USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=21 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 26 ASN : amide:sc= -0.0627 K(o=-1.5,f=-2.9!) USER MOD Set 1.2: A 121 TYR OH : rot -130:sc= -1.47 USER MOD Set 2.1: A 63 CYS SG : rot 140:sc= 0.0537 USER MOD Set 2.2: A 106 CYS SG : rot 180:sc= -1.69! USER MOD Set 3.1: A 90 ASN : amide:sc= -5.24! C(o=-6.2!,f=-6.1!) USER MOD Set 3.2: A 107 SER OG : rot 180:sc= -0.952! USER MOD Set 4.1: A 31 MET CE :methyl -167:sc= -0.0532 (180deg=0) USER MOD Set 4.2: A 42 GLN : amide:sc=-0.00643 X(o=-0.06,f=0) USER MOD Set 5.1: A 29 THR OG1 : rot -41:sc= 0.696 USER MOD Set 5.2: A 44 GLN :FLIP amide:sc= -1.05 F(o=-3.5!,f=-0.36) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 38:sc= -0.179! USER MOD Single : A 41 MET CE :methyl -171:sc= 0 (180deg=-0.159) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.784! C(o=-0.78!,f=-11!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -160:sc= 0.00152 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 21:sc= 1.03 USER MOD Single : A 69 SER OG : rot -34:sc= -0.33 USER MOD Single : A 70 SER OG : rot -110:sc= -0.255 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -102:sc= -1.36! USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= -1.03 (180deg=-1.44) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -10:sc= 0.0324 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.9!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.53 K(o=-0.53,f=-1.8!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ -165:sc= 0.00537 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 10.733 -8.460 -17.197 1.00 0.00 N ATOM 375 CA ASP A 24 9.974 -9.581 -16.573 1.00 0.00 C ATOM 376 C ASP A 24 8.655 -9.784 -17.323 1.00 0.00 C ATOM 377 O ASP A 24 8.238 -8.951 -18.102 1.00 0.00 O ATOM 378 CB ASP A 24 9.681 -9.245 -15.110 1.00 0.00 C ATOM 379 CG ASP A 24 9.387 -10.533 -14.339 1.00 0.00 C ATOM 380 OD1 ASP A 24 8.462 -11.231 -14.721 1.00 0.00 O ATOM 381 OD2 ASP A 24 10.091 -10.799 -13.379 1.00 0.00 O ATOM 0 HA ASP A 24 10.566 -10.495 -16.625 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.533 -8.730 -14.667 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.830 -8.567 -15.045 1.00 0.00 H new ATOM 386 N SER A 25 7.997 -10.887 -17.092 1.00 0.00 N ATOM 387 CA SER A 25 6.706 -11.144 -17.789 1.00 0.00 C ATOM 388 C SER A 25 5.544 -10.850 -16.838 1.00 0.00 C ATOM 389 O SER A 25 4.395 -11.081 -17.157 1.00 0.00 O ATOM 390 CB SER A 25 6.645 -12.608 -18.226 1.00 0.00 C ATOM 391 OG SER A 25 7.836 -12.938 -18.929 1.00 0.00 O ATOM 0 H SER A 25 8.298 -11.621 -16.451 1.00 0.00 H new ATOM 0 HA SER A 25 6.633 -10.498 -18.664 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.531 -13.255 -17.356 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.776 -12.774 -18.862 1.00 0.00 H new ATOM 0 HG SER A 25 7.801 -13.876 -19.209 1.00 0.00 H new ATOM 397 N ASN A 26 5.833 -10.342 -15.671 1.00 0.00 N ATOM 398 CA ASN A 26 4.744 -10.035 -14.703 1.00 0.00 C ATOM 399 C ASN A 26 4.721 -8.532 -14.419 1.00 0.00 C ATOM 400 O ASN A 26 4.477 -8.104 -13.308 1.00 0.00 O ATOM 401 CB ASN A 26 4.991 -10.797 -13.399 1.00 0.00 C ATOM 402 CG ASN A 26 4.669 -12.280 -13.604 1.00 0.00 C ATOM 403 OD1 ASN A 26 3.762 -12.621 -14.335 1.00 0.00 O ATOM 404 ND2 ASN A 26 5.381 -13.180 -12.984 1.00 0.00 N ATOM 0 H ASN A 26 6.776 -10.127 -15.347 1.00 0.00 H new ATOM 0 HA ASN A 26 3.786 -10.339 -15.126 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.029 -10.679 -13.088 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.371 -10.386 -12.602 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.176 -14.171 -13.113 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.143 -12.893 -12.370 1.00 0.00 H new ATOM 411 N VAL A 27 4.973 -7.727 -15.415 1.00 0.00 N ATOM 412 CA VAL A 27 4.964 -6.251 -15.202 1.00 0.00 C ATOM 413 C VAL A 27 4.385 -5.563 -16.441 1.00 0.00 C ATOM 414 O VAL A 27 5.069 -5.353 -17.423 1.00 0.00 O ATOM 415 CB VAL A 27 6.394 -5.760 -14.965 1.00 0.00 C ATOM 416 CG1 VAL A 27 6.508 -4.291 -15.375 1.00 0.00 C ATOM 417 CG2 VAL A 27 6.741 -5.901 -13.481 1.00 0.00 C ATOM 0 H VAL A 27 5.185 -8.027 -16.367 1.00 0.00 H new ATOM 0 HA VAL A 27 4.351 -6.012 -14.333 1.00 0.00 H new ATOM 0 HB VAL A 27 7.084 -6.357 -15.561 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.527 -3.944 -15.205 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.261 -4.188 -16.432 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.817 -3.693 -14.781 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.759 -5.552 -13.311 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.049 -5.304 -12.887 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.663 -6.948 -13.187 1.00 0.00 H new ATOM 427 N GLY A 28 3.129 -5.214 -16.402 1.00 0.00 N ATOM 428 CA GLY A 28 2.505 -4.542 -17.578 1.00 0.00 C ATOM 429 C GLY A 28 2.852 -3.052 -17.566 1.00 0.00 C ATOM 430 O GLY A 28 2.735 -2.386 -16.557 1.00 0.00 O ATOM 0 H GLY A 28 2.507 -5.365 -15.607 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.860 -5.000 -18.501 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.423 -4.673 -17.552 1.00 0.00 H new ATOM 434 N THR A 29 3.276 -2.524 -18.682 1.00 0.00 N ATOM 435 CA THR A 29 3.628 -1.078 -18.738 1.00 0.00 C ATOM 436 C THR A 29 2.572 -0.330 -19.555 1.00 0.00 C ATOM 437 O THR A 29 2.177 -0.762 -20.620 1.00 0.00 O ATOM 438 CB THR A 29 4.998 -0.911 -19.402 1.00 0.00 C ATOM 439 OG1 THR A 29 5.990 -1.542 -18.606 1.00 0.00 O ATOM 440 CG2 THR A 29 5.323 0.577 -19.541 1.00 0.00 C ATOM 0 H THR A 29 3.394 -3.033 -19.558 1.00 0.00 H new ATOM 0 HA THR A 29 3.663 -0.672 -17.727 1.00 0.00 H new ATOM 0 HB THR A 29 4.980 -1.370 -20.390 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.818 -1.355 -17.660 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.298 0.694 -20.014 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.562 1.060 -20.154 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.340 1.039 -18.554 1.00 0.00 H new ATOM 448 N GLY A 30 2.113 0.789 -19.066 1.00 0.00 N ATOM 449 CA GLY A 30 1.083 1.563 -19.817 1.00 0.00 C ATOM 450 C GLY A 30 1.455 3.045 -19.813 1.00 0.00 C ATOM 451 O GLY A 30 1.083 3.786 -18.925 1.00 0.00 O ATOM 0 H GLY A 30 2.406 1.201 -18.180 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.014 1.197 -20.842 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.103 1.422 -19.361 1.00 0.00 H new ATOM 455 N MET A 31 2.191 3.485 -20.798 1.00 0.00 N ATOM 456 CA MET A 31 2.587 4.920 -20.846 1.00 0.00 C ATOM 457 C MET A 31 1.831 5.626 -21.974 1.00 0.00 C ATOM 458 O MET A 31 1.821 5.180 -23.104 1.00 0.00 O ATOM 459 CB MET A 31 4.093 5.027 -21.098 1.00 0.00 C ATOM 460 CG MET A 31 4.511 6.498 -21.075 1.00 0.00 C ATOM 461 SD MET A 31 6.021 6.711 -22.050 1.00 0.00 S ATOM 462 CE MET A 31 7.131 7.072 -20.668 1.00 0.00 C ATOM 0 H MET A 31 2.534 2.913 -21.570 1.00 0.00 H new ATOM 0 HA MET A 31 2.342 5.393 -19.895 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.640 4.471 -20.337 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.344 4.582 -22.061 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.713 7.120 -21.480 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.679 6.823 -20.048 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.073 7.464 -21.051 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.669 7.812 -20.014 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.320 6.158 -20.105 1.00 0.00 H new ATOM 472 N VAL A 32 1.202 6.729 -21.673 1.00 0.00 N ATOM 473 CA VAL A 32 0.450 7.471 -22.723 1.00 0.00 C ATOM 474 C VAL A 32 0.851 8.947 -22.680 1.00 0.00 C ATOM 475 O VAL A 32 1.451 9.407 -21.729 1.00 0.00 O ATOM 476 CB VAL A 32 -1.052 7.341 -22.464 1.00 0.00 C ATOM 477 CG1 VAL A 32 -1.371 5.915 -22.014 1.00 0.00 C ATOM 478 CG2 VAL A 32 -1.466 8.325 -21.366 1.00 0.00 C ATOM 0 H VAL A 32 1.177 7.149 -20.744 1.00 0.00 H new ATOM 0 HA VAL A 32 0.684 7.056 -23.704 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.599 7.564 -23.380 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.441 5.823 -21.829 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.075 5.213 -22.793 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.824 5.692 -21.098 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.536 8.234 -21.180 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.918 8.100 -20.451 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.239 9.342 -21.684 1.00 0.00 H new ATOM 488 N GLY A 33 0.530 9.693 -23.701 1.00 0.00 N ATOM 489 CA GLY A 33 0.900 11.137 -23.709 1.00 0.00 C ATOM 490 C GLY A 33 -0.247 11.962 -24.294 1.00 0.00 C ATOM 491 O GLY A 33 -0.667 11.753 -25.414 1.00 0.00 O ATOM 0 H GLY A 33 0.029 9.367 -24.528 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.120 11.471 -22.695 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.805 11.287 -24.298 1.00 0.00 H new ATOM 495 N ALA A 34 -0.756 12.900 -23.542 1.00 0.00 N ATOM 496 CA ALA A 34 -1.874 13.741 -24.053 1.00 0.00 C ATOM 497 C ALA A 34 -1.382 15.179 -24.243 1.00 0.00 C ATOM 498 O ALA A 34 -1.399 15.973 -23.323 1.00 0.00 O ATOM 499 CB ALA A 34 -3.022 13.728 -23.042 1.00 0.00 C ATOM 0 H ALA A 34 -0.445 13.120 -22.596 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.222 13.345 -25.007 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.841 14.343 -23.414 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.371 12.705 -22.901 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.673 14.127 -22.090 1.00 0.00 H new ATOM 505 N PRO A 35 -0.941 15.510 -25.428 1.00 0.00 N ATOM 506 CA PRO A 35 -0.431 16.873 -25.744 1.00 0.00 C ATOM 507 C PRO A 35 -1.564 17.880 -25.965 1.00 0.00 C ATOM 508 O PRO A 35 -1.505 18.712 -26.849 1.00 0.00 O ATOM 509 CB PRO A 35 0.367 16.671 -27.031 1.00 0.00 C ATOM 510 CG PRO A 35 -0.234 15.476 -27.696 1.00 0.00 C ATOM 511 CD PRO A 35 -0.880 14.621 -26.600 1.00 0.00 C ATOM 0 HA PRO A 35 0.160 17.285 -24.926 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.304 17.550 -27.673 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.423 16.509 -26.816 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.976 15.780 -28.434 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.529 14.907 -28.227 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.874 14.283 -26.894 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.289 13.729 -26.392 1.00 0.00 H new ATOM 519 N ALA A 36 -2.594 17.812 -25.166 1.00 0.00 N ATOM 520 CA ALA A 36 -3.728 18.765 -25.329 1.00 0.00 C ATOM 521 C ALA A 36 -4.298 19.120 -23.954 1.00 0.00 C ATOM 522 O ALA A 36 -4.646 20.254 -23.690 1.00 0.00 O ATOM 523 CB ALA A 36 -4.820 18.120 -26.185 1.00 0.00 C ATOM 0 H ALA A 36 -2.699 17.138 -24.408 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.372 19.671 -25.819 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.649 18.818 -26.304 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.414 17.869 -27.165 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.176 17.213 -25.697 1.00 0.00 H new ATOM 529 N CYS A 37 -4.400 18.160 -23.075 1.00 0.00 N ATOM 530 CA CYS A 37 -4.949 18.448 -21.719 1.00 0.00 C ATOM 531 C CYS A 37 -4.693 17.255 -20.796 1.00 0.00 C ATOM 532 O CYS A 37 -4.492 17.411 -19.607 1.00 0.00 O ATOM 533 CB CYS A 37 -6.454 18.698 -21.823 1.00 0.00 C ATOM 534 SG CYS A 37 -6.755 20.463 -22.088 1.00 0.00 S ATOM 0 H CYS A 37 -4.127 17.190 -23.237 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.459 19.332 -21.310 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.874 18.119 -22.646 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.953 18.366 -20.912 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.845 20.944 -22.883 1.00 0.00 H new ATOM 540 N GLY A 38 -4.701 16.065 -21.329 1.00 0.00 N ATOM 541 CA GLY A 38 -4.459 14.866 -20.477 1.00 0.00 C ATOM 542 C GLY A 38 -3.022 14.893 -19.954 1.00 0.00 C ATOM 543 O GLY A 38 -2.689 14.231 -18.992 1.00 0.00 O ATOM 0 H GLY A 38 -4.864 15.870 -22.317 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.161 14.852 -19.643 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.630 13.957 -21.053 1.00 0.00 H new ATOM 547 N ASP A 39 -2.166 15.653 -20.584 1.00 0.00 N ATOM 548 CA ASP A 39 -0.751 15.721 -20.125 1.00 0.00 C ATOM 549 C ASP A 39 -0.118 14.331 -20.217 1.00 0.00 C ATOM 550 O ASP A 39 -0.679 13.422 -20.798 1.00 0.00 O ATOM 551 CB ASP A 39 -0.707 16.209 -18.676 1.00 0.00 C ATOM 552 CG ASP A 39 -0.426 17.713 -18.652 1.00 0.00 C ATOM 553 OD1 ASP A 39 0.471 18.137 -19.361 1.00 0.00 O ATOM 554 OD2 ASP A 39 -1.113 18.413 -17.926 1.00 0.00 O ATOM 0 H ASP A 39 -2.387 16.229 -21.396 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.197 16.414 -20.757 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.655 15.997 -18.181 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.067 15.675 -18.125 1.00 0.00 H new ATOM 559 N VAL A 40 1.044 14.157 -19.651 1.00 0.00 N ATOM 560 CA VAL A 40 1.706 12.822 -19.710 1.00 0.00 C ATOM 561 C VAL A 40 1.217 11.959 -18.546 1.00 0.00 C ATOM 562 O VAL A 40 1.034 12.433 -17.443 1.00 0.00 O ATOM 563 CB VAL A 40 3.222 12.998 -19.614 1.00 0.00 C ATOM 564 CG1 VAL A 40 3.876 11.644 -19.329 1.00 0.00 C ATOM 565 CG2 VAL A 40 3.753 13.552 -20.937 1.00 0.00 C ATOM 0 H VAL A 40 1.563 14.879 -19.151 1.00 0.00 H new ATOM 0 HA VAL A 40 1.457 12.335 -20.653 1.00 0.00 H new ATOM 0 HB VAL A 40 3.458 13.692 -18.807 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.957 11.769 -19.261 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.496 11.248 -18.387 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.642 10.950 -20.136 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.834 13.678 -20.871 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.517 12.857 -21.743 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.287 14.516 -21.141 1.00 0.00 H new ATOM 575 N MET A 41 1.002 10.694 -18.785 1.00 0.00 N ATOM 576 CA MET A 41 0.521 9.803 -17.694 1.00 0.00 C ATOM 577 C MET A 41 1.181 8.429 -17.825 1.00 0.00 C ATOM 578 O MET A 41 1.119 7.795 -18.860 1.00 0.00 O ATOM 579 CB MET A 41 -0.997 9.652 -17.794 1.00 0.00 C ATOM 580 CG MET A 41 -1.521 8.912 -16.563 1.00 0.00 C ATOM 581 SD MET A 41 -2.704 7.642 -17.080 1.00 0.00 S ATOM 582 CE MET A 41 -3.198 7.102 -15.425 1.00 0.00 C ATOM 0 H MET A 41 1.139 10.240 -19.688 1.00 0.00 H new ATOM 0 HA MET A 41 0.781 10.238 -16.729 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.466 10.633 -17.868 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.259 9.104 -18.699 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.693 8.454 -16.021 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.000 9.614 -15.880 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.812 6.205 -15.503 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.309 6.882 -14.833 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.770 7.893 -14.940 1.00 0.00 H new ATOM 592 N GLN A 42 1.812 7.963 -16.782 1.00 0.00 N ATOM 593 CA GLN A 42 2.474 6.629 -16.843 1.00 0.00 C ATOM 594 C GLN A 42 1.877 5.718 -15.767 1.00 0.00 C ATOM 595 O GLN A 42 2.034 5.953 -14.586 1.00 0.00 O ATOM 596 CB GLN A 42 3.975 6.796 -16.596 1.00 0.00 C ATOM 597 CG GLN A 42 4.608 5.427 -16.340 1.00 0.00 C ATOM 598 CD GLN A 42 6.128 5.577 -16.255 1.00 0.00 C ATOM 599 OE1 GLN A 42 6.687 5.611 -15.177 1.00 0.00 O ATOM 600 NE2 GLN A 42 6.825 5.667 -17.354 1.00 0.00 N ATOM 0 H GLN A 42 1.898 8.449 -15.889 1.00 0.00 H new ATOM 0 HA GLN A 42 2.315 6.185 -17.826 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.445 7.270 -17.458 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.143 7.451 -15.741 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.221 5.003 -15.413 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.344 4.737 -17.141 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.356 5.638 -18.259 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.839 5.766 -17.308 1.00 0.00 H new ATOM 609 N LEU A 43 1.187 4.684 -16.166 1.00 0.00 N ATOM 610 CA LEU A 43 0.577 3.766 -15.163 1.00 0.00 C ATOM 611 C LEU A 43 1.093 2.342 -15.379 1.00 0.00 C ATOM 612 O LEU A 43 0.719 1.672 -16.321 1.00 0.00 O ATOM 613 CB LEU A 43 -0.945 3.784 -15.318 1.00 0.00 C ATOM 614 CG LEU A 43 -1.566 2.724 -14.404 1.00 0.00 C ATOM 615 CD1 LEU A 43 -2.656 3.365 -13.544 1.00 0.00 C ATOM 616 CD2 LEU A 43 -2.182 1.611 -15.256 1.00 0.00 C ATOM 0 H LEU A 43 1.020 4.436 -17.141 1.00 0.00 H new ATOM 0 HA LEU A 43 0.849 4.098 -14.161 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.335 4.770 -15.066 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.218 3.589 -16.355 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.793 2.305 -13.760 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.098 2.610 -12.894 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.220 4.158 -12.936 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.428 3.785 -14.189 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.624 0.857 -14.605 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.954 2.031 -15.901 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.407 1.152 -15.870 1.00 0.00 H new ATOM 628 N GLN A 44 1.945 1.872 -14.509 1.00 0.00 N ATOM 629 CA GLN A 44 2.477 0.489 -14.657 1.00 0.00 C ATOM 630 C GLN A 44 1.892 -0.392 -13.553 1.00 0.00 C ATOM 631 O GLN A 44 1.933 -0.050 -12.388 1.00 0.00 O ATOM 632 CB GLN A 44 4.001 0.510 -14.540 1.00 0.00 C ATOM 633 CG GLN A 44 4.506 -0.893 -14.197 1.00 0.00 C ATOM 634 CD GLN A 44 5.968 -1.031 -14.626 1.00 0.00 C ATOM 635 OE1 GLN A 44 6.250 -1.571 -15.780 1.00 0.00 O flip ATOM 636 NE2 GLN A 44 6.865 -0.643 -13.902 1.00 0.00 N flip ATOM 0 H GLN A 44 2.296 2.387 -13.702 1.00 0.00 H new ATOM 0 HA GLN A 44 2.198 0.091 -15.633 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.444 0.848 -15.477 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.307 1.217 -13.769 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.412 -1.073 -13.126 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.896 -1.643 -14.701 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.646 -0.221 -13.000 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.837 -0.740 -14.197 1.00 0.00 H new ATOM 645 N ILE A 45 1.343 -1.521 -13.905 1.00 0.00 N ATOM 646 CA ILE A 45 0.752 -2.414 -12.868 1.00 0.00 C ATOM 647 C ILE A 45 1.606 -3.677 -12.727 1.00 0.00 C ATOM 648 O ILE A 45 2.155 -4.178 -13.688 1.00 0.00 O ATOM 649 CB ILE A 45 -0.669 -2.799 -13.279 1.00 0.00 C ATOM 650 CG1 ILE A 45 -0.673 -3.257 -14.741 1.00 0.00 C ATOM 651 CG2 ILE A 45 -1.592 -1.590 -13.123 1.00 0.00 C ATOM 652 CD1 ILE A 45 -1.510 -4.530 -14.873 1.00 0.00 C ATOM 0 H ILE A 45 1.278 -1.864 -14.863 1.00 0.00 H new ATOM 0 HA ILE A 45 0.725 -1.891 -11.912 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.022 -3.610 -12.642 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.081 -2.473 -15.378 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.347 -3.443 -15.078 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.605 -1.865 -13.416 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.591 -1.264 -12.083 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.238 -0.778 -13.758 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.514 -4.857 -15.913 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.082 -5.313 -14.248 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.532 -4.328 -14.553 1.00 0.00 H new ATOM 664 N LYS A 46 1.720 -4.193 -11.533 1.00 0.00 N ATOM 665 CA LYS A 46 2.536 -5.423 -11.325 1.00 0.00 C ATOM 666 C LYS A 46 1.608 -6.602 -11.024 1.00 0.00 C ATOM 667 O LYS A 46 0.645 -6.475 -10.294 1.00 0.00 O ATOM 668 CB LYS A 46 3.488 -5.209 -10.145 1.00 0.00 C ATOM 669 CG LYS A 46 4.231 -6.513 -9.843 1.00 0.00 C ATOM 670 CD LYS A 46 5.255 -6.275 -8.730 1.00 0.00 C ATOM 671 CE LYS A 46 4.852 -7.065 -7.482 1.00 0.00 C ATOM 672 NZ LYS A 46 5.999 -7.107 -6.530 1.00 0.00 N ATOM 0 H LYS A 46 1.283 -3.815 -10.692 1.00 0.00 H new ATOM 0 HA LYS A 46 3.114 -5.634 -12.225 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.201 -4.418 -10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.929 -4.885 -9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.523 -7.285 -9.541 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.732 -6.874 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.246 -6.582 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.313 -5.212 -8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.988 -6.600 -7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.557 -8.077 -7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.727 -7.643 -5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.812 -7.569 -6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.260 -6.138 -6.258 1.00 0.00 H new ATOM 686 N VAL A 47 1.891 -7.748 -11.580 1.00 0.00 N ATOM 687 CA VAL A 47 1.024 -8.933 -11.325 1.00 0.00 C ATOM 688 C VAL A 47 1.815 -9.986 -10.544 1.00 0.00 C ATOM 689 O VAL A 47 3.022 -10.073 -10.650 1.00 0.00 O ATOM 690 CB VAL A 47 0.565 -9.527 -12.658 1.00 0.00 C ATOM 691 CG1 VAL A 47 -0.198 -10.828 -12.400 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.352 -8.530 -13.373 1.00 0.00 C ATOM 0 H VAL A 47 2.684 -7.915 -12.199 1.00 0.00 H new ATOM 0 HA VAL A 47 0.154 -8.627 -10.745 1.00 0.00 H new ATOM 0 HB VAL A 47 1.434 -9.733 -13.283 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.526 -11.252 -13.349 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.454 -11.538 -11.891 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.067 -10.622 -11.775 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.679 -8.953 -14.323 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.222 -8.323 -12.749 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.191 -7.603 -13.557 1.00 0.00 H new ATOM 702 N ASP A 48 1.144 -10.786 -9.760 1.00 0.00 N ATOM 703 CA ASP A 48 1.859 -11.830 -8.974 1.00 0.00 C ATOM 704 C ASP A 48 2.120 -13.049 -9.861 1.00 0.00 C ATOM 705 O ASP A 48 3.219 -13.562 -9.922 1.00 0.00 O ATOM 706 CB ASP A 48 1.002 -12.247 -7.778 1.00 0.00 C ATOM 707 CG ASP A 48 1.893 -12.885 -6.709 1.00 0.00 C ATOM 708 OD1 ASP A 48 3.070 -12.567 -6.680 1.00 0.00 O ATOM 709 OD2 ASP A 48 1.381 -13.681 -5.938 1.00 0.00 O ATOM 0 H ASP A 48 0.133 -10.761 -9.630 1.00 0.00 H new ATOM 0 HA ASP A 48 2.808 -11.428 -8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.486 -11.379 -7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.234 -12.953 -8.096 1.00 0.00 H new ATOM 714 N ASP A 49 1.115 -13.516 -10.549 1.00 0.00 N ATOM 715 CA ASP A 49 1.302 -14.701 -11.431 1.00 0.00 C ATOM 716 C ASP A 49 -0.063 -15.304 -11.759 1.00 0.00 C ATOM 717 O ASP A 49 -0.227 -15.999 -12.743 1.00 0.00 O ATOM 718 CB ASP A 49 2.160 -15.743 -10.711 1.00 0.00 C ATOM 719 CG ASP A 49 1.892 -15.672 -9.206 1.00 0.00 C ATOM 720 OD1 ASP A 49 0.924 -15.036 -8.825 1.00 0.00 O ATOM 721 OD2 ASP A 49 2.661 -16.256 -8.459 1.00 0.00 O ATOM 0 H ASP A 49 0.172 -13.128 -10.538 1.00 0.00 H new ATOM 0 HA ASP A 49 1.799 -14.397 -12.352 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.930 -16.741 -11.086 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.216 -15.562 -10.912 1.00 0.00 H new ATOM 726 N ASN A 50 -1.046 -15.043 -10.942 1.00 0.00 N ATOM 727 CA ASN A 50 -2.402 -15.602 -11.206 1.00 0.00 C ATOM 728 C ASN A 50 -3.298 -14.510 -11.795 1.00 0.00 C ATOM 729 O ASN A 50 -4.506 -14.552 -11.674 1.00 0.00 O ATOM 730 CB ASN A 50 -3.009 -16.107 -9.895 1.00 0.00 C ATOM 731 CG ASN