USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 493 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 46 LYS NZ :NH3+ -173:sc= 0 (180deg=0) USER MOD Set 1.2: A 85 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.4!) USER MOD Set 2.1: A 49 ASN : amide:sc= -1.13 K(o=-0.033,f=-3.9!) USER MOD Set 2.2: A 52 THR OG1 : rot 80:sc= 1.15 USER MOD Set 2.3: A 76 CYS SG : rot -14:sc= -0.0439 USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 34 SER OG : rot -120:sc= 0.952 USER MOD Set 4.1: A 29 ASN : amide:sc= -1.64 K(o=-3.3,f=-2.7) USER MOD Set 4.2: A 89 GLN : amide:sc= -1.68! C(o=-3.3!,f=-5.5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0816 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 170:sc= -0.0413 USER MOD Single : A 60 ASN : amide:sc= -2.44! C(o=-2.4!,f=-13!) USER MOD Single : A 63 GLN : amide:sc= -0.0396 X(o=-0.04,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.6 K(o=-1.6,f=-8.5!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -67:sc= 0.297 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 87:sc= 0.839 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -136:sc= -0.197 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.390 1.217 -11.337 1.00 0.00 N ATOM 391 CA ILE A 28 -37.830 2.563 -11.366 1.00 0.00 C ATOM 392 C ILE A 28 -38.083 3.234 -12.711 1.00 0.00 C ATOM 393 O ILE A 28 -38.061 2.583 -13.755 1.00 0.00 O ATOM 394 CB ILE A 28 -36.316 2.549 -11.088 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.013 1.729 -9.833 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.791 3.969 -10.939 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.633 2.297 -8.576 1.00 0.00 C ATOM 0 HA ILE A 28 -38.329 3.130 -10.580 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.811 2.083 -11.934 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.374 0.711 -9.978 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.933 1.669 -9.700 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.719 3.942 -10.743 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -35.978 4.524 -11.858 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.299 4.460 -10.109 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.377 1.665 -7.726 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.253 3.305 -8.406 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.717 2.332 -8.688 1.00 0.00 H new ATOM 409 N ASN A 29 -38.322 4.541 -12.679 1.00 0.00 N ATOM 410 CA ASN A 29 -38.578 5.302 -13.896 1.00 0.00 C ATOM 411 C ASN A 29 -38.091 6.741 -13.751 1.00 0.00 C ATOM 412 O ASN A 29 -37.961 7.253 -12.639 1.00 0.00 O ATOM 413 CB ASN A 29 -40.072 5.288 -14.227 1.00 0.00 C ATOM 414 CG ASN A 29 -40.644 3.884 -14.260 1.00 0.00 C ATOM 415 OD1 ASN A 29 -40.759 3.274 -15.323 1.00 0.00 O ATOM 416 ND2 ASN A 29 -41.005 3.365 -13.093 1.00 0.00 N ATOM 0 H ASN A 29 -38.344 5.095 -11.823 1.00 0.00 H new ATOM 0 HA ASN A 29 -38.028 4.832 -14.711 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.611 5.880 -13.487 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.232 5.765 -15.194 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -41.396 2.424 -13.053 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -40.891 3.907 -12.237 1.00 0.00 H new ATOM 423 N ILE A 30 -37.824 7.386 -14.882 1.00 0.00 N ATOM 424 CA ILE A 30 -37.354 8.765 -14.880 1.00 0.00 C ATOM 425 C ILE A 30 -38.154 9.620 -15.857 1.00 0.00 C ATOM 426 O ILE A 30 -38.698 9.117 -16.840 1.00 0.00 O ATOM 427 CB ILE A 30 -35.860 8.851 -15.246 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.558 7.968 -16.459 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.000 8.443 -14.060 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.102 7.983 -16.870 1.00 0.00 C ATOM 0 H ILE A 30 -37.925 6.976 -15.810 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.495 9.145 -13.868 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.623 9.883 -15.504 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.853 6.943 -16.235 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.168 8.299 -17.300 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.947 8.509 -14.334 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.199 9.109 -13.220 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.237 7.418 -13.774 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.962 7.335 -17.736 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.807 9.000 -17.126 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.487 7.624 -16.045 1.00 0.00 H new ATOM 442 N THR A 31 -38.223 10.919 -15.579 1.00 0.00 N ATOM 443 CA THR A 31 -38.956 11.845 -16.433 1.00 0.00 C ATOM 444 C THR A 31 -38.134 13.096 -16.721 1.00 0.00 C ATOM 445 O THR A 31 -37.021 13.249 -16.216 1.00 0.00 O ATOM 446 CB THR A 31 -40.294 12.261 -15.792 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.141 12.378 -14.373 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.383 11.247 -16.108 1.00 0.00 C ATOM 0 H THR A 31 -37.780 11.353 -14.769 1.00 0.00 H new ATOM 0 HA THR A 31 -39.156 11.321 -17.368 1.00 0.00 H new ATOM 0 HB THR A 31 -40.587 13.226 -16.206 1.00 0.00 H new ATOM 0 HG1 THR A 31 -40.995 12.644 -13.973 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.318 11.562 -15.645 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.517 11.181 -17.188 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.095 10.271 -15.718 1.00 0.00 H new ATOM 456 N TYR A 32 -38.687 13.987 -17.536 1.00 0.00 N ATOM 457 CA TYR A 32 -38.004 15.225 -17.893 1.00 0.00 C ATOM 458 C TYR A 32 -37.804 16.110 -16.666 1.00 0.00 C ATOM 459 O TYR A 32 -36.954 17.001 -16.662 1.00 0.00 O ATOM 460 CB TYR A 32 -38.798 15.982 -18.958 1.00 0.00 C ATOM 461 CG TYR A 32 -38.309 15.736 -20.367 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.023 16.098 -20.751 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.132 15.140 -21.315 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.573 15.875 -22.037 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.689 14.913 -22.604 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.409 15.282 -22.960 1.00 0.00 C ATOM 467 OH TYR A 32 -36.963 15.058 -24.242 1.00 0.00 O ATOM 0 H TYR A 32 -39.607 13.875 -17.962 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.025 14.967 -18.296 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.847 15.693 -18.891 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.747 17.050 -18.746 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.365 16.562 -20.031 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.135 14.849 -21.040 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.571 16.163 -22.319 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.342 14.449 -23.329 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.673 14.632 -24.766 1.00 0.00 H new ATOM 477 N ASP A 33 -38.593 15.857 -15.628 1.00 0.00 N ATOM 478 CA ASP A 33 -38.503 16.629 -14.394 1.00 0.00 C ATOM 479 C ASP A 33 -38.010 15.758 -13.243 1.00 0.00 C ATOM 480 O ASP A 33 -38.449 15.910 -12.103 1.00 0.00 O ATOM 481 CB ASP A 33 -39.863 17.234 -14.045 1.00 0.00 C ATOM 482 CG ASP A 33 -39.761 18.690 -13.634 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.133 18.970 -12.592 1.00 0.00 O ATOM 484 OD2 ASP A 33 -40.309 19.549 -14.356 1.00 0.00 O ATOM 0 H ASP A 33 -39.302 15.124 -15.616 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.785 17.434 -14.550 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.527 17.148 -14.905 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.315 16.662 -13.235 1.00 0.00 H new ATOM 489 N SER A 34 -37.095 14.843 -13.549 1.00 0.00 N ATOM 490 CA SER A 34 -36.546 13.944 -12.541 1.00 0.00 C ATOM 491 C SER A 34 -35.256 14.509 -11.954 1.00 0.00 C ATOM 492 O SER A 34 -34.695 15.476 -12.470 1.00 0.00 O ATOM 493 CB SER A 34 -36.282 12.564 -13.148 1.00 0.00 C ATOM 494 OG SER A 34 -37.431 11.740 -13.060 1.00 0.00 O ATOM 0 H SER A 34 -36.719 14.705 -14.487 1.00 0.00 H new ATOM 0 HA SER A 34 -37.278 13.847 -11.739 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.988 12.673 -14.192 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.449 12.089 -12.630 1.00 0.00 H new ATOM 0 HG SER A 34 -37.220 10.940 -12.535 1.00 0.00 H new ATOM 500 N THR A 35 -34.789 