USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 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 69 SER OG : rot 155:sc= 0.926 USER MOD Set 1.2: A 106 CYS SG : rot 4:sc= -0.105 USER MOD Set 2.1: A 63 CYS SG : rot 70:sc= -2.9! USER MOD Set 2.2: A 103 LYS NZ :NH3+ 142:sc= 1.21 (180deg=0) USER MOD Set 3.1: A 41 MET CE :methyl -133:sc= -0.411 (180deg=-0.405) USER MOD Set 3.2: A 70 SER OG : rot 98:sc= -2.66! USER MOD Set 4.1: A 29 THR OG1 : rot 180:sc= -1.58 USER MOD Set 4.2: A 44 GLN : amide:sc= -3.6! K(o=-5.2!,f=1.2) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -3.17! C(o=-3.2!,f=-1.5!) 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 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 138:sc= -2.05 (180deg=-6.2!) USER MOD Single : A 50 ASN : amide:sc= -4.29! C(o=-4.3!,f=-3.6!) 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= -0.13 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 6:sc= -1.7 USER MOD Single : A 78 LYS NZ :NH3+ 165:sc= 0.0121 (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= -0.101 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0.456 K(o=0.46,f=-6.4!) USER MOD Single : A 91 SER OG : rot 180:sc= 0.123 USER MOD Single : A 92 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.048) USER MOD Single : A 105 HIS : no HD1:sc= -2.85! C(o=-2.8!,f=-7.9!) USER MOD Single : A 107 SER OG : rot -144:sc= 0.682 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -176:sc= -5.03! (180deg=-5.09!) USER MOD Single : A 124 LYS NZ :NH3+ 165:sc= 0.722 (180deg=0.603) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 8.760 -10.870 -17.801 1.00 0.00 N ATOM 375 CA ASP A 24 7.705 -11.663 -17.108 1.00 0.00 C ATOM 376 C ASP A 24 6.339 -11.336 -17.715 1.00 0.00 C ATOM 377 O ASP A 24 6.181 -10.363 -18.426 1.00 0.00 O ATOM 378 CB ASP A 24 7.701 -11.316 -15.616 1.00 0.00 C ATOM 379 CG ASP A 24 7.909 -12.589 -14.794 1.00 0.00 C ATOM 380 OD1 ASP A 24 7.361 -13.612 -15.173 1.00 0.00 O ATOM 381 OD2 ASP A 24 8.612 -12.521 -13.799 1.00 0.00 O ATOM 0 HA ASP A 24 7.910 -12.726 -17.231 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.490 -10.597 -15.397 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.756 -10.845 -15.344 1.00 0.00 H new ATOM 386 N SER A 25 5.351 -12.144 -17.443 1.00 0.00 N ATOM 387 CA SER A 25 3.996 -11.881 -18.007 1.00 0.00 C ATOM 388 C SER A 25 3.086 -11.306 -16.920 1.00 0.00 C ATOM 389 O SER A 25 1.933 -11.008 -17.158 1.00 0.00 O ATOM 390 CB SER A 25 3.402 -13.190 -18.530 1.00 0.00 C ATOM 391 OG SER A 25 4.406 -13.916 -19.226 1.00 0.00 O ATOM 0 H SER A 25 5.423 -12.974 -16.855 1.00 0.00 H new ATOM 0 HA SER A 25 4.077 -11.164 -18.824 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.016 -13.784 -17.702 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.562 -12.982 -19.193 1.00 0.00 H new ATOM 0 HG SER A 25 4.029 -14.756 -19.561 1.00 0.00 H new ATOM 397 N ASN A 26 3.594 -11.147 -15.728 1.00 0.00 N ATOM 398 CA ASN A 26 2.751 -10.589 -14.631 1.00 0.00 C ATOM 399 C ASN A 26 3.119 -9.121 -14.406 1.00 0.00 C ATOM 400 O ASN A 26 2.723 -8.514 -13.430 1.00 0.00 O ATOM 401 CB ASN A 26 2.997 -11.381 -13.344 1.00 0.00 C ATOM 402 CG ASN A 26 4.169 -12.342 -13.551 1.00 0.00 C ATOM 403 OD1 ASN A 26 5.135 -12.307 -12.815 1.00 0.00 O ATOM 404 ND2 ASN A 26 4.125 -13.205 -14.529 1.00 0.00 N ATOM 0 H ASN A 26 4.552 -11.378 -15.466 1.00 0.00 H new ATOM 0 HA ASN A 26 1.699 -10.663 -14.906 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.213 -10.700 -12.521 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.101 -11.938 -13.070 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.902 -13.850 -14.675 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.314 -13.235 -15.147 1.00 0.00 H new ATOM 411 N VAL A 27 3.872 -8.545 -15.303 1.00 0.00 N ATOM 412 CA VAL A 27 4.263 -7.117 -15.143 1.00 0.00 C ATOM 413 C VAL A 27 3.734 -6.310 -16.330 1.00 0.00 C ATOM 414 O VAL A 27 4.199 -6.447 -17.444 1.00 0.00 O ATOM 415 CB VAL A 27 5.789 -7.010 -15.092 1.00 0.00 C ATOM 416 CG1 VAL A 27 6.208 -5.561 -15.334 1.00 0.00 C ATOM 417 CG2 VAL A 27 6.285 -7.460 -13.716 1.00 0.00 C ATOM 0 H VAL A 27 4.233 -9.003 -16.140 1.00 0.00 H new ATOM 0 HA VAL A 27 3.840 -6.724 -14.218 1.00 0.00 H new ATOM 0 HB VAL A 27 6.223 -7.647 -15.863 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.295 -5.486 -15.298 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.855 -5.239 -16.313 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.774 -4.923 -14.564 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.372 -7.384 -13.678 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.850 -6.823 -12.946 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.987 -8.494 -13.542 1.00 0.00 H new ATOM 427 N GLY A 28 2.761 -5.470 -16.101 1.00 0.00 N ATOM 428 CA GLY A 28 2.201 -4.657 -17.217 1.00 0.00 C ATOM 429 C GLY A 28 2.777 -3.241 -17.160 1.00 0.00 C ATOM 430 O GLY A 28 3.028 -2.704 -16.100 1.00 0.00 O ATOM 0 H GLY A 28 2.330 -5.312 -15.190 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.442 -5.120 -18.174 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.114 -4.621 -17.145 1.00 0.00 H new ATOM 434 N THR A 29 2.988 -2.632 -18.295 1.00 0.00 N ATOM 435 CA THR A 29 3.547 -1.251 -18.308 1.00 0.00 C ATOM 436 C THR A 29 2.843 -0.430 -19.390 1.00 0.00 C ATOM 437 O THR A 29 2.612 -0.901 -20.486 1.00 0.00 O ATOM 438 CB THR A 29 5.046 -1.312 -18.608 1.00 0.00 C ATOM 439 OG1 THR A 29 5.709 -2.014 -17.564 1.00 0.00 O ATOM 440 CG2 THR A 29 5.608 0.106 -18.709 1.00 0.00 C ATOM 0 H THR A 29 2.797 -3.032 -19.214 1.00 0.00 H new ATOM 0 HA THR A 29 3.390 -0.784 -17.336 1.00 0.00 H new ATOM 0 HB THR A 29 5.206 -1.830 -19.553 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.669 -2.055 -17.755 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.676 0.060 -18.923 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.100 0.642 -19.511 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.449 0.628 -17.766 1.00 0.00 H new ATOM 448 N GLY A 30 2.498 0.793 -19.094 1.00 0.00 N ATOM 449 CA GLY A 30 1.807 1.635 -20.111 1.00 0.00 C ATOM 450 C GLY A 30 2.241 3.094 -19.956 1.00 0.00 C ATOM 451 O GLY A 30 2.573 3.544 -18.877 1.00 0.00 O ATOM 0 H GLY A 30 2.664 1.245 -18.195 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.045 1.280 -21.114 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.727 1.553 -19.992 1.00 0.00 H new ATOM 455 N MET A 31 2.236 3.838 -21.029 1.00 0.00 N ATOM 456 CA MET A 31 2.644 5.269 -20.949 1.00 0.00 C ATOM 457 C MET A 31 1.787 6.092 -21.915 1.00 0.00 C ATOM 458 O MET A 31 1.979 6.056 -23.114 1.00 0.00 O ATOM 459 CB MET A 31 4.118 5.406 -21.338 1.00 0.00 C ATOM 460 CG MET A 31 5.001 5.239 -20.097 1.00 0.00 C ATOM 461 SD MET A 31 6.654 5.888 -20.444 1.00 0.00 S ATOM 462 CE MET A 31 7.590 4.452 -19.867 1.00 0.00 C ATOM 0 H MET A 31 1.967 3.516 -21.958 1.00 0.00 H new ATOM 0 HA MET A 31 2.503 5.631 -19.930 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.378 4.655 -22.084 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.294 6.381 -21.792 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.561 5.767 -19.251 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.062 4.187 -19.820 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.657 4.639 -19.991 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.373 4.276 -18.813 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.305 3.575 -20.448 1.00 0.00 H new ATOM 472 N VAL A 32 0.844 6.833 -21.402 1.00 0.00 N ATOM 473 CA VAL A 32 -0.021 7.656 -22.294 1.00 0.00 C ATOM 474 C VAL A 32 0.286 9.139 -22.074 1.00 0.00 C ATOM 475 O VAL A 32 1.172 9.496 -21.324 1.00 0.00 O ATOM 476 CB VAL A 32 -1.492 7.388 -21.971 1.00 0.00 C ATOM 477 CG1 VAL A 32 -2.034 6.311 -22.912 1.00 0.00 C ATOM 478 CG2 VAL A 32 -1.616 6.908 -20.524 1.00 0.00 C ATOM 0 H VAL A 32 0.635 6.904 -20.406 1.00 0.00 H new ATOM 0 HA VAL A 32 0.176 7.393 -23.333 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.065 8.306 -22.101 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.082 6.120 -22.681 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.945 6.651 -23.944 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.461 5.393 -22.782 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.664 6.717 -20.293 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.042 5.990 -20.395 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.230 7.675 -19.852 1.00 0.00 H new ATOM 488 N GLY A 33 -0.442 10.003 -22.725 1.00 0.00 N ATOM 489 CA GLY A 33 -0.195 11.464 -22.555 1.00 0.00 C ATOM 490 C GLY A 33 -1.126 12.245 -23.483 1.00 0.00 C ATOM 