USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=20 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 63 CYS SG : rot 180:sc= 0.52 USER MOD Set 1.2: A 65 SER OG : rot -76:sc= 0.577 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.87! C(o=-2.9!,f=-0.44!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.26! K(o=-1.3!,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 46 LYS NZ :NH3+ 147:sc= -0.337 (180deg=-2.03!) USER MOD Single : A 50 ASN : amide:sc= -3.82! C(o=-3.8!,f=-4.9!) 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 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.105 USER MOD Single : A 70 SER OG : rot -95:sc= -0.401 USER MOD Single : A 71 SER OG : rot 92:sc= 1.19 USER MOD Single : A 74 THR OG1 : rot -114:sc= 0.283 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.9!) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0044 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 103 LYS NZ :NH3+ 142:sc= -0.337 (180deg=-2.06!) USER MOD Single : A 105 HIS : no HD1:sc= -0.444 K(o=-0.44,f=-1.5!) USER MOD Single : A 106 CYS SG : rot 70:sc= 0.432 USER MOD Single : A 107 SER OG : rot 180:sc= -1.12 USER MOD Single : A 115 LYS NZ :NH3+ 163:sc= -0.0402 (180deg=-0.613) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ -148:sc= -0.5 (180deg=-2.35!) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 9.723 -8.163 -16.325 1.00 0.00 N ATOM 375 CA ASP A 24 9.073 -9.406 -15.822 1.00 0.00 C ATOM 376 C ASP A 24 7.757 -9.630 -16.571 1.00 0.00 C ATOM 377 O ASP A 24 6.967 -8.723 -16.739 1.00 0.00 O ATOM 378 CB ASP A 24 8.792 -9.267 -14.324 1.00 0.00 C ATOM 379 CG ASP A 24 9.706 -10.215 -13.543 1.00 0.00 C ATOM 380 OD1 ASP A 24 10.909 -10.133 -13.728 1.00 0.00 O ATOM 381 OD2 ASP A 24 9.187 -11.004 -12.772 1.00 0.00 O ATOM 0 HA ASP A 24 9.735 -10.256 -15.988 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.960 -8.238 -14.006 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.747 -9.498 -14.116 1.00 0.00 H new ATOM 386 N SER A 25 7.517 -10.830 -17.021 1.00 0.00 N ATOM 387 CA SER A 25 6.253 -11.111 -17.758 1.00 0.00 C ATOM 388 C SER A 25 5.064 -10.937 -16.812 1.00 0.00 C ATOM 389 O SER A 25 3.940 -11.253 -17.147 1.00 0.00 O ATOM 390 CB SER A 25 6.279 -12.546 -18.285 1.00 0.00 C ATOM 391 OG SER A 25 6.687 -12.537 -19.647 1.00 0.00 O ATOM 0 H SER A 25 8.142 -11.629 -16.910 1.00 0.00 H new ATOM 0 HA SER A 25 6.157 -10.419 -18.594 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.964 -13.152 -17.692 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.292 -12.998 -18.192 1.00 0.00 H new ATOM 0 HG SER A 25 6.707 -13.455 -19.989 1.00 0.00 H new ATOM 397 N ASN A 26 5.305 -10.438 -15.631 1.00 0.00 N ATOM 398 CA ASN A 26 4.191 -10.243 -14.663 1.00 0.00 C ATOM 399 C ASN A 26 4.010 -8.749 -14.389 1.00 0.00 C ATOM 400 O ASN A 26 3.192 -8.351 -13.584 1.00 0.00 O ATOM 401 CB ASN A 26 4.522 -10.965 -13.355 1.00 0.00 C ATOM 402 CG ASN A 26 3.686 -12.242 -13.251 1.00 0.00 C ATOM 403 OD1 ASN A 26 2.838 -12.357 -12.388 1.00 0.00 O ATOM 404 ND2 ASN A 26 3.890 -13.212 -14.100 1.00 0.00 N ATOM 0 H ASN A 26 6.226 -10.157 -15.295 1.00 0.00 H new ATOM 0 HA ASN A 26 3.270 -10.650 -15.080 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.584 -11.209 -13.321 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.317 -10.313 -12.506 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.338 -14.067 -14.040 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.602 -13.115 -14.824 1.00 0.00 H new ATOM 411 N VAL A 27 4.765 -7.918 -15.055 1.00 0.00 N ATOM 412 CA VAL A 27 4.634 -6.451 -14.831 1.00 0.00 C ATOM 413 C VAL A 27 4.296 -5.757 -16.152 1.00 0.00 C ATOM 414 O VAL A 27 5.171 -5.384 -16.907 1.00 0.00 O ATOM 415 CB VAL A 27 5.952 -5.895 -14.290 1.00 0.00 C ATOM 416 CG1 VAL A 27 5.932 -4.368 -14.373 1.00 0.00 C ATOM 417 CG2 VAL A 27 6.126 -6.321 -12.830 1.00 0.00 C ATOM 0 H VAL A 27 5.466 -8.192 -15.744 1.00 0.00 H new ATOM 0 HA VAL A 27 3.838 -6.268 -14.110 1.00 0.00 H new ATOM 0 HB VAL A 27 6.780 -6.283 -14.884 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.871 -3.970 -13.988 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.807 -4.062 -15.412 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.104 -3.982 -13.779 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.065 -5.925 -12.445 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.298 -5.933 -12.237 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.139 -7.409 -12.768 1.00 0.00 H new ATOM 427 N GLY A 28 3.036 -5.573 -16.433 1.00 0.00 N ATOM 428 CA GLY A 28 2.649 -4.894 -17.703 1.00 0.00 C ATOM 429 C GLY A 28 2.919 -3.394 -17.573 1.00 0.00 C ATOM 430 O GLY A 28 2.944 -2.852 -16.486 1.00 0.00 O ATOM 0 H GLY A 28 2.258 -5.862 -15.840 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.216 -5.307 -18.538 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.594 -5.069 -17.916 1.00 0.00 H new ATOM 434 N THR A 29 3.126 -2.717 -18.669 1.00 0.00 N ATOM 435 CA THR A 29 3.398 -1.253 -18.595 1.00 0.00 C ATOM 436 C THR A 29 2.509 -0.509 -19.594 1.00 0.00 C ATOM 437 O THR A 29 2.590 -0.717 -20.788 1.00 0.00 O ATOM 438 CB THR A 29 4.870 -0.989 -18.927 1.00 0.00 C ATOM 439 OG1 THR A 29 5.687 -1.886 -18.189 1.00 0.00 O ATOM 440 CG2 THR A 29 5.226 0.451 -18.558 1.00 0.00 C ATOM 0 H THR A 29 3.119 -3.112 -19.609 1.00 0.00 H new ATOM 0 HA THR A 29 3.181 -0.898 -17.587 1.00 0.00 H new ATOM 0 HB THR A 29 5.037 -1.140 -19.994 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.629 -1.720 -18.401 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.273 0.639 -18.794 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.597 1.138 -19.125 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.061 0.605 -17.492 1.00 0.00 H new ATOM 448 N GLY A 30 1.664 0.362 -19.112 1.00 0.00 N ATOM 449 CA GLY A 30 0.773 1.128 -20.029 1.00 0.00 C ATOM 450 C GLY A 30 1.076 2.621 -19.892 1.00 0.00 C ATOM 451 O GLY A 30 0.538 3.296 -19.037 1.00 0.00 O ATOM 0 H GLY A 30 1.552 0.576 -18.121 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.928 0.806 -21.059 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.272 0.933 -19.788 1.00 0.00 H new ATOM 455 N MET A 31 1.939 3.140 -20.721 1.00 0.00 N ATOM 456 CA MET A 31 2.279 4.588 -20.628 1.00 0.00 C ATOM 457 C MET A 31 1.374 5.398 -21.558 1.00 0.00 C ATOM 458 O MET A 31 1.199 5.070 -22.714 1.00 0.00 O ATOM 459 CB MET A 31 3.740 4.795 -21.035 1.00 0.00 C ATOM 460 CG MET A 31 4.399 5.792 -20.082 1.00 0.00 C ATOM 461 SD MET A 31 5.800 6.583 -20.910 1.00 0.00 S ATOM 462 CE MET A 31 5.827 8.095 -19.916 1.00 0.00 C ATOM 0 H MET A 31 2.423 2.626 -21.457 1.00 0.00 H new ATOM 0 HA MET A 31 2.131 4.924 -19.602 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.274 3.845 -21.010 1.00 0.00 H new ATOM 0 HB3 MET A 31 3.794 5.164 -22.059 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.676 6.545 -19.769 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.737 5.281 -19.181 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.632 8.743 -20.261 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.874 8.614 -20.018 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.991 7.839 -18.869 1.00 0.00 H new ATOM 472 N VAL A 32 0.802 6.459 -21.058 1.00 0.00 N ATOM 473 CA VAL A 32 -0.087 7.301 -21.905 1.00 0.00 C ATOM 474 C VAL A 32 0.088 8.768 -21.506 1.00 0.00 C ATOM 475 O VAL A 32 0.826 9.086 -20.596 1.00 0.00 O ATOM 476 CB VAL A 32 -1.544 6.884 -21.696 1.00 0.00 C ATOM 477 CG1 VAL A 32 -1.762 5.483 -22.270 1.00 0.00 C ATOM 478 CG2 VAL A 32 -1.862 6.876 -20.200 1.00 0.00 C ATOM 0 H VAL A 32 0.913 6.779 -20.096 1.00 0.00 H new ATOM 0 HA VAL A 32 0.175 7.170 -22.955 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.200 7.591 -22.204 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.800 5.186 -22.121 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.535 5.487 -23.336 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.106 4.776 -21.762 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.900 6.579 -20.050 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.206 6.169 -19.692 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.707 7.874 -19.790 1.00 0.00 H new ATOM 488 N GLY A 33 -0.581 9.664 -22.175 1.00 0.00 N ATOM 489 CA GLY A 33 -0.441 11.105 -21.822 1.00 0.00 C ATOM 490 C GLY A 33 -1.108 11.966 -22.895 1.00 0.00 C ATOM 491 O GLY A 33 -1.633 11.467 -23.870 1.00 0.00 O ATOM 0 H GLY A 33 -1.216 9.463 -22.948 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.898 11.298 -20.851 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.613 11.367 -21.735 1.00 0.00 H new ATOM 495 N ALA A 34 -1.090 13.260 -22.721 1.00 0.00 N ATOM 496 CA ALA A 34 -1.720 14.157 -23.729 1.00 0.00 C ATOM 497 C ALA A 34 -0.654 15.084 -24.320 1.00 0.00 C ATOM 498 O ALA A 34 -0.508 16.216 -23.905 1.00 0.00 O ATOM 499 CB ALA A 34 -2.809 14.994 -23.053 1.00 0.00 C ATOM 0 H ALA A 34 -0.666 13.734 -21.924 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.163 13.559 -24.525 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.272 15.652 -23.789 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.566 14.333 -22.630 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.366 15.594 -22.258 1.00 0.00 H new ATOM 505 N PRO A 35 0.085 14.604 -25.284 1.00 0.00 N ATOM 506 CA PRO A 35 1.157 15.399 -25.945 1.00 0.00 C ATOM 507 C PRO A 35 0.702 16.827 -26.257 1.00 0.00 C ATOM 508 O PRO A 35 1.491 17.676 -26.621 1.00 0.00 O ATOM 509 CB PRO A 35 1.433 14.624 -27.232 1.00 0.00 C ATOM 510 CG PRO A 35 1.077 13.206 -26.920 1.00 0.00 C ATOM 511 CD PRO A 35 -0.019 13.249 -25.850 1.00 0.00 C ATOM 0 HA PRO A 35 2.037 15.513 -25.311 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.835 15.007 -28.058 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.478 14.712 -27.528 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.725 12.690 -27.813 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.948 12.659 -26.559 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.004 13.072 -26.281 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.138 12.486 -25.088 1.00 0.00 H new ATOM 519 N ALA A 36 -0.568 17.097 -26.115 1.00 0.00 N ATOM 520 CA ALA A 36 -1.076 18.467 -26.398 1.00 0.00 C ATOM 521 C ALA A 36 -0.701 19.394 -25.241 1.00 0.00 C ATOM 522 O ALA A 36 -1.292 20.439 -25.052 1.00 0.00 O ATOM 523 CB ALA A 36 -2.599 18.424 -26.542 1.00 0.00 C ATOM 0 H ALA A 36 -1.275 16.426 -25.815 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.633 18.838 -27.322 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.973 19.427 -26.749 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.868 17.759 -27.363 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.042 18.056 -25.617 1.00 0.00 H new ATOM 529 N CYS A 37 0.280 19.017 -24.465 1.00 0.00 N ATOM 530 CA CYS A 37 0.697 19.872 -23.317 1.00 0.00 C ATOM 531 C CYS A 37 -0.175 19.551 -22.101 1.00 0.00 C ATOM 532 O CYS A 37 0.173 19.856 -20.978 1.00 0.00 O ATOM 533 CB CYS A 37 0.530 21.346 -23.687 1.00 0.00 C ATOM 534 SG CYS A 37 1.782 22.331 -22.825 1.00 0.00 S ATOM 0 H CYS A 37 0.811 18.153 -24.577 1.00 0.00 H new ATOM 0 HA CYS A 37 1.742 19.675 -23.080 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.629 21.475 -24.765 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.468 21.689 -23.416 1.00 0.00 H new ATOM 0 HG CYS A 37 1.641 23.584 -23.141 1.00 0.00 H new ATOM 540 N GLY A 38 -1.306 18.940 -22.317 1.00 0.00 N ATOM 541 CA GLY A 38 -2.200 18.602 -21.175 1.00 0.00 C ATOM 542 C GLY A 38 -1.366 18.043 -20.021 1.00 0.00 C ATOM 543 O GLY A 38 -1.481 18.479 -18.893 1.00 0.00 O ATOM 0 H GLY A 38 -1.650 18.660 -23.235 