13.898 -10.869 1.00 0.00 N ATOM 501 CA THR A 35 -33.567 14.339 -10.209 1.00 0.00 C ATOM 502 C THR A 35 -32.369 13.509 -10.659 1.00 0.00 C ATOM 503 O THR A 35 -32.505 12.370 -11.105 1.00 0.00 O ATOM 504 CB THR A 35 -33.692 14.250 -8.677 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.282 12.954 -8.226 1.00 0.00 O ATOM 506 CG2 THR A 35 -35.123 14.517 -8.234 1.00 0.00 C ATOM 0 H THR A 35 -35.240 13.096 -10.429 1.00 0.00 H new ATOM 0 HA THR A 35 -33.412 15.380 -10.493 1.00 0.00 H new ATOM 0 HB THR A 35 -33.045 15.009 -8.238 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.363 12.906 -7.251 1.00 0.00 H new ATOM 0 HG21 THR A 35 -35.186 14.449 -7.148 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.422 15.515 -8.553 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.787 13.778 -8.683 1.00 0.00 H new ATOM 514 N PRO A 36 -31.167 14.092 -10.540 1.00 0.00 N ATOM 515 CA PRO A 36 -29.922 13.423 -10.928 1.00 0.00 C ATOM 516 C PRO A 36 -29.566 12.272 -9.993 1.00 0.00 C ATOM 517 O PRO A 36 -28.635 11.512 -10.257 1.00 0.00 O ATOM 518 CB PRO A 36 -28.876 14.536 -10.828 1.00 0.00 C ATOM 519 CG PRO A 36 -29.438 15.498 -9.839 1.00 0.00 C ATOM 520 CD PRO A 36 -30.931 15.448 -10.016 1.00 0.00 C ATOM 0 HA PRO A 36 -29.993 12.973 -11.918 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.913 14.146 -10.497 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.712 15.013 -11.794 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.156 15.223 -8.823 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.058 16.504 -10.014 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.453 15.611 -9.073 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.279 16.213 -10.710 1.00 0.00 H new ATOM 528 N GLU A 37 -30.313 12.151 -8.900 1.00 0.00 N ATOM 529 CA GLU A 37 -30.075 11.092 -7.926 1.00 0.00 C ATOM 530 C GLU A 37 -30.939 9.871 -8.228 1.00 0.00 C ATOM 531 O GLU A 37 -30.593 8.747 -7.863 1.00 0.00 O ATOM 532 CB GLU A 37 -30.362 11.597 -6.511 1.00 0.00 C ATOM 533 CG GLU A 37 -29.276 11.245 -5.507 1.00 0.00 C ATOM 534 CD GLU A 37 -29.012 12.363 -4.518 1.00 0.00 C ATOM 535 OE1 GLU A 37 -28.259 13.297 -4.865 1.00 0.00 O ATOM 536 OE2 GLU A 37 -29.558 12.304 -3.396 1.00 0.00 O ATOM 0 H GLU A 37 -31.087 12.773 -8.667 1.00 0.00 H new ATOM 0 HA GLU A 37 -29.027 10.799 -7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.483 12.680 -6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.309 11.179 -6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.566 10.346 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.355 11.012 -6.041 1.00 0.00 H new ATOM 543 N ASP A 38 -32.065 10.101 -8.895 1.00 0.00 N ATOM 544 CA ASP A 38 -32.979 9.020 -9.246 1.00 0.00 C ATOM 545 C ASP A 38 -32.463 8.242 -10.453 1.00 0.00 C ATOM 546 O ASP A 38 -32.604 7.022 -10.524 1.00 0.00 O ATOM 547 CB ASP A 38 -34.372 9.578 -9.542 1.00 0.00 C ATOM 548 CG ASP A 38 -35.310 9.452 -8.357 1.00 0.00 C ATOM 549 OD1 ASP A 38 -34.813 9.317 -7.219 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.540 9.489 -8.568 1.00 0.00 O ATOM 0 H ASP A 38 -32.366 11.025 -9.203 1.00 0.00 H new ATOM 0 HA ASP A 38 -33.041 8.339 -8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.287 10.627 -9.825 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.797 9.051 -10.396 1.00 0.00 H new ATOM 555 N VAL A 39 -31.865 8.958 -11.400 1.00 0.00 N ATOM 556 CA VAL A 39 -31.327 8.335 -12.604 1.00 0.00 C ATOM 557 C VAL A 39 -30.285 7.278 -12.257 1.00 0.00 C ATOM 558 O VAL A 39 -30.165 6.260 -12.939 1.00 0.00 O ATOM 559 CB VAL A 39 -30.691 9.379 -13.540 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.117 8.708 -14.778 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.710 10.441 -13.924 1.00 0.00 C ATOM 0 H VAL A 39 -31.741 9.969 -11.357 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.164 7.861 -13.116 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.874 9.867 -13.009 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.672 9.462 -15.427 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.354 7.989 -14.481 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -30.913 8.192 -15.314 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.243 11.171 -14.586 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.550 9.971 -14.436 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.068 10.943 -13.025 1.00 0.00 H new ATOM 571 N LYS A 40 -29.531 7.525 -11.191 1.00 0.00 N ATOM 572 CA LYS A 40 -28.499 6.594 -10.750 1.00 0.00 C ATOM 573 C LYS A 40 -29.089 5.213 -10.486 1.00 0.00 C ATOM 574 O LYS A 40 -28.541 4.198 -10.919 1.00 0.00 O ATOM 575 CB LYS A 40 -27.816 7.119 -9.485 1.00 0.00 C ATOM 576 CG LYS A 40 -26.318 6.870 -9.455 1.00 0.00 C ATOM 577 CD LYS A 40 -25.672 7.508 -8.236 1.00 0.00 C ATOM 578 CE LYS A 40 -24.559 8.466 -8.633 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.366 8.326 -7.752 1.00 0.00 N ATOM 0 H LYS A 40 -29.616 8.363 -10.616 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.759 6.508 -11.546 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -28.000 8.190 -9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.272 6.648 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -26.126 5.797 -9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.863 7.271 -10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -26.427 8.044 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.270 6.730 -7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.271 8.279 -9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.928 9.491 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.630 8.996 -8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.635 8.529 -6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.999 7.355 -7.817 1.00 0.00 H new ATOM 593 N THR A 41 -30.211 5.179 -9.774 1.00 0.00 N ATOM 594 CA THR A 41 -30.876 3.923 -9.453 1.00 0.00 C ATOM 595 C THR A 41 -31.573 3.341 -10.677 1.00 0.00 C ATOM 596 O THR A 41 -31.622 2.124 -10.855 1.00 0.00 O ATOM 597 CB THR A 41 -31.910 4.106 -8.326 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.263 4.582 -7.140 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.624 2.796 -8.029 1.00 0.00 C ATOM 0 H THR A 41 -30.679 6.009 -9.408 1.00 0.00 H new ATOM 0 HA THR A 41 -30.102 3.233 -9.117 1.00 0.00 H new ATOM 0 HB THR A 41 -32.648 4.837 -8.655 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.927 4.697 -6.429 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.349 2.950 -7.230 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.139 2.451 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.896 2.047 -7.719 1.00 0.00 H new ATOM 607 N TRP A 42 -32.110 4.217 -11.518 1.00 0.00 N ATOM 608 CA TRP A 42 -32.804 3.789 -12.727 1.00 0.00 C ATOM 609 C TRP A 42 -31.873 2.997 -13.639 1.00 0.00 C ATOM 610 O TRP A 42 -32.305 2.080 -14.339 1.00 0.00 O ATOM 611 CB TRP A 42 -33.362 5.000 -13.476 1.00 0.00 C ATOM 612 CG TRP A 42 -34.121 4.635 -14.716 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.412 4.195 -14.786 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.635 4.676 -16.062 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.758 3.961 -16.095 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.685 4.249 -16.897 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.415 5.034 -16.642 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.550 4.169 -18.281 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.283 4.954 -18.016 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.345 4.526 -18.822 1.00 0.00 C ATOM 0 H TRP A 42 -32.078 5.228 -11.385 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.629 3.142 -12.431 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.018 5.560 -12.809 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.539 5.663 -13.744 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.065 4.052 -13.938 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.666 3.627 -16.417 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.591 5.367 -16.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.367 3.837 -18.