USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 743 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 105 HIS : no HD1:sc= -3.02! C(o=-4.8!,f=-6!) USER MOD Set 1.2: A 106 CYS SG : rot 180:sc= -1.83 USER MOD Set 2.1: A 42 GLN : amide:sc= -1.76! C(o=-2.6!,f=-8.3!) USER MOD Set 2.2: A 44 GLN : amide:sc= -0.878! C(o=-2.6!,f=-6.3!) USER MOD Single : A 25 SER OG : rot 48:sc= 0.905! USER MOD Single : A 26 ASN : amide:sc= -2.4! K(o=-2.4!,f=-1.3) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 140:sc= -0.391 (180deg=-1.86!) USER MOD Single : A 50 ASN : amide:sc= -3.21! C(o=-3.2!,f=-3.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -146:sc= -0.375 (180deg=-1.88!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= -0.0584 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 140:sc= -1.61 USER MOD Single : A 70 SER OG : rot -105:sc= 0.927 USER MOD Single : A 71 SER OG : rot 44:sc= 1.23 USER MOD Single : A 74 THR OG1 : rot -85:sc= -3.67! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -2.98! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.14 K(o=-1.1,f=-7.6!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -30:sc= -0.827 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -145:sc= -0.131 (180deg=-0.885) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 10.144 -8.814 -16.850 1.00 0.00 N ATOM 375 CA ASP A 24 9.319 -9.885 -16.223 1.00 0.00 C ATOM 376 C ASP A 24 7.957 -9.953 -16.916 1.00 0.00 C ATOM 377 O ASP A 24 7.502 -8.995 -17.509 1.00 0.00 O ATOM 378 CB ASP A 24 9.119 -9.572 -14.739 1.00 0.00 C ATOM 379 CG ASP A 24 10.307 -10.109 -13.939 1.00 0.00 C ATOM 380 OD1 ASP A 24 10.414 -11.319 -13.816 1.00 0.00 O ATOM 381 OD2 ASP A 24 11.089 -9.303 -13.463 1.00 0.00 O ATOM 0 HA ASP A 24 9.829 -10.843 -16.328 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.025 -8.496 -14.593 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.193 -10.024 -14.383 1.00 0.00 H new ATOM 386 N SER A 25 7.302 -11.079 -16.843 1.00 0.00 N ATOM 387 CA SER A 25 5.968 -11.210 -17.495 1.00 0.00 C ATOM 388 C SER A 25 4.873 -10.855 -16.485 1.00 0.00 C ATOM 389 O SER A 25 3.705 -11.098 -16.711 1.00 0.00 O ATOM 390 CB SER A 25 5.774 -12.649 -17.975 1.00 0.00 C ATOM 391 OG SER A 25 4.597 -13.185 -17.385 1.00 0.00 O ATOM 0 H SER A 25 7.633 -11.914 -16.360 1.00 0.00 H new ATOM 0 HA SER A 25 5.910 -10.534 -18.348 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.694 -12.675 -19.062 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.639 -13.255 -17.704 1.00 0.00 H new ATOM 0 HG SER A 25 3.861 -12.546 -17.485 1.00 0.00 H new ATOM 397 N ASN A 26 5.243 -10.282 -15.373 1.00 0.00 N ATOM 398 CA ASN A 26 4.224 -9.912 -14.350 1.00 0.00 C ATOM 399 C ASN A 26 4.178 -8.390 -14.203 1.00 0.00 C ATOM 400 O ASN A 26 3.710 -7.866 -13.212 1.00 0.00 O ATOM 401 CB ASN A 26 4.594 -10.544 -13.007 1.00 0.00 C ATOM 402 CG ASN A 26 6.113 -10.511 -12.827 1.00 0.00 C ATOM 403 OD1 ASN A 26 6.787 -11.494 -13.066 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.686 -9.414 -12.412 1.00 0.00 N ATOM 0 H ASN A 26 6.207 -10.054 -15.128 1.00 0.00 H new ATOM 0 HA ASN A 26 3.246 -10.276 -14.664 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.109 -10.004 -12.194 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.235 -11.572 -12.966 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.698 -9.382 -12.289 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.122 -8.588 -12.211 1.00 0.00 H new ATOM 411 N VAL A 27 4.661 -7.675 -15.182 1.00 0.00 N ATOM 412 CA VAL A 27 4.645 -6.188 -15.097 1.00 0.00 C ATOM 413 C VAL A 27 4.266 -5.602 -16.459 1.00 0.00 C ATOM 414 O VAL A 27 5.088 -5.492 -17.347 1.00 0.00 O ATOM 415 CB VAL A 27 6.032 -5.684 -14.693 1.00 0.00 C ATOM 416 CG1 VAL A 27 6.124 -4.178 -14.945 1.00 0.00 C ATOM 417 CG2 VAL A 27 6.263 -5.966 -13.207 1.00 0.00 C ATOM 0 H VAL A 27 5.066 -8.057 -16.037 1.00 0.00 H new ATOM 0 HA VAL A 27 3.914 -5.876 -14.351 1.00 0.00 H new ATOM 0 HB VAL A 27 6.790 -6.197 -15.284 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.113 -3.821 -14.657 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.959 -3.975 -16.003 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.366 -3.663 -14.355 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.251 -5.607 -12.918 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.504 -5.453 -12.617 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.199 -7.039 -13.026 1.00 0.00 H new ATOM 427 N GLY A 28 3.029 -5.225 -16.630 1.00 0.00 N ATOM 428 CA GLY A 28 2.599 -4.646 -17.935 1.00 0.00 C ATOM 429 C GLY A 28 2.880 -3.142 -17.944 1.00 0.00 C ATOM 430 O GLY A 28 2.382 -2.403 -17.118 1.00 0.00 O ATOM 0 H GLY A 28 2.297 -5.293 -15.923 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.131 -5.131 -18.753 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.536 -4.829 -18.094 1.00 0.00 H new ATOM 434 N THR A 29 3.675 -2.683 -18.872 1.00 0.00 N ATOM 435 CA THR A 29 3.986 -1.226 -18.933 1.00 0.00 C ATOM 436 C THR A 29 2.866 -0.495 -19.675 1.00 0.00 C ATOM 437 O THR A 29 2.383 -0.950 -20.693 1.00 0.00 O ATOM 438 CB THR A 29 5.310 -1.019 -19.674 1.00 0.00 C ATOM 439 OG1 THR A 29 6.276 -1.936 -19.179 1.00 0.00 O ATOM 440 CG2 THR A 29 5.804 0.413 -19.455 1.00 0.00 C ATOM 0 H THR A 29 4.122 -3.253 -19.590 1.00 0.00 H new ATOM 0 HA THR A 29 4.069 -0.829 -17.921 1.00 0.00 H new ATOM 0 HB THR A 29 5.159 -1.189 -20.740 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.124 -1.806 -19.653 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.746 0.558 -19.983 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.063 1.116 -19.836 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.955 0.587 -18.390 1.00 0.00 H new ATOM 448 N GLY A 30 2.447 0.633 -19.173 1.00 0.00 N ATOM 449 CA GLY A 30 1.358 1.393 -19.848 1.00 0.00 C ATOM 450 C GLY A 30 1.794 2.847 -20.041 1.00 0.00 C ATOM 451 O GLY A 30 1.502 3.705 -19.232 1.00 0.00 O ATOM 0 H GLY A 30 2.812 1.062 -18.323 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.128 0.940 -20.812 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.447 1.352 -19.251 1.00 0.00 H new ATOM 455 N MET A 31 2.492 3.129 -21.107 1.00 0.00 N ATOM 456 CA MET A 31 2.949 4.526 -21.351 1.00 0.00 C ATOM 457 C MET A 31 1.946 5.242 -22.257 1.00 0.00 C ATOM 458 O MET A 31 1.865 4.978 -23.441 1.00 0.00 O ATOM 459 CB MET A 31 4.321 4.499 -22.031 1.00 0.00 C ATOM 460 CG MET A 31 5.417 4.444 -20.965 1.00 0.00 C ATOM 461 SD MET A 31 7.040 4.495 -21.764 1.00 0.00 S ATOM 462 CE MET A 31 7.865 5.537 -20.535 1.00 0.00 C ATOM 0 H MET A 31 2.765 2.452 -21.819 1.00 0.00 H new ATOM 0 HA MET A 31 3.022 5.056 -20.401 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.395 3.634 -22.690 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.448 5.385 -22.653 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.312 5.283 -20.277 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.319 3.533 -20.374 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.901 5.701 -20.833 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.351 6.496 -20.467 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.841 5.043 -19.564 1.00 0.00 H new ATOM 472 N VAL A 32 1.181 6.148 -21.712 1.00 0.00 N ATOM 473 CA VAL A 32 0.185 6.880 -22.544 1.00 0.00 C ATOM 474 C VAL A 32 0.225 8.370 -22.197 1.00 0.00 C ATOM 475 O VAL A 32 0.860 8.779 -21.246 1.00 0.00 O ATOM 476 CB VAL A 32 -1.215 6.329 -22.265 1.00 0.00 C ATOM 477 CG1 VAL A 32 -1.396 4.994 -22.988 1.00 0.00 C ATOM 478 CG2 VAL A 32 -1.387 6.118 -20.759 1.00 0.00 C ATOM 0 H VAL A 32 1.203 6.413 -20.727 1.00 0.00 H new ATOM 0 HA VAL A 32 0.425 6.747 -23.599 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.961 7.039 -22.623 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.394 4.604 -22.787 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.273 5.142 -24.061 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.650 4.283 -22.632 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.384 5.725 -20.558 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.639 5.409 -20.403 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.260 7.069 -20.242 1.00 0.00 H new ATOM 488 N GLY A 33 -0.452 9.183 -22.961 1.00 0.00 N ATOM 489 CA GLY A 33 -0.456 10.646 -22.678 1.00 0.00 C ATOM 490 C GLY A 33 -1.574 11.315 -23.476 1.00 0.00 C ATOM 491 O GLY A 33 -2.376 10.657 -24.110 1.00 0.00 O ATOM 0 H GLY A 33 -1.003 8.897 -23.770 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.601 10.821 -21.612 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.507 11.082 -22.945 1.00 0.00 H new ATOM 495 N ALA A 34 -1.637 12.618 -23.453 1.00 0.00 N ATOM 496 CA ALA A 34 -2.707 13.325 -24.212 1.00 0.00 C ATOM 497 C ALA A 34 -2.072 14.347 -25.157 1.00 0.00 C ATOM 498 O ALA A 34 -1.912 15.502 -24.817 1.00 0.00 O ATOM 499 CB ALA A 34 -3.637 14.043 -23.232 1.00 0.00 C ATOM 0 H ALA A 34 -0.994 13.223 -22.942 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.280 12.602 -24.793 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.420 14.561 -23.786 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.089 13.314 -22.559 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.065 14.767 -22.651 1.00 0.00 H new ATOM 505 N PRO A 35 -1.715 13.918 -26.337 1.00 0.00 N ATOM 506 CA PRO A 35 -1.086 14.801 -27.359 1.00 0.00 C ATOM 507 C PRO A 35 -1.886 16.088 -27.584 1.00 0.00 C ATOM 508 O PRO A 35 -1.417 17.022 -28.202 1.00 0.00 O ATOM 509 CB PRO A 35 -1.078 13.951 -28.631 1.00 0.00 C ATOM 510 CG PRO A 35 -1.150 12.533 -28.168 1.00 0.00 C ATOM 511 CD PRO A 35 -1.875 12.540 -26.822 1.00 0.00 C ATOM 0 HA PRO A 35 -0.093 15.127 -27.050 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.924 14.197 -29.272 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.174 14.127 -29.214 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.685 11.918 -28.891 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.151 12.109 -28.066 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.927 12.276 -26.934 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.438 11.820 -26.130 1.00 0.00 H new ATOM 519 N ALA A 36 -3.092 16.143 -27.088 1.00 0.00 N ATOM 520 CA ALA A 36 -3.919 17.369 -27.276 1.00 0.00 C ATOM 521 C ALA A 36 -3.190 18.572 -26.675 1.00 0.00 C ATOM 522 O ALA A 36 -3.132 19.634 -27.262 1.00 0.00 O ATOM 523 CB ALA A 36 -5.267 17.188 -26.575 1.00 0.00 C ATOM 0 H ALA A 36 -3.540 15.393 -26.561 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.083 17.537 -28.340 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.872 18.084 -26.712 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.787 16.330 -27.002 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.104 17.020 -25.510 1.00 0.00 H new ATOM 529 N CYS A 37 -2.632 18.416 -25.505 1.00 0.00 N ATOM 530 CA CYS A 37 -1.906 19.550 -24.868 1.00 0.00 C ATOM 531 C CYS A 37 -0.448 19.154 -24.631 1.00 0.00 C ATOM 532 O CYS A 37 0.457 19.948 -24.798 1.00 0.00 O ATOM 533 CB CYS A 37 -2.566 19.889 -23.530 1.00 0.00 C ATOM 534 SG CYS A 37 -4.336 20.170 -23.782 1.00 0.00 S ATOM 0 H CYS A 37 -2.648 17.552 -24.963 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.944 20.420 -25.524 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.414 19.075 -22.821 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.104 20.777 -23.099 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.896 20.456 -22.644 1.00 0.00 H new ATOM 540 N GLY A 38 -0.211 17.930 -24.244 1.00 0.00 N ATOM 541 CA GLY A 38 1.190 17.484 -23.999 1.00 0.00 C ATOM 542 C GLY A 38 1.309 16.914 -22.583 1.00 0.00 C ATOM 543 O GLY A 38 2.308 17.092 -21.915 1.00 0.00 O ATOM 0 H GLY A 38 -0.926 17.220 -24.087 