491 O GLY A 33 -1.601 11.732 -24.476 1.00 0.00 O ATOM 0 H GLY A 33 -1.197 9.762 -23.367 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.367 11.755 -21.519 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.845 11.698 -22.783 1.00 0.00 H new ATOM 495 N ALA A 34 -1.391 13.484 -23.170 1.00 0.00 N ATOM 496 CA ALA A 34 -2.292 14.291 -24.037 1.00 0.00 C ATOM 497 C ALA A 34 -1.473 15.363 -24.768 1.00 0.00 C ATOM 498 O ALA A 34 -0.602 15.983 -24.191 1.00 0.00 O ATOM 499 CB ALA A 34 -3.360 14.967 -23.174 1.00 0.00 C ATOM 0 H ALA A 34 -1.023 13.971 -22.353 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.773 13.640 -24.767 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.020 15.558 -23.809 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.942 14.207 -22.654 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.879 15.618 -22.444 1.00 0.00 H new ATOM 505 N PRO A 35 -1.750 15.580 -26.028 1.00 0.00 N ATOM 506 CA PRO A 35 -1.026 16.595 -26.847 1.00 0.00 C ATOM 507 C PRO A 35 -1.420 18.027 -26.475 1.00 0.00 C ATOM 508 O PRO A 35 -0.978 18.982 -27.084 1.00 0.00 O ATOM 509 CB PRO A 35 -1.452 16.279 -28.281 1.00 0.00 C ATOM 510 CG PRO A 35 -2.778 15.604 -28.160 1.00 0.00 C ATOM 511 CD PRO A 35 -2.784 14.883 -26.811 1.00 0.00 C ATOM 0 HA PRO A 35 0.052 16.544 -26.693 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.527 17.188 -28.878 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.725 15.633 -28.774 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.588 16.331 -28.214 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.929 14.898 -28.977 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.760 14.947 -26.329 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -2.553 13.824 -26.924 1.00 0.00 H new ATOM 519 N ALA A 36 -2.247 18.185 -25.478 1.00 0.00 N ATOM 520 CA ALA A 36 -2.669 19.554 -25.068 1.00 0.00 C ATOM 521 C ALA A 36 -1.462 20.314 -24.514 1.00 0.00 C ATOM 522 O ALA A 36 -0.858 21.119 -25.194 1.00 0.00 O ATOM 523 CB ALA A 36 -3.749 19.452 -23.989 1.00 0.00 C ATOM 0 H ALA A 36 -2.649 17.425 -24.929 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.068 20.087 -25.931 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.059 20.453 -23.688 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.608 18.910 -24.384 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.351 18.920 -23.125 1.00 0.00 H new ATOM 529 N CYS A 37 -1.108 20.065 -23.284 1.00 0.00 N ATOM 530 CA CYS A 37 0.060 20.772 -22.687 1.00 0.00 C ATOM 531 C CYS A 37 1.215 19.784 -22.511 1.00 0.00 C ATOM 532 O CYS A 37 2.117 20.004 -21.727 1.00 0.00 O ATOM 533 CB CYS A 37 -0.333 21.346 -21.325 1.00 0.00 C ATOM 534 SG CYS A 37 -1.395 22.791 -21.561 1.00 0.00 S ATOM 0 H CYS A 37 -1.577 19.403 -22.666 1.00 0.00 H new ATOM 0 HA CYS A 37 0.371 21.583 -23.346 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.855 20.591 -20.737 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.560 21.625 -20.765 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.730 23.277 -20.403 1.00 0.00 H new ATOM 540 N GLY A 38 1.193 18.698 -23.233 1.00 0.00 N ATOM 541 CA GLY A 38 2.288 17.696 -23.104 1.00 0.00 C ATOM 542 C GLY A 38 2.193 17.013 -21.739 1.00 0.00 C ATOM 543 O GLY A 38 3.144 16.977 -20.983 1.00 0.00 O ATOM 0 H GLY A 38 0.464 18.461 -23.906 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.213 16.955 -23.900 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.257 18.184 -23.212 1.00 0.00 H new ATOM 547 N ASP A 39 1.049 16.475 -21.416 1.00 0.00 N ATOM 548 CA ASP A 39 0.888 15.797 -20.098 1.00 0.00 C ATOM 549 C ASP A 39 1.333 14.338 -20.211 1.00 0.00 C ATOM 550 O ASP A 39 0.752 13.557 -20.939 1.00 0.00 O ATOM 551 CB ASP A 39 -0.580 15.852 -19.674 1.00 0.00 C ATOM 552 CG ASP A 39 -1.038 17.309 -19.602 1.00 0.00 C ATOM 553 OD1 ASP A 39 -0.981 17.979 -20.619 1.00 0.00 O ATOM 554 OD2 ASP A 39 -1.437 17.732 -18.528 1.00 0.00 O ATOM 0 H ASP A 39 0.218 16.475 -22.008 1.00 0.00 H new ATOM 0 HA ASP A 39 1.502 16.304 -19.353 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.195 15.301 -20.385 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.707 15.372 -18.704 1.00 0.00 H new ATOM 559 N VAL A 40 2.355 13.960 -19.492 1.00 0.00 N ATOM 560 CA VAL A 40 2.831 12.549 -19.553 1.00 0.00 C ATOM 561 C VAL A 40 2.197 11.754 -18.410 1.00 0.00 C ATOM 562 O VAL A 40 2.361 12.079 -17.251 1.00 0.00 O ATOM 563 CB VAL A 40 4.354 12.515 -19.413 1.00 0.00 C ATOM 564 CG1 VAL A 40 4.792 13.520 -18.348 1.00 0.00 C ATOM 565 CG2 VAL A 40 4.792 11.108 -18.996 1.00 0.00 C ATOM 0 H VAL A 40 2.881 14.568 -18.865 1.00 0.00 H new ATOM 0 HA VAL A 40 2.547 12.109 -20.509 1.00 0.00 H new ATOM 0 HB VAL A 40 4.814 12.775 -20.367 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.877 13.495 -18.249 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.477 14.521 -18.641 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.334 13.261 -17.393 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.877 11.080 -18.895 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.332 10.852 -18.042 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.479 10.390 -19.754 1.00 0.00 H new ATOM 575 N MET A 41 1.472 10.716 -18.724 1.00 0.00 N ATOM 576 CA MET A 41 0.829 9.911 -17.650 1.00 0.00 C ATOM 577 C MET A 41 1.366 8.478 -17.686 1.00 0.00 C ATOM 578 O MET A 41 1.121 7.735 -18.614 1.00 0.00 O ATOM 579 CB MET A 41 -0.686 9.890 -17.865 1.00 0.00 C ATOM 580 CG MET A 41 -1.389 9.755 -16.514 1.00 0.00 C ATOM 581 SD MET A 41 -2.913 8.801 -16.717 1.00 0.00 S ATOM 582 CE MET A 41 -2.561 7.542 -15.466 1.00 0.00 C ATOM 0 H MET A 41 1.298 10.392 -19.675 1.00 0.00 H new ATOM 0 HA MET A 41 1.055 10.358 -16.682 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.006 10.805 -18.364 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.961 9.059 -18.515 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.732 9.262 -15.798 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.616 10.742 -16.111 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.767 6.554 -15.877 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.513 7.602 -15.174 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.191 7.711 -14.593 1.00 0.00 H new ATOM 592 N GLN A 42 2.093 8.087 -16.676 1.00 0.00 N ATOM 593 CA GLN A 42 2.640 6.702 -16.644 1.00 0.00 C ATOM 594 C GLN A 42 1.756 5.836 -15.746 1.00 0.00 C ATOM 595 O GLN A 42 1.297 6.271 -14.709 1.00 0.00 O ATOM 596 CB GLN A 42 4.066 6.729 -16.085 1.00 0.00 C ATOM 597 CG GLN A 42 4.539 5.298 -15.821 1.00 0.00 C ATOM 598 CD GLN A 42 5.968 5.325 -15.274 1.00 0.00 C ATOM 599 OE1 GLN A 42 6.187 5.087 -14.104 1.00 0.00 O ATOM 600 NE2 GLN A 42 6.956 5.610 -16.079 1.00 0.00 N ATOM 0 H GLN A 42 2.332 8.667 -15.872 1.00 0.00 H new ATOM 0 HA GLN A 42 2.656 6.289 -17.653 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.735 7.220 -16.791 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.095 7.309 -15.162 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.875 4.810 -15.108 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.502 4.716 -16.742 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.771 5.810 -17.062 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.912 5.633 -15.725 1.00 0.00 H new ATOM 609 N LEU A 43 1.509 4.616 -16.133 1.00 0.00 N ATOM 610 CA LEU A 43 0.650 3.733 -15.297 1.00 0.00 C ATOM 611 C LEU A 43 1.057 2.272 -15.502 1.00 0.00 C ATOM 612 O LEU A 43 1.022 1.755 -16.601 1.00 0.00 O ATOM 613 CB LEU A 43 -0.814 3.917 -15.697 1.00 0.00 C ATOM 614 CG LEU A 43 -1.708 3.139 -14.731 1.00 0.00 C ATOM 615 CD1 LEU A 43 -2.862 4.031 -14.270 1.00 0.00 C ATOM 616 CD2 LEU A 43 -2.270 1.903 -15.439 1.00 0.00 C ATOM 0 H LEU A 43 1.864 4.193 -16.990 1.00 0.00 H new ATOM 0 HA LEU A 43 0.776 3.998 -14.247 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.076 4.975 -15.680 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.970 3.566 -16.717 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.122 2.828 -13.866 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.499 3.475 -13.581 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.463 4.911 -13.765 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.448 4.343 -15.134 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.907 1.348 -14.751 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.855 2.214 -16.305 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.448 1.266 -15.766 1.00 0.00 H new ATOM 628 N GLN A 44 1.437 1.603 -14.449 1.00 0.00 N ATOM 629 CA GLN A 44 1.840 0.174 -14.578 1.00 0.00 C ATOM 630 C GLN A 44 1.032 -0.667 -13.588 1.00 0.00 C ATOM 