287 -2.265 1.00 0.00 C ATOM 398 C LEU A 350 94.629 14.340 -2.598 1.00 0.00 C ATOM 399 O LEU A 350 94.249 14.605 -3.738 1.00 0.00 O ATOM 400 CB LEU A 350 96.669 15.725 -2.109 1.00 0.00 C ATOM 401 CG LEU A 350 97.737 15.807 -0.993 1.00 0.00 C ATOM 402 CD1 LEU A 350 97.086 15.664 0.397 1.00 0.00 C ATOM 403 CD2 LEU A 350 98.800 14.712 -1.190 1.00 0.00 C ATOM 0 H LEU A 350 96.711 14.005 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 350 96.266 13.749 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 350 97.102 16.054 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.849 16.406 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 350 98.218 16.784 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 350 97.855 15.725 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 350 96.362 16.465 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 350 96.580 14.701 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 350 99.545 14.782 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 350 98.324 13.732 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 350 99.285 14.846 -2.157 1.00 0.00 H new ATOM 415 N GLN A 351 93.793 14.093 -1.596 1.00 0.00 N ATOM 416 CA GLN A 351 92.347 14.121 -1.793 1.00 0.00 C ATOM 417 C GLN A 351 91.801 15.517 -1.515 1.00 0.00 C ATOM 418 O GLN A 351 92.037 16.082 -0.448 1.00 0.00 O ATOM 419 CB GLN A 351 91.679 13.116 -0.853 1.00 0.00 C ATOM 420 CG GLN A 351 90.241 12.878 -1.306 1.00 0.00 C ATOM 421 CD GLN A 351 89.584 11.813 -0.433 1.00 0.00 C ATOM 422 OE1 GLN A 351 88.684 12.119 0.349 1.00 0.00 O ATOM 423 NE2 GLN A 351 89.983 10.573 -0.520 1.00 0.00 N ATOM 0 H GLN A 351 94.088 13.872 -0.645 1.00 0.00 H new ATOM 0 HA GLN A 351 92.130 13.855 -2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 351 92.232 12.177 -0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.692 13.493 0.170 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.675 13.807 -1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 351 90.228 12.563 -2.349 1.00 0.00 H new ATOM 0 HE21 GLN A 351 90.729 10.322 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 351 89.549 9.856 0.061 1.00 0.00 H new ATOM 432 N LEU A 352 91.074 16.076 -2.484 1.00 0.00 N ATOM 433 CA LEU A 352 90.502 17.418 -2.341 1.00 0.00 C ATOM 434 C LEU A 352 89.009 17.404 -2.659 1.00 0.00 C ATOM 435 O LEU A 352 88.334 18.428 -2.542 1.00 0.00 O ATOM 436 CB LEU A 352 91.212 18.402 -3.283 1.00 0.00 C ATOM 437 CG LEU A 352 91.296 17.813 -4.717 1.00 0.00 C ATOM 438 CD1 LEU A 352 91.208 18.942 -5.752 1.00 0.00 C ATOM 439 CD2 LEU A 352 92.627 17.067 -4.908 1.00 0.00 C ATOM 0 H LEU A 352 90.867 15.623 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 352 90.643 17.737 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 352 90.673 19.349 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 352 92.214 18.613 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 352 90.466 17.120 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 352 91.268 18.521 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 352 90.261 19.469 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 352 92.033 19.639 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 352 92.674 16.659 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 352 93.456 17.758 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 352 92.696 16.255 -4.185 1.00 0.00 H new ATOM 451 N SER A 353 88.496 16.243 -3.064 1.00 0.00 N ATOM 452 CA SER A 353 87.076 16.111 -3.403 1.00 0.00 C ATOM 453 C SER A 353 86.516 14.796 -2.870 1.00 0.00 C ATOM 454 O SER A 353 87.040 13.723 -3.166 1.00 0.00 O ATOM 455 CB SER A 353 86.899 16.159 -4.921 1.00 0.00 C ATOM 456 OG SER A 353 85.544 16.463 -5.226 1.00 0.00 O ATOM 0 H SER A 353 89.037 15.384 -3.166 1.00 0.00 H new ATOM 0 HA SER A 353 86.534 16.937 -2.943 1.00 0.00 H new ATOM 0 HB2 SER A 353 87.559 16.912 -5.352 1.00 0.00 H new ATOM 0 HB3 SER A 353 87.177 15.202 -5.362 1.00 0.00 H new ATOM 0 HG SER A 353 85.349 17.387 -4.963 1.00 0.00 H new ATOM 462 N SER A 354 85.444 14.887 -2.085 1.00 0.00 N ATOM 463 CA SER A 354 84.810 13.698 -1.514 1.00 0.00 C ATOM 464 C SER A 354 83.294 13.886 -1.459 1.00 0.00 C ATOM 465 O SER A 354 82.803 14.991 -1.230 1.00 0.00 O ATOM 466 CB SER A 354 85.347 13.450 -0.104 1.00 0.00 C ATOM 467 OG SER A 354 85.001 12.132 0.304 1.00 0.00 O ATOM 0 H SER A 354 84.997 15.768 -1.830 1.00 0.00 H new ATOM 0 HA SER A 354 85.040 12.839 -2.145 1.00 0.00 H new ATOM 0 HB2 SER A 354 86.430 13.576 -0.087 1.00 0.00 H new ATOM 0 HB3 SER A 354 84.930 14.180 0.590 1.00 0.00 H new ATOM 0 HG SER A 354 85.345 11.968 1.207 1.00 0.00 H new ATOM 473 N SER A 355 82.559 12.798 -1.667 1.00 0.00 N ATOM 474 CA SER A 355 81.099 12.843 -1.638 1.00 0.00 C ATOM 475 C SER A 355 80.535 11.543 -2.218 1.00 0.00 C ATOM 476 O SER A 355 81.255 10.554 -2.335 1.00 0.00 O ATOM 477 CB SER A 355 80.595 14.070 -2.420 1.00 0.00 C ATOM 478 OG SER A 355 80.389 15.145 -1.511 1.00 0.00 O ATOM 0 H SER A 355 82.949 11.875 -1.857 1.00 0.00 H new ATOM 0 HA SER A 355 80.754 12.937 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 355 81.320 14.355 -3.182 1.00 0.00 H new ATOM 0 HB3 SER A 355 79.666 13.831 -2.938 1.00 0.00 H new ATOM 0 HG SER A 355 81.186 15.258 -0.952 1.00 0.00 H new ATOM 484 N SER A 356 79.248 11.538 -2.570 1.00 0.00 N ATOM 485 CA SER A 356 78.618 10.335 -3.123 1.00 0.00 C ATOM 486 C SER A 356 77.629 10.684 -4.234 1.00 0.00 C ATOM 487 O SER A 356 76.479 10.247 -4.212 1.00 0.00 O ATOM 488 CB SER A 356 77.886 9.583 -2.015 1.00 0.00 C ATOM 489 OG SER A 356 76.633 10.208 -1.770 1.00 0.00 O ATOM 0 H SER A 356 78.627 12.342 -2.484 1.00 0.00 H new ATOM 0 HA SER A 356 79.403 9.709 -3.546 1.00 0.00 H new ATOM 0 HB2 SER A 356 77.736 8.543 -2.304 1.00 0.00 H new ATOM 0 HB3 SER A 356 78.487 9.578 -1.105 1.00 0.00 H new ATOM 0 HG SER A 356 76.049 10.085 -2.547 1.00 0.00 H new ATOM 495 N ASN A 357 78.084 11.467 -5.206 1.00 0.00 N ATOM 496 CA ASN A 357 77.223 11.856 -6.318 1.00 0.00 C ATOM 497 C ASN A 357 78.029 12.541 -7.419 1.00 0.00 C ATOM 498 O ASN A 357 78.725 13.525 -7.172 1.00 0.00 O ATOM 499 CB ASN A 357 76.120 12.794 -5.814 1.00 0.00 C ATOM 500 CG ASN A 357 76.696 13.783 -4.808 1.00 0.00 C ATOM 501 OD1 ASN A 357 77.979 14.026 -4.807 1.00 0.00 O flip ATOM 502 ND2 ASN A 357 75.960 14.351 -4.001 1.00 0.00 N flip ATOM 0 H ASN A 357 79.032 11.841 -5.248 1.00 0.00 H new ATOM 0 HA ASN A 357 76.772 10.957 -6.737 1.00 0.00 H new ATOM 0 HB2 ASN A 357 75.677 13.332 -6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.322 12.214 -5.350 1.00 0.00 H new ATOM 0 HD21 ASN A 357 74.958 14.160 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 357 76.352 15.012 -3.331 1.00 0.00 H new ATOM 509 N TYR A 358 77.922 12.014 -8.636 1.00 0.00 N ATOM 510 CA TYR A 358 78.641 12.583 -9.772 1.00 0.00 C ATOM 511 C TYR A 358 77.925 13.830 -10.283 1.00 0.00 C ATOM 512 O TYR A 358 78.500 14.917 -10.313 1.00 0.00 O ATOM 513 CB TYR A 358 78.745 11.551 -10.898 1.00 0.00 C ATOM 514 CG TYR A 358 79.687 12.060 -11.966 1.00 0.00 C ATOM 515 CD1 TYR A 358 79.247 13.018 -12.887 1.00 0.00 C ATOM 516 CD2 TYR A 358 81.001 11.575 -12.034 1.00 0.00 C ATOM 517 CE1 TYR A 358 80.117 13.490 -13.876 1.00 0.00 C ATOM 518 CE2 TYR A 358 81.870 12.049 -13.023 1.00 0.00 C ATOM 519 CZ TYR A 358 81.429 13.007 -13.944 1.00 0.00 C ATOM 520 OH TYR A 358 82.287 13.474 -14.919 1.00 0.00 O ATOM 0 H TYR A 358 77.349 11.200 -8.860 1.00 0.00 H new ATOM 0 HA TYR A 358 79.643 12.860 -9.444 1.00 0.00 H new ATOM 0 HB2 TYR A 358 79.106 10.601 -10.503 1.00 0.00 H new ATOM 0 HB3 TYR A 358 77.760 11.364 -11.326 1.00 0.00 H new ATOM 0 HD1 TYR A 358 78.236 13.393 -12.834 1.00 0.00 H new ATOM 0 HD2 TYR A 358 81.342 10.836 -11.324 1.00 0.00 H new ATOM 0 HE1 TYR A 358 79.776 14.228 -14.587 1.00 0.00 H new ATOM 0 HE2 TYR A 358 82.882 11.676 -13.076 1.00 0.00 H new ATOM 0 HH TYR A 358 83.159 13.037 -14.824 1.00 0.00 H new ATOM 530 N ASP A 359 76.669 13.664 -10.690 1.00 0.00 N ATOM 531 CA ASP A 359 75.885 14.784 -11.204 1.00 0.00 C ATOM 532 C ASP A 359 76.082 16.029 -10.342 1.00 0.00 C ATOM 533 O ASP A 359 75.892 17.153 -10.807 1.00 0.00 O ATOM 534 CB ASP A 359 74.402 14.410 -11.231 1.00 0.00 C ATOM 535 CG ASP A 359 73.606 15.492 -11.954 1.00 0.00 C ATOM 536 OD1 ASP A 359 74.216 16.447 -12.405 1.00 0.00 O ATOM 537 OD2 ASP A 359 72.398 15.349 -12.044 1.00 0.00 O ATOM 0 H ASP A 359 76.175 12.772 -10.674 1.00 0.00 H new ATOM 0 HA ASP A 359 76.227 15.005 -12.215 1.00 0.00 H new ATOM 0 HB2 ASP A 359 74.269 13.452 -11.733 1.00 0.00 H new ATOM 0 HB3 ASP A 359 74.030 14.291 -10.214 1.00 0.00 H new ATOM 542 N ASN A 360 76.467 15.822 -9.085 1.00 0.00 N ATOM 543 CA ASN A 360 76.696 16.937 -8.164 1.00 0.00 C ATOM 544 C ASN A 360 78.159 17.358 -8.204 1.00 0.00 C ATOM 545 O ASN A 360 78.489 18.526 -7.994 1.00 0.00 O ATOM 546 CB ASN A 360 76.323 16.524 -6.740 1.00 0.00 C ATOM 547 CG ASN A 360 74.961 15.838 -6.731 1.00 0.00 C ATOM 548 OD1 ASN A 360 74.599 15.162 -7.694 1.00 0.00 O ATOM 549 ND2 ASN A 360 74.180 15.971 -5.694 1.00 0.00 N ATOM 0 H ASN A 360 76.627 14.899 -8.681 1.00 0.00 