A 50 -2.788 -15.066 -8.796 1.00 0.00 C ATOM 732 OD1 ASN A 50 -2.136 -14.065 -9.013 1.00 0.00 O ATOM 733 ND2 ASN A 50 -3.309 -15.262 -7.615 1.00 0.00 N ATOM 0 H ASN A 50 -0.969 -14.467 -10.104 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.323 -16.428 -11.913 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.075 -16.295 -10.024 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.551 -17.054 -9.611 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.168 -14.574 -6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.857 -16.103 -7.432 1.00 0.00 H new ATOM 740 N GLY A 51 -2.715 -13.532 -12.432 1.00 0.00 N ATOM 741 CA GLY A 51 -3.533 -12.439 -13.030 1.00 0.00 C ATOM 742 C GLY A 51 -3.963 -11.462 -11.933 1.00 0.00 C ATOM 743 O GLY A 51 -4.567 -10.442 -12.200 1.00 0.00 O ATOM 0 H GLY A 51 -1.708 -13.442 -12.564 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.957 -11.915 -13.792 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.410 -12.856 -13.524 1.00 0.00 H new ATOM 747 N ILE A 52 -3.655 -11.763 -10.702 1.00 0.00 N ATOM 748 CA ILE A 52 -4.048 -10.848 -9.593 1.00 0.00 C ATOM 749 C ILE A 52 -3.040 -9.701 -9.501 1.00 0.00 C ATOM 750 O ILE A 52 -1.866 -9.870 -9.763 1.00 0.00 O ATOM 751 CB ILE A 52 -4.063 -11.621 -8.274 1.00 0.00 C ATOM 752 CG1 ILE A 52 -5.119 -12.726 -8.344 1.00 0.00 C ATOM 753 CG2 ILE A 52 -4.404 -10.667 -7.128 1.00 0.00 C ATOM 754 CD1 ILE A 52 -6.480 -12.109 -8.677 1.00 0.00 C ATOM 0 H ILE A 52 -3.149 -12.601 -10.416 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.042 -10.445 -9.788 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.082 -12.063 -8.101 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.844 -13.459 -9.103 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.171 -13.256 -7.393 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.415 -11.218 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.655 -9.877 -7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.386 -10.226 -7.302 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.233 -12.895 -8.727 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.754 -11.393 -7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.423 -11.599 -9.639 1.00 0.00 H new ATOM 766 N ILE A 53 -3.490 -8.531 -9.132 1.00 0.00 N ATOM 767 CA ILE A 53 -2.556 -7.376 -9.026 1.00 0.00 C ATOM 768 C ILE A 53 -2.077 -7.235 -7.580 1.00 0.00 C ATOM 769 O ILE A 53 -2.821 -6.839 -6.706 1.00 0.00 O ATOM 770 CB ILE A 53 -3.277 -6.094 -9.446 1.00 0.00 C ATOM 771 CG1 ILE A 53 -3.688 -6.198 -10.917 1.00 0.00 C ATOM 772 CG2 ILE A 53 -2.342 -4.895 -9.260 1.00 0.00 C ATOM 773 CD1 ILE A 53 -4.617 -5.035 -11.270 1.00 0.00 C ATOM 0 H ILE A 53 -4.462 -8.327 -8.900 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.700 -7.545 -9.679 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.165 -5.959 -8.829 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.804 -6.178 -11.555 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.191 -7.148 -11.099 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.857 -3.982 -9.560 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.050 -4.820 -8.212 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.452 -5.028 -9.875 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.910 -5.108 -12.317 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.506 -5.076 -10.641 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.098 -4.091 -11.104 1.00 0.00 H new ATOM 785 N GLU A 54 -0.837 -7.552 -7.322 1.00 0.00 N ATOM 786 CA GLU A 54 -0.313 -7.431 -5.933 1.00 0.00 C ATOM 787 C GLU A 54 -0.033 -5.959 -5.627 1.00 0.00 C ATOM 788 O GLU A 54 -0.364 -5.459 -4.570 1.00 0.00 O ATOM 789 CB GLU A 54 0.983 -8.233 -5.806 1.00 0.00 C ATOM 790 CG GLU A 54 1.028 -8.920 -4.439 1.00 0.00 C ATOM 791 CD GLU A 54 1.023 -7.861 -3.335 1.00 0.00 C ATOM 792 OE1 GLU A 54 -0.056 -7.481 -2.910 1.00 0.00 O ATOM 793 OE2 GLU A 54 2.098 -7.448 -2.932 1.00 0.00 O ATOM 0 H GLU A 54 -0.166 -7.889 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.049 -7.818 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.042 -8.977 -6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.843 -7.574 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.171 -9.583 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.922 -9.538 -4.360 1.00 0.00 H new ATOM 800 N ASP A 55 0.571 -5.259 -6.547 1.00 0.00 N ATOM 801 CA ASP A 55 0.870 -3.819 -6.314 1.00 0.00 C ATOM 802 C ASP A 55 0.560 -3.027 -7.585 1.00 0.00 C ATOM 803 O ASP A 55 0.407 -3.586 -8.653 1.00 0.00 O ATOM 804 CB ASP A 55 2.350 -3.656 -5.960 1.00 0.00 C ATOM 805 CG ASP A 55 2.584 -2.263 -5.372 1.00 0.00 C ATOM 806 OD1 ASP A 55 2.004 -1.973 -4.338 1.00 0.00 O ATOM 807 OD2 ASP A 55 3.340 -1.511 -5.963 1.00 0.00 O ATOM 0 H ASP A 55 0.871 -5.623 -7.451 1.00 0.00 H new ATOM 0 HA ASP A 55 0.258 -3.447 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.650 -4.420 -5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.965 -3.795 -6.849 1.00 0.00 H new ATOM 812 N ALA A 56 0.462 -1.731 -7.481 1.00 0.00 N ATOM 813 CA ALA A 56 0.159 -0.910 -8.687 1.00 0.00 C ATOM 814 C ALA A 56 1.064 0.322 -8.708 1.00 0.00 C ATOM 815 O ALA A 56 1.028 1.148 -7.817 1.00 0.00 O ATOM 816 CB ALA A 56 -1.305 -0.469 -8.649 1.00 0.00 C ATOM 0 H ALA A 56 0.578 -1.205 -6.615 1.00 0.00 H new ATOM 0 HA ALA A 56 0.336 -1.504 -9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.527 0.132 -9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.950 -1.348 -8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.483 0.124 -7.752 1.00 0.00 H new ATOM 822 N LYS A 57 1.876 0.455 -9.720 1.00 0.00 N ATOM 823 CA LYS A 57 2.782 1.634 -9.800 1.00 0.00 C ATOM 824 C LYS A 57 2.139 2.713 -10.673 1.00 0.00 C ATOM 825 O LYS A 57 1.632 2.439 -11.742 1.00 0.00 O ATOM 826 CB LYS A 57 4.116 1.208 -10.414 1.00 0.00 C ATOM 827 CG LYS A 57 5.136 2.335 -10.245 1.00 0.00 C ATOM 828 CD LYS A 57 6.124 1.966 -9.137 1.00 0.00 C ATOM 829 CE LYS A 57 7.043 3.155 -8.854 1.00 0.00 C ATOM 830 NZ LYS A 57 7.585 3.047 -7.470 1.00 0.00 N ATOM 0 H LYS A 57 1.951 -0.203 -10.496 1.00 0.00 H new ATOM 0 HA LYS A 57 2.952 2.032 -8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.478 0.300 -9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.985 0.977 -11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.669 2.501 -11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.627 3.267 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.584 1.687 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.714 1.100 -9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.860 3.176 -9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.493 4.089 -8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.210 3.856 -7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.799 3.047 -6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.124 2.163 -7.376 1.00 0.00 H new ATOM 844 N PHE A 58 2.155 3.939 -10.227 1.00 0.00 N ATOM 845 CA PHE A 58 1.546 5.036 -11.033 1.00 0.00 C ATOM 846 C PHE A 58 2.477 6.249 -11.026 1.00 0.00 C ATOM 847 O PHE A 58 3.430 6.306 -10.274 1.00 0.00 O ATOM 848 CB PHE A 58 0.195 5.424 -10.428 1.00 0.00 C ATOM 849 CG PHE A 58 0.413 6.049 -9.071 1.00 0.00 C ATOM 850 CD1 PHE A 58 0.859 5.262 -8.002 1.00 0.00 C ATOM 851 CD2 PHE A 58 0.167 7.413 -8.881 1.00 0.00 C ATOM 852 CE1 PHE A 58 1.061 5.841 -6.743 1.00 0.00 C ATOM 853 CE2 PHE A 58 0.368 7.992 -7.622 1.00 0.00 C ATOM 854 CZ PHE A 58 0.815 7.206 -6.553 1.00 0.00 C ATOM 0 H PHE A 58 2.564 4.229 -9.339 1.00 0.00 H new ATOM 0 HA PHE A 58 1.399 4.697 -12.058 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.322 6.124 -11.084 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.441 4.544 -10.337 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.047 4.209 -8.148 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.178 8.019 -9.705 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.406 5.235 -5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.178 9.045 -7.476 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.970 7.653 -5.582 1.00 0.00 H new ATOM 864 N LYS A 59 2.213 7.220 -11.858 1.00 0.00 N ATOM 865 CA LYS A 59 3.088 8.426 -11.892 1.00 0.00 C ATOM 866 C LYS A 59 2.463 9.495 -12.792 1.00 0.00 C ATOM 867 O LYS A 59 2.501 9.401 -14.003 1.00 0.00 O ATOM 868 CB LYS A 59 4.465 8.044 -12.441 1.00 0.00 C ATOM 869 CG LYS A 59 5.483 9.117 -12.054 1.00 0.00 C ATOM 870 CD LYS A 59 6.788 8.886 -12.819 1.00 0.00 C ATOM 871 CE LYS A 59 7.964 9.413 -11.995 1.00 0.00 C ATOM 872 NZ LYS A 59 9.200 9.398 -12.828 1.00 0.00 N ATOM 0 H LYS A 59 1.432 7.230 -12.514 1.00 0.00 H new ATOM 0 HA LYS A 59 3.193 8.820 -10.881 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.771 7.076 -12.043 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.421 7.943 -13.525 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.087 10.107 -12.281 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.669 9.086 -10.980 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.920 7.823 -13.021 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.751 9.392 -13.784 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.756 10.426 -11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.104 8.798 -11.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.000 9.756 -12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.400 8.425 -13.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.063 10.003 -13.663 1.00 0.00 H new ATOM 886 N THR A 60 1.894 10.514 -12.209 1.00 0.00 N ATOM 887 CA THR A 60 1.272 11.592 -13.030 1.00 0.00 C ATOM 888 C THR A 60 2.271 12.740 -13.188 1.00 0.00 C ATOM 889 O THR A 60 3.075 13.000 -12.315 1.00 0.00 O ATOM 890 CB THR A 60 0.010 12.102 -12.332 1.00 0.00 C ATOM 891 OG1 THR A 60 0.314 12.418 -10.980 1.00 0.00 O ATOM 892 CG2 THR A 60 -1.072 11.024 -12.378 1.00 0.00 C ATOM 0 H THR A 60 1.833 10.647 -11.200 1.00 0.00 H new ATOM 0 HA THR A 60 1.006 11.200 -14.012 1.00 0.00 H new ATOM 0 HB THR A 60 -0.352 12.996 -12.841 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.513 12.436 -10.454 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.970 11.389 -11.880 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.304 10.785 -13.416 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.715 10.128 -11.871 1.00 0.00 H new ATOM 900 N TYR A 61 2.232 13.428 -14.296 1.00 0.00 N ATOM 901 CA TYR A 61 3.186 14.554 -14.504 1.00 0.00 C ATOM 902 C TYR A 61 2.674 15.464 -15.623 1.00 0.00 C ATOM 903 O TYR A 61 2.641 15.085 -16.777 1.00 0.00 O ATOM 904 CB TYR A 61 4.555 13.990 -14.891 1.00 0.00 C ATOM 905 CG TYR A 61 5.636 14.954 -14.467 1.00 0.00 C ATOM 906 CD1 TYR A 61 6.034 15.013 -13.127 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.242 15.787 -15.415 1.00 0.00 C ATOM 908 CE1 TYR A 61 7.037 15.907 -12.733 1.00 0.00 C ATOM 909 CE2 TYR A 61 7.245 16.681 -15.023 1.00 0.00 C ATOM 910 CZ TYR A 61 7.643 16.741 -13.682 1.00 0.00 C ATOM 911 OH TYR A 61 8.632 17.622 -13.295 1.00 0.00 O ATOM 0 H TYR A 61 1.583 13.260 -15.064 1.00 0.00 H new ATOM 0 HA TYR A 61 3.273 15.131 -13.583 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.709 13.022 -14.414 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.601 13.826 -15.968 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.567 14.369 -12.396 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.935 15.740 -16.449 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.343 15.954 -11.698 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.712 17.324 -15.754 1.00 0.00 H new ATOM 0 HH TYR A 61 8.946 18.124 -14.076 1.00 0.00 H new ATOM 921 N GLY A 62 2.276 16.662 -15.292 1.00 0.00 N ATOM 922 CA GLY A 62 1.772 17.595 -16.340 1.00 0.00 C ATOM 923 C