USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=24 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 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 373 TYR OH : rot 150:sc= 0 USER MOD Single : A 345 SER OG : rot 2:sc= 0.392! USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot 68:sc= -0.302 USER MOD Single : A 351 GLN : amide:sc= -15.7! C(o=-16!,f=-20!) USER MOD Single : A 353 SER OG : rot 180:sc= -0.513 USER MOD Single : A 354 SER OG : rot -150:sc= -0.12 USER MOD Single : A 355 SER OG : rot 65:sc= 0.217 USER MOD Single : A 356 SER OG : rot -67:sc= 1.18 USER MOD Single : A 357 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3!) USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 ASN : amide:sc= -1.69 K(o=-1.7,f=-6.5!) USER MOD Single : A 362 ASN : amide:sc= -5.15! C(o=-5.2!,f=-8!) USER MOD Single : A 367 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0467) USER MOD Single : A 369 ASN : amide:sc= -1.15 K(o=-1.1,f=-1.9) USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.43) USER MOD Single : A 376 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 THR OG1 : rot -45:sc= 0.797 USER MOD Single : A 379 THR OG1 : rot 180:sc= -0.0189 USER MOD Single : A 381 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 383 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.28) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 390 SER OG : rot 42:sc= 0.959 USER MOD Single : A 393 TYR OH : rot 180:sc= -0.0528 USER MOD Single : A 395 SER OG : rot 180:sc= -0.189! USER MOD Single : A 396 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 401 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0427) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 THR OG1 : rot -99:sc= 0.59 USER MOD Single : A 411 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 413 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0145) USER MOD Single : A 414 ASN : amide:sc= -0.0794 K(o=-0.079,f=-2.2!) USER MOD Single : A 418 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0409) USER MOD Single : A 422 GLN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 424 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 103.885 3.374 -8.625 1.00 0.00 N ATOM 322 CA SER A 345 103.048 3.236 -7.435 1.00 0.00 C ATOM 323 C SER A 345 103.666 3.976 -6.252 1.00 0.00 C ATOM 324 O SER A 345 103.020 4.165 -5.222 1.00 0.00 O ATOM 325 CB SER A 345 102.887 1.756 -7.083 1.00 0.00 C ATOM 326 OG SER A 345 102.376 1.641 -5.762 1.00 0.00 O ATOM 0 HA SER A 345 102.071 3.670 -7.649 1.00 0.00 H new ATOM 0 HB2 SER A 345 102.212 1.273 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 345 103.847 1.245 -7.160 1.00 0.00 H new ATOM 0 HG SER A 345 102.224 2.535 -5.391 1.00 0.00 H new ATOM 332 N SER A 346 104.921 4.390 -6.407 1.00 0.00 N ATOM 333 CA SER A 346 105.618 5.106 -5.342 1.00 0.00 C ATOM 334 C SER A 346 105.248 6.586 -5.353 1.00 0.00 C ATOM 335 O SER A 346 105.814 7.381 -4.603 1.00 0.00 O ATOM 336 CB SER A 346 107.129 4.957 -5.518 1.00 0.00 C ATOM 337 OG SER A 346 107.508 3.622 -5.212 1.00 0.00 O ATOM 0 H SER A 346 105.473 4.244 -7.252 1.00 0.00 H new ATOM 0 HA SER A 346 105.316 4.677 -4.386 1.00 0.00 H new ATOM 0 HB2 SER A 346 107.413 5.203 -6.541 1.00 0.00 H new ATOM 0 HB3 SER A 346 107.653 5.655 -4.865 1.00 0.00 H new ATOM 0 HG SER A 346 108.476 3.523 -5.326 1.00 0.00 H new ATOM 343 N HIS A 347 104.294 6.952 -6.205 1.00 0.00 N ATOM 344 CA HIS A 347 103.857 8.342 -6.303 1.00 0.00 C ATOM 345 C HIS A 347 102.790 8.638 -5.251 1.00 0.00 C ATOM 346 O HIS A 347 101.918 7.811 -4.988 1.00 0.00 O ATOM 347 CB HIS A 347 103.294 8.617 -7.703 1.00 0.00 C ATOM 348 CG HIS A 347 104.423 8.751 -8.690 1.00 0.00 C ATOM 349 ND1 HIS A 347 104.214 9.157 -9.999 1.00 0.00 N ATOM 350 CD2 HIS A 347 105.774 8.541 -8.574 1.00 0.00 C ATOM 351 CE1 HIS A 347 105.410 9.178 -10.614 1.00 0.00 C ATOM 352 NE2 HIS A 347 106.396 8.812 -9.789 1.00 0.00 N ATOM 0 H HIS A 347 103.811 6.310 -6.834 1.00 0.00 H new ATOM 0 HA HIS A 347 104.715 8.990 -6.127 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.630 7.806 -8.004 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.698 9.530 -7.692 1.00 0.00 H new ATOM 0 HD2 HIS A 347 106.278 8.215 -7.676 1.00 0.00 H new ATOM 0 HE1 HIS A 347 105.556 9.456 -11.647 1.00 0.00 H new ATOM 0 HE2 HIS A 347 107.391 8.746 -10.004 1.00 0.00 H new ATOM 361 N TYR A 348 102.870 9.827 -4.652 1.00 0.00 N ATOM 362 CA TYR A 348 101.910 10.239 -3.625 1.00 0.00 C ATOM 363 C TYR A 348 100.917 11.242 -4.215 1.00 0.00 C ATOM 364 O TYR A 348 101.258 12.016 -5.109 1.00 0.00 O ATOM 365 CB TYR A 348 102.675 10.866 -2.427 1.00 0.00 C ATOM 366 CG TYR A 348 102.359 10.128 -1.141 1.00 0.00 C ATOM 367 CD1 TYR A 348 103.091 8.987 -0.791 1.00 0.00 C ATOM 368 CD2 TYR A 348 101.335 10.585 -0.304 1.00 0.00 C ATOM 369 CE1 TYR A 348 102.801 8.305 0.396 1.00 0.00 C ATOM 370 CE2 TYR A 348 101.044 9.903 0.884 1.00 0.00 C ATOM 371 CZ TYR A 348 101.777 8.763 1.234 1.00 0.00 C ATOM 372 OH TYR A 348 101.490 8.090 2.404 1.00 0.00 O ATOM 0 H TYR A 348 103.588 10.521 -4.859 1.00 0.00 H new ATOM 0 HA TYR A 348 101.353 9.371 -3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 348 103.748 10.832 -2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 348 102.402 11.916 -2.325 1.00 0.00 H new ATOM 0 HD1 TYR A 348 103.880 8.633 -1.438 1.00 0.00 H new ATOM 0 HD2 TYR A 348 100.769 11.464 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 348 103.367 7.426 0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 348 100.254 10.257 1.530 1.00 0.00 H new ATOM 0 HH TYR A 348 100.754 8.540 2.868 1.00 0.00 H new ATOM 382 N THR A 349 99.688 11.217 -3.705 1.00 0.00 N ATOM 383 CA THR A 349 98.640 12.120 -4.180 1.00 0.00 C ATOM 384 C THR A 349 97.775 12.585 -3.011 1.00 0.00 C ATOM 385 O THR A 349 97.972 12.161 -1.872 1.00 0.00 O ATOM 386 CB THR A 349 97.763 11.397 -5.213 1.00 0.00 C ATOM 387 OG1 THR A 349 97.518 10.069 -4.773 1.00 0.00 O ATOM 388 CG2 THR A 349 98.472 11.361 -6.571 1.00 0.00 C ATOM 0 H THR A 349 99.392 10.582 -2.963 1.00 0.00 H new ATOM 0 HA THR A 349 99.107 12.989 -4.643 1.00 0.00 H new ATOM 0 HB THR A 349 96.819 11.932 -5.318 1.00 0.00 H new ATOM 0 HG1 THR A 349 96.943 10.088 -3.980 1.00 0.00 H new ATOM 0 HG21 THR A 349 97.842 10.846 -7.297 1.00 0.00 H new ATOM 0 HG22 THR A 349 98.659 12.380 -6.911 1.00 0.00 H new ATOM 0 HG23 THR A 349 99.420 10.831 -6.473 1.00 0.00 H new ATOM 396 N LEU A 350 96.813 13.458 -3.305 1.00 0.00 N ATOM 397 CA LEU A 350 95.908 13.983 -2.280 1.00 0.00 C ATOM 398 C LEU A 350 94.465 13.892 -2.755 1.00 0.00 C ATOM 399 O LEU A 350 94.201 13.571 -3.914 1.00 0.00 O ATOM 400 CB LEU A 350 96.243 15.449 -1.968 1.00 0.00 C ATOM 401 CG LEU A 350 97.771 15.628 -1.779 1.00 0.00 C ATOM 402 CD1 LEU A 350 98.429 16.017 -3.111 1.00 0.00 C ATOM 403 CD2 LEU A 350 98.041 16.736 -0.750 1.00 0.00 C ATOM 0 H LEU A 350 96.639 13.817 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 350 96.033 13.385 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 350 95.893 16.089 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.720 15.764 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 350 98.190 14.685 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 350 99.502 16.140 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 350 98.251 15.234 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 350 98.002 16.954 -3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 350 99.116 16.858 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 350 97.609 17.673 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 350 97.589 16.464 0.204 1.00 0.00 H new ATOM 415 N GLN A 351 93.530 14.174 -1.850 1.00 0.00 N ATOM 416 CA GLN A 351 92.104 14.124 -2.171 1.00 0.00 C ATOM 417 C GLN A 351 91.513 15.532 -2.153 1.00 0.00 C ATOM 418 O GLN A 351 91.672 16.269 -1.180 1.00 0.00 O ATOM 419 CB GLN A 351 91.383 13.241 -1.143 1.00 0.00 C ATOM 420 CG GLN A 351 90.054 12.746 -1.716 1.00 0.00 C ATOM 421 CD GLN A 351 89.135 13.926 -1.992 1.00 0.00 C ATOM 422 OE1 GLN A 351 88.848 14.230 -3.150 1.00 0.00 O ATOM 423 NE2 GLN A 351 88.655 14.616 -0.994 1.00 0.00 N ATOM 0 H GLN A 351 93.734 14.440 -0.887 1.00 0.00 H new ATOM 0 HA GLN A 351 91.973 13.703 -3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 351 92.012 12.392 -0.877 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.206 13.806 -0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 351 90.230 12.189 -2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 351 89.579 12.061 -1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 351 88.895 14.361 -0.036 1.00 0.00 H new ATOM 0 HE22 GLN A 351 88.040 15.410 -1.172 1.00 0.00 H new ATOM 432 N LEU A 352 90.833 15.901 -3.235 1.00 0.00 N ATOM 433 CA LEU A 352 90.229 17.226 -3.328 1.00 0.00 C ATOM 434 C LEU A 352 88.928 17.278 -2.533 1.00 0.00 C ATOM 435 O LEU A 352 88.804 18.047 -1.580 1.00 0.00 O ATOM 436 CB LEU A 352 89.948 17.573 -4.794 1.00 0.00 C ATOM 437 CG LEU A 352 91.253 17.963 -5.494 1.00 0.00 C ATOM 438 CD1 LEU A 352 92.257 16.809 -5.396 1.00 0.00 C ATOM 439 CD2 LEU A 352 90.962 18.271 -6.966 1.00 0.00 C ATOM 0 H LEU A 352 90.687 15.308 -4.052 1.00 0.00 H new ATOM 0 HA LEU A 352 90.927 17.952 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 352 89.495 16.720 -5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 352 89.234 18.394 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 352 91.676 18.845 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 352 93.184 17.090 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 352 92.461 16.592 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 352 91.841 15.923 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 352 91.888 18.549 -7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 352 90.539 17.388 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 352 90.251 19.095 -7.032 1.00 0.00 H new ATOM 451 N SER A 353 87.956 16.461 -2.934 1.00 0.00 N ATOM 452 CA SER A 353 86.662 16.428 -2.251 1.00 0.00 C ATOM 453 C SER A 353 86.035 15.042 -2.337 1.00 0.00 C ATOM 454 O SER A 353 86.485 14.189 -3.101 1.00 0.00 O ATOM 455 CB SER A 353 85.719 17.449 -2.881 1.00 0.00 C ATOM 456 OG SER A 353 84.609 17.659 -2.018 1.00 0.00 O ATOM 0 H SER A 353 88.037 15.818 -3.721 1.00 0.00 H new ATOM 0 HA SER A 353 86.825 16.673 -1.201 1.00 0.00 H new ATOM 0 HB2 SER A 353 86.244 18.389 -3.052 1.00 0.00 H new ATOM 0 HB3 SER A 353 85.377 17.094 -3.853 1.00 0.00 H new ATOM 0 HG SER A 353 84.002 18.316 -2.419 1.00 0.00 H new ATOM 462 N SER A 354 84.987 14.827 -1.542 1.00 0.00 N ATOM 463 CA SER A 354 84.289 13.542 -1.522 1.00 0.00 C ATOM 464 C SER A 354 82.783 13.755 -1.399 1.00 0.00 C ATOM 465 O SER A 354 82.328 14.825 -0.996 1.00 0.00 O ATOM 466 CB SER A 354 84.782 12.701 -0.344 1.00 0.00 C ATOM 467 OG SER A 354 84.110 11.448 -0.347 1.00 0.00 O ATOM 0 H SER A 354 84.603 15.525 -0.905 1.00 0.00 H new ATOM 0 HA SER A 354 84.498 13.020 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 354 85.859 12.549 -0.416 1.00 0.00 H new ATOM 0 HB3 SER A 354 84.596 13.224 0.594 1.00 0.00 H new ATOM 0 HG SER A 354 84.030 11.118 0.572 1.00 0.00 H new ATOM 473 N SER A 355 82.018 12.726 -1.747 1.00 0.00 N ATOM 474 CA SER A 355 80.564 12.800 -1.673 1.00 0.00 C ATOM 475 C SER A 355 79.952 11.493 -2.182 1.00 0.00 C ATOM 476 O SER A 355 80.668 10.536 -2.474 1.00 0.00 O ATOM 477 CB SER A 355 80.055 14.007 -2.487 1.00 0.00 C ATOM 478 OG SER A 355 79.525 14.977 -1.594 1.00 0.00 O ATOM 0 H SER A 355 82.380 11.833 -2.082 1.00 0.00 H new ATOM 0 HA SER A 355 80.260 12.939 -0.636 1.00 0.00 H new ATOM 0 HB2 SER A 355 80.869 14.437 -3.071 1.00 0.00 H new ATOM 0 HB3 SER A 355 79.289 13.688 -3.194 1.00 0.00 H new ATOM 0 HG SER A 355 80.243 15.325 -1.025 1.00 0.00 H new ATOM 484 N SER A 356 78.622 11.457 -2.282 1.00 0.00 N ATOM 485 CA SER A 356 77.919 10.258 -2.751 1.00 0.00 C ATOM 486 C SER A 356 76.948 10.604 -3.874 1.00 0.00 C ATOM 487 O SER A 356 75.825 10.101 -3.915 1.00 0.00 O ATOM 488 CB SER A 356 77.149 9.628 -1.592 1.00 0.00 C ATOM 489 OG SER A 356 76.368 8.544 -2.080 1.00 0.00 O ATOM 0 H SER A 356 78.011 12.239 -2.046 1.00 0.00 H new ATOM 0 HA SER A 356 78.658 9.553 -3.132 1.00 0.00 H new ATOM 0 HB2 SER A 356 77.843 9.276 -0.828 1.00 0.00 H new ATOM 0 HB3 SER A 356 76.506 10.371 -1.121 1.00 0.00 H new ATOM 0 HG SER A 356 75.666 8.887 -2.672 1.00 0.00 H new ATOM 495 N ASN A 357 77.387 11.465 -4.786 1.00 0.00 N ATOM 496 CA ASN A 357 76.545 11.869 -5.908 1.00 0.00 C ATOM 497 C ASN A 357 77.394 12.442 -7.039 1.00 0.00 C ATOM 498 O ASN A 357 78.227 13.321 -6.821 1.00 0.00 O ATOM 499 CB ASN A 357 75.525 12.912 -5.444 1.00 0.00 C ATOM 500 CG ASN A 357 74.433 12.244 -4.616 1.00 0.00 C ATOM 501 OD1 ASN A 357 73.803 11.290 -5.072 1.00 0.00 O ATOM 502 ND2 ASN A 357 74.168 12.691 -3.419 1.00 0.00 N ATOM 0 H ASN A 357 78.312 11.894 -4.772 1.00 0.00 H new ATOM 0 HA ASN A 357 76.019 10.990 -6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 357 76.022 13.680 -4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.084 13.410 -6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 357 73.438 12.250 -2.860 1.00 0.00 H new ATOM 0 HD22 ASN A 357 74.691 13.482 -3.043 1.00 0.00 H new ATOM 509 N TYR A 358 77.172 11.936 -8.249 1.00 0.00 N ATOM 510 CA TYR A 358 77.918 12.400 -9.413 1.00 0.00 C ATOM 511 C TYR A 358 77.378 13.744 -9.892 1.00 0.00 C ATOM 512 O TYR A 358 78.100 14.741 -9.921 1.00 0.00 O ATOM 513 CB TYR A 358 77.809 11.372 -10.541 1.00 0.00 C ATOM 514 CG TYR A 358 78.597 11.846 -11.741 1.00 0.00 C ATOM 515 CD1 TYR A 358 78.046 12.797 -12.609 1.00 0.00 C ATOM 516 CD2 TYR A 358 79.877 11.333 -11.987 1.00 0.00 C ATOM 517 CE1 TYR A 358 78.775 13.234 -13.721 1.00 0.00 C ATOM 518 CE2 TYR A 358 80.605 11.770 -13.099 1.00 0.00 C ATOM 519 CZ TYR A 358 80.054 12.720 -13.967 1.00 0.00 C ATOM 520 OH TYR A 358 80.772 13.152 -15.063 1.00 0.00 O ATOM 0 H TYR A 358 76.485 11.209 -8.448 1.00 0.00 H new ATOM 0 HA TYR A 358 78.964 12.522 -9.131 1.00 0.00 H new ATOM 0 HB2 TYR A 358 78.187 10.407 -10.204 1.00 0.00 H new ATOM 0 HB3 TYR A 358 76.764 11.227 -10.814 1.00 0.00 H new ATOM 0 HD1 TYR A 358 77.059 13.193 -12.420 1.00 0.00 H new ATOM 0 HD2 TYR A 358 80.302 10.600 -11.318 1.00 0.00 H new ATOM 0 HE1 TYR A 358 78.351 13.968 -14.390 1.00 0.00 H new ATOM 0 HE2 TYR A 358 81.592 11.374 -13.288 1.00 0.00 H new ATOM 0 HH TYR A 358 81.640 12.697 -15.086 1.00 0.00 H new ATOM 530 N ASP A 359 76.104 13.762 -10.269 1.00 0.00 N ATOM 531 CA ASP A 359 75.473 14.986 -10.750 1.00 0.00 C ATOM 532 C ASP A 359 75.757 16.148 -9.803 1.00 0.00 C ATOM 533 O ASP A 359 75.499 17.307 -10.134 1.00 0.00 O ATOM 534 CB ASP A 359 73.962 14.781 -10.869 1.00 0.00 C ATOM 535 CG ASP A 359 73.336 15.942 -11.634 1.00 0.00 C ATOM 536 OD1 ASP A 359 73.517 15.997 -12.840 1.00 0.00 O ATOM 537 OD2 ASP A 359 72.686 16.759 -11.004 1.00 0.00 O ATOM 0 H ASP A 359 75.490 12.947 -10.251 1.00 0.00 H new ATOM 0 HA ASP A 359 75.887 15.223 -11.730 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.754 13.842 -11.382 1.00 0.00 H new ATOM 0 HB3 ASP A 359 73.518 14.707 -9.876 1.00 0.00 H new ATOM 542 N ASN A 360 76.291 15.834 -8.624 1.00 0.00 N ATOM 543 CA ASN A 360 76.610 16.861 -7.631 1.00 0.00 C ATOM 544 C ASN A 360 78.083 17.248 -7.714 1.00 0.00 C ATOM 545 O ASN A 360 78.444 18.403 -7.496 1.00 0.00 O ATOM 546 CB ASN A 360 76.305 16.339 -6.227 1.00 0.00 C ATOM 547 CG ASN A 360 74.828 15.979 -6.113 1.00 0.00 C ATOM 548 OD1 ASN A 360 74.146 15.823 -7.126 1.00 0.00 O ATOM 549 ND2 ASN A 360 74.290 15.835 -4.932 1.00 0.00 N ATOM 0 H ASN A 360 76.511 14.882 -8.333 1.00 0.00 H new ATOM 0 HA ASN A 360 75.999 17.740 -7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 360 76.918 15.463 -6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 360 76.562 17.095 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 360 73.303 15.593 -4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 360 74.857 15.965 -4.094 1.00 0.00 H new ATOM 556 N LEU A 361 78.930 16.273 -8.030 1.00 0.00 N ATOM 557 CA LEU A 361 80.361 16.529 -8.133 1.00 0.00 C ATOM 558 C LEU A 361 80.650 17.487 -9.282 1.00 0.00 C ATOM 559 O LEU A 361 81.431 18.425 -9.134 1.00 0.00 O ATOM 560 CB LEU A 361 81.124 15.209 -8.344 1.00 0.00 C ATOM 561 CG LEU A 361 82.624 15.491 -8.660 1.00 0.00 C ATOM 562 CD1 LEU A 361 83.527 14.476 -7.935 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.876 15.390 -10.177 1.00 0.00 C ATOM 0 H LEU A 361 78.654 15.309 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 361 80.697 16.987 -7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 361 81.045 14.589 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 361 80.673 14.648 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 361 82.860 16.497 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 361 84.571 14.687 -8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 361 83.371 14.554 -6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 361 83.279 13.467 -8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.927 15.589 -10.385 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.621 14.388 -10.522 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.258 16.121 -10.698 1.00 0.00 H new ATOM 575 N ASN A 362 80.025 17.247 -10.430 1.00 0.00 N ATOM 576 CA ASN A 362 80.236 18.103 -11.593 1.00 0.00 C ATOM 577 C ASN A 362 79.836 19.540 -11.278 1.00 0.00 C ATOM 578 O ASN A 362 80.570 20.480 -11.583 1.00 0.00 O ATOM 579 CB ASN A 362 79.419 17.588 -12.778 1.00 0.00 C ATOM 580 CG ASN A 362 77.930 17.768 -12.505 1.00 0.00 C ATOM 581 OD1 ASN A 362 77.370 17.094 -11.641 1.00 0.00 O ATOM 582 ND2 ASN A 362 77.251 18.643 -13.196 1.00 0.00 N ATOM 0 H ASN A 362 79.375 16.476 -10.580 1.00 0.00 H new ATOM 0 HA ASN A 362 81.295 18.081 -11.850 1.00 0.00 H new ATOM 0 HB2 ASN A 362 79.698 18.126 -13.684 1.00 0.00 H new ATOM 0 HB3 ASN A 362 79.640 16.535 -12.952 1.00 0.00 H new ATOM 0 HD21 ASN A 362 76.254 18.769 -13.020 1.00 0.00 H new ATOM 0 HD22 ASN A 362 77.717 19.201 -13.912 1.00 0.00 H new ATOM 589 N GLY A 363 78.668 19.703 -10.666 1.00 0.00 N ATOM 590 CA GLY A 363 78.183 21.032 -10.315 1.00 0.00 C ATOM 591 C GLY A 363 79.227 21.793 -9.506 1.00 0.00 C ATOM 592 O GLY A 363 79.499 22.963 -9.771 1.00 0.00 O ATOM 0 H GLY A 363 78.045 18.939 -10.405 1.00 0.00 H new ATOM 0 HA2 GLY A 363 77.943 21.588 -11.222 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.261 20.947 -9.740 1.00 0.00 H new ATOM 596 N TRP A 364 79.808 21.119 -8.518 1.00 0.00 N ATOM 597 CA TRP A 364 80.822 21.741 -7.673 1.00 0.00 C ATOM 598 C TRP A 364 82.180 21.735 -8.371 1.00 0.00 C ATOM 599 O TRP A 364 82.769 22.790 -8.611 1.00 0.00 O ATOM 600 CB TRP A 364 80.926 20.988 -6.344 1.00 0.00 C ATOM 601 CG TRP A 364 81.993 21.612 -5.504 1.00 0.00 C ATOM 602 CD1 TRP A 364 81.889 22.804 -4.874 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.321 21.098 -5.195 1.00 0.00 C ATOM 604 NE1 TRP A 364 83.070 23.055 -4.196 1.00 0.00 N ATOM 605 CE2 TRP A 364 83.983 22.033 -4.364 1.00 0.00 C ATOM 606 CE3 TRP A 364 84.008 19.924 -5.551 1.00 0.00 C ATOM 607 CZ2 TRP A 364 85.281 21.811 -3.904 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.314 19.697 -5.088 1.00 0.00 C ATOM 609 CH2 TRP A 364 85.949 20.640 -4.267 1.00 0.00 C ATOM 0 H TRP A 364 79.596 20.149 -8.284 1.00 0.00 H new ATOM 0 HA TRP A 364 80.528 22.774 -7.485 1.00 0.00 H new ATOM 0 HB2 TRP A 364 79.971 21.018 -5.820 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.157 19.938 -6.525 1.00 0.00 H new ATOM 0 HD1 TRP A 364 81.026 23.454 -4.896 1.00 0.00 H new ATOM 0 HE1 TRP A 364 83.244 23.892 -3.640 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.528 19.192 -6.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 85.766 22.540 -3.