H new ATOM 0 HA ASN A 360 76.073 17.777 -8.471 1.00 0.00 H new ATOM 0 HB2 ASN A 360 77.080 15.851 -6.339 1.00 0.00 H new ATOM 0 HB3 ASN A 360 76.301 17.401 -6.093 1.00 0.00 H new ATOM 0 HD21 ASN A 360 73.268 15.514 -5.681 1.00 0.00 H new ATOM 0 HD22 ASN A 360 74.482 16.531 -4.897 1.00 0.00 H new ATOM 556 N LEU A 361 79.032 16.396 -8.481 1.00 0.00 N ATOM 557 CA LEU A 361 80.462 16.666 -8.555 1.00 0.00 C ATOM 558 C LEU A 361 80.741 17.709 -9.632 1.00 0.00 C ATOM 559 O LEU A 361 81.315 18.762 -9.352 1.00 0.00 O ATOM 560 CB LEU A 361 81.213 15.365 -8.870 1.00 0.00 C ATOM 561 CG LEU A 361 82.695 15.481 -8.472 1.00 0.00 C ATOM 562 CD1 LEU A 361 83.341 14.092 -8.515 1.00 0.00 C ATOM 563 CD2 LEU A 361 83.437 16.420 -9.438 1.00 0.00 C ATOM 0 H LEU A 361 78.775 15.425 -8.658 1.00 0.00 H new ATOM 0 HA LEU A 361 80.806 17.055 -7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 361 80.752 14.535 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 361 81.134 15.142 -9.934 1.00 0.00 H new ATOM 0 HG LEU A 361 82.760 15.890 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 361 84.391 14.170 -8.234 1.00 0.00 H new ATOM 0 HD12 LEU A 361 82.827 13.430 -7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 361 83.265 13.686 -9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 361 84.484 16.492 -9.143 1.00 0.00 H new ATOM 0 HD22 LEU A 361 83.372 16.025 -10.452 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.982 17.410 -9.405 1.00 0.00 H new ATOM 575 N ASN A 362 80.331 17.416 -10.859 1.00 0.00 N ATOM 576 CA ASN A 362 80.544 18.346 -11.961 1.00 0.00 C ATOM 577 C ASN A 362 80.046 19.735 -11.576 1.00 0.00 C ATOM 578 O ASN A 362 80.658 20.745 -11.925 1.00 0.00 O ATOM 579 CB ASN A 362 79.802 17.861 -13.209 1.00 0.00 C ATOM 580 CG ASN A 362 78.297 17.884 -12.964 1.00 0.00 C ATOM 581 OD1 ASN A 362 77.727 16.868 -12.378 1.00 0.00 O flip ATOM 582 ND2 ASN A 362 77.625 18.853 -13.317 1.00 0.00 N flip ATOM 0 H ASN A 362 79.854 16.552 -11.115 1.00 0.00 H new ATOM 0 HA ASN A 362 81.611 18.395 -12.176 1.00 0.00 H new ATOM 0 HB2 ASN A 362 80.050 18.496 -14.059 1.00 0.00 H new ATOM 0 HB3 ASN A 362 80.122 16.850 -13.462 1.00 0.00 H new ATOM 0 HD21 ASN A 362 78.075 19.646 -13.775 1.00 0.00 H new ATOM 0 HD22 ASN A 362 76.619 18.863 -13.151 1.00 0.00 H new ATOM 589 N GLY A 363 78.932 19.776 -10.852 1.00 0.00 N ATOM 590 CA GLY A 363 78.357 21.043 -10.419 1.00 0.00 C ATOM 591 C GLY A 363 79.197 21.677 -9.315 1.00 0.00 C ATOM 592 O GLY A 363 79.010 22.844 -8.976 1.00 0.00 O ATOM 0 H GLY A 363 78.412 18.950 -10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 363 78.291 21.725 -11.267 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.341 20.881 -10.060 1.00 0.00 H new ATOM 596 N TRP A 364 80.125 20.898 -8.756 1.00 0.00 N ATOM 597 CA TRP A 364 80.998 21.390 -7.686 1.00 0.00 C ATOM 598 C TRP A 364 82.397 21.676 -8.223 1.00 0.00 C ATOM 599 O TRP A 364 82.855 22.817 -8.206 1.00 0.00 O ATOM 600 CB TRP A 364 81.086 20.355 -6.563 1.00 0.00 C ATOM 601 CG TRP A 364 81.875 20.926 -5.428 1.00 0.00 C ATOM 602 CD1 TRP A 364 81.454 21.922 -4.616 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.208 20.558 -4.969 1.00 0.00 C ATOM 604 NE1 TRP A 364 82.447 22.191 -3.686 1.00 0.00 N ATOM 605 CE2 TRP A 364 83.546 21.376 -3.864 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.148 19.604 -5.399 1.00 0.00 C ATOM 607 CZ2 TRP A 364 84.774 21.252 -3.212 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.383 19.478 -4.743 1.00 0.00 C ATOM 609 CH2 TRP A 364 85.696 20.300 -3.653 1.00 0.00 C ATOM 0 H TRP A 364 80.292 19.928 -9.024 1.00 0.00 H new ATOM 0 HA TRP A 364 80.573 22.315 -7.296 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.086 20.082 -6.225 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.559 19.444 -6.928 1.00 0.00 H new ATOM 0 HD1 TRP A 364 80.501 22.425 -4.681 1.00 0.00 H new ATOM 0 HE1 TRP A 364 82.374 22.904 -2.960 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.918 18.965 -6.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 85.010 21.888 -2.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 86.097 18.742 -5.081 1.00 0.00 H new ATOM 0 HH2 TRP A 364 86.649 20.198 -3.154 1.00 0.00 H new ATOM 620 N ALA A 365 83.075 20.637 -8.699 1.00 0.00 N ATOM 621 CA ALA A 365 84.419 20.811 -9.237 1.00 0.00 C ATOM 622 C ALA A 365 84.430 21.948 -10.253 1.00 0.00 C ATOM 623 O ALA A 365 84.838 23.067 -9.942 1.00 0.00 O ATOM 624 CB ALA A 365 84.896 19.519 -9.906 1.00 0.00 C ATOM 0 H ALA A 365 82.723 19.680 -8.724 1.00 0.00 H new ATOM 0 HA ALA A 365 85.093 21.054 -8.416 1.00 0.00 H new ATOM 0 HB1 ALA A 365 85.901 19.664 -10.303 1.00 0.00 H new ATOM 0 HB2 ALA A 365 84.909 18.713 -9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 365 84.219 19.259 -10.719 1.00 0.00 H new ATOM 630 N LYS A 366 83.979 21.643 -11.469 1.00 0.00 N ATOM 631 CA LYS A 366 83.931 22.635 -12.547 1.00 0.00 C ATOM 632 C LYS A 366 83.586 24.022 -12.007 1.00 0.00 C ATOM 633 O LYS A 366 84.133 25.028 -12.460 1.00 0.00 O ATOM 634 CB LYS A 366 82.890 22.221 -13.589 1.00 0.00 C ATOM 635 CG LYS A 366 83.130 20.769 -14.004 1.00 0.00 C ATOM 636 CD LYS A 366 82.273 20.438 -15.228 1.00 0.00 C ATOM 637 CE LYS A 366 82.494 18.978 -15.627 1.00 0.00 C ATOM 638 NZ LYS A 366 83.827 18.837 -16.277 1.00 0.00 N ATOM 0 H LYS A 366 83.641 20.718 -11.734 1.00 0.00 H new ATOM 0 HA LYS A 366 84.918 22.680 -13.008 1.00 0.00 H new ATOM 0 HB2 LYS A 366 81.886 22.332 -13.179 1.00 0.00 H new ATOM 0 HB3 LYS A 366 82.952 22.874 -14.460 1.00 0.00 H new ATOM 0 HG2 LYS A 366 84.184 20.615 -14.233 1.00 0.00 H new ATOM 0 HG3 LYS A 366 82.881 20.099 -13.181 1.00 0.00 H new ATOM 0 HD2 LYS A 366 81.220 20.609 -15.005 1.00 0.00 H new ATOM 0 HD3 LYS A 366 82.534 21.096 -16.057 1.00 0.00 H new ATOM 0 HE2 LYS A 366 82.437 18.337 -14.747 1.00 0.00 H new ATOM 0 HE3 LYS A 366 81.709 18.654 -16.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 83.903 17.896 -16.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 83.935 19.568 -17.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 84.575 18.949 -15.563 1.00 0.00 H new ATOM 652 N LYS A 367 82.684 24.068 -11.031 1.00 0.00 N ATOM 653 CA LYS A 367 82.287 25.339 -10.435 1.00 0.00 C ATOM 654 C LYS A 367 83.463 25.962 -9.690 1.00 0.00 C ATOM 655 O LYS A 367 83.825 27.113 -9.935 1.00 0.00 O ATOM 656 CB LYS A 367 81.116 25.131 -9.473 1.00 0.00 C ATOM 657 CG LYS A 367 80.480 26.482 -9.139 1.00 0.00 C ATOM 658 CD LYS A 367 79.510 26.314 -7.968 1.00 0.00 C ATOM 659 CE LYS A 367 78.971 27.684 -7.550 1.00 0.00 C ATOM 660 NZ LYS A 367 78.565 28.449 -8.763 1.00 0.00 N ATOM 0 H LYS A 367 82.219 23.249 -10.639 1.00 0.00 H new ATOM 0 HA LYS A 367 81.974 26.013 -11.233 1.00 0.00 H new ATOM 0 HB2 LYS A 367 80.375 24.470 -9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 367 81.463 24.646 -8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 367 81.253 27.207 -8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 367 79.952 26.872 -10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 367 78.687 25.660 -8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 367 80.017 25.839 -7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 367 78.119 27.563 -6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 367 79.734 28.234 -6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 77.906 29.206 -8.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 79.407 28.866 -9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 78.098 27.809 -9.437 1.00 0.00 H new ATOM 674 N GLU A 368 84.063 25.193 -8.786 1.00 0.00 N ATOM 675 CA GLU A 368 85.204 25.681 -8.021 1.00 0.00 C ATOM 676 C GLU A 368 86.370 25.977 -8.958 1.00 0.00 C ATOM 677 O GLU A 368 87.356 26.598 -8.563 1.00 0.00 O ATOM 678 CB GLU A 368 85.629 24.640 -6.985 1.00 0.00 C ATOM 679 CG GLU A 368 84.583 24.570 -5.869 1.00 0.00 C ATOM 680 CD GLU A 368 85.078 23.663 -4.748 1.00 0.00 C ATOM 681 OE1 GLU A 368 85.881 22.788 -5.031 1.00 0.00 O ATOM 682 OE2 GLU A 368 84.647 23.856 -3.623 1.00 0.00 O ATOM 0 H GLU A 368 83.781 24.238 -8.567 1.00 0.00 H new ATOM 0 HA GLU A 368 84.914 26.597 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 368 85.737 23.664 -7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 368 86.602 24.902 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 368 84.387 25.569 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 368 83.641 24.191 -6.265 1.00 0.00 H new ATOM 689 N ASN A 369 86.238 25.530 -10.203 1.00 0.00 N ATOM 690 CA ASN A 369 87.269 25.749 -11.211 1.00 0.00 C ATOM 691 C ASN A 369 88.540 24.965 -10.884 1.00 0.00 C ATOM 692 O ASN A 369 89.648 25.445 -11.122 1.00 0.00 O ATOM 693 CB ASN A 369 87.594 27.244 -11.315 1.00 0.00 C ATOM 694 CG ASN A 369 88.264 27.548 -12.653 1.00 0.00 C ATOM 695 OD1 ASN A 369 89.483 27.434 -12.778 1.00 0.00 O ATOM 696 ND2 ASN A 369 87.534 27.931 -13.665 1.00 0.00 N ATOM 0 H ASN A 369 85.425 25.013 -10.538 1.00 0.00 H new ATOM 0 HA ASN A 369 86.885 25.393 -12.167 1.00 0.00 H new ATOM 0 HB2 ASN A 369 86.680 27.830 -11.217 1.00 0.00 H new ATOM 0 HB3 ASN A 369 88.251 27.538 -10.496 1.00 0.00 H new ATOM 0 HD21 ASN A 369 87.974 28.137 -14.562 1.00 0.00 H new ATOM 0 HD22 ASN A 369 86.524 28.025 -13.559 1.00 0.00 H new ATOM 703 N LEU A 370 88.378 23.757 -10.352 1.00 0.00 N ATOM 704 CA LEU A 370 89.534 22.930 -10.023 1.00 0.00 C ATOM 705 C LEU A 370 90.387 22.717 -11.270 1.00 0.00 C ATOM 706 O LEU A 370 89.922 22.142 -12.255 1.00 0.00 O ATOM 707 CB LEU A 370 89.082 21.571 -9.475 1.00 0.00 C ATOM 708 CG LEU A 370 87.957 21.763 -8.454 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.613 20.414 -7.813 1.00 0.00 C ATOM 710 CD2 LEU A 370 88.411 22.742 -7.365 1.00 0.00 C ATOM 0 H LEU A 370 87.474 23.335 -10.142 1.00 0.00 H new ATOM 0 HA LEU A 370 90.122 23.441 -9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.738 20.937 -10.292 1.00 0.00 H new ATOM 0 HB3 LEU A 370 89.924 21.060 -9.008 1.00 0.00 H new ATOM 0 HG LEU A 370 87.077 22.163 -8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 370 86.812 20.550 -7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 370 87.288 19.717 -8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.494 20.014 -7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 370 87.609 22.877 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.292 22.343 -6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 370 88.656 23.703 -7.818 1.00 0.00 H new ATOM 722 N LYS A 371 91.634 23.185 -11.232 1.00 0.00 N ATOM 723 CA LYS A 371 92.535 23.041 -12.376 1.00 0.00 C ATOM 724 C LYS A 371 93.333 21.746 -12.273 1.00 0.00 C ATOM 725 O LYS A 371 93.578 21.241 -11.177 1.00 0.00 O ATOM 726 CB LYS A 371 93.507 24.228 -12.435 1.00 0.00 C ATOM 727 CG LYS A 371 92.734 25.551 -12.647 1.00 0.00 C ATOM 728 CD LYS A 371 92.386 26.198 -11.291 1.00 0.00 C ATOM 729 CE LYS A 371 93.570 27.035 -10.788 1.00 0.00 C ATOM 730 NZ LYS A 371 93.623 28.320 -11.541 1.00 0.00 N ATOM 0 H LYS A 371 92.041 23.663 -10.429 1.00 0.00 H new ATOM 0 HA LYS A 371 91.930 23.016 -13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 371 94.083 24.280 -11.511 1.00 0.00 H new ATOM 0 HB3 LYS A 371 94.220 24.082 -13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 371 93.336 26.239 -13.241 1.00 0.00 H new ATOM 0 HG3 LYS A 371 91.821 25.359 -13.210 1.00 0.00 H new ATOM 0 HD2 LYS A 371 91.503 26.829 -11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 371 92.141 25.425 -10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 371 93.464 27.230 -9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 371 94.501 26.484 -10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 94.221 28.999 -11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 94.023 28.152 -12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 92.662 28.707 -11.635 1.00 0.00 H new ATOM 744 N ASN A 372 93.737 21.214 -13.423 1.00 0.00 N ATOM 745 CA ASN A 372 94.510 19.978 -13.454 1.00 0.00 C ATOM 746 C ASN A 372 93.892 18.937 -12.527 1.00 0.00 C ATOM 747 O ASN A 372 94.227 18.867 -11.344 1.00 0.00 O ATOM 748 CB ASN A 372 95.952 20.253 -13.026 1.00 0.00 C ATOM 749 CG ASN A 372 96.739 18.948 -12.975 1.00 0.00 C ATOM 750 OD1 ASN A 372 96.200 17.852 -13.437 1.00 0.00 O flip ATOM 751 ND2 ASN A 372 97.876 18.925 -12.500 1.00 0.00 N flip ATOM 0 H ASN A 372 93.543 21.617 -14.340 1.00 0.00 H new ATOM 0 HA ASN A 372 94.501 19.592 -14.473 1.00 0.00 H new ATOM 0 HB2 ASN A 372 96.422 20.944 -13.726 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.964 20.733 -12.048 1.00 0.00 H new ATOM 0 HD21 ASN A 372 98.296 19.782 -12.140 1.00 0.00 H new ATOM 0 HD22 ASN A 372 98.397 18.049 -12.467 1.00 0.00 H new ATOM 758 N TYR A 373 92.988 18.129 -13.073 1.00 0.00 N ATOM 759 CA TYR A 373 92.328 17.095 -12.286 1.00 0.00 C ATOM 760 C TYR A 373 91.755 16.014 -13.197 1.00 0.00 C ATOM 761 O TYR A 373 91.528 16.246 -14.385 1.00 0.00 O ATOM 762 CB TYR A 373 91.202 17.711 -11.453 1.00 0.00 C ATOM 763 CG TYR A 373 90.142 18.266 -12.372 1.00 0.00 C ATOM 764 CD1 TYR A 373 90.323 19.517 -12.975 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.976 17.532 -12.623 1.00 0.00 C ATOM 766 CE1 TYR A 373 89.340 20.032 -13.829 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.993 18.048 -13.475 1.00 0.00 C ATOM 768 CZ TYR A 373 88.175 19.297 -14.078 1.00 0.00 C ATOM 769 OH TYR A 373 87.206 19.806 -14.919 1.00 0.00 O ATOM 0 H TYR A 373 92.698 18.170 -14.050 1.00 0.00 H new ATOM 0 HA TYR A 373 93.065 16.643 -11.622 1.00 0.00 H new ATOM 0 HB2 TYR A 373 90.769 16.958 -10.794 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.597 18.503 -10.817 1.00 0.00 H new ATOM 0 HD1 TYR A 373 91.221 20.085 -12.781 1.00 0.00 H new ATOM 0 HD2 TYR A 373 88.835 16.567 -12.159 1.00 0.00 H new ATOM 0 HE1 TYR A 373 89.481 20.996 -14.295 1.00 0.00 H new ATOM 0 HE2 TYR A 373 87.094 17.482 -13.667 1.00 0.00 H new ATOM 0 HH TYR A 373 86.463 19.170 -14.985 1.00 0.00 H new ATOM 779 N VAL A 374 91.521 14.831 -12.632 1.00 0.00 N ATOM 780 CA VAL A 374 90.973 13.708 -13.394 1.00 0.00 C ATOM 781 C VAL A 374 89.882 13.006 -12.593 1.00 0.00 C ATOM 782 O VAL A 374 90.161 12.350 -11.590 1.00 0.00 O ATOM 783 CB VAL A 374 92.086 12.712 -13.725 1.00 0.00 C ATOM 784 CG1 VAL A 374 91.492 11.504 -14.451 1.00 0.00 C ATOM 785 CG2 VAL A 374 93.122 13.388 -14.626 1.00 0.00 C ATOM 0 H VAL A 374 91.702 14.624 -11.650 1.00 0.00 H new ATOM 0 HA VAL A 374 90.542 14.092 -14.319 1.00 0.00 H new ATOM 0 HB VAL A 374 92.564 12.382 -12.803 1.00 0.00 H new ATOM 0 HG11 VAL A 374 92.285 10.795 -14.687 1.00 0.00 H new ATOM 0 HG12 VAL A 374 90.753 11.022 -13.811 1.00 0.00 H new ATOM 0 HG13 VAL A 374 91.014 11.833 -15.374 1.00 0.00 H new ATOM 0 HG21 VAL A 374 93.916 12.680 -14.863 1.00 0.00 H new ATOM 0 HG22 VAL A 374 92.643 13.717 -15.548 1.00 0.00 H new ATOM 0 HG23 VAL A 374 93.546 14.249 -14.110 1.00 0.00 H new ATOM 795 N VAL A 375 88.640 13.149 -13.044 1.00 0.00 N ATOM 796 CA VAL A 375 87.510 12.525 -12.363 1.00 0.00 C ATOM 797 C VAL A 375 87.376 11.063 -12.775 1.00 0.00 C ATOM 798 O VAL A 375 87.245 10.752 -13.960 1.00 0.00 O ATOM 799 CB VAL A 375 86.219 13.271 -12.706 1.00 0.00 C ATOM 800 CG1 VAL A 375 85.093 12.790 -11.790 1.00 0.00 C ATOM 801 CG2 VAL A 375 86.432 14.774 -12.510 1.00 0.00 C ATOM 0 H VAL A 375 88.391 13.688 -13.873 1.00 0.00 H new ATOM 0 HA VAL A 375 87.686 12.574 -11.288 1.00 0.00 H new ATOM 0 HB VAL A 375 85.950 13.075 -13.744 1.00 0.00 H new ATOM 0 HG11 VAL A 375 84.173 13.321 -12.034 1.00 0.00 H new ATOM 0 HG12 VAL A 375 84.942 11.720 -11.930 1.00 0.00 H new ATOM 0 HG13 VAL A 375 85.360 12.986 -10.752 1.00 0.00 H new ATOM 0 HG21 VAL A 375 85.513 15.307 -12.754 1.00 0.00 H new ATOM 0 HG22 VAL A 375 86.701 14.971 -11.472 1.00 0.00 H new ATOM 0 HG23 VAL A 375 87.234 15.116 -13.164 1.00 0.00 H new ATOM 811 N TYR A 376 87.406 10.165 -11.790 1.00 0.00 N ATOM 812 CA TYR A 376 87.282 8.730 -12.058 1.00 0.00 C ATOM 813 C TYR A 376 86.441 8.058 -10.978 1.00 0.00 C ATOM 814 O TYR A 376 86.315 8.574 -9.869 1.00 0.00 O ATOM 815 CB TYR A 376 88.671 8.085 -12.109 1.00 0.00 C ATOM 816 CG TYR A 376 89.290 8.096 -10.728 1.00 0.00 C ATOM 817 CD1 TYR A 376 89.746 9.299 -10.177 1.00 0.00 C ATOM 818 CD2 TYR A 376 89.407 6.905 -10.000 1.00 0.00 C ATOM 819 CE1 TYR A 376 90.318 9.311 -8.899 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.980 6.917 -8.724 1.00 0.00 C ATOM 821 CZ TYR A 376 90.435 8.121 -8.173 1.00 0.00 C ATOM 822 OH TYR A 376 90.999 8.133 -6.913 1.00 0.00 O ATOM 0 H TYR A 376 87.514 10.403 -10.804 1.00 0.00 H new ATOM 0 HA TYR A 376 86.789 8.598 -13.021 1.00 0.00 H new ATOM 0 HB2 TYR A 376 88.594 7.061 -12.475 1.00 0.00 H new ATOM 0 HB3 TYR A 376 89.308 8.626 -12.808 1.00 0.00 H new ATOM 0 HD1 TYR A 376 89.657 10.218 -10.737 1.00 0.00 H new ATOM 0 HD2 TYR A 376 89.054 5.977 -10.424 1.00 0.00 H new ATOM 0 HE1 TYR A 376 90.669 10.240 -8.474 1.00 0.00 H new ATOM 0 HE2 TYR A 376 90.071 5.998 -8.164 1.00 0.00 H new ATOM 0 HH TYR A 376 91.003 7.224 -6.548 1.00 0.00 H new ATOM 832 N GLU A 377 85.864 6.907 -11.313 1.00 0.00 N ATOM 833 CA GLU A 377 85.026 6.175 -10.366 1.00 0.00 C ATOM 834 C GLU A 377 85.876 5.342 -9.411 1.00 0.00 C ATOM 835 O GLU A 377 86.977 4.911 -9.752 1.00 0.00 O ATOM 836 CB GLU A 377 84.069 5.257 -11.127 1.00 0.00 C ATOM 837 CG GLU A 377 84.866 4.160 -11.836 1.00 0.00 C ATOM 838 CD GLU A 377 83.984 3.452 -12.858 1.00 0.00 C ATOM 839 OE1 GLU A 377 83.792 4.005 -13.930 1.00 0.00 O ATOM 840 OE2 GLU A 377 83.514 2.368 -12.557 1.00 0.00 O ATOM 0 H GLU A 377 85.960 6.463 -12.226 1.00 0.00 H new ATOM 0 HA GLU A 377 84.459 6.900 -9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 377 83.351 4.812 -10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 377 83.497 5.833 -11.854 1.00 0.00 H new ATOM 0 HG2 GLU A 377 85.735 4.593 -12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 377 85.240 3.442 -11.107 1.00 0.00 H new ATOM 847 N THR A 378 85.346 5.114 -8.212 1.00 0.00 N ATOM 848 CA THR A 378 86.048 4.327 -7.204 1.00 0.00 C ATOM 849 C THR A 378 85.093 3.954 -6.072 1.00 0.00 C ATOM 850 O THR A 378 83.878 4.097 -6.205 1.00 0.00 O ATOM 851 CB THR A 378 87.235 5.115 -6.644 1.00 0.00 C ATOM 852 OG1 THR A 378 87.828 