631 O GLN A 44 0.253 -0.150 -12.814 1.00 0.00 O ATOM 632 CB GLN A 44 3.333 0.034 -14.269 1.00 0.00 C ATOM 633 CG GLN A 44 4.114 1.112 -15.021 1.00 0.00 C ATOM 634 CD GLN A 44 5.567 0.662 -15.192 1.00 0.00 C ATOM 635 OE1 GLN A 44 6.477 1.461 -15.097 1.00 0.00 O ATOM 636 NE2 GLN A 44 5.822 -0.593 -15.441 1.00 0.00 N ATOM 0 H GLN A 44 1.486 1.984 -13.504 1.00 0.00 H new ATOM 0 HA GLN A 44 1.648 -0.171 -15.594 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.503 0.128 -13.197 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.684 -0.955 -14.562 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.660 1.292 -15.996 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.075 2.053 -14.473 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.057 -1.263 -15.520 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.786 -0.904 -15.556 1.00 0.00 H new ATOM 645 N ILE A 45 1.209 -1.959 -13.607 1.00 0.00 N ATOM 646 CA ILE A 45 0.445 -2.824 -12.665 1.00 0.00 C ATOM 647 C ILE A 45 1.258 -4.078 -12.344 1.00 0.00 C ATOM 648 O ILE A 45 2.131 -4.474 -13.090 1.00 0.00 O ATOM 649 CB ILE A 45 -0.884 -3.227 -13.307 1.00 0.00 C ATOM 650 CG1 ILE A 45 -0.758 -3.149 -14.831 1.00 0.00 C ATOM 651 CG2 ILE A 45 -1.987 -2.276 -12.840 1.00 0.00 C ATOM 652 CD1 ILE A 45 -1.678 -4.191 -15.471 1.00 0.00 C ATOM 0 H ILE A 45 1.847 -2.452 -14.232 1.00 0.00 H new ATOM 0 HA ILE A 45 0.252 -2.274 -11.744 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.134 -4.246 -13.013 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.024 -2.151 -15.178 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.275 -3.326 -15.131 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.933 -2.564 -13.298 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.078 -2.329 -11.755 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.737 -1.257 -13.134 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.590 -4.137 -16.556 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.391 -5.187 -15.133 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.710 -3.993 -15.181 1.00 0.00 H new ATOM 664 N LYS A 46 0.979 -4.708 -11.235 1.00 0.00 N ATOM 665 CA LYS A 46 1.734 -5.938 -10.862 1.00 0.00 C ATOM 666 C LYS A 46 0.750 -7.035 -10.451 1.00 0.00 C ATOM 667 O LYS A 46 -0.182 -6.801 -9.707 1.00 0.00 O ATOM 668 CB LYS A 46 2.671 -5.628 -9.692 1.00 0.00 C ATOM 669 CG LYS A 46 3.947 -6.462 -9.825 1.00 0.00 C ATOM 670 CD LYS A 46 4.678 -6.491 -8.481 1.00 0.00 C ATOM 671 CE LYS A 46 4.156 -7.658 -7.639 1.00 0.00 C ATOM 672 NZ LYS A 46 4.364 -8.936 -8.379 1.00 0.00 N ATOM 0 H LYS A 46 0.260 -4.423 -10.570 1.00 0.00 H new ATOM 0 HA LYS A 46 2.320 -6.277 -11.716 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.917 -4.566 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.176 -5.850 -8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.701 -7.476 -10.139 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.593 -6.038 -10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.751 -6.596 -8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.525 -5.550 -7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.676 -7.691 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.097 -7.519 -7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.704 -9.666 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.465 -9.243 -8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.068 -8.791 -9.130 1.00 0.00 H new ATOM 686 N VAL A 47 0.953 -8.232 -10.928 1.00 0.00 N ATOM 687 CA VAL A 47 0.031 -9.346 -10.565 1.00 0.00 C ATOM 688 C VAL A 47 0.840 -10.500 -9.972 1.00 0.00 C ATOM 689 O VAL A 47 1.742 -11.020 -10.596 1.00 0.00 O ATOM 690 CB VAL A 47 -0.704 -9.826 -11.818 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.352 -11.184 -11.541 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.786 -8.810 -12.197 1.00 0.00 C ATOM 0 H VAL A 47 1.717 -8.487 -11.553 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.695 -8.996 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 47 0.005 -9.924 -12.640 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.876 -11.526 -12.434 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.582 -11.907 -11.273 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.061 -11.088 -10.719 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.310 -9.152 -13.090 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.496 -8.711 -11.376 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.324 -7.843 -12.396 1.00 0.00 H new ATOM 702 N ASP A 48 0.526 -10.905 -8.772 1.00 0.00 N ATOM 703 CA ASP A 48 1.283 -12.026 -8.144 1.00 0.00 C ATOM 704 C ASP A 48 0.437 -12.675 -7.047 1.00 0.00 C ATOM 705 O ASP A 48 0.528 -13.860 -6.803 1.00 0.00 O ATOM 706 CB ASP A 48 2.575 -11.487 -7.528 1.00 0.00 C ATOM 707 CG ASP A 48 3.756 -11.801 -8.449 1.00 0.00 C ATOM 708 OD1 ASP A 48 3.539 -11.902 -9.646 1.00 0.00 O ATOM 709 OD2 ASP A 48 4.856 -11.937 -7.942 1.00 0.00 O ATOM 0 H ASP A 48 -0.220 -10.510 -8.200 1.00 0.00 H new ATOM 0 HA ASP A 48 1.519 -12.768 -8.907 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.496 -10.410 -7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.737 -11.936 -6.548 1.00 0.00 H new ATOM 714 N ASP A 49 -0.380 -11.906 -6.378 1.00 0.00 N ATOM 715 CA ASP A 49 -1.225 -12.484 -5.295 1.00 0.00 C ATOM 716 C ASP A 49 -2.171 -13.530 -5.888 1.00 0.00 C ATOM 717 O ASP A 49 -3.362 -13.510 -5.654 1.00 0.00 O ATOM 718 CB ASP A 49 -2.039 -11.369 -4.633 1.00 0.00 C ATOM 719 CG ASP A 49 -3.124 -11.984 -3.746 1.00 0.00 C ATOM 720 OD1 ASP A 49 -2.774 -12.553 -2.725 1.00 0.00 O ATOM 721 OD2 ASP A 49 -4.285 -11.878 -4.105 1.00 0.00 O ATOM 0 H ASP A 49 -0.498 -10.905 -6.535 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.587 -12.957 -4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.385 -10.732 -4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.493 -10.735 -5.395 1.00 0.00 H new ATOM 726 N ASN A 50 -1.645 -14.445 -6.654 1.00 0.00 N ATOM 727 CA ASN A 50 -2.509 -15.498 -7.261 1.00 0.00 C ATOM 728 C ASN A 50 -3.239 -14.923 -8.476 1.00 0.00 C ATOM 729 O ASN A 50 -4.446 -15.007 -8.584 1.00 0.00 O ATOM 730 CB ASN A 50 -3.530 -15.978 -6.229 1.00 0.00 C ATOM 731 CG ASN A 50 -2.913 -15.907 -4.830 1.00 0.00 C ATOM 732 OD1 ASN A 50 -1.856 -16.455 -4.592 1.00 0.00 O ATOM 733 ND2 ASN A 50 -3.533 -15.249 -3.889 1.00 0.00 N ATOM 0 H ASN A 50 -0.654 -14.510 -6.886 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.890 -16.338 -7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.427 -15.360 -6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.835 -17.000 -6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.130 -15.195 -2.954 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.421 -14.789 -4.089 1.00 0.00 H new ATOM 740 N GLY A 51 -2.515 -14.342 -9.393 1.00 0.00 N ATOM 741 CA GLY A 51 -3.167 -13.764 -10.603 1.00 0.00 C ATOM 742 C GLY A 51 -3.954 -12.511 -10.216 1.00 0.00 C ATOM 743 O GLY A 51 -4.704 -11.970 -11.005 1.00 0.00 O ATOM 0 H GLY A 51 -1.501 -14.242 -9.357 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.413 -13.515 -11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.834 -14.499 -11.055 1.00 0.00 H new ATOM 747 N ILE A 52 -3.792 -12.044 -9.009 1.00 0.00 N ATOM 748 CA ILE A 52 -4.534 -10.826 -8.578 1.00 0.00 C ATOM 749 C ILE A 52 -3.578 -9.632 -8.543 1.00 0.00 C ATOM 750 O ILE A 52 -2.381 -9.787 -8.401 1.00 0.00 O ATOM 751 CB ILE A 52 -5.121 -11.052 -7.183 1.00 0.00 C ATOM 752 CG1 ILE A 52 -6.119 -12.212 -7.233 1.00 0.00 C ATOM 753 CG2 ILE A 52 -5.836 -9.783 -6.718 1.00 0.00 C ATOM 754 CD1 ILE A 52 -7.204 -11.912 -8.268 1.00 0.00 C ATOM 0 H ILE A 52 -3.179 -12.452 -8.303 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.341 -10.624 -9.282 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.319 -11.292 -6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.604 -13.137 -7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.570 -12.360 -6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.254 -9.944 -5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.126 -8.957 -6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.639 -9.542 -7.415 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.913 -12.739 -8.302 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.727 -10.996 -7.992 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.746 -11.786 -9.249 1.00 0.00 H new ATOM 766 N ILE A 53 -4.095 -8.441 -8.672 1.00 0.00 N ATOM 767 CA ILE A 53 -3.214 -7.239 -8.646 1.00 0.00 C ATOM 768 C ILE A 53 -2.774 -6.961 -7.208 1.00 0.00 C ATOM 769 O ILE A 53 -3.576 -6.639 -6.354 1.00 0.00 O ATOM 770 CB