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 85.832 18.791 -5.366 1.00 0.00 H new ATOM 0 HH2 TRP A 364 86.954 20.460 -3.916 1.00 0.00 H new ATOM 620 N ALA A 365 82.671 20.540 -8.694 1.00 0.00 N ATOM 621 CA ALA A 365 83.963 20.398 -9.366 1.00 0.00 C ATOM 622 C ALA A 365 84.157 21.494 -10.413 1.00 0.00 C ATOM 623 O ALA A 365 85.225 22.100 -10.500 1.00 0.00 O ATOM 624 CB ALA A 365 84.055 19.025 -10.037 1.00 0.00 C ATOM 0 H ALA A 365 82.196 19.658 -8.502 1.00 0.00 H new ATOM 0 HA ALA A 365 84.749 20.491 -8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 365 85.020 18.927 -10.535 1.00 0.00 H new ATOM 0 HB2 ALA A 365 83.955 18.244 -9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.256 18.925 -10.771 1.00 0.00 H new ATOM 630 N LYS A 366 83.116 21.745 -11.201 1.00 0.00 N ATOM 631 CA LYS A 366 83.184 22.773 -12.233 1.00 0.00 C ATOM 632 C LYS A 366 83.163 24.161 -11.601 1.00 0.00 C ATOM 633 O LYS A 366 83.894 25.057 -12.023 1.00 0.00 O ATOM 634 CB LYS A 366 81.998 22.631 -13.194 1.00 0.00 C ATOM 635 CG LYS A 366 82.054 21.269 -13.910 1.00 0.00 C ATOM 636 CD LYS A 366 82.994 21.341 -15.122 1.00 0.00 C ATOM 637 CE LYS A 366 82.901 20.036 -15.917 1.00 0.00 C ATOM 638 NZ LYS A 366 83.597 20.202 -17.224 1.00 0.00 N ATOM 0 H LYS A 366 82.223 21.255 -11.146 1.00 0.00 H new ATOM 0 HA LYS A 366 84.115 22.648 -12.786 1.00 0.00 H new ATOM 0 HB2 LYS A 366 81.062 22.723 -12.644 1.00 0.00 H new ATOM 0 HB3 LYS A 366 82.017 23.437 -13.928 1.00 0.00 H new ATOM 0 HG2 LYS A 366 82.400 20.501 -13.218 1.00 0.00 H new ATOM 0 HG3 LYS A 366 81.054 20.979 -14.234 1.00 0.00 H new ATOM 0 HD2 LYS A 366 82.724 22.186 -15.756 1.00 0.00 H new ATOM 0 HD3 LYS A 366 84.019 21.506 -14.791 1.00 0.00 H new ATOM 0 HE2 LYS A 366 83.353 19.220 -15.353 1.00 0.00 H new ATOM 0 HE3 LYS A 366 81.857 19.770 -16.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 83.535 19.316 -17.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 83.146 20.969 -17.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 84.596 20.437 -17.058 1.00 0.00 H new ATOM 652 N LYS A 367 82.323 24.332 -10.585 1.00 0.00 N ATOM 653 CA LYS A 367 82.216 25.614 -9.901 1.00 0.00 C ATOM 654 C LYS A 367 83.602 26.155 -9.563 1.00 0.00 C ATOM 655 O LYS A 367 84.020 27.189 -10.084 1.00 0.00 O ATOM 656 CB LYS A 367 81.399 25.454 -8.613 1.00 0.00 C ATOM 657 CG LYS A 367 80.994 26.836 -8.062 1.00 0.00 C ATOM 658 CD LYS A 367 79.699 27.321 -8.730 1.00 0.00 C ATOM 659 CE LYS A 367 79.227 28.610 -8.053 1.00 0.00 C ATOM 660 NZ LYS A 367 80.125 29.734 -8.441 1.00 0.00 N ATOM 0 H LYS A 367 81.710 23.603 -10.219 1.00 0.00 H new ATOM 0 HA LYS A 367 81.713 26.319 -10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 367 80.508 24.858 -8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 367 81.984 24.915 -7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 367 80.854 26.777 -6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 367 81.794 27.554 -8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 367 79.869 27.497 -9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 367 78.928 26.554 -8.653 1.00 0.00 H new ATOM 0 HE2 LYS A 367 78.201 28.833 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 367 79.229 28.486 -6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 79.729 30.631 -8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 81.066 29.586 -8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 80.207 29.771 -9.477 1.00 0.00 H new ATOM 674 N GLU A 368 84.311 25.447 -8.688 1.00 0.00 N ATOM 675 CA GLU A 368 85.650 25.864 -8.290 1.00 0.00 C ATOM 676 C GLU A 368 86.625 25.706 -9.452 1.00 0.00 C ATOM 677 O GLU A 368 87.761 26.177 -9.391 1.00 0.00 O ATOM 678 CB GLU A 368 86.127 25.027 -7.102 1.00 0.00 C ATOM 679 CG GLU A 368 85.080 25.077 -5.989 1.00 0.00 C ATOM 680 CD GLU A 368 84.911 26.510 -5.497 1.00 0.00 C ATOM 681 OE1 GLU A 368 85.845 27.280 -5.644 1.00 0.00 O ATOM 682 OE2 GLU A 368 83.848 26.816 -4.981 1.00 0.00 O ATOM 0 H GLU A 368 83.983 24.589 -8.245 1.00 0.00 H new ATOM 0 HA GLU A 368 85.613 26.914 -8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 368 86.293 23.996 -7.414 1.00 0.00 H new ATOM 0 HB3 GLU A 368 87.081 25.407 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 368 84.128 24.695 -6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 368 85.384 24.434 -5.163 1.00 0.00 H new ATOM 689 N ASN A 369 86.170 25.042 -10.509 1.00 0.00 N ATOM 690 CA ASN A 369 87.007 24.826 -11.685 1.00 0.00 C ATOM 691 C ASN A 369 88.312 24.135 -11.302 1.00 0.00 C ATOM 692 O ASN A 369 89.396 24.684 -11.503 1.00 0.00 O ATOM 693 CB ASN A 369 87.313 26.164 -12.360 1.00 0.00 C ATOM 694 CG ASN A 369 86.017 26.830 -12.810 1.00 0.00 C ATOM 695 OD1 ASN A 369 85.511 27.725 -12.134 1.00 0.00 O ATOM 696 ND2 ASN A 369 85.448 26.444 -13.919 1.00 0.00 N ATOM 0 H ASN A 369 85.232 24.646 -10.577 1.00 0.00 H new ATOM 0 HA ASN A 369 86.464 24.184 -12.378 1.00 0.00 H new ATOM 0 HB2 ASN A 369 87.845 26.816 -11.668 1.00 0.00 H new ATOM 0 HB3 ASN A 369 87.967 26.007 -13.217 1.00 0.00 H new ATOM 0 HD21 ASN A 369 84.581 26.884 -14.228 1.00 0.00 H new ATOM 0 HD22 ASN A 369 85.870 25.702 -14.477 1.00 0.00 H new ATOM 703 N LEU A 370 88.203 22.929 -10.755 1.00 0.00 N ATOM 704 CA LEU A 370 89.386 22.173 -10.357 1.00 0.00 C ATOM 705 C LEU A 370 90.267 21.902 -11.574 1.00 0.00 C ATOM 706 O LEU A 370 89.780 21.469 -12.618 1.00 0.00 O ATOM 707 CB LEU A 370 88.973 20.845 -9.714 1.00 0.00 C ATOM 708 CG LEU A 370 87.901 21.090 -8.645 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.407 19.745 -8.102 1.00 0.00 C ATOM 710 CD2 LEU A 370 88.491 21.920 -7.496 1.00 0.00 C ATOM 0 H LEU A 370 87.316 22.457 -10.578 1.00 0.00 H new ATOM 0 HA LEU A 370 89.948 22.761 -9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.590 20.166 -10.476 1.00 0.00 H new ATOM 0 HB3 LEU A 370 89.842 20.363 -9.266 1.00 0.00 H new ATOM 0 HG LEU A 370 87.068 21.634 -9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 370 86.645 19.917 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 370 86.982 19.158 -8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.243 19.202 -7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 370 87.725 22.091 -6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.327 21.381 -7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 370 88.840 22.878 -7.881 1.00 0.00 H new ATOM 722 N LYS A 371 91.566 22.166 -11.437 1.00 0.00 N ATOM 723 CA LYS A 371 92.509 21.954 -12.537 1.00 0.00 C ATOM 724 C LYS A 371 93.172 20.583 -12.430 1.00 0.00 C ATOM 725 O LYS A 371 93.460 20.105 -11.334 1.00 0.00 O ATOM 726 CB LYS A 371 93.586 23.040 -12.510 1.00 0.00 C ATOM 727 CG LYS A 371 92.938 24.409 -12.722 1.00 0.00 C ATOM 728 CD LYS A 371 93.988 25.506 -12.536 1.00 0.00 C ATOM 729 CE LYS A 371 93.352 26.872 -12.796 1.00 0.00 C ATOM 730 NZ LYS A 371 94.371 27.941 -12.598 1.00 0.00 N ATOM 0 H LYS A 371 91.989 22.525 -10.581 1.00 0.00 H new ATOM 0 HA LYS A 371 91.956 22.002 -13.475 1.00 0.00 H new ATOM 0 HB2 LYS A 371 94.114 23.020 -11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 371 94.326 22.852 -13.288 1.00 0.00 H new ATOM 0 HG2 LYS A 371 92.508 24.468 -13.722 1.00 0.00 H new ATOM 0 HG3 LYS A 371 92.121 24.550 -12.015 1.00 0.00 H new ATOM 0 HD2 LYS A 371 94.393 25.468 -11.525 1.00 0.00 H new ATOM 0 HD3 LYS A 371 94.822 25.345 -13.219 1.00 0.00 H new ATOM 0 HE2 LYS A 371 92.958 26.914 -13.811 1.00 0.00 H new ATOM 0 HE3 LYS A 371 92.510 27.028 -12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 93.938 28.870 -12.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 94.727 27.905 -11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 95.160 27.795 -13.259 1.00 0.00 H new ATOM 744 N ASN A 372 93.413 19.960 -13.580 1.00 0.00 N ATOM 745 CA ASN A 372 94.046 18.645 -13.613 1.00 0.00 C ATOM 746 C ASN A 372 93.213 17.626 -12.839 1.00 0.00 C ATOM 747 O ASN A 372 93.714 16.973 -11.924 1.00 0.00 O ATOM 748 CB ASN A 372 95.456 18.728 -13.008 1.00 0.00 C ATOM 749 CG ASN A 372 96.092 20.070 -13.347 1.00 0.00 C ATOM 750 OD1 ASN A 372 96.098 20.482 -14.507 1.00 0.00 O ATOM 751 ND2 ASN A 372 96.630 20.782 -12.394 1.00 0.00 N ATOM 0 H ASN A 372 93.181 20.342 -14.497 1.00 0.00 H new ATOM 0 HA ASN A 372 94.115 18.322 -14.652 1.00 0.00 H new ATOM 0 HB2 ASN A 372 95.404 18.604 -11.926 1.00 0.00 H new ATOM 0 HB3 ASN A 372 96.074 17.916 -13.392 1.00 0.00 H new ATOM 0 HD21 ASN A 372 97.057 21.683 -12.609 1.00 0.00 H new ATOM 0 HD22 ASN A 372 96.623 20.437 -11.434 1.00 0.00 H new ATOM 758 N TYR A 373 91.940 17.496 -13.208 1.00 0.00 N ATOM 759 CA TYR A 373 91.042 16.552 -12.536 1.00 0.00 C ATOM 760 C TYR A 373 90.341 15.655 -13.550 1.00 0.00 C ATOM 761 O TYR A 373 90.069 16.065 -14.678 1.00 0.00 O ATOM 762 CB TYR A 373 90.000 17.322 -11.714 1.00 0.00 C ATOM 763 CG TYR A 373 89.000 17.982 -12.640 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.407 19.026 -13.478 1.00 0.00 C ATOM 765 CD2 TYR A 373 87.668 17.546 -12.661 1.00 0.00 C ATOM 766 CE1 TYR A 373 88.484 19.635 -14.337 1.00 0.00 C ATOM 767 CE2 TYR A 373 86.745 18.156 -13.519 1.00 0.00 C ATOM 768 CZ TYR A 373 87.153 19.201 -14.357 1.00 0.00 C ATOM 769 OH TYR A 373 86.244 19.801 -15.203 1.00 0.00 O ATOM 0 H TYR A 373 91.507 18.027 -13.963 1.00 0.00 H new ATOM 0 HA TYR A 373 91.636 15.923 -11.873 1.00 0.00 H new ATOM 0 HB2 TYR A 373 89.486 16.643 -11.034 1.00 0.00 H new ATOM 0 HB3 TYR A 373 90.493 18.076 -11.100 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.433 19.362 -13.462 1.00 0.00 H new ATOM 0 HD2 TYR A 373 87.354 16.739 -12.015 1.00 0.00 H new ATOM 0 HE1 TYR A 373 88.799 20.440 -14.984 1.00 0.00 H new ATOM 0 HE2 TYR A 373 85.719 17.821 -13.535 1.00 0.00 H new ATOM 0 HH TYR A 373 85.560 19.149 -15.464 1.00 0.00 H new ATOM 779 N VAL A 374 90.051 14.428 -13.130 1.00 0.00 N ATOM 780 CA VAL A 374 89.377 13.456 -13.990 1.00 0.00 C ATOM 781 C