GLY A 62 0.435 18.194 -15.898 1.00 0.00 C ATOM 924 O GLY A 62 0.180 19.367 -16.084 1.00 0.00 O ATOM 0 H GLY A 62 2.278 17.035 -14.343 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.498 18.389 -16.513 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.649 17.064 -17.284 1.00 0.00 H new ATOM 928 N CYS A 63 -0.422 17.399 -15.317 1.00 0.00 N ATOM 929 CA CYS A 63 -1.742 17.929 -14.869 1.00 0.00 C ATOM 930 C CYS A 63 -1.731 18.120 -13.351 1.00 0.00 C ATOM 931 O CYS A 63 -1.519 17.189 -12.600 1.00 0.00 O ATOM 932 CB CYS A 63 -2.844 16.939 -15.250 1.00 0.00 C ATOM 933 SG CYS A 63 -4.422 17.502 -14.564 1.00 0.00 S ATOM 0 H CYS A 63 -0.266 16.408 -15.133 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.930 18.888 -15.352 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.915 16.857 -16.335 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.603 15.946 -14.870 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.369 17.301 -15.432 1.00 0.00 H new ATOM 939 N GLY A 64 -1.962 19.321 -12.894 1.00 0.00 N ATOM 940 CA GLY A 64 -1.970 19.570 -11.426 1.00 0.00 C ATOM 941 C GLY A 64 -3.407 19.497 -10.911 1.00 0.00 C ATOM 942 O GLY A 64 -3.855 20.347 -10.166 1.00 0.00 O ATOM 0 H GLY A 64 -2.145 20.140 -13.474 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.351 18.832 -10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.543 20.549 -11.209 1.00 0.00 H new ATOM 946 N SER A 65 -4.136 18.489 -11.303 1.00 0.00 N ATOM 947 CA SER A 65 -5.545 18.362 -10.840 1.00 0.00 C ATOM 948 C SER A 65 -5.991 16.904 -10.969 1.00 0.00 C ATOM 949 O SER A 65 -7.014 16.510 -10.448 1.00 0.00 O ATOM 950 CB SER A 65 -6.445 19.248 -11.701 1.00 0.00 C ATOM 951 OG SER A 65 -6.375 20.587 -11.229 1.00 0.00 O ATOM 0 H SER A 65 -3.816 17.747 -11.925 1.00 0.00 H new ATOM 0 HA SER A 65 -5.617 18.675 -9.798 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.131 19.201 -12.744 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.474 18.889 -11.661 1.00 0.00 H new ATOM 0 HG SER A 65 -5.555 20.707 -10.706 1.00 0.00 H new ATOM 957 N ALA A 66 -5.231 16.102 -11.662 1.00 0.00 N ATOM 958 CA ALA A 66 -5.612 14.672 -11.826 1.00 0.00 C ATOM 959 C ALA A 66 -4.983 13.843 -10.703 1.00 0.00 C ATOM 960 O ALA A 66 -5.323 12.695 -10.501 1.00 0.00 O ATOM 961 CB ALA A 66 -5.109 14.163 -13.179 1.00 0.00 C ATOM 0 H ALA A 66 -4.363 16.376 -12.122 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.697 14.578 -11.782 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.387 13.116 -13.300 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.557 14.753 -13.979 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.024 14.257 -13.223 1.00 0.00 H new ATOM 967 N ILE A 67 -4.070 14.417 -9.969 1.00 0.00 N ATOM 968 CA ILE A 67 -3.423 13.661 -8.859 1.00 0.00 C ATOM 969 C ILE A 67 -4.503 12.981 -8.016 1.00 0.00 C ATOM 970 O ILE A 67 -4.303 11.908 -7.481 1.00 0.00 O ATOM 971 CB ILE A 67 -2.615 14.627 -7.984 1.00 0.00 C ATOM 972 CG1 ILE A 67 -1.187 14.740 -8.527 1.00 0.00 C ATOM 973 CG2 ILE A 67 -2.566 14.107 -6.546 1.00 0.00 C ATOM 974 CD1 ILE A 67 -1.182 15.610 -9.785 1.00 0.00 C ATOM 0 H ILE A 67 -3.744 15.376 -10.089 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.754 12.905 -9.271 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.093 15.606 -8.000 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.533 15.174 -7.770 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.795 13.749 -8.757 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.991 14.797 -5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.580 14.027 -6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.093 13.125 -6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.165 15.689 -10.169 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.822 15.158 -10.543 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.556 16.605 -9.541 1.00 0.00 H new ATOM 986 N ALA A 68 -5.647 13.595 -7.893 1.00 0.00 N ATOM 987 CA ALA A 68 -6.738 12.982 -7.086 1.00 0.00 C ATOM 988 C ALA A 68 -7.279 11.749 -7.812 1.00 0.00 C ATOM 989 O ALA A 68 -7.543 10.726 -7.211 1.00 0.00 O ATOM 990 CB ALA A 68 -7.866 13.999 -6.896 1.00 0.00 C ATOM 0 H ALA A 68 -5.873 14.495 -8.317 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.347 12.687 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.665 13.550 -6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.481 14.877 -6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.257 14.295 -7.870 1.00 0.00 H new ATOM 996 N SER A 69 -7.445 11.837 -9.105 1.00 0.00 N ATOM 997 CA SER A 69 -7.967 10.670 -9.870 1.00 0.00 C ATOM 998 C SER A 69 -6.932 9.543 -9.844 1.00 0.00 C ATOM 999 O SER A 69 -7.169 8.483 -9.299 1.00 0.00 O ATOM 1000 CB SER A 69 -8.228 11.087 -11.318 1.00 0.00 C ATOM 1001 OG SER A 69 -7.081 11.755 -11.828 1.00 0.00 O ATOM 0 H SER A 69 -7.242 12.666 -9.663 1.00 0.00 H new ATOM 0 HA SER A 69 -8.896 10.323 -9.418 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.453 10.211 -11.926 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.097 11.742 -11.369 1.00 0.00 H new ATOM 0 HG SER A 69 -6.651 12.263 -11.108 1.00 0.00 H new ATOM 1007 N SER A 70 -5.785 9.765 -10.426 1.00 0.00 N ATOM 1008 CA SER A 70 -4.737 8.707 -10.431 1.00 0.00 C ATOM 1009 C SER A 70 -4.735 7.990 -9.080 1.00 0.00 C ATOM 1010 O SER A 70 -4.344 6.844 -8.975 1.00 0.00 O ATOM 1011 CB SER A 70 -3.369 9.348 -10.673 1.00 0.00 C ATOM 1012 OG SER A 70 -2.378 8.626 -9.955 1.00 0.00 O ATOM 0 H SER A 70 -5.529 10.633 -10.898 1.00 0.00 H new ATOM 0 HA SER A 70 -4.946 7.988 -11.224 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.137 9.346 -11.738 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.381 10.389 -10.352 1.00 0.00 H new ATOM 0 HG SER A 70 -2.047 9.174 -9.213 1.00 0.00 H new ATOM 1018 N SER A 71 -5.171 8.656 -8.045 1.00 0.00 N ATOM 1019 CA SER A 71 -5.196 8.014 -6.701 1.00 0.00 C ATOM 1020 C SER A 71 -6.405 7.081 -6.605 1.00 0.00 C ATOM 1021 O SER A 71 -6.306 5.966 -6.132 1.00 0.00 O ATOM 1022 CB SER A 71 -5.300 9.092 -5.623 1.00 0.00 C ATOM 1023 OG SER A 71 -4.950 8.532 -4.364 1.00 0.00 O ATOM 0 H SER A 71 -5.511 9.617 -8.073 1.00 0.00 H new ATOM 0 HA SER A 71 -4.280 7.441 -6.555 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.638 9.925 -5.860 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.314 9.491 -5.588 1.00 0.00 H new ATOM 0 HG SER A 71 -5.014 9.221 -3.670 1.00 0.00 H new ATOM 1029 N LEU A 72 -7.548 7.527 -7.051 1.00 0.00 N ATOM 1030 CA LEU A 72 -8.762 6.666 -6.985 1.00 0.00 C ATOM 1031 C LEU A 72 -8.534 5.399 -7.811 1.00 0.00 C ATOM 1032 O LEU A 72 -8.726 4.296 -7.339 1.00 0.00 O ATOM 1033 CB LEU A 72 -9.962 7.434 -7.547 1.00 0.00 C ATOM 1034 CG LEU A 72 -11.213 6.554 -7.484 1.00 0.00 C ATOM 1035 CD1 LEU A 72 -11.723 6.490 -6.044 1.00 0.00 C ATOM 1036 CD2 LEU A 72 -12.299 7.151 -8.382 1.00 0.00 C ATOM 0 H LEU A 72 -7.693 8.451 -7.458 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.959 6.392 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.120 8.349 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.766 7.731 -8.577 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.967 5.549 -7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.614 5.863 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.950 6.067 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.969 7.495 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.191 6.526 -8.339 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.543 8.156 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.937 7.197 -9.409 1.00 0.00 H new ATOM 1048 N ILE A 73 -8.131 5.547 -9.043 1.00 0.00 N ATOM 1049 CA ILE A 73 -7.896 4.351 -9.899 1.00 0.00 C ATOM 1050 C ILE A 73 -6.838 3.455 -9.249 1.00 0.00 C ATOM 1051 O ILE A 73 -6.960 2.246 -9.237 1.00 0.00 O ATOM 1052 CB ILE A 73 -7.411 4.800 -11.278 1.00 0.00 C ATOM 1053 CG1 ILE A 73 -7.385 3.599 -12.225 1.00 0.00 C ATOM 1054 CG2 ILE A 73 -6.003 5.387 -11.160 1.00 0.00 C ATOM 1055 CD1 ILE A 73 -7.907 4.020 -13.599 1.00 0.00 C ATOM 0 H ILE A 73 -7.954 6.445 -9.494 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.826 3.792 -10.006 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.088 5.559 -11.671 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.369 3.214 -12.313 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.998 2.792 -11.823 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.658 5.707 -12.143 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.021 6.243 -10.486 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.325 4.630 -10.766 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.888 3.164 -14.273 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.930 4.384 -13.504 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.276 4.812 -14.001 1.00 0.00 H new ATOM 1067 N THR A 74 -5.801 4.034 -8.708 1.00 0.00 N ATOM 1068 CA THR A 74 -4.742 3.208 -8.062 1.00 0.00 C ATOM 1069 C THR A 74 -5.313 2.529 -6.815 1.00 0.00 C ATOM 1070 O THR A 74 -4.774 1.557 -6.324 1.00 0.00 O ATOM 1071 CB THR A 74 -3.567 4.103 -7.660 1.00 0.00 C ATOM 1072 OG1 THR A 74 -4.053 5.391 -7.310 1.00 0.00 O ATOM 1073 CG2 THR A 74 -2.591 4.225 -8.832 1.00 0.00 C ATOM 0 H THR A 74 -5.641 5.041 -8.685 1.00 0.00 H new ATOM 0 HA THR A 74 -4.397 2.449 -8.765 1.00 0.00 H new ATOM 0 HB THR A 74 -3.052 3.664 -6.806 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.901 6.011 -8.053 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.755 4.862 -8.544 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.218 3.236 -9.099 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.104 4.663 -9.688 1.00 0.00 H new ATOM 1081 N GLU A 75 -6.400 3.033 -6.298 1.00 0.00 N ATOM 1082 CA GLU A 75 -7.004 2.414 -5.084 1.00 0.00 C ATOM 1083 C GLU A 75 -8.045 1.375 -5.505 1.00 0.00 C ATOM 1084 O GLU A 75 -8.456 0.542 -4.723 1.00 0.00 O ATOM 1085 CB GLU A 75 -7.680 3.498 -4.241 1.00 0.00 C ATOM 1086 CG GLU A 75 -6.629 4.220 -3.396 1.00 0.00 C ATOM 1087 CD GLU A 75 -6.298 3.379 -2.162 1.00 0.00 C ATOM 1088 OE1 GLU A 75 -7.139 2.587 -1.767 1.00 0.00 O ATOM 1089 OE2 GLU A 75 -5.211 3.541 -1.633 1.00 0.00 O ATOM 0 H GLU A 75 -6.896 3.846 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.223 1.930 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.192 4.210 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.437 3.052 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.728 4.390 -3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.001 5.199 -3.093 1.00 0.00 H new ATOM 1096 N TRP A 76 -8.475 1.419 -6.736 1.00 0.00 N ATOM 1097 CA TRP A 76 -9.490 0.436 -7.207 1.00 0.00 C ATOM 1098 C TRP A 76 -8.795 -0.693 -7.970 1.00 0.00 C ATOM 1099 O TRP A 76 -9.359 -1.747 -8.185 1.00 0.00 O ATOM 1100 CB TRP A 76 -10.487 1.135 -8.135 1.00 0.00 C ATOM 1101 CG TRP A 76 -11.472 1.908 -7.320 1.00 0.00 C ATOM 1102 CD1 TRP A 76 -11.244 2.386 -6.076 1.00 0.00 C ATOM 1103 CD2 TRP A 76 -12.833 2.301 -7.667 1.00 0.00 C ATOM 1104 NE1 TRP A 76 -12.377 3.048 -5.637 1.00 0.00 N ATOM 1105 CE2 TRP A 76 -13.383 3.022 -6.581 1.00 0.00 C ATOM 1106 CE3 TRP A 76 -13.633 2.103 -8.806 1.00 0.00 C ATOM 1107 CZ2 TRP A 76 -14.683 3.529 -6.625 1.00 0.00 C ATOM 1108 CZ3 TRP A 76 -14.941 2.612 -8.853 1.00 0.00 C ATOM 1109 CH2 TRP A 76 -15.465 3.323 -7.764 1.00 0.00 C ATOM 0 H TRP A 76 -8.167 2.094 -7.436 1.00 0.00 H new ATOM 0 HA TRP A 76 -10.018 0.023 -6.347 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.959 1.803 -8.816 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -11.006 0.399 -8.749 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.328 2.270 -5.516 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -12.459 3.500 -4.726 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -13.239 1.556 -9.