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.344 5.226 -18.476 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.210 4.477 -19.892 1.00 0.00 H new ATOM 631 N LEU A 43 -30.594 3.356 -13.626 1.00 0.00 N ATOM 632 CA LEU A 43 -29.601 2.678 -14.452 1.00 0.00 C ATOM 633 C LEU A 43 -29.194 1.345 -13.830 1.00 0.00 C ATOM 634 O LEU A 43 -29.065 0.339 -14.527 1.00 0.00 O ATOM 635 CB LEU A 43 -28.369 3.565 -14.634 1.00 0.00 C ATOM 636 CG LEU A 43 -28.628 4.970 -15.181 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.726 5.984 -14.497 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.423 5.001 -16.689 1.00 0.00 C ATOM 0 H LEU A 43 -30.220 4.112 -13.053 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.048 2.482 -15.427 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.868 3.659 -13.671 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.677 3.057 -15.305 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.664 5.236 -14.970 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -27.925 6.977 -14.899 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -27.922 5.981 -13.425 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.683 5.722 -14.676 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.611 6.008 -17.061 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.398 4.714 -16.923 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.113 4.304 -17.164 1.00 0.00 H new ATOM 650 N GLN A 44 -28.997 1.347 -12.516 1.00 0.00 N ATOM 651 CA GLN A 44 -28.607 0.137 -11.801 1.00 0.00 C ATOM 652 C GLN A 44 -29.722 -0.903 -11.841 1.00 0.00 C ATOM 653 O GLN A 44 -29.476 -2.081 -12.099 1.00 0.00 O ATOM 654 CB GLN A 44 -28.254 0.468 -10.350 1.00 0.00 C ATOM 655 CG GLN A 44 -26.947 1.231 -10.201 1.00 0.00 C ATOM 656 CD GLN A 44 -25.771 0.321 -9.904 1.00 0.00 C ATOM 657 OE1 GLN A 44 -25.922 -0.716 -9.257 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.591 0.705 -10.376 1.00 0.00 N ATOM 0 H GLN A 44 -29.101 2.172 -11.925 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.729 -0.279 -12.295 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.061 1.057 -9.914 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.191 -0.459 -9.779 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.749 1.787 -11.117 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.047 1.963 -9.399 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.512 1.572 -10.907 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.764 0.133 -10.207 1.00 0.00 H new ATOM 667 N SER A 45 -30.948 -0.458 -11.584 1.00 0.00 N ATOM 668 CA SER A 45 -32.101 -1.351 -11.587 1.00 0.00 C ATOM 669 C SER A 45 -32.199 -2.107 -12.908 1.00 0.00 C ATOM 670 O SER A 45 -32.336 -3.331 -12.929 1.00 0.00 O ATOM 671 CB SER A 45 -33.386 -0.559 -11.342 1.00 0.00 C ATOM 672 OG SER A 45 -34.517 -1.259 -11.832 1.00 0.00 O ATOM 0 H SER A 45 -31.168 0.515 -11.371 1.00 0.00 H new ATOM 0 HA SER A 45 -31.971 -2.076 -10.783 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.504 -0.372 -10.275 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.316 0.413 -11.830 1.00 0.00 H new ATOM 0 HG SER A 45 -35.326 -0.733 -11.662 1.00 0.00 H new ATOM 678 N LYS A 46 -32.129 -1.370 -14.011 1.00 0.00 N ATOM 679 CA LYS A 46 -32.209 -1.968 -15.339 1.00 0.00 C ATOM 680 C LYS A 46 -31.091 -2.985 -15.545 1.00 0.00 C ATOM 681 O LYS A 46 -31.220 -3.909 -16.346 1.00 0.00 O ATOM 682 CB LYS A 46 -32.131 -0.882 -16.415 1.00 0.00 C ATOM 683 CG LYS A 46 -33.337 0.040 -16.437 1.00 0.00 C ATOM 684 CD LYS A 46 -34.597 -0.698 -16.857 1.00 0.00 C ATOM 685 CE LYS A 46 -35.627 0.250 -17.452 1.00 0.00 C ATOM 686 NZ LYS A 46 -36.822 -0.479 -17.961 1.00 0.00 N ATOM 0 H LYS A 46 -32.017 -0.356 -14.012 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.165 -2.484 -15.422 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.232 -0.287 -16.254 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -32.029 -1.356 -17.391 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.482 0.475 -15.448 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.152 0.866 -17.124 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.343 -1.466 -17.588 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -35.026 -1.208 -15.994 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.936 0.971 -16.696 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.173 0.816 -18.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.445 0.185 -18.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -36.519 -1.230 -18.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.337 -0.901 -17.162 1.00 0.00 H new ATOM 700 N GLY A 47 -29.994 -2.808 -14.815 1.00 0.00 N ATOM 701 CA GLY A 47 -28.870 -3.719 -14.933 1.00 0.00 C ATOM 702 C GLY A 47 -27.779 -3.180 -15.837 1.00 0.00 C ATOM 703 O GLY A 47 -27.310 -3.875 -16.738 1.00 0.00 O ATOM 0 H GLY A 47 -29.863 -2.051 -14.144 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.456 -3.910 -13.943 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.220 -4.675 -15.322 1.00 0.00 H new ATOM 707 N PHE A 48 -27.374 -1.937 -15.597 1.00 0.00 N ATOM 708 CA PHE A 48 -26.333 -1.304 -16.398 1.00 0.00 C ATOM 709 C PHE A 48 -25.022 -1.224 -15.621 1.00 0.00 C ATOM 710 O PHE A 48 -25.020 -1.068 -14.401 1.00 0.00 O ATOM 711 CB PHE A 48 -26.771 0.098 -16.826 1.00 0.00 C ATOM 712 CG PHE A 48 -27.720 0.101 -17.990 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.254 -0.094 -19.281 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.077 0.297 -17.795 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.125 -0.091 -20.354 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.953 0.300 -18.864 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.476 0.104 -20.145 1.00 0.00 C ATOM 0 H PHE A 48 -27.751 -1.348 -14.854 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.172 -1.914 -17.287 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.245 0.596 -15.980 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.888 0.682 -17.086 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.199 -0.250 -19.450 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.455 0.449 -16.795 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.749 -0.241 -21.355 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.009 0.455 -18.698 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.158 0.103 -20.982 1.00 0.00 H new ATOM 727 N ASN A 49 -23.909 -1.334 -16.339 1.00 0.00 N ATOM 728 CA ASN A 49 -22.590 -1.276 -15.718 1.00 0.00 C ATOM 729 C ASN A 49 -22.445 -0.018 -14.867 1.00 0.00 C ATOM 730 O ASN A 49 -23.119 0.989 -15.083 1.00 0.00 O ATOM 731 CB ASN A 49 -21.497 -1.310 -16.788 1.00 0.00 C ATOM 732 CG ASN A 49 -21.442 -0.030 -17.599 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.357 0.792 -17.546 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.364 0.145 -18.354 1.00 0.00 N ATOM 0 H ASN A 49 -23.894 -1.464 -17.351 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.482 -2.146 -15.071 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.531 -1.477 -16.312 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.673 -2.153 -17.456 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.270 0.988 -18.921 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.630 -0.563 -18.367 1.00 0.00 H new ATOM 741 N PRO A 50 -21.543 -0.076 -13.875 1.00 0.00 N ATOM 742 CA PRO A 50 -21.287 1.050 -12.972 1.00 0.00 C ATOM 743 C PRO A 50 -20.586 2.208 -13.674 1.00 0.00 C ATOM 744 O PRO A 50 -20.744 3.367 -13.290 1.00 0.00 O ATOM 745 CB PRO A 50 -20.377 0.445 -11.900 1.00 0.00 C ATOM 746 CG PRO A 50 -19.706 -0.701 -12.576 1.00 0.00 C ATOM 747 CD PRO A 50 -20.705 -1.244 -13.559 1.00 0.00 C ATOM 0 HA PRO A 50 -22.210 1.474 -12.577 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.650 1.173 -11.541 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -20.951 0.113 -11.035 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.797 -0.377 -13.082 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.415 -1.464 -11.854 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.217 -1.641 -14.449 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.292 -2.055 -13.128 1.00 0.00 H new ATOM 755 N VAL A 51 -19.811 1.887 -14.706 1.00 0.00 N ATOM 756 CA VAL A 51 -19.087 2.902 -15.462 1.00 0.00 C ATOM 757 C VAL A 51 -20.046 3.904 -16.096 1.00 0.00 C ATOM 758 O VAL A 51 -19.669 5.037 -16.396 1.00 0.00 