4.382 -5.581 1.00 0.00 O ATOM 853 CG2 THR A 378 86.756 6.471 -6.124 1.00 0.00 C ATOM 0 H THR A 378 84.434 5.463 -7.916 1.00 0.00 H new ATOM 0 HA THR A 378 86.420 3.416 -7.672 1.00 0.00 H new ATOM 0 HB THR A 378 87.969 5.272 -7.434 1.00 0.00 H new ATOM 0 HG1 THR A 378 88.589 4.884 -5.222 1.00 0.00 H new ATOM 0 HG21 THR A 378 87.604 7.028 -5.726 1.00 0.00 H new ATOM 0 HG22 THR A 378 86.302 7.034 -6.940 1.00 0.00 H new ATOM 0 HG23 THR A 378 86.020 6.319 -5.335 1.00 0.00 H new ATOM 861 N THR A 379 85.648 3.476 -4.957 1.00 0.00 N ATOM 862 CA THR A 379 84.836 3.082 -3.799 1.00 0.00 C ATOM 863 C THR A 379 85.164 3.959 -2.595 1.00 0.00 C ATOM 864 O THR A 379 86.225 4.582 -2.540 1.00 0.00 O ATOM 865 CB THR A 379 85.108 1.618 -3.449 1.00 0.00 C ATOM 866 OG1 THR A 379 86.405 1.502 -2.880 1.00 0.00 O ATOM 867 CG2 THR A 379 85.025 0.764 -4.715 1.00 0.00 C ATOM 0 H THR A 379 86.652 3.352 -4.829 1.00 0.00 H new ATOM 0 HA THR A 379 83.784 3.209 -4.054 1.00 0.00 H new ATOM 0 HB THR A 379 84.364 1.271 -2.732 1.00 0.00 H new ATOM 0 HG1 THR A 379 86.580 0.565 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 379 85.219 -0.279 -4.464 1.00 0.00 H new ATOM 0 HG22 THR A 379 84.029 0.853 -5.150 1.00 0.00 H new ATOM 0 HG23 THR A 379 85.767 1.108 -5.435 1.00 0.00 H new ATOM 875 N ARG A 380 84.252 3.995 -1.627 1.00 0.00 N ATOM 876 CA ARG A 380 84.457 4.790 -0.422 1.00 0.00 C ATOM 877 C ARG A 380 83.345 4.517 0.586 1.00 0.00 C ATOM 878 O ARG A 380 82.252 5.074 0.483 1.00 0.00 O ATOM 879 CB ARG A 380 84.483 6.282 -0.766 1.00 0.00 C ATOM 880 CG ARG A 380 85.062 7.066 0.415 1.00 0.00 C ATOM 881 CD ARG A 380 84.811 8.561 0.213 1.00 0.00 C ATOM 882 NE ARG A 380 83.383 8.820 0.076 1.00 0.00 N ATOM 883 CZ ARG A 380 82.581 8.825 1.137 1.00 0.00 C ATOM 884 NH1 ARG A 380 83.070 8.594 2.324 1.00 0.00 N ATOM 885 NH2 ARG A 380 81.307 9.062 0.989 1.00 0.00 N ATOM 0 H ARG A 380 83.369 3.486 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 380 85.415 4.509 0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 380 85.085 6.450 -1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 380 83.476 6.632 -0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 380 84.603 6.733 1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 380 86.132 6.875 0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 380 85.210 9.121 1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 380 85.337 8.908 -0.676 1.00 0.00 H new ATOM 0 HE ARG A 380 82.992 9.000 -0.849 1.00 0.00 H new ATOM 0 HH11 ARG A 380 84.067 8.410 2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 380 82.456 8.598 3.138 1.00 0.00 H new ATOM 0 HH21 ARG A 380 80.927 9.243 0.060 1.00 0.00 H new ATOM 0 HH22 ARG A 380 80.691 9.066 1.802 1.00 0.00 H new ATOM 899 N ASN A 381 83.628 3.657 1.560 1.00 0.00 N ATOM 900 CA ASN A 381 82.637 3.320 2.577 1.00 0.00 C ATOM 901 C ASN A 381 81.393 2.715 1.931 1.00 0.00 C ATOM 902 O ASN A 381 80.324 3.326 1.936 1.00 0.00 O ATOM 903 CB ASN A 381 82.248 4.572 3.365 1.00 0.00 C ATOM 904 CG ASN A 381 83.500 5.344 3.768 1.00 0.00 C ATOM 905 OD1 ASN A 381 83.502 6.575 3.757 1.00 0.00 O ATOM 906 ND2 ASN A 381 84.572 4.690 4.126 1.00 0.00 N ATOM 0 H ASN A 381 84.526 3.185 1.667 1.00 0.00 H new ATOM 0 HA ASN A 381 83.075 2.587 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 381 81.599 5.205 2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 381 81.682 4.292 4.253 1.00 0.00 H new ATOM 0 HD21 ASN A 381 85.413 5.199 4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 381 84.568 3.670 4.134 1.00 0.00 H new ATOM 913 N GLY A 382 81.548 1.509 1.385 1.00 0.00 N ATOM 914 CA GLY A 382 80.439 0.803 0.736 1.00 0.00 C ATOM 915 C GLY A 382 79.483 1.772 0.042 1.00 0.00 C ATOM 916 O GLY A 382 78.265 1.615 0.113 1.00 0.00 O ATOM 0 H GLY A 382 82.431 0.999 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 382 80.834 0.096 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 382 79.893 0.222 1.479 1.00 0.00 H new ATOM 920 N GLN A 383 80.047 2.779 -0.622 1.00 0.00 N ATOM 921 CA GLN A 383 79.241 3.780 -1.321 1.00 0.00 C ATOM 922 C GLN A 383 80.012 4.341 -2.522 1.00 0.00 C ATOM 923 O GLN A 383 80.854 5.224 -2.353 1.00 0.00 O ATOM 924 CB GLN A 383 78.907 4.925 -0.362 1.00 0.00 C ATOM 925 CG GLN A 383 77.976 5.920 -1.057 1.00 0.00 C ATOM 926 CD GLN A 383 77.520 6.986 -0.067 1.00 0.00 C ATOM 927 OE1 GLN A 383 76.380 7.447 -0.132 1.00 0.00 O ATOM 928 NE2 GLN A 383 78.346 7.407 0.851 1.00 0.00 N ATOM 0 H GLN A 383 81.054 2.924 -0.691 1.00 0.00 H new ATOM 0 HA GLN A 383 78.324 3.308 -1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 383 78.431 4.533 0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 383 79.822 5.427 -0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 383 78.491 6.388 -1.896 1.00 0.00 H new ATOM 0 HG3 GLN A 383 77.111 5.397 -1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 383 79.290 7.023 0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 383 78.048 8.120 1.517 1.00 0.00 H new ATOM 937 N PRO A 384 79.761 3.861 -3.723 1.00 0.00 N ATOM 938 CA PRO A 384 80.476 4.355 -4.936 1.00 0.00 C ATOM 939 C PRO A 384 80.605 5.877 -4.952 1.00 0.00 C ATOM 940 O PRO A 384 79.640 6.597 -4.692 1.00 0.00 O ATOM 941 CB PRO A 384 79.606 3.850 -6.089 1.00 0.00 C ATOM 942 CG PRO A 384 79.001 2.586 -5.571 1.00 0.00 C ATOM 943 CD PRO A 384 78.781 2.810 -4.070 1.00 0.00 C ATOM 0 HA PRO A 384 81.504 3.997 -4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 384 78.839 4.577 -6.356 1.00 0.00 H new ATOM 0 HB3 PRO A 384 80.200 3.669 -6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 384 78.060 2.368 -6.076 1.00 0.00 H new ATOM 0 HG3 PRO A 384 79.661 1.736 -5.747 1.00 0.00 H new ATOM 0 HD2 PRO A 384 77.760 3.129 -3.859 1.00 0.00 H new ATOM 0 HD3 PRO A 384 78.954 1.897 -3.500 1.00 0.00 H new ATOM 951 N TRP A 385 81.808 6.355 -5.252 1.00 0.00 N ATOM 952 CA TRP A 385 82.074 7.790 -5.293 1.00 0.00 C ATOM 953 C TRP A 385 83.233 8.072 -6.251 1.00 0.00 C ATOM 954 O TRP A 385 84.081 7.212 -6.481 1.00 0.00 O ATOM 955 CB TRP A 385 82.401 8.283 -3.870 1.00 0.00 C ATOM 956 CG TRP A 385 83.191 9.559 -3.910 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.454 9.696 -3.451 1.00 0.00 C ATOM 958 CD2 TRP A 385 82.799 10.866 -4.424 1.00 0.00 C ATOM 959 NE1 TRP A 385 84.865 10.999 -3.655 1.00 0.00 N ATOM 960 CE2 TRP A 385 83.881 11.760 -4.249 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.624 11.357 -5.017 1.00 0.00 C ATOM 962 CZ2 TRP A 385 83.803 13.094 -4.650 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.540 12.700 -5.420 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.630 13.567 -5.237 1.00 0.00 C ATOM 0 H TRP A 385 82.615 5.770 -5.470 1.00 0.00 H new ATOM 0 HA TRP A 385 81.196 8.324 -5.656 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.476 8.441 -3.315 1.00 0.00 H new ATOM 0 HB3 TRP A 385 82.966 7.518 -3.337 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.046 8.914 -2.998 1.00 0.00 H new ATOM 0 HE1 TRP A 385 85.785 11.355 -3.397 1.00 0.00 H new ATOM 0 HE3 TRP A 385 80.781 10.698 -5.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.645 13.755 -4.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.632 13.068 -5.873 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.560 14.598 -5.550 1.00 0.00 H new ATOM 975 N TYR A 386 83.255 9.281 -6.816 1.00 0.00 N ATOM 976 CA TYR A 386 84.309 9.671 -7.757 1.00 0.00 C ATOM 977 C TYR A 386 85.262 10.680 -7.122 1.00 0.00 C ATOM 978 O TYR A 386 84.938 11.861 -6.995 1.00 0.00 O ATOM 979 CB TYR A 386 83.680 10.284 -9.009 1.00 0.00 C ATOM 980 CG TYR A 386 82.506 9.437 -9.447 1.00 0.00 C ATOM 981 CD1 TYR A 386 81.309 9.475 -8.723 1.00 0.00 C ATOM 982 CD2 TYR A 386 82.615 8.614 -10.575 1.00 0.00 C ATOM 983 CE1 TYR A 386 80.221 8.691 -9.125 1.00 0.00 C ATOM 984 CE2 TYR A 386 81.528 7.829 -10.977 1.00 0.00 C ATOM 985 CZ TYR A 386 80.331 7.869 -10.254 1.00 0.00 C ATOM 986 OH TYR A 386 79.258 7.095 -10.651 1.00 0.00 O ATOM 0 H TYR A 386 82.558 10.005 -6.640 1.00 0.00 H new ATOM 0 HA TYR A 386 84.876 8.779 -8.025 1.00 0.00 H new ATOM 0 HB2 TYR A 386 83.351 11.302 -8.803 1.00 0.00 H new ATOM 0 HB3 TYR A 386 84.418 10.343 -9.809 1.00 0.00 H new ATOM 0 HD1 TYR A 386 81.224 10.110 -7.853 1.00 0.00 H new ATOM 0 HD2 TYR A 386 83.538 8.585 -11.135 1.00 0.00 H new ATOM 0 HE1 TYR A 386 79.298 8.720 -8.565 1.00 0.00 H new ATOM 0 HE2 TYR A 386 81.613 7.192 -11.845 1.00 0.00 H new ATOM 0 HH TYR A 386 79.501 6.585 -11.452 1.00 0.00 H new ATOM 996 N VAL A 387 86.441 10.205 -6.726 1.00 0.00 N ATOM 997 CA VAL A 387 87.444 11.068 -6.106 1.00 0.00 C ATOM 998 C VAL A 387 88.316 11.721 -7.174 1.00 0.00 C ATOM 999 O VAL A 387 88.446 11.202 -8.284 1.00 0.00 O ATOM 1000 CB VAL A 387 88.336 10.251 -5.166 1.00 0.00 C ATOM 1001 CG1 VAL A 387 89.274 11.192 -4.409 1.00 0.00 C ATOM 1002 CG2 VAL A 387 87.476 9.479 -4.162 1.00 0.00 C ATOM 0 H VAL A 387 86.725 9.230 -6.823 1.00 0.00 H new ATOM 0 HA VAL A 387 86.925 11.841 -5.539 1.00 0.00 H new ATOM 0 HB VAL A 387 88.919 9.543 -5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 387 89.909 10.612 