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.475 16.728 -24.731 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.876 18.322 -24.123 1.00 0.00 H new ATOM 547 N ASP A 39 0.299 16.229 -22.122 1.00 0.00 N ATOM 548 CA ASP A 39 0.357 15.649 -20.750 1.00 0.00 C ATOM 549 C ASP A 39 0.896 14.220 -20.822 1.00 0.00 C ATOM 550 O ASP A 39 0.282 13.343 -21.398 1.00 0.00 O ATOM 551 CB ASP A 39 -1.047 15.633 -20.144 1.00 0.00 C ATOM 552 CG ASP A 39 -1.164 16.740 -19.094 1.00 0.00 C ATOM 553 OD1 ASP A 39 -0.455 16.667 -18.104 1.00 0.00 O ATOM 554 OD2 ASP A 39 -1.960 17.641 -19.299 1.00 0.00 O ATOM 0 H ASP A 39 -0.563 16.046 -22.635 1.00 0.00 H new ATOM 0 HA ASP A 39 1.016 16.255 -20.128 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.793 15.778 -20.925 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.247 14.663 -19.689 1.00 0.00 H new ATOM 559 N VAL A 40 2.038 13.974 -20.239 1.00 0.00 N ATOM 560 CA VAL A 40 2.609 12.598 -20.275 1.00 0.00 C ATOM 561 C VAL A 40 2.140 11.829 -19.038 1.00 0.00 C ATOM 562 O VAL A 40 2.216 12.316 -17.928 1.00 0.00 O ATOM 563 CB VAL A 40 4.138 12.675 -20.280 1.00 0.00 C ATOM 564 CG1 VAL A 40 4.716 11.300 -20.620 1.00 0.00 C ATOM 565 CG2 VAL A 40 4.599 13.691 -21.330 1.00 0.00 C ATOM 0 H VAL A 40 2.599 14.665 -19.741 1.00 0.00 H new ATOM 0 HA VAL A 40 2.273 12.086 -21.177 1.00 0.00 H new ATOM 0 HB VAL A 40 4.486 12.986 -19.295 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.805 11.354 -20.624 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.391 10.574 -19.874 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.365 10.991 -21.604 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.688 13.744 -21.332 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.249 13.381 -22.315 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.188 14.672 -21.092 1.00 0.00 H new ATOM 575 N MET A 41 1.646 10.634 -19.219 1.00 0.00 N ATOM 576 CA MET A 41 1.165 9.844 -18.052 1.00 0.00 C ATOM 577 C MET A 41 1.681 8.406 -18.151 1.00 0.00 C ATOM 578 O MET A 41 1.575 7.766 -19.178 1.00 0.00 O ATOM 579 CB MET A 41 -0.365 9.838 -18.044 1.00 0.00 C ATOM 580 CG MET A 41 -0.870 9.021 -16.853 1.00 0.00 C ATOM 581 SD MET A 41 -2.487 9.651 -16.335 1.00 0.00 S ATOM 582 CE MET A 41 -3.000 8.204 -15.377 1.00 0.00 C ATOM 0 H MET A 41 1.555 10.172 -20.124 1.00 0.00 H new ATOM 0 HA MET A 41 1.536 10.295 -17.131 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.742 10.859 -17.983 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.742 9.414 -18.975 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.948 7.969 -17.126 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.161 9.084 -16.027 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.991 8.378 -14.957 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.030 7.329 -16.027 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.289 8.032 -14.569 1.00 0.00 H new ATOM 592 N GLN A 42 2.237 7.895 -17.086 1.00 0.00 N ATOM 593 CA GLN A 42 2.760 6.499 -17.112 1.00 0.00 C ATOM 594 C GLN A 42 2.130 5.702 -15.967 1.00 0.00 C ATOM 595 O GLN A 42 2.094 6.146 -14.836 1.00 0.00 O ATOM 596 CB GLN A 42 4.281 6.520 -16.943 1.00 0.00 C ATOM 597 CG GLN A 42 4.779 5.107 -16.634 1.00 0.00 C ATOM 598 CD GLN A 42 6.268 5.005 -16.971 1.00 0.00 C ATOM 599 OE1 GLN A 42 6.749 3.951 -17.336 1.00 0.00 O ATOM 600 NE2 GLN A 42 7.023 6.064 -16.861 1.00 0.00 N ATOM 0 H GLN A 42 2.352 8.384 -16.198 1.00 0.00 H new ATOM 0 HA GLN A 42 2.508 6.032 -18.064 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.753 6.893 -17.852 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.559 7.199 -16.137 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.617 4.875 -15.581 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.214 4.376 -17.212 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.619 6.949 -16.555 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.017 6.007 -17.082 1.00 0.00 H new ATOM 609 N LEU A 43 1.632 4.529 -16.249 1.00 0.00 N ATOM 610 CA LEU A 43 1.004 3.707 -15.175 1.00 0.00 C ATOM 611 C LEU A 43 1.330 2.231 -15.404 1.00 0.00 C ATOM 612 O LEU A 43 0.870 1.623 -16.351 1.00 0.00 O ATOM 613 CB LEU A 43 -0.513 3.907 -15.204 1.00 0.00 C ATOM 614 CG LEU A 43 -1.164 3.068 -14.101 1.00 0.00 C ATOM 615 CD1 LEU A 43 -2.066 3.959 -13.245 1.00 0.00 C ATOM 616 CD2 LEU A 43 -2.002 1.954 -14.733 1.00 0.00 C ATOM 0 H LEU A 43 1.633 4.104 -17.176 1.00 0.00 H new ATOM 0 HA LEU A 43 1.393 4.016 -14.205 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.754 4.961 -15.063 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.909 3.617 -16.177 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.387 2.629 -13.475 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.529 3.361 -12.460 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.471 4.752 -12.793 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.842 4.399 -13.871 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.465 1.357 -13.947 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.778 2.393 -15.360 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.361 1.317 -15.342 1.00 0.00 H new ATOM 628 N GLN A 44 2.120 1.646 -14.545 1.00 0.00 N ATOM 629 CA GLN A 44 2.475 0.208 -14.714 1.00 0.00 C ATOM 630 C GLN A 44 1.669 -0.635 -13.725 1.00 0.00 C ATOM 631 O GLN A 44 1.414 -0.226 -12.608 1.00 0.00 O ATOM 632 CB GLN A 44 3.970 0.019 -14.450 1.00 0.00 C ATOM 633 CG GLN A 44 4.776 0.816 -15.479 1.00 0.00 C ATOM 634 CD GLN A 44 5.903 1.583 -14.777 1.00 0.00 C ATOM 635 OE1 GLN A 44 6.103 1.440 -13.587 1.00 0.00 O ATOM 636 NE2 GLN A 44 6.653 2.394 -15.471 1.00 0.00 N ATOM 0 H GLN A 44 2.535 2.102 -13.733 1.00 0.00 H new ATOM 0 HA GLN A 44 2.244 -0.108 -15.731 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.217 0.352 -13.442 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.230 -1.038 -14.509 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.194 0.143 -16.228 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.123 1.512 -16.005 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.486 2.514 -16.470 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.407 2.908 -15.015 1.00 0.00 H new ATOM 645 N ILE A 45 1.264 -1.812 -14.122 1.00 0.00 N ATOM 646 CA ILE A 45 0.474 -2.677 -13.200 1.00 0.00 C ATOM 647 C ILE A 45 1.349 -3.830 -12.703 1.00 0.00 C ATOM 648 O ILE A 45 2.216 -4.312 -13.405 1.00 0.00 O ATOM 649 CB ILE A 45 -0.739 -3.241 -13.943 1.00 0.00 C ATOM 650 CG1 ILE A 45 -0.414 -3.362 -15.434 1.00 0.00 C ATOM 651 CG2 ILE A 45 -1.931 -2.302 -13.757 1.00 0.00 C ATOM 652 CD1 ILE A 45 -1.176 -4.550 -16.026 1.00 0.00 C ATOM 0 H ILE A 45 1.446 -2.211 -15.043 1.00 0.00 H new ATOM 0 HA ILE A 45 0.137 -2.085 -12.349 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.984 -4.225 -13.544 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.690 -2.444 -15.953 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.658 -3.498 -15.574 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.796 -2.703 -14.286 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.163 -2.215 -12.696 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.685 -1.318 -14.157 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.946 -4.637 -17.088 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.879 -5.465 -15.514 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.247 -4.395 -15.899 1.00 0.00 H new ATOM 664 N LYS A 46 1.128 -4.276 -11.496 1.00 0.00 N ATOM 665 CA LYS A 46 1.947 -5.397 -10.952 1.00 0.00 C ATOM 666 C LYS A 46 1.032 -6.577 -10.614 1.00 0.00 C ATOM 667 O LYS A 46 0.158 -6.478 -9.775 1.00 0.00 O ATOM 668 CB LYS A 46 2.670 -4.930 -9.684 1.00 0.00 C ATOM 669 CG LYS A 46 4.173 -5.175 -9.832 1.00 0.00 C ATOM 670 CD LYS A 46 4.430 -6.667 -10.045 1.00 0.00 C ATOM 671 CE LYS A 46 5.688 -7.083 -9.283 1.00 0.00 C ATOM 672 NZ LYS A 46 5.536 -6.731 -7.842 1.00 0.00 N ATOM 0 H LYS A 46 0.416 -3.912 -10.863 1.00 0.00 H new ATOM 0 HA LYS A 46 2.681 -5.708 -11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.479 -3.871 -9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.287 -5.467 -8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.564 -4.604 -10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.698 -4.829 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.574 -7.247 -9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.550 -6.878 -11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.854 -8.155 -9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.561 -6.582 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.929 -7.494 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.045 -5.846 -7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.528 -6.607 -7.619 1.00 0.00 H new ATOM 686 N VAL A 47 1.226 -7.695 -11.259 1.00 0.00 N ATOM 687 CA VAL A 47 0.369 -8.880 -10.973 1.00 0.00 C ATOM 688 C VAL A 47 1.214 -9.974 -10.318 1.00 0.00 C ATOM 689 O VAL A 47 2.303 -10.280 -10.760 1.00 0.00 O ATOM 690 CB VAL A 47 -0.224 -9.409 -12.281 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.240 -10.509 -11.972 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.920 -8.266 -13.025 1.00 0.00 C ATOM 0 H VAL A 47 1.941 -7.839 -11.972 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.437 -8.591 -10.299 1.00 0.00 H new ATOM 0 HB VAL A 47 0.573 -9.815 -12.903 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.663 -10.886 -12.903 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.745 -11.323 -11.442 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.038 -10.103 -11.350 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.342 -8.642 -13.957 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.717 -7.859 -12.403 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.196 -7.481 -13.246 1.00 0.00 H new ATOM 702 N ASP A 48 0.719 -10.569 -9.266 1.00 0.00 N ATOM 703 CA ASP A 48 1.494 -11.644 -8.585 1.00 0.00 C ATOM 704 C ASP A 48 0.609 -12.334 -7.546 1.00 0.00 C ATOM 705 O ASP A 48 0.753 -13.510 -7.280 1.00 0.00 O ATOM 706 CB ASP A 48 2.710 -11.037 -7.887 1.00 0.00 C ATOM 707 CG ASP A 48 3.956 -11.255 -8.748 1.00 0.00 C ATOM 708 OD1 ASP A 48 4.035 -12.292 -9.388 1.00 0.00 O ATOM 709 OD2 ASP A 48 4.809 -10.385 -8.752 1.00 0.00 O ATOM 0 H ASP A 48 -0.188 -10.357 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 48 1.824 -12.372 -9.326 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.552 -9.971 -7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.847 -11.496 -6.908 1.00 0.00 H new ATOM 714 N ASP A 49 -0.305 -11.611 -6.956 1.00 0.00 N ATOM 715 CA ASP A 49 -1.199 -12.229 -5.937 1.00 0.00 C ATOM 716 C ASP A 49 -2.031 -13.325 -6.601 1.00 0.00 C ATOM 717 O ASP A 49 -3.241 -13.352 -6.494 1.00 0.00 O ATOM 718 CB ASP A 49 -2.128 -11.160 -5.357 1.00 0.00 C ATOM 719 CG ASP A 49 -1.442 -10.472 -4.176 1.00 0.00 C ATOM 720 OD1 ASP A 49 -0.240 -10.632 -4.039 1.00 0.00 O ATOM 721 OD2 ASP A 49 -2.129 -9.797 -3.427 1.00 0.00 O ATOM 0 H ASP A 49 -0.470 -10.621 -7.136 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.600 -12.659 -5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.378 -10.426 -6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.064 -11.614 -5.033 1.00 0.00 H new ATOM 726 N ASN A 50 -1.388 -14.224 -7.294 1.00 0.00 N ATOM 727 CA ASN A 50 -2.133 -15.319 -7.977 1.00 0.00 C ATOM 728 C ASN A 50 -2.836 -14.751 -9.211 1.00 0.00 C ATOM 729 O ASN A 50 -4.009 -14.982 -9.432 1.00 0.00 O ATOM 730 CB ASN A 50 -3.174 -15.912 -7.023 1.00 0.00 C ATOM 731 CG ASN A 50 -2.612 -15.932 -5.600 1.00 0.00 C ATOM 732 OD1 ASN A 50 -1.916 -16.854 -5.222 1.00 0.00 O ATOM 733 ND2 ASN A 50 -2.886 -14.947 -4.789 1.00 0.00 N ATOM 0 H ASN A 50 -0.376 -14.247 -7.417 