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.742 19.490 -20.849 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.945 17.870 -21.487 1.00 0.00 H new ATOM 547 N ASP A 39 -0.526 17.081 -20.296 1.00 0.00 N ATOM 548 CA ASP A 39 0.321 16.490 -19.218 1.00 0.00 C ATOM 549 C ASP A 39 0.693 15.053 -19.593 1.00 0.00 C ATOM 550 O ASP A 39 0.185 14.496 -20.546 1.00 0.00 O ATOM 551 CB ASP A 39 -0.457 16.490 -17.898 1.00 0.00 C ATOM 552 CG ASP A 39 0.008 15.326 -17.020 1.00 0.00 C ATOM 553 OD1 ASP A 39 -0.511 14.235 -17.192 1.00 0.00 O ATOM 554 OD2 ASP A 39 0.877 15.544 -16.191 1.00 0.00 O ATOM 0 H ASP A 39 -0.389 16.678 -21.223 1.00 0.00 H new ATOM 0 HA ASP A 39 1.229 17.082 -19.103 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.304 17.435 -17.376 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.526 16.404 -18.095 1.00 0.00 H new ATOM 559 N VAL A 40 1.574 14.447 -18.843 1.00 0.00 N ATOM 560 CA VAL A 40 1.977 13.045 -19.148 1.00 0.00 C ATOM 561 C VAL A 40 1.500 12.128 -18.019 1.00 0.00 C ATOM 562 O VAL A 40 1.387 12.538 -16.881 1.00 0.00 O ATOM 563 CB VAL A 40 3.501 12.964 -19.262 1.00 0.00 C ATOM 564 CG1 VAL A 40 3.909 11.543 -19.654 1.00 0.00 C ATOM 565 CG2 VAL A 40 3.984 13.947 -20.333 1.00 0.00 C ATOM 0 H VAL A 40 2.032 14.863 -18.032 1.00 0.00 H new ATOM 0 HA VAL A 40 1.528 12.731 -20.090 1.00 0.00 H new ATOM 0 HB VAL A 40 3.951 13.219 -18.303 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.994 11.485 -19.735 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.564 10.843 -18.893 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.459 11.287 -20.613 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.069 13.891 -20.416 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.533 13.691 -21.292 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.693 14.960 -20.055 1.00 0.00 H new ATOM 575 N MET A 41 1.217 10.890 -18.321 1.00 0.00 N ATOM 576 CA MET A 41 0.746 9.958 -17.260 1.00 0.00 C ATOM 577 C MET A 41 1.268 8.547 -17.541 1.00 0.00 C ATOM 578 O MET A 41 1.315 8.105 -18.671 1.00 0.00 O ATOM 579 CB MET A 41 -0.784 9.938 -17.240 1.00 0.00 C ATOM 580 CG MET A 41 -1.269 8.936 -16.188 1.00 0.00 C ATOM 581 SD MET A 41 -2.369 7.728 -16.966 1.00 0.00 S ATOM 582 CE MET A 41 -3.343 7.327 -15.496 1.00 0.00 C ATOM 0 H MET A 41 1.292 10.485 -19.254 1.00 0.00 H new ATOM 0 HA MET A 41 1.121 10.296 -16.294 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.168 10.933 -17.014 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.167 9.664 -18.223 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.418 8.429 -15.734 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.793 9.458 -15.388 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.098 6.584 -15.752 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.687 6.927 -14.723 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.832 8.228 -15.126 1.00 0.00 H new ATOM 592 N GLN A 42 1.660 7.837 -16.519 1.00 0.00 N ATOM 593 CA GLN A 42 2.177 6.454 -16.725 1.00 0.00 C ATOM 594 C GLN A 42 1.455 5.497 -15.775 1.00 0.00 C ATOM 595 O GLN A 42 1.117 5.850 -14.662 1.00 0.00 O ATOM 596 CB GLN A 42 3.680 6.424 -16.439 1.00 0.00 C ATOM 597 CG GLN A 42 4.140 4.975 -16.270 1.00 0.00 C ATOM 598 CD GLN A 42 5.663 4.938 -16.125 1.00 0.00 C ATOM 599 OE1 GLN A 42 6.253 3.878 -16.058 1.00 0.00 O ATOM 600 NE2 GLN A 42 6.328 6.059 -16.073 1.00 0.00 N ATOM 0 H GLN A 42 1.645 8.155 -15.550 1.00 0.00 H new ATOM 0 HA GLN A 42 1.999 6.146 -17.755 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.226 6.897 -17.256 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.900 6.994 -15.536 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.669 4.533 -15.392 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.831 4.381 -17.130 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.833 6.949 -16.129 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.343 6.046 -15.976 1.00 0.00 H new ATOM 609 N LEU A 43 1.211 4.289 -16.203 1.00 0.00 N ATOM 610 CA LEU A 43 0.507 3.316 -15.322 1.00 0.00 C ATOM 611 C LEU A 43 1.206 1.957 -15.397 1.00 0.00 C ATOM 612 O LEU A 43 1.608 1.510 -16.453 1.00 0.00 O ATOM 613 CB LEU A 43 -0.944 3.167 -15.785 1.00 0.00 C ATOM 614 CG LEU A 43 -1.750 2.427 -14.715 1.00 0.00 C ATOM 615 CD1 LEU A 43 -2.742 3.393 -14.064 1.00 0.00 C ATOM 616 CD2 LEU A 43 -2.516 1.272 -15.363 1.00 0.00 C ATOM 0 H LEU A 43 1.469 3.934 -17.124 1.00 0.00 H new ATOM 0 HA LEU A 43 0.527 3.678 -14.294 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.380 4.149 -15.969 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.982 2.619 -16.727 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.073 2.035 -13.956 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.316 2.866 -13.302 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.198 4.217 -13.603 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.420 3.785 -14.823 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.091 0.744 -14.602 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.193 1.665 -16.121 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.811 0.583 -15.828 1.00 0.00 H new ATOM 628 N GLN A 44 1.354 1.295 -14.282 1.00 0.00 N ATOM 629 CA GLN A 44 2.024 -0.035 -14.287 1.00 0.00 C ATOM 630 C GLN A 44 1.165 -1.039 -13.515 1.00 0.00 C ATOM 631 O GLN A 44 0.647 -0.743 -12.457 1.00 0.00 O ATOM 632 CB GLN A 44 3.397 0.081 -13.619 1.00 0.00 C ATOM 633 CG GLN A 44 4.280 -1.087 -14.063 1.00 0.00 C ATOM 634 CD GLN A 44 5.573 -1.092 -13.245 1.00 0.00 C ATOM 635 OE1 GLN A 44 5.546 -1.260 -12.043 1.00 0.00 O ATOM 636 NE2 GLN A 44 6.716 -0.913 -13.852 1.00 0.00 N ATOM 0 H GLN A 44 1.039 1.619 -13.367 1.00 0.00 H new ATOM 0 HA GLN A 44 2.149 -0.376 -15.315 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.865 1.028 -13.888 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.287 0.076 -12.535 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.749 -2.029 -13.928 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.510 -0.999 -15.125 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.741 -0.772 -14.862 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.584 -0.915 -13.316 1.00 0.00 H new ATOM 645 N ILE A 45 1.006 -2.225 -14.037 1.00 0.00 N ATOM 646 CA ILE A 45 0.177 -3.242 -13.333 1.00 0.00 C ATOM 647 C ILE A 45 1.034 -4.466 -13.003 1.00 0.00 C ATOM 648 O ILE A 45 1.752 -4.979 -13.839 1.00 0.00 O ATOM 649 CB ILE A 45 -0.990 -3.666 -14.228 1.00 0.00 C ATOM 650 CG1 ILE A 45 -0.624 -3.434 -15.697 1.00 0.00 C ATOM 651 CG2 ILE A 45 -2.229 -2.839 -13.877 1.00 0.00 C ATOM 652 CD1 ILE A 45 -1.283 -4.509 -16.563 1.00 0.00 C ATOM 0 H ILE A 45 1.414 -2.532 -14.920 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.211 -2.810 -12.410 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.199 -4.724 -14.070 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.954 -2.444 -16.013 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.458 -3.464 -15.822 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.060 -3.141 -14.514 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.493 -3.005 -12.833 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.017 -1.781 -14.034 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.023 -4.344 -17.609 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.931 -5.493 -16.252 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.365 -4.457 -16.446 1.00 0.00 H new ATOM 664 N LYS A 46 0.963 -4.940 -11.788 1.00 0.00 N ATOM 665 CA LYS A 46 1.769 -6.131 -11.402 1.00 0.00 C ATOM 666 C LYS A 46 0.828 -7.286 -11.052 1.00 0.00 C ATOM 667 O LYS A 46 0.015 -7.186 -10.155 1.00 0.00 O ATOM 668 CB LYS A 46 2.634 -5.791 -10.186 1.00 0.00 C ATOM 669 CG LYS A 46 3.386 -7.042 -9.726 1.00 0.00 C ATOM 670 CD LYS A 46 4.531 -6.636 -8.797 1.00 0.00 C ATOM 671 CE LYS A 46 4.481 -7.483 -7.525 1.00 0.00 C ATOM 672 NZ LYS A 46 4.183 -8.898 -7.881 1.00 0.00 N ATOM 0 H LYS A 46 0.380 -4.552 -11.046 1.00 0.00 H new ATOM 0 HA LYS A 46 2.412 -6.422 -12.233 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.342 -5.002 -10.439 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.009 -5.412 -9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.706 -7.718 -9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.777 -7.582 -10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.488 -6.773 -9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.452 -5.578 -8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.433 -7.422 -6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.717 -7.098 -6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.666 -9.533 -7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.157 -9.060 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.518 -9.091 -8.847 1.00 0.00 H new ATOM 686 N VAL A 47 0.927 -8.379 -11.757 1.00 0.00 N ATOM 687 CA VAL A 47 0.032 -9.535 -11.466 1.00 0.00 C ATOM 688 C VAL A 47 0.766 -10.546 -10.582 1.00 0.00 C ATOM 689 O VAL A 47 1.851 -10.990 -10.898 1.00 0.00 O ATOM 690 CB VAL A 47 -0.369 -10.209 -12.779 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.059 -11.541 -12.478 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.330 -9.300 -13.546 1.00 0.00 C ATOM 0 H VAL A 47 1.588 -8.522 -12.521 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.859 -9.180 -10.947 1.00 0.00 H new ATOM 0 HB VAL A 47 0.521 -10.388 -13.382 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.345 -12.022 -13.413 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.375 -12.190 -11.931 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.949 -11.362 -11.875 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.616 -9.780 -14.482 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.220 -9.121 -12.943 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.840 -8.350 -13.760 1.00 0.00 H new ATOM 702 N ASP A 48 0.176 -10.917 -9.478 1.00 0.00 N ATOM 703 CA ASP A 48 0.837 -11.904 -8.579 1.00 0.00 C ATOM 704 C ASP A 48 1.134 -13.180 -9.369 1.00 0.00 C ATOM 705 O ASP A 48 2.270 -13.588 -9.503 1.00 0.00 O ATOM 706 CB ASP A 48 -0.096 -12.228 -7.408 1.00 0.00 C ATOM 707 CG ASP A 48 0.188 -13.644 -6.899 1.00 0.00 C ATOM 708 OD1 ASP A 48 -0.119 -14.582 -7.615 1.00 0.00 O ATOM 709 OD2 ASP A 48 0.706 -13.764 -5.801 1.00 0.00 O ATOM 0 H ASP A 48 -0.733 -10.580 -9.161 1.00 0.00 H new ATOM 0 HA ASP A 48 1.768 -11.489 -8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.049 -11.506 -6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.136 -12.147 -7.725 1.00 0.00 H new ATOM 714 N ASP A 49 0.118 -13.808 -9.895 1.00 0.00 N ATOM 715 CA ASP A 49 0.331 -15.056 -10.682 1.00 0.00 C ATOM 716 C ASP A 49 -1.003 -15.790 -10.832 1.00 0.00 C ATOM 717 O ASP A 49 -1.186 -16.587 -11.731 1.00 0.00 O ATOM 718 CB ASP A 49 1.332 -15.957 -9.954 1.00 0.00 C ATOM 719 CG ASP A 49 1.098 -17.414 -10.364 1.00 0.00 C ATOM 720 OD1 ASP A 49 0.266 -18.056 -9.747 1.00 0.00 O ATOM 721 OD2 ASP A 49 1.756 -17.860 -11.289 1.00 0.00 O ATOM 0 H ASP A 49 -0.854 -13.509 -9.813 1.00 0.00 H new ATOM 0 HA ASP A 49 0.724 -14.805 -11.667 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.351 -15.658 -10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.218 -15.849 -8.875 1.00 0.00 H new ATOM 726 N ASN A 50 -1.935 -15.526 -9.959 1.00 0.00 N ATOM 727 CA ASN A 50 -3.258 -16.207 -10.050 1.00 0.00 C ATOM 728 C ASN A 50 -4.218 -15.347 -10.874 1.00 0.00 C ATOM 729 O ASN A 50 -5.315 -15.759 -11.195 1.00 0.00 O ATOM 730 CB ASN A 50 -3.825 -16.404 -8.642 1.00 0.00 C ATOM 731 CG ASN A 50 -2.829 -15.870 -7.611 1.00 0.00 C ATOM 732 OD1 ASN A 50 -1.680 -16.263 -7.600 1.00 0.00 O ATOM 733 ND2 ASN A 50 -3.225 -14.984 -6.738 1.00 0.00 N ATOM 0 H ASN A 50 -1.838 -14.868 -9.186 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.138 -17.177 -10.532 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.778 -15.884 -8.546 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.020 -17.461 -8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.569 -14.621 -6.046 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.190 -14.654 -6.748 1.00 0.00 H new ATOM 740 N GLY A 51 -3.817 -14.154 -11.217 1.00 0.00 N ATOM 741 CA GLY A 51 -4.708 -13.271 -12.018 1.00 0.00 C ATOM 742 C GLY A 51 -5.113 -12.055 -11.181 1.00 0.00 C ATOM 743 O GLY A 51 -6.067 -11.369 -11.487 1.00 0.00 O ATOM 0 H GLY A 51 -2.910 -13.753 -10.977 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.196 -12.947 -12.924 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.595 -13.821 -12.332 1.00 0.00 H new ATOM 747 N ILE A 52 -4.396 -11.785 -10.125 1.00 0.00 N ATOM 748 CA ILE A 52 -4.742 -10.614 -9.270 1.00 0.00 C ATOM 749 C ILE A 52 -3.631 -9.566 -9.365 1.00 0.00 C ATOM 750 O ILE A 52 -2.480 -9.886 -9.584 1.00 0.00 O ATOM 751 CB ILE A 52 -4.888 -11.068 -7.817 1.00 0.00 C ATOM 752 CG1 ILE A 52 -5.901 -12.212 -7.739 1.00 0.00 C ATOM 753 CG2 ILE A 52 -5.378 -9.898 -6.963 1.00 0.00 C ATOM 754 CD1 ILE A 52 -7.244 -11.744 -8.300 1.00 0.00 C ATOM 0 H ILE A 52 -3.586 -12.324 -9.817 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.682 -10.181 -9.613 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.922 -11.410 -7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.539 -13.071 -8.303 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.020 -12.537 -6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.482 -10.222 -5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.658 -9.081 -7.017 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.344 -9.556 -7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.965 -12.559 -8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.607 -10.898 -7.717 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.118 -11.441 -9.339 1.00 0.00 H new ATOM 766 N ILE A 53 -3.965 -8.314 -9.200 1.00 0.00 N ATOM 767 CA ILE A 53 -2.924 -7.250 -9.278 1.00 0.00 C ATOM 768 C ILE A 53 -2.261 -7.088 -7.909 1.00 0.00 C ATOM 769 O ILE A 53 -2.543 -6.158 -7.181 1.00 0.00 O ATOM 770 CB ILE A 53 -3.571 -5.926 -9.689 1.00 0.00 C ATOM 771 CG1 ILE A 53 -4.398 -6.133 -10.961 1.00 0.00 C ATOM 772 CG2 ILE A 53 -2.480 -4.888 -9.955 1.00 0.00 C ATOM 773 CD1 ILE A 53 -5.350 -4.950 -11.147 1.00 0.00 C ATOM 0 H ILE A 53 -4.912 -7.983 -9.015 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.174 -7.531 -10.018 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.221 -5.575 -8.887 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.740 -6.223 -11.825 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.964 -7.062 -10.893 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.940 -3.944 -10.248 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.891 -4.739 -9.050 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.831 -5.240 -10.757 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.939 -5.096 -12.052 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.017 -4.881 -10.287 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.773 -4.029 -11.234 1.00 0.00 H new ATOM 785 N GLU A 54 -1.382 -7.985 -7.555 1.00 0.00 N ATOM 786 CA GLU A 54 -0.702 -7.885 -6.233 1.00 0.00 C ATOM 787 C GLU A 54 -0.483 -6.413 -5.880 1.00 0.00 C ATOM 788 O GLU A 54 -0.779 -5.976 -4.784 1.00 0.00 O ATOM 789 CB GLU A 54 0.651 -8.596 -6.304 1.00 0.00 C ATOM 790 CG GLU A 54 0.990 -9.186 -4.933 1.00 0.00 C ATOM 791 CD GLU A 54 2.509 -9.301 -4.789 1.00 0.00 C ATOM 792 OE1 GLU A 54 3.115 -8.346 -4.333 1.00 0.00 O ATOM 793 OE2 GLU A 54 3.041 -10.342 -5.138 1.00 0.00 O ATOM 0 H GLU A 54 -1.105 -8.784 -8.125 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.323 -8.353 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.620 -9.386 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.427 -7.895 -6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.586 -8.553 -4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.528 -10.167 -4.823 1.00 0.00 H new ATOM 800 N ASP A 55 0.034 -5.643 -6.798 1.00 0.00 N ATOM 801 CA ASP A 55 0.272 -4.199 -6.515 1.00 0.00 C ATOM 802 C ASP A 55 0.223 -3.410 -7.825 1.00 0.00 C ATOM 803 O ASP A 55 0.237 -3.973 -8.900 1.00 0.00 O ATOM 804 CB ASP A 55 1.647 -4.028 -5.864 1.00 0.00 C ATOM 805 CG ASP A 55 1.655 -4.718 -4.499 1.00 0.00 C ATOM 806 OD1 ASP A 55 0.955 -4.251 -3.617 1.00 0.00 O ATOM 807 OD2 ASP A 55 2.361 -5.704 -4.360 1.00 0.00 O ATOM 0 H ASP A 55 0.302 -5.952 -7.732 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.498 -3.827 -5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.419 -4.455 -6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.878 -2.969 -5.749 1.00 0.00 H new ATOM 812 N ALA A 56 0.165 -2.109 -7.744 1.00 0.00 N ATOM 813 CA ALA A 56 0.114 -1.287 -8.986 1.00 0.00 C ATOM 814 C ALA A 56 0.928 -0.007 -8.787 1.00 0.00 C ATOM 815 O ALA A 56 0.678 0.765 -7.884 1.00 0.00 O ATOM 816 CB ALA A 56 -1.338 -0.925 -9.299 1.00 0.00 C ATOM 0 H ALA A 56 0.151 -1.580 -6.872 1.00 0.00 H new ATOM 0 HA ALA A 56 0.533 -1.857 -9.815 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.375 -0.324 -10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.917 -1.837 -9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.758 -0.356 -8.470 1.00 0.00 H new ATOM 822 N LYS A 57 1.900 0.226 -9.628 1.00 0.00 N ATOM 823 CA LYS A 57 2.727 1.458 -9.489 1.00 0.00 C ATOM 824 C LYS A 57 2.308 2.472 -10.555 1.00 0.00 C ATOM 825 O LYS A 57 2.004 2.117 -11.677 1.00 0.00 O ATOM 826 CB LYS A 57 4.205 1.103 -9.674 1.00 0.00 C ATOM 827 CG LYS A 57 5.069 2.316 -9.324 1.00 0.00 C ATOM 828 CD LYS A 57 6.473 2.130 -9.904 1.00 0.00 C ATOM 829 CE LYS A 57 6.663 3.061 -11.103 1.00 0.00 C ATOM 830 NZ LYS A 57 8.110 3.128 -11.455 1.00 0.00 N ATOM 0 H LYS A 57 2.156 -0.384 -10.405 1.00 0.00 H new ATOM 0 HA LYS A 57 2.579 1.888 -8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.470 0.259 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.390 0.796 -10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.617 3.224 -9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.124 2.436 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.223 2.344 -9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.616 1.094 -10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.087 2.698 -11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.289 4.057 -10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.240 3.761 -12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.648 3.494 -10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.453 2.176 -11.697 1.00 0.00 H new ATOM 844 N PHE A 58 2.286 3.732 -10.216 1.00 0.00 N ATOM 845 CA PHE A 58 1.881 4.761 -11.214 1.00 0.00 C ATOM 846 C PHE A 58 2.818 5.968 -11.116 1.00 0.00 C ATOM 847 O PHE A 58 3.686 6.028 -10.267 1.00 0.00 O ATOM 848 CB PHE A 58 0.446 5.209 -10.930 1.00 0.00 C ATOM 849 CG PHE A 58 0.434 6.124 -9.729 1.00 0.00 C ATOM 850 CD1 PHE A 58 0.496 5.586 -8.438 1.00 0.00 C ATOM 851 CD2 PHE A 58 0.362 7.511 -9.908 1.00 0.00 C ATOM 852 CE1 PHE A 58 0.485 6.436 -7.325 1.00 0.00 C ATOM 853 CE2 PHE A 58 0.351 8.360 -8.794 1.00 0.00 C ATOM 854 CZ PHE A 58 0.414 7.823 -7.503 1.00 0.00 C ATOM 0 H PHE A 58 2.530 4.092 -9.294 1.00 0.00 H new ATOM 0 HA PHE A 58 1.940 4.336 -12.216 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.036 5.725 -11.798 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.188 4.341 -10.746 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.552 4.516 -8.300 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.315 7.926 -10.904 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.531 6.021 -6.329 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.294 9.430 -8.931 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.408 8.478 -6.644 1.00 0.00 H new ATOM 864 N LYS A 59 2.647 6.931 -11.981 1.00 0.00 N ATOM 865 CA LYS A 59 3.523 8.135 -11.943 1.00 0.00 C ATOM 866 C LYS A 59 2.901 9.242 -12.798 1.00 0.00 C ATOM 867 O LYS A 59 2.480 9.013 -13.915 1.00 0.00 O ATOM 868 CB LYS A 59 4.905 7.780 -12.496 1.00 0.00 C ATOM 869 CG LYS A 59 5.905 8.871 -12.110 1.00 0.00 C ATOM 870 CD LYS A 59 6.672 8.439 -10.859 1.00 0.00 C ATOM 871 CE LYS A 59 7.026 9.673 -10.026 1.00 0.00 C ATOM 872 NZ LYS A 59 8.343 9.462 -9.362 1.00 0.00 N ATOM 0 H LYS A 59 1.937 6.935 -12.713 1.00 0.00 H new ATOM 0 HA LYS A 59 3.622 8.480 -10.914 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.230 6.818 -12.101 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.860 7.681 -13.581 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.599 9.051 -12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.382 9.809 -11.923 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.068 7.750 -10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.579 7.905 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.065 10.556 -10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.254 9.854 -9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.584 10.300 -8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.290 8.629 -8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.076 9.310 -10.084 1.00 0.00 H new ATOM 886 N THR A 60 2.837 10.439 -12.284 1.00 0.00 N ATOM 887 CA THR A 60 2.240 11.555 -13.071 1.00 0.00 C ATOM 888 C THR A 60 3.030 12.840 -12.816 1.00 0.00 C ATOM 889 O THR A 60 3.493 13.086 -11.721 1.00 0.00 O ATOM 890 CB THR A 60 0.784 11.759 -12.645 1.00 0.00 C ATOM 891 OG1 THR A 60 0.440 13.130 -12.784 1.00 0.00 O ATOM 892 CG2 THR A 60 0.615 11.332 -11.186 1.00 0.00 C ATOM 0 H THR A 60 3.172 10.693 -11.354 1.00 0.00 H new ATOM 0 HA THR A 60 2.277 11.310 -14.132 1.00 0.00 H new ATOM 0 HB THR A 60 0.131 11.156 -13.275 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.492 13.262 -12.513 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.422 11.477 -10.882 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.880 10.280 -11.082 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.266 11.934 -10.553 1.00 0.00 H new ATOM 900 N TYR A 61 3.188 13.659 -13.818 1.00 0.00 N ATOM 901 CA TYR A 61 3.948 14.926 -13.629 1.00 0.00 C ATOM 902 C TYR A 61 3.583 15.912 -14.741 1.00 0.00 C ATOM 903 O TYR A 61 3.756 15.635 -15.911 1.00 0.00 O ATOM 904 CB TYR A 61 5.449 14.630 -13.682 1.00 0.00 C ATOM 905 CG TYR A 61 5.706 13.519 -14.673 1.00 0.00 C ATOM 906 CD1 TYR A 61 5.889 13.818 -16.028 1.00 0.00 C ATOM 907 CD2 TYR A 61 5.760 12.190 -14.235 1.00 0.00 C ATOM 908 CE1 TYR A 61 6.127 12.788 -16.947 1.00 0.00 C ATOM 909 CE2 TYR A 61 5.998 11.160 -15.154 1.00 0.00 C ATOM 910 CZ TYR A 61 6.181 11.459 -16.509 1.00 0.00 C ATOM 911 OH TYR A 61 6.415 10.443 -17.413 1.00 0.00 O ATOM 0 H TYR A 61 2.824 13.506 -14.759 1.00 0.00 H new ATOM 0 HA TYR A 61 3.696 15.361 -12.662 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.998 15.526 -13.973 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.809 14.342 -12.694 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.847 14.843 -16.365 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.618 11.959 -13.189 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.269 13.019 -17.993 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.040 10.135 -14.817 1.00 0.00 H new ATOM 0 HH TYR A 61 6.422 9.583 -16.944 1.00 0.00 H new ATOM 921 N GLY A 62 3.079 17.061 -14.385 1.00 0.00 N ATOM 922 CA GLY A 62 2.704 18.062 -15.422 1.00 0.00 C ATOM 923 C GLY A 62 1.729 19.079 -14.827 1.00 0.00 C ATOM 924 O GLY A 62 2.007 20.261 -14.774 1.00 0.00 O ATOM 0 H GLY A 62 2.911 17.350 -13.421 