VAL A 374 88.315 12.706 -13.193 1.00 0.00 C ATOM 782 O VAL A 374 88.574 12.241 -12.084 1.00 0.00 O ATOM 783 CB VAL A 374 90.398 12.467 -14.554 1.00 0.00 C ATOM 784 CG1 VAL A 374 91.218 13.146 -15.654 1.00 0.00 C ATOM 785 CG2 VAL A 374 91.337 12.008 -13.435 1.00 0.00 C ATOM 0 H VAL A 374 90.272 14.080 -12.197 1.00 0.00 H new ATOM 0 HA VAL A 374 88.897 13.983 -14.815 1.00 0.00 H new ATOM 0 HB VAL A 374 89.874 11.606 -14.969 1.00 0.00 H new ATOM 0 HG11 VAL A 374 91.945 12.439 -16.055 1.00 0.00 H new ATOM 0 HG12 VAL A 374 90.553 13.475 -16.453 1.00 0.00 H new ATOM 0 HG13 VAL A 374 91.740 14.008 -15.239 1.00 0.00 H new ATOM 0 HG21 VAL A 374 92.065 11.303 -13.837 1.00 0.00 H new ATOM 0 HG22 VAL A 374 91.858 12.871 -13.021 1.00 0.00 H new ATOM 0 HG23 VAL A 374 90.757 11.523 -12.650 1.00 0.00 H new ATOM 795 N VAL A 375 87.114 12.603 -13.760 1.00 0.00 N ATOM 796 CA VAL A 375 86.009 11.915 -13.091 1.00 0.00 C ATOM 797 C VAL A 375 85.920 10.459 -13.551 1.00 0.00 C ATOM 798 O VAL A 375 85.810 10.181 -14.744 1.00 0.00 O ATOM 799 CB VAL A 375 84.687 12.636 -13.404 1.00 0.00 C ATOM 800 CG1 VAL A 375 84.544 13.869 -12.508 1.00 0.00 C ATOM 801 CG2 VAL A 375 84.680 13.076 -14.870 1.00 0.00 C ATOM 0 H VAL A 375 86.881 12.985 -14.677 1.00 0.00 H new ATOM 0 HA VAL A 375 86.191 11.930 -12.016 1.00 0.00 H new ATOM 0 HB VAL A 375 83.856 11.955 -13.220 1.00 0.00 H new ATOM 0 HG11 VAL A 375 83.606 14.376 -12.734 1.00 0.00 H new ATOM 0 HG12 VAL A 375 84.548 13.561 -11.462 1.00 0.00 H new ATOM 0 HG13 VAL A 375 85.377 14.549 -12.689 1.00 0.00 H new ATOM 0 HG21 VAL A 375 83.743 13.587 -15.092 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.515 13.754 -15.051 1.00 0.00 H new ATOM 0 HG23 VAL A 375 84.777 12.201 -15.513 1.00 0.00 H new ATOM 811 N TYR A 376 85.957 9.533 -12.593 1.00 0.00 N ATOM 812 CA TYR A 376 85.870 8.108 -12.909 1.00 0.00 C ATOM 813 C TYR A 376 85.240 7.343 -11.748 1.00 0.00 C ATOM 814 O TYR A 376 85.005 7.902 -10.679 1.00 0.00 O ATOM 815 CB TYR A 376 87.260 7.542 -13.215 1.00 0.00 C ATOM 816 CG TYR A 376 88.211 7.870 -12.087 1.00 0.00 C ATOM 817 CD1 TYR A 376 88.659 9.184 -11.913 1.00 0.00 C ATOM 818 CD2 TYR A 376 88.649 6.861 -11.219 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.543 9.491 -10.872 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.534 7.169 -10.179 1.00 0.00 C ATOM 821 CZ TYR A 376 89.980 8.483 -10.005 1.00 0.00 C ATOM 822 OH TYR A 376 90.852 8.786 -8.980 1.00 0.00 O ATOM 0 H TYR A 376 86.046 9.742 -11.599 1.00 0.00 H new ATOM 0 HA TYR A 376 85.241 7.990 -13.791 1.00 0.00 H new ATOM 0 HB2 TYR A 376 87.201 6.462 -13.349 1.00 0.00 H new ATOM 0 HB3 TYR A 376 87.634 7.959 -14.150 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.323 9.962 -12.582 1.00 0.00 H new ATOM 0 HD2 TYR A 376 88.304 5.846 -11.352 1.00 0.00 H new ATOM 0 HE1 TYR A 376 89.888 10.506 -10.738 1.00 0.00 H new ATOM 0 HE2 TYR A 376 89.873 6.391 -9.511 1.00 0.00 H new ATOM 0 HH TYR A 376 91.054 7.973 -8.471 1.00 0.00 H new ATOM 832 N GLU A 377 84.955 6.064 -11.974 1.00 0.00 N ATOM 833 CA GLU A 377 84.333 5.232 -10.946 1.00 0.00 C ATOM 834 C GLU A 377 85.369 4.703 -9.958 1.00 0.00 C ATOM 835 O GLU A 377 86.415 4.189 -10.352 1.00 0.00 O ATOM 836 CB GLU A 377 83.615 4.053 -11.604 1.00 0.00 C ATOM 837 CG GLU A 377 84.630 3.209 -12.377 1.00 0.00 C ATOM 838 CD GLU A 377 83.904 2.244 -13.310 1.00 0.00 C ATOM 839 OE1 GLU A 377 83.180 2.717 -14.171 1.00 0.00 O ATOM 840 OE2 GLU A 377 84.084 1.049 -13.150 1.00 0.00 O ATOM 0 H GLU A 377 85.143 5.582 -12.853 1.00 0.00 H new ATOM 0 HA GLU A 377 83.619 5.848 -10.399 1.00 0.00 H new ATOM 0 HB2 GLU A 377 83.121 3.445 -10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 377 82.838 4.416 -12.278 1.00 0.00 H new ATOM 0 HG2 GLU A 377 85.290 3.857 -12.953 1.00 0.00 H new ATOM 0 HG3 GLU A 377 85.257 2.652 -11.681 1.00 0.00 H new ATOM 847 N THR A 378 85.054 4.826 -8.669 1.00 0.00 N ATOM 848 CA THR A 378 85.945 4.353 -7.608 1.00 0.00 C ATOM 849 C THR A 378 85.132 3.814 -6.436 1.00 0.00 C ATOM 850 O THR A 378 83.929 3.586 -6.556 1.00 0.00 O ATOM 851 CB THR A 378 86.845 5.494 -7.124 1.00 0.00 C ATOM 852 OG1 THR A 378 86.118 6.321 -6.227 1.00 0.00 O ATOM 853 CG2 THR A 378 87.313 6.321 -8.320 1.00 0.00 C ATOM 0 H THR A 378 84.189 5.249 -8.333 1.00 0.00 H new ATOM 0 HA THR A 378 86.566 3.553 -8.011 1.00 0.00 H new ATOM 0 HB THR A 378 87.713 5.079 -6.612 1.00 0.00 H new ATOM 0 HG1 THR A 378 85.229 6.504 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 378 87.953 7.132 -7.973 1.00 0.00 H new ATOM 0 HG22 THR A 378 87.873 5.685 -9.006 1.00 0.00 H new ATOM 0 HG23 THR A 378 86.448 6.737 -8.836 1.00 0.00 H new ATOM 861 N THR A 379 85.799 3.608 -5.300 1.00 0.00 N ATOM 862 CA THR A 379 85.133 3.087 -4.102 1.00 0.00 C ATOM 863 C THR A 379 85.501 3.916 -2.878 1.00 0.00 C ATOM 864 O THR A 379 86.588 4.486 -2.807 1.00 0.00 O ATOM 865 CB THR A 379 85.548 1.634 -3.871 1.00 0.00 C ATOM 866 OG1 THR A 379 85.202 1.249 -2.547 1.00 0.00 O ATOM 867 CG2 THR A 379 87.058 1.494 -4.067 1.00 0.00 C ATOM 0 H THR A 379 86.795 3.792 -5.182 1.00 0.00 H new ATOM 0 HA THR A 379 84.055 3.144 -4.255 1.00 0.00 H new ATOM 0 HB THR A 379 85.031 0.991 -4.584 1.00 0.00 H new ATOM 0 HG1 THR A 379 85.466 0.317 -2.398 1.00 0.00 H new ATOM 0 HG21 THR A 379 87.352 0.457 -3.902 1.00 0.00 H new ATOM 0 HG22 THR A 379 87.322 1.789 -5.083 1.00 0.00 H new ATOM 0 HG23 THR A 379 87.578 2.136 -3.356 1.00 0.00 H new ATOM 875 N ARG A 380 84.586 3.970 -1.915 1.00 0.00 N ATOM 876 CA ARG A 380 84.817 4.726 -0.689 1.00 0.00 C ATOM 877 C ARG A 380 83.701 4.429 0.317 1.00 0.00 C ATOM 878 O ARG A 380 82.610 4.993 0.233 1.00 0.00 O ATOM 879 CB ARG A 380 84.874 6.244 -1.012 1.00 0.00 C ATOM 880 CG ARG A 380 86.289 6.800 -0.780 1.00 0.00 C ATOM 881 CD ARG A 380 86.259 8.326 -0.870 1.00 0.00 C ATOM 882 NE ARG A 380 85.523 8.883 0.259 1.00 0.00 N ATOM 883 CZ ARG A 380 86.084 8.994 1.459 1.00 0.00 C ATOM 884 NH1 ARG A 380 87.315 8.601 1.641 1.00 0.00 N ATOM 885 NH2 ARG A 380 85.405 9.494 2.454 1.00 0.00 N ATOM 0 H ARG A 380 83.681 3.501 -1.959 1.00 0.00 H new ATOM 0 HA ARG A 380 85.770 4.429 -0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 380 84.578 6.411 -2.048 1.00 0.00 H new ATOM 0 HB3 ARG A 380 84.161 6.780 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 380 86.657 6.490 0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 380 86.977 6.395 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 380 87.276 8.717 -0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 380 85.791 8.633 -1.805 1.00 0.00 H new ATOM 0 HE ARG A 380 84.560 9.193 0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 380 87.846 8.209 0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 380 87.747 8.686 2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 380 84.443 9.800 2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 380 85.836 9.579 3.374 1.00 0.00 H new ATOM 899 N ASN A 381 83.984 3.539 1.264 1.00 0.00 N ATOM 900 CA ASN A 381 82.999 3.173 2.277 1.00 0.00 C ATOM 901 C ASN A 381 81.785 2.511 1.629 1.00 0.00 C ATOM 902 O ASN A 381 80.683 3.059 1.658 1.00 0.00 O ATOM 903 CB ASN A 381 82.557 4.417 3.053 1.00 0.00 C ATOM 904 CG ASN A 381 83.765 5.293 3.364 1.00 0.00 C ATOM 905 OD1 ASN A 381 84.713 4.839 4.007 1.00 0.00 O ATOM 906 ND2 ASN A 381 83.790 6.528 2.945 1.00 0.00 N ATOM 0 H ASN A 381 84.881 3.061 1.351 1.00 0.00 H new ATOM 0 HA ASN A 381 83.459 2.464 2.966 1.00 0.00 H new ATOM 0 HB2 ASN A 381 81.829 4.981 2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 381 82.063 4.122 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 381 84.595 7.120 3.149 1.00 0.00 H new ATOM 0 HD22 ASN A 381 83.004 6.902 2.413 1.00 0.00 H new ATOM 913 N GLY A 382 82.003 1.329 1.053 1.00 0.00 N ATOM 914 CA GLY A 382 80.928 0.579 0.397 1.00 0.00 C ATOM 915 C GLY A 382 79.927 1.510 -0.284 1.00 0.00 C ATOM 916 O GLY A 382 78.719 1.284 -0.233 1.00 0.00 O ATOM 0 H GLY A 382 82.913 0.869 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 382 81.355 -0.099 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 382 80.411 -0.036 1.133 1.00 0.00 H new ATOM 920 N GLN A 383 80.441 2.563 -0.914 1.00 0.00 N ATOM 921 CA GLN A 383 79.593 3.536 -1.599 1.00 0.00 C ATOM 922 C GLN A 383 80.343 4.152 -2.784 1.00 0.00 C ATOM 923 O GLN A 383 81.086 5.118 -2.607 1.00 0.00 O ATOM 924 CB GLN A 383 79.199 4.646 -0.623 1.00 0.00 C ATOM 925 CG GLN A 383 78.087 5.499 -1.240 1.00 0.00 C ATOM 926 CD GLN A 383 76.783 4.710 -1.274 1.00 0.00 C ATOM 927 OE1 GLN A 383 76.328 4.215 -0.242 1.00 0.00 O ATOM 928 NE2 GLN A 383 76.149 4.562 -2.405 1.00 0.00 N ATOM 0 H GLN A 383 81.440 2.765 -0.965 1.00 0.00 H new ATOM 0 HA GLN A 383 78.700 3.029 -1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 383 78.860 4.213 0.318 1.00 0.00 H new ATOM 0 HB3 GLN A 383 80.065 5.268 -0.395 1.00 0.00 H new ATOM 0 HG2 GLN A 383 77.954 6.412 -0.660 1.00 0.00 H new ATOM 0 HG3 GLN A 383 78.366 5.800 -2.250 1.00 0.00 H new ATOM 0 HE21 GLN A 383 76.527 4.972 -3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 383 75.276 4.036 -2.435 1.00 0.00 H new ATOM 937 N PRO A 384 80.185 3.627 -3.980 1.00 0.00 N ATOM 938 CA PRO A 384 80.888 4.164 -5.181 1.00 0.00 C ATOM 939 C PRO A 384 80.884 5.692 -5.215 1.00 0.00 C ATOM 940 O PRO A 384 79.891 6.330 -4.868 1.00 0.00 O ATOM 941 CB PRO A 384 80.096 3.569 -6.345 1.00 0.00 C ATOM 942 CG PRO A 384 79.607 2.257 -5.826 1.00 0.00 C ATOM 943 CD PRO A 384 79.327 2.475 -4.333 1.00 0.00 C ATOM 0 HA PRO A 384 81.945 3.897 -5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 384 79.268 4.216 -6.635 1.00 0.00 H new ATOM 0 HB3 PRO A 384 80.723 3.439 -7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 384 78.705 1.941 -6.351 1.00 0.00 H new ATOM 0 HG3 PRO A 384 80.353 1.476 -5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 384 78.274 2.689 -4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 384 79.580 1.593 -3.745 1.00 0.00 H new ATOM 951 N TRP A 385 82.009 6.266 -5.630 1.00 0.00 N ATOM 952 CA TRP A 385 82.143 7.717 -5.703 1.00 0.00 C ATOM 953 C TRP A 385 83.223 8.088 -6.719 1.00 0.00 C ATOM 954 O TRP A 385 84.114 7.293 -7.014 1.00 0.00 O ATOM 955 CB TRP A 385 82.489 8.268 -4.302 1.00 0.00 C ATOM 956 CG TRP A 385 83.212 9.582 -4.396 1.00 0.00 C ATOM 957 CD1 TRP A 385 84.547 9.740 -4.249 1.00 0.00 C ATOM 958 CD2 TRP A 385 82.670 10.911 -4.653 1.00 0.00 C ATOM 959 NE1 TRP A 385 84.860 11.078 -4.397 1.00 0.00 N ATOM 960 CE2 TRP A 385 83.738 11.841 -4.649 1.00 0.00 C ATOM 961 CE3 TRP A 385 81.371 11.397 -4.887 1.00 0.00 C ATOM 962 CZ2 TRP A 385 83.525 13.202 -4.869 1.00 0.00 C ATOM 963 CZ3 TRP A 385 81.154 12.767 -5.109 1.00 0.00 C ATOM 964 CH2 TRP A 385 82.229 13.668 -5.100 1.00 0.00 C ATOM 0 H TRP A 385 82.839 5.750 -5.920 1.00 0.00 H new ATOM 0 HA TRP A 385 81.203 8.160 -6.031 1.00 0.00 H new ATOM 0 HB2 TRP A 385 81.575 8.394 -3.722 1.00 0.00 H new ATOM 0 HB3 TRP A 385 83.108 7.547 -3.768 1.00 0.00 H new ATOM 0 HD1 TRP A 385 85.254 8.949 -4.048 1.00 0.00 H new ATOM 0 HE1 TRP A 385 85.805 11.456 -4.328 1.00 0.00 H new ATOM 0 HE3 TRP A 385 80.535 10.713 -4.