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.436 -16.102 -8.276 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.090 -15.322 -7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.435 -16.923 -7.336 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.516 -14.951 -3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.470 -14.173 -5.106 1.00 0.00 H new ATOM 740 N GLY A 51 -2.128 -14.004 -10.014 1.00 0.00 N ATOM 741 CA GLY A 51 -2.755 -13.416 -11.231 1.00 0.00 C ATOM 742 C GLY A 51 -3.521 -12.149 -10.844 1.00 0.00 C ATOM 743 O GLY A 51 -3.988 -11.411 -11.691 1.00 0.00 O ATOM 0 H GLY A 51 -1.143 -13.776 -9.880 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.990 -13.180 -11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.431 -14.137 -11.690 1.00 0.00 H new ATOM 747 N ILE A 52 -3.654 -11.891 -9.573 1.00 0.00 N ATOM 748 CA ILE A 52 -4.388 -10.671 -9.133 1.00 0.00 C ATOM 749 C ILE A 52 -3.419 -9.489 -9.060 1.00 0.00 C ATOM 750 O ILE A 52 -2.217 -9.661 -9.032 1.00 0.00 O ATOM 751 CB ILE A 52 -5.002 -10.918 -7.754 1.00 0.00 C ATOM 752 CG1 ILE A 52 -5.987 -12.087 -7.840 1.00 0.00 C ATOM 753 CG2 ILE A 52 -5.744 -9.664 -7.292 1.00 0.00 C ATOM 754 CD1 ILE A 52 -7.048 -11.783 -8.899 1.00 0.00 C ATOM 0 H ILE A 52 -3.286 -12.472 -8.820 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.179 -10.444 -9.847 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.212 -11.155 -7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.457 -13.005 -8.094 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.460 -12.250 -6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.181 -9.841 -6.309 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.046 -8.829 -7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.535 -9.426 -8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.749 -12.615 -8.961 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.585 -10.875 -8.626 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.566 -11.642 -9.867 1.00 0.00 H new ATOM 766 N ILE A 53 -3.933 -8.289 -9.034 1.00 0.00 N ATOM 767 CA ILE A 53 -3.040 -7.097 -8.970 1.00 0.00 C ATOM 768 C ILE A 53 -2.556 -6.890 -7.533 1.00 0.00 C ATOM 769 O ILE A 53 -3.341 -6.694 -6.626 1.00 0.00 O ATOM 770 CB ILE A 53 -3.814 -5.858 -9.427 1.00 0.00 C ATOM 771 CG1 ILE A 53 -4.032 -5.920 -10.941 1.00 0.00 C ATOM 772 CG2 ILE A 53 -3.015 -4.599 -9.081 1.00 0.00 C ATOM 773 CD1 ILE A 53 -4.924 -4.755 -11.375 1.00 0.00 C ATOM 0 H ILE A 53 -4.932 -8.083 -9.054 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.180 -7.255 -9.621 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.779 -5.828 -8.921 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.074 -5.872 -11.460 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.495 -6.868 -11.214 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.567 -3.717 -9.407 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.859 -4.552 -8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.050 -4.630 -9.586 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.080 -4.798 -12.453 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.886 -4.824 -10.866 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.443 -3.812 -11.115 1.00 0.00 H new ATOM 785 N GLU A 54 -1.269 -6.923 -7.320 1.00 0.00 N ATOM 786 CA GLU A 54 -0.735 -6.721 -5.943 1.00 0.00 C ATOM 787 C GLU A 54 -0.564 -5.223 -5.684 1.00 0.00 C ATOM 788 O GLU A 54 -0.709 -4.754 -4.573 1.00 0.00 O ATOM 789 CB GLU A 54 0.621 -7.418 -5.811 1.00 0.00 C ATOM 790 CG GLU A 54 0.969 -7.584 -4.329 1.00 0.00 C ATOM 791 CD GLU A 54 2.369 -7.028 -4.064 1.00 0.00 C ATOM 792 OE1 GLU A 54 3.280 -7.403 -4.783 1.00 0.00 O ATOM 793 OE2 GLU A 54 2.506 -6.237 -3.146 1.00 0.00 O ATOM 0 H GLU A 54 -0.564 -7.081 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.430 -7.143 -5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.590 -8.392 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.392 -6.834 -6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.237 -7.062 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.927 -8.637 -4.051 1.00 0.00 H new ATOM 800 N ASP A 55 -0.260 -4.470 -6.706 1.00 0.00 N ATOM 801 CA ASP A 55 -0.081 -3.002 -6.529 1.00 0.00 C ATOM 802 C ASP A 55 0.160 -2.356 -7.894 1.00 0.00 C ATOM 803 O ASP A 55 0.589 -3.003 -8.829 1.00 0.00 O ATOM 804 CB ASP A 55 1.120 -2.736 -5.620 1.00 0.00 C ATOM 805 CG ASP A 55 2.322 -3.546 -6.111 1.00 0.00 C ATOM 806 OD1 ASP A 55 2.361 -4.735 -5.839 1.00 0.00 O ATOM 807 OD2 ASP A 55 3.182 -2.963 -6.750 1.00 0.00 O ATOM 0 H ASP A 55 -0.128 -4.810 -7.658 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.977 -2.578 -6.075 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.360 -1.673 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.879 -3.009 -4.593 1.00 0.00 H new ATOM 812 N ALA A 56 -0.110 -1.087 -8.019 1.00 0.00 N ATOM 813 CA ALA A 56 0.105 -0.406 -9.327 1.00 0.00 C ATOM 814 C ALA A 56 0.895 0.886 -9.108 1.00 0.00 C ATOM 815 O ALA A 56 0.662 1.615 -8.164 1.00 0.00 O ATOM 816 CB ALA A 56 -1.248 -0.076 -9.959 1.00 0.00 C ATOM 0 H ALA A 56 -0.470 -0.492 -7.273 1.00 0.00 H new ATOM 0 HA ALA A 56 0.665 -1.065 -9.991 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.091 0.422 -10.916 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.810 -0.997 -10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.809 0.582 -9.295 1.00 0.00 H new ATOM 822 N LYS A 57 1.828 1.176 -9.972 1.00 0.00 N ATOM 823 CA LYS A 57 2.629 2.422 -9.812 1.00 0.00 C ATOM 824 C LYS A 57 2.136 3.475 -10.806 1.00 0.00 C ATOM 825 O LYS A 57 2.203 3.290 -12.005 1.00 0.00 O ATOM 826 CB LYS A 57 4.105 2.122 -10.081 1.00 0.00 C ATOM 827 CG LYS A 57 4.964 3.272 -9.548 1.00 0.00 C ATOM 828 CD LYS A 57 5.709 2.814 -8.291 1.00 0.00 C ATOM 829 CE LYS A 57 6.172 4.032 -7.486 1.00 0.00 C ATOM 830 NZ LYS A 57 7.661 4.058 -7.437 1.00 0.00 N ATOM 0 H LYS A 57 2.070 0.605 -10.781 1.00 0.00 H new ATOM 0 HA LYS A 57 2.515 2.797 -8.795 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.391 1.187 -9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.272 1.994 -11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.676 3.591 -10.309 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.336 4.133 -9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.058 2.189 -7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.568 2.203 -8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.796 4.948 -7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.765 3.990 -6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.976 4.885 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.009 3.190 -6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.039 4.118 -8.404 1.00 0.00 H new ATOM 844 N PHE A 58 1.638 4.578 -10.319 1.00 0.00 N ATOM 845 CA PHE A 58 1.142 5.639 -11.239 1.00 0.00 C ATOM 846 C PHE A 58 2.159 6.780 -11.298 1.00 0.00 C ATOM 847 O PHE A 58 3.060 6.864 -10.487 1.00 0.00 O ATOM 848 CB PHE A 58 -0.198 6.174 -10.729 1.00 0.00 C ATOM 849 CG PHE A 58 -0.016 6.758 -9.348 1.00 0.00 C ATOM 850 CD1 PHE A 58 0.178 5.911 -8.250 1.00 0.00 C ATOM 851 CD2 PHE A 58 -0.043 8.145 -9.166 1.00 0.00 C ATOM 852 CE1 PHE A 58 0.346 6.453 -6.970 1.00 0.00 C ATOM 853 CE2 PHE A 58 0.124 8.687 -7.885 1.00 0.00 C ATOM 854 CZ PHE A 58 0.318 7.840 -6.788 1.00 0.00 C ATOM 0 H PHE A 58 1.553 4.790 -9.325 1.00 0.00 H new ATOM 0 HA PHE A 58 1.008 5.220 -12.236 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.580 6.935 -11.409 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.935 5.372 -10.702 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.198 4.840 -8.390 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.193 8.798 -10.013 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.497 5.800 -6.123 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.103 9.758 -7.744 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.446 8.257 -5.800 1.00 0.00 H new ATOM 864 N LYS A 59 2.022 7.660 -12.251 1.00 0.00 N ATOM 865 CA LYS A 59 2.981 8.795 -12.362 1.00 0.00 C ATOM 866 C LYS A 59 2.424 9.836 -13.334 1.00 0.00 C ATOM 867 O LYS A 59 2.617 9.749 -14.530 1.00 0.00 O ATOM 868 CB LYS A 59 4.324 8.278 -12.880 1.00 0.00 C ATOM 869 CG LYS A 59 5.434 9.257 -12.493 1.00 0.00 C ATOM 870 CD LYS A 59 6.797 8.608 -12.742 1.00 0.00 C ATOM 871 CE LYS A 59 7.326 8.013 -11.436 1.00 0.00 C ATOM 872 NZ LYS A 59 7.367 9.072 -10.388 1.00 0.00 N ATOM 0 H LYS A 59 1.287 7.642 -12.958 1.00 0.00 H new ATOM 0 HA LYS A 59 3.122 9.251 -11.382 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.532 7.293 -12.462 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.288 8.163 -13.963 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.344 10.174 -13.076 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.338 9.535 -11.444 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.708 7.829 -13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.499 9.348 -13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.687 7.191 -11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.323 7.600 -11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.179 8.907 -9.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.463 10.004 -10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.488 9.045 -9.833 1.00 0.00 H new ATOM 886 N THR A 60 1.731 10.820 -12.830 1.00 0.00 N ATOM 887 CA THR A 60 1.158 11.863 -13.727 1.00 0.00 C ATOM 888 C THR A 60 1.569 13.250 -13.226 1.00 0.00 C ATOM 889 O THR A 60 1.517 13.535 -12.046 1.00 0.00 O ATOM 890 CB THR A 60 -0.368 11.751 -13.728 1.00 0.00 C ATOM 891 OG1 THR A 60 -0.936 13.051 -13.682 1.00 0.00 O ATOM 892 CG2 THR A 60 -0.823 10.949 -12.507 1.00 0.00 C ATOM 0 H THR A 60 1.537 10.947 -11.837 1.00 0.00 H new ATOM 0 HA THR A 60 1.534 11.718 -14.740 1.00 0.00 H new ATOM 0 HB THR A 60 -0.695 11.243 -14.635 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.914 12.981 -13.684 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.910 10.870 -12.508 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.386 9.951 -12.544 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.497 11.454 -11.598 1.00 0.00 H new ATOM 900 N TYR A 61 1.979 14.114 -14.115 1.00 0.00 N ATOM 901 CA TYR A 61 2.393 15.481 -13.690 1.00 0.00 C ATOM 902 C TYR A 61 2.123 16.472 -14.826 1.00 0.00 C ATOM 903 O TYR A 61 2.348 16.180 -15.983 1.00 0.00 O ATOM 904 CB TYR A 61 3.886 15.482 -13.355 1.00 0.00 C ATOM 905 CG TYR A 61 4.264 16.808 -12.741 1.00 0.00 C ATOM 906 CD1 TYR A 61 4.452 17.930 -13.556 1.00 0.00 C ATOM 907 CD2 TYR A 61 4.429 16.915 -11.355 1.00 0.00 C ATOM 908 CE1 TYR A 61 4.805 19.160 -12.986 1.00 0.00 C ATOM 909 CE2 TYR A 61 4.781 18.145 -10.785 1.00 0.00 C ATOM 910 CZ TYR A 61 4.970 19.267 -11.601 1.00 0.00 C ATOM 911 OH TYR A 61 5.318 20.479 -11.038 1.00 0.00 O ATOM 0 H TYR A 61 2.045 13.932 -15.116 1.00 0.00 H new ATOM 0 HA TYR A 61 1.824 15.775 -12.808 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.115 14.671 -12.664 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.472 15.307 -14.257 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.325 17.848 -14.625 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.285 16.049 -10.725 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.950 20.025 -13.616 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.907 18.228 -9.716 1.00 0.00 H new ATOM 0 HH TYR A 61 5.391 20.379 -10.066 1.00 0.00 H new ATOM 921 N GLY A 62 1.643 17.643 -14.504 1.00 0.00 N ATOM 922 CA GLY A 62 1.359 18.651 -15.565 1.00 0.00 C ATOM 923 C GLY A 62 0.162 19.508 -15.149 1.00 0.00 C ATOM 924 O GLY A 62 0.181 20.717 -15.268 1.00 0.00 O ATOM 0 H GLY A 62 1.435 17.945 -13.552 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.233 