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.595 18.570 -15.790 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.247 17.562 -16.276 1.00 0.00 H new ATOM 928 N CYS A 63 0.589 18.631 -14.381 1.00 0.00 N ATOM 929 CA CYS A 63 -0.402 19.576 -13.792 1.00 0.00 C ATOM 930 C CYS A 63 -0.714 19.164 -12.353 1.00 0.00 C ATOM 931 O CYS A 63 -0.828 17.996 -12.042 1.00 0.00 O ATOM 932 CB CYS A 63 -1.688 19.546 -14.620 1.00 0.00 C ATOM 933 SG CYS A 63 -2.468 21.179 -14.583 1.00 0.00 S ATOM 0 H CYS A 63 0.300 17.653 -14.398 1.00 0.00 H new ATOM 0 HA CYS A 63 0.013 20.584 -13.797 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.465 19.261 -15.648 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.372 18.796 -14.223 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.560 21.154 -15.288 1.00 0.00 H new ATOM 939 N GLY A 64 -0.857 20.117 -11.473 1.00 0.00 N ATOM 940 CA GLY A 64 -1.166 19.781 -10.055 1.00 0.00 C ATOM 941 C GLY A 64 -2.648 19.424 -9.929 1.00 0.00 C ATOM 942 O GLY A 64 -3.109 18.995 -8.891 1.00 0.00 O ATOM 0 H GLY A 64 -0.773 21.113 -11.675 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.550 18.945 -9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.928 20.626 -9.409 1.00 0.00 H new ATOM 946 N SER A 65 -3.400 19.600 -10.983 1.00 0.00 N ATOM 947 CA SER A 65 -4.851 19.271 -10.926 1.00 0.00 C ATOM 948 C SER A 65 -5.072 17.853 -11.459 1.00 0.00 C ATOM 949 O SER A 65 -6.184 17.367 -11.515 1.00 0.00 O ATOM 950 CB SER A 65 -5.636 20.265 -11.783 1.00 0.00 C ATOM 951 OG SER A 65 -5.267 20.102 -13.147 1.00 0.00 O ATOM 0 H SER A 65 -3.071 19.957 -11.880 1.00 0.00 H new ATOM 0 HA SER A 65 -5.196 19.331 -9.894 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.707 20.101 -11.662 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.431 21.285 -11.458 1.00 0.00 H new ATOM 0 HG SER A 65 -4.385 20.503 -13.298 1.00 0.00 H new ATOM 957 N ALA A 66 -4.020 17.187 -11.849 1.00 0.00 N ATOM 958 CA ALA A 66 -4.171 15.802 -12.377 1.00 0.00 C ATOM 959 C ALA A 66 -3.829 14.797 -11.275 1.00 0.00 C ATOM 960 O ALA A 66 -3.836 13.601 -11.488 1.00 0.00 O ATOM 961 CB ALA A 66 -3.224 15.602 -13.561 1.00 0.00 C ATOM 0 H ALA A 66 -3.064 17.541 -11.825 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.199 15.647 -12.704 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.334 14.589 -13.948 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.467 16.318 -14.346 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.196 15.756 -13.234 1.00 0.00 H new ATOM 967 N ILE A 67 -3.532 15.273 -10.096 1.00 0.00 N ATOM 968 CA ILE A 67 -3.193 14.343 -8.981 1.00 0.00 C ATOM 969 C ILE A 67 -4.483 13.835 -8.336 1.00 0.00 C ATOM 970 O ILE A 67 -4.479 12.884 -7.579 1.00 0.00 O ATOM 971 CB ILE A 67 -2.356 15.081 -7.934 1.00 0.00 C ATOM 972 CG1 ILE A 67 -1.141 15.719 -8.613 1.00 0.00 C ATOM 973 CG2 ILE A 67 -1.883 14.093 -6.866 1.00 0.00 C ATOM 974 CD1 ILE A 67 -0.368 14.648 -9.385 1.00 0.00 C ATOM 0 H ILE A 67 -3.509 16.264 -9.857 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.622 13.500 -9.371 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.962 15.857 -7.466 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.463 16.510 -9.291 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.495 16.182 -7.867 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.287 14.620 -6.121 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.748 13.638 -6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.277 13.316 -7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.497 15.101 -9.869 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.033 13.873 -8.696 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.016 14.206 -10.141 1.00 0.00 H new ATOM 986 N ALA A 68 -5.590 14.461 -8.630 1.00 0.00 N ATOM 987 CA ALA A 68 -6.881 14.016 -8.036 1.00 0.00 C ATOM 988 C ALA A 68 -7.235 12.627 -8.570 1.00 0.00 C ATOM 989 O ALA A 68 -7.293 11.663 -7.833 1.00 0.00 O ATOM 990 CB ALA A 68 -7.983 15.006 -8.415 1.00 0.00 C ATOM 0 H ALA A 68 -5.655 15.263 -9.257 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.788 13.974 -6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.929 14.681 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.730 15.996 -8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.077 15.048 -9.500 1.00 0.00 H new ATOM 996 N SER A 69 -7.472 12.516 -9.849 1.00 0.00 N ATOM 997 CA SER A 69 -7.821 11.189 -10.428 1.00 0.00 C ATOM 998 C SER A 69 -6.646 10.227 -10.242 1.00 0.00 C ATOM 999 O SER A 69 -6.824 9.032 -10.113 1.00 0.00 O ATOM 1000 CB SER A 69 -8.120 11.347 -11.920 1.00 0.00 C ATOM 1001 OG SER A 69 -7.621 12.601 -12.367 1.00 0.00 O ATOM 0 H SER A 69 -7.439 13.286 -10.517 1.00 0.00 H new ATOM 0 HA SER A 69 -8.700 10.791 -9.921 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.658 10.536 -12.483 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.194 11.286 -12.096 1.00 0.00 H new ATOM 0 HG SER A 69 -7.809 12.706 -13.323 1.00 0.00 H new ATOM 1007 N SER A 70 -5.446 10.738 -10.227 1.00 0.00 N ATOM 1008 CA SER A 70 -4.262 9.852 -10.049 1.00 0.00 C ATOM 1009 C SER A 70 -4.349 9.154 -8.690 1.00 0.00 C ATOM 1010 O SER A 70 -4.139 7.962 -8.578 1.00 0.00 O ATOM 1011 CB SER A 70 -2.983 10.688 -10.111 1.00 0.00 C ATOM 1012 OG SER A 70 -1.900 9.861 -10.512 1.00 0.00 O ATOM 0 H SER A 70 -5.234 11.730 -10.330 1.00 0.00 H new ATOM 0 HA SER A 70 -4.245 9.105 -10.843 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.107 11.511 -10.815 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.776 11.130 -9.136 1.00 0.00 H new ATOM 0 HG SER A 70 -1.422 9.540 -9.719 1.00 0.00 H new ATOM 1018 N SER A 71 -4.656 9.887 -7.655 1.00 0.00 N ATOM 1019 CA SER A 71 -4.754 9.266 -6.305 1.00 0.00 C ATOM 1020 C SER A 71 -5.909 8.261 -6.287 1.00 0.00 C ATOM 1021 O SER A 71 -5.834 7.227 -5.655 1.00 0.00 O ATOM 1022 CB SER A 71 -5.010 10.354 -5.262 1.00 0.00 C ATOM 1023 OG SER A 71 -4.135 11.447 -5.498 1.00 0.00 O ATOM 0 H SER A 71 -4.843 10.889 -7.686 1.00 0.00 H new ATOM 0 HA SER A 71 -3.821 8.751 -6.073 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.047 10.686 -5.313 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.852 9.957 -4.259 1.00 0.00 H new ATOM 0 HG SER A 71 -4.576 12.099 -6.082 1.00 0.00 H new ATOM 1029 N LEU A 72 -6.978 8.558 -6.975 1.00 0.00 N ATOM 1030 CA LEU A 72 -8.137 7.621 -6.994 1.00 0.00 C ATOM 1031 C LEU A 72 -7.791 6.384 -7.826 1.00 0.00 C ATOM 1032 O LEU A 72 -7.553 5.316 -7.299 1.00 0.00 O ATOM 1033 CB LEU A 72 -9.350 8.323 -7.608 1.00 0.00 C ATOM 1034 CG LEU A 72 -10.624 7.832 -6.919 1.00 0.00 C ATOM 1035 CD1 LEU A 72 -10.836 8.614 -5.622 1.00 0.00 C ATOM 1036 CD2 LEU A 72 -11.820 8.050 -7.847 1.00 0.00 C ATOM 0 H LEU A 72 -7.099 9.409 -7.525 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.368 7.315 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.255 9.403 -7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.400 8.118 -8.677 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.529 6.770 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.744 8.264 -5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.983 8.460 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.932 9.676 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.729 7.700 -7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.915 9.112 -8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.669 7.493 -8.772 1.00 0.00 H new ATOM 1048 N ILE A 73 -7.768 6.519 -9.124 1.00 0.00 N ATOM 1049 CA ILE A 73 -7.445 5.352 -9.993 1.00 0.00 C ATOM 1050 C ILE A 73 -6.418 4.454 -9.298 1.00 0.00 C ATOM 1051 O ILE A 73 -6.562 3.248 -9.261 1.00 0.00 O ATOM 1052 CB ILE A 73 -6.868 5.849 -11.320 1.00 0.00 C ATOM 1053 CG1 ILE A 73 -6.456 4.650 -12.177 1.00 0.00 C ATOM 1054 CG2 ILE A 73 -5.643 6.726 -11.049 1.00 0.00 C ATOM 1055 CD1 ILE A 73 -6.708 4.967 -13.652 1.00 0.00 C ATOM 0 H ILE A 73 -7.959 7.389 -9.621 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.355 4.781 -10.179 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.622 6.432 -11.848 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.402 4.421 -12.018 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.022 3.767 -11.882 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.232 7.080 -11.995 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.935 7.580 -10.438 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.888 6.143 -10.521 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.415 4.113 -14.263 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.767 5.175 -13.804 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.122 5.839 -13.942 1.00 0.00 H new ATOM 1067 N THR A 74 -5.382 5.028 -8.753 1.00 0.00 N ATOM 1068 CA THR A 74 -4.348 4.201 -8.068 1.00 0.00 C ATOM 1069 C THR A 74 -4.986 3.429 -6.910 1.00 0.00 C ATOM 1070 O THR A 74 -4.771 2.244 -6.752 1.00 0.00 O ATOM 1071 CB THR A 74 -3.245 5.112 -7.524 1.00 0.00 C ATOM 1072 OG1 THR A 74 -3.830 6.146 -6.743 1.00 0.00 O ATOM 1073 CG2 THR A 74 -2.468 5.728 -8.689 1.00 0.00 C ATOM 0 H THR A 74 -5.206 6.033 -8.752 1.00 0.00 H new ATOM 0 HA THR A 74 -3.922 3.495 -8.781 1.00 0.00 H new ATOM 0 HB THR A 74 -2.564 4.529 -6.905 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.678 7.011 -7.178 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.683 6.377 -8.300 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.020 4.935 -9.288 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.147 6.312 -9.310 1.00 0.00 H new ATOM 1081 N GLU A 75 -5.764 4.090 -6.099 1.00 0.00 N ATOM 1082 CA GLU A 75 -6.407 3.389 -4.951 1.00 0.00 C ATOM 1083 C GLU A 75 -7.523 2.476 -5.465 1.00 0.00 C ATOM 1084 O GLU A 75 -8.114 1.723 -4.717 1.00 0.00 O ATOM 1085 CB GLU A 75 -6.994 4.423 -3.986 1.00 0.00 C ATOM 1086 CG GLU A 75 -5.910 4.876 -3.006 1.00 0.00 C ATOM 1087 CD GLU A 75 -6.377 6.133 -2.272 1.00 0.00 C ATOM 1088 OE1 GLU A 75 -7.578 6.319 -2.161 1.00 0.00 O ATOM 1089 OE2 GLU A 75 -5.526 6.889 -1.833 1.00 0.00 O ATOM 0 H GLU A 75 -5.983 5.083 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.661 2.788 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.378 5.279 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.835 3.993 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.698 4.082 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.983 5.079 -3.542 1.00 0.00 H new ATOM 1096 N TRP A 76 -7.815 2.534 -6.736 1.00 0.00 N ATOM 1097 CA TRP A 76 -8.892 1.666 -7.292 1.00 0.00 C ATOM 1098 C TRP A 76 -8.265 0.445 -7.970 1.00 0.00 C ATOM 1099 O TRP A 76 -8.881 -0.596 -8.085 1.00 0.00 O ATOM 1100 CB TRP A 76 -9.709 2.458 -8.315 1.00 0.00 C ATOM 1101 CG TRP A 76 -10.950 2.979 -7.663 1.00 0.00 C ATOM 1102 CD1 TRP A 76 -10.986 3.659 -6.495 1.00 0.00 C ATOM 1103 CD2 TRP A 76 -12.330 2.874 -8.120 1.00 0.00 C ATOM 1104 NE1 TRP A 76 -12.300 3.978 -6.205 1.00 0.00 N ATOM 1105 CE2 TRP A 76 -13.166 3.516 -7.177 1.00 0.00 C ATOM 1106 CE3 TRP A 76 -12.930 2.290 -9.250 1.00 0.00 C ATOM 1107 CZ2 TRP A 76 -14.549 3.576 -7.347 1.00 0.00 C ATOM 1108 CZ3 TRP A 76 -14.324 2.350 -9.425 1.00 0.00 C ATOM 1109 CH2 TRP A 76 -15.131 2.992 -8.475 1.00 0.00 C ATOM 0 H TRP A 76 -7.355 3.144 -7.412 1.00 0.00 H new ATOM 0 HA TRP A 76 -9.546 1.336 -6.485 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.117 3.284 -8.708 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -9.969 1.821 -9.161 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.129 3.912 -5.888 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -12.594 4.492 -5.374 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -12.317 1.793 -9.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -15.166 4.071 -6.