USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=27 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 372 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 390 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 356 SER OG : rot 170:sc= -1.93! USER MOD Set 2.2: A 383 GLN : amide:sc= 0 K(o=-1.9,f=-3) USER MOD Single : A 345 SER OG : rot -120:sc= -0.114 USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 HIS : no HD1:sc= -0.829 X(o=-0.83,f=-0.72) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot -37:sc= -0.535 USER MOD Single : A 351 GLN : amide:sc= -3.08! C(o=-3.1!,f=-5!) USER MOD Single : A 353 SER OG : rot 180:sc= -0.194! USER MOD Single : A 354 SER OG : rot 180:sc= -2.17! USER MOD Single : A 355 SER OG : rot 66:sc= 0.444 USER MOD Single : A 357 ASN : amide:sc= -2.79! C(o=-2.8!,f=-3.2!) USER MOD Single : A 358 TYR OH : rot 30:sc= 0 USER MOD Single : A 360 ASN :FLIP amide:sc= -0.29 F(o=-1.7!,f=-0.29) USER MOD Single : A 362 ASN : amide:sc=-0.00865 X(o=-0.0087,f=-0.29) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 LYS NZ :NH3+ -163:sc= -0.0182 (180deg=-0.215) USER MOD Single : A 369 ASN :FLIP amide:sc= -0.519 F(o=-2.3,f=-0.52) USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 TYR OH : rot 180:sc= -0.712 USER MOD Single : A 378 THR OG1 : rot 60:sc= 0.176! USER MOD Single : A 379 THR OG1 : rot 180:sc= 0 USER MOD Single : A 381 ASN :FLIP amide:sc= -0.43! F(o=-1.4,f=-0.43!) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 396 LYS NZ :NH3+ -157:sc= -1.12 (180deg=-2.07!) USER MOD Single : A 400 LYS NZ :NH3+ 160:sc= -0.0353 (180deg=-0.34) USER MOD Single : A 401 LYS NZ :NH3+ -167:sc= -3.11! (180deg=-3.65) USER MOD Single : A 404 SER OG : rot 180:sc= 0.00219 USER MOD Single : A 405 THR OG1 : rot -50:sc= -0.322 USER MOD Single : A 411 GLN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 414 ASN : amide:sc= -0.919 K(o=-0.92,f=-3.4!) USER MOD Single : A 418 LYS NZ :NH3+ -160:sc= -0.107 (180deg=-0.788) USER MOD Single : A 422 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 424 GLN : amide:sc= -0.731 K(o=-0.73,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 103.488 2.635 -5.936 1.00 0.00 N ATOM 322 CA SER A 345 102.620 2.916 -4.795 1.00 0.00 C ATOM 323 C SER A 345 103.245 3.979 -3.898 1.00 0.00 C ATOM 324 O SER A 345 102.544 4.682 -3.171 1.00 0.00 O ATOM 325 CB SER A 345 102.390 1.639 -3.988 1.00 0.00 C ATOM 326 OG SER A 345 101.569 1.933 -2.866 1.00 0.00 O ATOM 0 HA SER A 345 101.666 3.286 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 345 101.915 0.882 -4.612 1.00 0.00 H new ATOM 0 HB3 SER A 345 103.344 1.228 -3.657 1.00 0.00 H new ATOM 0 HG SER A 345 102.051 1.715 -2.041 1.00 0.00 H new ATOM 332 N SER A 346 104.568 4.091 -3.955 1.00 0.00 N ATOM 333 CA SER A 346 105.279 5.071 -3.142 1.00 0.00 C ATOM 334 C SER A 346 104.659 6.455 -3.305 1.00 0.00 C ATOM 335 O SER A 346 104.447 7.170 -2.325 1.00 0.00 O ATOM 336 CB SER A 346 106.751 5.119 -3.552 1.00 0.00 C ATOM 337 OG SER A 346 107.317 3.822 -3.422 1.00 0.00 O ATOM 0 H SER A 346 105.166 3.519 -4.551 1.00 0.00 H new ATOM 0 HA SER A 346 105.202 4.772 -2.097 1.00 0.00 H new ATOM 0 HB2 SER A 346 106.843 5.467 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 346 107.292 5.829 -2.926 1.00 0.00 H new ATOM 0 HG SER A 346 108.260 3.849 -3.686 1.00 0.00 H new ATOM 343 N HIS A 347 104.369 6.827 -4.548 1.00 0.00 N ATOM 344 CA HIS A 347 103.773 8.129 -4.826 1.00 0.00 C ATOM 345 C HIS A 347 102.521 8.338 -3.981 1.00 0.00 C ATOM 346 O HIS A 347 101.845 7.378 -3.607 1.00 0.00 O ATOM 347 CB HIS A 347 103.411 8.234 -6.309 1.00 0.00 C ATOM 348 CG HIS A 347 104.665 8.372 -7.129 1.00 0.00 C ATOM 349 ND1 HIS A 347 104.979 9.539 -7.808 1.00 0.00 N ATOM 350 CD2 HIS A 347 105.694 7.501 -7.386 1.00 0.00 C ATOM 351 CE1 HIS A 347 106.152 9.339 -8.437 1.00 0.00 C ATOM 352 NE2 HIS A 347 106.632 8.113 -8.212 1.00 0.00 N ATOM 0 H HIS A 347 104.535 6.250 -5.373 1.00 0.00 H new ATOM 0 HA HIS A 347 104.501 8.900 -4.574 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.856 7.349 -6.621 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.760 9.093 -6.474 1.00 0.00 H new ATOM 0 HD2 HIS A 347 105.765 6.493 -7.005 1.00 0.00 H new ATOM 0 HE1 HIS A 347 106.645 10.080 -9.049 1.00 0.00 H new ATOM 0 HE2 HIS A 347 107.499 7.712 -8.569 1.00 0.00 H new ATOM 361 N TYR A 348 102.215 9.601 -3.685 1.00 0.00 N ATOM 362 CA TYR A 348 101.038 9.945 -2.883 1.00 0.00 C ATOM 363 C TYR A 348 100.011 10.676 -3.745 1.00 0.00 C ATOM 364 O TYR A 348 100.275 10.999 -4.903 1.00 0.00 O ATOM 365 CB TYR A 348 101.453 10.840 -1.706 1.00 0.00 C ATOM 366 CG TYR A 348 102.067 9.994 -0.611 1.00 0.00 C ATOM 367 CD1 TYR A 348 103.325 9.411 -0.800 1.00 0.00 C ATOM 368 CD2 TYR A 348 101.377 9.793 0.591 1.00 0.00 C ATOM 369 CE1 TYR A 348 103.894 8.628 0.212 1.00 0.00 C ATOM 370 CE2 TYR A 348 101.946 9.010 1.603 1.00 0.00 C ATOM 371 CZ TYR A 348 103.204 8.427 1.413 1.00 0.00 C ATOM 372 OH TYR A 348 103.764 7.655 2.410 1.00 0.00 O ATOM 0 H TYR A 348 102.765 10.404 -3.988 1.00 0.00 H new ATOM 0 HA TYR A 348 100.593 9.027 -2.499 1.00 0.00 H new ATOM 0 HB2 TYR A 348 102.168 11.591 -2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 348 100.585 11.376 -1.321 1.00 0.00 H new ATOM 0 HD1 TYR A 348 103.857 9.565 -1.727 1.00 0.00 H new ATOM 0 HD2 TYR A 348 100.406 10.242 0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 348 104.865 8.179 0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 348 101.414 8.856 2.530 1.00 0.00 H new ATOM 0 HH TYR A 348 103.155 7.618 3.177 1.00 0.00 H new ATOM 382 N THR A 349 98.841 10.934 -3.170 1.00 0.00 N ATOM 383 CA THR A 349 97.781 11.627 -3.892 1.00 0.00 C ATOM 384 C THR A 349 96.683 12.076 -2.935 1.00 0.00 C ATOM 385 O THR A 349 95.836 11.280 -2.530 1.00 0.00 O ATOM 386 CB THR A 349 97.186 10.702 -4.957 1.00 0.00 C ATOM 387 OG1 THR A 349 98.234 10.140 -5.734 1.00 0.00 O ATOM 388 CG2 THR A 349 96.249 11.502 -5.861 1.00 0.00 C ATOM 0 H THR A 349 98.604 10.675 -2.212 1.00 0.00 H new ATOM 0 HA THR A 349 98.209 12.507 -4.371 1.00 0.00 H new ATOM 0 HB THR A 349 96.625 9.902 -4.473 1.00 0.00 H new ATOM 0 HG1 THR A 349 98.936 10.810 -5.870 1.00 0.00 H new ATOM 0 HG21 THR A 349 95.825 10.844 -6.619 1.00 0.00 H new ATOM 0 HG22 THR A 349 95.445 11.931 -5.263 1.00 0.00 H new ATOM 0 HG23 THR A 349 96.807 12.302 -6.346 1.00 0.00 H new ATOM 396 N LEU A 350 96.704 13.355 -2.577 1.00 0.00 N ATOM 397 CA LEU A 350 95.703 13.900 -1.666 1.00 0.00 C ATOM 398 C LEU A 350 94.314 13.816 -2.295 1.00 0.00 C ATOM 399 O LEU A 350 94.127 13.175 -3.329 1.00 0.00 O ATOM 400 CB LEU A 350 96.039 15.362 -1.332 1.00 0.00 C ATOM 401 CG LEU A 350 97.150 15.415 -0.279 1.00 0.00 C ATOM 402 CD1 LEU A 350 98.363 14.620 -0.767 1.00 0.00 C ATOM 403 CD2 LEU A 350 97.555 16.872 -0.043 1.00 0.00 C ATOM 0 H LEU A 350 97.397 14.030 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 350 95.708 13.314 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 350 96.355 15.886 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.150 15.873 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 350 96.787 14.980 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 350 99.151 14.660 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 350 98.074 13.582 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 350 98.729 15.050 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 350 98.346 16.913 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 350 97.916 17.305 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 350 96.692 17.437 0.309 1.00 0.00 H new ATOM 415 N GLN A 351 93.340 14.470 -1.661 1.00 0.00 N ATOM 416 CA GLN A 351 91.961 14.471 -2.156 1.00 0.00 C ATOM 417 C GLN A 351 91.424 15.897 -2.222 1.00 0.00 C ATOM 418 O GLN A 351 91.530 16.655 -1.258 1.00 0.00 O ATOM 419 CB GLN A 351 91.076 13.636 -1.227 1.00 0.00 C ATOM 420 CG GLN A 351 89.625 13.693 -1.708 1.00 0.00 C ATOM 421 CD GLN A 351 88.788 12.661 -0.961 1.00 0.00 C ATOM 422 OE1 GLN A 351 88.140 12.988 0.034 1.00 0.00 O ATOM 423 NE2 GLN A 351 88.762 11.426 -1.383 1.00 0.00 N ATOM 0 H GLN A 351 93.479 15.006 -0.804 1.00 0.00 H new ATOM 0 HA GLN A 351 91.949 14.039 -3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 351 91.423 12.603 -1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.146 14.013 -0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.218 14.691 -1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 351 89.581 13.502 -2.780 1.00 0.00 H new ATOM 0 HE21 GLN A 351 89.299 11.157 -2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 351 88.204 10.730 -0.888 1.00 0.00 H new ATOM 432 N LEU A 352 90.847 16.256 -3.364 1.00 0.00 N ATOM 433 CA LEU A 352 90.297 17.594 -3.541 1.00 0.00 C ATOM 434 C LEU A 352 88.955 17.717 -2.823 1.00 0.00 C ATOM 435 O LEU A 352 88.686 18.719 -2.162 1.00 0.00 O ATOM 436 CB LEU A 352 90.123 17.894 -5.039 1.00 0.00 C ATOM 437 CG LEU A 352 91.465 18.316 -5.652 1.00 0.00 C ATOM 438 CD1 LEU A 352 92.551 17.302 -5.279 1.00 0.00 C ATOM 439 CD2 LEU A 352 91.327 18.378 -7.175 1.00 0.00 C ATOM 0 H LEU A 352 90.749 15.644 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 352 90.989 18.317 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 352 89.741 17.012 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 352 89.387 18.686 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 352 91.745 19.297 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 352 93.501 17.608 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 352 92.650 17.257 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 352 92.276 16.318 -5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 352 92.278 18.678 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 352 91.045 17.396 -7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 352 90.559 19.105 -7.442 1.00 0.00 H new ATOM 451 N SER A 353 