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 387 89.897 11.735 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 387 88.686 11.901 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 387 88.120 8.902 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 387 86.885 10.181 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 387 86.809 8.804 -4.698 1.00 0.00 H new ATOM 1012 N LEU A 388 88.918 12.861 -6.832 1.00 0.00 N ATOM 1013 CA LEU A 388 89.787 13.588 -7.766 1.00 0.00 C ATOM 1014 C LEU A 388 91.231 13.568 -7.261 1.00 0.00 C ATOM 1015 O LEU A 388 91.492 13.244 -6.102 1.00 0.00 O ATOM 1016 CB LEU A 388 89.302 15.046 -7.901 1.00 0.00 C ATOM 1017 CG LEU A 388 88.286 15.172 -9.044 1.00 0.00 C ATOM 1018 CD1 LEU A 388 87.056 14.308 -8.749 1.00 0.00 C ATOM 1019 CD2 LEU A 388 87.863 16.639 -9.181 1.00 0.00 C ATOM 0 H LEU A 388 88.822 13.302 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 388 89.745 13.103 -8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.848 15.372 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 388 90.152 15.702 -8.088 1.00 0.00 H new ATOM 0 HG LEU A 388 88.743 14.831 -9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 388 86.340 14.403 -9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 388 87.359 13.265 -8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 388 86.593 14.640 -7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 388 87.141 16.735 -9.992 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.409 16.975 -8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 388 88.738 17.251 -9.400 1.00 0.00 H new ATOM 1031 N VAL A 389 92.162 13.921 -8.143 1.00 0.00 N ATOM 1032 CA VAL A 389 93.578 13.949 -7.789 1.00 0.00 C ATOM 1033 C VAL A 389 94.331 14.909 -8.707 1.00 0.00 C ATOM 1034 O VAL A 389 94.062 14.971 -9.907 1.00 0.00 O ATOM 1035 CB VAL A 389 94.183 12.548 -7.912 1.00 0.00 C ATOM 1036 CG1 VAL A 389 93.587 11.624 -6.846 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.876 11.984 -9.302 1.00 0.00 C ATOM 0 H VAL A 389 91.962 14.191 -9.106 1.00 0.00 H new ATOM 0 HA VAL A 389 93.669 14.290 -6.758 1.00 0.00 H new ATOM 0 HB VAL A 389 95.262 12.610 -7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 389 94.023 10.630 -6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.806 12.023 -5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 389 92.507 11.561 -6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 389 94.306 10.986 -9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.796 11.928 -9.442 1.00 0.00 H new ATOM 0 HG23 VAL A 389 94.307 12.635 -10.062 1.00 0.00 H new ATOM 1047 N SER A 390 95.274 15.654 -8.137 1.00 0.00 N ATOM 1048 CA SER A 390 96.060 16.606 -8.918 1.00 0.00 C ATOM 1049 C SER A 390 97.229 15.901 -9.599 1.00 0.00 C ATOM 1050 O SER A 390 98.295 15.732 -9.007 1.00 0.00 O ATOM 1051 CB SER A 390 96.593 17.712 -8.006 1.00 0.00 C ATOM 1052 OG SER A 390 97.160 18.744 -8.803 1.00 0.00 O ATOM 0 H SER A 390 95.512 15.618 -7.146 1.00 0.00 H new ATOM 0 HA SER A 390 95.416 17.042 -9.682 1.00 0.00 H new ATOM 0 HB2 SER A 390 95.787 18.113 -7.391 1.00 0.00 H new ATOM 0 HB3 SER A 390 97.343 17.309 -7.325 1.00 0.00 H new ATOM 0 HG SER A 390 97.501 19.456 -8.222 1.00 0.00 H new ATOM 1058 N GLY A 391 97.021 15.492 -10.847 1.00 0.00 N ATOM 1059 CA GLY A 391 98.066 14.804 -11.596 1.00 0.00 C ATOM 1060 C GLY A 391 98.697 13.700 -10.757 1.00 0.00 C ATOM 1061 O GLY A 391 98.007 12.795 -10.284 1.00 0.00 O ATOM 0 H GLY A 391 96.147 15.623 -11.357 1.00 0.00 H new ATOM 0 HA2 GLY A 391 97.646 14.379 -12.508 1.00 0.00 H new ATOM 0 HA3 GLY A 391 98.831 15.518 -11.900 1.00 0.00 H new ATOM 1065 N VAL A 392 100.014 13.776 -10.576 1.00 0.00 N ATOM 1066 CA VAL A 392 100.733 12.775 -9.790 1.00 0.00 C ATOM 1067 C VAL A 392 101.979 13.385 -9.157 1.00 0.00 C ATOM 1068 O VAL A 392 102.681 14.179 -9.782 1.00 0.00 O ATOM 1069 CB VAL A 392 101.136 11.602 -10.684 1.00 0.00 C ATOM 1070 CG1 VAL A 392 102.031 12.107 -11.818 1.00 0.00 C ATOM 1071 CG2 VAL A 392 101.901 10.569 -9.854 1.00 0.00 C ATOM 0 H VAL A 392 100.602 14.515 -10.960 1.00 0.00 H new ATOM 0 HA VAL A 392 100.074 12.419 -8.998 1.00 0.00 H new ATOM 0 HB VAL A 392 100.242 11.142 -11.105 1.00 0.00 H new ATOM 0 HG11 VAL A 392 102.318 11.270 -12.455 1.00 0.00 H new ATOM 0 HG12 VAL A 392 101.488 12.844 -12.410 1.00 0.00 H new ATOM 0 HG13 VAL A 392 102.926 12.567 -11.398 1.00 0.00 H new ATOM 0 HG21 VAL A 392 102.189 9.732 -10.490 1.00 0.00 H new ATOM 0 HG22 VAL A 392 102.795 11.030 -9.434 1.00 0.00 H new ATOM 0 HG23 VAL A 392 101.265 10.208 -9.046 1.00 0.00 H new ATOM 1081 N TYR A 393 102.247 13.003 -7.908 1.00 0.00 N ATOM 1082 CA TYR A 393 103.415 13.507 -7.181 1.00 0.00 C ATOM 1083 C TYR A 393 104.471 12.416 -7.045 1.00 0.00 C ATOM 1084 O TYR A 393 104.168 11.294 -6.635 1.00 0.00 O ATOM 1085 CB TYR A 393 102.994 13.982 -5.789 1.00 0.00 C ATOM 1086 CG TYR A 393 102.168 15.242 -5.914 1.00 0.00 C ATOM 1087 CD1 TYR A 393 102.768 16.430 -6.348 1.00 0.00 C ATOM 1088 CD2 TYR A 393 100.802 15.223 -5.596 1.00 0.00 C ATOM 1089 CE1 TYR A 393 102.004 17.598 -6.464 1.00 0.00 C ATOM 1090 CE2 TYR A 393 100.040 16.391 -5.713 1.00 0.00 C ATOM 1091 CZ TYR A 393 100.641 17.579 -6.147 1.00 0.00 C ATOM 1092 OH TYR A 393 99.889 18.731 -6.262 1.00 0.00 O ATOM 0 H TYR A 393 101.673 12.347 -7.378 1.00 0.00 H new ATOM 0 HA TYR A 393 103.838 14.341 -7.741 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.418 13.205 -5.287 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.875 14.172 -5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 393 103.820 16.446 -6.593 1.00 0.00 H new ATOM 0 HD2 TYR A 393 100.338 14.307 -5.261 1.00 0.00 H new ATOM 0 HE1 TYR A 393 102.467 18.514 -6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 393 98.988 16.376 -5.469 1.00 0.00 H new ATOM 0 HH TYR A 393 98.962 18.544 -6.004 1.00 0.00 H new ATOM 1102 N ALA A 394 105.709 12.748 -7.392 1.00 0.00 N ATOM 1103 CA ALA A 394 106.801 11.786 -7.305 1.00 0.00 C ATOM 1104 C ALA A 394 107.057 11.395 -5.853 1.00 0.00 C ATOM 1105 O ALA A 394 107.609 10.330 -5.575 1.00 0.00 O ATOM 1106 CB ALA A 394 108.073 12.384 -7.907 1.00 0.00 C ATOM 0 H ALA A 394 105.981 13.670 -7.734 1.00 0.00 H new ATOM 0 HA ALA A 394 106.520 10.894 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 394 108.884 11.659 -7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 394 107.898 12.634 -8.953 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.345 13.286 -7.359 1.00 0.00 H new ATOM 1112 N SER A 395 106.654 12.265 -4.929 1.00 0.00 N ATOM 1113 CA SER A 395 106.845 12.002 -3.504 1.00 0.00 C ATOM 1114 C SER A 395 105.775 12.713 -2.680 1.00 0.00 C ATOM 1115 O SER A 395 105.214 13.720 -3.109 1.00 0.00 O ATOM 1116 CB SER A 395 108.229 12.483 -3.067 1.00 0.00 C ATOM 1117 OG SER A 395 109.224 11.773 -3.793 1.00 0.00 O ATOM 0 H SER A 395 106.196 13.152 -5.139 1.00 0.00 H new ATOM 0 HA SER A 395 106.763 10.928 -3.337 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.327 13.554 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 395 108.361 12.324 -1.997 1.00 0.00 H new ATOM 0 HG SER A 395 110.113 12.080 -3.516 1.00 0.00 H new ATOM 1123 N LYS A 396 105.498 12.177 -1.495 1.00 0.00 N ATOM 1124 CA LYS A 396 104.492 12.764 -0.617 1.00 0.00 C ATOM 1125 C LYS A 396 104.951 14.125 -0.102 1.00 0.00 C ATOM 1126 O LYS A 396 104.151 14.910 0.405 1.00 0.00 O ATOM 1127 CB LYS A 396 104.227 11.833 0.567 1.00 0.00 C ATOM 1128 CG LYS A 396 103.228 12.490 1.524 1.00 0.00 C ATOM 1129 CD LYS A 396 102.663 11.436 2.482 1.00 0.00 C ATOM 1130 CE LYS A 396 103.792 10.842 3.330 1.00 0.00 C ATOM 1131 NZ LYS A 396 104.529 9.822 2.531 1.00 0.00 N ATOM 0 H LYS A 396 105.953 11.343 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 396 103.574 12.898 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 396 103.834 10.880 0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 396 105.159 11.618 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 396 103.718 13.283 2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 396 102.419 12.953 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 396 101.910 11.886 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 396 102.167 10.647 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 396 104.473 11.630 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 396 103.383 10.387 4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 104.809 9.033 3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 103.915 9.466 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 105.379 10.254 2.115 1.00 0.00 H new ATOM 1145 N GLU A 397 106.245 14.397 -0.233 1.00 0.00 N ATOM 1146 CA GLU A 397 106.800 15.666 0.226 1.00 0.00 C ATOM 1147 C GLU A 397 106.144 16.836 -0.499 1.00 0.00 C ATOM 1148 O GLU A 397 105.288 17.524 0.059 1.00 0.00 O ATOM 1149 CB GLU A 397 108.311 15.693 -0.015 1.00 0.00 C ATOM 1150 CG GLU A 397 108.943 14.424 0.558 1.00 0.00 C ATOM 1151 CD GLU A 397 108.668 14.334 2.054 1.00 0.00 C ATOM 1152 OE1 GLU A 397 108.796 15.348 2.721 1.00 0.00 O ATOM 1153 OE2 GLU A 397 108.332 13.254 2.512 1.00 0.00 O