19.282 -15.725 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.150 18.150 -16.510 1.00 0.00 H new ATOM 928 N CYS A 63 -0.878 18.891 -14.659 1.00 0.00 N ATOM 929 CA CYS A 63 -2.076 19.669 -14.232 1.00 0.00 C ATOM 930 C CYS A 63 -2.328 19.436 -12.741 1.00 0.00 C ATOM 931 O CYS A 63 -2.478 18.316 -12.295 1.00 0.00 O ATOM 932 CB CYS A 63 -3.296 19.212 -15.034 1.00 0.00 C ATOM 933 SG CYS A 63 -4.801 19.549 -14.086 1.00 0.00 S ATOM 0 H CYS A 63 -0.950 17.881 -14.536 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.903 20.730 -14.411 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.332 19.733 -15.991 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.222 18.147 -15.253 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.839 19.163 -14.767 1.00 0.00 H new ATOM 939 N GLY A 64 -2.374 20.484 -11.965 1.00 0.00 N ATOM 940 CA GLY A 64 -2.614 20.319 -10.503 1.00 0.00 C ATOM 941 C GLY A 64 -4.030 19.788 -10.270 1.00 0.00 C ATOM 942 O GLY A 64 -4.876 20.468 -9.727 1.00 0.00 O ATOM 0 H GLY A 64 -2.256 21.447 -12.280 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.883 19.630 -10.080 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.485 21.274 -9.993 1.00 0.00 H new ATOM 946 N SER A 65 -4.293 18.575 -10.674 1.00 0.00 N ATOM 947 CA SER A 65 -5.655 18.004 -10.472 1.00 0.00 C ATOM 948 C SER A 65 -5.668 16.538 -10.910 1.00 0.00 C ATOM 949 O SER A 65 -6.135 15.672 -10.198 1.00 0.00 O ATOM 950 CB SER A 65 -6.667 18.792 -11.304 1.00 0.00 C ATOM 951 OG SER A 65 -7.886 18.901 -10.582 1.00 0.00 O ATOM 0 H SER A 65 -3.625 17.956 -11.134 1.00 0.00 H new ATOM 0 HA SER A 65 -5.921 18.069 -9.417 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.275 19.784 -11.530 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.839 18.292 -12.257 1.00 0.00 H new ATOM 0 HG SER A 65 -8.536 19.407 -11.112 1.00 0.00 H new ATOM 957 N ALA A 66 -5.160 16.253 -12.079 1.00 0.00 N ATOM 958 CA ALA A 66 -5.146 14.844 -12.561 1.00 0.00 C ATOM 959 C ALA A 66 -4.516 13.943 -11.496 1.00 0.00 C ATOM 960 O ALA A 66 -4.438 12.742 -11.654 1.00 0.00 O ATOM 961 CB ALA A 66 -4.330 14.755 -13.852 1.00 0.00 C ATOM 0 H ALA A 66 -4.755 16.935 -12.720 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.168 14.517 -12.753 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.319 13.724 -14.205 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.780 15.394 -14.612 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.308 15.083 -13.660 1.00 0.00 H new ATOM 967 N ILE A 67 -4.067 14.515 -10.412 1.00 0.00 N ATOM 968 CA ILE A 67 -3.442 13.691 -9.339 1.00 0.00 C ATOM 969 C ILE A 67 -4.540 13.087 -8.460 1.00 0.00 C ATOM 970 O ILE A 67 -4.294 12.211 -7.656 1.00 0.00 O ATOM 971 CB ILE A 67 -2.531 14.571 -8.480 1.00 0.00 C ATOM 972 CG1 ILE A 67 -1.713 15.502 -9.382 1.00 0.00 C ATOM 973 CG2 ILE A 67 -1.582 13.689 -7.668 1.00 0.00 C ATOM 974 CD1 ILE A 67 -0.615 14.701 -10.085 1.00 0.00 C ATOM 0 H ILE A 67 -4.106 15.517 -10.223 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.853 12.893 -9.791 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.143 15.167 -7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.362 15.973 -10.120 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.270 16.303 -8.789 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.934 14.318 -7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.161 13.029 -7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.973 13.090 -8.345 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.034 15.364 -10.726 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.041 14.251 -9.340 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.068 13.916 -10.691 1.00 0.00 H new ATOM 986 N ALA A 68 -5.751 13.551 -8.607 1.00 0.00 N ATOM 987 CA ALA A 68 -6.865 13.008 -7.778 1.00 0.00 C ATOM 988 C ALA A 68 -7.366 11.696 -8.384 1.00 0.00 C ATOM 989 O ALA A 68 -7.528 10.706 -7.699 1.00 0.00 O ATOM 990 CB ALA A 68 -8.009 14.023 -7.739 1.00 0.00 C ATOM 0 H ALA A 68 -6.017 14.283 -9.266 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.506 12.822 -6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.825 13.628 -7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.652 14.956 -7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.366 14.208 -8.752 1.00 0.00 H new ATOM 996 N SER A 69 -7.616 11.679 -9.665 1.00 0.00 N ATOM 997 CA SER A 69 -8.111 10.431 -10.313 1.00 0.00 C ATOM 998 C SER A 69 -7.045 9.337 -10.207 1.00 0.00 C ATOM 999 O SER A 69 -7.347 8.187 -9.959 1.00 0.00 O ATOM 1000 CB SER A 69 -8.411 10.709 -11.786 1.00 0.00 C ATOM 1001 OG SER A 69 -9.686 10.174 -12.115 1.00 0.00 O ATOM 0 H SER A 69 -7.499 12.476 -10.291 1.00 0.00 H new ATOM 0 HA SER A 69 -9.020 10.098 -9.811 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.394 11.782 -11.976 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.642 10.262 -12.416 1.00 0.00 H new ATOM 0 HG SER A 69 -10.160 10.797 -12.705 1.00 0.00 H new ATOM 1007 N SER A 70 -5.801 9.684 -10.395 1.00 0.00 N ATOM 1008 CA SER A 70 -4.719 8.663 -10.308 1.00 0.00 C ATOM 1009 C SER A 70 -4.791 7.951 -8.955 1.00 0.00 C ATOM 1010 O SER A 70 -4.725 6.739 -8.877 1.00 0.00 O ATOM 1011 CB SER A 70 -3.359 9.349 -10.449 1.00 0.00 C ATOM 1012 OG SER A 70 -2.440 8.448 -11.052 1.00 0.00 O ATOM 0 H SER A 70 -5.487 10.631 -10.605 1.00 0.00 H new ATOM 0 HA SER A 70 -4.845 7.934 -11.108 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.454 10.250 -11.055 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.992 9.660 -9.471 1.00 0.00 H new ATOM 0 HG SER A 70 -1.819 8.110 -10.373 1.00 0.00 H new ATOM 1018 N SER A 71 -4.918 8.693 -7.890 1.00 0.00 N ATOM 1019 CA SER A 71 -4.987 8.057 -6.543 1.00 0.00 C ATOM 1020 C SER A 71 -6.228 7.166 -6.453 1.00 0.00 C ATOM 1021 O SER A 71 -6.178 6.066 -5.940 1.00 0.00 O ATOM 1022 CB SER A 71 -5.063 9.144 -5.470 1.00 0.00 C ATOM 1023 OG SER A 71 -5.724 10.284 -6.001 1.00 0.00 O ATOM 0 H SER A 71 -4.977 9.711 -7.893 1.00 0.00 H new ATOM 0 HA SER A 71 -4.096 7.449 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.600 8.772 -4.597 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.061 9.413 -5.137 1.00 0.00 H new ATOM 0 HG SER A 71 -6.516 9.999 -6.503 1.00 0.00 H new ATOM 1029 N LEU A 72 -7.344 7.633 -6.945 1.00 0.00 N ATOM 1030 CA LEU A 72 -8.586 6.810 -6.882 1.00 0.00 C ATOM 1031 C LEU A 72 -8.387 5.518 -7.678 1.00 0.00 C ATOM 1032 O LEU A 72 -8.337 4.437 -7.124 1.00 0.00 O ATOM 1033 CB LEU A 72 -9.752 7.599 -7.478 1.00 0.00 C ATOM 1034 CG LEU A 72 -11.063 6.864 -7.196 1.00 0.00 C ATOM 1035 CD1 LEU A 72 -11.774 7.525 -6.015 1.00 0.00 C ATOM 1036 CD2 LEU A 72 -11.962 6.930 -8.433 1.00 0.00 C ATOM 0 H LEU A 72 -7.449 8.546 -7.387 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.805 6.566 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.785 8.600 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.613 7.717 -8.553 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.850 5.822 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.709 7.001 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.135 7.479 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.986 8.567 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.896 6.406 -8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.174 7.972 -8.673 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.456 6.459 -9.276 1.00 0.00 H new ATOM 1048 N ILE A 73 -8.278 5.620 -8.973 1.00 0.00 N ATOM 1049 CA ILE A 73 -8.086 4.399 -9.806 1.00 0.00 C ATOM 1050 C ILE A 73 -6.979 3.530 -9.203 1.00 0.00 C ATOM 1051 O ILE A 73 -7.142 2.341 -9.015 1.00 0.00 O ATOM 1052 CB ILE A 73 -7.694 4.808 -11.227 1.00 0.00 C ATOM 1053 CG1 ILE A 73 -7.535 3.556 -12.092 1.00 0.00 C ATOM 1054 CG2 ILE A 73 -6.370 5.574 -11.194 1.00 0.00 C ATOM 1055 CD1 ILE A 73 -7.406 3.963 -13.561 1.00 0.00 C ATOM 0 H ILE A 73 -8.314 6.497 -9.492 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.016 3.831 -9.832 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.472 5.446 -11.647 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.654 2.995 -11.780 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.394 2.898 -11.960 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.092 5.865 -12.207 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.481 6.466 -10.578 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.592 4.937 -10.773 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.293 3.071 -14.177 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.300 4.505 -13.868 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.533 4.603 -13.686 1.00 0.00 H new ATOM 1067 N THR A 74 -5.853 4.114 -8.901 1.00 0.00 N ATOM 1068 CA THR A 74 -4.734 3.323 -8.316 1.00 0.00 C ATOM 1069 C THR A 74 -5.243 2.503 -7.128 1.00 0.00 C ATOM 1070 O THR A 74 -4.955 1.330 -7.004 1.00 0.00 O ATOM 1071 CB THR A 74 -3.632 4.274 -7.843 1.00 0.00 C ATOM 1072 OG1 THR A 74 -4.222 5.388 -7.186 1.00 0.00 O ATOM 1073 CG2 THR A 74 -2.821 4.758 -9.045 1.00 0.00 C ATOM 0 H THR A 74 -5.659 5.106 -9.034 1.00 0.00 H new ATOM 0 HA THR A 74 -4.336 2.648 -9.074 1.00 0.00 H new ATOM 0 HB THR A 74 -2.972 3.751 -7.151 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.471 6.065 -7.850 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.037 5.435 -8.706 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.370 3.903 -9.548 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.477 5.282 -9.740 1.00 0.00 H new ATOM 1081 N GLU A 75 -5.991 3.112 -6.248 1.00 0.00 N ATOM 1082 CA GLU A 75 -6.508 2.364 -5.067 1.00 0.00 C ATOM 1083 C GLU A 75 -7.723 1.528 -5.475 1.00 0.00 C ATOM 1084 O GLU A 75 -8.249 0.761 -4.692 1.00 0.00 O ATOM 1085 CB GLU A 75 -6.916 3.356 -3.976 1.00 0.00 C ATOM 1086 CG GLU A 75 -5.664 3.883 -3.267 1.00 0.00 C ATOM 1087 CD GLU A 75 -5.718 3.506 -1.785 1.00 0.00 C ATOM 1088 OE1 GLU A 75 -6.812 3.445 -1.249 1.00 0.00 O ATOM 1089 OE2 GLU A 75 -4.665 3.285 -1.211 1.00 0.00 O ATOM 0 H GLU A 75 -6.266 4.093 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.728 1.704 -4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.474 4.184 -4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.576 2.871 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.769 3.464 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.601 4.966 -3.375 1.00 0.00 H new ATOM 1096 N TRP A 76 -8.175 1.667 -6.690 1.00 0.00 N ATOM 1097 CA TRP A 76 -9.355 0.877 -7.139 1.00 0.00 C ATOM 1098 C TRP A 76 -8.882 -0.317 -7.970 1.00 0.00 C ATOM 1099 O TRP A 76 -9.660 -1.167 -8.351 1.00 0.00 O ATOM 1100 CB TRP A 76 -10.273 1.763 -7.987 1.00 0.00 C ATOM 1101 CG TRP A 76 -11.591 1.926 -7.299 1.00 0.00 C ATOM 1102 CD1 TRP A 76 -11.751 2.221 -5.989 1.00 0.00 C ATOM 1103 CD2 TRP A 76 -12.931 1.808 -7.859 1.00 0.00 C ATOM 1104 NE1 TRP A 76 -13.104 2.291 -5.709 1.00 0.00 N ATOM 1105 CE2 TRP A 76 -13.872 2.044 -6.828 1.00 0.00 C ATOM 1106 CE3 TRP A 76 -13.418 1.522 -9.147 1.00 0.00 C ATOM 1107 CZ2 TRP A 76 -15.246 1.998 -7.068 1.00 0.00 C ATOM 1108 CZ3 TRP A 76 -14.799 1.474 -9.391 1.00 0.00 C ATOM 1109 CH2 TRP A 76 -15.712 1.712 -8.354 1.00 0.00 C ATOM 0 H TRP A 76 -7.779 2.293 -7.391 1.00 0.00 H new ATOM 0 HA TRP A 76 -9.905 0.518 -6.269 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.811 2.738 -8.144 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.418 1.317 -8.971 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.953 2.376 -5.278 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -13.487 2.500 -4.787 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -12.724 1.338 -9.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -15.945 2.182 -6.