ILE A 53 -3.982 -6.033 -9.188 1.00 0.00 C ATOM 771 CG1 ILE A 53 -4.378 -6.296 -10.643 1.00 0.00 C ATOM 772 CG2 ILE A 53 -3.095 -4.789 -9.118 1.00 0.00 C ATOM 773 CD1 ILE A 53 -5.190 -5.114 -11.176 1.00 0.00 C ATOM 0 H ILE A 53 -5.089 -8.248 -8.794 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.335 -7.418 -9.266 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.878 -5.873 -8.589 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.486 -6.442 -11.252 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.964 -7.213 -10.711 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.643 -3.929 -9.504 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.811 -4.603 -8.082 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.198 -4.947 -9.717 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.471 -5.303 -12.212 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.089 -4.989 -10.573 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.589 -4.206 -11.123 1.00 0.00 H new ATOM 785 N GLU A 54 -1.505 -7.088 -6.932 1.00 0.00 N ATOM 786 CA GLU A 54 -1.014 -6.834 -5.548 1.00 0.00 C ATOM 787 C GLU A 54 -0.743 -5.340 -5.363 1.00 0.00 C ATOM 788 O GLU A 54 -0.956 -4.789 -4.301 1.00 0.00 O ATOM 789 CB GLU A 54 0.280 -7.620 -5.315 1.00 0.00 C ATOM 790 CG GLU A 54 0.697 -7.494 -3.848 1.00 0.00 C ATOM 791 CD GLU A 54 1.941 -6.610 -3.745 1.00 0.00 C ATOM 792 OE1 GLU A 54 2.889 -6.867 -4.468 1.00 0.00 O ATOM 793 OE2 GLU A 54 1.925 -5.689 -2.943 1.00 0.00 O ATOM 0 H GLU A 54 -0.787 -7.357 -7.605 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.771 -7.154 -4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.133 -8.669 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.070 -7.240 -5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.117 -7.065 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.903 -8.480 -3.432 1.00 0.00 H new ATOM 800 N ASP A 55 -0.276 -4.677 -6.386 1.00 0.00 N ATOM 801 CA ASP A 55 0.006 -3.219 -6.258 1.00 0.00 C ATOM 802 C ASP A 55 0.073 -2.582 -7.648 1.00 0.00 C ATOM 803 O ASP A 55 0.195 -3.259 -8.649 1.00 0.00 O ATOM 804 CB ASP A 55 1.346 -3.021 -5.545 1.00 0.00 C ATOM 805 CG ASP A 55 2.453 -3.722 -6.333 1.00 0.00 C ATOM 806 OD1 ASP A 55 2.709 -3.311 -7.453 1.00 0.00 O ATOM 807 OD2 ASP A 55 3.027 -4.660 -5.803 1.00 0.00 O ATOM 0 H ASP A 55 -0.078 -5.080 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.790 -2.747 -5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.568 -1.958 -5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.295 -3.424 -4.533 1.00 0.00 H new ATOM 812 N ALA A 56 -0.004 -1.280 -7.715 1.00 0.00 N ATOM 813 CA ALA A 56 0.057 -0.595 -9.037 1.00 0.00 C ATOM 814 C ALA A 56 1.035 0.578 -8.954 1.00 0.00 C ATOM 815 O ALA A 56 0.865 1.487 -8.165 1.00 0.00 O ATOM 816 CB ALA A 56 -1.332 -0.075 -9.408 1.00 0.00 C ATOM 0 H ALA A 56 -0.107 -0.661 -6.910 1.00 0.00 H new ATOM 0 HA ALA A 56 0.394 -1.299 -9.797 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.287 0.426 -10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.030 -0.910 -9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.671 0.631 -8.649 1.00 0.00 H new ATOM 822 N LYS A 57 2.062 0.565 -9.761 1.00 0.00 N ATOM 823 CA LYS A 57 3.050 1.679 -9.725 1.00 0.00 C ATOM 824 C LYS A 57 2.751 2.664 -10.858 1.00 0.00 C ATOM 825 O LYS A 57 2.726 2.302 -12.017 1.00 0.00 O ATOM 826 CB LYS A 57 4.459 1.111 -9.900 1.00 0.00 C ATOM 827 CG LYS A 57 5.473 2.033 -9.221 1.00 0.00 C ATOM 828 CD LYS A 57 6.865 1.400 -9.292 1.00 0.00 C ATOM 829 CE LYS A 57 7.921 2.498 -9.427 1.00 0.00 C ATOM 830 NZ LYS A 57 9.230 1.884 -9.789 1.00 0.00 N ATOM 0 H LYS A 57 2.258 -0.168 -10.442 1.00 0.00 H new ATOM 0 HA LYS A 57 2.982 2.197 -8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.515 0.112 -9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.694 1.014 -10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.479 3.007 -9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.190 2.200 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.053 0.809 -8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.923 0.719 -10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.620 3.216 -10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.011 3.048 -8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.949 2.629 -9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.517 1.216 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.138 1.378 -10.693 1.00 0.00 H new ATOM 844 N PHE A 58 2.524 3.908 -10.532 1.00 0.00 N ATOM 845 CA PHE A 58 2.226 4.913 -11.591 1.00 0.00 C ATOM 846 C PHE A 58 2.940 6.227 -11.266 1.00 0.00 C ATOM 847 O PHE A 58 3.326 6.474 -10.142 1.00 0.00 O ATOM 848 CB PHE A 58 0.716 5.153 -11.658 1.00 0.00 C ATOM 849 CG PHE A 58 0.306 6.116 -10.570 1.00 0.00 C ATOM 850 CD1 PHE A 58 0.328 7.495 -10.812 1.00 0.00 C ATOM 851 CD2 PHE A 58 -0.099 5.631 -9.321 1.00 0.00 C ATOM 852 CE1 PHE A 58 -0.056 8.389 -9.806 1.00 0.00 C ATOM 853 CE2 PHE A 58 -0.482 6.524 -8.314 1.00 0.00 C ATOM 854 CZ PHE A 58 -0.461 7.904 -8.556 1.00 0.00 C ATOM 0 H PHE A 58 2.532 4.271 -9.579 1.00 0.00 H new ATOM 0 HA PHE A 58 2.576 4.540 -12.553 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.445 5.555 -12.634 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.182 4.210 -11.542 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.641 7.869 -11.775 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.116 4.567 -9.134 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.040 9.452 -9.993 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.794 6.150 -7.350 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.757 8.593 -7.779 1.00 0.00 H new ATOM 864 N LYS A 59 3.117 7.073 -12.244 1.00 0.00 N ATOM 865 CA LYS A 59 3.806 8.372 -11.994 1.00 0.00 C ATOM 866 C LYS A 59 3.100 9.479 -12.781 1.00 0.00 C ATOM 867 O LYS A 59 3.012 9.433 -13.992 1.00 0.00 O ATOM 868 CB LYS A 59 5.264 8.269 -12.448 1.00 0.00 C ATOM 869 CG LYS A 59 5.993 9.578 -12.139 1.00 0.00 C ATOM 870 CD LYS A 59 7.306 9.627 -12.922 1.00 0.00 C ATOM 871 CE LYS A 59 7.968 10.992 -12.725 1.00 0.00 C ATOM 872 NZ LYS A 59 7.800 11.809 -13.960 1.00 0.00 N ATOM 0 H LYS A 59 2.814 6.921 -13.206 1.00 0.00 H new ATOM 0 HA LYS A 59 3.774 8.606 -10.930 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.755 7.439 -11.940 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.308 8.060 -13.517 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.366 10.428 -12.407 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.192 9.653 -11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.974 8.835 -12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.117 9.452 -13.981 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.521 11.505 -11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.027 10.865 -12.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.250 12.737 -13.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.246 11.321 -14.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.787 11.940 -14.154 1.00 0.00 H new ATOM 886 N THR A 60 2.594 10.474 -12.103 1.00 0.00 N ATOM 887 CA THR A 60 1.892 11.579 -12.817 1.00 0.00 C ATOM 888 C THR A 60 2.579 12.912 -12.509 1.00 0.00 C ATOM 889 O THR A 60 2.948 13.186 -11.385 1.00 0.00 O ATOM 890 CB THR A 60 0.434 11.641 -12.354 1.00 0.00 C ATOM 891 OG1 THR A 60 0.380 11.482 -10.944 1.00 0.00 O ATOM 892 CG2 THR A 60 -0.367 10.524 -13.028 1.00 0.00 C ATOM 0 H THR A 60 2.636 10.569 -11.088 1.00 0.00 H new ATOM 0 HA THR A 60 1.928 11.393 -13.890 1.00 0.00 H new ATOM 0 HB THR A 60 0.006 12.606 -12.628 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.553 11.523 -10.646 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.405 10.570 -12.697 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.325 10.648 -14.110 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.058 9.557 -12.757 1.00 0.00 H new ATOM 900 N TYR A 61 2.755 13.741 -13.502 1.00 0.00 N ATOM 901 CA TYR A 61 3.418 15.056 -13.270 1.00 0.00 C ATOM 902 C TYR A 61 3.110 15.995 -14.439 1.00 0.00 C ATOM 903 O TYR A 61 3.712 15.907 -15.490 1.00 0.00 O ATOM 904 CB TYR A 61 4.931 14.850 -13.167 1.00 0.00 C ATOM 905 CG TYR A 61 5.556 16.031 -12.464 1.00 0.00 C ATOM 906 CD1 TYR A 61 5.772 17.227 -13.160 1.00 0.00 C ATOM 907 CD2 TYR A 61 5.919 15.931 -11.115 1.00 0.00 C ATOM 908 CE1 TYR A 61 6.351 18.322 -12.507 1.00 0.00 C ATOM 909 CE2 TYR A 61 6.499 17.025 -10.463 1.00 0.00 C ATOM 910 CZ TYR A 61 6.715 18.219 -11.159 1.00 0.00 C ATOM 911 OH TYR A 61 7.286 19.298 -10.515 1.00 0.00 O ATOM 0 H TYR A 61 2.468 13.564 -14.465 1.00 0.00 H new ATOM 0 HA TYR A 