88.115 16.693 -2.955 1.00 0.00 N ATOM 452 CA SER A 353 86.805 16.707 -2.308 1.00 0.00 C ATOM 453 C SER A 353 86.257 15.293 -2.161 1.00 0.00 C ATOM 454 O SER A 353 86.909 14.320 -2.538 1.00 0.00 O ATOM 455 CB SER A 353 85.826 17.546 -3.126 1.00 0.00 C ATOM 456 OG SER A 353 84.532 17.454 -2.547 1.00 0.00 O ATOM 0 H SER A 353 88.314 15.852 -3.497 1.00 0.00 H new ATOM 0 HA SER A 353 86.922 17.144 -1.316 1.00 0.00 H new ATOM 0 HB2 SER A 353 86.153 18.586 -3.151 1.00 0.00 H new ATOM 0 HB3 SER A 353 85.801 17.195 -4.157 1.00 0.00 H new ATOM 0 HG SER A 353 83.901 17.993 -3.069 1.00 0.00 H new ATOM 462 N SER A 354 85.051 15.190 -1.606 1.00 0.00 N ATOM 463 CA SER A 354 84.413 13.892 -1.406 1.00 0.00 C ATOM 464 C SER A 354 82.895 14.044 -1.400 1.00 0.00 C ATOM 465 O SER A 354 82.368 15.113 -1.093 1.00 0.00 O ATOM 466 CB SER A 354 84.873 13.286 -0.080 1.00 0.00 C ATOM 467 OG SER A 354 83.892 12.368 0.382 1.00 0.00 O ATOM 0 H SER A 354 84.499 15.986 -1.288 1.00 0.00 H new ATOM 0 HA SER A 354 84.700 13.232 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 354 85.829 12.779 -0.211 1.00 0.00 H new ATOM 0 HB3 SER A 354 85.028 14.073 0.658 1.00 0.00 H new ATOM 0 HG SER A 354 84.185 11.976 1.231 1.00 0.00 H new ATOM 473 N SER A 355 82.199 12.963 -1.737 1.00 0.00 N ATOM 474 CA SER A 355 80.740 12.974 -1.765 1.00 0.00 C ATOM 475 C SER A 355 80.222 11.643 -2.318 1.00 0.00 C ATOM 476 O SER A 355 80.987 10.693 -2.486 1.00 0.00 O ATOM 477 CB SER A 355 80.233 14.158 -2.612 1.00 0.00 C ATOM 478 OG SER A 355 79.670 15.137 -1.749 1.00 0.00 O ATOM 0 H SER A 355 82.620 12.070 -1.994 1.00 0.00 H new ATOM 0 HA SER A 355 80.361 13.098 -0.750 1.00 0.00 H new ATOM 0 HB2 SER A 355 81.053 14.589 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 355 79.488 13.815 -3.330 1.00 0.00 H new ATOM 0 HG SER A 355 80.373 15.515 -1.181 1.00 0.00 H new ATOM 484 N SER A 356 78.920 11.578 -2.594 1.00 0.00 N ATOM 485 CA SER A 356 78.310 10.354 -3.121 1.00 0.00 C ATOM 486 C SER A 356 77.305 10.680 -4.220 1.00 0.00 C ATOM 487 O SER A 356 76.183 10.171 -4.217 1.00 0.00 O ATOM 488 CB SER A 356 77.604 9.603 -1.995 1.00 0.00 C ATOM 489 OG SER A 356 78.550 9.263 -0.991 1.00 0.00 O ATOM 0 H SER A 356 78.269 12.352 -2.463 1.00 0.00 H new ATOM 0 HA SER A 356 79.099 9.731 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 356 76.813 10.221 -1.571 1.00 0.00 H new ATOM 0 HB3 SER A 356 77.130 8.702 -2.385 1.00 0.00 H new ATOM 0 HG SER A 356 78.080 8.927 -0.199 1.00 0.00 H new ATOM 495 N ASN A 357 77.713 11.527 -5.158 1.00 0.00 N ATOM 496 CA ASN A 357 76.838 11.910 -6.262 1.00 0.00 C ATOM 497 C ASN A 357 77.652 12.523 -7.397 1.00 0.00 C ATOM 498 O ASN A 357 78.288 13.563 -7.227 1.00 0.00 O ATOM 499 CB ASN A 357 75.790 12.916 -5.773 1.00 0.00 C ATOM 500 CG ASN A 357 74.711 12.202 -4.966 1.00 0.00 C ATOM 501 OD1 ASN A 357 74.701 12.278 -3.737 1.00 0.00 O ATOM 502 ND2 ASN A 357 73.796 11.509 -5.587 1.00 0.00 N ATOM 0 H ASN A 357 78.637 11.959 -5.178 1.00 0.00 H new ATOM 0 HA ASN A 357 76.334 11.018 -6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 357 76.267 13.680 -5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.340 13.426 -6.625 1.00 0.00 H new ATOM 0 HD21 ASN A 357 73.071 11.029 -5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 357 73.806 11.447 -6.605 1.00 0.00 H new ATOM 509 N TYR A 358 77.624 11.873 -8.557 1.00 0.00 N ATOM 510 CA TYR A 358 78.361 12.366 -9.713 1.00 0.00 C ATOM 511 C TYR A 358 77.831 13.732 -10.138 1.00 0.00 C ATOM 512 O TYR A 358 78.599 14.672 -10.341 1.00 0.00 O ATOM 513 CB TYR A 358 78.231 11.380 -10.875 1.00 0.00 C ATOM 514 CG TYR A 358 78.972 11.916 -12.078 1.00 0.00 C ATOM 515 CD1 TYR A 358 78.370 12.879 -12.897 1.00 0.00 C ATOM 516 CD2 TYR A 358 80.259 11.450 -12.375 1.00 0.00 C ATOM 517 CE1 TYR A 358 79.056 13.378 -14.011 1.00 0.00 C ATOM 518 CE2 TYR A 358 80.943 11.948 -13.490 1.00 0.00 C ATOM 519 CZ TYR A 358 80.342 12.911 -14.308 1.00 0.00 C ATOM 520 OH TYR A 358 81.017 13.402 -15.408 1.00 0.00 O ATOM 0 H TYR A 358 77.103 11.011 -8.720 1.00 0.00 H new ATOM 0 HA TYR A 358 79.411 12.464 -9.439 1.00 0.00 H new ATOM 0 HB2 TYR A 358 78.635 10.409 -10.589 1.00 0.00 H new ATOM 0 HB3 TYR A 358 77.180 11.228 -11.120 1.00 0.00 H new ATOM 0 HD1 TYR A 358 77.377 13.237 -12.670 1.00 0.00 H new ATOM 0 HD2 TYR A 358 80.723 10.707 -11.744 1.00 0.00 H new ATOM 0 HE1 TYR A 358 78.593 14.123 -14.641 1.00 0.00 H new ATOM 0 HE2 TYR A 358 81.935 11.589 -13.719 1.00 0.00 H new ATOM 0 HH TYR A 358 80.735 14.325 -15.580 1.00 0.00 H new ATOM 530 N ASP A 359 76.512 13.833 -10.268 1.00 0.00 N ATOM 531 CA ASP A 359 75.888 15.089 -10.667 1.00 0.00 C ATOM 532 C ASP A 359 76.286 16.210 -9.714 1.00 0.00 C ATOM 533 O ASP A 359 76.579 17.327 -10.141 1.00 0.00 O ATOM 534 CB ASP A 359 74.366 14.937 -10.673 1.00 0.00 C ATOM 535 CG ASP A 359 73.976 13.622 -11.340 1.00 0.00 C ATOM 536 OD1 ASP A 359 73.860 13.609 -12.555 1.00 0.00 O ATOM 537 OD2 ASP A 359 73.797 12.648 -10.627 1.00 0.00 O ATOM 0 H ASP A 359 75.859 13.067 -10.104 1.00 0.00 H new ATOM 0 HA ASP A 359 76.231 15.342 -11.670 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.986 14.963 -9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 359 73.911 15.773 -11.204 1.00 0.00 H new ATOM 542 N ASN A 360 76.297 15.905 -8.419 1.00 0.00 N ATOM 543 CA ASN A 360 76.662 16.897 -7.414 1.00 0.00 C ATOM 544 C ASN A 360 78.099 17.361 -7.624 1.00 0.00 C ATOM 545 O ASN A 360 78.393 18.554 -7.557 1.00 0.00 O ATOM 546 CB ASN A 360 76.515 16.301 -6.013 1.00 0.00 C ATOM 547 CG ASN A 360 76.519 17.413 -4.969 1.00 0.00 C ATOM 548 OD1 ASN A 360 77.530 18.236 -4.908 1.00 0.00 O flip ATOM 549 ND2 ASN A 360 75.576 17.535 -4.188 1.00 0.00 N flip ATOM 0 H ASN A 360 76.059 14.987 -8.044 1.00 0.00 H new ATOM 0 HA ASN A 360 75.995 17.753 -7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 360 75.588 15.732 -5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 360 77.331 15.605 -5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 360 74.787 16.891 -4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 360 75.584 18.280 -3.492 1.00 0.00 H new ATOM 556 N LEU A 361 78.991 16.409 -7.881 1.00 0.00 N ATOM 557 CA LEU A 361 80.395 16.735 -8.102 1.00 0.00 C ATOM 558 C LEU A 361 80.536 17.668 -9.299 1.00 0.00 C ATOM 559 O LEU A 361 81.216 18.691 -9.224 1.00 0.00 O ATOM 560 CB LEU A 361 81.203 15.448 -8.336 1.00 0.00 C ATOM 561 CG LEU A 361 82.666 15.788 -8.749 1.00 0.00 C ATOM 562 CD1 LEU A 361 83.651 14.806 -8.085 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.820 15.703 -10.284 1.00 0.00 C ATOM 0 H LEU A 361 78.769 15.415 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 361 80.783 17.240 -7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 361 81.206 14.844 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 361 80.729 14.851 -9.115 1.00 0.00 H new ATOM 0 HG LEU A 361 82.889 16.802 -8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 361 84.670 15.055 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 361 83.562 14.878 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 361 83.419 13.789 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.847 15.943 -10.560 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.580 14.694 -10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.142 16.413 -10.758 1.00 0.00 H new ATOM 575 N ASN A 362 79.888 17.309 -10.402 1.00 0.00 N ATOM 576 CA ASN A 362 79.946 18.124 -11.609 1.00 0.00 C ATOM 577 C ASN A 362 79.642 19.580 -11.279 1.00 0.00 C ATOM 578 O ASN A 362 80.346 20.488 -11.722 1.00 0.00 O ATOM 579 CB ASN A 362 78.937 17.609 -12.637 1.00 0.00 C ATOM 580 CG ASN A 362 78.922 18.523 -13.858 1.00 0.00 C ATOM 581 OD1 ASN A 362 78.166 19.495 -13.897 1.00 0.00 O ATOM 582 ND2 ASN A 362 79.716 18.270 -14.861 1.00 0.00 N ATOM 0 H ASN A 362 79.321 16.465 -10.485 1.00 0.00 H new ATOM 0 HA ASN A 362 80.951 18.057 -12.026 1.00 0.00 H new ATOM 0 HB2 ASN A 362 79.197 16.593 -12.936 1.00 0.00 H new ATOM 0 HB3 ASN A 362 77.943 17.566 -12.193 1.00 0.00 H new ATOM 0 HD21 ASN A 362 79.712 18.878 -15.680 1.00 0.00 H new ATOM 0 HD22 ASN A 362 80.341 17.465 -14.826 1.00 0.00 H new ATOM 589 N GLY A 363 78.592 19.795 -10.494 1.00 0.00 N ATOM 590 CA GLY A 363 78.205 21.146 -10.106 1.00 0.00 C ATOM 591 C GLY A 363 79.354 21.854 -9.399 1.00 0.00 C ATOM 592 O GLY A 363 79.830 22.894 -9.857 1.00 0.00 O ATOM 0 H GLY A 363 77.998 19.057 -10.116 1.00 0.00 H new ATOM 0 HA2 GLY A 363 77.911 21.713 -10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.336 21.106 -9.449 1.00 0.00 H new ATOM 596 N TRP A 364 79.796 21.287 -8.281 1.00 0.00 N ATOM 597 CA TRP A 364 80.892 21.874 -7.520 1.00 0.00 C ATOM 598 C TRP A 364 82.148 21.977 -8.380 1.00 0.00 C ATOM 599 O TRP A 364 82.693 23.064 -8.572 1.00 0.00 O ATOM 600 CB TRP A 364 81.187 21.027 -6.282 1.00 0.00 C ATOM 601 CG TRP A 364 82.321 21.640 -5.527 1.00 0.00 C ATOM 602 CD1 TRP A 364 82.267 22.825 -4.876 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.671 21.128 -5.336 1.00 0.00 C ATOM 604 NE1 TRP A 364 83.501 23.074 -4.298 1.00 0.00 N ATOM 605 CE2 TRP A 364 84.399 22.058 -4.555 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.331 19.960 -5.762 1.00 0.00 C ATOM 607 CZ2 TRP A 364 85.733 21.837 -4.209 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.673 19.736 -5.415 1.00 0.00 C ATOM 609 CH2 TRP A 364 86.372 20.672 -4.641 1.00 0.00 C ATOM 0 H TRP A 364 79.415 20.428 -7.884 1.00 0.00 H new ATOM 0 HA TRP A 364 80.594 22.875 -7.209 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.302 20.967 -5.648 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.438 20.008 -6.575 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.403 23.471 -4.817 1.00 0.00 H new ATOM 0 HE1 TRP A 364 83.719 23.906 -3.750 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.802 19.232 -6.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 86.267 22.561 -3.