ATOM 0 H GLU A 397 106.925 13.761 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 397 106.601 15.761 1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 397 108.518 15.765 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 397 108.749 16.574 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 397 108.539 13.547 0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 397 110.018 14.430 0.377 1.00 0.00 H new ATOM 1160 N GLU A 398 106.551 17.060 -1.744 1.00 0.00 N ATOM 1161 CA GLU A 398 105.999 18.154 -2.536 1.00 0.00 C ATOM 1162 C GLU A 398 104.474 18.097 -2.544 1.00 0.00 C ATOM 1163 O GLU A 398 103.806 19.125 -2.650 1.00 0.00 O ATOM 1164 CB GLU A 398 106.521 18.072 -3.972 1.00 0.00 C ATOM 1165 CG GLU A 398 106.385 16.638 -4.485 1.00 0.00 C ATOM 1166 CD GLU A 398 106.578 16.604 -5.997 1.00 0.00 C ATOM 1167 OE1 GLU A 398 107.184 17.525 -6.518 1.00 0.00 O ATOM 1168 OE2 GLU A 398 106.116 15.656 -6.612 1.00 0.00 O ATOM 0 H GLU A 398 107.257 16.502 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 398 106.313 19.096 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 398 105.961 18.753 -4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 398 107.564 18.385 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 398 107.124 15.999 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 398 105.403 16.242 -4.227 1.00 0.00 H new ATOM 1175 N ALA A 399 103.931 16.890 -2.432 1.00 0.00 N ATOM 1176 CA ALA A 399 102.483 16.711 -2.432 1.00 0.00 C ATOM 1177 C ALA A 399 101.864 17.326 -1.179 1.00 0.00 C ATOM 1178 O ALA A 399 100.678 17.656 -1.160 1.00 0.00 O ATOM 1179 CB ALA A 399 102.144 15.219 -2.499 1.00 0.00 C ATOM 0 H ALA A 399 104.466 16.027 -2.341 1.00 0.00 H new ATOM 0 HA ALA A 399 102.072 17.216 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.061 15.091 -2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.559 14.792 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.570 14.710 -1.634 1.00 0.00 H new ATOM 1185 N LYS A 400 102.672 17.473 -0.135 1.00 0.00 N ATOM 1186 CA LYS A 400 102.190 18.047 1.116 1.00 0.00 C ATOM 1187 C LYS A 400 101.840 19.521 0.933 1.00 0.00 C ATOM 1188 O LYS A 400 100.725 19.946 1.237 1.00 0.00 O ATOM 1189 CB LYS A 400 103.259 17.906 2.203 1.00 0.00 C ATOM 1190 CG LYS A 400 102.685 18.365 3.544 1.00 0.00 C ATOM 1191 CD LYS A 400 103.672 18.031 4.663 1.00 0.00 C ATOM 1192 CE LYS A 400 103.197 18.666 5.971 1.00 0.00 C ATOM 1193 NZ LYS A 400 101.725 18.479 6.109 1.00 0.00 N ATOM 0 H LYS A 400 103.656 17.205 -0.129 1.00 0.00 H new ATOM 0 HA LYS A 400 101.292 17.507 1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 400 103.588 16.869 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 400 104.135 18.502 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 400 102.494 19.438 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 400 101.729 17.875 3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 400 103.753 16.950 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 400 104.666 18.399 4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 400 103.713 18.211 6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 400 103.442 19.728 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 101.450 18.609 7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 101.229 19.178 5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 101.466 17.520 5.801 1.00 0.00 H new ATOM 1207 N LYS A 401 102.798 20.295 0.436 1.00 0.00 N ATOM 1208 CA LYS A 401 102.581 21.720 0.219 1.00 0.00 C ATOM 1209 C LYS A 401 101.460 21.947 -0.792 1.00 0.00 C ATOM 1210 O LYS A 401 101.100 23.085 -1.087 1.00 0.00 O ATOM 1211 CB LYS A 401 103.868 22.373 -0.290 1.00 0.00 C ATOM 1212 CG LYS A 401 105.052 21.906 0.563 1.00 0.00 C ATOM 1213 CD LYS A 401 106.252 22.829 0.329 1.00 0.00 C ATOM 1214 CE LYS A 401 106.714 22.724 -1.127 1.00 0.00 C ATOM 1215 NZ LYS A 401 105.823 23.546 -1.993 1.00 0.00 N ATOM 0 H LYS A 401 103.727 19.962 0.177 1.00 0.00 H new ATOM 0 HA LYS A 401 102.294 22.171 1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 401 104.033 22.110 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 401 103.780 23.458 -0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 401 104.777 21.911 1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 401 105.315 20.880 0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 401 105.980 23.859 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 401 107.067 22.557 0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 401 107.745 23.067 -1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 401 106.695 21.684 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 105.230 22.920 -2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 105.215 24.144 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 106.401 24.149 -2.613 1.00 0.00 H new ATOM 1229 N ALA A 402 100.915 20.855 -1.320 1.00 0.00 N ATOM 1230 CA ALA A 402 99.837 20.948 -2.299 1.00 0.00 C ATOM 1231 C ALA A 402 98.616 21.636 -1.695 1.00 0.00 C ATOM 1232 O ALA A 402 98.065 22.569 -2.279 1.00 0.00 O ATOM 1233 CB ALA A 402 99.449 19.550 -2.783 1.00 0.00 C ATOM 0 H ALA A 402 101.199 19.903 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 402 100.191 21.541 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 402 98.644 19.628 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 402 100.313 19.072 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 402 99.113 18.952 -1.936 1.00 0.00 H new ATOM 1239 N VAL A 403 98.197 21.168 -0.524 1.00 0.00 N ATOM 1240 CA VAL A 403 97.038 21.743 0.149 1.00 0.00 C ATOM 1241 C VAL A 403 97.137 23.265 0.193 1.00 0.00 C ATOM 1242 O VAL A 403 96.193 23.968 -0.165 1.00 0.00 O ATOM 1243 CB VAL A 403 96.938 21.198 1.573 1.00 0.00 C ATOM 1244 CG1 VAL A 403 95.750 21.845 2.287 1.00 0.00 C ATOM 1245 CG2 VAL A 403 96.737 19.681 1.525 1.00 0.00 C ATOM 0 H VAL A 403 98.639 20.397 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 403 96.146 21.466 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 403 97.856 21.428 2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 403 95.680 21.455 3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 403 95.891 22.925 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 403 94.832 21.616 1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 403 96.666 19.291 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 403 95.819 19.453 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 403 97.583 19.218 1.017 1.00 0.00 H new ATOM 1255 N SER A 404 98.285 23.765 0.637 1.00 0.00 N ATOM 1256 CA SER A 404 98.496 25.206 0.727 1.00 0.00 C ATOM 1257 C SER A 404 98.048 25.900 -0.556 1.00 0.00 C ATOM 1258 O SER A 404 97.379 26.932 -0.514 1.00 0.00 O ATOM 1259 CB SER A 404 99.975 25.502 0.978 1.00 0.00 C ATOM 1260 OG SER A 404 100.681 25.442 -0.253 1.00 0.00 O ATOM 0 H SER A 404 99.078 23.199 0.938 1.00 0.00 H new ATOM 0 HA SER A 404 97.901 25.587 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 404 100.089 26.488 1.428 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.388 24.780 1.683 1.00 0.00 H new ATOM 0 HG SER A 404 101.110 24.565 -0.342 1.00 0.00 H new ATOM 1266 N THR A 405 98.427 25.330 -1.695 1.00 0.00 N ATOM 1267 CA THR A 405 98.063 25.908 -2.984 1.00 0.00 C ATOM 1268 C THR A 405 96.549 26.058 -3.103 1.00 0.00 C ATOM 1269 O THR A 405 96.047 27.137 -3.419 1.00 0.00 O ATOM 1270 CB THR A 405 98.581 25.024 -4.120 1.00 0.00 C ATOM 1271 OG1 THR A 405 97.757 23.871 -4.234 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.020 24.599 -3.824 1.00 0.00 C ATOM 0 H THR A 405 98.981 24.476 -1.753 1.00 0.00 H new ATOM 0 HA THR A 405 98.519 26.896 -3.055 1.00 0.00 H new ATOM 0 HB THR A 405 98.556 25.583 -5.056 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.129 23.147 -3.688 1.00 0.00 H new ATOM 0 HG21 THR A 405 100.387 23.969 -4.634 1.00 0.00 H new ATOM 0 HG22 THR A 405 100.650 25.484 -3.738 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.049 24.040 -2.889 1.00 0.00 H new ATOM 1280 N LEU A 406 95.826 24.970 -2.856 1.00 0.00 N ATOM 1281 CA LEU A 406 94.370 24.999 -2.948 1.00 0.00 C ATOM 1282 C LEU A 406 93.807 26.156 -2.113 1.00 0.00 C ATOM 1283 O LEU A 406 94.379 26.507 -1.082 1.00 0.00 O ATOM 1284 CB LEU A 406 93.788 23.673 -2.443 1.00 0.00 C ATOM 1285 CG LEU A 406 94.598 22.497 -3.002 1.00 0.00 C ATOM 1286 CD1 LEU A 406 93.882 21.186 -2.670 1.00 0.00 C ATOM 1287 CD2 LEU A 406 94.728 22.634 -4.523 1.00 0.00 C ATOM 0 H LEU A 406 96.219 24.066 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 406 94.090 25.144 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 406 93.804 23.651 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 406 92.745 23.585 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 406 95.592 22.498 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 406 94.455 20.348 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 406 93.791 21.085 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 406 92.889 21.190 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 406 95.304 21.796 