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -15.081 4.077 -5.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -15.547 2.455 -9.733 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -16.472 3.711 -7.806 1.00 0.00 H new ATOM 1120 N VAL A 77 -7.576 -0.482 -8.385 1.00 0.00 N ATOM 1121 CA VAL A 77 -6.853 -1.544 -9.137 1.00 0.00 C ATOM 1122 C VAL A 77 -5.742 -2.129 -8.262 1.00 0.00 C ATOM 1123 O VAL A 77 -4.653 -2.404 -8.725 1.00 0.00 O ATOM 1124 CB VAL A 77 -6.242 -0.944 -10.406 1.00 0.00 C ATOM 1125 CG1 VAL A 77 -7.360 -0.440 -11.323 1.00 0.00 C ATOM 1126 CG2 VAL A 77 -5.329 0.224 -10.026 1.00 0.00 C ATOM 0 H VAL A 77 -7.051 0.379 -8.236 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.552 -2.335 -9.408 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.662 -1.706 -10.927 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.925 -0.013 -12.226 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.012 -1.271 -11.592 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.940 0.323 -10.804 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.893 0.653 -10.928 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.910 0.986 -9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.533 -0.134 -9.373 1.00 0.00 H new ATOM 1136 N LYS A 78 -6.011 -2.325 -7.001 1.00 0.00 N ATOM 1137 CA LYS A 78 -4.972 -2.897 -6.099 1.00 0.00 C ATOM 1138 C LYS A 78 -5.475 -4.224 -5.529 1.00 0.00 C ATOM 1139 O LYS A 78 -6.203 -4.257 -4.557 1.00 0.00 O ATOM 1140 CB LYS A 78 -4.693 -1.920 -4.954 1.00 0.00 C ATOM 1141 CG LYS A 78 -3.467 -1.070 -5.295 1.00 0.00 C ATOM 1142 CD LYS A 78 -3.031 -0.279 -4.059 1.00 0.00 C ATOM 1143 CE LYS A 78 -1.747 0.489 -4.370 1.00 0.00 C ATOM 1144 NZ LYS A 78 -0.686 -0.466 -4.799 1.00 0.00 N ATOM 0 H LYS A 78 -6.904 -2.114 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.053 -3.065 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.559 -1.279 -4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.522 -2.468 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.652 -1.709 -5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.701 -0.388 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.818 0.414 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.868 -0.956 -3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.931 1.222 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.419 1.041 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.240 0.006 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.680 -1.287 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.877 -0.784 -5.771 1.00 0.00 H new ATOM 1158 N GLY A 79 -5.096 -5.319 -6.130 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.556 -6.644 -5.626 1.00 0.00 C ATOM 1160 C GLY A 79 -6.601 -7.218 -6.584 1.00 0.00 C ATOM 1161 O GLY A 79 -6.768 -8.416 -6.690 1.00 0.00 O ATOM 0 H GLY A 79 -4.488 -5.353 -6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.710 -7.327 -5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.981 -6.538 -4.628 1.00 0.00 H new ATOM 1165 N LYS A 80 -7.305 -6.371 -7.284 1.00 0.00 N ATOM 1166 CA LYS A 80 -8.338 -6.867 -8.236 1.00 0.00 C ATOM 1167 C LYS A 80 -7.677 -7.762 -9.286 1.00 0.00 C ATOM 1168 O LYS A 80 -6.589 -8.268 -9.086 1.00 0.00 O ATOM 1169 CB LYS A 80 -9.008 -5.676 -8.927 1.00 0.00 C ATOM 1170 CG LYS A 80 -9.550 -4.712 -7.868 1.00 0.00 C ATOM 1171 CD LYS A 80 -10.839 -4.065 -8.378 1.00 0.00 C ATOM 1172 CE LYS A 80 -12.011 -5.025 -8.170 1.00 0.00 C ATOM 1173 NZ LYS A 80 -13.294 -4.282 -8.324 1.00 0.00 N ATOM 0 H LYS A 80 -7.209 -5.357 -7.238 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.089 -7.441 -7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.291 -5.163 -9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.819 -6.022 -9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.743 -5.247 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.808 -3.944 -7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.023 -3.130 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.741 -3.819 -9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.961 -5.839 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.955 -5.475 -7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.092 -4.934 -8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.341 -3.520 -7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.346 -3.873 -9.279 1.00 0.00 H new ATOM 1187 N SER A 81 -8.321 -7.966 -10.403 1.00 0.00 N ATOM 1188 CA SER A 81 -7.726 -8.832 -11.460 1.00 0.00 C ATOM 1189 C SER A 81 -7.771 -8.107 -12.807 1.00 0.00 C ATOM 1190 O SER A 81 -8.456 -7.115 -12.968 1.00 0.00 O ATOM 1191 CB SER A 81 -8.520 -10.135 -11.556 1.00 0.00 C ATOM 1192 OG SER A 81 -7.626 -11.214 -11.796 1.00 0.00 O ATOM 0 H SER A 81 -9.234 -7.570 -10.629 1.00 0.00 H new ATOM 0 HA SER A 81 -6.690 -9.053 -11.204 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.074 -10.305 -10.633 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.253 -10.069 -12.360 1.00 0.00 H new ATOM 0 HG SER A 81 -6.735 -10.861 -12.001 1.00 0.00 H new ATOM 1198 N LEU A 82 -7.045 -8.594 -13.778 1.00 0.00 N ATOM 1199 CA LEU A 82 -7.045 -7.934 -15.115 1.00 0.00 C ATOM 1200 C LEU A 82 -8.473 -7.883 -15.663 1.00 0.00 C ATOM 1201 O LEU A 82 -8.893 -6.896 -16.232 1.00 0.00 O ATOM 1202 CB LEU A 82 -6.161 -8.733 -16.075 1.00 0.00 C ATOM 1203 CG LEU A 82 -4.694 -8.576 -15.671 1.00 0.00 C ATOM 1204 CD1 LEU A 82 -3.901 -9.797 -16.139 1.00 0.00 C ATOM 1205 CD2 LEU A 82 -4.119 -7.316 -16.324 1.00 0.00 C ATOM 0 H LEU A 82 -6.452 -9.421 -13.703 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.658 -6.920 -15.018 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.444 -9.786 -16.055 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.307 -8.383 -17.097 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.623 -8.491 -14.587 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.856 -9.684 -15.851 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.310 -10.695 -15.677 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.971 -9.883 -17.223 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.074 -7.202 -16.037 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.191 -7.403 -17.408 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.683 -6.444 -15.992 1.00 0.00 H new ATOM 1217 N GLU A 83 -9.221 -8.939 -15.497 1.00 0.00 N ATOM 1218 CA GLU A 83 -10.620 -8.950 -16.011 1.00 0.00 C ATOM 1219 C GLU A 83 -11.345 -7.684 -15.552 1.00 0.00 C ATOM 1220 O GLU A 83 -12.295 -7.242 -16.167 1.00 0.00 O ATOM 1221 CB GLU A 83 -11.350 -10.181 -15.470 1.00 0.00 C ATOM 1222 CG GLU A 83 -12.672 -10.365 -16.219 1.00 0.00 C ATOM 1223 CD GLU A 83 -13.840 -10.205 -15.244 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -14.128 -11.154 -14.534 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -14.426 -9.134 -15.223 1.00 0.00 O ATOM 0 H GLU A 83 -8.924 -9.795 -15.028 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.606 -8.983 -17.100 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.727 -11.067 -15.589 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.538 -10.065 -14.403 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.752 -9.632 -17.022 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.705 -11.351 -16.683 1.00 0.00 H new ATOM 1232 N GLU A 84 -10.905 -7.097 -14.473 1.00 0.00 N ATOM 1233 CA GLU A 84 -11.569 -5.862 -13.972 1.00 0.00 C ATOM 1234 C GLU A 84 -10.895 -4.633 -14.587 1.00 0.00 C ATOM 1235 O GLU A 84 -11.548 -3.743 -15.093 1.00 0.00 O ATOM 1236 CB GLU A 84 -11.449 -5.804 -12.448 1.00 0.00 C ATOM 1237 CG GLU A 84 -12.174 -7.004 -11.834 1.00 0.00 C ATOM 1238 CD GLU A 84 -13.664 -6.928 -12.172 1.00 0.00 C ATOM 1239 OE1 GLU A 84 -14.256 -5.890 -11.925 1.00 0.00 O ATOM 1240 OE2 GLU A 84 -14.189 -7.908 -12.674 1.00 0.00 O ATOM 0 H GLU A 84 -10.114 -7.420 -13.917 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.622 -5.874 -14.254 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.399 -5.810 -12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.879 -4.875 -12.074 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.750 -7.933 -12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.035 -7.012 -10.753 1.00 0.00 H new ATOM 1247 N ALA A 85 -9.592 -4.578 -14.547 1.00 0.00 N ATOM 1248 CA ALA A 85 -8.878 -3.407 -15.130 1.00 0.00 C ATOM 1249 C ALA A 85 -9.171 -3.328 -16.630 1.00 0.00 C ATOM 1250 O ALA A 85 -8.969 -2.309 -17.259 1.00 0.00 O ATOM 1251 CB ALA A 85 -7.373 -3.566 -14.913 1.00 0.00 C ATOM 0 H ALA A 85 -8.991 -5.293 -14.136 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.220 -2.494 -14.643 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.851 -2.709 -15.340 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.163 -3.623 -13.845 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.030 -4.479 -15.400 1.00 0.00 H new ATOM 1257 N GLY A 86 -9.647 -4.397 -17.205 1.00 0.00 N ATOM 1258 CA GLY A 86 -9.956 -4.387 -18.663 1.00 0.00 C ATOM 1259 C GLY A 86 -11.465 -4.237 -18.862 1.00 0.00 C ATOM 1260 O GLY A 86 -12.024 -4.712 -19.832 1.00 0.00 O ATOM 0 H GLY A 86 -9.836 -5.279 -16.728 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.430 -3.567 -19.152 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.607 -5.310 -19.126 1.00 0.00 H new ATOM 1264 N ALA A 87 -12.127 -3.577 -17.952 1.00 0.00 N ATOM 1265 CA ALA A 87 -13.599 -3.393 -18.084 1.00 0.00 C ATOM 1266 C ALA A 87 -13.992 -2.057 -17.453 1.00 0.00 C ATOM 1267 O ALA A 87 -14.873 -1.369 -17.927 1.00 0.00 O ATOM 1268 CB ALA A 87 -14.323 -4.533 -17.362 1.00 0.00 C ATOM 0 H ALA A 87 -11.711 -3.157 -17.121 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.879 -3.399 -19.137 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -15.400 -4.399 -17.458 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.035 -5.486 -17.806 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.050 -4.527 -16.307 1.00 0.00 H new ATOM 1274 N ILE A 88 -13.337 -1.688 -16.386 1.00 0.00 N ATOM 1275 CA ILE A 88 -13.655 -0.397 -15.717 1.00 0.00 C ATOM 1276 C ILE A 88 -13.878 0.689 -16.773 1.00 0.00 C ATOM 1277 O ILE A 88 -13.654 0.480 -17.949 1.00 0.00 O ATOM 1278 CB ILE A 88 -12.482 0.001 -14.822 1.00 0.00 C ATOM 1279 CG1 ILE A 88 -11.170 -0.351 -15.526 1.00 0.00 C ATOM 1280 CG2 ILE A 88 -12.568 -0.759 -13.497 1.00 0.00 C ATOM 1281 CD1 ILE A 88 -10.026 0.458 -14.913 1.00 0.00 C ATOM 0 H ILE A 88 -12.592 -2.229 -15.948 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.559 -0.508 -15.118 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.519 1.073 -14.627 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -10.968 -1.418 -15.428 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.249 -0.138 -16.592 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -11.731 -0.474 -12.859 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.505 -0.514 -12.997 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.529 -1.831 -13.689 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.092 0.206 -15.416 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.227 1.522 -15.034 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -9.942 0.223 -13.852 1.00 0.00 H new ATOM 1293 N LYS A 89 -14.314 1.848 -16.362 1.00 0.00 N ATOM 1294 CA LYS A 89 -14.547 2.948 -17.340 1.00 0.00 C ATOM 1295 C LYS A 89 -14.040 4.265 -16.749 1.00 0.00 C ATOM 1296 O LYS A 89 -13.726 4.350 -15.577 1.00 0.00 O ATOM 1297 CB LYS A 89 -16.046 3.059 -17.636 1.00 0.00 C ATOM 1298 CG LYS A 89 -16.575 1.704 -18.109 1.00 0.00 C ATOM 1299 CD LYS A 89 -17.465 1.900 -19.338 1.00 0.00 C ATOM 1300 CE LYS A 89 -18.336 0.658 -19.541 1.00 0.00 C ATOM 1301 NZ LYS A 89 -19.071 0.770 -20.832 1.00 0.00 N ATOM 0 H LYS A 89 -14.519 2.081 -15.390 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.012 2.735 -18.266 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.581 3.378 -16.742 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.221 3.816 -18.400 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.743 1.042 -18.352 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.141 1.225 -17.310 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.094 2.781 -19.208 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -16.850 2.075 -20.221 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.715 -0.238 -19.541 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.042 0.557 -18.