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 86.170 18.836 -5.747 1.00 0.00 H new ATOM 0 HH2 TRP A 364 87.404 20.493 -4.379 1.00 0.00 H new ATOM 620 N ALA A 365 82.603 20.838 -8.895 1.00 0.00 N ATOM 621 CA ALA A 365 83.798 20.810 -9.734 1.00 0.00 C ATOM 622 C ALA A 365 83.774 21.957 -10.740 1.00 0.00 C ATOM 623 O ALA A 365 84.764 22.670 -10.907 1.00 0.00 O ATOM 624 CB ALA A 365 83.881 19.477 -10.480 1.00 0.00 C ATOM 0 H ALA A 365 82.166 19.928 -8.748 1.00 0.00 H new ATOM 0 HA ALA A 365 84.672 20.923 -9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 365 84.775 19.464 -11.104 1.00 0.00 H new ATOM 0 HB2 ALA A 365 83.929 18.660 -9.760 1.00 0.00 H new ATOM 0 HB3 ALA A 365 82.999 19.356 -11.108 1.00 0.00 H new ATOM 630 N LYS A 366 82.635 22.132 -11.400 1.00 0.00 N ATOM 631 CA LYS A 366 82.490 23.200 -12.382 1.00 0.00 C ATOM 632 C LYS A 366 82.414 24.555 -11.683 1.00 0.00 C ATOM 633 O LYS A 366 82.843 25.571 -12.229 1.00 0.00 O ATOM 634 CB LYS A 366 81.219 22.977 -13.215 1.00 0.00 C ATOM 635 CG LYS A 366 81.418 21.801 -14.213 1.00 0.00 C ATOM 636 CD LYS A 366 81.661 22.330 -15.636 1.00 0.00 C ATOM 637 CE LYS A 366 82.990 23.083 -15.692 1.00 0.00 C ATOM 638 NZ LYS A 366 83.355 23.339 -17.115 1.00 0.00 N ATOM 0 H LYS A 366 81.804 21.553 -11.275 1.00 0.00 H new ATOM 0 HA LYS A 366 83.359 23.189 -13.040 1.00 0.00 H new ATOM 0 HB2 LYS A 366 80.378 22.763 -12.555 1.00 0.00 H new ATOM 0 HB3 LYS A 366 80.972 23.887 -13.762 1.00 0.00 H new ATOM 0 HG2 LYS A 366 82.263 21.189 -13.898 1.00 0.00 H new ATOM 0 HG3 LYS A 366 80.538 21.157 -14.204 1.00 0.00 H new ATOM 0 HD2 LYS A 366 81.673 21.501 -16.344 1.00 0.00 H new ATOM 0 HD3 LYS A 366 80.846 22.991 -15.932 1.00 0.00 H new ATOM 0 HE2 LYS A 366 82.910 24.026 -15.151 1.00 0.00 H new ATOM 0 HE3 LYS A 366 83.771 22.501 -15.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 84.259 23.851 -17.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 83.448 22.433 -17.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 82.613 23.911 -17.566 1.00 0.00 H new ATOM 652 N LYS A 367 81.866 24.558 -10.472 1.00 0.00 N ATOM 653 CA LYS A 367 81.738 25.793 -9.704 1.00 0.00 C ATOM 654 C LYS A 367 83.114 26.357 -9.361 1.00 0.00 C ATOM 655 O LYS A 367 83.493 27.426 -9.838 1.00 0.00 O ATOM 656 CB LYS A 367 80.957 25.529 -8.416 1.00 0.00 C ATOM 657 CG LYS A 367 80.572 26.860 -7.770 1.00 0.00 C ATOM 658 CD LYS A 367 79.897 26.598 -6.422 1.00 0.00 C ATOM 659 CE LYS A 367 79.708 27.923 -5.679 1.00 0.00 C ATOM 660 NZ LYS A 367 81.022 28.391 -5.156 1.00 0.00 N ATOM 0 H LYS A 367 81.506 23.727 -10.004 1.00 0.00 H new ATOM 0 HA LYS A 367 81.201 26.522 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 367 80.062 24.946 -8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 367 81.561 24.939 -7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 367 81.459 27.478 -7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 367 79.898 27.412 -8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 367 78.933 26.114 -6.574 1.00 0.00 H new ATOM 0 HD3 LYS A 367 80.505 25.918 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 367 79.284 28.671 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 367 79.003 27.794 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 80.867 29.113 -4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 81.538 27.587 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 81.579 28.800 -5.933 1.00 0.00 H new ATOM 674 N GLU A 368 83.857 25.630 -8.532 1.00 0.00 N ATOM 675 CA GLU A 368 85.190 26.070 -8.135 1.00 0.00 C ATOM 676 C GLU A 368 86.117 26.110 -9.344 1.00 0.00 C ATOM 677 O GLU A 368 87.222 26.647 -9.274 1.00 0.00 O ATOM 678 CB GLU A 368 85.763 25.122 -7.080 1.00 0.00 C ATOM 679 CG GLU A 368 84.991 25.286 -5.769 1.00 0.00 C ATOM 680 CD GLU A 368 85.307 26.640 -5.143 1.00 0.00 C ATOM 681 OE1 GLU A 368 86.431 27.091 -5.289 1.00 0.00 O ATOM 682 OE2 GLU A 368 84.420 27.206 -4.526 1.00 0.00 O ATOM 0 H GLU A 368 83.562 24.742 -8.125 1.00 0.00 H new ATOM 0 HA GLU A 368 85.113 27.072 -7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 368 85.695 24.091 -7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 368 86.820 25.335 -6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 368 83.920 25.203 -5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 368 85.257 24.486 -5.078 1.00 0.00 H new ATOM 689 N ASN A 369 85.657 25.536 -10.451 1.00 0.00 N ATOM 690 CA ASN A 369 86.449 25.511 -11.674 1.00 0.00 C ATOM 691 C ASN A 369 87.802 24.852 -11.427 1.00 0.00 C ATOM 692 O ASN A 369 88.848 25.444 -11.694 1.00 0.00 O ATOM 693 CB ASN A 369 86.660 26.935 -12.190 1.00 0.00 C ATOM 694 CG ASN A 369 87.392 26.903 -13.527 1.00 0.00 C ATOM 695 OD1 ASN A 369 87.470 25.781 -14.191 1.00 0.00 O flip ATOM 696 ND2 ASN A 369 87.906 27.925 -13.980 1.00 0.00 N flip ATOM 0 H ASN A 369 84.745 25.085 -10.526 1.00 0.00 H new ATOM 0 HA ASN A 369 85.907 24.930 -12.421 1.00 0.00 H new ATOM 0 HB2 ASN A 369 85.698 27.435 -12.305 1.00 0.00 H new ATOM 0 HB3 ASN A 369 87.235 27.512 -11.465 1.00 0.00 H new ATOM 0 HD21 ASN A 369 87.844 28.800 -13.460 1.00 0.00 H new ATOM 0 HD22 ASN A 369 88.394 27.897 -14.875 1.00 0.00 H new ATOM 703 N LEU A 370 87.777 23.621 -10.925 1.00 0.00 N ATOM 704 CA LEU A 370 89.013 22.894 -10.658 1.00 0.00 C ATOM 705 C LEU A 370 89.845 22.798 -11.932 1.00 0.00 C ATOM 706 O LEU A 370 89.390 22.255 -12.937 1.00 0.00 O ATOM 707 CB LEU A 370 88.700 21.483 -10.145 1.00 0.00 C ATOM 708 CG LEU A 370 87.682 21.549 -9.001 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.276 20.127 -8.603 1.00 0.00 C ATOM 710 CD2 LEU A 370 88.303 22.261 -7.791 1.00 0.00 C ATOM 0 H LEU A 370 86.924 23.111 -10.697 1.00 0.00 H new ATOM 0 HA LEU A 370 89.576 23.433 -9.896 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.306 20.872 -10.957 1.00 0.00 H new ATOM 0 HB3 LEU A 370 89.615 21.002 -9.800 1.00 0.00 H new ATOM 0 HG LEU A 370 86.804 22.104 -9.331 1.00 0.00 H new ATOM 0 HD11 LEU A 370 86.552 20.170 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 370 86.830 19.623 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.157 19.575 -8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 370 87.575 22.305 -6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.183 21.711 -7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 370 88.593 23.273 -8.074 1.00 0.00 H new ATOM 722 N LYS A 371 91.065 23.329 -11.888 1.00 0.00 N ATOM 723 CA LYS A 371 91.949 23.297 -13.053 1.00 0.00 C ATOM 724 C LYS A 371 92.806 22.035 -13.038 1.00 0.00 C ATOM 725 O LYS A 371 93.188 21.545 -11.976 1.00 0.00 O ATOM 726 CB LYS A 371 92.863 24.532 -13.056 1.00 0.00 C ATOM 727 CG LYS A 371 92.025 25.826 -13.200 1.00 0.00 C ATOM 728 CD LYS A 371 91.642 26.381 -11.813 1.00 0.00 C ATOM 729 CE LYS A 371 92.777 27.252 -11.260 1.00 0.00 C ATOM 730 NZ LYS A 371 92.356 27.845 -9.959 1.00 0.00 N ATOM 0 H LYS A 371 91.462 23.783 -11.066 1.00 0.00 H new ATOM 0 HA LYS A 371 91.332 23.299 -13.952 1.00 0.00 H new ATOM 0 HB2 LYS A 371 93.441 24.567 -12.132 1.00 0.00 H new ATOM 0 HB3 LYS A 371 93.577 24.461 -13.876 1.00 0.00 H new ATOM 0 HG2 LYS A 371 92.593 26.574 -13.753 1.00 0.00 H new ATOM 0 HG3 LYS A 371 91.123 25.620 -13.777 1.00 0.00 H new ATOM 0 HD2 LYS A 371 90.727 26.968 -11.888 1.00 0.00 H new ATOM 0 HD3 LYS A 371 91.438 25.558 -11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 371 93.677 26.653 -11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 371 93.023 28.042 -11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 93.124 28.436 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 91.508 28.429 -10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 92.142 27.084 -9.284 1.00 0.00 H new ATOM 744 N ASN A 372 93.104 21.516 -14.224 1.00 0.00 N ATOM 745 CA ASN A 372 93.918 20.312 -14.339 1.00 0.00 C ATOM 746 C ASN A 372 93.369 19.205 -13.444 1.00 0.00 C ATOM 747 O ASN A 372 93.760 19.080 -12.283 1.00 0.00 O ATOM 748 CB ASN A 372 95.363 20.620 -13.944 1.00 0.00 C ATOM 749 CG ASN A 372 96.223 19.370 -14.098 1.00 0.00 C ATOM 750 OD1 ASN A 372 96.355 18.838 -15.200 1.00 0.00 O ATOM 751 ND2 ASN A 372 96.819 18.866 -13.051 1.00 0.00 N ATOM 0 H ASN A 372 92.796 21.907 -15.114 1.00 0.00 H new ATOM 0 HA ASN A 372 93.888 19.974 -15.375 1.00 0.00 H new ATOM 0 HB2 ASN A 372 95.757 21.422 -14.569 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.400 20.972 -12.913 1.00 0.00 H new ATOM 0 HD21 ASN A 372 97.395 18.030 -13.146 1.00 0.00 H new ATOM 0 HD22 ASN A 372 96.708 19.309 -12.139 1.00 0.00 H new ATOM 758 N TYR A 373 92.462 18.403 -13.994 1.00 0.00 N ATOM 759 CA TYR A 373 91.868 17.307 -13.236 1.00 0.00 C ATOM 760 C TYR A 373 91.032 16.415 -14.152 1.00 0.00 C ATOM 761 O TYR A 373 90.696 16.801 -15.272 1.00 0.00 O ATOM 762 CB TYR A 373 90.997 17.865 -12.102 1.00 0.00 C ATOM 763 CG TYR A 373 89.703 18.419 -12.663 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.730 19.531 -13.514 1.00 0.00 C ATOM 765 CD2 TYR A 373 88.479 17.818 -12.337 1.00 0.00 C ATOM 766 CE1 TYR A 373 88.536 20.041 -14.038 1.00 0.00 C ATOM 767 CE2 TYR A 373 87.285 18.329 -12.860 1.00 0.00 C ATOM 768 CZ TYR A 373 87.314 19.441 -13.711 1.00 0.00 C ATOM 769 OH TYR A 373 86.138 19.945 -14.227 1.00 0.00 O ATOM 0 H TYR A 373 92.125 18.490 -14.953 1.00 0.00 H new ATOM 0 HA TYR A 373 92.669 16.706 -12.805 1.00 0.00 H new ATOM 0 HB2 TYR A 373 90.781 17.079 -11.378 1.00 0.00 H new ATOM 0 HB3 TYR A 373 91.537 18.649 -11.570 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.672 19.995 -13.766 1.00 0.00 H new ATOM 0 HD2 TYR A 373 88.457 16.960 -11.682 1.00 0.00 H new ATOM 0 HE1 TYR A 373 88.558 20.898 -14.695 1.00 0.00 H new ATOM 0 HE2 TYR A 373 86.342 17.866 -12.607 1.00 0.00 H new ATOM 0 HH TYR A 373 85.383 19.412 -13.902 1.00 0.00 H new ATOM 779 N VAL A 374 90.703 15.218 -13.669 1.00 0.00 N ATOM 780 CA VAL A 374 