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 84.357 13.891 -4.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 80.152 13.129 -5.288 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.055 14.720 -5.271 1.00 0.00 H new ATOM 975 N TYR A 386 83.136 9.309 -7.241 1.00 0.00 N ATOM 976 CA TYR A 386 84.106 9.801 -8.219 1.00 0.00 C ATOM 977 C TYR A 386 85.064 10.782 -7.552 1.00 0.00 C ATOM 978 O TYR A 386 84.793 11.982 -7.490 1.00 0.00 O ATOM 979 CB TYR A 386 83.376 10.497 -9.370 1.00 0.00 C ATOM 980 CG TYR A 386 82.230 9.629 -9.838 1.00 0.00 C ATOM 981 CD1 TYR A 386 81.080 9.504 -9.049 1.00 0.00 C ATOM 982 CD2 TYR A 386 82.317 8.946 -11.060 1.00 0.00 C ATOM 983 CE1 TYR A 386 80.019 8.698 -9.479 1.00 0.00 C ATOM 984 CE2 TYR A 386 81.255 8.141 -11.489 1.00 0.00 C ATOM 985 CZ TYR A 386 80.107 8.017 -10.699 1.00 0.00 C ATOM 986 OH TYR A 386 79.061 7.223 -11.122 1.00 0.00 O ATOM 0 H TYR A 386 82.403 9.977 -7.003 1.00 0.00 H new ATOM 0 HA TYR A 386 84.673 8.957 -8.611 1.00 0.00 H new ATOM 0 HB2 TYR A 386 83.002 11.467 -9.044 1.00 0.00 H new ATOM 0 HB3 TYR A 386 84.066 10.682 -10.193 1.00 0.00 H new ATOM 0 HD1 TYR A 386 81.011 10.030 -8.108 1.00 0.00 H new ATOM 0 HD2 TYR A 386 83.203 9.041 -11.670 1.00 0.00 H new ATOM 0 HE1 TYR A 386 79.133 8.602 -8.870 1.00 0.00 H new ATOM 0 HE2 TYR A 386 81.322 7.616 -12.430 1.00 0.00 H new ATOM 0 HH TYR A 386 79.283 6.823 -11.989 1.00 0.00 H new ATOM 996 N VAL A 387 86.183 10.266 -7.052 1.00 0.00 N ATOM 997 CA VAL A 387 87.175 11.102 -6.389 1.00 0.00 C ATOM 998 C VAL A 387 88.078 11.755 -7.428 1.00 0.00 C ATOM 999 O VAL A 387 88.271 11.223 -8.521 1.00 0.00 O ATOM 1000 CB VAL A 387 88.000 10.248 -5.413 1.00 0.00 C ATOM 1001 CG1 VAL A 387 88.405 8.939 -6.093 1.00 0.00 C ATOM 1002 CG2 VAL A 387 89.258 11.006 -4.971 1.00 0.00 C ATOM 0 H VAL A 387 86.424 9.276 -7.094 1.00 0.00 H new ATOM 0 HA VAL A 387 86.672 11.888 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 387 87.392 10.033 -4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 387 88.990 8.335 -5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 387 87.511 8.390 -6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 387 89.004 9.158 -6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 387 89.831 10.388 -4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 387 89.869 11.237 -5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 387 88.969 11.932 -4.475 1.00 0.00 H new ATOM 1012 N LEU A 388 88.615 12.922 -7.082 1.00 0.00 N ATOM 1013 CA LEU A 388 89.488 13.667 -7.989 1.00 0.00 C ATOM 1014 C LEU A 388 90.889 13.811 -7.407 1.00 0.00 C ATOM 1015 O LEU A 388 91.097 13.663 -6.202 1.00 0.00 O ATOM 1016 CB LEU A 388 88.898 15.055 -8.231 1.00 0.00 C ATOM 1017 CG LEU A 388 87.450 14.933 -8.719 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.819 16.327 -8.773 1.00 0.00 C ATOM 1019 CD2 LEU A 388 87.416 14.298 -10.119 1.00 0.00 C ATOM 0 H LEU A 388 88.462 13.373 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 388 89.559 13.117 -8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.932 15.639 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 388 89.495 15.589 -8.970 1.00 0.00 H new ATOM 0 HG LEU A 388 86.890 14.300 -8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 388 85.789 16.247 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 388 86.834 16.772 -7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 388 87.385 16.956 -9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 388 86.383 14.216 -10.456 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.977 14.922 -10.815 1.00 0.00 H new ATOM 0 HD23 LEU A 388 87.865 13.305 -10.079 1.00 0.00 H new ATOM 1031 N VAL A 389 91.846 14.104 -8.282 1.00 0.00 N ATOM 1032 CA VAL A 389 93.236 14.277 -7.871 1.00 0.00 C ATOM 1033 C VAL A 389 93.963 15.210 -8.835 1.00 0.00 C ATOM 1034 O VAL A 389 93.707 15.193 -10.039 1.00 0.00 O ATOM 1035 CB VAL A 389 93.946 12.921 -7.841 1.00 0.00 C ATOM 1036 CG1 VAL A 389 93.313 12.030 -6.770 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.811 12.248 -9.209 1.00 0.00 C ATOM 0 H VAL A 389 91.685 14.227 -9.282 1.00 0.00 H new ATOM 0 HA VAL A 389 93.249 14.716 -6.873 1.00 0.00 H new ATOM 0 HB VAL A 389 95.000 13.070 -7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 389 93.821 11.066 -6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.408 12.509 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 389 92.258 11.880 -6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 389 94.316 11.282 -9.191 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.756 12.102 -9.440 1.00 0.00 H new ATOM 0 HG23 VAL A 389 94.265 12.880 -9.972 1.00 0.00 H new ATOM 1047 N SER A 390 94.872 16.024 -8.299 1.00 0.00 N ATOM 1048 CA SER A 390 95.637 16.966 -9.119 1.00 0.00 C ATOM 1049 C SER A 390 97.037 16.428 -9.387 1.00 0.00 C ATOM 1050 O SER A 390 97.847 16.291 -8.469 1.00 0.00 O ATOM 1051 CB SER A 390 95.738 18.313 -8.401 1.00 0.00 C ATOM 1052 OG SER A 390 96.467 18.148 -7.193 1.00 0.00 O ATOM 0 H SER A 390 95.097 16.051 -7.304 1.00 0.00 H new ATOM 0 HA SER A 390 95.121 17.095 -10.071 1.00 0.00 H new ATOM 0 HB2 SER A 390 96.233 19.043 -9.041 1.00 0.00 H new ATOM 0 HB3 SER A 390 94.742 18.700 -8.188 1.00 0.00 H new ATOM 0 HG SER A 390 97.235 17.560 -7.352 1.00 0.00 H new ATOM 1058 N GLY A 391 97.317 16.128 -10.651 1.00 0.00 N ATOM 1059 CA GLY A 391 98.624 15.606 -11.033 1.00 0.00 C ATOM 1060 C GLY A 391 99.096 14.537 -10.053 1.00 0.00 C ATOM 1061 O GLY A 391 98.320 13.680 -9.633 1.00 0.00 O ATOM 0 H GLY A 391 96.661 16.237 -11.424 1.00 0.00 H new ATOM 0 HA2 GLY A 391 98.572 15.185 -12.037 1.00 0.00 H new ATOM 0 HA3 GLY A 391 99.349 16.420 -11.065 1.00 0.00 H new ATOM 1065 N VAL A 392 100.376 14.596 -9.695 1.00 0.00 N ATOM 1066 CA VAL A 392 100.950 13.629 -8.763 1.00 0.00 C ATOM 1067 C VAL A 392 102.184 14.214 -8.079 1.00 0.00 C ATOM 1068 O VAL A 392 102.885 15.048 -8.650 1.00 0.00 O ATOM 1069 CB VAL A 392 101.344 12.347 -9.505 1.00 0.00 C ATOM 1070 CG1 VAL A 392 100.090 11.621 -10.004 1.00 0.00 C ATOM 1071 CG2 VAL A 392 102.232 12.706 -10.700 1.00 0.00 C ATOM 0 H VAL A 392 101.033 15.299 -10.034 1.00 0.00 H new ATOM 0 HA VAL A 392 100.198 13.396 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 392 101.887 11.692 -8.823 1.00 0.00 H new ATOM 0 HG11 VAL A 392 100.381 10.712 -10.530 1.00 0.00 H new ATOM 0 HG12 VAL A 392 99.457 11.363 -9.155 1.00 0.00 H new ATOM 0 HG13 VAL A 392 99.539 12.272 -10.683 1.00 0.00 H new ATOM 0 HG21 VAL A 392 102.514 11.796 -11.230 1.00 0.00 H new ATOM 0 HG22 VAL A 392 101.685 13.364 -11.375 1.00 0.00 H new ATOM 0 HG23 VAL A 392 103.130 13.213 -10.347 1.00 0.00 H new ATOM 1081 N TYR A 393 102.443 13.764 -6.849 1.00 0.00 N ATOM 1082 CA TYR A 393 103.598 14.241 -6.080 1.00 0.00 C ATOM 1083 C TYR A 393 104.594 13.105 -5.859 1.00 0.00 C ATOM 1084 O TYR A 393 104.206 11.983 -5.534 1.00 0.00 O ATOM 1085 CB TYR A 393 103.131 14.775 -4.724 1.00 0.00 C ATOM 1086 CG TYR A 393 102.341 16.046 -4.929 1.00 0.00 C ATOM 1087 CD1 TYR A 393 100.974 15.980 -5.229 1.00 0.00 C ATOM 1088 CD2 TYR A 393 102.974 17.290 -4.820 1.00 0.00 C ATOM 1089 CE1 TYR A 393 100.242 17.158 -5.419 1.00 0.00 C ATOM 1090 CE2 TYR A 393 102.241 18.468 -5.010 1.00 0.00 C ATOM 1091 CZ TYR A 393 100.876 18.402 -5.309 1.00 0.00 C ATOM 1092 OH TYR A 393 100.153 19.563 -5.496 1.00 0.00 O ATOM 0 H TYR A 393 101.871 13.072 -6.364 1.00 0.00 H new ATOM 0 HA TYR A 393 104.085 15.038 -6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.516 14.029 -4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.990 14.968 -4.081 1.00 0.00 H new ATOM 0 HD1 TYR A 393 100.485 15.021 -5.314 1.00 0.00 H new ATOM 0 HD2 TYR A 393 104.028 17.341 -4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 393 99.188 17.108 -5.650 1.00 0.00 H new ATOM 0 HE2 TYR A 393 102.730 19.427 -4.926 1.00 0.00 H new ATOM 0 HH TYR A 393 100.743 20.337 -5.383 1.00 0.00 H new ATOM 1102 N ALA A 394 105.878 13.403 -6.043 1.00 0.00 N ATOM 1103 CA ALA A 394 106.921 12.396 -5.865 1.00 0.00 C ATOM 1104 C ALA A 394 106.667 11.571 -4.605 1.00 0.00 C ATOM 1105 O ALA A 394 106.426 10.366 -4.681 1.00 0.00 O ATOM 1106 CB ALA A 394 108.288 13.074 -5.765 1.00 0.00 C ATOM 0 H ALA A 394 106.219 14.325 -6.313 1.00 0.00 H new ATOM 0 HA ALA A 394 106.906 11.730 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 394 109.061 12.317 -5.632 1.00 0.00 H new ATOM 0 HB2 ALA A 394 108.483 13.636 -6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.296 13.753 -4.913 1.00 0.00 H new ATOM 1112 N SER A 395 106.725 12.228 -3.447 1.00 0.00 N ATOM 1113 CA SER A 395 106.501 11.552 -2.166 1.00 0.00 C ATOM 1114 C