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -15.161 1.252 -10.384 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -16.774 1.674 -8.549 1.00 0.00 H new ATOM 1120 N VAL A 77 -7.610 -0.390 -8.250 1.00 0.00 N ATOM 1121 CA VAL A 77 -7.086 -1.531 -9.054 1.00 0.00 C ATOM 1122 C VAL A 77 -6.273 -2.456 -8.147 1.00 0.00 C ATOM 1123 O VAL A 77 -5.830 -3.512 -8.556 1.00 0.00 O ATOM 1124 CB VAL A 77 -6.189 -0.998 -10.172 1.00 0.00 C ATOM 1125 CG1 VAL A 77 -7.030 -0.187 -11.160 1.00 0.00 C ATOM 1126 CG2 VAL A 77 -5.105 -0.103 -9.569 1.00 0.00 C ATOM 0 H VAL A 77 -6.910 0.291 -7.957 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.918 -2.084 -9.490 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.723 -1.833 -10.695 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.390 0.193 -11.957 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.803 -0.825 -11.589 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.497 0.649 -10.640 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.464 0.278 -10.364 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.572 0.732 -9.047 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.506 -0.681 -8.866 1.00 0.00 H new ATOM 1136 N LYS A 78 -6.071 -2.067 -6.918 1.00 0.00 N ATOM 1137 CA LYS A 78 -5.285 -2.920 -5.984 1.00 0.00 C ATOM 1138 C LYS A 78 -6.182 -4.022 -5.416 1.00 0.00 C ATOM 1139 O LYS A 78 -7.116 -3.759 -4.684 1.00 0.00 O ATOM 1140 CB LYS A 78 -4.751 -2.056 -4.839 1.00 0.00 C ATOM 1141 CG LYS A 78 -3.674 -2.826 -4.073 1.00 0.00 C ATOM 1142 CD LYS A 78 -3.349 -2.087 -2.772 1.00 0.00 C ATOM 1143 CE LYS A 78 -2.452 -0.885 -3.076 1.00 0.00 C ATOM 1144 NZ LYS A 78 -3.062 0.348 -2.502 1.00 0.00 N ATOM 0 H LYS A 78 -6.417 -1.194 -6.520 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.452 -3.374 -6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.337 -1.128 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.564 -1.783 -4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.020 -3.836 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.776 -2.922 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.269 -1.755 -2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.849 -2.760 -2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.459 -1.043 -2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.327 -0.774 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.453 1.165 -2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.000 0.500 -2.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.159 0.240 -1.472 1.00 0.00 H new ATOM 1158 N GLY A 79 -5.904 -5.254 -5.743 1.00 0.00 N ATOM 1159 CA GLY A 79 -6.738 -6.371 -5.218 1.00 0.00 C ATOM 1160 C GLY A 79 -7.785 -6.772 -6.259 1.00 0.00 C ATOM 1161 O GLY A 79 -8.498 -7.742 -6.093 1.00 0.00 O ATOM 0 H GLY A 79 -5.135 -5.535 -6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.106 -7.226 -4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.229 -6.067 -4.294 1.00 0.00 H new ATOM 1165 N LYS A 80 -7.887 -6.035 -7.331 1.00 0.00 N ATOM 1166 CA LYS A 80 -8.892 -6.382 -8.376 1.00 0.00 C ATOM 1167 C LYS A 80 -8.255 -7.305 -9.415 1.00 0.00 C ATOM 1168 O LYS A 80 -7.051 -7.450 -9.478 1.00 0.00 O ATOM 1169 CB LYS A 80 -9.380 -5.104 -9.060 1.00 0.00 C ATOM 1170 CG LYS A 80 -10.352 -4.370 -8.133 1.00 0.00 C ATOM 1171 CD LYS A 80 -11.790 -4.646 -8.577 1.00 0.00 C ATOM 1172 CE LYS A 80 -12.750 -3.772 -7.768 1.00 0.00 C ATOM 1173 NZ LYS A 80 -14.135 -4.306 -7.897 1.00 0.00 N ATOM 0 H LYS A 80 -7.320 -5.210 -7.528 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.736 -6.890 -7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.533 -4.461 -9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.872 -5.348 -10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.209 -4.700 -7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.153 -3.299 -8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.900 -4.437 -9.641 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.031 -5.699 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.450 -3.757 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.711 -2.743 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.789 -3.712 -7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.418 -4.298 -8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.166 -5.281 -7.536 1.00 0.00 H new ATOM 1187 N SER A 81 -9.056 -7.935 -10.231 1.00 0.00 N ATOM 1188 CA SER A 81 -8.498 -8.850 -11.266 1.00 0.00 C ATOM 1189 C SER A 81 -8.468 -8.136 -12.617 1.00 0.00 C ATOM 1190 O SER A 81 -9.065 -7.092 -12.793 1.00 0.00 O ATOM 1191 CB SER A 81 -9.376 -10.099 -11.368 1.00 0.00 C ATOM 1192 OG SER A 81 -9.113 -10.951 -10.261 1.00 0.00 O ATOM 0 H SER A 81 -10.073 -7.855 -10.225 1.00 0.00 H new ATOM 0 HA SER A 81 -7.485 -9.139 -10.987 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.429 -9.817 -11.382 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.174 -10.624 -12.302 1.00 0.00 H new ATOM 0 HG SER A 81 -9.676 -11.751 -10.323 1.00 0.00 H new ATOM 1198 N LEU A 82 -7.775 -8.690 -13.575 1.00 0.00 N ATOM 1199 CA LEU A 82 -7.707 -8.042 -14.915 1.00 0.00 C ATOM 1200 C LEU A 82 -9.107 -7.988 -15.530 1.00 0.00 C ATOM 1201 O LEU A 82 -9.390 -7.170 -16.381 1.00 0.00 O ATOM 1202 CB LEU A 82 -6.782 -8.852 -15.826 1.00 0.00 C ATOM 1203 CG LEU A 82 -5.350 -8.327 -15.701 1.00 0.00 C ATOM 1204 CD1 LEU A 82 -4.372 -9.504 -15.697 1.00 0.00 C ATOM 1205 CD2 LEU A 82 -5.039 -7.413 -16.889 1.00 0.00 C ATOM 0 H LEU A 82 -7.254 -9.562 -13.487 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.319 -7.029 -14.808 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.819 -9.907 -15.553 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.118 -8.779 -16.860 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.248 -7.767 -14.771 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.352 -9.129 -15.608 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.593 -10.158 -14.854 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.473 -10.064 -16.627 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.019 -7.038 -16.802 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.141 -7.975 -17.817 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.735 -6.574 -16.895 1.00 0.00 H new ATOM 1217 N GLU A 83 -9.985 -8.855 -15.105 1.00 0.00 N ATOM 1218 CA GLU A 83 -11.367 -8.853 -15.665 1.00 0.00 C ATOM 1219 C GLU A 83 -12.021 -7.495 -15.406 1.00 0.00 C ATOM 1220 O GLU A 83 -12.641 -6.918 -16.277 1.00 0.00 O ATOM 1221 CB GLU A 83 -12.189 -9.953 -14.992 1.00 0.00 C ATOM 1222 CG GLU A 83 -13.545 -10.081 -15.691 1.00 0.00 C ATOM 1223 CD GLU A 83 -14.647 -10.237 -14.641 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -14.928 -11.364 -14.270 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -15.191 -9.227 -14.227 1.00 0.00 O ATOM 0 H GLU A 83 -9.806 -9.565 -14.395 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.325 -9.035 -16.739 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.654 -10.901 -15.039 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.333 -9.720 -13.937 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.735 -9.200 -16.305 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.541 -10.941 -16.361 1.00 0.00 H new ATOM 1232 N GLU A 84 -11.885 -6.977 -14.216 1.00 0.00 N ATOM 1233 CA GLU A 84 -12.497 -5.655 -13.905 1.00 0.00 C ATOM 1234 C GLU A 84 -11.631 -4.542 -14.499 1.00 0.00 C ATOM 1235 O GLU A 84 -12.082 -3.759 -15.311 1.00 0.00 O ATOM 1236 CB GLU A 84 -12.589 -5.476 -12.387 1.00 0.00 C ATOM 1237 CG GLU A 84 -13.269 -6.699 -11.768 1.00 0.00 C ATOM 1238 CD GLU A 84 -14.787 -6.549 -11.877 1.00 0.00 C ATOM 1239 OE1 GLU A 84 -15.315 -5.618 -11.289 1.00 0.00 O ATOM 1240 OE2 GLU A 84 -15.397 -7.366 -12.546 1.00 0.00 O ATOM 0 H GLU A 84 -11.377 -7.412 -13.446 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.497 -5.608 -14.335 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.592 -5.348 -11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.154 -4.574 -12.150 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.945 -7.606 -12.279 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.977 -6.800 -10.723 1.00 0.00 H new ATOM 1247 N ALA A 85 -10.389 -4.467 -14.104 1.00 0.00 N ATOM 1248 CA ALA A 85 -9.497 -3.407 -14.651 1.00 0.00 C ATOM 1249 C ALA A 85 -9.677 -3.329 -16.167 1.00 0.00 C ATOM 1250 O ALA A 85 -9.459 -2.301 -16.777 1.00 0.00 O ATOM 1251 CB ALA A 85 -8.040 -3.747 -14.324 1.00 0.00 C ATOM 0 H ALA A 85 -9.954 -5.094 -13.427 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.752 -2.446 -14.204 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.387 -2.972 -14.724 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.914 -3.805 -13.243 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.781 -4.706 -14.772 1.00 0.00 H new ATOM 1257 N GLY A 86 -10.077 -4.410 -16.780 1.00 0.00 N ATOM 1258 CA GLY A 86 -10.272 -4.400 -18.257 1.00 0.00 C ATOM 1259 C GLY A 86 -11.760 -4.244 -18.574 1.00 0.00 C ATOM 1260 O GLY A 86 -12.297 -4.921 -19.429 1.00 0.00 O ATOM 0 H GLY A 86 -10.277 -5.299 -16.322 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.706 -3.582 -18.704 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.892 -5.325 -18.691 1.00 0.00 H new ATOM 1264 N ALA A 87 -12.431 -3.356 -17.893 1.00 0.00 N ATOM 1265 CA ALA A 87 -13.883 -3.156 -18.157 1.00 0.00 C ATOM 1266 C ALA A 87 -14.314 -1.807 -17.584 1.00 0.00 C ATOM 1267 O ALA A 87 -15.124 -1.107 -18.157 1.00 0.00 O ATOM 1268 CB ALA A 87 -14.682 -4.274 -17.486 1.00 0.00 C ATOM 0 H ALA A 87 -12.036 -2.760 -17.165 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.068 -3.175 -19.231 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -15.745 -4.128 -17.679 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.369 -5.237 -17.889 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.502 -4.255 -16.411 1.00 0.00 H new ATOM 1274 N ILE A 88 -13.773 -1.436 -16.457 1.00 0.00 N ATOM 1275 CA ILE A 88 -14.144 -0.132 -15.845 1.00 0.00 C ATOM 1276 C ILE A 88 -14.236 0.934 -16.940 1.00 0.00 C ATOM 1277 O ILE A 88 -13.840 0.714 -18.068 1.00 0.00 O ATOM 1278 CB ILE A 88 -13.075 0.272 -14.826 1.00 0.00 C ATOM 1279 CG1 ILE A 88 -11.686 0.018 -15.418 1.00 0.00 C ATOM 1280 CG2 ILE A 88 -13.237 -0.553 -13.546 1.00 0.00 C ATOM 1281 CD1 ILE A 88 -10.622 0.243 -14.343 1.00 0.00 C ATOM 0 H ILE A 88 -13.089 -1.982 -15.933 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.108 -0.223 -15.344 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.188 1.330 -14.590 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.623 -1.001 -15.799 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.512 0.685 -16.262 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.473 -0.260 -12.825 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.225 -0.375 -13.121 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.129 -1.612 -13.780 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.634 0.062 -14.766 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.680 1.270 -13.983 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.793 -0.442 -13.513 1.00 0.00 H new ATOM 1293 N LYS A 89 -14.756 2.087 -16.617 1.00 0.00 N ATOM 1294 CA LYS A 89 -14.872 3.165 -17.641 1.00 0.00 C ATOM 1295 C LYS A 89 -14.454 4.500 -17.024 1.00 0.00 C ATOM 1296 O LYS A 89 -14.536 4.695 -15.827 1.00 0.00 O ATOM 1297 CB LYS A 89 -16.321 3.255 -18.124 1.00 0.00 C ATOM 1298 CG LYS A 89 -16.759 1.901 -18.686 1.00 0.00 C ATOM 1299 CD LYS A 89 -17.967 2.095 -19.607 1.00 0.00 C ATOM 1300 CE LYS A 89 -18.784 0.804 -19.657 1.00 0.00 C ATOM 1301 NZ LYS A 89 -19.799 0.815 -18.566 1.00 0.00 N ATOM 0 H LYS A 89 -15.105 2.329 -15.690 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.222 2.937 -18.486 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.972 3.546 -17.300 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.413 4.025 -18.890 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.938 1.442 -19.237 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.015 1.223 -17.872 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.586 2.916 -19.244 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.634 2.366 -20.609 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.276 0.710 -20.625 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.127 -0.059 -19.