O ATOM 759 CB VAL A 51 -18.222 2.266 -16.567 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.494 3.341 -17.360 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.237 1.275 -15.968 1.00 0.00 C ATOM 0 H VAL A 51 -19.669 0.933 -15.037 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.439 3.421 -14.756 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.876 1.725 -17.250 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.888 2.873 -18.136 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.222 4.009 -17.821 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.850 3.913 -16.692 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.634 0.835 -16.763 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.586 1.791 -15.262 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.783 0.487 -15.449 1.00 0.00 H new ATOM 771 N THR A 52 -21.290 3.479 -16.296 1.00 0.00 N ATOM 772 CA THR A 52 -22.303 4.338 -16.895 1.00 0.00 C ATOM 773 C THR A 52 -23.091 5.086 -15.825 1.00 0.00 C ATOM 774 O THR A 52 -23.329 6.288 -15.942 1.00 0.00 O ATOM 775 CB THR A 52 -23.283 3.529 -17.766 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.592 2.968 -18.887 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.424 4.408 -18.255 1.00 0.00 C ATOM 0 H THR A 52 -21.620 2.545 -16.052 1.00 0.00 H new ATOM 0 HA THR A 52 -21.777 5.056 -17.524 1.00 0.00 H new ATOM 0 HB THR A 52 -23.699 2.726 -17.157 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.116 2.159 -18.606 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.103 3.815 -18.868 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.966 4.811 -17.399 1.00 0.00 H new ATOM 0 HG23 THR A 52 -24.022 5.229 -18.849 1.00 0.00 H new ATOM 785 N VAL A 53 -23.493 4.367 -14.781 1.00 0.00 N ATOM 786 CA VAL A 53 -24.252 4.964 -13.689 1.00 0.00 C ATOM 787 C VAL A 53 -23.444 6.049 -12.987 1.00 0.00 C ATOM 788 O VAL A 53 -24.003 6.920 -12.321 1.00 0.00 O ATOM 789 CB VAL A 53 -24.675 3.904 -12.655 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.597 4.514 -11.611 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.344 2.724 -13.345 1.00 0.00 C ATOM 0 H VAL A 53 -23.305 3.371 -14.669 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.145 5.408 -14.129 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.782 3.540 -12.147 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.885 3.750 -10.889 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.079 5.323 -11.096 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.489 4.907 -12.099 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.636 1.985 -12.599 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.229 3.069 -13.880 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.647 2.272 -14.050 1.00 0.00 H new ATOM 801 N ASN A 54 -22.126 5.990 -13.140 1.00 0.00 N ATOM 802 CA ASN A 54 -21.240 6.969 -12.520 1.00 0.00 C ATOM 803 C ASN A 54 -21.180 8.250 -13.347 1.00 0.00 C ATOM 804 O ASN A 54 -21.212 9.354 -12.803 1.00 0.00 O ATOM 805 CB ASN A 54 -19.834 6.386 -12.360 1.00 0.00 C ATOM 806 CG ASN A 54 -19.402 6.307 -10.909 1.00 0.00 C ATOM 807 OD1 ASN A 54 -18.894 7.277 -10.347 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.603 5.147 -10.294 1.00 0.00 N ATOM 0 H ASN A 54 -21.647 5.275 -13.688 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.640 7.212 -11.536 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.805 5.389 -12.800 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.124 7.000 -12.915 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.333 5.034 -9.317 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.028 4.369 -10.799 1.00 0.00 H new ATOM 815 N SER A 55 -21.095 8.094 -14.664 1.00 0.00 N ATOM 816 CA SER A 55 -21.028 9.238 -15.566 1.00 0.00 C ATOM 817 C SER A 55 -22.410 9.851 -15.769 1.00 0.00 C ATOM 818 O SER A 55 -22.540 11.052 -16.009 1.00 0.00 O ATOM 819 CB SER A 55 -20.442 8.816 -16.915 1.00 0.00 C ATOM 820 OG SER A 55 -19.573 9.812 -17.427 1.00 0.00 O ATOM 0 H SER A 55 -21.071 7.187 -15.130 1.00 0.00 H new ATOM 0 HA SER A 55 -20.379 9.989 -15.114 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.899 7.878 -16.802 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.249 8.633 -17.625 1.00 0.00 H new ATOM 0 HG SER A 55 -19.089 9.457 -18.202 1.00 0.00 H new ATOM 826 N LEU A 56 -23.440 9.018 -15.670 1.00 0.00 N ATOM 827 CA LEU A 56 -24.814 9.477 -15.843 1.00 0.00 C ATOM 828 C LEU A 56 -25.562 9.469 -14.513 1.00 0.00 C ATOM 829 O LEU A 56 -26.790 9.410 -14.480 1.00 0.00 O ATOM 830 CB LEU A 56 -25.544 8.594 -16.857 1.00 0.00 C ATOM 831 CG LEU A 56 -24.834 8.379 -18.194 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.581 7.358 -19.037 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.699 9.697 -18.944 1.00 0.00 C ATOM 0 H LEU A 56 -23.350 8.022 -15.471 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.785 10.501 -16.217 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.719 7.620 -16.401 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.522 9.034 -17.054 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.834 7.993 -17.995 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.061 7.218 -19.985 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.625 6.408 -18.504 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.593 7.714 -19.228 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.191 9.525 -19.893 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.689 10.112 -19.132 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.119 10.399 -18.345 1.00 0.00 H new ATOM 845 N GLY A 57 -24.811 9.530 -13.417 1.00 0.00 N ATOM 846 CA GLY A 57 -25.420 9.531 -12.100 1.00 0.00 C ATOM 847 C GLY A 57 -25.445 10.911 -11.474 1.00 0.00 C ATOM 848 O GLY A 57 -25.820 11.066 -10.311 1.00 0.00 O ATOM 0 H GLY A 57 -23.792 9.579 -13.418 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.439 9.150 -12.174 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.872 8.850 -11.449 1.00 0.00 H new ATOM 852 N VAL A 58 -25.044 11.917 -12.245 1.00 0.00 N ATOM 853 CA VAL A 58 -25.022 13.291 -11.759 1.00 0.00 C ATOM 854 C VAL A 58 -25.981 14.171 -12.553 1.00 0.00 C ATOM 855 O VAL A 58 -26.376 15.245 -12.098 1.00 0.00 O ATOM 856 CB VAL A 58 -23.606 13.892 -11.839 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.714 13.302 -10.758 1.00 0.00 C ATOM 858 CG2 VAL A 58 -23.008 13.663 -13.219 1.00 0.00 C ATOM 0 H VAL A 58 -24.730 11.806 -13.209 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.339 13.263 -10.716 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.676 14.967 -11.672 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.718 13.738 -10.830 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.136 13.522 -9.778 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.648 12.222 -10.890 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -22.008 14.094 -13.258 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.950 12.593 -13.417 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.637 14.138 -13.972 1.00 0.00 H new ATOM 868 N LEU A 59 -26.353 13.708 -13.741 1.00 0.00 N ATOM 869 CA LEU A 59 -27.267 14.452 -14.600 1.00 0.00 C ATOM 870 C LEU A 59 -28.718 14.097 -14.289 1.00 0.00 C ATOM 871 O LEU A 59 -29.053 12.929 -14.095 1.00 0.00 O ATOM 872 CB LEU A 59 -26.964 14.164 -16.072 1.00 0.00 C ATOM 873 CG LEU A 59 -25.644 14.721 -16.606 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.492 14.404 -18.086 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.563 16.222 -16.369 1.00 0.00 C ATOM 0 H LEU A 59 -26.036 12.821 -14.131 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.123 15.515 -14.407 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.965 13.084 -16.218 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.777 14.568 -16.676 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.826 14.244 -16.067 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.547 14.808 -18.449 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.504 13.324 -18.230 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.316 14.853 -18.641 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.617 16.601 -16.755 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.388 16.716 -16.881 