SER A 395 105.562 12.379 -1.291 1.00 0.00 C ATOM 1115 O SER A 395 105.001 13.379 -1.743 1.00 0.00 O ATOM 1116 CB SER A 395 107.837 11.353 -1.446 1.00 0.00 C ATOM 1117 OG SER A 395 107.596 10.986 -0.094 1.00 0.00 O ATOM 0 H SER A 395 106.925 13.225 -3.368 1.00 0.00 H new ATOM 0 HA SER A 395 106.044 10.581 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 395 108.420 10.579 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 395 108.424 12.270 -1.486 1.00 0.00 H new ATOM 0 HG SER A 395 108.451 10.857 0.367 1.00 0.00 H new ATOM 1123 N LYS A 396 105.387 11.955 -0.043 1.00 0.00 N ATOM 1124 CA LYS A 396 104.507 12.667 0.879 1.00 0.00 C ATOM 1125 C LYS A 396 105.203 13.895 1.458 1.00 0.00 C ATOM 1126 O LYS A 396 104.557 14.769 2.037 1.00 0.00 O ATOM 1127 CB LYS A 396 104.081 11.737 2.017 1.00 0.00 C ATOM 1128 CG LYS A 396 103.225 12.513 3.020 1.00 0.00 C ATOM 1129 CD LYS A 396 102.496 11.533 3.941 1.00 0.00 C ATOM 1130 CE LYS A 396 101.913 12.291 5.134 1.00 0.00 C ATOM 1131 NZ LYS A 396 101.127 11.352 5.984 1.00 0.00 N ATOM 0 H LYS A 396 105.838 11.129 0.351 1.00 0.00 H new ATOM 0 HA LYS A 396 103.627 12.994 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 396 103.518 10.893 1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 396 104.960 11.327 2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 396 103.853 13.182 3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 396 102.503 13.136 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 396 101.700 11.027 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 396 103.185 10.762 4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 396 102.715 12.743 5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 396 101.275 13.104 4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 100.730 11.867 6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 100.353 10.941 5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 101.748 10.592 6.327 1.00 0.00 H new ATOM 1145 N GLU A 397 106.521 13.953 1.305 1.00 0.00 N ATOM 1146 CA GLU A 397 107.290 15.080 1.824 1.00 0.00 C ATOM 1147 C GLU A 397 106.926 16.370 1.094 1.00 0.00 C ATOM 1148 O GLU A 397 106.727 17.412 1.718 1.00 0.00 O ATOM 1149 CB GLU A 397 108.789 14.802 1.673 1.00 0.00 C ATOM 1150 CG GLU A 397 109.182 14.860 0.192 1.00 0.00 C ATOM 1151 CD GLU A 397 110.543 14.202 -0.014 1.00 0.00 C ATOM 1152 OE1 GLU A 397 111.212 13.950 0.974 1.00 0.00 O ATOM 1153 OE2 GLU A 397 110.894 13.961 -1.157 1.00 0.00 O ATOM 0 H GLU A 397 107.076 13.241 0.831 1.00 0.00 H new ATOM 0 HA GLU A 397 107.049 15.203 2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 397 109.363 15.535 2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 397 109.030 13.822 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 397 108.429 14.354 -0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 397 109.216 15.897 -0.143 1.00 0.00 H new ATOM 1160 N GLU A 398 106.849 16.294 -0.231 1.00 0.00 N ATOM 1161 CA GLU A 398 106.517 17.464 -1.042 1.00 0.00 C ATOM 1162 C GLU A 398 105.006 17.658 -1.123 1.00 0.00 C ATOM 1163 O GLU A 398 104.527 18.771 -1.348 1.00 0.00 O ATOM 1164 CB GLU A 398 107.086 17.296 -2.452 1.00 0.00 C ATOM 1165 CG GLU A 398 106.827 18.567 -3.262 1.00 0.00 C ATOM 1166 CD GLU A 398 107.549 18.486 -4.603 1.00 0.00 C ATOM 1167 OE1 GLU A 398 108.707 18.102 -4.607 1.00 0.00 O ATOM 1168 OE2 GLU A 398 106.935 18.811 -5.605 1.00 0.00 O ATOM 0 H GLU A 398 107.011 15.440 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 398 106.956 18.343 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 398 108.156 17.096 -2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 398 106.624 16.439 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 398 105.756 18.694 -3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 398 107.171 19.439 -2.706 1.00 0.00 H new ATOM 1175 N ALA A 399 104.260 16.574 -0.945 1.00 0.00 N ATOM 1176 CA ALA A 399 102.804 16.643 -1.010 1.00 0.00 C ATOM 1177 C ALA A 399 102.235 17.309 0.241 1.00 0.00 C ATOM 1178 O ALA A 399 101.097 17.776 0.243 1.00 0.00 O ATOM 1179 CB ALA A 399 102.220 15.235 -1.155 1.00 0.00 C ATOM 0 H ALA A 399 104.634 15.644 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 399 102.529 17.242 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 399 101.133 15.295 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.599 14.776 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.512 14.630 -0.297 1.00 0.00 H new ATOM 1185 N LYS A 400 103.030 17.342 1.306 1.00 0.00 N ATOM 1186 CA LYS A 400 102.587 17.949 2.556 1.00 0.00 C ATOM 1187 C LYS A 400 102.350 19.447 2.383 1.00 0.00 C ATOM 1188 O LYS A 400 101.231 19.930 2.549 1.00 0.00 O ATOM 1189 CB LYS A 400 103.635 17.720 3.647 1.00 0.00 C ATOM 1190 CG LYS A 400 103.035 18.066 5.011 1.00 0.00 C ATOM 1191 CD LYS A 400 104.086 17.848 6.101 1.00 0.00 C ATOM 1192 CE LYS A 400 103.410 17.871 7.473 1.00 0.00 C ATOM 1193 NZ LYS A 400 104.450 17.860 8.541 1.00 0.00 N ATOM 0 H LYS A 400 103.975 16.960 1.329 1.00 0.00 H new ATOM 0 HA LYS A 400 101.647 17.480 2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 400 103.966 16.681 3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 400 104.514 18.336 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 400 102.697 19.102 5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 400 102.161 17.444 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 400 104.591 16.894 5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 400 104.849 18.625 6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 400 102.786 18.760 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 400 102.754 17.008 7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 103.990 17.876 9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 105.028 17.000 8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 105.059 18.697 8.441 1.00 0.00 H new ATOM 1207 N LYS A 401 103.412 20.177 2.057 1.00 0.00 N ATOM 1208 CA LYS A 401 103.306 21.622 1.875 1.00 0.00 C ATOM 1209 C LYS A 401 102.628 21.959 0.550 1.00 0.00 C ATOM 1210 O LYS A 401 102.403 23.128 0.238 1.00 0.00 O ATOM 1211 CB LYS A 401 104.696 22.260 1.916 1.00 0.00 C ATOM 1212 CG LYS A 401 105.542 21.724 0.760 1.00 0.00 C ATOM 1213 CD LYS A 401 106.976 22.237 0.898 1.00 0.00 C ATOM 1214 CE LYS A 401 107.850 21.613 -0.190 1.00 0.00 C ATOM 1215 NZ LYS A 401 107.544 22.253 -1.501 1.00 0.00 N ATOM 0 H LYS A 401 104.348 19.797 1.914 1.00 0.00 H new ATOM 0 HA LYS A 401 102.698 22.020 2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 401 104.611 23.344 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 401 105.180 22.039 2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 401 105.532 20.634 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 401 105.120 22.044 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 401 106.994 23.324 0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 401 107.370 21.986 1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 401 108.904 21.746 0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 401 107.669 20.540 -0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 108.218 21.915 -2.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 106.577 22.005 -1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 107.624 23.286 -1.410 1.00 0.00 H new ATOM 1229 N ALA A 402 102.303 20.930 -0.228 1.00 0.00 N ATOM 1230 CA ALA A 402 101.651 21.142 -1.516 1.00 0.00 C ATOM 1231 C ALA A 402 100.237 21.681 -1.319 1.00 0.00 C ATOM 1232 O ALA A 402 99.769 22.517 -2.093 1.00 0.00 O ATOM 1233 CB ALA A 402 101.593 19.828 -2.297 1.00 0.00 C ATOM 0 H ALA A 402 102.478 19.953 0.007 1.00 0.00 H new ATOM 0 HA ALA A 402 102.232 21.873 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 402 101.105 19.996 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 402 102.605 19.459 -2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 402 101.028 19.091 -1.727 1.00 0.00 H new ATOM 1239 N VAL A 403 99.562 21.198 -0.281 1.00 0.00 N ATOM 1240 CA VAL A 403 98.202 21.638 0.007 1.00 0.00 C ATOM 1241 C VAL A 403 98.125 23.161 0.053 1.00 0.00 C ATOM 1242 O VAL A 403 97.067 23.746 -0.174 1.00 0.00 O ATOM 1243 CB VAL A 403 97.740 21.062 1.347 1.00 0.00 C ATOM 1244 CG1 VAL A 403 96.301 21.500 1.624 1.00 0.00 C ATOM 1245 CG2 VAL A 403 97.807 19.534 1.296 1.00 0.00 C ATOM 0 H VAL A 403 99.932 20.506 0.371 1.00 0.00 H new ATOM 0 HA VAL A 403 97.550 21.278 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 403 98.390 21.428 2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 403 95.973 21.089 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 403 96.253 22.588 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 403 95.650 21.135 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 403 97.478 19.123 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 403 97.158 19.168 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 403 98.833 19.221 1.101 1.00 0.00 H new ATOM 1255 N SER A 404 99.253 23.797 0.353 1.00 0.00 N ATOM 1256 CA SER A 404 99.302 25.253 0.428 1.00 0.00 C ATOM 1257 C SER A 404 99.011 25.873 -0.935 1.00 0.00 C ATOM 1258 O SER A 404 98.668 27.052 -1.031 1.00 0.00 O ATOM 1259 CB SER A 404 100.679 25.704 0.912 1.00 0.00 C ATOM 1260 OG SER A 404 100.693 27.121 1.034 1.00 0.00 O ATOM 0 H SER A 404 100.139 23.331 0.547 1.00 0.00 H new ATOM 0 HA SER A 404 98.541 25.586 1.134 1.00 0.00 H new ATOM 0 HB2 SER A 404 100.909 25.242 1.872 1.00 0.00 H new ATOM 0 HB3 SER A 404 101.448 25.380 0.211 1.00 0.00 H new ATOM 0 HG SER A 404 101.575 27.414 1.346 1.00 0.00 H new ATOM 1266 N THR A 405 99.155 25.074 -1.988 1.00 0.00 N ATOM 1267 CA THR A 405 98.910 25.560 -3.341 1.00 0.00 C ATOM 1268 C THR A 405 97.415 25.753 -3.585 1.00 0.00 C ATOM 1269 O THR A 405 96.982 26.820 -4.020 1.00 0.00 O ATOM 1270 CB THR A 405 99.469 24.566 -4.362 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.876 