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -14.776 1.899 -10.296 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -16.201 3.035 -8.615 1.00 0.00 H new ATOM 1120 N VAL A 77 -7.046 0.563 -8.419 1.00 0.00 N ATOM 1121 CA VAL A 77 -6.383 -0.593 -9.088 1.00 0.00 C ATOM 1122 C VAL A 77 -5.228 -1.091 -8.219 1.00 0.00 C ATOM 1123 O VAL A 77 -4.089 -1.118 -8.639 1.00 0.00 O ATOM 1124 CB VAL A 77 -5.846 -0.155 -10.453 1.00 0.00 C ATOM 1125 CG1 VAL A 77 -7.018 0.117 -11.397 1.00 0.00 C ATOM 1126 CG2 VAL A 77 -5.015 1.122 -10.289 1.00 0.00 C ATOM 0 H VAL A 77 -6.480 1.409 -8.352 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.106 -1.397 -9.225 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.220 -0.945 -10.868 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.637 0.429 -12.369 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.610 -0.791 -11.513 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.644 0.907 -10.982 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.632 1.434 -11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.641 1.912 -9.874 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.180 0.929 -9.615 1.00 0.00 H new ATOM 1136 N LYS A 78 -5.513 -1.484 -7.008 1.00 0.00 N ATOM 1137 CA LYS A 78 -4.432 -1.978 -6.111 1.00 0.00 C ATOM 1138 C LYS A 78 -4.925 -3.211 -5.351 1.00 0.00 C ATOM 1139 O LYS A 78 -5.710 -3.111 -4.430 1.00 0.00 O ATOM 1140 CB LYS A 78 -4.057 -0.879 -5.116 1.00 0.00 C ATOM 1141 CG LYS A 78 -2.814 -1.303 -4.327 1.00 0.00 C ATOM 1142 CD LYS A 78 -1.709 -0.261 -4.512 1.00 0.00 C ATOM 1143 CE LYS A 78 -0.675 -0.410 -3.394 1.00 0.00 C ATOM 1144 NZ LYS A 78 0.167 0.818 -3.329 1.00 0.00 N ATOM 0 H LYS A 78 -6.448 -1.484 -6.601 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.557 -2.244 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.864 0.054 -5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.887 -0.693 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.059 -1.404 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.469 -2.279 -4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.231 -0.390 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.134 0.742 -4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.176 -0.571 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.049 -1.284 -3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.870 0.717 -2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.656 0.952 -4.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.436 1.643 -3.135 1.00 0.00 H new ATOM 1158 N GLY A 79 -4.471 -4.375 -5.730 1.00 0.00 N ATOM 1159 CA GLY A 79 -4.917 -5.612 -5.030 1.00 0.00 C ATOM 1160 C GLY A 79 -6.221 -6.108 -5.655 1.00 0.00 C ATOM 1161 O GLY A 79 -6.763 -7.122 -5.262 1.00 0.00 O ATOM 0 H GLY A 79 -3.811 -4.522 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.149 -6.382 -5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.063 -5.410 -3.969 1.00 0.00 H new ATOM 1165 N LYS A 80 -6.730 -5.400 -6.627 1.00 0.00 N ATOM 1166 CA LYS A 80 -7.999 -5.830 -7.277 1.00 0.00 C ATOM 1167 C LYS A 80 -7.692 -6.871 -8.357 1.00 0.00 C ATOM 1168 O LYS A 80 -6.595 -7.386 -8.441 1.00 0.00 O ATOM 1169 CB LYS A 80 -8.680 -4.616 -7.912 1.00 0.00 C ATOM 1170 CG LYS A 80 -8.985 -3.578 -6.829 1.00 0.00 C ATOM 1171 CD LYS A 80 -10.493 -3.523 -6.584 1.00 0.00 C ATOM 1172 CE LYS A 80 -10.772 -2.827 -5.251 1.00 0.00 C ATOM 1173 NZ LYS A 80 -12.231 -2.885 -4.958 1.00 0.00 N ATOM 0 H LYS A 80 -6.321 -4.543 -6.998 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.662 -6.269 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.035 -4.182 -8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.601 -4.921 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.465 -3.836 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.620 -2.598 -7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.984 -2.986 -7.396 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.907 -4.531 -6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.210 -3.310 -4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.439 -1.790 -5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.422 -2.412 -4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.757 -2.405 -5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.534 -3.878 -4.901 1.00 0.00 H new ATOM 1187 N SER A 81 -8.653 -7.188 -9.181 1.00 0.00 N ATOM 1188 CA SER A 81 -8.413 -8.199 -10.250 1.00 0.00 C ATOM 1189 C SER A 81 -8.326 -7.503 -11.609 1.00 0.00 C ATOM 1190 O SER A 81 -8.993 -6.517 -11.858 1.00 0.00 O ATOM 1191 CB SER A 81 -9.564 -9.206 -10.266 1.00 0.00 C ATOM 1192 OG SER A 81 -9.143 -10.390 -10.931 1.00 0.00 O ATOM 0 H SER A 81 -9.593 -6.792 -9.161 1.00 0.00 H new ATOM 0 HA SER A 81 -7.476 -8.719 -10.051 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.874 -9.438 -9.247 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.429 -8.779 -10.773 1.00 0.00 H new ATOM 0 HG SER A 81 -9.878 -11.038 -10.941 1.00 0.00 H new ATOM 1198 N LEU A 82 -7.511 -8.011 -12.492 1.00 0.00 N ATOM 1199 CA LEU A 82 -7.379 -7.384 -13.837 1.00 0.00 C ATOM 1200 C LEU A 82 -8.737 -7.404 -14.540 1.00 0.00 C ATOM 1201 O LEU A 82 -9.030 -6.569 -15.372 1.00 0.00 O ATOM 1202 CB LEU A 82 -6.365 -8.173 -14.666 1.00 0.00 C ATOM 1203 CG LEU A 82 -5.098 -7.336 -14.856 1.00 0.00 C ATOM 1204 CD1 LEU A 82 -4.046 -8.164 -15.595 1.00 0.00 C ATOM 1205 CD2 LEU A 82 -5.432 -6.089 -15.676 1.00 0.00 C ATOM 0 H LEU A 82 -6.930 -8.835 -12.340 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.039 -6.354 -13.730 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.122 -9.111 -14.166 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.793 -8.429 -15.635 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.708 -7.039 -13.882 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.143 -7.568 -15.731 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.809 -9.054 -15.013 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.435 -8.460 -16.569 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.531 -5.491 -15.813 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.821 -6.387 -16.650 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.183 -5.499 -15.151 1.00 0.00 H new ATOM 1217 N GLU A 83 -9.567 -8.355 -14.211 1.00 0.00 N ATOM 1218 CA GLU A 83 -10.905 -8.437 -14.858 1.00 0.00 C ATOM 1219 C GLU A 83 -11.700 -7.164 -14.556 1.00 0.00 C ATOM 1220 O GLU A 83 -12.417 -6.656 -15.396 1.00 0.00 O ATOM 1221 CB GLU A 83 -11.658 -9.651 -14.310 1.00 0.00 C ATOM 1222 CG GLU A 83 -12.904 -9.907 -15.158 1.00 0.00 C ATOM 1223 CD GLU A 83 -13.395 -11.338 -14.924 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -12.562 -12.226 -14.864 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -14.596 -11.520 -14.811 1.00 0.00 O ATOM 0 H GLU A 83 -9.375 -9.080 -13.520 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.782 -8.538 -15.936 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.011 -10.528 -14.322 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.942 -9.478 -13.272 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.687 -9.195 -14.897 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.676 -9.757 -16.213 1.00 0.00 H new ATOM 1232 N GLU A 84 -11.580 -6.646 -13.365 1.00 0.00 N ATOM 1233 CA GLU A 84 -12.333 -5.408 -13.014 1.00 0.00 C ATOM 1234 C GLU A 84 -11.607 -4.186 -13.581 1.00 0.00 C ATOM 1235 O GLU A 84 -12.214 -3.181 -13.892 1.00 0.00 O ATOM 1236 CB GLU A 84 -12.432 -5.283 -11.492 1.00 0.00 C ATOM 1237 CG GLU A 84 -13.698 -5.990 -11.005 1.00 0.00 C ATOM 1238 CD GLU A 84 -13.956 -5.624 -9.542 1.00 0.00 C ATOM 1239 OE1 GLU A 84 -14.068 -4.443 -9.259 1.00 0.00 O ATOM 1240 OE2 GLU A 84 -14.038 -6.531 -8.731 1.00 0.00 O ATOM 0 H GLU A 84 -10.995 -7.025 -12.621 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.335 -5.463 -13.440 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.553 -5.723 -11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.455 -4.232 -11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.550 -5.698 -11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.587 -7.070 -11.107 1.00 0.00 H new ATOM 1247 N ALA A 85 -10.311 -4.262 -13.719 1.00 0.00 N ATOM 1248 CA ALA A 85 -9.553 -3.102 -14.267 1.00 0.00 C ATOM 1249 C ALA A 85 -9.853 -2.960 -15.761 1.00 0.00 C ATOM 1250 O ALA A 85 -9.876 -1.871 -16.299 1.00 0.00 O ATOM 1251 CB ALA A 85 -8.053 -3.331 -14.064 1.00 0.00 C ATOM 0 H ALA A 85 -9.746 -5.076 -13.476 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.853 -2.191 -13.748 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.498 -2.483 -14.465 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.841 -3.433 -13.000 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.750 -4.240 -14.583 1.00 0.00 H new ATOM 1257 N GLY A 86 -10.082 -4.054 -16.434 1.00 0.00 N ATOM 1258 CA GLY A 86 -10.380 -3.984 -17.893 1.00 0.00 C ATOM 1259 C GLY A 86 -11.888 -3.834 -18.100 1.00 0.00 C ATOM 1260 O GLY A 86 -12.433 -4.276 -19.092 1.00 0.00 O ATOM 0 H GLY A 86 -10.076 -4.994 -16.037 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.855 -3.141 -18.342 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.022 -4.885 -18.392 1.00 0.00 H new ATOM 1264 N ALA A 87 -12.567 -3.211 -17.176 1.00 0.00 N ATOM 1265 CA ALA A 87 -14.040 -3.034 -17.324 1.00 0.00 C ATOM 1266 C ALA A 87 -14.506 -1.889 -16.423 1.00 0.00 C ATOM 1267 O ALA A 87 -15.673 -1.771 -16.106 1.00 0.00 O ATOM 1268 CB ALA A 87 -14.753 -4.324 -16.918 1.00 0.00 C ATOM 0 H ALA A 87 -12.166 -2.817 -16.325 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.276 -2.801 -18.362 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -15.830 -4.194 -17.026 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.420 -5.141 -17.558 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.518 -4.558 -15.880 1.00 0.00 H new ATOM 1274 N ILE A 88 -13.601 -1.045 -16.010 1.00 0.00 N ATOM 1275 CA ILE A 88 -13.989 0.092 -15.130 1.00 0.00 C ATOM 1276 C ILE A 88 -14.314 1.311 -15.995 1.00 0.00 C ATOM 1277 O ILE A 88 -15.055 2.188 -15.598 1.00 0.00 O ATOM 1278 CB ILE A 88 -12.828 0.425 -14.191 1.00 0.00 C ATOM 1279 CG1 ILE A 88 -11.508 0.048 -14.865 1.00 0.00 C ATOM 1280 CG2 ILE A 88 -12.979 -0.367 -12.892 1.00 0.00 C ATOM 1281 CD1 ILE A 88 -10.340 0.581 -14.033 1.00 0.00 C ATOM 0 H ILE A 88 -12.609 -1.094 -16.244 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.865 -0.181 -14.541 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.834 1.492 -13.968 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.434 -1.035 -14.963 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.470 0.463 -15.872 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.152 -0.130 -12.223 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.921 -0.103 -12.412 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.972 -1.434 -13.114 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.399 0.312 -14.513 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.412 1.666 -13.958 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.375 0.145 -13.035 1.00 0.00 H new ATOM 1293 N LYS A 89 -13.767 1.369 -17.178 1.00 0.00 N ATOM 1294 CA LYS A 89 -14.045 2.527 -18.072 1.00 0.00 C ATOM 1295 C LYS A 89 -13.665 3.826 -17.361 1.00 0.00 C ATOM 1296 O LYS A 89 -13.685 3.911 -16.149 1.00 0.00 O ATOM 1297 CB LYS A 89 -15.534 2.556 -18.422 1.00 0.00 C ATOM 1298 CG LYS A 89 -15.872 1.365 -19.319 1.00 0.00 C ATOM 1299 CD LYS A 89 -16.935 1.778 -20.340 1.00 0.00 C ATOM 1300 CE LYS A 89 -17.437 0.540 -21.083 1.00 0.00 C ATOM 1301 NZ LYS A 89 -18.821 0.218 -20.636 1.00 0.00 N ATOM 0 H LYS A 89 -13.139 0.664 -17.564 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.458 2.428 -18.985 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.133 2.520 -17.512 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.781 3.488 -18.930 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.976 1.017 -19.832 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.236 0.534 -18.715 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.765 2.274 -19.836 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -16.517 2.495 -21.047 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.423 0.718 -22.158 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.776 -0.305 -20.