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.626 16.425 -15.300 1.00 0.00 H new ATOM 887 N ASN A 60 -29.574 15.112 -14.245 1.00 0.00 N ATOM 888 CA ASN A 60 -30.989 14.906 -13.959 1.00 0.00 C ATOM 889 C ASN A 60 -31.700 14.279 -15.154 1.00 0.00 C ATOM 890 O ASN A 60 -31.167 14.251 -16.262 1.00 0.00 O ATOM 891 CB ASN A 60 -31.656 16.235 -13.595 1.00 0.00 C ATOM 892 CG ASN A 60 -31.459 17.292 -14.663 1.00 0.00 C ATOM 893 OD1 ASN A 60 -32.069 17.233 -15.731 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.603 18.267 -14.380 1.00 0.00 N ATOM 0 H ASN A 60 -29.313 16.085 -14.404 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.067 14.223 -13.113 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.723 16.073 -13.441 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.249 16.596 -12.651 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.429 19.007 -15.061 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -30.119 18.276 -13.482 1.00 0.00 H new ATOM 901 N GLY A 61 -32.909 13.776 -14.920 1.00 0.00 N ATOM 902 CA GLY A 61 -33.673 13.156 -15.986 1.00 0.00 C ATOM 903 C GLY A 61 -33.784 14.042 -17.211 1.00 0.00 C ATOM 904 O GLY A 61 -33.729 13.559 -18.342 1.00 0.00 O ATOM 0 H GLY A 61 -33.372 13.787 -14.011 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.203 12.213 -16.265 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.672 12.918 -15.622 1.00 0.00 H new ATOM 908 N ALA A 62 -33.941 15.343 -16.987 1.00 0.00 N ATOM 909 CA ALA A 62 -34.059 16.298 -18.082 1.00 0.00 C ATOM 910 C ALA A 62 -32.820 16.271 -18.970 1.00 0.00 C ATOM 911 O ALA A 62 -32.917 16.061 -20.179 1.00 0.00 O ATOM 912 CB ALA A 62 -34.289 17.700 -17.536 1.00 0.00 C ATOM 0 H ALA A 62 -33.989 15.759 -16.057 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.916 16.011 -18.691 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.375 18.403 -18.364 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.207 17.716 -16.949 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.449 17.986 -16.903 1.00 0.00 H new ATOM 918 N GLN A 63 -31.657 16.484 -18.363 1.00 0.00 N ATOM 919 CA GLN A 63 -30.400 16.486 -19.100 1.00 0.00 C ATOM 920 C GLN A 63 -30.169 15.143 -19.785 1.00 0.00 C ATOM 921 O GLN A 63 -29.852 15.086 -20.974 1.00 0.00 O ATOM 922 CB GLN A 63 -29.234 16.799 -18.161 1.00 0.00 C ATOM 923 CG GLN A 63 -29.315 18.180 -17.531 1.00 0.00 C ATOM 924 CD GLN A 63 -28.309 19.150 -18.119 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.534 19.775 -17.394 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.315 19.281 -19.440 1.00 0.00 N ATOM 0 H GLN A 63 -31.560 16.657 -17.363 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.458 17.259 -19.866 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.204 16.049 -17.370 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.299 16.716 -18.715 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.320 18.579 -17.667 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.148 18.096 -16.457 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.974 18.744 -20.003 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.660 19.919 -19.892 1.00 0.00 H new ATOM 935 N LEU A 64 -30.329 14.063 -19.028 1.00 0.00 N ATOM 936 CA LEU A 64 -30.139 12.719 -19.562 1.00 0.00 C ATOM 937 C LEU A 64 -31.054 12.473 -20.757 1.00 0.00 C ATOM 938 O LEU A 64 -30.665 11.821 -21.727 1.00 0.00 O ATOM 939 CB LEU A 64 -30.406 11.675 -18.477 1.00 0.00 C ATOM 940 CG LEU A 64 -30.356 10.213 -18.924 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.457 9.404 -18.003 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.756 9.619 -18.964 1.00 0.00 C ATOM 0 H LEU A 64 -30.590 14.092 -18.042 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.105 12.631 -19.896 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.677 11.815 -17.679 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.389 11.869 -18.048 1.00 0.00 H new ATOM 0 HG LEU A 64 -29.939 10.175 -19.930 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.434 8.367 -18.336 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.448 9.815 -18.026 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.844 9.449 -16.985 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.701 8.579 -19.284 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.201 9.670 -17.970 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.370 10.182 -19.666 1.00 0.00 H new ATOM 954 N PHE A 65 -32.271 13.000 -20.682 1.00 0.00 N ATOM 955 CA PHE A 65 -33.242 12.839 -21.758 1.00 0.00 C ATOM 956 C PHE A 65 -32.784 13.569 -23.017 1.00 0.00 C ATOM 957 O PHE A 65 -33.212 13.246 -24.125 1.00 0.00 O ATOM 958 CB PHE A 65 -34.612 13.363 -21.321 1.00 0.00 C ATOM 959 CG PHE A 65 -35.443 12.339 -20.601 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.842 11.354 -19.834 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.826 12.362 -20.693 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.604 10.411 -19.171 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.593 11.422 -20.031 1.00 0.00 C ATOM 964 CZ PHE A 65 -36.981 10.444 -19.270 1.00 0.00 C ATOM 0 H PHE A 65 -32.609 13.543 -19.887 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.323 11.776 -21.984 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.472 14.227 -20.672 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.157 13.709 -22.199 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.765 11.323 -19.753 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.309 13.123 -21.288 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.123 9.649 -18.576 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.670 11.452 -20.108 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.578 9.707 -18.754 1.00 0.00 H new ATOM 974 N SER A 66 -31.913 14.556 -22.838 1.00 0.00 N ATOM 975 CA SER A 66 -31.399 15.336 -23.958 1.00 0.00 C ATOM 976 C SER A 66 -30.344 14.549 -24.729 1.00 0.00 C ATOM 977 O SER A 66 -30.191 14.715 -25.940 1.00 0.00 O ATOM 978 CB SER A 66 -30.806 16.655 -23.459 1.00 0.00 C ATOM 979 OG SER A 66 -30.589 17.555 -24.532 1.00 0.00 O ATOM 0 H SER A 66 -31.548 14.835 -21.927 1.00 0.00 H new ATOM 0 HA SER A 66 -32.229 15.551 -24.631 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.479 17.108 -22.731 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.864 16.463 -22.945 1.00 0.00 H new ATOM 0 HG SER A 66 -30.211 18.391 -24.187 1.00 0.00 H new ATOM 985 N LEU A 67 -29.618 13.692 -24.019 1.00 0.00 N ATOM 986 CA LEU A 67 -28.576 12.878 -24.635 1.00 0.00 C ATOM 987 C LEU A 67 -29.184 11.780 -25.502 1.00 0.00 C ATOM 988 O LEU A 67 -30.106 11.083 -25.081 1.00 0.00 O ATOM 989 CB LEU A 67 -27.682 12.259 -23.559 1.00 0.00 C ATOM 990 CG LEU A 67 -27.112 13.227 -22.522 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.338 12.470 -21.454 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.224 14.265 -23.191 1.00 0.00 C ATOM 0 H LEU A 67 -29.732 13.543 -23.016 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.972 13.525 -25.272 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.254 11.493 -23.036 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.851 11.755 -24.052 1.00 0.00 H new ATOM 0 HG LEU A 67 -27.943 13.745 -22.042 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -25.940 13.175 -20.725 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -27.003 11.766 -20.953 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.516 11.925 -21.918 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.828 14.945 -22.437 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.399 13.765 -23.699 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.808 14.830 -23.918 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.658 11.630 -26.713 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.148 10.615 -27.638 1.00 0.00 C ATOM 1006 C ASN A 68 -28.155 9.462 -27.757 1.00 0.00 C ATOM 1007 O ASN A 68 -27.195 9.373 -26.991 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.399 11.230 -29.017 1.00 0.00 C ATOM 1009 CG ASN A 68 -28.111 11.548 -29.751 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -27.705 10.822 -30.659 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -27.462 12.639 -29.361 1.00 0.00 N ATOM 0 H