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.355 -0.063 -18.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.319 0.886 -17.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.432 1.631 -18.689 1.00 0.00 H new ATOM 1315 N ASN A 90 -14.005 5.423 -17.830 1.00 0.00 N ATOM 1316 CA ASN A 90 -13.580 6.745 -17.288 1.00 0.00 C ATOM 1317 C ASN A 90 -14.816 7.558 -16.895 1.00 0.00 C ATOM 1318 O ASN A 90 -14.905 8.075 -15.799 1.00 0.00 O ATOM 1319 CB ASN A 90 -12.790 7.503 -18.357 1.00 0.00 C ATOM 1320 CG ASN A 90 -13.660 7.687 -19.601 1.00 0.00 C ATOM 1321 OD1 ASN A 90 -14.230 6.739 -20.105 1.00 0.00 O ATOM 1322 ND2 ASN A 90 -13.789 8.875 -20.122 1.00 0.00 N ATOM 0 H ASN A 90 -13.914 5.319 -18.841 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.952 6.593 -16.410 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -12.477 8.474 -17.973 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -11.884 6.954 -18.612 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -14.368 9.008 -20.951 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.311 9.671 -19.700 1.00 0.00 H new ATOM 1329 N SER A 91 -15.768 7.676 -17.780 1.00 0.00 N ATOM 1330 CA SER A 91 -16.995 8.459 -17.457 1.00 0.00 C ATOM 1331 C SER A 91 -17.342 8.279 -15.979 1.00 0.00 C ATOM 1332 O SER A 91 -17.633 9.229 -15.280 1.00 0.00 O ATOM 1333 CB SER A 91 -18.158 7.963 -18.316 1.00 0.00 C ATOM 1334 OG SER A 91 -19.153 8.977 -18.389 1.00 0.00 O ATOM 0 H SER A 91 -15.749 7.264 -18.713 1.00 0.00 H new ATOM 0 HA SER A 91 -16.815 9.514 -17.662 1.00 0.00 H new ATOM 0 HB2 SER A 91 -17.805 7.711 -19.316 1.00 0.00 H new ATOM 0 HB3 SER A 91 -18.580 7.054 -17.888 1.00 0.00 H new ATOM 0 HG SER A 91 -19.900 8.663 -18.941 1.00 0.00 H new ATOM 1340 N GLN A 92 -17.316 7.068 -15.496 1.00 0.00 N ATOM 1341 CA GLN A 92 -17.645 6.829 -14.063 1.00 0.00 C ATOM 1342 C GLN A 92 -16.618 7.541 -13.181 1.00 0.00 C ATOM 1343 O GLN A 92 -16.964 8.263 -12.268 1.00 0.00 O ATOM 1344 CB GLN A 92 -17.615 5.328 -13.775 1.00 0.00 C ATOM 1345 CG GLN A 92 -18.782 4.648 -14.493 1.00 0.00 C ATOM 1346 CD GLN A 92 -19.069 3.298 -13.833 1.00 0.00 C ATOM 1347 OE1 GLN A 92 -20.130 3.094 -13.279 1.00 0.00 O ATOM 1348 NE2 GLN A 92 -18.162 2.361 -13.870 1.00 0.00 N ATOM 0 H GLN A 92 -17.081 6.233 -16.032 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.640 7.218 -13.848 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -16.670 4.901 -14.110 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -17.682 5.151 -12.701 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -19.668 5.281 -14.450 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.542 4.506 -15.547 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -17.271 2.532 -14.335 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -18.344 1.457 -13.434 1.00 0.00 H new ATOM 1357 N ILE A 93 -15.357 7.344 -13.448 1.00 0.00 N ATOM 1358 CA ILE A 93 -14.309 8.011 -12.626 1.00 0.00 C ATOM 1359 C ILE A 93 -14.545 9.523 -12.639 1.00 0.00 C ATOM 1360 O ILE A 93 -14.321 10.204 -11.659 1.00 0.00 O ATOM 1361 CB ILE A 93 -12.930 7.699 -13.211 1.00 0.00 C ATOM 1362 CG1 ILE A 93 -12.419 6.379 -12.628 1.00 0.00 C ATOM 1363 CG2 ILE A 93 -11.953 8.822 -12.858 1.00 0.00 C ATOM 1364 CD1 ILE A 93 -11.450 5.725 -13.615 1.00 0.00 C ATOM 0 H ILE A 93 -15.007 6.750 -14.200 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.356 7.645 -11.600 1.00 0.00 H new ATOM 0 HB ILE A 93 -13.008 7.616 -14.295 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -11.919 6.559 -11.676 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.256 5.710 -12.427 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -10.972 8.596 -13.276 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -12.316 9.763 -13.271 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -11.874 8.908 -11.774 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -11.086 4.785 -13.199 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -11.965 5.531 -14.556 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -10.607 6.393 -13.794 1.00 0.00 H new ATOM 1376 N ALA A 94 -14.998 10.053 -13.743 1.00 0.00 N ATOM 1377 CA ALA A 94 -15.250 11.520 -13.817 1.00 0.00 C ATOM 1378 C ALA A 94 -16.502 11.860 -13.006 1.00 0.00 C ATOM 1379 O ALA A 94 -16.673 12.973 -12.548 1.00 0.00 O ATOM 1380 CB ALA A 94 -15.461 11.930 -15.275 1.00 0.00 C ATOM 0 H ALA A 94 -15.204 9.533 -14.596 1.00 0.00 H new ATOM 0 HA ALA A 94 -14.393 12.058 -13.410 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.645 13.003 -15.328 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -14.571 11.686 -15.854 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.318 11.394 -15.683 1.00 0.00 H new ATOM 1386 N GLU A 95 -17.377 10.910 -12.823 1.00 0.00 N ATOM 1387 CA GLU A 95 -18.618 11.179 -12.042 1.00 0.00 C ATOM 1388 C GLU A 95 -18.308 11.083 -10.547 1.00 0.00 C ATOM 1389 O GLU A 95 -18.680 11.940 -9.770 1.00 0.00 O ATOM 1390 CB GLU A 95 -19.685 10.147 -12.410 1.00 0.00 C ATOM 1391 CG GLU A 95 -21.042 10.598 -11.870 1.00 0.00 C ATOM 1392 CD GLU A 95 -21.804 11.346 -12.967 1.00 0.00 C ATOM 1393 OE1 GLU A 95 -22.124 10.725 -13.966 1.00 0.00 O ATOM 1394 OE2 GLU A 95 -22.052 12.528 -12.788 1.00 0.00 O ATOM 0 H GLU A 95 -17.287 9.959 -13.180 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.985 12.179 -12.274 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -19.734 10.030 -13.493 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -19.422 9.174 -11.995 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -21.618 9.735 -11.536 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -20.904 11.244 -11.003 1.00 0.00 H new ATOM 1401 N GLU A 96 -17.629 10.047 -10.138 1.00 0.00 N ATOM 1402 CA GLU A 96 -17.296 9.898 -8.693 1.00 0.00 C ATOM 1403 C GLU A 96 -16.410 11.066 -8.255 1.00 0.00 C ATOM 1404 O GLU A 96 -16.430 11.477 -7.113 1.00 0.00 O ATOM 1405 CB GLU A 96 -16.548 8.581 -8.477 1.00 0.00 C ATOM 1406 CG GLU A 96 -16.736 8.117 -7.031 1.00 0.00 C ATOM 1407 CD GLU A 96 -15.598 7.168 -6.649 1.00 0.00 C ATOM 1408 OE1 GLU A 96 -14.916 6.702 -7.546 1.00 0.00 O ATOM 1409 OE2 GLU A 96 -15.430 6.923 -5.466 1.00 0.00 O ATOM 0 H GLU A 96 -17.290 9.297 -10.741 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.213 9.895 -8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.921 7.822 -9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.488 8.713 -8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -16.748 8.976 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.696 7.613 -6.921 1.00 0.00 H new ATOM 1416 N LEU A 97 -15.635 11.601 -9.156 1.00 0.00 N ATOM 1417 CA LEU A 97 -14.748 12.741 -8.792 1.00 0.00 C ATOM 1418 C LEU A 97 -15.414 14.056 -9.205 1.00 0.00 C ATOM 1419 O LEU A 97 -15.194 15.090 -8.605 1.00 0.00 O ATOM 1420 CB LEU A 97 -13.408 12.595 -9.519 1.00 0.00 C ATOM 1421 CG LEU A 97 -12.294 12.362 -8.498 1.00 0.00 C ATOM 1422 CD1 LEU A 97 -12.527 11.032 -7.781 1.00 0.00 C ATOM 1423 CD2 LEU A 97 -10.945 12.323 -9.221 1.00 0.00 C ATOM 0 H LEU A 97 -15.577 11.299 -10.128 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.579 12.743 -7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.452 11.762 -10.221 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.199 13.492 -10.102 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.294 13.171 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.732 10.867 -7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.489 11.059 -7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -12.526 10.221 -8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.148 12.157 -8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.946 11.513 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.779 13.271 -9.732 1.00 0.00 H new ATOM 1435 N GLU A 98 -16.226 14.027 -10.226 1.00 0.00 N ATOM 1436 CA GLU A 98 -16.901 15.276 -10.675 1.00 0.00 C ATOM 1437 C GLU A 98 -15.849 16.264 -11.181 1.00 0.00 C ATOM 1438 O GLU A 98 -16.166 17.338 -11.652 1.00 0.00 O ATOM 1439 CB GLU A 98 -17.663 15.893 -9.500 1.00 0.00 C ATOM 1440 CG GLU A 98 -19.105 16.180 -9.920 1.00 0.00 C ATOM 1441 CD GLU A 98 -19.753 17.129 -8.910 1.00 0.00 C ATOM 1442 OE1 GLU A 98 -20.019 16.693 -7.802 1.00 0.00 O ATOM 1443 OE2 GLU A 98 -19.969 18.277 -9.261 1.00 0.00 O ATOM 0 H GLU A 98 -16.451 13.193 -10.768 1.00 0.00 H new ATOM 0 HA GLU A 98 -17.601 15.047 -11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -17.650 15.214 -8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -17.176 16.814 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.123 16.624 -10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -19.671 15.250 -9.975 1.00 0.00 H new ATOM 1450 N LEU A 99 -14.597 15.905 -11.088 1.00 0.00 N ATOM 1451 CA LEU A 99 -13.519 16.815 -11.564 1.00 0.00 C ATOM 1452 C LEU A 99 -14.009 17.589 -12.791 1.00 0.00 C ATOM 1453 O LEU A 99 -14.821 17.105 -13.554 1.00 0.00 O ATOM 1454 CB LEU A 99 -12.290 15.989 -11.945 1.00 0.00 C ATOM 1455 CG LEU A 99 -12.623 15.109 -13.151 1.00 0.00 C ATOM 1456 CD1 LEU A 99 -11.949 15.675 -14.402 1.00 0.00 C ATOM 1457 CD2 LEU A 99 -12.116 13.687 -12.899 1.00 0.00 C ATOM 0 H LEU A 99 -14.275 15.018 -10.702 1.00 0.00 H new ATOM 0 HA LEU A 99 -13.258 17.516 -10.771 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -11.454 16.648 -12.181 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -11.979 15.370 -11.104 1.00 0.00 H new ATOM 0 HG LEU A 99 -13.703 15.091 -13.299 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -12.188 15.046 -15.260 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.309 16.688 -14.583 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -10.869 15.695 -14.256 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.353 13.059 -13.758 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -11.036 13.707 -12.750 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -12.597 13.281 -12.009 1.00 0.00 H new ATOM 1469 N PRO A 100 -13.511 18.780 -12.979 1.00 0.00 N ATOM 1470 CA PRO A 100 -13.892 19.642 -14.131 1.00 0.00 C ATOM 1471 C PRO A 100 -14.029 18.839 -15.433 1.00 0.00 C ATOM 1472 O PRO A 100 -13.050 18.387 -15.991 1.00 0.00 O ATOM 1473 CB PRO A 100 -12.726 20.623 -14.229 1.00 0.00 C ATOM 1474 CG PRO A 100 -12.198 20.752 -12.836 1.00 0.00 C ATOM 1475 CD PRO A 100 -12.526 19.442 -12.109 1.00 0.00 C ATOM 0 HA PRO A 100 -14.861 20.120 -13.987 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.957 20.253 -14.908 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -13.055 21.588 -14.615 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -11.122 20.929 -12.846 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.656 21.600 -12.327 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.636 18.827 -11.976 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -12.935 19.630 -11.116 1.00 0.00 H new ATOM 1483 N PRO A 101 -15.235 18.660 -15.911 1.00 0.00 N ATOM 1484 CA PRO A 101 -15.495 17.898 -17.163 1.00 0.00 C ATOM 1485 C PRO A 101 -15.219 18.728 -18.421 1.00 0.00 C ATOM 1486 O PRO A 101 -15.523 18.321 -19.524 1.00 0.00 O ATOM 1487 CB PRO