61 3.046 15.494 -12.344 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.147 13.932 -12.620 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.361 14.737 -14.162 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.492 17.305 -14.200 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.751 15.009 -10.578 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.517 19.245 -13.043 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.780 16.947 -9.423 1.00 0.00 H new ATOM 0 HH TYR A 61 7.477 19.060 -9.584 1.00 0.00 H new ATOM 921 N GLY A 62 2.178 16.894 -14.267 1.00 0.00 N ATOM 922 CA GLY A 62 1.843 17.831 -15.377 1.00 0.00 C ATOM 923 C GLY A 62 0.784 18.836 -14.912 1.00 0.00 C ATOM 924 O GLY A 62 0.934 20.030 -15.080 1.00 0.00 O ATOM 0 H GLY A 62 1.637 17.019 -13.411 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.740 18.359 -15.702 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.473 17.272 -16.237 1.00 0.00 H new ATOM 928 N CYS A 63 -0.287 18.366 -14.334 1.00 0.00 N ATOM 929 CA CYS A 63 -1.351 19.302 -13.869 1.00 0.00 C ATOM 930 C CYS A 63 -1.581 19.120 -12.367 1.00 0.00 C ATOM 931 O CYS A 63 -0.958 18.295 -11.728 1.00 0.00 O ATOM 932 CB CYS A 63 -2.652 19.009 -14.621 1.00 0.00 C ATOM 933 SG CYS A 63 -2.294 18.809 -16.385 1.00 0.00 S ATOM 0 H CYS A 63 -0.472 17.377 -14.164 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.038 20.328 -14.064 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.117 18.105 -14.228 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.362 19.823 -14.473 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.633 17.705 -16.571 1.00 0.00 H new ATOM 939 N GLY A 64 -2.475 19.884 -11.799 1.00 0.00 N ATOM 940 CA GLY A 64 -2.749 19.758 -10.340 1.00 0.00 C ATOM 941 C GLY A 64 -4.054 18.988 -10.131 1.00 0.00 C ATOM 942 O GLY A 64 -4.299 18.437 -9.076 1.00 0.00 O ATOM 0 H GLY A 64 -3.028 20.591 -12.284 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.926 19.240 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.821 20.746 -9.886 1.00 0.00 H new ATOM 946 N SER A 65 -4.896 18.947 -11.127 1.00 0.00 N ATOM 947 CA SER A 65 -6.185 18.210 -10.984 1.00 0.00 C ATOM 948 C SER A 65 -5.957 16.726 -11.275 1.00 0.00 C ATOM 949 O SER A 65 -6.069 15.889 -10.403 1.00 0.00 O ATOM 950 CB SER A 65 -7.206 18.772 -11.974 1.00 0.00 C ATOM 951 OG SER A 65 -8.498 18.281 -11.643 1.00 0.00 O ATOM 0 H SER A 65 -4.748 19.391 -12.033 1.00 0.00 H new ATOM 0 HA SER A 65 -6.561 18.328 -9.968 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.199 19.862 -11.943 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.943 18.481 -12.991 1.00 0.00 H new ATOM 0 HG SER A 65 -9.156 18.640 -12.274 1.00 0.00 H new ATOM 957 N ALA A 66 -5.634 16.395 -12.496 1.00 0.00 N ATOM 958 CA ALA A 66 -5.398 14.964 -12.840 1.00 0.00 C ATOM 959 C ALA A 66 -4.515 14.325 -11.768 1.00 0.00 C ATOM 960 O ALA A 66 -4.500 13.121 -11.599 1.00 0.00 O ATOM 961 CB ALA A 66 -4.699 14.876 -14.198 1.00 0.00 C ATOM 0 H ALA A 66 -5.524 17.052 -13.268 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.351 14.437 -12.888 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.526 13.830 -14.451 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.328 15.335 -14.961 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.745 15.401 -14.151 1.00 0.00 H new ATOM 967 N ILE A 67 -3.780 15.121 -11.041 1.00 0.00 N ATOM 968 CA ILE A 67 -2.898 14.559 -9.979 1.00 0.00 C ATOM 969 C ILE A 67 -3.760 13.908 -8.894 1.00 0.00 C ATOM 970 O ILE A 67 -3.257 13.305 -7.967 1.00 0.00 O ATOM 971 CB ILE A 67 -2.062 15.685 -9.366 1.00 0.00 C ATOM 972 CG1 ILE A 67 -0.762 15.106 -8.804 1.00 0.00 C ATOM 973 CG2 ILE A 67 -2.851 16.353 -8.237 1.00 0.00 C ATOM 974 CD1 ILE A 67 0.375 15.348 -9.798 1.00 0.00 C ATOM 0 H ILE A 67 -3.752 16.136 -11.136 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.235 13.810 -10.411 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.831 16.424 -10.134 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.528 15.572 -7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.877 14.038 -8.619 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.255 17.155 -7.801 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.778 16.766 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.083 15.615 -7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.302 14.936 -9.398 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.140 14.862 -10.745 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.495 16.419 -9.960 1.00 0.00 H new ATOM 986 N ALA A 68 -5.056 14.029 -9.001 1.00 0.00 N ATOM 987 CA ALA A 68 -5.948 13.420 -7.974 1.00 0.00 C ATOM 988 C ALA A 68 -6.607 12.162 -8.546 1.00 0.00 C ATOM 989 O ALA A 68 -6.513 11.089 -7.982 1.00 0.00 O ATOM 990 CB ALA A 68 -7.029 14.428 -7.577 1.00 0.00 C ATOM 0 H ALA A 68 -5.535 14.523 -9.754 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.360 13.152 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.682 13.984 -6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.560 15.322 -7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.616 14.697 -8.455 1.00 0.00 H new ATOM 996 N SER A 69 -7.276 12.284 -9.660 1.00 0.00 N ATOM 997 CA SER A 69 -7.943 11.096 -10.266 1.00 0.00 C ATOM 998 C SER A 69 -6.931 9.957 -10.410 1.00 0.00 C ATOM 999 O SER A 69 -7.212 8.820 -10.087 1.00 0.00 O ATOM 1000 CB SER A 69 -8.490 11.467 -11.644 1.00 0.00 C ATOM 1001 OG SER A 69 -9.001 12.793 -11.604 1.00 0.00 O ATOM 0 H SER A 69 -7.390 13.156 -10.177 1.00 0.00 H new ATOM 0 HA SER A 69 -8.762 10.774 -9.623 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.702 11.391 -12.393 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.276 10.770 -11.936 1.00 0.00 H new ATOM 0 HG SER A 69 -8.972 13.182 -12.503 1.00 0.00 H new ATOM 1007 N SER A 70 -5.758 10.252 -10.898 1.00 0.00 N ATOM 1008 CA SER A 70 -4.730 9.186 -11.066 1.00 0.00 C ATOM 1009 C SER A 70 -4.590 8.396 -9.762 1.00 0.00 C ATOM 1010 O SER A 70 -4.650 7.182 -9.751 1.00 0.00 O ATOM 1011 CB SER A 70 -3.387 9.826 -11.422 1.00 0.00 C ATOM 1012 OG SER A 70 -3.046 9.487 -12.759 1.00 0.00 O ATOM 0 H SER A 70 -5.466 11.185 -11.188 1.00 0.00 H new ATOM 0 HA SER A 70 -5.036 8.511 -11.866 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.447 10.909 -11.313 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.613 9.479 -10.738 1.00 0.00 H new ATOM 0 HG SER A 70 -3.296 10.222 -13.357 1.00 0.00 H new ATOM 1018 N SER A 71 -4.399 9.073 -8.663 1.00 0.00 N ATOM 1019 CA SER A 71 -4.250 8.358 -7.364 1.00 0.00 C ATOM 1020 C SER A 71 -5.481 7.482 -7.111 1.00 0.00 C ATOM 1021 O SER A 71 -5.372 6.350 -6.685 1.00 0.00 O ATOM 1022 CB SER A 71 -4.110 9.380 -6.234 1.00 0.00 C ATOM 1023 OG SER A 71 -2.792 9.312 -5.702 1.00 0.00 O ATOM 0 H SER A 71 -4.340 10.090 -8.608 1.00 0.00 H new ATOM 0 HA SER A 71 -3.361 7.728 -7.399 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.313 10.384 -6.608 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.842 9.178 -5.452 1.00 0.00 H new ATOM 0 HG SER A 71 -2.697 9.966 -4.979 1.00 0.00 H new ATOM 1029 N LEU A 72 -6.652 8.000 -7.364 1.00 0.00 N ATOM 1030 CA LEU A 72 -7.887 7.197 -7.131 1.00 0.00 C ATOM 1031 C LEU A 72 -7.835 5.910 -7.957 1.00 0.00 C ATOM 1032 O LEU A 72 -7.729 4.825 -7.424 1.00 0.00 O ATOM 1033 CB LEU A 72 -9.114 8.014 -7.543 1.00 0.00 C ATOM 1034 CG LEU A 72 -10.386 7.293 -7.087 1.00 0.00 C ATOM 1035 CD1 LEU A 72 -11.158 8.181 -6.111 1.00 0.00 C ATOM 1036 CD2 LEU A 72 -11.266 6.989 -8.303 1.00 0.00 C ATOM 0 H LEU A 72 -6.807 8.943 -7.721 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.953 6.944 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.068 9.008 -7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.128 8.149 -8.625 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.114 6.361 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.063 7.666 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.534 8.397 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.429 9.114 -6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.171 6.476 -7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.536 7.921 -8.799 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.718 6.353 -8.999 1.00 0.00 H new ATOM 1048 N ILE A 73 -7.919 6.022 -9.255 1.00 0.00 N ATOM 1049 CA ILE A 73 -7.884 4.804 -10.115 1.00 0.00 C ATOM 1050 C ILE A 73 -6.680 3.935 -9.741 1.00 0.00 C ATOM 1051 O ILE A 73 -6.813 2.755 -9.476 1.00 0.00 O ATOM 1052 CB ILE A 73 -7.777 5.221 -11.583 1.00 0.00 C ATOM 1053 CG1 ILE A 73 -7.599 3.975 -12.454 1.00 0.00 C ATOM 1054 CG2 ILE A 73 -6.572 6.145 -11.767 1.00 0.00 