89.908 14.270 -14.452 1.00 0.00 C ATOM 781 C VAL A 374 88.916 13.533 -13.560 1.00 0.00 C ATOM 782 O VAL A 374 89.272 13.051 -12.484 1.00 0.00 O ATOM 783 CB VAL A 374 90.832 13.260 -15.132 1.00 0.00 C ATOM 784 CG1 VAL A 374 91.497 12.379 -14.073 1.00 0.00 C ATOM 785 CG2 VAL A 374 90.015 12.383 -16.083 1.00 0.00 C ATOM 0 H VAL A 374 90.972 14.882 -12.744 1.00 0.00 H new ATOM 0 HA VAL A 374 89.352 14.826 -15.207 1.00 0.00 H new ATOM 0 HB VAL A 374 91.599 13.792 -15.694 1.00 0.00 H new ATOM 0 HG11 VAL A 374 92.155 11.659 -14.560 1.00 0.00 H new ATOM 0 HG12 VAL A 374 92.079 13.002 -13.394 1.00 0.00 H new ATOM 0 HG13 VAL A 374 90.731 11.846 -13.509 1.00 0.00 H new ATOM 0 HG21 VAL A 374 90.673 11.662 -16.569 1.00 0.00 H new ATOM 0 HG22 VAL A 374 89.248 11.852 -15.520 1.00 0.00 H new ATOM 0 HG23 VAL A 374 89.542 13.009 -16.839 1.00 0.00 H new ATOM 795 N VAL A 375 87.670 13.447 -14.017 1.00 0.00 N ATOM 796 CA VAL A 375 86.626 12.763 -13.258 1.00 0.00 C ATOM 797 C VAL A 375 86.627 11.269 -13.584 1.00 0.00 C ATOM 798 O VAL A 375 86.541 10.881 -14.749 1.00 0.00 O ATOM 799 CB VAL A 375 85.257 13.375 -13.589 1.00 0.00 C ATOM 800 CG1 VAL A 375 85.348 14.904 -13.514 1.00 0.00 C ATOM 801 CG2 VAL A 375 84.824 12.960 -15.003 1.00 0.00 C ATOM 0 H VAL A 375 87.359 13.840 -14.905 1.00 0.00 H new ATOM 0 HA VAL A 375 86.824 12.887 -12.193 1.00 0.00 H new ATOM 0 HB VAL A 375 84.523 13.015 -12.869 1.00 0.00 H new ATOM 0 HG11 VAL A 375 84.376 15.338 -13.749 1.00 0.00 H new ATOM 0 HG12 VAL A 375 85.645 15.202 -12.508 1.00 0.00 H new ATOM 0 HG13 VAL A 375 86.088 15.260 -14.231 1.00 0.00 H new ATOM 0 HG21 VAL A 375 83.852 13.398 -15.229 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.559 13.313 -15.727 1.00 0.00 H new ATOM 0 HG23 VAL A 375 84.754 11.874 -15.058 1.00 0.00 H new ATOM 811 N TYR A 376 86.729 10.436 -12.550 1.00 0.00 N ATOM 812 CA TYR A 376 86.742 8.985 -12.743 1.00 0.00 C ATOM 813 C TYR A 376 86.120 8.279 -11.541 1.00 0.00 C ATOM 814 O TYR A 376 85.862 8.899 -10.511 1.00 0.00 O ATOM 815 CB TYR A 376 88.180 8.495 -12.951 1.00 0.00 C ATOM 816 CG TYR A 376 88.975 8.672 -11.675 1.00 0.00 C ATOM 817 CD1 TYR A 376 89.298 9.958 -11.225 1.00 0.00 C ATOM 818 CD2 TYR A 376 89.393 7.551 -10.946 1.00 0.00 C ATOM 819 CE1 TYR A 376 90.037 10.122 -10.047 1.00 0.00 C ATOM 820 CE2 TYR A 376 90.132 7.716 -9.768 1.00 0.00 C ATOM 821 CZ TYR A 376 90.454 9.002 -9.319 1.00 0.00 C ATOM 822 OH TYR A 376 91.182 9.164 -8.158 1.00 0.00 O ATOM 0 H TYR A 376 86.803 10.736 -11.578 1.00 0.00 H new ATOM 0 HA TYR A 376 86.153 8.749 -13.629 1.00 0.00 H new ATOM 0 HB2 TYR A 376 88.177 7.445 -13.245 1.00 0.00 H new ATOM 0 HB3 TYR A 376 88.649 9.052 -13.762 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.977 10.823 -11.786 1.00 0.00 H new ATOM 0 HD2 TYR A 376 89.145 6.559 -11.293 1.00 0.00 H new ATOM 0 HE1 TYR A 376 90.285 11.114 -9.700 1.00 0.00 H new ATOM 0 HE2 TYR A 376 90.453 6.851 -9.206 1.00 0.00 H new ATOM 0 HH TYR A 376 91.390 8.285 -7.777 1.00 0.00 H new ATOM 832 N GLU A 377 85.869 6.979 -11.689 1.00 0.00 N ATOM 833 CA GLU A 377 85.260 6.190 -10.615 1.00 0.00 C ATOM 834 C GLU A 377 86.325 5.581 -9.707 1.00 0.00 C ATOM 835 O GLU A 377 87.478 5.419 -10.102 1.00 0.00 O ATOM 836 CB GLU A 377 84.399 5.070 -11.211 1.00 0.00 C ATOM 837 CG GLU A 377 85.187 4.317 -12.293 1.00 0.00 C ATOM 838 CD GLU A 377 85.133 5.078 -13.616 1.00 0.00 C ATOM 839 OE1 GLU A 377 84.629 6.189 -13.618 1.00 0.00 O ATOM 840 OE2 GLU A 377 85.597 4.538 -14.607 1.00 0.00 O ATOM 0 H GLU A 377 86.076 6.451 -12.537 1.00 0.00 H new ATOM 0 HA GLU A 377 84.637 6.857 -10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 377 84.093 4.379 -10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 377 83.488 5.489 -11.639 1.00 0.00 H new ATOM 0 HG2 GLU A 377 86.223 4.195 -11.978 1.00 0.00 H new ATOM 0 HG3 GLU A 377 84.773 3.317 -12.424 1.00 0.00 H new ATOM 847 N THR A 378 85.920 5.242 -8.487 1.00 0.00 N ATOM 848 CA THR A 378 86.833 4.648 -7.517 1.00 0.00 C ATOM 849 C THR A 378 86.047 4.049 -6.354 1.00 0.00 C ATOM 850 O THR A 378 84.830 3.882 -6.440 1.00 0.00 O ATOM 851 CB THR A 378 87.813 5.702 -6.992 1.00 0.00 C ATOM 852 OG1 THR A 378 88.604 5.136 -5.957 1.00 0.00 O ATOM 853 CG2 THR A 378 87.044 6.908 -6.447 1.00 0.00 C ATOM 0 H THR A 378 84.967 5.368 -8.147 1.00 0.00 H new ATOM 0 HA THR A 378 87.397 3.857 -8.012 1.00 0.00 H new ATOM 0 HB THR A 378 88.457 6.030 -7.808 1.00 0.00 H new ATOM 0 HG1 THR A 378 89.103 4.370 -6.309 1.00 0.00 H new ATOM 0 HG21 THR A 378 87.749 7.652 -6.076 1.00 0.00 H new ATOM 0 HG22 THR A 378 86.441 7.345 -7.243 1.00 0.00 H new ATOM 0 HG23 THR A 378 86.394 6.587 -5.633 1.00 0.00 H new ATOM 861 N THR A 379 86.745 3.737 -5.263 1.00 0.00 N ATOM 862 CA THR A 379 86.103 3.165 -4.076 1.00 0.00 C ATOM 863 C THR A 379 86.175 4.147 -2.911 1.00 0.00 C ATOM 864 O THR A 379 87.058 5.003 -2.864 1.00 0.00 O ATOM 865 CB THR A 379 86.800 1.859 -3.686 1.00 0.00 C ATOM 866 OG1 THR A 379 88.134 2.139 -3.282 1.00 0.00 O ATOM 867 CG2 THR A 379 86.816 0.908 -4.883 1.00 0.00 C ATOM 0 H THR A 379 87.752 3.869 -5.174 1.00 0.00 H new ATOM 0 HA THR A 379 85.057 2.964 -4.308 1.00 0.00 H new ATOM 0 HB THR A 379 86.261 1.391 -2.862 1.00 0.00 H new ATOM 0 HG1 THR A 379 88.582 1.304 -3.030 1.00 0.00 H new ATOM 0 HG21 THR A 379 87.313 -0.021 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 379 85.793 0.694 -5.191 1.00 0.00 H new ATOM 0 HG23 THR A 379 87.354 1.372 -5.709 1.00 0.00 H new ATOM 875 N ARG A 380 85.241 4.019 -1.977 1.00 0.00 N ATOM 876 CA ARG A 380 85.207 4.902 -0.816 1.00 0.00 C ATOM 877 C ARG A 380 84.181 4.409 0.201 1.00 0.00 C ATOM 878 O ARG A 380 82.975 4.548 -0.005 1.00 0.00 O ATOM 879 CB ARG A 380 84.845 6.324 -1.253 1.00 0.00 C ATOM 880 CG ARG A 380 85.149 7.305 -0.115 1.00 0.00 C ATOM 881 CD ARG A 380 84.409 8.622 -0.360 1.00 0.00 C ATOM 882 NE ARG A 380 82.973 8.427 -0.201 1.00 0.00 N ATOM 883 CZ ARG A 380 82.122 9.436 -0.352 1.00 0.00 C ATOM 884 NH1 ARG A 380 82.567 10.625 -0.650 1.00 0.00 N ATOM 885 NH2 ARG A 380 80.841 9.237 -0.203 1.00 0.00 N ATOM 0 H ARG A 380 84.501 3.317 -1.999 1.00 0.00 H new ATOM 0 HA ARG A 380 86.194 4.901 -0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 380 85.412 6.597 -2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 380 83.789 6.376 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 380 84.843 6.876 0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 380 86.222 7.485 -0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 380 84.760 9.381 0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 380 84.625 8.988 -1.364 1.00 0.00 H new ATOM 0 HE ARG A 380 82.616 7.500 0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 380 83.568 10.780 -0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 380 81.914 11.400 -0.766 1.00 0.00 H new ATOM 0 HH21 ARG A 380 80.493 8.307 0.029 1.00 0.00 H new ATOM 0 HH22 ARG A 380 80.188 10.012 -0.319 1.00 0.00 H new ATOM 899 N ASN A 381 84.666 3.831 1.295 1.00 0.00 N ATOM 900 CA ASN A 381 83.776 3.320 2.335 1.00 0.00 C ATOM 901 C ASN A 381 82.637 2.518 1.714 1.00 0.00 C ATOM 902 O ASN A 381 81.487 2.960 1.710 1.00 0.00 O ATOM 903 CB ASN A 381 83.202 4.481 3.149 1.00 0.00 C ATOM 904 CG ASN A 381 82.298 3.946 4.254 1.00 0.00 C ATOM 905 OD1 ASN A 381 82.766 3.826 5.465 1.00 0.00 O flip ATOM 906 ND2 ASN A 381 81.135 3.629 4.006 1.00 0.00 N flip ATOM 0 H ASN A 381 85.660 3.705 1.485 1.00 0.00 H new ATOM 0 HA ASN A 381 84.350 2.667 2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 381 84.012 5.068 3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 381 82.638 5.149 2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 381 80.772 3.724 3.058 1.00 0.00 H new ATOM 0 HD22 ASN A 381 80.534 3.271 4.749 1.00 0.00 H new ATOM 913 N GLY A 382 82.969 1.334 1.200 1.00 0.00 N ATOM 914 CA GLY A 382 81.977 0.453 0.575 1.00 0.00 C ATOM 915 C GLY A 382 80.896 1.253 -0.148 1.00 0.00 C ATOM 916 O GLY A 382 79.748 0.817 -0.248 1.00 0.00 O ATOM 0 H GLY A 382 83.918 0.960 1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 382 82.473 -0.212 -0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 382 81.517 -0.177 1.336 1.00 0.00 H new ATOM 920 N GLN A 383 81.270 2.431 -0.644 1.00 0.00 N ATOM 921 CA GLN A 383 80.332 3.303 -1.350 1.00 0.00 C ATOM 922 C GLN A 383 81.035 4.013 -2.513 1.00 0.00 C ATOM 923 O GLN A 383 81.601 5.090 -2.327 1.00 0.00 O ATOM 924 CB GLN A 383 79.785 4.354 -0.382 1.00 0.00 C ATOM 925 CG GLN A 383 78.689 5.166 -1.074 1.00 0.00 C ATOM 926 CD GLN A 383 78.044 6.125 -0.080 1.00 0.00 C ATOM 927 OE1 GLN A 383 78.618 6.410 0.971 1.00 0.00 O ATOM 928 NE2 GLN A 383 76.877 6.644 -0.350 1.00 0.00 N ATOM 0 H GLN A 383 82.216 2.804 -0.570 1.00 0.00 H new ATOM 0 HA GLN A 383 79.517 2.695 -1.742 1.00 0.00 H new ATOM 0 HB2 GLN A 383 79.385 3.870 0.509 1.00 0.00 H new ATOM 0 HB3 GLN A 383 80.588 5.014 -0.053 1.00 0.00 H new ATOM 0 HG2 GLN A 383 79.111 5.725 -1.909 1.00 0.00 H new ATOM 0 HG3 GLN A 383 77.935 4.496 -1.487 1.00 0.00 H new ATOM 0 HE21 GLN A 383 76.403 6.407 -1.221 1.00 0.00 H new ATOM 0 HE22 GLN A 383 76.440 7.287 0.310 1.00 0.00 H new ATOM 937 N PRO A 384 81.021 3.442 -3.698 1.00 0.00 N ATOM 938 CA PRO A 384 81.687 4.060 -4.883 1.00 0.00 C ATOM 939 C PRO A 384 81.414 5.560 -4.988 1.00 0.00 C ATOM 940 O PRO A 384 80.317 6.027 -4.685 1.00 0.00 O ATOM 941 CB PRO A 384 81.085 3.293 -6.063 1.00 0.00 C ATOM 942 CG PRO A 384 80.787 1.937 -5.512 1.00 0.00 C ATOM 943 CD PRO A 384 80.378 2.160 -4.050 1.00 0.00 C ATOM 0 HA PRO A 384 82.774 3.989 -4.834 1.00 0.00 H new ATOM 0 HB2 PRO A 384 80.182 3.779 -6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 384 81.783 3.238 -6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 384 79.986 1.454 -6.073 1.00 0.00 H new ATOM 0 HG3 PRO A 384 81.660 1.287 -5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 384 79.295 2.212 -3.941 1.00 0.00 H new ATOM 0 HD3 PRO A 384 80.724 1.349 -3.409 1.00 0.00 H new ATOM 951 N TRP A 385 82.427 6.304 -5.420 1.00 0.00 N ATOM 952 CA TRP A 385 82.304 7.752 -5.565 1.00 0.00 C ATOM 953 C TRP A 385 83.350 8.255 -6.564 1.00 0.00 C ATOM 954 O TRP A 385 84.354 7.591 -6.814 1.00 0.00 O ATOM 955 CB TRP A 385 82.476 8.422 -4.175 1.00 0.00 C ATOM 956 CG TRP A 385 83.256 9.706 -4.271 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.587 9.816 -4.061 1.00 0.00 C ATOM 958 CD2 TRP A 385 82.781 11.045 -4.600 1.00 0.00 C ATOM 959 NE1 TRP A 385 84.962 11.136 -4.239 1.00 0.00 N ATOM 960 CE2 TRP A 385 83.883 11.933 -4.572 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.516 11.570 -4.916 1.00 0.00 C ATOM 962 CZ2 TRP A 385 83.735 13.295 -4.848 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.362 12.939 -5.194 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.471 13.800 -5.160 1.00 0.00 C ATOM 0 H TRP A 385 83.341 5.930 -5.676 1.00 0.00 H new ATOM 0 HA TRP A 385 81.318 8.012 -5.949 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.495 8.623 -3.744 1.00 0.00 H new ATOM 0 HB3 TRP A 385 82.987 7.735 -3.500 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.250 9.005 -3.797 1.00 0.00 H new ATOM 0 HE1 TRP A 385 85.917 11.479 -4.137 1.00 0.00 H new ATOM 0 HE3 TRP A 385 80.656 10.917 -4.