ASN A 68 -27.893 12.198 -27.077 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.087 10.224 -27.245 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -29.995 10.541 -29.616 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.984 12.142 -28.904 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -26.590 12.905 -29.819 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.836 13.211 -28.604 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.392 8.581 -28.723 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.519 7.434 -28.944 1.00 0.00 C ATOM 1020 C LYS A 69 -26.064 7.875 -29.069 1.00 0.00 C ATOM 1021 O LYS A 69 -25.150 7.138 -28.699 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.945 6.680 -30.206 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.520 5.222 -30.215 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.692 4.599 -31.591 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.245 3.145 -31.604 1.00 0.00 C ATOM 1026 NZ LYS A 69 -28.351 2.222 -31.227 1.00 0.00 N ATOM 0 H LYS A 69 -29.182 8.639 -29.366 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.606 6.770 -28.084 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.029 6.734 -30.303 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.521 7.179 -31.078 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.477 5.144 -29.907 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.110 4.666 -29.486 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.738 4.662 -31.892 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.115 5.165 -32.323 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.879 2.886 -32.598 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -26.412 3.015 -30.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -28.007 1.241 -31.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -28.684 2.452 -30.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -29.136 2.328 -31.901 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.858 9.079 -29.590 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.514 9.618 -29.760 1.00 0.00 C ATOM 1042 C ASP A 70 -23.984 10.182 -28.445 1.00 0.00 C ATOM 1043 O ASP A 70 -22.954 9.738 -27.939 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.510 10.706 -30.835 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.523 10.417 -31.949 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -22.310 10.344 -31.662 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -23.964 10.264 -33.107 1.00 0.00 O ATOM 0 H ASP A 70 -26.604 9.700 -29.902 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.860 8.805 -30.075 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.511 10.800 -31.256 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.266 11.664 -30.377 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.695 11.163 -27.899 1.00 0.00 N ATOM 1053 CA GLU A 71 -24.294 11.789 -26.644 1.00 0.00 C ATOM 1054 C GLU A 71 -24.037 10.737 -25.569 1.00 0.00 C ATOM 1055 O GLU A 71 -23.020 10.777 -24.876 1.00 0.00 O ATOM 1056 CB GLU A 71 -25.371 12.766 -26.169 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.703 13.847 -27.184 1.00 0.00 C ATOM 1058 CD GLU A 71 -25.034 15.170 -26.867 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -23.943 15.152 -26.260 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -25.601 16.224 -27.225 1.00 0.00 O ATOM 0 H GLU A 71 -25.551 11.541 -28.305 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.368 12.337 -26.821 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.278 12.208 -25.935 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -25.039 13.238 -25.244 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -25.394 13.516 -28.176 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.783 13.989 -27.218 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.965 9.796 -25.436 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.841 8.732 -24.446 1.00 0.00 C ATOM 1069 C LEU A 72 -23.656 7.827 -24.766 1.00 0.00 C ATOM 1070 O LEU A 72 -22.998 7.307 -23.864 1.00 0.00 O ATOM 1071 CB LEU A 72 -26.128 7.907 -24.390 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.223 8.433 -23.462 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.574 8.401 -24.159 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -27.265 7.623 -22.174 1.00 0.00 C ATOM 0 H LEU A 72 -25.812 9.748 -26.002 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.670 9.193 -23.473 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.536 7.839 -25.398 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.873 6.894 -24.080 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.993 9.468 -23.209 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.341 8.779 -23.483 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.538 9.025 -25.052 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.813 7.376 -24.442 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -28.050 8.011 -21.525 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.471 6.578 -22.408 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.304 7.698 -21.665 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.388 7.644 -26.055 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.282 6.802 -26.494 1.00 0.00 C ATOM 1088 C ARG A 73 -20.943 7.487 -26.237 1.00 0.00 C ATOM 1089 O ARG A 73 -19.914 6.827 -26.086 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.422 6.474 -27.981 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.214 5.758 -28.563 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.609 4.838 -29.708 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.574 3.849 -29.998 1.00 0.00 N ATOM 1094 CZ ARG A 73 -19.469 4.121 -30.683 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -19.257 5.346 -31.145 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -18.574 3.168 -30.906 1.00 0.00 N ATOM 0 H ARG A 73 -23.922 8.068 -26.814 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.313 5.876 -25.920 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.306 5.853 -28.126 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.587 7.398 -28.534 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.491 6.492 -28.918 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.722 5.178 -27.782 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.539 4.327 -29.458 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.802 5.433 -30.601 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.707 2.897 -29.656 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -19.943 6.081 -30.974 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.408 5.553 -31.671 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.734 2.225 -30.551 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.726 3.378 -31.432 1.00 0.00 H new ATOM 1110 N THR A 74 -20.962 8.815 -26.189 1.00 0.00 N ATOM 1111 CA THR A 74 -19.751 9.590 -25.953 1.00 0.00 C ATOM 1112 C THR A 74 -19.391 9.610 -24.472 1.00 0.00 C ATOM 1113 O THR A 74 -18.218 9.523 -24.106 1.00 0.00 O ATOM 1114 CB THR A 74 -19.904 11.039 -26.452 1.00 0.00 C ATOM 1115 OG1 THR A 74 -21.281 11.319 -26.728 1.00 0.00 O ATOM 1116 CG2 THR A 74 -19.073 11.271 -27.705 1.00 0.00 C ATOM 0 H THR A 74 -21.805 9.377 -26.311 1.00 0.00 H new ATOM 0 HA THR A 74 -18.951 9.104 -26.512 1.00 0.00 H new ATOM 0 HB THR A 74 -19.547 11.709 -25.670 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.578 10.779 -27.490 1.00 0.00 H new ATOM 0 HG21 THR A 74 -19.197 12.301 -28.038 1.00 0.00 H new ATOM 0 HG22 THR A 74 -18.022 11.085 -27.484 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.404 10.593 -28.492 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.407 9.724 -23.622 1.00 0.00 N ATOM 1125 CA VAL A 75 -20.197 9.754 -22.180 1.00 0.00 C ATOM 1126 C VAL A 75 -19.847 8.369 -21.647 1.00 0.00 C ATOM 1127 O VAL A 75 -19.053 8.233 -20.716 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.445 10.275 -21.442 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.646 9.389 -21.732 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -21.182 10.358 -19.946 1.00 0.00 C ATOM 0 H VAL A 75 -21.383 9.797 -23.908 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.364 10.433 -21.995 