C ATOM 1055 CD1 ILE A 73 -7.614 4.378 -13.929 1.00 0.00 C ATOM 0 H ILE A 73 -8.010 6.905 -9.758 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.799 4.231 -9.963 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.685 5.747 -11.877 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.659 3.479 -12.211 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.397 3.261 -12.253 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.497 6.441 -12.813 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.696 7.033 -11.147 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.663 5.621 -11.472 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.487 3.491 -14.550 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.565 4.854 -14.166 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.800 5.076 -14.124 1.00 0.00 H new ATOM 1067 N THR A 74 -5.506 4.502 -9.723 1.00 0.00 N ATOM 1068 CA THR A 74 -4.297 3.703 -9.373 1.00 0.00 C ATOM 1069 C THR A 74 -4.562 2.890 -8.103 1.00 0.00 C ATOM 1070 O THR A 74 -3.990 1.837 -7.901 1.00 0.00 O ATOM 1071 CB THR A 74 -3.113 4.643 -9.138 1.00 0.00 C ATOM 1072 OG1 THR A 74 -3.486 5.647 -8.204 1.00 0.00 O ATOM 1073 CG2 THR A 74 -2.708 5.297 -10.459 1.00 0.00 C ATOM 0 H THR A 74 -5.331 5.484 -9.935 1.00 0.00 H new ATOM 0 HA THR A 74 -4.067 3.024 -10.194 1.00 0.00 H new ATOM 0 HB THR A 74 -2.270 4.075 -8.744 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.379 5.450 -7.852 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.864 5.966 -10.290 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.422 4.526 -11.174 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.549 5.866 -10.856 1.00 0.00 H new ATOM 1081 N GLU A 75 -5.419 3.368 -7.245 1.00 0.00 N ATOM 1082 CA GLU A 75 -5.712 2.619 -5.989 1.00 0.00 C ATOM 1083 C GLU A 75 -7.038 1.869 -6.133 1.00 0.00 C ATOM 1084 O GLU A 75 -7.438 1.125 -5.260 1.00 0.00 O ATOM 1085 CB GLU A 75 -5.806 3.604 -4.821 1.00 0.00 C ATOM 1086 CG GLU A 75 -6.134 2.844 -3.535 1.00 0.00 C ATOM 1087 CD GLU A 75 -5.331 3.436 -2.375 1.00 0.00 C ATOM 1088 OE1 GLU A 75 -4.129 3.224 -2.343 1.00 0.00 O ATOM 1089 OE2 GLU A 75 -5.930 4.091 -1.539 1.00 0.00 O ATOM 0 H GLU A 75 -5.929 4.244 -7.358 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.913 1.903 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.864 4.141 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.576 4.349 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.201 2.909 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.897 1.787 -3.654 1.00 0.00 H new ATOM 1096 N TRP A 76 -7.723 2.060 -7.226 1.00 0.00 N ATOM 1097 CA TRP A 76 -9.023 1.358 -7.422 1.00 0.00 C ATOM 1098 C TRP A 76 -8.779 0.014 -8.110 1.00 0.00 C ATOM 1099 O TRP A 76 -9.613 -0.868 -8.086 1.00 0.00 O ATOM 1100 CB TRP A 76 -9.940 2.220 -8.292 1.00 0.00 C ATOM 1101 CG TRP A 76 -11.367 1.899 -7.983 1.00 0.00 C ATOM 1102 CD1 TRP A 76 -12.086 2.446 -6.976 1.00 0.00 C ATOM 1103 CD2 TRP A 76 -12.258 0.969 -8.665 1.00 0.00 C ATOM 1104 NE1 TRP A 76 -13.362 1.912 -6.996 1.00 0.00 N ATOM 1105 CE2 TRP A 76 -13.517 0.997 -8.020 1.00 0.00 C ATOM 1106 CE3 TRP A 76 -12.097 0.115 -9.770 1.00 0.00 C ATOM 1107 CZ2 TRP A 76 -14.579 0.204 -8.455 1.00 0.00 C ATOM 1108 CZ3 TRP A 76 -13.164 -0.685 -10.210 1.00 0.00 C ATOM 1109 CH2 TRP A 76 -14.403 -0.641 -9.554 1.00 0.00 C ATOM 0 H TRP A 76 -7.439 2.671 -7.992 1.00 0.00 H new ATOM 0 HA TRP A 76 -9.495 1.188 -6.454 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.746 3.277 -8.108 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -9.735 2.037 -9.347 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -11.723 3.180 -6.272 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -14.098 2.163 -6.336 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -11.148 0.074 -10.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -15.531 0.243 -7.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -13.030 -1.339 -11.059 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -15.219 -1.259 -9.898 1.00 0.00 H new ATOM 1120 N VAL A 77 -7.639 -0.149 -8.725 1.00 0.00 N ATOM 1121 CA VAL A 77 -7.340 -1.435 -9.414 1.00 0.00 C ATOM 1122 C VAL A 77 -6.329 -2.234 -8.588 1.00 0.00 C ATOM 1123 O VAL A 77 -5.589 -3.044 -9.109 1.00 0.00 O ATOM 1124 CB VAL A 77 -6.753 -1.149 -10.798 1.00 0.00 C ATOM 1125 CG1 VAL A 77 -7.815 -0.485 -11.678 1.00 0.00 C ATOM 1126 CG2 VAL A 77 -5.550 -0.213 -10.657 1.00 0.00 C ATOM 0 H VAL A 77 -6.902 0.554 -8.780 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.259 -2.011 -9.521 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.435 -2.085 -11.258 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.396 -0.282 -12.663 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.672 -1.151 -11.779 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.134 0.451 -11.219 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.131 -0.008 -11.642 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.869 0.722 -10.197 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.793 -0.686 -10.031 1.00 0.00 H new ATOM 1136 N LYS A 78 -6.293 -2.013 -7.303 1.00 0.00 N ATOM 1137 CA LYS A 78 -5.330 -2.761 -6.446 1.00 0.00 C ATOM 1138 C LYS A 78 -6.072 -3.870 -5.697 1.00 0.00 C ATOM 1139 O LYS A 78 -6.775 -3.622 -4.737 1.00 0.00 O ATOM 1140 CB LYS A 78 -4.691 -1.801 -5.439 1.00 0.00 C ATOM 1141 CG LYS A 78 -4.237 -2.581 -4.202 1.00 0.00 C ATOM 1142 CD LYS A 78 -3.158 -1.785 -3.465 1.00 0.00 C ATOM 1143 CE LYS A 78 -3.719 -0.422 -3.057 1.00 0.00 C ATOM 1144 NZ LYS A 78 -2.855 0.173 -1.998 1.00 0.00 N ATOM 0 H LYS A 78 -6.888 -1.348 -6.809 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.552 -3.202 -7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.840 -1.294 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.406 -1.030 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.085 -2.762 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.848 -3.556 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.826 -2.332 -2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.286 -1.654 -4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.761 0.240 -3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.739 -0.532 -2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.074 1.185 -1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.032 -0.309 -1.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.855 0.059 -2.261 1.00 0.00 H new ATOM 1158 N GLY A 79 -5.923 -5.093 -6.130 1.00 0.00 N ATOM 1159 CA GLY A 79 -6.621 -6.216 -5.445 1.00 0.00 C ATOM 1160 C GLY A 79 -7.704 -6.782 -6.366 1.00 0.00 C ATOM 1161 O GLY A 79 -8.408 -7.709 -6.016 1.00 0.00 O ATOM 0 H GLY A 79 -5.348 -5.362 -6.928 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.907 -6.997 -5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.067 -5.867 -4.514 1.00 0.00 H new ATOM 1165 N LYS A 80 -7.843 -6.232 -7.542 1.00 0.00 N ATOM 1166 CA LYS A 80 -8.880 -6.739 -8.483 1.00 0.00 C ATOM 1167 C LYS A 80 -8.224 -7.652 -9.520 1.00 0.00 C ATOM 1168 O LYS A 80 -7.040 -7.923 -9.464 1.00 0.00 O ATOM 1169 CB LYS A 80 -9.547 -5.560 -9.196 1.00 0.00 C ATOM 1170 CG LYS A 80 -9.397 -4.295 -8.347 1.00 0.00 C ATOM 1171 CD LYS A 80 -10.151 -4.472 -7.029 1.00 0.00 C ATOM 1172 CE LYS A 80 -11.640 -4.672 -7.314 1.00 0.00 C ATOM 1173 NZ LYS A 80 -12.441 -4.145 -6.172 1.00 0.00 N ATOM 0 H LYS A 80 -7.283 -5.454 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.631 -7.299 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.092 -5.409 -10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.602 -5.774 -9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.343 -4.099 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.787 -3.433 -8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.756 -5.330 -6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.006 -3.597 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.917 -4.158 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.853 -5.730 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.454 -4.281 -6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.183 -4.655 -5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.245 -3.131 -6.049 1.00 0.00 H new ATOM 1187 N SER A 81 -8.982 -8.130 -10.468 1.00 0.00 N ATOM 1188 CA SER A 81 -8.399 -9.024 -11.507 1.00 0.00 C ATOM 1189 C SER A 81 -8.317 -8.277 -12.839 1.00 0.00 C ATOM 1190 O SER A 81 -8.794 -7.166 -12.969 1.00 0.00 O ATOM 1191 CB SER A 81 -9.285 -10.261 -11.671 1.00 0.00 C ATOM 1192 OG SER A 81 -8.637 -11.192 -12.526 1.00 0.00 O ATOM 0 H SER A 81 -9.979 -7.940 -10.568 1.00 0.00 H new ATOM 0 HA SER A 