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.592 13.952 -4.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.385 13.331 -5.435 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.346 14.851 -5.375 1.00 0.00 H new ATOM 975 N TYR A 386 83.103 9.436 -7.126 1.00 0.00 N ATOM 976 CA TYR A 386 84.027 10.031 -8.091 1.00 0.00 C ATOM 977 C TYR A 386 84.948 11.028 -7.395 1.00 0.00 C ATOM 978 O TYR A 386 84.548 12.152 -7.099 1.00 0.00 O ATOM 979 CB TYR A 386 83.240 10.745 -9.191 1.00 0.00 C ATOM 980 CG TYR A 386 82.359 9.749 -9.907 1.00 0.00 C ATOM 981 CD1 TYR A 386 81.115 9.401 -9.370 1.00 0.00 C ATOM 982 CD2 TYR A 386 82.788 9.173 -11.109 1.00 0.00 C ATOM 983 CE1 TYR A 386 80.299 8.478 -10.034 1.00 0.00 C ATOM 984 CE2 TYR A 386 81.972 8.249 -11.774 1.00 0.00 C ATOM 985 CZ TYR A 386 80.727 7.902 -11.236 1.00 0.00 C ATOM 986 OH TYR A 386 79.923 6.992 -11.890 1.00 0.00 O ATOM 0 H TYR A 386 82.275 9.999 -6.932 1.00 0.00 H new ATOM 0 HA TYR A 386 84.630 9.238 -8.532 1.00 0.00 H new ATOM 0 HB2 TYR A 386 82.632 11.541 -8.760 1.00 0.00 H new ATOM 0 HB3 TYR A 386 83.925 11.214 -9.897 1.00 0.00 H new ATOM 0 HD1 TYR A 386 80.784 9.845 -8.443 1.00 0.00 H new ATOM 0 HD2 TYR A 386 83.749 9.441 -11.524 1.00 0.00 H new ATOM 0 HE1 TYR A 386 79.339 8.210 -9.619 1.00 0.00 H new ATOM 0 HE2 TYR A 386 82.303 7.805 -12.701 1.00 0.00 H new ATOM 0 HH TYR A 386 80.369 6.690 -12.709 1.00 0.00 H new ATOM 996 N VAL A 387 86.186 10.610 -7.137 1.00 0.00 N ATOM 997 CA VAL A 387 87.161 11.475 -6.478 1.00 0.00 C ATOM 998 C VAL A 387 88.040 12.154 -7.522 1.00 0.00 C ATOM 999 O VAL A 387 88.267 11.607 -8.600 1.00 0.00 O ATOM 1000 CB VAL A 387 88.027 10.651 -5.514 1.00 0.00 C ATOM 1001 CG1 VAL A 387 89.026 9.794 -6.299 1.00 0.00 C ATOM 1002 CG2 VAL A 387 88.791 11.593 -4.583 1.00 0.00 C ATOM 0 H VAL A 387 86.536 9.682 -7.373 1.00 0.00 H new ATOM 0 HA VAL A 387 86.632 12.240 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 387 87.380 9.997 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 387 89.634 9.215 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 387 88.484 9.116 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 387 89.672 10.440 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.406 11.008 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 387 89.430 12.250 -5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 387 88.083 12.193 -4.012 1.00 0.00 H new ATOM 1012 N LEU A 388 88.532 13.348 -7.197 1.00 0.00 N ATOM 1013 CA LEU A 388 89.389 14.100 -8.116 1.00 0.00 C ATOM 1014 C LEU A 388 90.780 14.278 -7.522 1.00 0.00 C ATOM 1015 O LEU A 388 90.930 14.537 -6.330 1.00 0.00 O ATOM 1016 CB LEU A 388 88.777 15.474 -8.391 1.00 0.00 C ATOM 1017 CG LEU A 388 87.292 15.326 -8.730 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.694 16.712 -8.993 1.00 0.00 C ATOM 1019 CD2 LEU A 388 87.130 14.453 -9.981 1.00 0.00 C ATOM 0 H LEU A 388 88.354 13.815 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 388 89.469 13.541 -9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.897 16.116 -7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.301 15.956 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 388 86.774 14.854 -7.895 1.00 0.00 H new ATOM 0 HD11 LEU A 388 85.636 16.612 -9.235 1.00 0.00 H new ATOM 0 HD12 LEU A 388 86.806 17.331 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 388 87.214 17.180 -9.828 1.00 0.00 H new ATOM 0 HD21 LEU A 388 86.071 14.350 -10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.646 14.920 -10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 388 87.557 13.468 -9.795 1.00 0.00 H new ATOM 1031 N VAL A 389 91.794 14.133 -8.371 1.00 0.00 N ATOM 1032 CA VAL A 389 93.185 14.275 -7.939 1.00 0.00 C ATOM 1033 C VAL A 389 93.997 15.006 -9.004 1.00 0.00 C ATOM 1034 O VAL A 389 93.723 14.880 -10.198 1.00 0.00 O ATOM 1035 CB VAL A 389 93.796 12.894 -7.691 1.00 0.00 C ATOM 1036 CG1 VAL A 389 93.093 12.227 -6.507 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.620 12.030 -8.941 1.00 0.00 C ATOM 0 H VAL A 389 91.681 13.917 -9.361 1.00 0.00 H new ATOM 0 HA VAL A 389 93.206 14.853 -7.015 1.00 0.00 H new ATOM 0 HB VAL A 389 94.857 13.001 -7.467 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.529 11.244 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.217 12.843 -5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 389 92.031 12.119 -6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 389 94.054 11.046 -8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.558 11.924 -9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 389 94.122 12.504 -9.785 1.00 0.00 H new ATOM 1047 N SER A 390 94.996 15.770 -8.566 1.00 0.00 N ATOM 1048 CA SER A 390 95.846 16.520 -9.492 1.00 0.00 C ATOM 1049 C SER A 390 97.112 15.731 -9.812 1.00 0.00 C ATOM 1050 O SER A 390 98.029 15.652 -8.995 1.00 0.00 O ATOM 1051 CB SER A 390 96.229 17.863 -8.870 1.00 0.00 C ATOM 1052 OG SER A 390 97.150 18.530 -9.723 1.00 0.00 O ATOM 0 H SER A 390 95.237 15.887 -7.582 1.00 0.00 H new ATOM 0 HA SER A 390 95.290 16.688 -10.415 1.00 0.00 H new ATOM 0 HB2 SER A 390 95.340 18.477 -8.725 1.00 0.00 H new ATOM 0 HB3 SER A 390 96.673 17.708 -7.887 1.00 0.00 H new ATOM 0 HG SER A 390 97.396 19.392 -9.328 1.00 0.00 H new ATOM 1058 N GLY A 391 97.157 15.149 -11.006 1.00 0.00 N ATOM 1059 CA GLY A 391 98.318 14.370 -11.422 1.00 0.00 C ATOM 1060 C GLY A 391 98.771 13.430 -10.310 1.00 0.00 C ATOM 1061 O GLY A 391 97.978 12.656 -9.776 1.00 0.00 O ATOM 0 H GLY A 391 96.409 15.201 -11.698 1.00 0.00 H new ATOM 0 HA2 GLY A 391 98.073 13.793 -12.314 1.00 0.00 H new ATOM 0 HA3 GLY A 391 99.134 15.041 -11.691 1.00 0.00 H new ATOM 1065 N VAL A 392 100.055 13.505 -9.965 1.00 0.00 N ATOM 1066 CA VAL A 392 100.612 12.657 -8.912 1.00 0.00 C ATOM 1067 C VAL A 392 101.820 13.332 -8.269 1.00 0.00 C ATOM 1068 O VAL A 392 102.626 13.964 -8.951 1.00 0.00 O ATOM 1069 CB VAL A 392 101.035 11.305 -9.491 1.00 0.00 C ATOM 1070 CG1 VAL A 392 99.805 10.549 -9.996 1.00 0.00 C ATOM 1071 CG2 VAL A 392 102.007 11.530 -10.651 1.00 0.00 C ATOM 0 H VAL A 392 100.726 14.140 -10.396 1.00 0.00 H new ATOM 0 HA VAL A 392 99.843 12.502 -8.155 1.00 0.00 H new ATOM 0 HB VAL A 392 101.523 10.718 -8.713 1.00 0.00 H new ATOM 0 HG11 VAL A 392 100.112 9.587 -10.407 1.00 0.00 H new ATOM 0 HG12 VAL A 392 99.113 10.386 -9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 392 99.311 11.134 -10.772 1.00 0.00 H new ATOM 0 HG21 VAL A 392 102.309 10.568 -11.064 1.00 0.00 H new ATOM 0 HG22 VAL A 392 101.518 12.120 -11.426 1.00 0.00 H new ATOM 0 HG23 VAL A 392 102.887 12.062 -10.290 1.00 0.00 H new ATOM 1081 N TYR A 393 101.940 13.189 -6.950 1.00 0.00 N ATOM 1082 CA TYR A 393 103.057 13.783 -6.214 1.00 0.00 C ATOM 1083 C TYR A 393 104.178 12.766 -6.034 1.00 0.00 C ATOM 1084 O TYR A 393 103.949 11.651 -5.565 1.00 0.00 O ATOM 1085 CB TYR A 393 102.579 14.262 -4.840 1.00 0.00 C ATOM 1086 CG TYR A 393 101.413 15.209 -5.013 1.00 0.00 C ATOM 1087 CD1 TYR A 393 101.594 16.428 -5.679 1.00 0.00 C ATOM 1088 CD2 TYR A 393 100.149 14.871 -4.510 1.00 0.00 C ATOM 1089 CE1 TYR A 393 100.517 17.307 -5.840 1.00 0.00 C ATOM 1090 CE2 TYR A 393 99.071 15.750 -4.672 1.00 0.00 C ATOM 1091 CZ TYR A 393 99.255 16.967 -5.337 1.00 0.00 C ATOM 1092 OH TYR A 393 98.193 17.833 -5.497 1.00 0.00 O ATOM 0 H TYR A 393 101.281 12.669 -6.370 1.00 0.00 H new ATOM 0 HA TYR A 393 103.436 14.631 -6.785 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.281 13.410 -4.229 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.392 14.762 -4.314 1.00 0.00 H new ATOM 0 HD1 TYR A 393 102.566 16.690 -6.069 1.00 0.00 H new ATOM 0 HD2 TYR A 393 100.006 13.931 -3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 393 100.659 18.247 -6.352 1.00 0.00 H new ATOM 0 HE2 TYR A 393 98.098 15.488 -4.284 1.00 0.00 H new ATOM 0 HH TYR A 393 97.390 17.445 -5.091 1.00 0.00 H new ATOM 1102 N ALA A 394 105.393 13.156 -6.412 1.00 0.00 N ATOM 1103 CA ALA A 394 106.547 12.268 -6.292 1.00 0.00 C ATOM 1104 C ALA A 394 106.516 11.515 -4.964 1.00 0.00 C ATOM 1105 O ALA A 394 106.397 10.290 -4.939 1.00 0.00 O ATOM 1106 CB ALA A 394 107.841 13.079 -6.389 1.00 0.00 C ATOM 0 H ALA A 394 105.604 14.075 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 394 106.507 11.544 -7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 394 108.697 12.410 -6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 394 107.879 13.589 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 394 107.870 13.816 -5.586 1.00 0.00 H new ATOM 1112 N SER A 395 106.623 