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.668 11.278 -21.805 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.518 9.773 -21.202 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.845 9.385 -22.804 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.437 8.372 -21.398 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -22.074 10.728 -19.440 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.933 9.368 -19.565 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.351 11.038 -19.760 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.444 7.343 -22.244 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.195 5.967 -21.829 1.00 0.00 C ATOM 1142 C CYS A 76 -20.294 5.015 -23.017 1.00 0.00 C ATOM 1143 O CYS A 76 -20.977 5.285 -24.006 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.189 5.552 -20.744 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.921 5.640 -21.255 1.00 0.00 S ATOM 0 H CYS A 76 -21.103 7.438 -23.016 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.184 5.912 -21.425 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.965 4.532 -20.432 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -21.046 6.190 -19.872 1.00 0.00 H new ATOM 0 HG CYS A 76 -23.013 6.316 -22.362 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.596 3.874 -22.921 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.588 2.859 -23.979 1.00 0.00 C ATOM 1153 C PRO A 77 -20.929 2.143 -24.105 1.00 0.00 C ATOM 1154 O PRO A 77 -21.245 1.580 -25.152 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.501 1.882 -23.525 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.441 2.042 -22.045 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.761 3.486 -21.772 1.00 0.00 C ATOM 0 HA PRO A 77 -19.405 3.295 -24.961 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.749 0.857 -23.803 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.542 2.114 -23.987 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.156 1.384 -21.552 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.453 1.782 -21.664 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.294 3.608 -20.829 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.858 4.093 -21.709 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.713 2.170 -23.032 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.019 1.522 -23.024 1.00 0.00 C ATOM 1167 C GLU A 78 -24.123 2.520 -23.365 1.00 0.00 C ATOM 1168 O GLU A 78 -25.284 2.321 -23.013 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.292 0.891 -21.658 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.221 -0.093 -21.217 1.00 0.00 C ATOM 1171 CD GLU A 78 -21.868 -1.095 -22.299 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -22.753 -1.886 -22.687 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -20.706 -1.087 -22.758 1.00 0.00 O ATOM 0 H GLU A 78 -21.467 2.633 -22.157 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.012 0.739 -23.783 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.376 1.682 -20.912 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.254 0.379 -21.689 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.325 0.456 -20.929 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.566 -0.627 -20.331 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.749 3.594 -24.053 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.718 4.607 -24.430 1.00 0.00 C ATOM 1182 C GLY A 79 -25.811 4.059 -25.325 1.00 0.00 C ATOM 1183 O GLY A 79 -26.996 4.278 -25.074 1.00 0.00 O ATOM 0 H GLY A 79 -22.793 3.781 -24.356 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.167 5.029 -23.531 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.207 5.421 -24.943 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.414 3.346 -26.374 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.369 2.765 -27.309 1.00 0.00 C ATOM 1189 C ALA A 80 -27.382 1.886 -26.584 1.00 0.00 C ATOM 1190 O ALA A 80 -28.500 1.689 -27.060 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.641 1.964 -28.378 1.00 0.00 C ATOM 0 H ALA A 80 -24.437 3.157 -26.597 1.00 0.00 H new ATOM 0 HA ALA A 80 -26.912 3.580 -27.788 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.367 1.536 -29.069 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -24.962 2.619 -28.924 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.072 1.162 -27.907 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.983 1.359 -25.431 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.856 0.499 -24.641 1.00 0.00 C ATOM 1199 C ARG A 81 -28.732 1.326 -23.705 1.00 0.00 C ATOM 1200 O ARG A 81 -29.907 1.020 -23.506 1.00 0.00 O ATOM 1201 CB ARG A 81 -27.026 -0.499 -23.831 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.148 -1.397 -24.688 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.833 -2.721 -24.991 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.716 -3.087 -26.400 1.00 0.00 N ATOM 1205 CZ ARG A 81 -27.401 -4.077 -26.962 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -28.249 -4.795 -26.238 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -27.239 -4.350 -28.250 1.00 0.00 N ATOM 0 H ARG A 81 -26.061 1.513 -25.023 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.503 -0.048 -25.327 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.396 0.049 -23.130 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.697 -1.120 -23.238 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.907 -0.889 -25.622 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.205 -1.583 -24.174 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -26.394 -3.506 -24.375 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.887 -2.655 -24.720 1.00 0.00 H new ATOM 0 HE ARG A 81 -26.073 -2.553 -26.985 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -28.376 -4.588 -25.247 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -28.774 -5.555 -26.672 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -26.588 -3.800 -28.810 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -27.765 -5.110 -28.680 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.151 2.375 -23.132 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.878 3.247 -22.217 1.00 0.00 C ATOM 1223 C VAL A 82 -29.948 4.046 -22.953 1.00 0.00 C ATOM 1224 O VAL A 82 -31.090 4.137 -22.503 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.928 4.223 -21.497 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.694 5.067 -20.489 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.799 3.463 -20.819 1.00 0.00 C ATOM 0 H VAL A 82 -27.179 2.642 -23.285 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.354 2.603 -21.477 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.491 4.892 -22.238 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -28.007 5.750 -19.990 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.465 5.640 -21.005 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.160 4.416 -19.749 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.137 4.168 -20.315 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.215 2.769 -20.088 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.234 2.906 -21.567 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.570 4.625 -24.088 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.496 5.419 -24.886 1.00 0.00 C ATOM 1239 C TYR A 83 -31.754 4.620 -25.216 1.00 0.00 C ATOM 1240 O TYR A 83 -32.867 5.142 -25.155 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.820 5.883 -26.177 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.752 6.609 -27.121 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.175 7.905 -26.852 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.211 5.998 -28.282 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.027 8.571 -27.711 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.062 6.657 -29.147 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.467 7.944 -28.858 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.316 8.603 -29.717 1.00 0.00 O ATOM 0 H TYR A 83 -28.629 4.559 -24.475 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.785 6.292 -24.301 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -28.987 6.540 -25.925 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.400 