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 406 93.736 22.635 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 406 95.237 23.568 -4.762 1.00 0.00 H new ATOM 1299 N PRO A 407 92.710 26.754 -2.524 1.00 0.00 N ATOM 1300 CA PRO A 407 92.091 27.888 -1.771 1.00 0.00 C ATOM 1301 C PRO A 407 91.391 27.411 -0.499 1.00 0.00 C ATOM 1302 O PRO A 407 91.425 26.228 -0.166 1.00 0.00 O ATOM 1303 CB PRO A 407 91.089 28.473 -2.774 1.00 0.00 C ATOM 1304 CG PRO A 407 90.687 27.313 -3.623 1.00 0.00 C ATOM 1305 CD PRO A 407 91.933 26.428 -3.740 1.00 0.00 C ATOM 0 HA PRO A 407 92.827 28.615 -1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 407 90.229 28.910 -2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.542 29.264 -3.372 1.00 0.00 H new ATOM 0 HG2 PRO A 407 89.860 26.766 -3.171 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.350 27.645 -4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 407 91.671 25.371 -3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 407 92.497 26.648 -4.647 1.00 0.00 H new ATOM 1313 N ALA A 408 90.756 28.344 0.203 1.00 0.00 N ATOM 1314 CA ALA A 408 90.050 28.012 1.433 1.00 0.00 C ATOM 1315 C ALA A 408 88.854 27.111 1.137 1.00 0.00 C ATOM 1316 O ALA A 408 88.697 26.052 1.743 1.00 0.00 O ATOM 1317 CB ALA A 408 89.571 29.290 2.123 1.00 0.00 C ATOM 0 H ALA A 408 90.716 29.329 -0.057 1.00 0.00 H new ATOM 0 HA ALA A 408 90.737 27.481 2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 408 89.044 29.032 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.429 29.919 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 408 88.898 29.832 1.459 1.00 0.00 H new ATOM 1323 N ASP A 409 88.013 27.543 0.203 1.00 0.00 N ATOM 1324 CA ASP A 409 86.830 26.771 -0.168 1.00 0.00 C ATOM 1325 C ASP A 409 87.166 25.288 -0.301 1.00 0.00 C ATOM 1326 O ASP A 409 86.407 24.428 0.144 1.00 0.00 O ATOM 1327 CB ASP A 409 86.265 27.287 -1.493 1.00 0.00 C ATOM 1328 CG ASP A 409 85.951 28.775 -1.382 1.00 0.00 C ATOM 1329 OD1 ASP A 409 86.560 29.430 -0.551 1.00 0.00 O ATOM 1330 OD2 ASP A 409 85.104 29.240 -2.127 1.00 0.00 O ATOM 0 H ASP A 409 88.126 28.418 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 409 86.086 26.890 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 409 86.984 27.117 -2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 409 85.362 26.735 -1.752 1.00 0.00 H new ATOM 1335 N VAL A 410 88.308 24.995 -0.918 1.00 0.00 N ATOM 1336 CA VAL A 410 88.732 23.610 -1.104 1.00 0.00 C ATOM 1337 C VAL A 410 89.359 23.064 0.176 1.00 0.00 C ATOM 1338 O VAL A 410 89.009 21.976 0.632 1.00 0.00 O ATOM 1339 CB VAL A 410 89.739 23.521 -2.251 1.00 0.00 C ATOM 1340 CG1 VAL A 410 90.251 22.084 -2.374 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.056 23.930 -3.558 1.00 0.00 C ATOM 0 H VAL A 410 88.951 25.691 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 410 87.855 23.010 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 410 90.577 24.188 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 410 90.969 22.022 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 410 90.736 21.789 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 410 89.414 21.415 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 410 89.772 23.867 -4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 410 88.219 23.261 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 410 88.690 24.953 -3.473 1.00 0.00 H new ATOM 1351 N GLN A 411 90.282 23.827 0.754 1.00 0.00 N ATOM 1352 CA GLN A 411 90.942 23.403 1.984 1.00 0.00 C ATOM 1353 C GLN A 411 89.905 23.107 3.062 1.00 0.00 C ATOM 1354 O GLN A 411 90.123 22.274 3.941 1.00 0.00 O ATOM 1355 CB GLN A 411 91.898 24.495 2.470 1.00 0.00 C ATOM 1356 CG GLN A 411 92.756 23.951 3.613 1.00 0.00 C ATOM 1357 CD GLN A 411 93.760 25.008 4.059 1.00 0.00 C ATOM 1358 OE1 GLN A 411 93.598 25.612 5.120 1.00 0.00 O ATOM 1359 NE2 GLN A 411 94.795 25.268 3.310 1.00 0.00 N ATOM 0 H GLN A 411 90.587 24.732 0.395 1.00 0.00 H new ATOM 0 HA GLN A 411 91.511 22.496 1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 411 92.534 24.827 1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.333 25.364 2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 411 92.121 23.664 4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 411 93.281 23.052 3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 411 94.928 24.767 2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.472 25.973 3.602 1.00 0.00 H new ATOM 1368 N ALA A 412 88.772 23.798 2.984 1.00 0.00 N ATOM 1369 CA ALA A 412 87.702 23.602 3.954 1.00 0.00 C ATOM 1370 C ALA A 412 87.282 22.136 3.981 1.00 0.00 C ATOM 1371 O ALA A 412 86.930 21.598 5.031 1.00 0.00 O ATOM 1372 CB ALA A 412 86.500 24.475 3.591 1.00 0.00 C ATOM 0 H ALA A 412 88.572 24.493 2.265 1.00 0.00 H new ATOM 0 HA ALA A 412 88.067 23.887 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 412 85.705 24.322 4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 412 86.798 25.523 3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 412 86.139 24.203 2.599 1.00 0.00 H new ATOM 1378 N LYS A 413 87.324 21.497 2.816 1.00 0.00 N ATOM 1379 CA LYS A 413 86.949 20.091 2.706 1.00 0.00 C ATOM 1380 C LYS A 413 87.921 19.215 3.494 1.00 0.00 C ATOM 1381 O LYS A 413 87.791 17.991 3.518 1.00 0.00 O ATOM 1382 CB LYS A 413 86.947 19.672 1.231 1.00 0.00 C ATOM 1383 CG LYS A 413 86.626 18.169 1.103 1.00 0.00 C ATOM 1384 CD LYS A 413 86.027 17.866 -0.286 1.00 0.00 C ATOM 1385 CE LYS A 413 84.511 18.105 -0.273 1.00 0.00 C ATOM 1386 NZ LYS A 413 83.830 16.927 0.335 1.00 0.00 N ATOM 0 H LYS A 413 87.613 21.928 1.938 1.00 0.00 H new ATOM 0 HA LYS A 413 85.950 19.960 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 413 86.210 20.257 0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 413 87.919 19.883 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 413 87.533 17.583 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 413 85.924 17.873 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 413 86.496 18.500 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 413 86.237 16.833 -0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 413 84.279 19.006 0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 413 84.148 18.265 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 82.886 17.207 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 83.735 16.175 -0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 84.393 16.576 1.136 1.00 0.00 H new ATOM 1400 N ASN A 414 88.889 19.853 4.146 1.00 0.00 N ATOM 1401 CA ASN A 414 89.879 19.130 4.940 1.00 0.00 C ATOM 1402 C ASN A 414 90.605 18.077 4.104 1.00 0.00 C ATOM 1403 O ASN A 414 90.490 16.880 4.369 1.00 0.00 O ATOM 1404 CB ASN A 414 89.195 18.451 6.128 1.00 0.00 C ATOM 1405 CG ASN A 414 88.507 19.494 7.002 1.00 0.00 C ATOM 1406 OD1 ASN A 414 88.557 20.687 6.702 1.00 0.00 O ATOM 1407 ND2 ASN A 414 87.864 19.114 8.072 1.00 0.00 N ATOM 0 H ASN A 414 89.009 20.866 4.141 1.00 0.00 H new ATOM 0 HA ASN A 414 90.614 19.852 5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 414 88.464 17.725 5.771 1.00 0.00 H new ATOM 0 HB3 ASN A 414 89.930 17.901 6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 414 87.402 19.806 8.662 1.00 0.00 H new ATOM 0 HD22 ASN A 414 87.824 18.125 8.319 1.00 0.00 H new ATOM 1414 N PRO A 415 91.356 18.493 3.114 1.00 0.00 N ATOM 1415 CA PRO A 415 92.122 17.554 2.241 1.00 0.00 C ATOM 1416 C PRO A 415 93.016 16.619 3.057 1.00 0.00 C ATOM 1417 O PRO A 415 93.497 16.984 4.129 1.00 0.00 O ATOM 1418 CB PRO A 415 92.959 18.482 1.343 1.00 0.00 C ATOM 1419 CG PRO A 415 92.231 19.788 1.344 1.00 0.00 C ATOM 1420 CD PRO A 415 91.555 19.896 2.713 1.00 0.00 C ATOM 0 HA PRO A 415 91.467 16.894 1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 415 93.972 18.595 1.729 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.046 18.080 0.334 1.00 0.00 H new ATOM 0 HG2 PRO A 415 92.919 20.618 1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 415 91.494 19.824 0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 415 92.180 20.432 3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 415 90.609 20.433 2.651 1.00 0.00 H new ATOM 1428 N TRP A 416 93.238 15.413 2.538 1.00 0.00 N ATOM 1429 CA TRP A 416 94.080 14.436 3.225 1.00 0.00 C ATOM 1430 C TRP A 416 94.718 13.482 2.221 1.00 0.00 C ATOM 1431 O TRP A 416 94.312 13.423 1.059 1.00 0.00 O ATOM 1432 CB TRP A 416 93.247 13.643 4.234 1.00 0.00 C ATOM 1433 CG TRP A 416 92.203 12.850 3.515 1.00 0.00 C ATOM 1434 CD1 TRP A 416 91.207 13.376 2.764 1.00 0.00 C ATOM 1435 CD2 TRP A 416 92.031 11.404 3.469 1.00 0.00 C ATOM 1436 NE1 TRP A 416 90.436 12.343 2.259 1.00 0.00 N ATOM 1437 CE2 TRP A 416 90.904 11.109 2.665 1.00 0.00 C ATOM 1438 CE3 TRP A 416 92.736 10.330 4.040 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 90.492 9.796 2.437 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 92.325 9.006 3.812 1.00 0.00 C ATOM 1441 CH2 TRP A 416 91.205 8.741 3.012 1.00 0.00 C ATOM 0 H TRP A 416 92.850 15.091 1.651 1.00 0.00 H new ATOM 0 HA TRP A 416 94.870 14.971 3.753 1.00 0.00 H new ATOM 0 HB2 TRP A 416 93.891 12.977 4.808 1.00 0.00 H new ATOM 0 HB3 TRP A 416 92.776 14.322 4.945 1.00 0.00 H new ATOM 0 HD1 TRP A 416 91.041 14.429 2.588 1.00 0.00 H new ATOM 0 HE1 TRP A 416 89.621 12.477 1.660 1.00 0.00 H new ATOM 0 HE3 TRP A 416 93.600 10.524 4.