12.257 -3.862 1.00 0.00 N ATOM 1113 CA SER A 395 106.605 11.659 -2.525 1.00 0.00 C ATOM 1114 C SER A 395 105.593 12.376 -1.637 1.00 0.00 C ATOM 1115 O SER A 395 104.870 13.259 -2.095 1.00 0.00 O ATOM 1116 CB SER A 395 107.994 11.756 -1.894 1.00 0.00 C ATOM 1117 OG SER A 395 108.907 10.966 -2.644 1.00 0.00 O ATOM 0 H SER A 395 106.723 13.272 -3.867 1.00 0.00 H new ATOM 0 HA SER A 395 106.319 10.611 -2.616 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.325 12.794 -1.874 1.00 0.00 H new ATOM 0 HB3 SER A 395 107.961 11.412 -0.860 1.00 0.00 H new ATOM 0 HG SER A 395 109.799 11.028 -2.243 1.00 0.00 H new ATOM 1123 N LYS A 396 105.546 11.989 -0.366 1.00 0.00 N ATOM 1124 CA LYS A 396 104.616 12.605 0.574 1.00 0.00 C ATOM 1125 C LYS A 396 105.038 14.037 0.888 1.00 0.00 C ATOM 1126 O LYS A 396 104.209 14.873 1.247 1.00 0.00 O ATOM 1127 CB LYS A 396 104.567 11.791 1.868 1.00 0.00 C ATOM 1128 CG LYS A 396 103.346 12.217 2.695 1.00 0.00 C ATOM 1129 CD LYS A 396 103.302 11.439 4.031 1.00 0.00 C ATOM 1130 CE LYS A 396 104.052 12.208 5.129 1.00 0.00 C ATOM 1131 NZ LYS A 396 105.505 12.264 4.805 1.00 0.00 N ATOM 0 H LYS A 396 106.135 11.259 0.034 1.00 0.00 H new ATOM 0 HA LYS A 396 103.627 12.623 0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 396 104.511 10.727 1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 396 105.480 11.946 2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 396 103.388 13.288 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 396 102.433 12.032 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 396 102.266 11.281 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 396 103.749 10.454 3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 396 103.651 13.218 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 396 103.904 11.721 6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 106.050 12.418 5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 105.798 11.367 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 105.683 13.046 4.143 1.00 0.00 H new ATOM 1145 N GLU A 397 106.331 14.310 0.753 1.00 0.00 N ATOM 1146 CA GLU A 397 106.854 15.644 1.029 1.00 0.00 C ATOM 1147 C GLU A 397 106.174 16.684 0.141 1.00 0.00 C ATOM 1148 O GLU A 397 105.546 17.619 0.635 1.00 0.00 O ATOM 1149 CB GLU A 397 108.364 15.672 0.786 1.00 0.00 C ATOM 1150 CG GLU A 397 109.039 14.606 1.650 1.00 0.00 C ATOM 1151 CD GLU A 397 110.549 14.641 1.436 1.00 0.00 C ATOM 1152 OE1 GLU A 397 110.985 14.255 0.364 1.00 0.00 O ATOM 1153 OE2 GLU A 397 111.247 15.054 2.348 1.00 0.00 O ATOM 0 H GLU A 397 107.032 13.631 0.456 1.00 0.00 H new ATOM 0 HA GLU A 397 106.648 15.885 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 397 108.577 15.490 -0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 397 108.764 16.657 1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 397 108.808 14.778 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 397 108.650 13.620 1.396 1.00 0.00 H new ATOM 1160 N GLU A 398 106.308 16.513 -1.170 1.00 0.00 N ATOM 1161 CA GLU A 398 105.705 17.445 -2.117 1.00 0.00 C ATOM 1162 C GLU A 398 104.183 17.357 -2.068 1.00 0.00 C ATOM 1163 O GLU A 398 103.487 18.344 -2.304 1.00 0.00 O ATOM 1164 CB GLU A 398 106.190 17.134 -3.534 1.00 0.00 C ATOM 1165 CG GLU A 398 107.711 16.970 -3.529 1.00 0.00 C ATOM 1166 CD GLU A 398 108.371 18.243 -3.010 1.00 0.00 C ATOM 1167 OE1 GLU A 398 107.994 19.310 -3.465 1.00 0.00 O ATOM 1168 OE2 GLU A 398 109.243 18.131 -2.164 1.00 0.00 O ATOM 0 H GLU A 398 106.824 15.745 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 398 106.006 18.456 -1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 398 105.717 16.223 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 398 105.903 17.937 -4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 398 107.992 16.123 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 398 108.065 16.752 -4.537 1.00 0.00 H new ATOM 1175 N ALA A 399 103.673 16.168 -1.762 1.00 0.00 N ATOM 1176 CA ALA A 399 102.231 15.963 -1.689 1.00 0.00 C ATOM 1177 C ALA A 399 101.617 16.840 -0.601 1.00 0.00 C ATOM 1178 O ALA A 399 100.555 17.431 -0.792 1.00 0.00 O ATOM 1179 CB ALA A 399 101.926 14.491 -1.401 1.00 0.00 C ATOM 0 H ALA A 399 104.232 15.338 -1.562 1.00 0.00 H new ATOM 0 HA ALA A 399 101.794 16.241 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 399 100.847 14.347 -1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.336 13.872 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.377 14.205 -0.451 1.00 0.00 H new ATOM 1185 N LYS A 400 102.292 16.918 0.542 1.00 0.00 N ATOM 1186 CA LYS A 400 101.802 17.724 1.653 1.00 0.00 C ATOM 1187 C LYS A 400 101.883 19.210 1.313 1.00 0.00 C ATOM 1188 O LYS A 400 101.238 20.040 1.954 1.00 0.00 O ATOM 1189 CB LYS A 400 102.627 17.441 2.909 1.00 0.00 C ATOM 1190 CG LYS A 400 101.988 18.141 4.110 1.00 0.00 C ATOM 1191 CD LYS A 400 102.685 17.691 5.395 1.00 0.00 C ATOM 1192 CE LYS A 400 101.928 18.240 6.605 1.00 0.00 C ATOM 1193 NZ LYS A 400 100.637 17.512 6.756 1.00 0.00 N ATOM 0 H LYS A 400 103.173 16.437 0.722 1.00 0.00 H new ATOM 0 HA LYS A 400 100.760 17.460 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 400 102.680 16.367 3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 400 103.650 17.793 2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 400 102.069 19.222 3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 400 100.925 17.905 4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 400 102.722 16.603 5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 400 103.716 18.046 5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 400 102.530 18.125 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 400 101.743 19.307 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 100.286 17.627 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 99.940 17.899 6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 100.783 16.502 6.557 1.00 0.00 H new ATOM 1207 N LYS A 401 102.681 19.537 0.302 1.00 0.00 N ATOM 1208 CA LYS A 401 102.842 20.926 -0.115 1.00 0.00 C ATOM 1209 C LYS A 401 101.638 21.384 -0.933 1.00 0.00 C ATOM 1210 O LYS A 401 101.202 22.530 -0.826 1.00 0.00 O ATOM 1211 CB LYS A 401 104.115 21.076 -0.950 1.00 0.00 C ATOM 1212 CG LYS A 401 104.483 22.563 -1.076 1.00 0.00 C ATOM 1213 CD LYS A 401 105.458 22.778 -2.256 1.00 0.00 C ATOM 1214 CE LYS A 401 104.682 23.103 -3.541 1.00 0.00 C ATOM 1215 NZ LYS A 401 103.428 22.299 -3.592 1.00 0.00 N ATOM 0 H LYS A 401 103.223 18.865 -0.241 1.00 0.00 H new ATOM 0 HA LYS A 401 102.917 21.547 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 401 104.933 20.528 -0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 401 103.965 20.644 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 401 103.581 23.156 -1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 401 104.940 22.911 -0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 401 106.146 23.591 -2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 401 106.061 21.883 -2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 401 104.444 24.166 -3.574 1.00 0.00 H new ATOM 0 HE3 LYS A 401 105.299 22.887 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 103.021 22.352 -4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 103.641 21.308 -3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 102.746 22.676 -2.903 1.00 0.00 H new ATOM 1229 N ALA A 402 101.104 20.481 -1.750 1.00 0.00 N ATOM 1230 CA ALA A 402 99.951 20.804 -2.582 1.00 0.00 C ATOM 1231 C ALA A 402 98.888 21.533 -1.766 1.00 0.00 C ATOM 1232 O ALA A 402 98.106 22.316 -2.304 1.00 0.00 O ATOM 1233 CB ALA A 402 99.356 19.524 -3.170 1.00 0.00 C ATOM 0 H ALA A 402 101.449 19.527 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 402 100.282 21.455 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 402 98.495 19.774 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 402 100.107 19.020 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 402 99.041 18.864 -2.361 1.00 0.00 H new ATOM 1239 N VAL A 403 98.862 21.268 -0.465 1.00 0.00 N ATOM 1240 CA VAL A 403 97.887 21.903 0.413 1.00 0.00 C ATOM 1241 C VAL A 403 97.885 23.416 0.218 1.00 0.00 C ATOM 1242 O VAL A 403 96.896 23.993 -0.233 1.00 0.00 O ATOM 1243 CB VAL A 403 98.212 21.577 1.872 1.00 0.00 C ATOM 1244 CG1 VAL A 403 97.137 22.174 2.781 1.00 0.00 C ATOM 1245 CG2 VAL A 403 98.249 20.058 2.058 1.00 0.00 C ATOM 0 H VAL A 403 99.499 20.623 0.002 1.00 0.00 H new ATOM 0 HA VAL A 403 96.899 21.518 0.162 1.00 0.00 H new ATOM 0 HB VAL A 403 99.182 22.000 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 403 97.369 21.941 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 403 97.108 23.256 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 403 96.166 21.751 2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 403 98.481 19.824 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 403 97.278 19.636 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 403 99.015 19.631 1.411 1.00 0.00 H new ATOM 1255 N SER A 404 98.998 24.054 0.570 1.00 0.00 N ATOM 1256 CA SER A 404 99.115 25.503 0.441 1.00 0.00 C ATOM 1257 C SER A 404 98.736 25.969 -0.962 1.00 0.00 C ATOM 1258 O SER A 404 98.123 27.023 -1.128 1.00 0.00 O ATOM 1259 CB SER A 404 100.548 25.937 0.750 1.00 0.00 C ATOM 1260 OG SER A 404 100.942 25.396 2.005 1.00 0.00 O ATOM 0 H SER A 404 99.827 23.593 0.945 1.00 0.00 H new ATOM 0 HA SER A 404 98.426 25.959 1.152 1.00 0.00 H new ATOM 0 HB2 SER A 404 101.222 25.593 -0.035 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.614 27.025 0.773 1.00 0.00 H new ATOM 0 HG SER A 404 101.861 25.671 2.206 1.00 0.00 H new ATOM 1266 N THR A 405 99.106 25.185 -1.971 1.00 0.00 N ATOM 1267 CA THR A 405 98.797 25.547 -3.351 1.00 0.00 C ATOM 1268 C THR A 405 97.288 25.583 -3.574 1.00 0.00 C ATOM 1269 O THR A 405 96.750 26.573 -4.072 1.00 0.00 O ATOM 1270 