81 -7.399 -9.330 -11.201 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.478 -10.716 -10.699 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.251 -9.978 -12.088 1.00 0.00 H new ATOM 0 HG SER A 81 -9.201 -11.986 -12.632 1.00 0.00 H new ATOM 1198 N LEU A 82 -7.715 -8.876 -13.829 1.00 0.00 N ATOM 1199 CA LEU A 82 -7.602 -8.200 -15.152 1.00 0.00 C ATOM 1200 C LEU A 82 -8.994 -8.029 -15.761 1.00 0.00 C ATOM 1201 O LEU A 82 -9.196 -7.235 -16.658 1.00 0.00 O ATOM 1202 CB LEU A 82 -6.739 -9.053 -16.085 1.00 0.00 C ATOM 1203 CG LEU A 82 -5.297 -8.547 -16.053 1.00 0.00 C ATOM 1204 CD1 LEU A 82 -4.395 -9.526 -16.805 1.00 0.00 C ATOM 1205 CD2 LEU A 82 -5.225 -7.171 -16.721 1.00 0.00 C ATOM 0 H LEU A 82 -7.296 -9.805 -13.779 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.142 -7.221 -15.021 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.776 -10.098 -15.777 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.129 -9.007 -17.102 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.963 -8.468 -15.018 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.367 -9.165 -16.782 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.446 -10.506 -16.330 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.728 -9.606 -17.840 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.197 -6.809 -16.699 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.559 -7.251 -17.755 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.867 -6.472 -16.185 1.00 0.00 H new ATOM 1217 N GLU A 83 -9.957 -8.767 -15.280 1.00 0.00 N ATOM 1218 CA GLU A 83 -11.336 -8.645 -15.832 1.00 0.00 C ATOM 1219 C GLU A 83 -11.935 -7.301 -15.414 1.00 0.00 C ATOM 1220 O GLU A 83 -12.742 -6.725 -16.117 1.00 0.00 O ATOM 1221 CB GLU A 83 -12.205 -9.782 -15.291 1.00 0.00 C ATOM 1222 CG GLU A 83 -13.681 -9.403 -15.421 1.00 0.00 C ATOM 1223 CD GLU A 83 -14.549 -10.648 -15.224 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -13.990 -11.698 -14.955 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -15.756 -10.530 -15.347 1.00 0.00 O ATOM 0 H GLU A 83 -9.849 -9.449 -14.529 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.299 -8.703 -16.920 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.005 -10.701 -15.842 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.959 -9.977 -14.247 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.939 -8.646 -14.680 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.870 -8.967 -16.402 1.00 0.00 H new ATOM 1232 N GLU A 84 -11.548 -6.797 -14.274 1.00 0.00 N ATOM 1233 CA GLU A 84 -12.098 -5.491 -13.814 1.00 0.00 C ATOM 1234 C GLU A 84 -11.262 -4.351 -14.400 1.00 0.00 C ATOM 1235 O GLU A 84 -11.783 -3.444 -15.020 1.00 0.00 O ATOM 1236 CB GLU A 84 -12.049 -5.426 -12.286 1.00 0.00 C ATOM 1237 CG GLU A 84 -13.225 -6.212 -11.704 1.00 0.00 C ATOM 1238 CD GLU A 84 -14.534 -5.496 -12.043 1.00 0.00 C ATOM 1239 OE1 GLU A 84 -14.468 -4.445 -12.657 1.00 0.00 O ATOM 1240 OE2 GLU A 84 -15.578 -6.012 -11.683 1.00 0.00 O ATOM 0 H GLU A 84 -10.876 -7.233 -13.642 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.131 -5.394 -14.149 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.107 -5.839 -11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.091 -4.389 -11.954 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.236 -7.224 -12.109 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.117 -6.302 -10.623 1.00 0.00 H new ATOM 1247 N ALA A 85 -9.972 -4.390 -14.212 1.00 0.00 N ATOM 1248 CA ALA A 85 -9.106 -3.309 -14.762 1.00 0.00 C ATOM 1249 C ALA A 85 -9.190 -3.320 -16.289 1.00 0.00 C ATOM 1250 O ALA A 85 -8.862 -2.351 -16.945 1.00 0.00 O ATOM 1251 CB ALA A 85 -7.659 -3.546 -14.328 1.00 0.00 C ATOM 0 H ALA A 85 -9.480 -5.123 -13.702 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.444 -2.343 -14.386 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.025 -2.756 -14.730 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.600 -3.541 -13.240 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.319 -4.511 -14.705 1.00 0.00 H new ATOM 1257 N GLY A 86 -9.630 -4.408 -16.859 1.00 0.00 N ATOM 1258 CA GLY A 86 -9.737 -4.481 -18.344 1.00 0.00 C ATOM 1259 C GLY A 86 -11.205 -4.363 -18.755 1.00 0.00 C ATOM 1260 O GLY A 86 -11.666 -5.044 -19.650 1.00 0.00 O ATOM 0 H GLY A 86 -9.920 -5.250 -16.361 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.155 -3.681 -18.801 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.322 -5.423 -18.703 1.00 0.00 H new ATOM 1264 N ALA A 87 -11.943 -3.505 -18.106 1.00 0.00 N ATOM 1265 CA ALA A 87 -13.383 -3.342 -18.455 1.00 0.00 C ATOM 1266 C ALA A 87 -13.865 -1.970 -17.979 1.00 0.00 C ATOM 1267 O ALA A 87 -14.683 -1.333 -18.612 1.00 0.00 O ATOM 1268 CB ALA A 87 -14.202 -4.436 -17.767 1.00 0.00 C ATOM 0 H ALA A 87 -11.611 -2.909 -17.348 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.509 -3.420 -19.535 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -15.255 -4.317 -18.022 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.856 -5.414 -18.101 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.079 -4.357 -16.687 1.00 0.00 H new ATOM 1274 N ILE A 88 -13.360 -1.511 -16.867 1.00 0.00 N ATOM 1275 CA ILE A 88 -13.783 -0.182 -16.344 1.00 0.00 C ATOM 1276 C ILE A 88 -13.811 0.833 -17.486 1.00 0.00 C ATOM 1277 O ILE A 88 -13.343 0.572 -18.577 1.00 0.00 O ATOM 1278 CB ILE A 88 -12.789 0.281 -15.278 1.00 0.00 C ATOM 1279 CG1 ILE A 88 -11.399 -0.271 -15.607 1.00 0.00 C ATOM 1280 CG2 ILE A 88 -13.230 -0.236 -13.907 1.00 0.00 C ATOM 1281 CD1 ILE A 88 -10.334 0.578 -14.915 1.00 0.00 C ATOM 0 H ILE A 88 -12.671 -2.001 -16.297 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.779 -0.263 -15.908 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.756 1.370 -15.261 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.321 -1.308 -15.280 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.240 -0.264 -16.685 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.521 0.095 -13.148 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.220 0.154 -13.672 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.263 -1.325 -13.922 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.345 0.184 -15.150 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.406 1.608 -15.264 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.489 0.549 -13.837 1.00 0.00 H new ATOM 1293 N LYS A 89 -14.353 1.994 -17.242 1.00 0.00 N ATOM 1294 CA LYS A 89 -14.410 3.032 -18.309 1.00 0.00 C ATOM 1295 C LYS A 89 -13.943 4.370 -17.734 1.00 0.00 C ATOM 1296 O LYS A 89 -13.436 4.438 -16.632 1.00 0.00 O ATOM 1297 CB LYS A 89 -15.848 3.164 -18.817 1.00 0.00 C ATOM 1298 CG LYS A 89 -16.405 1.776 -19.139 1.00 0.00 C ATOM 1299 CD LYS A 89 -17.674 1.916 -19.980 1.00 0.00 C ATOM 1300 CE LYS A 89 -17.895 0.636 -20.788 1.00 0.00 C ATOM 1301 NZ LYS A 89 -19.270 0.642 -21.365 1.00 0.00 N ATOM 0 H LYS A 89 -14.760 2.269 -16.348 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.762 2.744 -19.137 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.468 3.650 -18.064 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.874 3.793 -19.707 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.661 1.191 -19.679 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.625 1.238 -18.217 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.532 2.104 -19.334 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.586 2.771 -20.650 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.155 0.564 -21.585 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.761 -0.237 -20.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.420 -0.228 -21.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.969 0.691 -20.