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.162 -0.624 -21.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.821 0.031 -19.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.448 1.022 -20.841 1.00 0.00 H new ATOM 1315 N ASN A 90 -13.322 4.841 -18.105 1.00 0.00 N ATOM 1316 CA ASN A 90 -12.946 6.134 -17.471 1.00 0.00 C ATOM 1317 C ASN A 90 -14.214 6.889 -17.071 1.00 0.00 C ATOM 1318 O ASN A 90 -14.195 7.743 -16.207 1.00 0.00 O ATOM 1319 CB ASN A 90 -12.140 6.975 -18.464 1.00 0.00 C ATOM 1320 CG ASN A 90 -12.896 7.059 -19.791 1.00 0.00 C ATOM 1321 OD1 ASN A 90 -13.242 6.049 -20.372 1.00 0.00 O ATOM 1322 ND2 ASN A 90 -13.166 8.229 -20.301 1.00 0.00 N ATOM 0 H ASN A 90 -13.286 4.830 -19.124 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.341 5.944 -16.585 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.977 7.975 -18.062 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -11.157 6.530 -18.620 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.667 8.296 -21.187 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -12.876 9.077 -19.814 1.00 0.00 H new ATOM 1329 N SER A 91 -15.320 6.578 -17.691 1.00 0.00 N ATOM 1330 CA SER A 91 -16.590 7.275 -17.343 1.00 0.00 C ATOM 1331 C SER A 91 -16.918 7.024 -15.871 1.00 0.00 C ATOM 1332 O SER A 91 -17.367 7.906 -15.165 1.00 0.00 O ATOM 1333 CB SER A 91 -17.725 6.736 -18.214 1.00 0.00 C ATOM 1334 OG SER A 91 -17.294 6.681 -19.568 1.00 0.00 O ATOM 0 H SER A 91 -15.398 5.872 -18.423 1.00 0.00 H new ATOM 0 HA SER A 91 -16.476 8.345 -17.516 1.00 0.00 H new ATOM 0 HB2 SER A 91 -18.020 5.743 -17.874 1.00 0.00 H new ATOM 0 HB3 SER A 91 -18.602 7.377 -18.125 1.00 0.00 H new ATOM 0 HG SER A 91 -18.019 6.334 -20.128 1.00 0.00 H new ATOM 1340 N GLN A 92 -16.698 5.827 -15.401 1.00 0.00 N ATOM 1341 CA GLN A 92 -16.997 5.519 -13.976 1.00 0.00 C ATOM 1342 C GLN A 92 -16.118 6.385 -13.072 1.00 0.00 C ATOM 1343 O GLN A 92 -16.590 6.996 -12.134 1.00 0.00 O ATOM 1344 CB GLN A 92 -16.713 4.038 -13.705 1.00 0.00 C ATOM 1345 CG GLN A 92 -17.682 3.510 -12.642 1.00 0.00 C ATOM 1346 CD GLN A 92 -17.680 1.981 -12.669 1.00 0.00 C ATOM 1347 OE1 GLN A 92 -16.645 1.365 -12.829 1.00 0.00 O ATOM 1348 NE2 GLN A 92 -18.806 1.338 -12.520 1.00 0.00 N ATOM 0 H GLN A 92 -16.324 5.049 -15.944 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.046 5.730 -13.769 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -16.820 3.463 -14.625 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -15.684 3.911 -13.368 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -17.387 3.868 -11.655 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.687 3.887 -12.831 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -19.675 1.855 -12.386 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -18.817 0.318 -12.538 1.00 0.00 H new ATOM 1357 N ILE A 93 -14.843 6.448 -13.348 1.00 0.00 N ATOM 1358 CA ILE A 93 -13.943 7.282 -12.503 1.00 0.00 C ATOM 1359 C ILE A 93 -14.365 8.748 -12.614 1.00 0.00 C ATOM 1360 O ILE A 93 -14.307 9.495 -11.658 1.00 0.00 O ATOM 1361 CB ILE A 93 -12.499 7.130 -12.985 1.00 0.00 C ATOM 1362 CG1 ILE A 93 -12.003 5.716 -12.675 1.00 0.00 C ATOM 1363 CG2 ILE A 93 -11.612 8.148 -12.265 1.00 0.00 C ATOM 1364 CD1 ILE A 93 -10.723 5.438 -13.465 1.00 0.00 C ATOM 0 H ILE A 93 -14.388 5.960 -14.119 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.012 6.957 -11.465 1.00 0.00 H new ATOM 0 HB ILE A 93 -12.455 7.303 -14.060 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -11.813 5.612 -11.607 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -12.769 4.986 -12.935 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -10.583 8.041 -12.608 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -11.964 9.156 -12.484 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -11.657 7.973 -11.190 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -10.370 4.431 -13.244 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -10.928 5.524 -14.532 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.957 6.161 -13.183 1.00 0.00 H new ATOM 1376 N ALA A 94 -14.791 9.163 -13.776 1.00 0.00 N ATOM 1377 CA ALA A 94 -15.219 10.579 -13.949 1.00 0.00 C ATOM 1378 C ALA A 94 -16.490 10.825 -13.135 1.00 0.00 C ATOM 1379 O ALA A 94 -16.624 11.825 -12.458 1.00 0.00 O ATOM 1380 CB ALA A 94 -15.502 10.850 -15.428 1.00 0.00 C ATOM 0 H ALA A 94 -14.861 8.583 -14.612 1.00 0.00 H new ATOM 0 HA ALA A 94 -14.428 11.244 -13.604 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.815 11.886 -15.555 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -14.598 10.670 -16.010 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.294 10.187 -15.774 1.00 0.00 H new ATOM 1386 N GLU A 95 -17.426 9.917 -13.195 1.00 0.00 N ATOM 1387 CA GLU A 95 -18.688 10.095 -12.425 1.00 0.00 C ATOM 1388 C GLU A 95 -18.387 10.009 -10.928 1.00 0.00 C ATOM 1389 O GLU A 95 -19.032 10.644 -10.118 1.00 0.00 O ATOM 1390 CB GLU A 95 -19.679 8.995 -12.810 1.00 0.00 C ATOM 1391 CG GLU A 95 -20.585 9.493 -13.938 1.00 0.00 C ATOM 1392 CD GLU A 95 -21.010 8.311 -14.810 1.00 0.00 C ATOM 1393 OE1 GLU A 95 -20.192 7.431 -15.021 1.00 0.00 O ATOM 1394 OE2 GLU A 95 -22.148 8.305 -15.252 1.00 0.00 O ATOM 0 H GLU A 95 -17.370 9.060 -13.745 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.120 11.069 -12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -19.141 8.102 -13.129 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -20.279 8.713 -11.945 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -21.464 9.986 -13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -20.059 10.233 -14.541 1.00 0.00 H new ATOM 1401 N GLU A 96 -17.411 9.228 -10.554 1.00 0.00 N ATOM 1402 CA GLU A 96 -17.070 9.101 -9.109 1.00 0.00 C ATOM 1403 C GLU A 96 -16.495 10.425 -8.603 1.00 0.00 C ATOM 1404 O GLU A 96 -16.805 10.871 -7.516 1.00 0.00 O ATOM 1405 CB GLU A 96 -16.032 7.991 -8.926 1.00 0.00 C ATOM 1406 CG GLU A 96 -16.364 7.186 -7.668 1.00 0.00 C ATOM 1407 CD GLU A 96 -17.369 6.085 -8.016 1.00 0.00 C ATOM 1408 OE1 GLU A 96 -16.986 5.160 -8.714 1.00 0.00 O ATOM 1409 OE2 GLU A 96 -18.502 6.187 -7.577 1.00 0.00 O ATOM 0 H GLU A 96 -16.835 8.672 -11.186 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.969 8.855 -8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.025 7.337 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.034 8.421 -8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.456 6.747 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -16.778 7.842 -6.902 1.00 0.00 H new ATOM 1416 N LEU A 97 -15.657 11.057 -9.380 1.00 0.00 N ATOM 1417 CA LEU A 97 -15.064 12.350 -8.938 1.00 0.00 C ATOM 1418 C LEU A 97 -15.862 13.512 -9.533 1.00 0.00 C ATOM 1419 O LEU A 97 -16.035 14.541 -8.912 1.00 0.00 O ATOM 1420 CB LEU A 97 -13.612 12.435 -9.410 1.00 0.00 C ATOM 1421 CG LEU A 97 -12.795 13.244 -8.402 1.00 0.00 C ATOM 1422 CD1 LEU A 97 -12.201 12.302 -7.352 1.00 0.00 C ATOM 1423 CD2 LEU A 97 -11.664 13.973 -9.130 1.00 0.00 C ATOM 0 H LEU A 97 -15.358 10.734 -10.300 1.00 0.00 H new ATOM 0 HA LEU A 97 -15.097 12.408 -7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.193 11.434 -9.514 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.565 12.904 -10.393 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.442 13.972 -7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.619 12.879 -6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.006 11.782 -6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.555 11.573 -7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -11.081 14.550 -8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.018 13.245 -9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.086 14.645 -9.878 1.00 0.00 H new ATOM 1435 N GLU A 98 -16.351 13.356 -10.733 1.00 0.00 N ATOM 1436 CA GLU A 98 -17.137 14.454 -11.364 1.00 0.00 C ATOM 1437 C GLU A 98 -16.182 15.528 -11.889 1.00 0.00 C ATOM 1438 O GLU A 98 -16.496 16.701 -11.896 1.00 0.00 O ATOM 1439 CB GLU A 98 -18.075 15.069 -10.324 1.00 0.00 C ATOM 1440 CG GLU A 98 -19.335 15.594 -11.015 1.00 0.00 C ATOM 1441 CD GLU A 98 -20.150 16.429 -10.026 1.00 0.00 C ATOM 1442 OE1 GLU A 98 -19.670 17.481 -9.634 1.00 0.00 O ATOM 1443 OE2 GLU A 98 -21.238 16.003 -9.676 1.00 0.00 O ATOM 0 H GLU A 98 -16.241 12.517 -11.303 1.00 0.00 H new ATOM 0 HA GLU A 98 -17.723 14.054 -12.192 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.343 14.324 -9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -17.571 15.881 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.063 16.199 -11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -19.934 14.761 -11.384 1.00 0.00 H new ATOM 1450 N LEU A 99 -15.016 15.136 -12.327 1.00 0.00 N ATOM 1451 CA LEU A 99 -14.045 16.137 -12.849 1.00 0.00 C ATOM 1452 C LEU A 99 -14.753 17.069 -13.835 1.00 0.00 C ATOM 1453 O LEU A 99 -15.659 16.666 -14.538 1.00 0.00 O ATOM 1454 CB LEU A 99 -12.902 15.412 -13.563 1.00 0.00 C ATOM 1455 CG LEU A 99 -13.457 14.629 -14.754 1.00 0.00 C ATOM 1456 CD1 LEU A 99 -13.200 15.410 -16.043 1.00 0.00 C ATOM 1457 CD2 LEU A 99 -12.762 13.269 -14.838 1.00 0.00 C ATOM 0 H LEU A 99 -14.695 14.168 -12.346 1.00 0.00 H new ATOM 0 HA LEU A 99 -13.644 16.722 -12.021 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -12.157 16.132 -13.903 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -12.399 14.735 -12.872 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.529 14.484 -14.624 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.596 14.852 -16.892 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.693 16.380 -15.985 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.128 15.555 -16.173 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.157 12.710 -15.687 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -11.690 13.416 -14.968 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -12.943 12.710 -13.920 1.00 0.00 H new ATOM 1469 N PRO A 100 -14.340 18.307 -13.885 1.00 0.00 N ATOM 1470 CA PRO A 100 -14.942 19.319 -14.801 1.00 0.00 C ATOM 1471 C PRO A 100 -14.651 19.008 -16.274 1.00 0.00 C ATOM 1472 O PRO A 100 -13.614 18.471 -16.608 1.00 0.00 O ATOM 1473 CB PRO A 100 -14.278 20.638 -14.390 1.00 0.00 C ATOM 1474 CG PRO A 100 -13.017 20.254 -13.688 1.00 0.00 C ATOM 1475 CD PRO A 100 -13.254 18.875 -13.074 1.00 0.00 C ATOM 0 HA PRO A 100 -16.029 19.341 -14.718 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.068 21.259 -15.261 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -14.930 21.217 -13.736 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.179 20.228 -14.385 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.767 20.983 -12.917 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -12.357 18.258 -13.120 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -13.537 18.949 -12.024 1.00 0.00 H new ATOM 1483 N PRO A 101 -15.567 19.340 -17.145 1.00 0.00 N ATOM 1484 CA PRO A 101 -15.416 19.089 -18.609 1.00 0.00 C ATOM 1485 C PRO A 101 -14.349 19.985 -19.246 1.00 0.00 C ATOM 1486 O PRO A 101 -14.279 20.122 -20.451 1.00 0.00 O ATOM 1487 CB