A 101 -16.981 17.551 -17.066 1.00 0.00 C ATOM 1488 CG PRO A 101 -17.586 18.637 -16.239 1.00 0.00 C ATOM 1489 CD PRO A 101 -16.483 19.164 -15.314 1.00 0.00 C ATOM 0 HA PRO A 101 -14.845 17.027 -17.251 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -17.440 17.507 -18.054 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -17.128 16.575 -16.602 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -17.971 19.435 -16.873 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -18.427 18.257 -15.659 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -16.490 20.253 -15.267 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -16.611 18.800 -14.295 1.00 0.00 H new ATOM 1497 N VAL A 102 -14.646 19.890 -18.264 1.00 0.00 N ATOM 1498 CA VAL A 102 -14.354 20.740 -19.452 1.00 0.00 C ATOM 1499 C VAL A 102 -13.481 19.963 -20.437 1.00 0.00 C ATOM 1500 O VAL A 102 -13.335 20.339 -21.583 1.00 0.00 O ATOM 1501 CB VAL A 102 -13.621 22.006 -19.008 1.00 0.00 C ATOM 1502 CG1 VAL A 102 -14.630 23.012 -18.451 1.00 0.00 C ATOM 1503 CG2 VAL A 102 -12.603 21.653 -17.921 1.00 0.00 C ATOM 0 H VAL A 102 -14.368 20.287 -17.366 1.00 0.00 H new ATOM 0 HA VAL A 102 -15.290 21.015 -19.938 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.104 22.443 -19.862 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -14.107 23.915 -18.134 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.356 23.265 -19.224 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.147 22.574 -17.597 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.081 22.556 -17.605 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.120 21.215 -17.067 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -11.883 20.937 -18.316 1.00 0.00 H new ATOM 1513 N LYS A 103 -12.895 18.879 -20.002 1.00 0.00 N ATOM 1514 CA LYS A 103 -12.031 18.083 -20.918 1.00 0.00 C ATOM 1515 C LYS A 103 -12.015 16.620 -20.466 1.00 0.00 C ATOM 1516 O LYS A 103 -12.028 15.712 -21.274 1.00 0.00 O ATOM 1517 CB LYS A 103 -10.606 18.640 -20.887 1.00 0.00 C ATOM 1518 CG LYS A 103 -10.485 19.792 -21.888 1.00 0.00 C ATOM 1519 CD LYS A 103 -9.006 20.097 -22.137 1.00 0.00 C ATOM 1520 CE LYS A 103 -8.883 21.170 -23.222 1.00 0.00 C ATOM 1521 NZ LYS A 103 -8.961 20.531 -24.566 1.00 0.00 N ATOM 0 H LYS A 103 -12.978 18.512 -19.054 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.425 18.145 -21.932 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -10.363 18.989 -19.884 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.892 17.854 -21.133 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -10.976 19.527 -22.825 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -10.990 20.678 -21.503 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.534 20.440 -21.216 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.484 19.191 -22.445 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.679 21.907 -23.111 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.938 21.703 -23.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.877 21.260 -25.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.187 19.844 -24.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.873 20.042 -24.665 1.00 0.00 H new ATOM 1535 N VAL A 104 -11.987 16.385 -19.184 1.00 0.00 N ATOM 1536 CA VAL A 104 -11.970 14.981 -18.681 1.00 0.00 C ATOM 1537 C VAL A 104 -10.668 14.302 -19.115 1.00 0.00 C ATOM 1538 O VAL A 104 -10.475 13.120 -18.910 1.00 0.00 O ATOM 1539 CB VAL A 104 -13.163 14.207 -19.254 1.00 0.00 C ATOM 1540 CG1 VAL A 104 -13.343 12.902 -18.478 1.00 0.00 C ATOM 1541 CG2 VAL A 104 -14.440 15.047 -19.129 1.00 0.00 C ATOM 0 H VAL A 104 -11.975 17.105 -18.461 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.037 14.989 -17.593 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.975 13.990 -20.305 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.191 12.351 -18.885 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.440 12.298 -18.568 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.526 13.126 -17.427 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.283 14.490 -19.538 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.628 15.270 -18.079 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.318 15.979 -19.681 1.00 0.00 H new ATOM 1551 N HIS A 105 -9.775 15.040 -19.714 1.00 0.00 N ATOM 1552 CA HIS A 105 -8.487 14.438 -20.163 1.00 0.00 C ATOM 1553 C HIS A 105 -7.912 13.561 -19.047 1.00 0.00 C ATOM 1554 O HIS A 105 -7.098 12.692 -19.287 1.00 0.00 O ATOM 1555 CB HIS A 105 -7.494 15.554 -20.499 1.00 0.00 C ATOM 1556 CG HIS A 105 -7.335 16.459 -19.309 1.00 0.00 C ATOM 1557 ND1 HIS A 105 -8.424 17.024 -18.658 1.00 0.00 N ATOM 1558 CD2 HIS A 105 -6.223 16.909 -18.640 1.00 0.00 C ATOM 1559 CE1 HIS A 105 -7.947 17.774 -17.647 1.00 0.00 C ATOM 1560 NE2 HIS A 105 -6.615 17.736 -17.594 1.00 0.00 N ATOM 0 H HIS A 105 -9.881 16.035 -19.912 1.00 0.00 H new ATOM 0 HA HIS A 105 -8.662 13.826 -21.048 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -6.530 15.127 -20.776 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -7.848 16.124 -21.358 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -5.202 16.659 -18.888 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -8.566 18.337 -16.964 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -6.010 18.214 -16.926 1.00 0.00 H new ATOM 1568 N CYS A 106 -8.325 13.783 -17.830 1.00 0.00 N ATOM 1569 CA CYS A 106 -7.799 12.961 -16.704 1.00 0.00 C ATOM 1570 C CYS A 106 -8.448 11.574 -16.734 1.00 0.00 C ATOM 1571 O CYS A 106 -7.836 10.602 -17.132 1.00 0.00 O ATOM 1572 CB CYS A 106 -8.121 13.648 -15.374 1.00 0.00 C ATOM 1573 SG CYS A 106 -8.120 15.443 -15.606 1.00 0.00 S ATOM 0 H CYS A 106 -9.004 14.498 -17.566 1.00 0.00 H new ATOM 0 HA CYS A 106 -6.719 12.857 -16.806 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.094 13.318 -15.008 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -7.385 13.368 -14.620 1.00 0.00 H new ATOM 0 HG CYS A 106 -8.395 16.027 -14.477 1.00 0.00 H new ATOM 1579 N SER A 107 -9.682 11.474 -16.319 1.00 0.00 N ATOM 1580 CA SER A 107 -10.364 10.149 -16.328 1.00 0.00 C ATOM 1581 C SER A 107 -10.049 9.427 -17.638 1.00 0.00 C ATOM 1582 O SER A 107 -9.843 8.228 -17.666 1.00 0.00 O ATOM 1583 CB SER A 107 -11.874 10.354 -16.211 1.00 0.00 C ATOM 1584 OG SER A 107 -12.139 11.325 -15.207 1.00 0.00 O ATOM 0 H SER A 107 -10.246 12.251 -15.975 1.00 0.00 H new ATOM 0 HA SER A 107 -10.012 9.551 -15.487 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.283 10.681 -17.167 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.362 9.412 -15.961 1.00 0.00 H new ATOM 0 HG SER A 107 -11.437 11.290 -14.525 1.00 0.00 H new ATOM 1590 N ILE A 108 -10.006 10.148 -18.724 1.00 0.00 N ATOM 1591 CA ILE A 108 -9.700 9.506 -20.032 1.00 0.00 C ATOM 1592 C ILE A 108 -8.343 8.808 -19.946 1.00 0.00 C ATOM 1593 O ILE A 108 -8.214 7.639 -20.252 1.00 0.00 O ATOM 1594 CB ILE A 108 -9.657 10.574 -21.125 1.00 0.00 C ATOM 1595 CG1 ILE A 108 -11.079 10.855 -21.617 1.00 0.00 C ATOM 1596 CG2 ILE A 108 -8.804 10.077 -22.293 1.00 0.00 C ATOM 1597 CD1 ILE A 108 -11.120 12.218 -22.308 1.00 0.00 C ATOM 0 H ILE A 108 -10.170 11.154 -18.762 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.472 8.775 -20.271 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.222 11.489 -20.722 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.396 10.075 -22.309 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.775 10.840 -20.778 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.774 10.839 -23.072 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.791 9.875 -21.944 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.238 9.162 -22.697 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -12.133 12.418 -22.658 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.820 12.993 -21.602 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.436 12.216 -23.157 1.00 0.00 H new ATOM 1609 N LEU A 109 -7.329 9.515 -19.526 1.00 0.00 N ATOM 1610 CA LEU A 109 -5.981 8.894 -19.416 1.00 0.00 C ATOM 1611 C LEU A 109 -6.046 7.707 -18.454 1.00 0.00 C ATOM 1612 O LEU A 109 -5.229 6.809 -18.503 1.00 0.00 O ATOM 1613 CB LEU A 109 -4.985 9.927 -18.884 1.00 0.00 C ATOM 1614 CG LEU A 109 -4.155 10.479 -20.043 1.00 0.00 C ATOM 1615 CD1 LEU A 109 -5.086 10.987 -21.145 1.00 0.00 C ATOM 1616 CD2 LEU A 109 -3.286 11.635 -19.540 1.00 0.00 C ATOM 0 H LEU A 109 -7.378 10.497 -19.254 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.657 8.550 -20.398 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.517 10.737 -18.385 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.332 9.469 -18.141 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.519 9.689 -20.442 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.492 11.380 -21.970 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.707 10.166 -21.504 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.723 11.777 -20.748 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.693 12.030 -20.365 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.924 12.423 -19.142 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.621 11.275 -18.755 1.00 0.00 H new ATOM 1628 N ALA A 110 -7.012 7.696 -17.576 1.00 0.00 N ATOM 1629 CA ALA A 110 -7.131 6.569 -16.609 1.00 0.00 C ATOM 1630 C ALA A 110 -7.482 5.284 -17.361 1.00 0.00 C ATOM 1631 O ALA A 110 -6.709 4.348 -17.407 1.00 0.00 O ATOM 1632 CB ALA A 110 -8.231 6.882 -15.592 1.00 0.00 C ATOM 0 H ALA A 110 -7.725 8.420 -17.487 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.182 6.437 -16.089 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.318 6.057 -14.885 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.980 7.796 -15.054 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.180 7.016 -16.112 1.00 0.00 H new ATOM 1638 N GLU A 111 -8.645 5.230 -17.951 1.00 0.00 N ATOM 1639 CA GLU A 111 -9.046 4.005 -18.698 1.00 0.00 C ATOM 1640 C GLU A 111 -8.048 3.746 -19.830 1.00 0.00 C ATOM 1641 O GLU A 111 -7.676 2.621 -20.095 1.00 0.00 O ATOM 1642 CB GLU A 111 -10.446 4.201 -19.285 1.00 0.00 C ATOM 1643 CG GLU A 111 -10.731 3.100 -20.308 1.00 0.00 C ATOM 1644 CD GLU A 111 -10.548 1.732 -19.650 1.00 0.00 C ATOM 1645 OE1 GLU A 111 -9.421 1.266 -19.600 1.00 0.00 O ATOM 1646 OE2 GLU A 111 -11.538 1.172 -19.208 1.00 0.00 O ATOM 0 H GLU A 111 -9.335 5.982 -17.948 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.053 3.152 -18.019 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.192 4.175 -18.490 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.519 5.180 -19.759 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.747 3.198 -20.690 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.059 3.198 -21.160 1.00 0.00 H new ATOM 1653 N ASP A 112 -7.610 4.779 -20.497 1.00 0.00 N ATOM 1654 CA ASP A 112 -6.634 4.587 -21.607 1.00 0.00 C ATOM 1655 C ASP A 112 -5.335 4.011 -21.040 1.00 0.00 C ATOM 1656 O ASP A 112 -4.601 3.322 -21.719 1.00 0.00 O ATOM 1657 CB ASP A 112 -6.349 5.934 -22.277 1.00 0.00 C ATOM 1658 CG ASP A 112 -6.795 5.884 -23.740 1.00 0.00 C ATOM 1659 OD1 ASP A 112 -7.910 5.457 -23.984 1.00 0.00 O ATOM 1660 OD2 ASP A 112 -6.013 6.275 -24.590 1.00 0.00 O ATOM 0 H ASP A 112 -7.885 5.745 -20.322 1.00 0.00 H new ATOM 0 HA ASP A 112 -7.048 3.899 -22.344 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -6.876 6.731 -21.753 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.285 6.163 -22.218 1.00 0.00 H new ATOM 1665 N ALA A 113 -5.047 4.290 -19.797 1.00 0.00 N ATOM 1666 CA ALA A 113 -3.796 3.759 -19.184 1.00 0.00 C ATOM 1667 C ALA A 113 -3.958 2.261 -18.918 1.00 0.00 C ATOM 1668 O ALA A 113 -3.286 1.441 -19.512 1.00 0.00 O ATOM 1669 CB ALA