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.663 -0.074 -20.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.675 1.617 -20.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.390 0.846 -21.614 1.00 0.00 H new ATOM 1315 N ASN A 90 -13.949 5.294 -17.548 1.00 0.00 N ATOM 1316 CA ASN A 90 -13.455 6.600 -17.026 1.00 0.00 C ATOM 1317 C ASN A 90 -14.637 7.539 -16.781 1.00 0.00 C ATOM 1318 O ASN A 90 -14.618 8.355 -15.880 1.00 0.00 O ATOM 1319 CB ASN A 90 -12.508 7.231 -18.048 1.00 0.00 C ATOM 1320 CG ASN A 90 -13.203 7.310 -19.408 1.00 0.00 C ATOM 1321 OD1 ASN A 90 -12.822 6.628 -20.338 1.00 0.00 O ATOM 1322 ND2 ASN A 90 -14.213 8.121 -19.564 1.00 0.00 N ATOM 0 H ASN A 90 -14.195 5.287 -18.538 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.925 6.436 -16.088 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -12.214 8.228 -17.720 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -11.596 6.640 -18.128 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -14.683 8.182 -20.467 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -14.533 8.694 -18.783 1.00 0.00 H new ATOM 1329 N SER A 91 -15.666 7.435 -17.576 1.00 0.00 N ATOM 1330 CA SER A 91 -16.846 8.325 -17.390 1.00 0.00 C ATOM 1331 C SER A 91 -17.298 8.278 -15.928 1.00 0.00 C ATOM 1332 O SER A 91 -17.779 9.253 -15.386 1.00 0.00 O ATOM 1333 CB SER A 91 -17.987 7.854 -18.291 1.00 0.00 C ATOM 1334 OG SER A 91 -18.966 7.192 -17.501 1.00 0.00 O ATOM 0 H SER A 91 -15.741 6.771 -18.347 1.00 0.00 H new ATOM 0 HA SER A 91 -16.573 9.347 -17.653 1.00 0.00 H new ATOM 0 HB2 SER A 91 -18.433 8.704 -18.807 1.00 0.00 H new ATOM 0 HB3 SER A 91 -17.606 7.180 -19.058 1.00 0.00 H new ATOM 0 HG SER A 91 -19.700 6.890 -18.075 1.00 0.00 H new ATOM 1340 N GLN A 92 -17.150 7.150 -15.287 1.00 0.00 N ATOM 1341 CA GLN A 92 -17.576 7.042 -13.862 1.00 0.00 C ATOM 1342 C GLN A 92 -16.578 7.786 -12.971 1.00 0.00 C ATOM 1343 O GLN A 92 -16.930 8.714 -12.270 1.00 0.00 O ATOM 1344 CB GLN A 92 -17.624 5.568 -13.453 1.00 0.00 C ATOM 1345 CG GLN A 92 -19.046 5.036 -13.633 1.00 0.00 C ATOM 1346 CD GLN A 92 -18.998 3.532 -13.910 1.00 0.00 C ATOM 1347 OE1 GLN A 92 -17.975 3.008 -14.306 1.00 0.00 O ATOM 1348 NE2 GLN A 92 -20.067 2.810 -13.715 1.00 0.00 N ATOM 0 H GLN A 92 -16.753 6.300 -15.688 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.566 7.484 -13.746 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -16.928 4.988 -14.059 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -17.311 5.457 -12.415 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -19.635 5.233 -12.737 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -19.537 5.553 -14.458 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -20.925 3.249 -13.383 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -20.044 1.806 -13.895 1.00 0.00 H new ATOM 1357 N ILE A 93 -15.337 7.386 -12.989 1.00 0.00 N ATOM 1358 CA ILE A 93 -14.321 8.070 -12.141 1.00 0.00 C ATOM 1359 C ILE A 93 -14.479 9.586 -12.281 1.00 0.00 C ATOM 1360 O ILE A 93 -14.416 10.317 -11.313 1.00 0.00 O ATOM 1361 CB ILE A 93 -12.918 7.657 -12.590 1.00 0.00 C ATOM 1362 CG1 ILE A 93 -12.649 6.215 -12.152 1.00 0.00 C ATOM 1363 CG2 ILE A 93 -11.883 8.582 -11.948 1.00 0.00 C ATOM 1364 CD1 ILE A 93 -11.574 5.600 -13.052 1.00 0.00 C ATOM 0 H ILE A 93 -14.982 6.615 -13.554 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.465 7.785 -11.099 1.00 0.00 H new ATOM 0 HB ILE A 93 -12.848 7.730 -13.675 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -12.323 6.194 -11.112 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.566 5.629 -12.210 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -10.884 8.287 -12.268 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -12.074 9.610 -12.255 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -11.953 8.508 -10.863 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -11.382 4.573 -12.740 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -11.918 5.607 -14.086 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -10.655 6.181 -12.971 1.00 0.00 H new ATOM 1376 N ALA A 94 -14.688 10.063 -13.478 1.00 0.00 N ATOM 1377 CA ALA A 94 -14.853 11.531 -13.675 1.00 0.00 C ATOM 1378 C ALA A 94 -16.150 11.990 -13.005 1.00 0.00 C ATOM 1379 O ALA A 94 -16.180 12.974 -12.294 1.00 0.00 O ATOM 1380 CB ALA A 94 -14.915 11.840 -15.172 1.00 0.00 C ATOM 0 H ALA A 94 -14.752 9.501 -14.327 1.00 0.00 H new ATOM 0 HA ALA A 94 -14.008 12.056 -13.231 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.036 12.914 -15.317 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.992 11.511 -15.650 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.761 11.316 -15.617 1.00 0.00 H new ATOM 1386 N GLU A 95 -17.224 11.281 -13.225 1.00 0.00 N ATOM 1387 CA GLU A 95 -18.517 11.674 -12.599 1.00 0.00 C ATOM 1388 C GLU A 95 -18.332 11.796 -11.085 1.00 0.00 C ATOM 1389 O GLU A 95 -18.890 12.668 -10.450 1.00 0.00 O ATOM 1390 CB GLU A 95 -19.575 10.611 -12.899 1.00 0.00 C ATOM 1391 CG GLU A 95 -20.941 11.095 -12.407 1.00 0.00 C ATOM 1392 CD GLU A 95 -22.046 10.282 -13.086 1.00 0.00 C ATOM 1393 OE1 GLU A 95 -22.066 9.077 -12.900 1.00 0.00 O ATOM 1394 OE2 GLU A 95 -22.851 10.880 -13.781 1.00 0.00 O ATOM 0 H GLU A 95 -17.261 10.447 -13.811 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.841 12.632 -13.005 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -19.612 10.412 -13.970 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -19.312 9.673 -12.410 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -21.009 10.987 -11.324 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.065 12.155 -12.630 1.00 0.00 H new ATOM 1401 N GLU A 96 -17.551 10.927 -10.503 1.00 0.00 N ATOM 1402 CA GLU A 96 -17.330 10.993 -9.030 1.00 0.00 C ATOM 1403 C GLU A 96 -16.544 12.262 -8.691 1.00 0.00 C ATOM 1404 O GLU A 96 -16.868 12.975 -7.762 1.00 0.00 O ATOM 1405 CB GLU A 96 -16.541 9.764 -8.576 1.00 0.00 C ATOM 1406 CG GLU A 96 -17.129 9.237 -7.266 1.00 0.00 C ATOM 1407 CD GLU A 96 -18.568 8.774 -7.500 1.00 0.00 C ATOM 1408 OE1 GLU A 96 -18.744 7.651 -7.945 1.00 0.00 O ATOM 1409 OE2 GLU A 96 -19.471 9.552 -7.233 1.00 0.00 O ATOM 0 H GLU A 96 -17.057 10.175 -10.983 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.292 11.014 -8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.580 8.990 -9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.491 10.023 -8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -16.526 8.410 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.106 10.017 -6.505 1.00 0.00 H new ATOM 1416 N LEU A 97 -15.513 12.550 -9.438 1.00 0.00 N ATOM 1417 CA LEU A 97 -14.712 13.774 -9.158 1.00 0.00 C ATOM 1418 C LEU A 97 -15.507 15.005 -9.596 1.00 0.00 C ATOM 1419 O LEU A 97 -15.196 16.121 -9.229 1.00 0.00 O ATOM 1420 CB LEU A 97 -13.394 13.714 -9.932 1.00 0.00 C ATOM 1421 CG LEU A 97 -12.372 12.898 -9.140 1.00 0.00 C ATOM 1422 CD1 LEU A 97 -11.540 12.051 -10.103 1.00 0.00 C ATOM 1423 CD2 LEU A 97 -11.451 13.848 -8.368 1.00 0.00 C ATOM 0 H LEU A 97 -15.192 11.991 -10.229 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.499 13.835 -8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.555 13.262 -10.911 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.015 14.721 -10.104 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.891 12.245 -8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.811 11.469 -9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -12.196 11.376 -10.653 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.019 12.703 -10.804 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.722 13.268 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.931 14.500 -9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.044 14.452 -7.682 1.00 0.00 H new ATOM 1435 N GLU A 98 -16.534 14.809 -10.376 1.00 0.00 N ATOM 1436 CA GLU A 98 -17.351 15.965 -10.835 1.00 0.00 C ATOM 1437 C GLU A 98 -16.431 17.049 -11.402 1.00 0.00 C ATOM 1438 O GLU A 98 -16.695 18.228 -11.276 1.00 0.00 O ATOM 1439 CB GLU A 98 -18.137 16.530 -9.650 1.00 0.00 C ATOM 1440 CG GLU A 98 -19.271 17.419 -10.165 1.00 0.00 C ATOM 1441 CD GLU A 98 -19.228 18.769 -9.447 1.00 0.00 C ATOM 1442 OE1 GLU A 98 -18.187 19.406 -9.487 1.00 0.00 O ATOM 1443 OE2 GLU A 98 -20.235 19.143 -8.869 1.00 0.00 O ATOM 0 H GLU A 98 -16.842 13.898 -10.715 1.00 0.00 H new ATOM 0 HA GLU A 98 -18.044 15.638 -11.610 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.543 15.717 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -17.475 17.105 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.173 17.564 -11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.233 16.935 -9.995 1.00 0.00 H new ATOM 1450 N LEU A 99 -15.351 16.658 -12.023 1.00 0.00 N ATOM 1451 CA LEU A 99 -14.413 17.665 -12.593 1.00 0.00 C ATOM 1452 C LEU A 99 -15.014 18.258 -13.877 1.00 0.00 C ATOM 1453 O LEU A 99 -15.540 17.541 -14.706 1.00 0.00 O ATOM 1454 CB LEU A 99 -13.079 16.987 -12.916 1.00 0.00 C ATOM 1455 CG LEU A 99 -13.277 15.977 -14.050 1.00 0.00 C ATOM 1456 CD1 LEU A 99 -12.702 16.544 -15.351 1.00 0.00 C ATOM 1457 CD2 LEU A 99 -12.554 14.674 -13.702 1.00 0.00 C ATOM 0 H LEU A 99 -15.078 15.685 -12.160 1.00 0.00 H new ATOM 0 HA LEU A 99 -14.250 18.464 -11.870 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -12.341 17.734 -13.206 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -12.692 16.483 -12.030 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.342 15.783 -14.179 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -12.844 15.823 -16.156 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.214 17.473 -15.601 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.637 16.740 -15.223 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.694 13.954 -14.508 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -11.490 14.872 -13.573 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -12.963 14.267 -12.777 1.00 0.00 H new ATOM 1469 N PRO A 100 -14.937 19.556 -14.044 1.00 0.00 N ATOM 1470 CA PRO A 100 -15.483 20.242 -15.248 1.00 0.00 C ATOM 1471 C PRO A 100 -15.176 19.478 -16.540 1.00 0.00 C ATOM 1472 O PRO A 100 -14.229 18.721 -16.614 1.00 0.00 O ATOM 1473 CB PRO A 100 -14.769 21.593 -15.243 1.00 0.00 C ATOM 1474 CG PRO A 100 -14.454 21.870 -13.809 1.00 0.00 C ATOM 1475 CD PRO A 100 -14.326 20.513 -13.106 1.00 0.00 C ATOM 0 HA PRO A 100 -16.570 20.321 -15.215 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -13.861 21.560 -15.845 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.402 22.374 -15.664 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -13.528 22.439 -13.721 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -15.241 22.469 -13.350 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -13.283 20.265 -12.908 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -14.842 20.513 -12.146 1.00 0.00 H new ATOM 1483 N PRO A 101 -15.978 19.679 -17.551 1.00 0.00 N ATOM 1484 CA PRO A 101 -15.800 19.003 -18.868 1.00 0.00 C ATOM 1485 C PRO A 101 -14.586 19.536 -19.636 1.00 0.00 C ATOM 1486 O PRO A 101 -14.170 18.970 -20.627 1.00 0.00 O ATOM 1487 CB PRO A 101 -17.092 19.323 -19.622 1.00 0.00 C ATOM 1488 CG PRO A 101 -17.620 20.573 -18.998 1.00 0.00 C ATOM 1489 CD PRO A 101 -17.142 20.577 -17.545 1.00 0.00 C ATOM 0 HA PRO A 101 -15.619 17.935 -18.751 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.900 19.466 -20.685 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -17.810 18.507 -19.534 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -17.255 21.453 -19.527 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -18.709 20.600 -19.047 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -16.870 21.580 -17.217 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -17.918 20.220 -16.868 1.00 0.00 H new ATOM 1497 N VAL A 102 -14.015 20.620 -19.184 1.00 0.00 N ATOM 1498 CA VAL A 102 -12.830 21.185 -19.888 1.00 0.00 C ATOM 1499 C VAL A 102 -11.568 20.449 -19.434 1.00 0.00 C ATOM 1500 O VAL A 102 -10.526 21.043 -19.240 1.00 0.00 O ATOM 1501 CB VAL A 102 -12.700 22.673 -19.554 1.00 0.00 C ATOM 1502 CG1 VAL A 102 -11.739 23.336 -20.543 1.00 0.00 C ATOM 1503 CG2 VAL A 102 -14.074 23.338 -19.656 1.00 0.00 C ATOM 0 H VAL A 102 -14.318 21.137 -18.359 1.00 0.00 H new ATOM 0 HA VAL A 102 -12.955 21.063 -20.964 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.314 22.786 -18.541 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.646 24.396 -20.305 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.760 22.861 -20.473 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.125 23.224 -21.556 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -13.984 24.398 -19.418 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.459 23.225 -20.670 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.760 22.866 -18.953 1.00 0.00 H new ATOM 1513 N LYS A 103 -11.655 19.158 -19.262 1.00 0.00 N ATOM 1514 CA LYS A 103 -10.465 18.380 -18.821 1.00 0.00 C ATOM 1515 C LYS A 103 -10.824 16.894 -18.777 1.00 0.00 C ATOM 1516 O LYS A 103 -10.316 16.144 -17.966 1.00 0.00 O ATOM 1517 CB LYS A 103 -10.036 18.848 -17.427 1.00 0.00 C ATOM 1518 CG LYS A 103 -8.603 18.388 -17.146 1.00 0.00 C ATOM 1519 CD LYS A 103 -7.969 19.296 -16.088 1.00 0.00 C ATOM 1520 CE LYS A 103 -6.896 20.170 -16.740 1.00 0.00 C ATOM 1521 NZ LYS A 103 -6.451 21.216 -15.776 1.00 0.00 N ATOM 0 H LYS A 103 -12.502 18.608 -19.409 1.00 0.00 H new ATOM 0 HA LYS A 103 -9.644 18.536 -19.521 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -10.099 19.934 -17.362 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.712 18.444 -16.673 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.604 17.355 -16.799 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.015 18.416 -18.063 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.732 19.923 -15.627 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.529 18.694 -15.293 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.048 19.556 -17.044 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.291 20.637 -17.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.722 21.810 -16.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.263 21.808 -15.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.058 20.761 -14.927 1.00 0.00 H new ATOM 1535 N VAL A 104 -11.700 16.464 -19.644 1.00 0.00 N ATOM 1536 CA VAL A 104 -12.101 15.029 -19.657 1.00 0.00 C ATOM 1537 C VAL A 104 -10.979 14.186 -20.268 1.00 0.00 C ATOM 1538 O VAL A 104 -11.013 12.972 -20.233 1.00 0.00 O ATOM 1539 CB VAL A 104 -13.372 14.867 -20.492 1.00 0.00 C ATOM 1540 CG1 VAL A 104 -13.882 13.430 -20.373 1.00 0.00 C ATOM 1541 CG2 VAL A 104 -14.443 15.830 -19.979 1.00 0.00 C ATOM 0 H VAL A 104 -12.156 17.047 -20.346 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.287 14.695 -18.636 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.151 15.089 -21.536 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.788 13.315 -20.968 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.119 12.742 -20.737 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.103 13.208 -19.329 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.350 15.716 -20.573 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.663 15.607 -18.935 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.081 16.855 -20.063 1.00 0.00 H new ATOM 1551 N HIS A 105 -9.986 14.819 -20.829 1.00 0.00 N ATOM 1552 CA HIS A 105 -8.866 14.051 -21.441 1.00 0.00 C ATOM 1553 C HIS A 105 -8.154 13.236 -20.360 1.00 0.00 C ATOM 1554 O HIS A 105 -7.525 12.235 -20.638 1.00 0.00 O ATOM 1555 CB HIS A 105 -7.872 15.021 -22.085 1.00 0.00 C ATOM 1556 CG HIS A 105 -8.486 15.623 -23.318 1.00 0.00 C ATOM 1557 ND1 HIS A 105 -9.849 15.867 -23.423 1.00 0.00 N ATOM 1558 CD2 HIS A 105 -7.938 16.036 -24.507 1.00 0.00 C ATOM 1559 CE1 HIS A 105 -10.073 16.404 -24.637 1.00 0.00 C ATOM 1560 NE2 HIS A 105 -8.941 16.528 -25.334 1.00 0.00 N ATOM 0 H HIS A 105 -9.902 15.834 -20.890 1.00 0.00 H new ATOM 0 HA HIS A 105 -9.262 13.378 -22.202 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -7.605 15.807 -21.378 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -6.952 14.497 -22.343 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -6.889 15.986 -24.761 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -11.046 16.698 -25.001 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -8.835 16.905 -26.276 1.00 0.00 H new ATOM 1568 N CYS A 106 -8.246 13.659 -19.128 1.00 0.00 N ATOM 1569 CA CYS A 106 -7.573 12.910 -18.030 1.00 0.00 C ATOM 1570 C CYS A 106 -8.337 11.615 -17.747 1.00 0.00 C ATOM 1571 O CYS A 106 -7.799 10.532 -17.854 1.00 0.00 O ATOM 1572 CB CYS A 106 -7.546 13.774 -16.767 1.00 0.00 C ATOM 1573 SG CYS A 106 -6.971 15.439 -17.190 1.00 0.00 S ATOM 0 H CYS A 106 -8.758 14.491 -18.835 1.00 0.00 H new ATOM 0 HA CYS A 106 -6.553 12.669 -18.329 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.541 13.822 -16.325 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -6.887 13.328 -16.022 1.00 0.00 H new ATOM 0 HG CYS A 106 -6.949 16.176 -16.119 1.00 0.00 H new ATOM 1579 N SER A 107 -9.589 11.717 -17.390 1.00 0.00 N ATOM 1580 CA SER A 107 -10.381 10.487 -17.106 1.00 0.00 C ATOM 1581 C SER A 107 -10.180 9.492 -18.248 1.00 0.00 C ATOM 1582 O SER A 107 -9.761 8.368 -18.043 1.00 0.00 O ATOM 1583 CB SER A 107 -11.863 10.847 -16.993 1.00 0.00 C ATOM 1584 OG SER A 107 -12.504 10.590 -18.236 1.00 0.00 O ATOM 0 H SER A 107 -10.096 12.596 -17.283 1.00 0.00 H new ATOM 0 HA SER A 107 -10.049 10.042 -16.168 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.332 10.263 -16.201 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.975 11.897 -16.723 1.00 0.00 H new ATOM 0 HG SER A 107 -13.455 10.818 -18.167 1.00 0.00 H new ATOM 1590 N ILE A 108 -10.464 9.900 -19.454 1.00 0.00 N ATOM 1591 CA ILE A 108 -10.276 8.983 -20.609 1.00 0.00 C ATOM 1592 C ILE A 108 -8.852 8.428 -20.563 1.00 0.00 C ATOM 1593 O ILE A 108 -8.607 7.286 -20.898 1.00 0.00 O ATOM 1594 CB ILE A 108 -10.488 9.752 -21.913 1.00 0.00 C ATOM 1595 CG1 ILE A 108 -11.954 10.183 -22.018 1.00 0.00 C ATOM 1596 CG2 ILE A 108 -10.135 8.854 -23.101 1.00 0.00 C ATOM 1597 CD1 ILE A 108 -12.145 11.050 -23.264 1.00 0.00 C ATOM 0 H ILE A 108 -10.818 10.828 -19.688 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.995 8.166 -20.559 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.847 10.634 -21.922 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -12.599 9.306 -22.070 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.245 10.740 -21.127 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.287 9.403 -24.030 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.092 8.546 -23.027 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.775 7.972 -23.093 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -13.189 11.356 -23.338 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.512 11.934 -23.193 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -11.871 10.478 -24.151 1.00 0.00 H new ATOM 1609 N LEU A 109 -7.913 9.230 -20.138 1.00 0.00 N ATOM 1610 CA LEU A 109 -6.505 8.754 -20.054 1.00 0.00 C ATOM 1611 C LEU A 109 -6.414 7.663 -18.986 1.00 0.00 C ATOM 1612 O LEU A 109 -5.590 6.773 -19.058 1.00 0.00 O ATOM 1613 CB LEU A 109 -5.593 9.922 -19.670 1.00 0.00 C ATOM 1614 CG LEU A 109 -4.503 10.094 -20.729 1.00 0.00 C ATOM 1615 CD1 LEU A 109 -5.106 10.726 -21.986 1.00 0.00 C ATOM 1616 CD2 LEU A 109 -3.399 11.003 -20.178 1.00 0.00 C ATOM 0 H LEU A 109 -8.062 10.196 -19.845 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.191 8.355 -21.018 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.177 10.838 -19.583 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.141 9.738 -18.695 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.082 9.120 -20.980 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.329 10.848 -22.740 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.892 10.080 -22.377 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.527 11.700 -21.737 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.621 11.127 -20.931 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.820 11.977 -19.928 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.970 10.552 -19.283 1.00 0.00 H new ATOM 1628 N ALA A 110 -7.261 7.728 -17.994 1.00 0.00 N ATOM 1629 CA ALA A 110 -7.233 6.698 -16.919 1.00 0.00 C ATOM 1630 C ALA A 110 -7.623 5.342 -17.511 1.00 0.00 C ATOM 1631 O ALA A 110 -6.933 4.357 -17.339 1.00 0.00 O ATOM 1632 CB ALA A 110 -8.227 7.081 -15.822 1.00 0.00 C ATOM 0 H ALA A 110 -7.971 8.451 -17.883 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.231 6.637 -16.494 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.208 6.328 -15.034 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.953 8.050 -15.405 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.230 7.139 -16.244 1.00 0.00 H new ATOM 1638 N GLU A 111 -8.724 5.285 -18.209 1.00 0.00 N ATOM 1639 CA GLU A 111 -9.152 3.992 -18.813 1.00 0.00 C ATOM 1640 C GLU A 111 -8.225 3.650 -19.981 1.00 0.00 C ATOM 1641 O GLU A 111 -7.953 2.497 -20.256 1.00 0.00 O ATOM 1642 CB GLU A 111 -10.590 4.111 -19.321 1.00 0.00 C ATOM 1643 CG GLU A 111 -10.914 2.916 -20.219 1.00 0.00 C ATOM 1644 CD GLU A 111 -10.399 1.632 -19.568 1.00 0.00 C ATOM 1645 OE1 GLU A 111 -10.695 1.422 -18.403 1.00 0.00 O ATOM 1646 OE2 GLU A 111 -9.716 0.880 -20.244 1.00 0.00 O ATOM 0 H GLU A 111 -9.344 6.075 -18.387 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.101 3.205 -18.061 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.282 4.146 -18.480 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.715 5.041 -19.876 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.990 2.849 -20.378 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.455 3.049 -21.198 1.00 0.00 H new ATOM 1653 N ASP A 112 -7.735 4.643 -20.670 1.00 0.00 N ATOM 1654 CA ASP A 112 -6.825 4.379 -21.818 1.00 0.00 C ATOM 1655 C ASP A 112 -5.503 3.813 -21.296 1.00 0.00 C ATOM 1656 O ASP A 112 -4.874 2.991 -21.932 1.00 0.00 O ATOM 1657 CB ASP A 112 -6.559 5.684 -22.570 1.00 0.00 C ATOM 1658 CG ASP A 112 -6.209 5.374 -24.025 1.00 0.00 C ATOM 1659 OD1 ASP A 112 -5.148 4.818 -24.253 1.00 0.00 O ATOM 1660 OD2 ASP A 112 -7.008 5.697 -24.889 1.00 0.00 O ATOM 0 H ASP A 112 -7.926 5.628 -20.487 1.00 0.00 H new ATOM 0 HA ASP A 112 -7.289 3.660 -22.493 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.438 6.327 -22.526 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.742 6.228 -22.097 1.00 0.00 H new ATOM 1665 N ALA A 113 -5.077 4.247 -20.140 1.00 0.00 N ATOM 1666 CA ALA A 113 -3.798 3.734 -19.578 1.00 0.00 C ATOM 1667 C ALA A 113 -3.992 2.289 -19.112 1.00 0.00 C ATOM 1668 O ALA A 113 -3.357 