PRO A 101 -16.797 19.412 -19.184 1.00 0.00 C ATOM 1488 CG PRO A 101 -17.435 20.335 -18.199 1.00 0.00 C ATOM 1489 CD PRO A 101 -16.847 19.993 -16.829 1.00 0.00 C ATOM 0 HA PRO A 101 -15.091 18.068 -18.809 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.714 19.881 -20.164 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -17.389 18.506 -19.314 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -17.234 21.375 -18.457 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -18.518 20.210 -18.197 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -16.700 20.887 -16.223 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -17.505 19.331 -16.266 1.00 0.00 H new ATOM 1497 N VAL A 102 -13.515 20.593 -18.447 1.00 0.00 N ATOM 1498 CA VAL A 102 -12.455 21.475 -19.011 1.00 0.00 C ATOM 1499 C VAL A 102 -11.137 20.699 -19.084 1.00 0.00 C ATOM 1500 O VAL A 102 -10.099 21.246 -19.399 1.00 0.00 O ATOM 1501 CB VAL A 102 -12.279 22.700 -18.112 1.00 0.00 C ATOM 1502 CG1 VAL A 102 -13.649 23.302 -17.795 1.00 0.00 C ATOM 1503 CG2 VAL A 102 -11.594 22.280 -16.810 1.00 0.00 C ATOM 0 H VAL A 102 -13.522 20.517 -17.430 1.00 0.00 H new ATOM 0 HA VAL A 102 -12.743 21.799 -20.011 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.666 23.442 -18.624 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.523 24.175 -17.154 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -14.139 23.600 -18.722 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.262 22.561 -17.282 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -11.468 23.152 -16.168 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -12.208 21.539 -16.299 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -10.618 21.850 -17.035 1.00 0.00 H new ATOM 1513 N LYS A 103 -11.172 19.426 -18.795 1.00 0.00 N ATOM 1514 CA LYS A 103 -9.925 18.612 -18.844 1.00 0.00 C ATOM 1515 C LYS A 103 -10.291 17.130 -18.961 1.00 0.00 C ATOM 1516 O LYS A 103 -9.534 16.261 -18.576 1.00 0.00 O ATOM 1517 CB LYS A 103 -9.119 18.840 -17.564 1.00 0.00 C ATOM 1518 CG LYS A 103 -7.668 19.166 -17.923 1.00 0.00 C ATOM 1519 CD LYS A 103 -6.942 19.702 -16.686 1.00 0.00 C ATOM 1520 CE LYS A 103 -5.720 18.829 -16.391 1.00 0.00 C ATOM 1521 NZ LYS A 103 -4.965 18.588 -17.653 1.00 0.00 N ATOM 0 H LYS A 103 -12.013 18.914 -18.527 1.00 0.00 H new ATOM 0 HA LYS A 103 -9.328 18.908 -19.706 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.554 19.657 -16.989 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.158 17.951 -16.935 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.165 18.273 -18.294 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.638 19.905 -18.724 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.633 20.734 -16.852 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.615 19.705 -15.829 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.078 19.319 -15.659 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.034 17.880 -15.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -3.944 18.604 -17.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.228 17.660 -18.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.196 19.331 -18.343 1.00 0.00 H new ATOM 1535 N VAL A 104 -11.450 16.836 -19.484 1.00 0.00 N ATOM 1536 CA VAL A 104 -11.872 15.413 -19.623 1.00 0.00 C ATOM 1537 C VAL A 104 -10.671 14.551 -20.021 1.00 0.00 C ATOM 1538 O VAL A 104 -10.624 13.370 -19.738 1.00 0.00 O ATOM 1539 CB VAL A 104 -12.951 15.307 -20.701 1.00 0.00 C ATOM 1540 CG1 VAL A 104 -13.501 13.880 -20.736 1.00 0.00 C ATOM 1541 CG2 VAL A 104 -14.086 16.283 -20.383 1.00 0.00 C ATOM 0 H VAL A 104 -12.125 17.522 -19.822 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.267 15.061 -18.670 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.520 15.553 -21.671 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.270 13.805 -21.505 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.693 13.184 -20.962 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.932 13.632 -19.766 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -14.856 16.208 -21.151 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.516 16.037 -19.412 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -13.695 17.300 -20.359 1.00 0.00 H new ATOM 1551 N HIS A 105 -9.702 15.127 -20.677 1.00 0.00 N ATOM 1552 CA HIS A 105 -8.510 14.334 -21.094 1.00 0.00 C ATOM 1553 C HIS A 105 -8.072 13.418 -19.948 1.00 0.00 C ATOM 1554 O HIS A 105 -7.512 12.362 -20.165 1.00 0.00 O ATOM 1555 CB HIS A 105 -7.365 15.283 -21.454 1.00 0.00 C ATOM 1556 CG HIS A 105 -7.740 16.083 -22.671 1.00 0.00 C ATOM 1557 ND1 HIS A 105 -8.995 15.999 -23.254 1.00 0.00 N ATOM 1558 CD2 HIS A 105 -7.035 16.989 -23.425 1.00 0.00 C ATOM 1559 CE1 HIS A 105 -9.010 16.833 -24.311 1.00 0.00 C ATOM 1560 NE2 HIS A 105 -7.840 17.459 -24.457 1.00 0.00 N ATOM 0 H HIS A 105 -9.683 16.112 -20.943 1.00 0.00 H new ATOM 0 HA HIS A 105 -8.767 13.728 -21.962 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -7.155 15.950 -20.618 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -6.454 14.715 -21.645 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -6.014 17.290 -23.244 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -9.862 16.977 -24.959 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -7.589 18.139 -25.175 1.00 0.00 H new ATOM 1568 N CYS A 106 -8.319 13.814 -18.729 1.00 0.00 N ATOM 1569 CA CYS A 106 -7.911 12.966 -17.573 1.00 0.00 C ATOM 1570 C CYS A 106 -8.720 11.666 -17.573 1.00 0.00 C ATOM 1571 O CYS A 106 -8.216 10.611 -17.244 1.00 0.00 O ATOM 1572 CB CYS A 106 -8.168 13.725 -16.269 1.00 0.00 C ATOM 1573 SG CYS A 106 -7.930 15.497 -16.544 1.00 0.00 S ATOM 0 H CYS A 106 -8.785 14.687 -18.484 1.00 0.00 H new ATOM 0 HA CYS A 106 -6.850 12.730 -17.657 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.182 13.534 -15.919 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -7.490 13.373 -15.491 1.00 0.00 H new ATOM 0 HG CYS A 106 -8.884 15.951 -17.301 1.00 0.00 H new ATOM 1579 N SER A 107 -9.972 11.733 -17.937 1.00 0.00 N ATOM 1580 CA SER A 107 -10.812 10.501 -17.952 1.00 0.00 C ATOM 1581 C SER A 107 -10.327 9.561 -19.059 1.00 0.00 C ATOM 1582 O SER A 107 -9.908 8.448 -18.803 1.00 0.00 O ATOM 1583 CB SER A 107 -12.270 10.883 -18.210 1.00 0.00 C ATOM 1584 OG SER A 107 -12.504 12.196 -17.720 1.00 0.00 O ATOM 0 H SER A 107 -10.449 12.587 -18.225 1.00 0.00 H new ATOM 0 HA SER A 107 -10.732 9.996 -16.989 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.487 10.836 -19.277 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.936 10.174 -17.718 1.00 0.00 H new ATOM 0 HG SER A 107 -13.437 12.445 -17.885 1.00 0.00 H new ATOM 1590 N ILE A 108 -10.381 9.997 -20.288 1.00 0.00 N ATOM 1591 CA ILE A 108 -9.926 9.126 -21.408 1.00 0.00 C ATOM 1592 C ILE A 108 -8.517 8.609 -21.114 1.00 0.00 C ATOM 1593 O ILE A 108 -8.162 7.504 -21.473 1.00 0.00 O ATOM 1594 CB ILE A 108 -9.911 9.933 -22.707 1.00 0.00 C ATOM 1595 CG1 ILE A 108 -11.350 10.242 -23.129 1.00 0.00 C ATOM 1596 CG2 ILE A 108 -9.220 9.123 -23.804 1.00 0.00 C ATOM 1597 CD1 ILE A 108 -11.336 11.123 -24.380 1.00 0.00 C ATOM 0 H ILE A 108 -10.720 10.918 -20.565 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.608 8.282 -21.511 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.369 10.865 -22.550 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.889 9.316 -23.329 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.877 10.748 -22.320 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.210 9.699 -24.730 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.196 8.902 -23.503 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.761 8.190 -23.963 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -12.360 11.343 -24.681 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.813 12.054 -24.163 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.825 10.599 -25.188 1.00 0.00 H new ATOM 1609 N LEU A 109 -7.708 9.400 -20.463 1.00 0.00 N ATOM 1610 CA LEU A 109 -6.322 8.951 -20.146 1.00 0.00 C ATOM 1611 C LEU A 109 -6.378 7.761 -19.189 1.00 0.00 C ATOM 1612 O LEU A 109 -5.657 6.794 -19.342 1.00 0.00 O ATOM 1613 CB LEU A 109 -5.550 10.098 -19.491 1.00 0.00 C ATOM 1614 CG LEU A 109 -4.582 10.705 -20.507 1.00 0.00 C ATOM 1615 CD1 LEU A 109 -5.369 11.266 -21.692 1.00 0.00 C ATOM 1616 CD2 LEU A 109 -3.788 11.831 -19.842 1.00 0.00 C ATOM 0 H LEU A 109 -7.946 10.337 -20.137 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.818 8.654 -21.066 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.243 10.859 -19.133 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.001 9.733 -18.623 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.896 9.935 -20.861 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.678 11.698 -22.416 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.935 10.464 -22.165 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.056 12.036 -21.341 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.097 12.265 -20.565 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.474 12.601 -19.489 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.226 11.431 -18.998 1.00 0.00 H new ATOM 1628 N ALA A 110 -7.226 7.822 -18.200 1.00 0.00 N ATOM 1629 CA ALA A 110 -7.327 6.694 -17.232 1.00 0.00 C ATOM 1630 C ALA A 110 -7.663 5.404 -17.984 1.00 0.00 C ATOM 1631 O ALA A 110 -6.965 4.414 -17.881 1.00 0.00 O ATOM 1632 CB ALA A 110 -8.429 6.992 -16.214 1.00 0.00 C ATOM 0 H ALA A 110 -7.854 8.605 -18.020 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.376 6.575 -16.713 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.503 6.167 -15.506 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.190 7.910 -15.678 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.380 7.112 -16.732 1.00 0.00 H new ATOM 1638 N GLU A 111 -8.728 5.406 -18.739 1.00 0.00 N ATOM 1639 CA GLU A 111 -9.106 4.178 -19.493 1.00 0.00 C ATOM 1640 C GLU A 111 -7.990 3.818 -20.478 1.00 0.00 C ATOM 1641 O GLU A 111 -7.455 2.727 -20.453 1.00 0.00 O ATOM 1642 CB GLU A 111 -10.402 4.433 -20.266 1.00 0.00 C ATOM 1643 CG GLU A 111 -10.659 3.271 -21.227 1.00 0.00 C ATOM 1644 CD GLU A 111 -12.137 3.248 -21.620 1.00 0.00 C ATOM 1645 OE1 GLU A 111 -12.950 3.675 -20.816 1.00 0.00 O ATOM 1646 OE2 GLU A 111 -12.431 2.805 -22.718 1.00 0.00 O ATOM 0 H GLU A 111 -9.351 6.203 -18.866 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.254 3.355 -18.794 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.237 4.537 -19.573 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.329 5.368 -20.821 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.037 3.377 -22.116 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.383 2.328 -20.755 1.00 0.00 H new ATOM 1653 N ASP A 112 -7.637 4.727 -21.345 1.00 0.00 N ATOM 1654 CA ASP A 112 -6.559 4.437 -22.331 1.00 0.00 C ATOM 1655 C ASP A 112 -5.347 3.846 -21.607 1.00 0.00 C ATOM 1656 O ASP A 112 -4.614 3.046 -22.155 1.00 0.00 O ATOM 1657 CB ASP A 112 -6.150 5.732 -23.035 1.00 0.00 C ATOM 1658 CG ASP A 112 -5.450 5.398 -24.355 1.00 0.00 C ATOM 1659 OD1 ASP A 112 -6.126 4.948 -25.264 1.00 0.00 O ATOM 1660 OD2 ASP A 112 -4.249 5.598 -24.432 1.00 0.00 O ATOM 0 H ASP A 112 -8.049 5.658 -21.413 1.00 0.00 H new ATOM 0 HA ASP A 112 -6.925 3.722 -23.068 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.029 6.349 -23.223 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.485 6.312 -22.395 1.00 0.00 H new ATOM 1665 N ALA A 113 -5.132 4.233 -20.380 1.00 0.00 N ATOM 1666 CA ALA A 113 -3.968 3.693 -19.622 1.00 0.00 C ATOM 1667 C ALA A 113 -4.154 2.191 -19.399 1.00 0.00 C ATOM 1668 O ALA A 113 -3.403 1.382 -19.905 1.00 0.00 O ATOM 1669 CB ALA A 