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 89.628 9.596 1.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 92.875 8.189 4.255 1.00 0.00 H new ATOM 0 HH2 TRP A 416 90.893 7.721 2.840 1.00 0.00 H new ATOM 1452 N ALA A 417 95.720 12.737 2.677 1.00 0.00 N ATOM 1453 CA ALA A 417 96.410 11.788 1.810 1.00 0.00 C ATOM 1454 C ALA A 417 95.460 10.687 1.356 1.00 0.00 C ATOM 1455 O ALA A 417 94.363 10.538 1.894 1.00 0.00 O ATOM 1456 CB ALA A 417 97.600 11.175 2.550 1.00 0.00 C ATOM 0 H ALA A 417 96.070 12.771 3.634 1.00 0.00 H new ATOM 0 HA ALA A 417 96.769 12.322 0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 417 98.110 10.468 1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 417 98.293 11.964 2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 417 97.246 10.656 3.441 1.00 0.00 H new ATOM 1462 N LYS A 418 95.890 9.917 0.361 1.00 0.00 N ATOM 1463 CA LYS A 418 95.072 8.829 -0.163 1.00 0.00 C ATOM 1464 C LYS A 418 95.957 7.805 -0.887 1.00 0.00 C ATOM 1465 O LYS A 418 96.101 7.855 -2.108 1.00 0.00 O ATOM 1466 CB LYS A 418 94.016 9.407 -1.127 1.00 0.00 C ATOM 1467 CG LYS A 418 92.771 8.508 -1.174 1.00 0.00 C ATOM 1468 CD LYS A 418 93.122 7.166 -1.820 1.00 0.00 C ATOM 1469 CE LYS A 418 91.835 6.430 -2.198 1.00 0.00 C ATOM 1470 NZ LYS A 418 91.198 7.108 -3.363 1.00 0.00 N ATOM 0 H LYS A 418 96.795 10.025 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 418 94.567 8.323 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.734 10.410 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 418 94.441 9.500 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 418 92.389 8.347 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 418 91.979 8.998 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 418 93.736 7.326 -2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 418 93.710 6.561 -1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 418 92.056 5.392 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 418 91.149 6.417 -1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 90.579 6.436 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 90.634 7.916 -3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 91.935 7.446 -4.014 1.00 0.00 H new ATOM 1484 N PRO A 419 96.548 6.886 -0.163 1.00 0.00 N ATOM 1485 CA PRO A 419 97.433 5.841 -0.763 1.00 0.00 C ATOM 1486 C PRO A 419 96.792 5.167 -1.974 1.00 0.00 C ATOM 1487 O PRO A 419 95.590 4.897 -1.984 1.00 0.00 O ATOM 1488 CB PRO A 419 97.644 4.847 0.389 1.00 0.00 C ATOM 1489 CG PRO A 419 97.495 5.667 1.629 1.00 0.00 C ATOM 1490 CD PRO A 419 96.449 6.737 1.301 1.00 0.00 C ATOM 0 HA PRO A 419 98.366 6.256 -1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 419 96.910 4.041 0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 419 98.629 4.383 0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 419 97.173 5.051 2.469 1.00 0.00 H new ATOM 0 HG3 PRO A 419 98.444 6.122 1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 419 95.449 6.426 1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 419 96.661 7.675 1.814 1.00 0.00 H new ATOM 1498 N LEU A 420 97.603 4.898 -2.992 1.00 0.00 N ATOM 1499 CA LEU A 420 97.106 4.256 -4.203 1.00 0.00 C ATOM 1500 C LEU A 420 96.920 2.760 -3.971 1.00 0.00 C ATOM 1501 O LEU A 420 96.351 2.058 -4.807 1.00 0.00 O ATOM 1502 CB LEU A 420 98.090 4.479 -5.357 1.00 0.00 C ATOM 1503 CG LEU A 420 97.986 5.923 -5.863 1.00 0.00 C ATOM 1504 CD1 LEU A 420 98.471 6.898 -4.783 1.00 0.00 C ATOM 1505 CD2 LEU A 420 98.850 6.078 -7.120 1.00 0.00 C ATOM 0 H LEU A 420 98.600 5.113 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 420 96.143 4.698 -4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 420 99.107 4.274 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 420 97.875 3.784 -6.169 1.00 0.00 H new ATOM 0 HG LEU A 420 96.946 6.148 -6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 420 98.393 7.920 -5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 420 97.856 6.788 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 420 99.510 6.680 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 420 98.781 7.103 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 420 99.888 5.848 -6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 420 98.497 5.393 -7.891 1.00 0.00 H new ATOM 1517 N ARG A 421 97.406 2.278 -2.832 1.00 0.00 N ATOM 1518 CA ARG A 421 97.289 0.863 -2.500 1.00 0.00 C ATOM 1519 C ARG A 421 95.869 0.532 -2.052 1.00 0.00 C ATOM 1520 O ARG A 421 95.474 -0.634 -2.022 1.00 0.00 O ATOM 1521 CB ARG A 421 98.272 0.506 -1.383 1.00 0.00 C ATOM 1522 CG ARG A 421 99.706 0.678 -1.889 1.00 0.00 C ATOM 1523 CD ARG A 421 100.671 0.656 -0.702 1.00 0.00 C ATOM 1524 NE ARG A 421 102.046 0.514 -1.172 1.00 0.00 N ATOM 1525 CZ ARG A 421 102.517 -0.662 -1.571 1.00 0.00 C ATOM 1526 NH1 ARG A 421 101.747 -1.716 -1.549 1.00 0.00 N ATOM 1527 NH2 ARG A 421 103.751 -0.764 -1.986 1.00 0.00 N ATOM 0 H ARG A 421 97.882 2.842 -2.128 1.00 0.00 H new ATOM 0 HA ARG A 421 97.522 0.281 -3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 421 98.102 1.145 -0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 421 98.111 -0.522 -1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 421 99.955 -0.120 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 421 99.801 1.618 -2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 421 100.570 1.575 -0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 421 100.420 -0.169 -0.035 1.00 0.00 H new ATOM 0 HE ARG A 421 102.655 1.332 -1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 421 100.783 -1.637 -1.225 1.00 0.00 H new ATOM 0 HH12 ARG A 421 102.109 -2.619 -1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 421 104.353 0.059 -2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 421 104.113 -1.667 -2.292 1.00 0.00 H new ATOM 1541 N GLN A 422 95.107 1.564 -1.702 1.00 0.00 N ATOM 1542 CA GLN A 422 93.731 1.372 -1.253 1.00 0.00 C ATOM 1543 C GLN A 422 92.793 1.199 -2.442 1.00 0.00 C ATOM 1544 O GLN A 422 92.140 0.166 -2.584 1.00 0.00 O ATOM 1545 CB GLN A 422 93.283 2.572 -0.417 1.00 0.00 C ATOM 1546 CG GLN A 422 91.920 2.279 0.210 1.00 0.00 C ATOM 1547 CD GLN A 422 91.560 3.371 1.211 1.00 0.00 C ATOM 1548 OE1 GLN A 422 91.671 4.557 0.903 1.00 0.00 O ATOM 1549 NE2 GLN A 422 91.131 3.040 2.399 1.00 0.00 N ATOM 0 H GLN A 422 95.416 2.536 -1.720 1.00 0.00 H new ATOM 0 HA GLN A 422 93.693 0.469 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 422 94.016 2.779 0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 422 93.223 3.462 -1.043 1.00 0.00 H new ATOM 0 HG2 GLN A 422 91.158 2.221 -0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 422 91.941 1.310 0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 422 91.040 2.056 2.652 1.00 0.00 H new ATOM 0 HE22 GLN A 422 90.887 3.765 3.074 1.00 0.00 H new ATOM 1558 N VAL A 423 92.725 2.219 -3.294 1.00 0.00 N ATOM 1559 CA VAL A 423 91.859 2.168 -4.466 1.00 0.00 C ATOM 1560 C VAL A 423 92.035 0.850 -5.215 1.00 0.00 C ATOM 1561 O VAL A 423 91.242 0.515 -6.096 1.00 0.00 O ATOM 1562 CB VAL A 423 92.180 3.337 -5.399 1.00 0.00 C ATOM 1563 CG1 VAL A 423 93.639 3.245 -5.851 1.00 0.00 C ATOM 1564 CG2 VAL A 423 91.262 3.284 -6.624 1.00 0.00 C ATOM 0 H VAL A 423 93.256 3.085 -3.195 1.00 0.00 H new ATOM 0 HA VAL A 423 90.824 2.241 -4.132 1.00 0.00 H new ATOM 0 HB VAL A 423 92.022 4.276 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 423 93.867 4.078 -6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 423 94.293 3.286 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 423 93.798 2.305 -6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 423 91.492 4.118 -7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 423 91.417 2.344 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 423 90.223 3.352 -6.303 1.00 0.00 H new ATOM 1574 N GLN A 424 93.077 0.104 -4.860 1.00 0.00 N ATOM 1575 CA GLN A 424 93.345 -1.178 -5.505 1.00 0.00 C ATOM 1576 C GLN A 424 92.058 -1.979 -5.678 1.00 0.00 C ATOM 1577 O GLN A 424 91.998 -2.912 -6.479 1.00 0.00 O ATOM 1578 CB GLN A 424 94.342 -1.983 -4.670 1.00 0.00 C ATOM 1579 CG GLN A 424 95.723 -1.331 -4.755 1.00 0.00 C ATOM 1580 CD GLN A 424 96.354 -1.620 -6.113 1.00 0.00 C ATOM 1581 OE1 GLN A 424 96.192 -2.713 -6.654 1.00 0.00 O ATOM 1582 NE2 GLN A 424 97.068 -0.697 -6.699 1.00 0.00 N ATOM 0 H GLN A 424 93.746 0.362 -4.134 1.00 0.00 H new ATOM 0 HA GLN A 424 93.768 -0.983 -6.490 1.00 0.00 H new ATOM 0 HB2 GLN A 424 94.012 -2.026 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 424 94.390 -3.010 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 424 95.636 -0.255 -4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 424 96.363 -1.711 -3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 424 97.201 0.208 -6.248 1.00 0.00 H new ATOM 0 HE22 GLN A 424 97.493 -0.881 -7.608 1.00 0.00 H new