CB THR A 405 99.436 24.546 -4.318 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.665 23.355 -4.346 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.860 24.225 -3.857 1.00 0.00 C ATOM 0 H THR A 405 99.613 24.307 -1.862 1.00 0.00 H new ATOM 0 HA THR A 405 99.204 26.540 -3.541 1.00 0.00 H new ATOM 0 HB THR A 405 99.469 24.979 -5.318 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.500 23.050 -3.429 1.00 0.00 H new ATOM 0 HG21 THR A 405 101.314 23.513 -4.546 1.00 0.00 H new ATOM 0 HG22 THR A 405 101.452 25.140 -3.840 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.830 23.793 -2.857 1.00 0.00 H new ATOM 1280 N LEU A 406 96.609 24.503 -3.202 1.00 0.00 N ATOM 1281 CA LEU A 406 95.161 24.431 -3.367 1.00 0.00 C ATOM 1282 C LEU A 406 94.493 25.630 -2.684 1.00 0.00 C ATOM 1283 O LEU A 406 95.001 26.131 -1.680 1.00 0.00 O ATOM 1284 CB LEU A 406 94.637 23.127 -2.751 1.00 0.00 C ATOM 1285 CG LEU A 406 95.226 21.914 -3.496 1.00 0.00 C ATOM 1286 CD1 LEU A 406 95.162 20.676 -2.597 1.00 0.00 C ATOM 1287 CD2 LEU A 406 94.430 21.637 -4.780 1.00 0.00 C ATOM 0 H LEU A 406 97.033 23.673 -2.788 1.00 0.00 H new ATOM 0 HA LEU A 406 94.923 24.451 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.906 23.081 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.549 23.103 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 406 96.262 22.135 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.579 19.820 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 406 95.737 20.856 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 406 94.124 20.470 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 406 94.858 20.777 -5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 406 93.391 21.427 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 406 94.475 22.510 -5.431 1.00 0.00 H new ATOM 1299 N PRO A 407 93.378 26.103 -3.194 1.00 0.00 N ATOM 1300 CA PRO A 407 92.661 27.270 -2.593 1.00 0.00 C ATOM 1301 C PRO A 407 91.991 26.907 -1.267 1.00 0.00 C ATOM 1302 O PRO A 407 92.008 25.749 -0.848 1.00 0.00 O ATOM 1303 CB PRO A 407 91.624 27.644 -3.663 1.00 0.00 C ATOM 1304 CG PRO A 407 91.353 26.368 -4.391 1.00 0.00 C ATOM 1305 CD PRO A 407 92.674 25.594 -4.388 1.00 0.00 C ATOM 0 HA PRO A 407 93.334 28.092 -2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 407 90.716 28.043 -3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 407 92.008 28.410 -4.336 1.00 0.00 H new ATOM 0 HG2 PRO A 407 90.565 25.798 -3.899 1.00 0.00 H new ATOM 0 HG3 PRO A 407 91.017 26.563 -5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 407 92.507 24.519 -4.326 1.00 0.00 H new ATOM 0 HD3 PRO A 407 93.246 25.776 -5.298 1.00 0.00 H new ATOM 1313 N ALA A 408 91.405 27.904 -0.613 1.00 0.00 N ATOM 1314 CA ALA A 408 90.735 27.681 0.662 1.00 0.00 C ATOM 1315 C ALA A 408 89.539 26.751 0.488 1.00 0.00 C ATOM 1316 O ALA A 408 89.451 25.708 1.137 1.00 0.00 O ATOM 1317 CB ALA A 408 90.265 29.016 1.245 1.00 0.00 C ATOM 0 H ALA A 408 91.380 28.869 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 408 91.445 27.214 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 408 89.765 28.841 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 408 91.125 29.668 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 408 89.570 29.491 0.553 1.00 0.00 H new ATOM 1323 N ASP A 409 88.615 27.139 -0.387 1.00 0.00 N ATOM 1324 CA ASP A 409 87.420 26.337 -0.640 1.00 0.00 C ATOM 1325 C ASP A 409 87.757 24.848 -0.680 1.00 0.00 C ATOM 1326 O ASP A 409 87.008 24.020 -0.162 1.00 0.00 O ATOM 1327 CB ASP A 409 86.787 26.752 -1.969 1.00 0.00 C ATOM 1328 CG ASP A 409 85.405 26.121 -2.109 1.00 0.00 C ATOM 1329 OD1 ASP A 409 84.450 26.728 -1.653 1.00 0.00 O ATOM 1330 OD2 ASP A 409 85.324 25.040 -2.668 1.00 0.00 O ATOM 0 H ASP A 409 88.670 28.000 -0.931 1.00 0.00 H new ATOM 0 HA ASP A 409 86.716 26.511 0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 409 86.707 27.838 -2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 409 87.424 26.441 -2.797 1.00 0.00 H new ATOM 1335 N VAL A 410 88.886 24.515 -1.296 1.00 0.00 N ATOM 1336 CA VAL A 410 89.312 23.121 -1.396 1.00 0.00 C ATOM 1337 C VAL A 410 90.006 22.682 -0.111 1.00 0.00 C ATOM 1338 O VAL A 410 89.769 21.582 0.390 1.00 0.00 O ATOM 1339 CB VAL A 410 90.266 22.952 -2.581 1.00 0.00 C ATOM 1340 CG1 VAL A 410 90.794 21.516 -2.613 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.517 23.247 -3.884 1.00 0.00 C ATOM 0 H VAL A 410 89.520 25.185 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 410 88.431 22.498 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 410 91.102 23.644 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.473 21.397 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.327 21.303 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 410 89.959 20.824 -2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.195 23.127 -4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 410 88.682 22.555 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 410 89.140 24.270 -3.864 1.00 0.00 H new ATOM 1351 N GLN A 411 90.866 23.546 0.418 1.00 0.00 N ATOM 1352 CA GLN A 411 91.592 23.234 1.644 1.00 0.00 C ATOM 1353 C GLN A 411 90.622 23.007 2.801 1.00 0.00 C ATOM 1354 O GLN A 411 90.920 22.266 3.737 1.00 0.00 O ATOM 1355 CB GLN A 411 92.547 24.377 1.991 1.00 0.00 C ATOM 1356 CG GLN A 411 93.563 23.902 3.034 1.00 0.00 C ATOM 1357 CD GLN A 411 94.583 25.003 3.307 1.00 0.00 C ATOM 1358 OE1 GLN A 411 94.840 25.338 4.463 1.00 0.00 O ATOM 1359 NE2 GLN A 411 95.180 25.590 2.306 1.00 0.00 N ATOM 0 H GLN A 411 91.076 24.461 0.021 1.00 0.00 H new ATOM 0 HA GLN A 411 92.164 22.320 1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 411 93.064 24.717 1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.986 25.228 2.377 1.00 0.00 H new ATOM 0 HG2 GLN A 411 93.050 23.633 3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 411 94.070 23.005 2.678 1.00 0.00 H new ATOM 0 HE21 GLN A 411 94.965 25.310 1.349 1.00 0.00 H new ATOM 0 HE22 GLN A 411 95.862 26.328 2.481 1.00 0.00 H new ATOM 1368 N ALA A 412 89.460 23.650 2.729 1.00 0.00 N ATOM 1369 CA ALA A 412 88.454 23.510 3.777 1.00 0.00 C ATOM 1370 C ALA A 412 88.063 22.046 3.951 1.00 0.00 C ATOM 1371 O ALA A 412 87.765 21.599 5.059 1.00 0.00 O ATOM 1372 CB ALA A 412 87.214 24.333 3.425 1.00 0.00 C ATOM 0 H ALA A 412 89.193 24.268 1.963 1.00 0.00 H new ATOM 0 HA ALA A 412 88.878 23.875 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 412 86.468 24.223 4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 412 87.489 25.383 3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 412 86.799 23.980 2.481 1.00 0.00 H new ATOM 1378 N LYS A 413 88.071 21.304 2.850 1.00 0.00 N ATOM 1379 CA LYS A 413 87.720 19.888 2.887 1.00 0.00 C ATOM 1380 C LYS A 413 88.857 19.088 3.508 1.00 0.00 C ATOM 1381 O LYS A 413 88.793 17.862 3.605 1.00 0.00 O ATOM 1382 CB LYS A 413 87.440 19.373 1.469 1.00 0.00 C ATOM 1383 CG LYS A 413 86.757 20.469 0.653 1.00 0.00 C ATOM 1384 CD LYS A 413 85.489 20.937 1.377 1.00 0.00 C ATOM 1385 CE LYS A 413 84.607 21.728 0.409 1.00 0.00 C ATOM 1386 NZ LYS A 413 83.345 22.121 1.095 1.00 0.00 N ATOM 0 H LYS A 413 88.315 21.656 1.924 1.00 0.00 H new ATOM 0 HA LYS A 413 86.821 19.766 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 413 88.372 19.075 0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 413 86.806 18.488 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 413 87.438 21.308 0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 413 86.504 20.094 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 413 84.941 20.078 1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 413 85.755 21.558 2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 413 85.136 22.615 0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 413 84.383 21.125 -0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 82.745 22.659 0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 82.839 21.268 1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 83.568 22.712 1.921 1.00 0.00 H new ATOM 1400 N ASN A 414 89.898 19.797 3.922 1.00 0.00 N ATOM 1401 CA ASN A 414 91.054 19.160 4.530 1.00 0.00 C ATOM 1402 C ASN A 414 91.531 17.982 3.683 1.00 0.00 C ATOM 1403 O ASN A 414 91.366 16.823 4.065 1.00 0.00 O ATOM 1404 CB ASN A 414 90.707 18.674 5.938 1.00 0.00 C ATOM 1405 CG ASN A 414 91.890 17.920 6.538 1.00 0.00 C ATOM 1406 OD1 ASN A 414 92.998 17.977 6.004 1.00 0.00 O ATOM 1407 ND2 ASN A 414 91.720 17.214 7.622 1.00 0.00 N ATOM 0 H ASN A 414 89.964 20.812 3.847 1.00 0.00 H new ATOM 0 HA ASN A 414 91.856 19.895 4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 414 90.448 19.523 6.571 1.00 0.00 H new ATOM 0 HB3 ASN A 414 89.832 18.025 5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 414 92.506 16.707 8.029 1.00 0.00 H new ATOM 0 HD22 ASN A 414 90.801 17.169 8.062 1.00 0.00 H new ATOM 1414 N PRO A 415 92.118 18.261 2.548 1.00 0.00 N ATOM 1415 CA PRO A 415 92.634 17.207 1.626 1.00 0.00 C ATOM 1416 C PRO A 415 93.434 16.134 2.367 1.00 0.00 C ATOM 1417 O PRO A 415 94.636 16.282 2.584 1.00 0.00 O ATOM 1418 CB PRO A 415 93.520 17.994 0.653 1.00 0.00 C ATOM 1419 CG PRO A 415 92.916 19.361 0.613 1.00 0.00 C ATOM 1420 CD PRO A 415 92.354 19.615 2.016 1.00 0.00 C ATOM 0 HA PRO A 415 91.834 16.658 1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 415 94.554 18.027 0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.528 17.535 -0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 415 93.663 20.110 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 415 92.129 19.418 -0.139 1.00 0.00 H new ATOM 0 HD2 PRO A 415 93.058 20.171 2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 415 91.433 20.197 1.979 1.00 0.00 H new ATOM 1428 N TRP A 416 92.754 15.059 2.752 1.00 0.00 N ATOM 1429 CA TRP A 416 93.408 13.967 3.469 1.00 0.00 C ATOM 1430 C TRP A 416 94.145 13.050 2.495 1.00 0.00 C ATOM 1431 O TRP A 416 93.721 12.873 1.352 1.00 0.00 O ATOM 1432 CB TRP A 416 92.369 13.167 4.268 1.00 0.00 C ATOM 1433 CG TRP A 416 91.516 12.352 3.344 1.00 0.00 C ATOM 1434 CD1 TRP A 416 90.625 12.855 2.456 1.00 0.00 C ATOM 1435 CD2 TRP A 416 91.455 10.903 3.207 1.00 0.00 C ATOM 1436 NE1 TRP A 416 90.025 11.806 1.783 1.00 0.00 N ATOM 1437 CE2 TRP A 416 90.503 10.583 2.210 1.00 0.00 C ATOM 1438 CE3 TRP A 416 92.128 9.845 3.845 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 90.229 9.261 1.858 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 91.854 8.513 3.493 1.00 0.00 C ATOM 1441 CH2 TRP A 416 90.907 8.222 2.502 1.00 0.00 C ATOM 0 H TRP A 416 91.758 14.920 2.582 1.00 0.00 H new ATOM 0 HA TRP A 416 94.137 14.392 4.160 1.00 0.00 H new ATOM 0 HB2 TRP A 416 92.873 12.513 4.980 1.00 0.00 H new ATOM 0 HB3 TRP A 416 91.743 13.847 4.847 1.00 0.00 H new ATOM 0 HD1 TRP A 416 90.417 13.903 2.299 1.00 0.00 H new ATOM 0 HE1 TRP A 416 89.316 11.922 1.059 1.00 0.00 H new ATOM 0 HE3 TRP A 416 92.860 10.058 4.