23.291 -4.154 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.986 24.460 -4.193 1.00 0.00 C ATOM 0 H THR A 405 99.438 24.096 -1.932 1.00 0.00 H new ATOM 0 HA THR A 405 99.411 26.522 -3.454 1.00 0.00 H new ATOM 0 HB THR A 405 99.241 24.912 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 405 99.485 22.728 -3.632 1.00 0.00 H new ATOM 0 HG21 THR A 405 101.384 23.752 -4.920 1.00 0.00 H new ATOM 0 HG22 THR A 405 101.439 25.438 -4.353 1.00 0.00 H new ATOM 0 HG23 THR A 405 101.217 24.114 -3.185 1.00 0.00 H new ATOM 1280 N LEU A 406 96.633 24.715 -3.309 1.00 0.00 N ATOM 1281 CA LEU A 406 95.189 24.785 -3.509 1.00 0.00 C ATOM 1282 C LEU A 406 94.603 25.981 -2.749 1.00 0.00 C ATOM 1283 O LEU A 406 95.108 26.345 -1.688 1.00 0.00 O ATOM 1284 CB LEU A 406 94.532 23.490 -3.014 1.00 0.00 C ATOM 1285 CG LEU A 406 95.345 22.278 -3.480 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.574 20.997 -3.157 1.00 0.00 C ATOM 1287 CD2 LEU A 406 95.581 22.364 -4.992 1.00 0.00 C ATOM 0 H LEU A 406 96.970 23.822 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 406 94.990 24.910 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.467 23.498 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.512 23.422 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 406 96.306 22.267 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.150 20.133 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 406 94.409 20.933 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.613 21.011 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 406 96.160 21.500 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 406 94.622 22.376 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 406 96.130 23.277 -5.223 1.00 0.00 H new ATOM 1299 N PRO A 407 93.554 26.595 -3.253 1.00 0.00 N ATOM 1300 CA PRO A 407 92.915 27.764 -2.576 1.00 0.00 C ATOM 1301 C PRO A 407 92.125 27.340 -1.337 1.00 0.00 C ATOM 1302 O PRO A 407 92.013 26.151 -1.038 1.00 0.00 O ATOM 1303 CB PRO A 407 91.991 28.341 -3.657 1.00 0.00 C ATOM 1304 CG PRO A 407 91.627 27.167 -4.505 1.00 0.00 C ATOM 1305 CD PRO A 407 92.858 26.256 -4.512 1.00 0.00 C ATOM 0 HA PRO A 407 93.645 28.486 -2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 407 91.107 28.803 -3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 407 92.496 29.111 -4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 407 90.759 26.647 -4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 407 91.368 27.481 -5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 407 92.577 25.203 -4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 407 93.489 26.443 -5.381 1.00 0.00 H new ATOM 1313 N ALA A 408 91.584 28.319 -0.621 1.00 0.00 N ATOM 1314 CA ALA A 408 90.811 28.034 0.583 1.00 0.00 C ATOM 1315 C ALA A 408 89.615 27.146 0.258 1.00 0.00 C ATOM 1316 O ALA A 408 89.476 26.054 0.806 1.00 0.00 O ATOM 1317 CB ALA A 408 90.322 29.342 1.210 1.00 0.00 C ATOM 0 H ALA A 408 91.665 29.310 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 408 91.455 27.509 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 408 89.746 29.122 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 408 91.179 29.963 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 408 89.693 29.874 0.497 1.00 0.00 H new ATOM 1323 N ASP A 409 88.749 27.628 -0.632 1.00 0.00 N ATOM 1324 CA ASP A 409 87.554 26.878 -1.025 1.00 0.00 C ATOM 1325 C ASP A 409 87.840 25.380 -1.116 1.00 0.00 C ATOM 1326 O ASP A 409 87.015 24.558 -0.715 1.00 0.00 O ATOM 1327 CB ASP A 409 87.048 27.382 -2.378 1.00 0.00 C ATOM 1328 CG ASP A 409 85.650 26.836 -2.647 1.00 0.00 C ATOM 1329 OD1 ASP A 409 85.549 25.680 -3.025 1.00 0.00 O ATOM 1330 OD2 ASP A 409 84.700 27.581 -2.473 1.00 0.00 O ATOM 0 H ASP A 409 88.851 28.532 -1.094 1.00 0.00 H new ATOM 0 HA ASP A 409 86.793 27.035 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 409 87.030 28.472 -2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 409 87.728 27.069 -3.170 1.00 0.00 H new ATOM 1335 N VAL A 410 89.010 25.031 -1.642 1.00 0.00 N ATOM 1336 CA VAL A 410 89.389 23.626 -1.777 1.00 0.00 C ATOM 1337 C VAL A 410 89.939 23.093 -0.457 1.00 0.00 C ATOM 1338 O VAL A 410 89.674 21.952 -0.079 1.00 0.00 O ATOM 1339 CB VAL A 410 90.445 23.475 -2.874 1.00 0.00 C ATOM 1340 CG1 VAL A 410 90.914 22.019 -2.937 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.837 23.870 -4.222 1.00 0.00 C ATOM 0 H VAL A 410 89.708 25.694 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 410 88.503 23.051 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 410 91.294 24.121 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.666 21.913 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.345 21.734 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 410 90.065 21.373 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.588 23.763 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 410 88.988 23.222 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 410 89.501 24.906 -4.180 1.00 0.00 H new ATOM 1351 N GLN A 411 90.706 23.925 0.239 1.00 0.00 N ATOM 1352 CA GLN A 411 91.287 23.527 1.516 1.00 0.00 C ATOM 1353 C GLN A 411 90.227 23.536 2.612 1.00 0.00 C ATOM 1354 O GLN A 411 90.427 22.974 3.689 1.00 0.00 O ATOM 1355 CB GLN A 411 92.423 24.482 1.893 1.00 0.00 C ATOM 1356 CG GLN A 411 93.235 23.885 3.045 1.00 0.00 C ATOM 1357 CD GLN A 411 94.443 24.766 3.344 1.00 0.00 C ATOM 1358 OE1 GLN A 411 94.496 25.974 2.853 1.00 0.00 O flip ATOM 1359 NE2 GLN A 411 95.362 24.343 4.045 1.00 0.00 N flip ATOM 0 H GLN A 411 90.939 24.873 -0.057 1.00 0.00 H new ATOM 0 HA GLN A 411 91.681 22.516 1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 411 93.068 24.654 1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 411 92.016 25.450 2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 411 92.610 23.797 3.934 1.00 0.00 H new ATOM 0 HG3 GLN A 411 93.564 22.879 2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 411 95.318 23.399 4.428 1.00 0.00 H new ATOM 0 HE22 GLN A 411 96.167 24.937 4.243 1.00 0.00 H new ATOM 1368 N ALA A 412 89.098 24.178 2.329 1.00 0.00 N ATOM 1369 CA ALA A 412 88.010 24.255 3.296 1.00 0.00 C ATOM 1370 C ALA A 412 87.293 22.914 3.401 1.00 0.00 C ATOM 1371 O ALA A 412 86.316 22.778 4.139 1.00 0.00 O ATOM 1372 CB ALA A 412 87.014 25.338 2.877 1.00 0.00 C ATOM 0 H ALA A 412 88.914 24.650 1.444 1.00 0.00 H new ATOM 0 HA ALA A 412 88.430 24.507 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 412 86.204 25.389 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 412 87.522 26.301 2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 412 86.605 25.096 1.896 1.00 0.00 H new ATOM 1378 N LYS A 413 87.786 21.923 2.659 1.00 0.00 N ATOM 1379 CA LYS A 413 87.192 20.584 2.668 1.00 0.00 C ATOM 1380 C LYS A 413 88.085 19.615 3.441 1.00 0.00 C ATOM 1381 O LYS A 413 88.011 18.401 3.257 1.00 0.00 O ATOM 1382 CB LYS A 413 87.013 20.086 1.226 1.00 0.00 C ATOM 1383 CG LYS A 413 85.948 18.971 1.174 1.00 0.00 C ATOM 1384 CD LYS A 413 84.549 19.584 1.018 1.00 0.00 C ATOM 1385 CE LYS A 413 83.510 18.467 0.887 1.00 0.00 C ATOM 1386 NZ LYS A 413 83.248 17.872 2.227 1.00 0.00 N ATOM 0 H LYS A 413 88.594 22.021 2.044 1.00 0.00 H new ATOM 0 HA LYS A 413 86.219 20.633 3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 413 86.715 20.914 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 413 87.962 19.710 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 413 86.154 18.299 0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 413 85.992 18.373 2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 413 84.317 20.211 1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 413 84.519 20.227 0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 413 82.586 18.863 0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 413 83.870 17.700 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 82.482 17.172 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 84.110 17.406 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 82.968 18.622 2.891 1.00 0.00 H new ATOM 1400 N ASN A 414 88.930 20.165 4.304 1.00 0.00 N ATOM 1401 CA ASN A 414 89.834 19.346 5.100 1.00 0.00 C ATOM 1402 C ASN A 414 90.512 18.283 4.238 1.00 0.00 C ATOM 1403 O ASN A 414 90.246 17.091 4.385 1.00 0.00 O ATOM 1404 CB ASN A 414 89.063 18.670 6.235 1.00 0.00 C ATOM 1405 CG ASN A 414 88.435 19.724 7.140 1.00 0.00 C ATOM 1406 OD1 ASN A 414 88.691 20.917 6.976 1.00 0.00 O ATOM 1407 ND2 ASN A 414 87.622 19.354 8.092 1.00 0.00 N ATOM 0 H ASN A 414 89.008 21.168 4.470 1.00 0.00 H new ATOM 0 HA ASN A 414 90.603 19.996 5.517 1.00 0.00 H new ATOM 0 HB2 ASN A 414 88.288 18.023 5.824 1.00 0.00 H new ATOM 0 HB3 ASN A 414 89.734 18.035 6.814 1.00 0.00 H new ATOM 0 HD21 ASN A 414 87.198 20.054 8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 414 87.411 18.365 8.227 1.00 0.00 H new ATOM 1414 N PRO A 415 91.380 18.694 3.351 1.00 0.00 N ATOM 1415 CA PRO A 415 92.117 17.757 2.449 1.00 0.00 C ATOM 1416 C PRO A 415 92.822 16.649 3.231 1.00 0.00 C ATOM 1417 O PRO A 415 93.354 16.884 4.315 1.00 0.00 O ATOM 1418 CB PRO A 415 93.129 18.664 1.727 1.00 0.00 C ATOM 1419 CG PRO A 415 92.534 20.035 1.791 1.00 0.00 C ATOM 1420 CD PRO A 415 91.754 20.097 3.105 1.00 0.00 C ATOM 0 HA PRO A 415 91.451 17.234 1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 415 94.104 18.634 2.214 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.278 18.346 0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 415 93.311 20.799 1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 415 91.878 20.215 0.939 1.00 0.00 H new ATOM 0 HD2 PRO A 415 92.364 20.497 3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 415 90.876 20.737 3.020 1.00 0.00 H new ATOM 1428 N TRP A 416 92.822 15.438 2.672 1.00 0.00 N ATOM 1429 CA TRP A 416 93.465 14.294 3.322 1.00 0.00 C ATOM 1430 C TRP A 416 94.206 13.446 2.293 1.00 0.00 C ATOM 1431 O TRP A 416 93.799 13.362 1.134 1.00 0.00 O ATOM 1432 CB TRP A 416 92.416 13.438 4.033 1.00 0.00 C ATOM 1433 CG TRP A 416 91.470 12.864 3.027 1.00 0.00 C ATOM 1434 CD1 TRP A 416 90.594 13.581 2.287 1.00 0.00 C ATOM 1435 CD2 TRP A 416 91.289 11.470 2.640 1.00 0.00 C ATOM 1436 NE1 TRP A 416 89.888 12.717 1.469 1.00 0.00 N ATOM 1437 CE2 TRP A 416 90.280 11.406 1.650 1.00 0.00 C ATOM 1438 CE3 TRP A 416 91.896 10.269 3.048 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 89.887 10.192 1.085 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 91.503 9.046 2.480 1.00 0.00 C ATOM 1441 CH2 TRP A 416 90.501 9.008 1.501 1.00 0.00 C ATOM 0 H TRP A 416 92.386 15.224 1.775 1.00 0.00 H new ATOM 0 HA TRP A 416 94.181 14.669 4.054 1.00 0.00 H new ATOM 0 HB2 TRP A 416 92.902 12.636 4.589 1.00 0.00 H new ATOM 0 HB3 TRP A 416 91.870 14.042 4.758 1.00 0.00 H new ATOM 0 HD1 TRP A 416 90.466 14.653 2.328 1.00 0.00 H new ATOM 0 HE1 TRP A 416 89.166 13.013 0.812 1.00 0.00 H new ATOM 0 HE3 TRP A 416 92.669 10.287 3.