5.017 -26.689 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.832 8.400 -25.956 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -30.897 4.991 -28.511 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.347 9.578 -27.486 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.409 6.168 -30.045 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.529 8.021 -30.476 1.00 0.00 H new ATOM 1258 N SER A 84 -31.567 3.351 -25.565 1.00 0.00 N ATOM 1259 CA SER A 84 -32.684 2.480 -25.908 1.00 0.00 C ATOM 1260 C SER A 84 -33.626 2.312 -24.720 1.00 0.00 C ATOM 1261 O SER A 84 -34.790 1.948 -24.884 1.00 0.00 O ATOM 1262 CB SER A 84 -32.172 1.113 -26.365 1.00 0.00 C ATOM 1263 OG SER A 84 -31.284 1.242 -27.462 1.00 0.00 O ATOM 0 H SER A 84 -30.652 2.904 -25.618 1.00 0.00 H new ATOM 0 HA SER A 84 -33.236 2.944 -26.725 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.664 0.616 -25.538 1.00 0.00 H new ATOM 0 HB3 SER A 84 -33.014 0.481 -26.647 1.00 0.00 H new ATOM 0 HG SER A 84 -30.374 1.392 -27.130 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.113 2.579 -23.523 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.908 2.456 -22.307 1.00 0.00 C ATOM 1271 C GLN A 85 -34.568 3.784 -21.952 1.00 0.00 C ATOM 1272 O GLN A 85 -35.588 3.817 -21.263 1.00 0.00 O ATOM 1273 CB GLN A 85 -33.032 1.983 -21.146 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.722 0.495 -21.185 1.00 0.00 C ATOM 1275 CD GLN A 85 -33.970 -0.358 -21.297 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.486 -0.583 -22.392 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.462 -0.839 -20.161 1.00 0.00 N ATOM 0 H GLN A 85 -32.151 2.882 -23.370 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.690 1.719 -22.487 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -32.096 2.541 -21.157 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.532 2.217 -20.206 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.067 0.286 -22.031 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.177 0.218 -20.283 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.002 -0.627 -19.276 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.300 -1.420 -20.174 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.980 4.877 -22.426 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.513 6.208 -22.160 1.00 0.00 C ATOM 1288 C ILE A 86 -35.571 6.593 -23.188 1.00 0.00 C ATOM 1289 O ILE A 86 -36.545 7.275 -22.868 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.399 7.271 -22.163 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.335 6.930 -21.118 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -33.983 8.651 -21.901 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.014 7.631 -21.350 1.00 0.00 C ATOM 0 H ILE A 86 -33.134 4.867 -22.996 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.968 6.173 -21.170 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.927 7.278 -23.145 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.710 7.196 -20.130 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.170 5.853 -21.117 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.183 9.392 -21.906 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.707 8.893 -22.679 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.478 8.658 -20.930 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.307 7.343 -20.572 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.617 7.346 -22.324 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.165 8.710 -21.321 1.00 0.00 H new ATOM 1305 N THR A 87 -35.375 6.149 -24.425 1.00 0.00 N ATOM 1306 CA THR A 87 -36.312 6.446 -25.501 1.00 0.00 C ATOM 1307 C THR A 87 -37.735 6.058 -25.114 1.00 0.00 C ATOM 1308 O THR A 87 -38.686 6.788 -25.394 1.00 0.00 O ATOM 1309 CB THR A 87 -35.928 5.711 -26.800 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.937 5.916 -27.795 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.754 4.221 -26.547 1.00 0.00 C ATOM 0 H THR A 87 -34.575 5.582 -24.707 1.00 0.00 H new ATOM 0 HA THR A 87 -36.265 7.521 -25.673 1.00 0.00 H new ATOM 0 HB THR A 87 -34.980 6.117 -27.155 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.685 5.447 -28.618 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.483 3.723 -27.478 1.00 0.00 H new ATOM 0 HG22 THR A 87 -34.966 4.067 -25.810 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.688 3.804 -26.171 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.874 4.906 -24.466 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.181 4.422 -24.038 1.00 0.00 C ATOM 1321 C VAL A 88 -39.792 5.346 -22.990 1.00 0.00 C ATOM 1322 O VAL A 88 -41.012 5.410 -22.842 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.091 2.997 -23.461 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.183 2.971 -22.241 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.477 2.474 -23.115 1.00 0.00 C ATOM 0 H VAL A 88 -37.097 4.290 -24.226 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.819 4.408 -24.922 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.660 2.343 -24.219 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.132 1.956 -21.847 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.184 3.301 -22.524 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.582 3.637 -21.476 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.395 1.466 -22.709 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.938 3.127 -22.374 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.093 2.453 -24.014 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.935 6.059 -22.266 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.391 6.979 -21.231 1.00 0.00 C ATOM 1337 C GLN A 89 -39.841 8.303 -21.840 1.00 0.00 C ATOM 1338 O GLN A 89 -40.902 8.827 -21.498 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.278 7.225 -20.211 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.654 5.948 -19.672 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.674 5.021 -19.041 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.713 3.827 -19.341 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.506 5.566 -18.162 1.00 0.00 N ATOM 0 H GLN A 89 -37.922 6.017 -22.377 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.243 6.524 -20.725 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.500 7.832 -20.674 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.680 7.802 -19.379 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -37.147 5.426 -20.483 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.894 6.203 -18.933 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.438 6.560 -17.944 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.214 4.991 -17.705 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.028 8.840 -22.743 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.341 10.103 -23.400 1.00 0.00 C ATOM 1354 C LYS A 90 -40.629 9.990 -24.210 1.00 0.00 C ATOM 1355 O LYS A 90 -41.461 10.896 -24.200 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.188 10.526 -24.313 1.00 0.00 C ATOM 1357 CG LYS A 90 -36.947 10.972 -23.558 1.00 0.00 C ATOM 1358 CD LYS A 90 -35.689 10.771 -24.386 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.652 11.710 -25.581 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.379 11.147 -26.752 1.00 0.00 N ATOM 0 H LYS A 90 -38.146 8.420 -23.037 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.482 10.860 -22.629 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -37.927 9.692 -24.965 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.524 11.340 -24.956 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.042 12.024 -23.289 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -36.865 10.411 -22.627 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -34.811 10.939 -23.762 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -35.641 9.738 -24.732 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.095 12.667 -25.305 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.616 11.906 -25.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -35.817 11.296 -27.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.530 10.128 -26.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.298 11.623 -26.851 1.00 0.00 H new