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 89.498 9.042 1.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 92.376 7.708 3.989 1.00 0.00 H new ATOM 0 HH2 TRP A 416 90.701 7.196 2.236 1.00 0.00 H new ATOM 1452 N ALA A 417 95.248 12.469 2.955 1.00 0.00 N ATOM 1453 CA ALA A 417 96.034 11.572 2.116 1.00 0.00 C ATOM 1454 C ALA A 417 95.164 10.433 1.593 1.00 0.00 C ATOM 1455 O ALA A 417 94.127 10.117 2.175 1.00 0.00 O ATOM 1456 CB ALA A 417 97.204 10.999 2.917 1.00 0.00 C ATOM 0 H ALA A 417 95.616 12.602 3.897 1.00 0.00 H new ATOM 0 HA ALA A 417 96.420 12.139 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 417 97.786 10.330 2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 417 97.840 11.813 3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 417 96.821 10.445 3.774 1.00 0.00 H new ATOM 1462 N LYS A 418 95.590 9.821 0.491 1.00 0.00 N ATOM 1463 CA LYS A 418 94.838 8.718 -0.101 1.00 0.00 C ATOM 1464 C LYS A 418 95.765 7.804 -0.902 1.00 0.00 C ATOM 1465 O LYS A 418 95.878 7.940 -2.121 1.00 0.00 O ATOM 1466 CB LYS A 418 93.755 9.275 -1.028 1.00 0.00 C ATOM 1467 CG LYS A 418 92.783 8.157 -1.410 1.00 0.00 C ATOM 1468 CD LYS A 418 91.802 8.674 -2.464 1.00 0.00 C ATOM 1469 CE LYS A 418 90.695 7.640 -2.682 1.00 0.00 C ATOM 1470 NZ LYS A 418 91.291 6.273 -2.713 1.00 0.00 N ATOM 0 H LYS A 418 96.445 10.068 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 418 94.379 8.140 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.218 10.084 -0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 418 94.210 9.697 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 418 93.332 7.299 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 418 92.240 7.815 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 418 91.371 9.622 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 418 92.326 8.865 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 418 89.956 7.708 -1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 418 90.173 7.842 -3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 90.634 5.619 -3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 92.190 6.298 -3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 91.465 5.948 -1.741 1.00 0.00 H new ATOM 1484 N PRO A 419 96.423 6.877 -0.249 1.00 0.00 N ATOM 1485 CA PRO A 419 97.352 5.923 -0.926 1.00 0.00 C ATOM 1486 C PRO A 419 96.700 5.245 -2.132 1.00 0.00 C ATOM 1487 O PRO A 419 95.596 4.710 -2.033 1.00 0.00 O ATOM 1488 CB PRO A 419 97.690 4.904 0.174 1.00 0.00 C ATOM 1489 CG PRO A 419 97.501 5.650 1.456 1.00 0.00 C ATOM 1490 CD PRO A 419 96.362 6.640 1.204 1.00 0.00 C ATOM 0 HA PRO A 419 98.233 6.421 -1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 419 97.035 4.034 0.122 1.00 0.00 H new ATOM 0 HB3 PRO A 419 98.713 4.540 0.075 1.00 0.00 H new ATOM 0 HG2 PRO A 419 97.253 4.969 2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 419 98.415 6.171 1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 419 95.399 6.227 1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 419 96.501 7.563 1.767 1.00 0.00 H new ATOM 1498 N LEU A 420 97.392 5.271 -3.266 1.00 0.00 N ATOM 1499 CA LEU A 420 96.870 4.654 -4.481 1.00 0.00 C ATOM 1500 C LEU A 420 96.844 3.136 -4.339 1.00 0.00 C ATOM 1501 O LEU A 420 96.333 2.432 -5.209 1.00 0.00 O ATOM 1502 CB LEU A 420 97.739 5.039 -5.681 1.00 0.00 C ATOM 1503 CG LEU A 420 97.981 6.551 -5.684 1.00 0.00 C ATOM 1504 CD1 LEU A 420 98.901 6.913 -6.852 1.00 0.00 C ATOM 1505 CD2 LEU A 420 96.644 7.288 -5.836 1.00 0.00 C ATOM 0 H LEU A 420 98.308 5.708 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 420 95.853 5.013 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 420 98.691 4.509 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 420 97.249 4.738 -6.607 1.00 0.00 H new ATOM 0 HG LEU A 420 98.449 6.846 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 420 99.076 7.989 -6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 420 99.852 6.392 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 420 98.432 6.617 -7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 420 96.820 8.364 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 420 96.172 6.996 -6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 420 95.989 7.029 -5.004 1.00 0.00 H new ATOM 1517 N ARG A 421 97.399 2.640 -3.237 1.00 0.00 N ATOM 1518 CA ARG A 421 97.440 1.202 -2.985 1.00 0.00 C ATOM 1519 C ARG A 421 96.137 0.531 -3.417 1.00 0.00 C ATOM 1520 O ARG A 421 96.151 -0.543 -4.018 1.00 0.00 O ATOM 1521 CB ARG A 421 97.679 0.944 -1.496 1.00 0.00 C ATOM 1522 CG ARG A 421 99.125 1.293 -1.142 1.00 0.00 C ATOM 1523 CD ARG A 421 99.344 1.105 0.360 1.00 0.00 C ATOM 1524 NE ARG A 421 100.730 1.395 0.709 1.00 0.00 N ATOM 1525 CZ ARG A 421 101.707 0.547 0.403 1.00 0.00 C ATOM 1526 NH1 ARG A 421 101.432 -0.567 -0.219 1.00 0.00 N ATOM 1527 NH2 ARG A 421 102.939 0.829 0.724 1.00 0.00 N ATOM 0 H ARG A 421 97.825 3.210 -2.506 1.00 0.00 H new ATOM 0 HA ARG A 421 98.257 0.777 -3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 421 96.993 1.543 -0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 421 97.478 -0.101 -1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 421 99.811 0.658 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 421 99.341 2.323 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 421 98.676 1.762 0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 421 99.096 0.083 0.646 1.00 0.00 H new ATOM 0 HE ARG A 421 100.953 2.263 1.196 1.00 0.00 H new ATOM 0 HH11 ARG A 421 100.468 -0.786 -0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 421 102.181 -1.218 -0.454 1.00 0.00 H new ATOM 0 HH21 ARG A 421 103.153 1.700 1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 421 103.689 0.179 0.489 1.00 0.00 H new ATOM 1541 N GLN A 422 95.013 1.171 -3.107 1.00 0.00 N ATOM 1542 CA GLN A 422 93.707 0.627 -3.468 1.00 0.00 C ATOM 1543 C GLN A 422 93.355 0.989 -4.906 1.00 0.00 C ATOM 1544 O GLN A 422 93.087 0.111 -5.727 1.00 0.00 O ATOM 1545 CB GLN A 422 92.633 1.172 -2.525 1.00 0.00 C ATOM 1546 CG GLN A 422 93.057 0.932 -1.075 1.00 0.00 C ATOM 1547 CD GLN A 422 91.921 1.308 -0.131 1.00 0.00 C ATOM 1548 OE1 GLN A 422 91.102 0.460 0.227 1.00 0.00 O ATOM 1549 NE2 GLN A 422 91.820 2.537 0.298 1.00 0.00 N ATOM 0 H GLN A 422 94.979 2.061 -2.610 1.00 0.00 H new ATOM 0 HA GLN A 422 93.750 -0.458 -3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 422 92.487 2.238 -2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 422 91.679 0.683 -2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 422 93.326 -0.115 -0.935 1.00 0.00 H new ATOM 0 HG3 GLN A 422 93.943 1.523 -0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 422 92.499 3.238 0.001 1.00 0.00 H new ATOM 0 HE22 GLN A 422 91.063 2.796 0.930 1.00 0.00 H new ATOM 1558 N VAL A 423 93.353 2.287 -5.204 1.00 0.00 N ATOM 1559 CA VAL A 423 93.030 2.759 -6.549 1.00 0.00 C ATOM 1560 C VAL A 423 93.640 1.844 -7.607 1.00 0.00 C ATOM 1561 O VAL A 423 93.166 1.788 -8.743 1.00 0.00 O ATOM 1562 CB VAL A 423 93.555 4.180 -6.743 1.00 0.00 C ATOM 1563 CG1 VAL A 423 93.043 4.738 -8.072 1.00 0.00 C ATOM 1564 CG2 VAL A 423 93.065 5.066 -5.596 1.00 0.00 C ATOM 0 H VAL A 423 93.570 3.027 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 423 91.946 2.750 -6.661 1.00 0.00 H new ATOM 0 HB VAL A 423 94.645 4.165 -6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 423 93.418 5.752 -8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 423 93.392 4.108 -8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 423 91.953 4.752 -8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 423 93.440 6.080 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 423 91.975 5.080 -5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 423 93.431 4.670 -4.649 1.00 0.00 H new ATOM 1574 N GLN A 424 94.687 1.121 -7.224 1.00 0.00 N ATOM 1575 CA GLN A 424 95.343 0.202 -8.146 1.00 0.00 C ATOM 1576 C GLN A 424 94.342 -0.832 -8.650 1.00 0.00 C ATOM 1577 O GLN A 424 94.665 -1.671 -9.490 1.00 0.00 O ATOM 1578 CB GLN A 424 96.512 -0.503 -7.446 1.00 0.00 C ATOM 1579 CG GLN A 424 97.713 0.446 -7.359 1.00 0.00 C ATOM 1580 CD GLN A 424 98.717 -0.075 -6.336 1.00 0.00 C ATOM 1581 OE1 GLN A 424 99.354 0.711 -5.634 1.00 0.00 O ATOM 1582 NE2 GLN A 424 98.899 -1.361 -6.209 1.00 0.00 N ATOM 0 H GLN A 424 95.096 1.153 -6.290 1.00 0.00 H new ATOM 0 HA GLN A 424 95.728 0.769 -8.994 1.00 0.00 H new ATOM 0 HB2 GLN A 424 96.213 -0.818 -6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 424 96.787 -1.403 -7.995 1.00 0.00 H new ATOM 0 HG2 GLN A 424 98.189 0.534 -8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 424 97.378 1.444 -7.077 1.00 0.00 H new ATOM 0 HE21 GLN A 424 98.371 -2.011 -6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 424 99.570 -1.716 -5.528 1.00 0.00 H new