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 89.114 10.168 0.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 91.976 8.129 2.800 1.00 0.00 H new ATOM 0 HH2 TRP A 416 90.204 8.064 1.068 1.00 0.00 H new ATOM 1452 N ALA A 417 95.296 12.821 2.726 1.00 0.00 N ATOM 1453 CA ALA A 417 96.091 11.984 1.835 1.00 0.00 C ATOM 1454 C ALA A 417 95.243 10.854 1.259 1.00 0.00 C ATOM 1455 O ALA A 417 94.188 10.518 1.798 1.00 0.00 O ATOM 1456 CB ALA A 417 97.279 11.395 2.596 1.00 0.00 C ATOM 0 H ALA A 417 95.647 12.877 3.682 1.00 0.00 H new ATOM 0 HA ALA A 417 96.454 12.603 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 417 97.868 10.771 1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 417 97.902 12.203 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 417 96.915 10.791 3.427 1.00 0.00 H new ATOM 1462 N LYS A 418 95.714 10.269 0.162 1.00 0.00 N ATOM 1463 CA LYS A 418 94.996 9.174 -0.481 1.00 0.00 C ATOM 1464 C LYS A 418 95.945 8.346 -1.347 1.00 0.00 C ATOM 1465 O LYS A 418 96.035 8.562 -2.557 1.00 0.00 O ATOM 1466 CB LYS A 418 93.873 9.738 -1.356 1.00 0.00 C ATOM 1467 CG LYS A 418 93.024 8.589 -1.904 1.00 0.00 C ATOM 1468 CD LYS A 418 91.739 9.149 -2.515 1.00 0.00 C ATOM 1469 CE LYS A 418 90.829 7.996 -2.945 1.00 0.00 C ATOM 1470 NZ LYS A 418 91.379 7.364 -4.179 1.00 0.00 N ATOM 0 H LYS A 418 96.585 10.533 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 418 94.574 8.533 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.251 10.418 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 418 94.294 10.317 -2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 418 93.585 8.035 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 418 92.784 7.888 -1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 418 91.225 9.780 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 418 91.976 9.778 -3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 418 90.757 7.258 -2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 418 89.820 8.364 -3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 90.711 6.648 -4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 91.521 8.092 -4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 92.289 6.910 -3.961 1.00 0.00 H new ATOM 1484 N PRO A 419 96.649 7.409 -0.762 1.00 0.00 N ATOM 1485 CA PRO A 419 97.606 6.537 -1.509 1.00 0.00 C ATOM 1486 C PRO A 419 96.978 5.941 -2.769 1.00 0.00 C ATOM 1487 O PRO A 419 96.054 5.130 -2.691 1.00 0.00 O ATOM 1488 CB PRO A 419 97.969 5.447 -0.492 1.00 0.00 C ATOM 1489 CG PRO A 419 97.783 6.093 0.842 1.00 0.00 C ATOM 1490 CD PRO A 419 96.620 7.075 0.674 1.00 0.00 C ATOM 0 HA PRO A 419 98.474 7.088 -1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 419 97.326 4.574 -0.602 1.00 0.00 H new ATOM 0 HB3 PRO A 419 98.996 5.106 -0.627 1.00 0.00 H new ATOM 0 HG2 PRO A 419 97.560 5.350 1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 419 98.690 6.611 1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 419 95.670 6.624 0.961 1.00 0.00 H new ATOM 0 HD3 PRO A 419 96.752 7.962 1.294 1.00 0.00 H new ATOM 1498 N LEU A 420 97.487 6.348 -3.927 1.00 0.00 N ATOM 1499 CA LEU A 420 96.970 5.849 -5.196 1.00 0.00 C ATOM 1500 C LEU A 420 97.351 4.386 -5.394 1.00 0.00 C ATOM 1501 O LEU A 420 96.740 3.679 -6.196 1.00 0.00 O ATOM 1502 CB LEU A 420 97.514 6.696 -6.359 1.00 0.00 C ATOM 1503 CG LEU A 420 99.068 6.758 -6.318 1.00 0.00 C ATOM 1504 CD1 LEU A 420 99.672 5.726 -7.281 1.00 0.00 C ATOM 1505 CD2 LEU A 420 99.545 8.156 -6.737 1.00 0.00 C ATOM 0 H LEU A 420 98.252 7.017 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 420 95.883 5.925 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 420 97.187 6.271 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 420 97.104 7.704 -6.303 1.00 0.00 H new ATOM 0 HG LEU A 420 99.392 6.540 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 420 100.760 5.783 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 420 99.350 4.726 -6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 420 99.336 5.936 -8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 420 100.634 8.193 -6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 420 99.203 8.369 -7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 420 99.137 8.900 -6.053 1.00 0.00 H new ATOM 1517 N ARG A 421 98.364 3.939 -4.660 1.00 0.00 N ATOM 1518 CA ARG A 421 98.819 2.557 -4.762 1.00 0.00 C ATOM 1519 C ARG A 421 97.633 1.597 -4.749 1.00 0.00 C ATOM 1520 O ARG A 421 97.653 0.562 -5.415 1.00 0.00 O ATOM 1521 CB ARG A 421 99.757 2.228 -3.599 1.00 0.00 C ATOM 1522 CG ARG A 421 100.170 0.756 -3.675 1.00 0.00 C ATOM 1523 CD ARG A 421 101.328 0.501 -2.708 1.00 0.00 C ATOM 1524 NE ARG A 421 100.957 0.911 -1.358 1.00 0.00 N ATOM 1525 CZ ARG A 421 101.823 0.830 -0.354 1.00 0.00 C ATOM 1526 NH1 ARG A 421 103.028 0.375 -0.566 1.00 0.00 N ATOM 1527 NH2 ARG A 421 101.469 1.203 0.845 1.00 0.00 N ATOM 0 H ARG A 421 98.883 4.509 -3.992 1.00 0.00 H new ATOM 0 HA ARG A 421 99.354 2.441 -5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 421 100.640 2.867 -3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 421 99.260 2.429 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 421 99.324 0.116 -3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 421 100.469 0.503 -4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 421 101.591 -0.557 -2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 421 102.211 1.051 -3.033 1.00 0.00 H new ATOM 0 HE ARG A 421 100.017 1.266 -1.182 1.00 0.00 H new ATOM 0 HH11 ARG A 421 103.305 0.082 -1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 421 103.693 0.313 0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 421 100.527 1.557 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 421 102.134 1.141 1.616 1.00 0.00 H new ATOM 1541 N GLN A 422 96.603 1.948 -3.987 1.00 0.00 N ATOM 1542 CA GLN A 422 95.414 1.108 -3.894 1.00 0.00 C ATOM 1543 C GLN A 422 94.565 1.236 -5.154 1.00 0.00 C ATOM 1544 O GLN A 422 94.252 0.240 -5.807 1.00 0.00 O ATOM 1545 CB GLN A 422 94.582 1.511 -2.674 1.00 0.00 C ATOM 1546 CG GLN A 422 95.436 1.386 -1.410 1.00 0.00 C ATOM 1547 CD GLN A 422 94.672 1.933 -0.209 1.00 0.00 C ATOM 1548 OE1 GLN A 422 95.265 2.552 0.674 1.00 0.00 O ATOM 1549 NE2 GLN A 422 93.384 1.740 -0.124 1.00 0.00 N ATOM 0 H GLN A 422 96.566 2.801 -3.429 1.00 0.00 H new ATOM 0 HA GLN A 422 95.734 0.071 -3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 422 94.226 2.535 -2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 422 93.701 0.874 -2.595 1.00 0.00 H new ATOM 0 HG2 GLN A 422 95.698 0.342 -1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 422 96.370 1.933 -1.537 1.00 0.00 H new ATOM 0 HE21 GLN A 422 92.896 1.227 -0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 422 92.866 2.103 0.676 1.00 0.00 H new ATOM 1558 N VAL A 423 94.193 2.468 -5.491 1.00 0.00 N ATOM 1559 CA VAL A 423 93.379 2.712 -6.677 1.00 0.00 C ATOM 1560 C VAL A 423 93.898 1.908 -7.863 1.00 0.00 C ATOM 1561 O VAL A 423 93.186 1.710 -8.848 1.00 0.00 O ATOM 1562 CB VAL A 423 93.397 4.199 -7.027 1.00 0.00 C ATOM 1563 CG1 VAL A 423 92.389 4.475 -8.144 1.00 0.00 C ATOM 1564 CG2 VAL A 423 93.023 5.020 -5.790 1.00 0.00 C ATOM 0 H VAL A 423 94.440 3.306 -4.964 1.00 0.00 H new ATOM 0 HA VAL A 423 92.358 2.400 -6.459 1.00 0.00 H new ATOM 0 HB VAL A 423 94.396 4.479 -7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 423 92.403 5.536 -8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 423 92.655 3.892 -9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 423 91.390 4.194 -7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 423 93.036 6.081 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 423 92.025 4.738 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 423 93.742 4.826 -4.994 1.00 0.00 H new ATOM 1574 N GLN A 424 95.139 1.439 -7.762 1.00 0.00 N ATOM 1575 CA GLN A 424 95.735 0.651 -8.835 1.00 0.00 C ATOM 1576 C GLN A 424 94.772 -0.444 -9.281 1.00 0.00 C ATOM 1577 O GLN A 424 94.956 -1.061 -10.330 1.00 0.00 O ATOM 1578 CB GLN A 424 97.044 0.021 -8.356 1.00 0.00 C ATOM 1579 CG GLN A 424 98.064 1.121 -8.062 1.00 0.00 C ATOM 1580 CD GLN A 424 98.577 1.721 -9.367 1.00 0.00 C ATOM 1581 OE1 GLN A 424 98.605 2.942 -9.521 1.00 0.00 O ATOM 1582 NE2 GLN A 424 98.988 0.931 -10.320 1.00 0.00 N ATOM 0 H GLN A 424 95.746 1.589 -6.956 1.00 0.00 H new ATOM 0 HA GLN A 424 95.941 1.309 -9.679 1.00 0.00 H new ATOM 0 HB2 GLN A 424 96.867 -0.574 -7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 424 97.433 -0.656 -9.116 1.00 0.00 H new ATOM 0 HG2 GLN A 424 97.606 1.898 -7.450 1.00 0.00 H new ATOM 0 HG3 GLN A 424 98.896 0.713 -7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 424 98.964 -0.080 -10.190 1.00 0.00 H new ATOM 0 HE22 GLN A 424 99.334 1.325 -11.195 1.00 0.00 H new