113 -3.866 4.403 -18.270 1.00 0.00 C ATOM 0 H ALA A 113 -5.711 4.899 -19.870 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.054 3.863 -20.191 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.015 4.008 -17.715 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.731 5.473 -18.430 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.780 4.234 -17.701 1.00 0.00 H new ATOM 1675 N ILE A 114 -5.150 1.812 -18.647 1.00 0.00 N ATOM 1676 CA ILE A 114 -5.380 0.361 -18.396 1.00 0.00 C ATOM 1677 C ILE A 114 -5.373 -0.391 -19.730 1.00 0.00 C ATOM 1678 O ILE A 114 -5.000 -1.545 -19.802 1.00 0.00 O ATOM 1679 CB ILE A 114 -6.728 0.171 -17.688 1.00 0.00 C ATOM 1680 CG1 ILE A 114 -6.614 -0.973 -16.677 1.00 0.00 C ATOM 1681 CG2 ILE A 114 -7.818 -0.163 -18.711 1.00 0.00 C ATOM 1682 CD1 ILE A 114 -6.105 -0.424 -15.343 1.00 0.00 C ATOM 0 H ILE A 114 -5.813 2.442 -18.196 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.588 -0.034 -17.760 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.993 1.095 -17.173 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.585 -1.450 -16.540 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.933 -1.737 -17.052 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.770 -0.296 -18.198 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.904 0.652 -19.430 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.556 -1.083 -19.234 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -6.023 -1.238 -14.622 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -5.126 0.033 -15.487 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -6.803 0.325 -14.968 1.00 0.00 H new ATOM 1694 N LYS A 115 -5.781 0.257 -20.788 1.00 0.00 N ATOM 1695 CA LYS A 115 -5.798 -0.419 -22.115 1.00 0.00 C ATOM 1696 C LYS A 115 -4.363 -0.584 -22.621 1.00 0.00 C ATOM 1697 O LYS A 115 -3.991 -1.621 -23.133 1.00 0.00 O ATOM 1698 CB LYS A 115 -6.593 0.427 -23.112 1.00 0.00 C ATOM 1699 CG LYS A 115 -6.474 -0.186 -24.509 1.00 0.00 C ATOM 1700 CD LYS A 115 -7.399 0.559 -25.475 1.00 0.00 C ATOM 1701 CE LYS A 115 -7.191 0.026 -26.894 1.00 0.00 C ATOM 1702 NZ LYS A 115 -7.468 -1.438 -26.921 1.00 0.00 N ATOM 0 H LYS A 115 -6.103 1.225 -20.790 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.266 -1.398 -22.016 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.640 0.474 -22.812 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.217 1.450 -23.119 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.443 -0.126 -24.857 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.739 -1.243 -24.478 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.438 0.427 -25.174 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.191 1.628 -25.443 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.851 0.545 -27.589 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.169 0.220 -27.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.611 -1.746 -27.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.662 -1.951 -26.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.325 -1.639 -26.367 1.00 0.00 H new ATOM 1716 N ALA A 116 -3.554 0.431 -22.482 1.00 0.00 N ATOM 1717 CA ALA A 116 -2.145 0.329 -22.954 1.00 0.00 C ATOM 1718 C ALA A 116 -1.377 -0.644 -22.057 1.00 0.00 C ATOM 1719 O ALA A 116 -0.468 -1.320 -22.496 1.00 0.00 O ATOM 1720 CB ALA A 116 -1.487 1.709 -22.894 1.00 0.00 C ATOM 0 H ALA A 116 -3.808 1.325 -22.062 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.130 -0.036 -23.981 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.456 1.636 -23.239 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.035 2.402 -23.533 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.501 2.074 -21.867 1.00 0.00 H new ATOM 1726 N ALA A 117 -1.736 -0.725 -20.805 1.00 0.00 N ATOM 1727 CA ALA A 117 -1.027 -1.657 -19.885 1.00 0.00 C ATOM 1728 C ALA A 117 -1.394 -3.099 -20.244 1.00 0.00 C ATOM 1729 O ALA A 117 -0.543 -3.908 -20.556 1.00 0.00 O ATOM 1730 CB ALA A 117 -1.444 -1.365 -18.441 1.00 0.00 C ATOM 0 H ALA A 117 -2.490 -0.186 -20.380 1.00 0.00 H new ATOM 0 HA ALA A 117 0.050 -1.520 -19.984 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.925 -2.047 -17.767 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.184 -0.337 -18.188 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.520 -1.503 -18.338 1.00 0.00 H new ATOM 1736 N ILE A 118 -2.657 -3.426 -20.202 1.00 0.00 N ATOM 1737 CA ILE A 118 -3.082 -4.813 -20.541 1.00 0.00 C ATOM 1738 C ILE A 118 -2.431 -5.239 -21.859 1.00 0.00 C ATOM 1739 O ILE A 118 -1.940 -6.343 -21.990 1.00 0.00 O ATOM 1740 CB ILE A 118 -4.604 -4.857 -20.688 1.00 0.00 C ATOM 1741 CG1 ILE A 118 -5.246 -4.943 -19.300 1.00 0.00 C ATOM 1742 CG2 ILE A 118 -5.004 -6.084 -21.509 1.00 0.00 C ATOM 1743 CD1 ILE A 118 -6.759 -4.759 -19.426 1.00 0.00 C ATOM 0 H ILE A 118 -3.414 -2.791 -19.947 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.772 -5.492 -19.747 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.946 -3.954 -21.194 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.023 -5.907 -18.843 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.829 -4.177 -18.646 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.089 -6.114 -21.613 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.546 -6.026 -22.496 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.663 -6.987 -21.003 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.216 -4.820 -18.439 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.972 -3.784 -19.865 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.169 -5.541 -20.065 1.00 0.00 H new ATOM 1755 N ALA A 119 -2.425 -4.374 -22.835 1.00 0.00 N ATOM 1756 CA ALA A 119 -1.809 -4.731 -24.143 1.00 0.00 C ATOM 1757 C ALA A 119 -0.343 -5.115 -23.932 1.00 0.00 C ATOM 1758 O ALA A 119 0.069 -6.216 -24.236 1.00 0.00 O ATOM 1759 CB ALA A 119 -1.891 -3.530 -25.089 1.00 0.00 C ATOM 0 H ALA A 119 -2.820 -3.435 -22.783 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.345 -5.575 -24.578 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.440 -3.790 -26.047 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.935 -3.257 -25.241 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.356 -2.686 -24.653 1.00 0.00 H new ATOM 1765 N ASP A 120 0.448 -4.215 -23.417 1.00 0.00 N ATOM 1766 CA ASP A 120 1.887 -4.530 -23.190 1.00 0.00 C ATOM 1767 C ASP A 120 2.013 -5.872 -22.464 1.00 0.00 C ATOM 1768 O ASP A 120 2.928 -6.634 -22.702 1.00 0.00 O ATOM 1769 CB ASP A 120 2.522 -3.428 -22.338 1.00 0.00 C ATOM 1770 CG ASP A 120 3.011 -2.299 -23.245 1.00 0.00 C ATOM 1771 OD1 ASP A 120 2.329 -2.006 -24.214 1.00 0.00 O ATOM 1772 OD2 ASP A 120 4.059 -1.745 -22.957 1.00 0.00 O ATOM 0 H ASP A 120 0.161 -3.275 -23.143 1.00 0.00 H new ATOM 0 HA ASP A 120 2.399 -4.590 -24.150 1.00 0.00 H new ATOM 0 HB2 ASP A 120 1.796 -3.044 -21.621 1.00 0.00 H new ATOM 0 HB3 ASP A 120 3.355 -3.833 -21.763 1.00 0.00 H new ATOM 1777 N TYR A 121 1.101 -6.167 -21.578 1.00 0.00 N ATOM 1778 CA TYR A 121 1.172 -7.457 -20.835 1.00 0.00 C ATOM 1779 C TYR A 121 0.874 -8.617 -21.788 1.00 0.00 C ATOM 1780 O TYR A 121 1.724 -9.441 -22.062 1.00 0.00 O ATOM 1781 CB TYR A 121 0.143 -7.447 -19.701 1.00 0.00 C ATOM 1782 CG TYR A 121 0.046 -8.824 -19.091 1.00 0.00 C ATOM 1783 CD1 TYR A 121 -0.860 -9.759 -19.608 1.00 0.00 C ATOM 1784 CD2 TYR A 121 0.862 -9.169 -18.006 1.00 0.00 C ATOM 1785 CE1 TYR A 121 -0.951 -11.035 -19.041 1.00 0.00 C ATOM 1786 CE2 TYR A 121 0.771 -10.446 -17.439 1.00 0.00 C ATOM 1787 CZ TYR A 121 -0.135 -11.378 -17.957 1.00 0.00 C ATOM 1788 OH TYR A 121 -0.225 -12.637 -17.398 1.00 0.00 O ATOM 0 H TYR A 121 0.310 -5.570 -21.337 1.00 0.00 H new ATOM 0 HA TYR A 121 2.172 -7.582 -20.419 1.00 0.00 H new ATOM 0 HB2 TYR A 121 0.432 -6.721 -18.941 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.830 -7.138 -20.083 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -1.489 -9.495 -20.445 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.562 -8.450 -17.607 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -1.651 -11.755 -19.440 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.400 -10.712 -16.602 1.00 0.00 H new ATOM 0 HH TYR A 121 0.411 -12.712 -16.656 1.00 0.00 H new ATOM 1798 N LYS A 122 -0.327 -8.691 -22.293 1.00 0.00 N ATOM 1799 CA LYS A 122 -0.675 -9.802 -23.225 1.00 0.00 C ATOM 1800 C LYS A 122 0.368 -9.882 -24.343 1.00 0.00 C ATOM 1801 O LYS A 122 0.567 -10.919 -24.946 1.00 0.00 O ATOM 1802 CB LYS A 122 -2.054 -9.543 -23.833 1.00 0.00 C ATOM 1803 CG LYS A 122 -2.662 -10.866 -24.300 1.00 0.00 C ATOM 1804 CD LYS A 122 -3.799 -11.268 -23.359 1.00 0.00 C ATOM 1805 CE LYS A 122 -5.000 -10.350 -23.586 1.00 0.00 C ATOM 1806 NZ LYS A 122 -6.259 -11.119 -23.377 1.00 0.00 N ATOM 0 H LYS A 122 -1.081 -8.032 -22.101 1.00 0.00 H new ATOM 0 HA LYS A 122 -0.689 -10.743 -22.676 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.705 -9.071 -23.097 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.969 -8.853 -24.673 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.037 -10.766 -25.318 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.898 -11.643 -24.317 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.082 -12.305 -23.537 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -3.468 -11.201 -22.323 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.960 -9.504 -22.900 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.974 -9.942 -24.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.077 -10.495 -23.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.297 -11.912 -24.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.283 -11.487 -22.405 1.00 0.00 H new ATOM 1820 N ALA A 123 1.033 -8.797 -24.628 1.00 0.00 N ATOM 1821 CA ALA A 123 2.059 -8.814 -25.711 1.00 0.00 C ATOM 1822 C ALA A 123 3.202 -9.756 -25.323 1.00 0.00 C ATOM 1823 O ALA A 123 4.111 -9.990 -26.093 1.00 0.00 O ATOM 1824 CB ALA A 123 2.613 -7.401 -25.911 1.00 0.00 C ATOM 0 H ALA A 123 0.911 -7.899 -24.159 1.00 0.00 H new ATOM 0 HA ALA A 123 1.600 -9.162 -26.636 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.363 -7.413 -26.702 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.802 -6.728 -26.190 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.069 -7.055 -24.984 1.00 0.00 H new ATOM 1830 N LYS A 124 3.166 -10.295 -24.136 1.00 0.00 N ATOM 1831 CA LYS A 124 4.255 -11.217 -23.707 1.00 0.00 C ATOM 1832 C LYS A 124 3.709 -12.642 -23.598 1.00 0.00 C ATOM 1833 O LYS A 124 4.424 -13.606 -23.784 1.00 0.00 O ATOM 1834 CB LYS A 124 4.797 -10.768 -22.349 1.00 0.00 C ATOM 1835 CG LYS A 124 6.120 -10.026 -22.549 1.00 0.00 C ATOM 1836 CD LYS A 124 6.485 -9.262 -21.273 1.00 0.00 C ATOM 1837 CE LYS A 124 6.989 -7.866 -21.641 1.00 0.00 C ATOM 1838 NZ LYS A 124 7.795 -7.943 -22.893 1.00 0.00 N ATOM 0 H LYS A 124 2.432 -10.138 -23.446 1.00 0.00 H new ATOM 0 HA LYS A 124 5.059 -11.196 -24.443 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.075 -10.119 -21.854 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.946 -11.632 -21.701 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.910 -10.734 -22.798 1.00 0.00 H new ATOM 0 HG3 LYS A 124 6.036 -9.334 -23.387 1.00 0.00 H new ATOM 0 HD2 LYS A 124 5.615 -9.186 -20.621 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.252 -9.803 -20.719 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.147 -7.188 -21.779 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.594 -7.461 -20.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 8.544 -7.222 -22.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.226 -8.886 -22.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.179 -7.775 -23.714 1.00 0.00 H new