A 113 -3.526 4.484 -17.865 1.00 0.00 C ATOM 0 H ALA A 113 -5.624 4.862 -19.180 1.00 0.00 H new ATOM 0 HA ALA A 113 -2.960 3.921 -19.864 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.611 4.096 -17.417 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.413 5.552 -18.053 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.361 4.322 -17.183 1.00 0.00 H new ATOM 1675 N ILE A 114 -4.845 1.898 -18.033 1.00 0.00 N ATOM 1676 CA ILE A 114 -5.048 0.453 -17.733 1.00 0.00 C ATOM 1677 C ILE A 114 -5.057 -0.337 -19.044 1.00 0.00 C ATOM 1678 O ILE A 114 -4.623 -1.471 -19.101 1.00 0.00 O ATOM 1679 CB ILE A 114 -6.386 0.266 -17.009 1.00 0.00 C ATOM 1680 CG1 ILE A 114 -6.308 -0.963 -16.099 1.00 0.00 C ATOM 1681 CG2 ILE A 114 -7.506 0.071 -18.033 1.00 0.00 C ATOM 1682 CD1 ILE A 114 -5.684 -0.567 -14.761 1.00 0.00 C ATOM 0 H ILE A 114 -5.437 2.539 -17.505 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.240 0.092 -17.096 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.596 1.152 -16.409 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.305 -1.375 -15.940 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.713 -1.743 -16.574 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.455 -0.062 -17.513 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.565 0.947 -18.679 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.297 -0.812 -18.637 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -5.628 -1.441 -14.113 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.681 -0.175 -14.929 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -6.297 0.198 -14.286 1.00 0.00 H new ATOM 1694 N LYS A 115 -5.548 0.256 -20.098 1.00 0.00 N ATOM 1695 CA LYS A 115 -5.584 -0.456 -21.405 1.00 0.00 C ATOM 1696 C LYS A 115 -4.155 -0.661 -21.912 1.00 0.00 C ATOM 1697 O LYS A 115 -3.629 -1.755 -21.889 1.00 0.00 O ATOM 1698 CB LYS A 115 -6.372 0.379 -22.418 1.00 0.00 C ATOM 1699 CG LYS A 115 -7.451 -0.489 -23.069 1.00 0.00 C ATOM 1700 CD LYS A 115 -8.659 -0.592 -22.137 1.00 0.00 C ATOM 1701 CE LYS A 115 -9.561 -1.739 -22.594 1.00 0.00 C ATOM 1702 NZ LYS A 115 -9.259 -2.960 -21.794 1.00 0.00 N ATOM 0 H LYS A 115 -5.926 1.203 -20.109 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.067 -1.425 -21.280 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.830 1.235 -21.922 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.700 0.774 -23.180 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.752 -0.058 -24.024 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.055 -1.483 -23.279 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.328 -0.762 -21.113 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -9.215 0.345 -22.141 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -10.608 -1.462 -22.473 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.404 -1.938 -23.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -9.873 -3.740 -22.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.263 -3.227 -21.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.430 -2.766 -20.787 1.00 0.00 H new ATOM 1716 N ALA A 116 -3.522 0.386 -22.369 1.00 0.00 N ATOM 1717 CA ALA A 116 -2.128 0.253 -22.876 1.00 0.00 C ATOM 1718 C ALA A 116 -1.377 -0.784 -22.039 1.00 0.00 C ATOM 1719 O ALA A 116 -0.572 -1.541 -22.546 1.00 0.00 O ATOM 1720 CB ALA A 116 -1.416 1.604 -22.772 1.00 0.00 C ATOM 0 H ALA A 116 -3.911 1.328 -22.413 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.150 -0.067 -23.918 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.396 1.507 -23.143 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.950 2.344 -23.368 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.394 1.925 -21.730 1.00 0.00 H new ATOM 1726 N ALA A 117 -1.632 -0.827 -20.759 1.00 0.00 N ATOM 1727 CA ALA A 117 -0.933 -1.818 -19.895 1.00 0.00 C ATOM 1728 C ALA A 117 -1.269 -3.232 -20.370 1.00 0.00 C ATOM 1729 O ALA A 117 -0.412 -3.971 -20.810 1.00 0.00 O ATOM 1730 CB ALA A 117 -1.392 -1.643 -18.446 1.00 0.00 C ATOM 0 H ALA A 117 -2.293 -0.219 -20.276 1.00 0.00 H new ATOM 0 HA ALA A 117 0.144 -1.660 -19.956 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.881 -2.368 -17.812 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.154 -0.634 -18.108 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.469 -1.802 -18.384 1.00 0.00 H new ATOM 1736 N ILE A 118 -2.514 -3.614 -20.285 1.00 0.00 N ATOM 1737 CA ILE A 118 -2.906 -4.979 -20.732 1.00 0.00 C ATOM 1738 C ILE A 118 -2.295 -5.259 -22.107 1.00 0.00 C ATOM 1739 O ILE A 118 -2.070 -6.393 -22.477 1.00 0.00 O ATOM 1740 CB ILE A 118 -4.431 -5.068 -20.818 1.00 0.00 C ATOM 1741 CG1 ILE A 118 -5.020 -5.018 -19.406 1.00 0.00 C ATOM 1742 CG2 ILE A 118 -4.830 -6.382 -21.491 1.00 0.00 C ATOM 1743 CD1 ILE A 118 -6.480 -4.566 -19.476 1.00 0.00 C ATOM 0 H ILE A 118 -3.276 -3.039 -19.925 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.541 -5.717 -20.017 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.813 -4.232 -21.404 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.955 -6.001 -18.939 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.445 -4.331 -18.785 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.917 -6.444 -21.552 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.408 -6.419 -22.495 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.451 -7.220 -20.906 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -6.899 -4.531 -18.470 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.533 -3.575 -19.926 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.050 -5.270 -20.082 1.00 0.00 H new ATOM 1755 N ALA A 119 -2.019 -4.232 -22.864 1.00 0.00 N ATOM 1756 CA ALA A 119 -1.415 -4.441 -24.209 1.00 0.00 C ATOM 1757 C ALA A 119 -0.002 -4.999 -24.041 1.00 0.00 C ATOM 1758 O ALA A 119 0.312 -6.074 -24.511 1.00 0.00 O ATOM 1759 CB ALA A 119 -1.353 -3.107 -24.957 1.00 0.00 C ATOM 0 H ALA A 119 -2.186 -3.259 -22.609 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.023 -5.144 -24.779 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -0.911 -3.262 -25.941 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.360 -2.707 -25.071 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.744 -2.401 -24.392 1.00 0.00 H new ATOM 1765 N ASP A 120 0.852 -4.278 -23.366 1.00 0.00 N ATOM 1766 CA ASP A 120 2.241 -4.770 -23.158 1.00 0.00 C ATOM 1767 C ASP A 120 2.195 -6.080 -22.369 1.00 0.00 C ATOM 1768 O ASP A 120 2.925 -7.010 -22.646 1.00 0.00 O ATOM 1769 CB ASP A 120 3.038 -3.727 -22.372 1.00 0.00 C ATOM 1770 CG ASP A 120 3.483 -2.609 -23.316 1.00 0.00 C ATOM 1771 OD1 ASP A 120 3.135 -2.672 -24.484 1.00 0.00 O ATOM 1772 OD2 ASP A 120 4.163 -1.707 -22.856 1.00 0.00 O ATOM 0 H ASP A 120 0.646 -3.370 -22.950 1.00 0.00 H new ATOM 0 HA ASP A 120 2.721 -4.939 -24.122 1.00 0.00 H new ATOM 0 HB2 ASP A 120 2.427 -3.317 -21.568 1.00 0.00 H new ATOM 0 HB3 ASP A 120 3.907 -4.192 -21.907 1.00 0.00 H new ATOM 1777 N TYR A 121 1.334 -6.158 -21.392 1.00 0.00 N ATOM 1778 CA TYR A 121 1.233 -7.407 -20.587 1.00 0.00 C ATOM 1779 C TYR A 121 1.048 -8.599 -21.529 1.00 0.00 C ATOM 1780 O TYR A 121 1.829 -9.529 -21.530 1.00 0.00 O ATOM 1781 CB TYR A 121 0.029 -7.309 -19.648 1.00 0.00 C ATOM 1782 CG TYR A 121 0.128 -8.382 -18.590 1.00 0.00 C ATOM 1783 CD1 TYR A 121 0.814 -8.126 -17.397 1.00 0.00 C ATOM 1784 CD2 TYR A 121 -0.465 -9.632 -18.803 1.00 0.00 C ATOM 1785 CE1 TYR A 121 0.907 -9.121 -16.416 1.00 0.00 C ATOM 1786 CE2 TYR A 121 -0.373 -10.627 -17.822 1.00 0.00 C ATOM 1787 CZ TYR A 121 0.313 -10.371 -16.629 1.00 0.00 C ATOM 1788 OH TYR A 121 0.405 -11.352 -15.662 1.00 0.00 O ATOM 0 H TYR A 121 0.696 -5.411 -21.117 1.00 0.00 H new ATOM 0 HA TYR A 121 2.142 -7.541 -20.000 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.003 -6.325 -19.181 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.896 -7.424 -20.212 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.271 -7.161 -17.233 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -0.994 -9.829 -19.724 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.437 -8.924 -15.496 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -0.831 -11.591 -17.986 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.062 -12.158 -15.968 1.00 0.00 H new ATOM 1798 N LYS A 122 0.021 -8.572 -22.333 1.00 0.00 N ATOM 1799 CA LYS A 122 -0.215 -9.699 -23.278 1.00 0.00 C ATOM 1800 C LYS A 122 1.039 -9.927 -24.123 1.00 0.00 C ATOM 1801 O LYS A 122 1.504 -11.038 -24.278 1.00 0.00 O ATOM 1802 CB LYS A 122 -1.391 -9.354 -24.195 1.00 0.00 C ATOM 1803 CG LYS A 122 -2.172 -10.626 -24.530 1.00 0.00 C ATOM 1804 CD LYS A 122 -3.395 -10.264 -25.376 1.00 0.00 C ATOM 1805 CE LYS A 122 -4.622 -10.136 -24.471 1.00 0.00 C ATOM 1806 NZ LYS A 122 -4.947 -11.467 -23.885 1.00 0.00 N ATOM 0 H LYS A 122 -0.665 -7.818 -22.376 1.00 0.00 H new ATOM 0 HA LYS A 122 -0.443 -10.604 -22.716 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.045 -8.631 -23.707 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.027 -8.887 -25.110 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -1.535 -11.325 -25.072 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -2.485 -11.126 -23.613 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.220 -9.327 -25.904 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -3.566 -11.029 -26.133 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.428 -9.415 -23.677 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.471 -9.761 -25.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.978 -11.564 -23.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.582 -12.218 -24.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.508 -11.550 -22.946 1.00 0.00 H new ATOM 1820 N ALA A 123 1.592 -8.880 -24.672 1.00 0.00 N ATOM 1821 CA ALA A 123 2.817 -9.033 -25.507 1.00 0.00 C ATOM 1822 C ALA A 123 3.798 -9.975 -24.807 1.00 0.00 C ATOM 1823 O ALA A 123 4.669 -10.552 -25.427 1.00 0.00 O ATOM 1824 CB ALA A 123 3.473 -7.666 -25.704 1.00 0.00 C ATOM 0 H ALA A 123 1.248 -7.924 -24.578 1.00 0.00 H new ATOM 0 HA ALA A 123 2.546 -9.449 -26.477 1.00 0.00 H new ATOM 0 HB1 ALA A 123 4.369 -7.777 -26.315 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.774 -6.996 -26.204 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.744 -7.249 -24.734 1.00 0.00 H new ATOM 1830 N LYS A 124 3.665 -10.136 -23.519 1.00 0.00 N ATOM 1831 CA LYS A 124 4.590 -11.042 -22.781 1.00 0.00 C ATOM 1832 C LYS A 124 3.916 -12.400 -22.578 1.00 0.00 C ATOM 1833 O LYS A 124 4.488 -13.435 -22.855 1.00 0.00 O ATOM 1834 CB LYS A 124 4.927 -10.432 -21.419 1.00 0.00 C ATOM 1835 CG LYS A 124 5.956 -9.315 -21.600 1.00 0.00 C ATOM 1836 CD LYS A 124 7.338 -9.926 -21.843 1.00 0.00 C ATOM 1837 CE LYS A 124 8.418 -8.911 -21.466 1.00 0.00 C ATOM 1838 NZ LYS A 124 9.742 -9.592 -21.407 1.00 0.00 N ATOM 0 H LYS A 124 2.956 -9.679 -22.946 1.00 0.00 H new ATOM 0 HA LYS A 124 5.507 -11.171 -23.356 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.025 -10.037 -20.952 1.00 0.00 H new ATOM 0 HB3 LYS A 124 5.321 -11.199 -20.753 1.00 0.00 H new ATOM 0 HG2 LYS A 124 5.675 -8.680 -22.440 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.978 -8.680 -20.714 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.455 -10.834 -21.251 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.442 -10.212 -22.890 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.445 -8.104 -22.198 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.186 -8.459 -20.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.476 -8.902 -21.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.712 -10.347 -20.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.963 -10.003 -22.336 1.00 0.00 H new