1.379 -19.606 1.00 0.00 O ATOM 1669 CB ALA A 113 -3.377 4.603 -18.391 1.00 0.00 C ATOM 0 H ALA A 113 -5.561 4.934 -19.562 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.023 3.768 -20.344 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.440 4.227 -17.979 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.240 5.632 -18.724 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.150 4.570 -17.623 1.00 0.00 H new ATOM 1675 N ILE A 114 -4.866 2.070 -18.168 1.00 0.00 N ATOM 1676 CA ILE A 114 -5.095 0.681 -17.681 1.00 0.00 C ATOM 1677 C ILE A 114 -5.235 -0.255 -18.883 1.00 0.00 C ATOM 1678 O ILE A 114 -4.802 -1.391 -18.852 1.00 0.00 O ATOM 1679 CB ILE A 114 -6.373 0.634 -16.839 1.00 0.00 C ATOM 1680 CG1 ILE A 114 -6.276 -0.518 -15.836 1.00 0.00 C ATOM 1681 CG2 ILE A 114 -7.582 0.414 -17.750 1.00 0.00 C ATOM 1682 CD1 ILE A 114 -5.846 0.026 -14.473 1.00 0.00 C ATOM 0 H ILE A 114 -5.429 2.790 -17.715 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.252 0.365 -17.067 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.490 1.577 -16.305 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.239 -1.022 -15.751 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.558 -1.260 -16.186 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.490 0.381 -17.148 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.651 1.232 -18.467 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.467 -0.528 -18.286 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -5.777 -0.795 -13.759 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.874 0.510 -14.565 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -6.580 0.751 -14.122 1.00 0.00 H new ATOM 1694 N LYS A 115 -5.832 0.215 -19.944 1.00 0.00 N ATOM 1695 CA LYS A 115 -5.994 -0.645 -21.148 1.00 0.00 C ATOM 1696 C LYS A 115 -4.648 -0.764 -21.864 1.00 0.00 C ATOM 1697 O LYS A 115 -4.346 -1.769 -22.477 1.00 0.00 O ATOM 1698 CB LYS A 115 -7.024 -0.018 -22.092 1.00 0.00 C ATOM 1699 CG LYS A 115 -8.007 -1.093 -22.560 1.00 0.00 C ATOM 1700 CD LYS A 115 -9.126 -0.444 -23.376 1.00 0.00 C ATOM 1701 CE LYS A 115 -10.069 -1.528 -23.903 1.00 0.00 C ATOM 1702 NZ LYS A 115 -11.389 -0.920 -24.231 1.00 0.00 N ATOM 0 H LYS A 115 -6.214 1.157 -20.028 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.338 -1.635 -20.848 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.560 0.783 -21.583 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.522 0.429 -22.950 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.488 -1.837 -23.164 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -8.426 -1.616 -21.700 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -9.678 0.264 -22.757 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -8.704 0.121 -24.207 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.642 -1.997 -24.789 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -10.193 -2.312 -23.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -12.031 -1.656 -24.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -11.796 -0.492 -23.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -11.263 -0.187 -24.958 1.00 0.00 H new ATOM 1716 N ALA A 116 -3.836 0.255 -21.789 1.00 0.00 N ATOM 1717 CA ALA A 116 -2.507 0.200 -22.460 1.00 0.00 C ATOM 1718 C ALA A 116 -1.637 -0.850 -21.767 1.00 0.00 C ATOM 1719 O ALA A 116 -0.963 -1.632 -22.407 1.00 0.00 O ATOM 1720 CB ALA A 116 -1.829 1.568 -22.366 1.00 0.00 C ATOM 0 H ALA A 116 -4.036 1.123 -21.292 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.637 -0.066 -23.509 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.857 1.527 -22.857 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.451 2.317 -22.856 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.695 1.836 -21.318 1.00 0.00 H new ATOM 1726 N ALA A 117 -1.649 -0.873 -20.463 1.00 0.00 N ATOM 1727 CA ALA A 117 -0.826 -1.873 -19.728 1.00 0.00 C ATOM 1728 C ALA A 117 -1.325 -3.280 -20.057 1.00 0.00 C ATOM 1729 O ALA A 117 -0.570 -4.135 -20.467 1.00 0.00 O ATOM 1730 CB ALA A 117 -0.945 -1.626 -18.223 1.00 0.00 C ATOM 0 H ALA A 117 -2.193 -0.242 -19.875 1.00 0.00 H new ATOM 0 HA ALA A 117 0.218 -1.778 -20.028 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.342 -2.358 -17.685 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.590 -0.622 -17.990 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.988 -1.721 -17.920 1.00 0.00 H new ATOM 1736 N ILE A 118 -2.596 -3.526 -19.885 1.00 0.00 N ATOM 1737 CA ILE A 118 -3.141 -4.878 -20.191 1.00 0.00 C ATOM 1738 C ILE A 118 -2.594 -5.357 -21.538 1.00 0.00 C ATOM 1739 O ILE A 118 -2.082 -6.451 -21.657 1.00 0.00 O ATOM 1740 CB ILE A 118 -4.668 -4.808 -20.256 1.00 0.00 C ATOM 1741 CG1 ILE A 118 -5.234 -4.699 -18.838 1.00 0.00 C ATOM 1742 CG2 ILE A 118 -5.210 -6.072 -20.924 1.00 0.00 C ATOM 1743 CD1 ILE A 118 -6.700 -4.265 -18.901 1.00 0.00 C ATOM 0 H ILE A 118 -3.279 -2.849 -19.546 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.841 -5.576 -19.409 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.966 -3.935 -20.836 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.150 -5.658 -18.328 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.656 -3.979 -18.259 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.298 -6.021 -20.970 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.807 -6.151 -21.934 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.912 -6.946 -20.345 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.100 -4.188 -17.890 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.772 -3.296 -19.394 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.274 -5.002 -19.464 1.00 0.00 H new ATOM 1755 N ALA A 119 -2.701 -4.544 -22.554 1.00 0.00 N ATOM 1756 CA ALA A 119 -2.188 -4.953 -23.892 1.00 0.00 C ATOM 1757 C ALA A 119 -0.711 -5.337 -23.779 1.00 0.00 C ATOM 1758 O ALA A 119 -0.300 -6.396 -24.211 1.00 0.00 O ATOM 1759 CB ALA A 119 -2.337 -3.787 -24.872 1.00 0.00 C ATOM 0 H ALA A 119 -3.121 -3.615 -22.515 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.758 -5.809 -24.253 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.962 -4.085 -25.851 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.389 -3.513 -24.954 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.766 -2.932 -24.510 1.00 0.00 H new ATOM 1765 N ASP A 120 0.092 -4.484 -23.204 1.00 0.00 N ATOM 1766 CA ASP A 120 1.543 -4.798 -23.066 1.00 0.00 C ATOM 1767 C ASP A 120 1.718 -6.050 -22.202 1.00 0.00 C ATOM 1768 O ASP A 120 2.732 -6.717 -22.259 1.00 0.00 O ATOM 1769 CB ASP A 120 2.257 -3.618 -22.403 1.00 0.00 C ATOM 1770 CG ASP A 120 3.625 -4.071 -21.891 1.00 0.00 C ATOM 1771 OD1 ASP A 120 4.359 -4.666 -22.663 1.00 0.00 O ATOM 1772 OD2 ASP A 120 3.916 -3.815 -20.734 1.00 0.00 O ATOM 0 H ASP A 120 -0.194 -3.582 -22.823 1.00 0.00 H new ATOM 0 HA ASP A 120 1.971 -4.977 -24.053 1.00 0.00 H new ATOM 0 HB2 ASP A 120 2.376 -2.803 -23.117 1.00 0.00 H new ATOM 0 HB3 ASP A 120 1.657 -3.233 -21.578 1.00 0.00 H new ATOM 1777 N TYR A 121 0.738 -6.373 -21.403 1.00 0.00 N ATOM 1778 CA TYR A 121 0.849 -7.579 -20.536 1.00 0.00 C ATOM 1779 C TYR A 121 0.743 -8.836 -21.400 1.00 0.00 C ATOM 1780 O TYR A 121 1.605 -9.692 -21.377 1.00 0.00 O ATOM 1781 CB TYR A 121 -0.280 -7.569 -19.505 1.00 0.00 C ATOM 1782 CG TYR A 121 0.087 -8.462 -18.344 1.00 0.00 C ATOM 1783 CD1 TYR A 121 1.220 -8.177 -17.573 1.00 0.00 C ATOM 1784 CD2 TYR A 121 -0.707 -9.574 -18.038 1.00 0.00 C ATOM 1785 CE1 TYR A 121 1.560 -9.005 -16.496 1.00 0.00 C ATOM 1786 CE2 TYR A 121 -0.367 -10.402 -16.962 1.00 0.00 C ATOM 1787 CZ TYR A 121 0.766 -10.117 -16.191 1.00 0.00 C ATOM 1788 OH TYR A 121 1.102 -10.932 -15.129 1.00 0.00 O ATOM 0 H TYR A 121 -0.135 -5.853 -21.313 1.00 0.00 H new ATOM 0 HA TYR A 121 1.810 -7.573 -20.021 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.456 -6.552 -19.154 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -1.207 -7.913 -19.963 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.832 -7.319 -17.809 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -1.582 -9.793 -18.632 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.434 -8.786 -15.901 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -0.979 -11.260 -16.727 1.00 0.00 H new ATOM 0 HH TYR A 121 1.103 -11.867 -15.422 1.00 0.00 H new ATOM 1798 N LYS A 122 -0.307 -8.953 -22.165 1.00 0.00 N ATOM 1799 CA LYS A 122 -0.465 -10.154 -23.032 1.00 0.00 C ATOM 1800 C LYS A 122 0.637 -10.162 -24.092 1.00 0.00 C ATOM 1801 O LYS A 122 1.128 -11.201 -24.484 1.00 0.00 O ATOM 1802 CB LYS A 122 -1.833 -10.114 -23.718 1.00 0.00 C ATOM 1803 CG LYS A 122 -2.912 -10.583 -22.740 1.00 0.00 C ATOM 1804 CD LYS A 122 -4.208 -10.859 -23.503 1.00 0.00 C ATOM 1805 CE LYS A 122 -5.294 -11.299 -22.520 1.00 0.00 C ATOM 1806 NZ LYS A 122 -6.631 -10.904 -23.047 1.00 0.00 N ATOM 0 H LYS A 122 -1.062 -8.270 -22.227 1.00 0.00 H new ATOM 0 HA LYS A 122 -0.392 -11.055 -22.423 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.051 -9.102 -24.058 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.827 -10.752 -24.602 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -2.583 -11.485 -22.224 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.082 -9.823 -21.977 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.526 -9.963 -24.036 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.044 -11.634 -24.251 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.253 -12.379 -22.375 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.125 -10.840 -21.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.370 -11.203 -22.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.667 -9.871 -23.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.791 -11.362 -23.967 1.00 0.00 H new ATOM 1820 N ALA A 123 1.030 -9.008 -24.559 1.00 0.00 N ATOM 1821 CA ALA A 123 2.100 -8.948 -25.594 1.00 0.00 C ATOM 1822 C ALA A 123 3.308 -9.764 -25.127 1.00 0.00 C ATOM 1823 O ALA A 123 3.948 -10.443 -25.904 1.00 0.00 O ATOM 1824 CB ALA A 123 2.522 -7.493 -25.805 1.00 0.00 C ATOM 0 H ALA A 123 0.656 -8.105 -24.268 1.00 0.00 H new ATOM 0 HA ALA A 123 1.723 -9.359 -26.531 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.305 -7.447 -26.562 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.663 -6.909 -26.136 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.899 -7.084 -24.868 1.00 0.00 H new ATOM 1830 N LYS A 124 3.624 -9.701 -23.862 1.00 0.00 N ATOM 1831 CA LYS A 124 4.790 -10.472 -23.347 1.00 0.00 C ATOM 1832 C LYS A 124 4.323 -11.856 -22.889 1.00 0.00 C ATOM 1833 O LYS A 124 4.673 -12.319 -21.822 1.00 0.00 O ATOM 1834 CB LYS A 124 5.411 -9.727 -22.164 1.00 0.00 C ATOM 1835 CG LYS A 124 6.933 -9.709 -22.312 1.00 0.00 C ATOM 1836 CD LYS A 124 7.544 -8.838 -21.212 1.00 0.00 C ATOM 1837 CE LYS A 124 9.016 -9.210 -21.024 1.00 0.00 C ATOM 1838 NZ LYS A 124 9.788 -7.999 -20.629 1.00 0.00 N ATOM 0 H LYS A 124 3.125 -9.149 -23.164 1.00 0.00 H new ATOM 0 HA LYS A 124 5.532 -10.581 -24.138 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.027 -8.708 -22.121 1.00 0.00 H new ATOM 0 HB3 LYS A 124 5.132 -10.212 -21.229 1.00 0.00 H new ATOM 0 HG2 LYS A 124 7.327 -10.723 -22.248 1.00 0.00 H new ATOM 0 HG3 LYS A 124 7.209 -9.321 -23.293 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.455 -7.784 -21.477 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.000 -8.979 -20.278 1.00 0.00 H new ATOM 0 HE2 LYS A 124 9.112 -9.981 -20.260 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.418 -9.625 -21.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.805 -8.182 -20.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.508 -7.198 -21.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.590 -7.771 -19.634 1.00 0.00 H new