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.382 1.468 -21.987 1.00 0.00 H new ATOM 1315 N ASN A 90 -14.107 5.435 -18.470 1.00 0.00 N ATOM 1316 CA ASN A 90 -13.669 6.763 -17.956 1.00 0.00 C ATOM 1317 C ASN A 90 -14.877 7.516 -17.394 1.00 0.00 C ATOM 1318 O ASN A 90 -14.757 8.306 -16.479 1.00 0.00 O ATOM 1319 CB ASN A 90 -13.046 7.572 -19.096 1.00 0.00 C ATOM 1320 CG ASN A 90 -14.004 7.600 -20.288 1.00 0.00 C ATOM 1321 OD1 ASN A 90 -14.563 6.587 -20.658 1.00 0.00 O ATOM 1322 ND2 ASN A 90 -14.218 8.728 -20.910 1.00 0.00 N ATOM 0 H ASN A 90 -14.524 5.443 -19.401 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.931 6.622 -17.167 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -12.835 8.588 -18.762 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -12.094 7.130 -19.391 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -14.855 8.758 -21.706 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.749 9.579 -20.599 1.00 0.00 H new ATOM 1329 N SER A 91 -16.040 7.277 -17.935 1.00 0.00 N ATOM 1330 CA SER A 91 -17.253 7.980 -17.428 1.00 0.00 C ATOM 1331 C SER A 91 -17.536 7.538 -15.991 1.00 0.00 C ATOM 1332 O SER A 91 -17.891 8.335 -15.144 1.00 0.00 O ATOM 1333 CB SER A 91 -18.451 7.633 -18.312 1.00 0.00 C ATOM 1334 OG SER A 91 -17.987 7.078 -19.535 1.00 0.00 O ATOM 0 H SER A 91 -16.203 6.627 -18.704 1.00 0.00 H new ATOM 0 HA SER A 91 -17.084 9.057 -17.451 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.101 6.923 -17.801 1.00 0.00 H new ATOM 0 HB3 SER A 91 -19.045 8.526 -18.507 1.00 0.00 H new ATOM 0 HG SER A 91 -18.753 6.853 -20.103 1.00 0.00 H new ATOM 1340 N GLN A 92 -17.383 6.273 -15.710 1.00 0.00 N ATOM 1341 CA GLN A 92 -17.646 5.779 -14.328 1.00 0.00 C ATOM 1342 C GLN A 92 -16.741 6.516 -13.337 1.00 0.00 C ATOM 1343 O GLN A 92 -17.193 7.332 -12.556 1.00 0.00 O ATOM 1344 CB GLN A 92 -17.359 4.277 -14.263 1.00 0.00 C ATOM 1345 CG GLN A 92 -18.250 3.541 -15.266 1.00 0.00 C ATOM 1346 CD GLN A 92 -19.599 3.226 -14.616 1.00 0.00 C ATOM 1347 OE1 GLN A 92 -19.899 2.082 -14.336 1.00 0.00 O ATOM 1348 NE2 GLN A 92 -20.430 4.200 -14.362 1.00 0.00 N ATOM 0 H GLN A 92 -17.087 5.560 -16.377 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.689 5.963 -14.069 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -16.309 4.087 -14.486 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -17.543 3.904 -13.255 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -18.397 4.154 -16.155 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -17.767 2.619 -15.590 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -20.178 5.160 -14.597 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -21.332 4.001 -13.928 1.00 0.00 H new ATOM 1357 N ILE A 93 -15.467 6.236 -13.360 1.00 0.00 N ATOM 1358 CA ILE A 93 -14.538 6.922 -12.418 1.00 0.00 C ATOM 1359 C ILE A 93 -14.863 8.417 -12.381 1.00 0.00 C ATOM 1360 O ILE A 93 -14.744 9.063 -11.360 1.00 0.00 O ATOM 1361 CB ILE A 93 -13.095 6.724 -12.884 1.00 0.00 C ATOM 1362 CG1 ILE A 93 -12.845 5.239 -13.151 1.00 0.00 C ATOM 1363 CG2 ILE A 93 -12.135 7.213 -11.799 1.00 0.00 C ATOM 1364 CD1 ILE A 93 -11.461 5.058 -13.779 1.00 0.00 C ATOM 0 H ILE A 93 -15.030 5.563 -13.989 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.656 6.499 -11.420 1.00 0.00 H new ATOM 0 HB ILE A 93 -12.929 7.292 -13.799 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -12.910 4.675 -12.220 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.612 4.844 -13.817 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -11.107 7.071 -12.132 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -12.312 8.271 -11.607 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -12.301 6.645 -10.883 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -11.283 4.000 -13.969 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -11.413 5.608 -14.719 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -10.700 5.437 -13.097 1.00 0.00 H new ATOM 1376 N ALA A 94 -15.274 8.970 -13.489 1.00 0.00 N ATOM 1377 CA ALA A 94 -15.607 10.421 -13.517 1.00 0.00 C ATOM 1378 C ALA A 94 -16.827 10.680 -12.632 1.00 0.00 C ATOM 1379 O ALA A 94 -16.961 11.729 -12.034 1.00 0.00 O ATOM 1380 CB ALA A 94 -15.920 10.844 -14.954 1.00 0.00 C ATOM 0 H ALA A 94 -15.393 8.480 -14.375 1.00 0.00 H new ATOM 0 HA ALA A 94 -14.759 10.997 -13.145 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -16.164 11.906 -14.976 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -15.051 10.658 -15.585 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.768 10.269 -15.326 1.00 0.00 H new ATOM 1386 N GLU A 95 -17.719 9.732 -12.545 1.00 0.00 N ATOM 1387 CA GLU A 95 -18.930 9.924 -11.699 1.00 0.00 C ATOM 1388 C GLU A 95 -18.570 9.653 -10.236 1.00 0.00 C ATOM 1389 O GLU A 95 -19.300 10.006 -9.331 1.00 0.00 O ATOM 1390 CB GLU A 95 -20.022 8.947 -12.147 1.00 0.00 C ATOM 1391 CG GLU A 95 -21.394 9.429 -11.665 1.00 0.00 C ATOM 1392 CD GLU A 95 -22.387 9.379 -12.828 1.00 0.00 C ATOM 1393 OE1 GLU A 95 -22.500 8.329 -13.439 1.00 0.00 O ATOM 1394 OE2 GLU A 95 -23.017 10.390 -13.089 1.00 0.00 O ATOM 0 H GLU A 95 -17.661 8.833 -13.023 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.293 10.946 -11.802 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.020 8.861 -13.234 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -19.817 7.953 -11.748 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -21.745 8.802 -10.845 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.320 10.446 -11.279 1.00 0.00 H new ATOM 1401 N GLU A 96 -17.449 9.027 -10.000 1.00 0.00 N ATOM 1402 CA GLU A 96 -17.039 8.730 -8.598 1.00 0.00 C ATOM 1403 C GLU A 96 -16.397 9.973 -7.977 1.00 0.00 C ATOM 1404 O GLU A 96 -16.774 10.407 -6.906 1.00 0.00 O ATOM 1405 CB GLU A 96 -16.030 7.580 -8.595 1.00 0.00 C ATOM 1406 CG GLU A 96 -16.307 6.660 -7.403 1.00 0.00 C ATOM 1407 CD GLU A 96 -17.697 6.037 -7.551 1.00 0.00 C ATOM 1408 OE1 GLU A 96 -18.055 5.693 -8.666 1.00 0.00 O ATOM 1409 OE2 GLU A 96 -18.380 5.914 -6.547 1.00 0.00 O ATOM 0 H GLU A 96 -16.799 8.708 -10.718 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.916 8.447 -8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.101 7.018 -9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.015 7.973 -8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.550 5.878 -7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -16.247 7.225 -6.473 1.00 0.00 H new ATOM 1416 N LEU A 97 -15.428 10.547 -8.637 1.00 0.00 N ATOM 1417 CA LEU A 97 -14.763 11.758 -8.080 1.00 0.00 C ATOM 1418 C LEU A 97 -15.640 12.986 -8.328 1.00 0.00 C ATOM 1419 O LEU A 97 -15.538 13.982 -7.640 1.00 0.00 O ATOM 1420 CB LEU A 97 -13.405 11.954 -8.761 1.00 0.00 C ATOM 1421 CG LEU A 97 -12.328 12.182 -7.700 1.00 0.00 C ATOM 1422 CD1 LEU A 97 -10.944 12.065 -8.341 1.00 0.00 C ATOM 1423 CD2 LEU A 97 -12.492 13.580 -7.098 1.00 0.00 C ATOM 0 H LEU A 97 -15.069 10.229 -9.537 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.617 11.629 -7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.158 11.079 -9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.447 12.805 -9.440 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.430 11.432 -6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.177 12.228 -7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.825 11.070 -8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.842 12.814 -9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -11.724 13.743 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -12.392 14.329 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.477 13.665 -6.639 1.00 0.00 H new ATOM 1435 N GLU A 98 -16.502 12.925 -9.306 1.00 0.00 N ATOM 1436 CA GLU A 98 -17.384 14.090 -9.593 1.00 0.00 C ATOM 1437 C GLU A 98 -16.561 15.204 -10.245 1.00 0.00 C ATOM 1438 O GLU A 98 -16.782 16.374 -10.006 1.00 0.00 O ATOM 1439 CB GLU A 98 -17.990 14.603 -8.284 1.00 0.00 C ATOM 1440 CG GLU A 98 -19.509 14.714 -8.431 1.00 0.00 C ATOM 1441 CD GLU A 98 -20.105 15.306 -7.151 1.00 0.00 C ATOM 1442 OE1 GLU A 98 -19.666 16.373 -6.756 1.00 0.00 O ATOM 1443 OE2 GLU A 98 -20.988 14.680 -6.589 1.00 0.00 O ATOM 0 H GLU A 98 -16.633 12.119 -9.918 1.00 0.00 H new ATOM 0 HA GLU A 98 -18.182 13.785 -10.269 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -17.742 13.926 -7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -17.567 15.575 -8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.757 15.344 -9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -19.939 13.731 -8.624 1.00 0.00 H new ATOM 1450 N LEU A 99 -15.612 14.849 -11.068 1.00 0.00 N ATOM 1451 CA LEU A 99 -14.776 15.888 -11.733 1.00 0.00 C ATOM 1452 C LEU A 99 -15.591 16.569 -12.836 1.00 0.00 C ATOM 1453 O LEU A 99 -16.413 15.949 -13.481 1.00 0.00 O ATOM 1454 CB LEU A 99 -13.539 15.228 -12.348 1.00 0.00 C ATOM 1455 CG LEU A 99 -13.979 14.169 -13.360 1.00 0.00 C ATOM 1456 CD1 LEU A 99 -13.930 14.759 -14.771 1.00 0.00 C ATOM 1457 CD2 LEU A 99 -13.038 12.966 -13.279 1.00 0.00 C ATOM 0 H LEU A 99 -15.380 13.885 -11.308 1.00 0.00 H new ATOM 0 HA LEU A 99 -14.466 16.631 -10.998 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -12.918 15.978 -12.837 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -12.931 14.771 -11.567 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.997 13.852 -13.134 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -14.244 14.004 -15.492 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.599 15.617 -14.830 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.912 15.076 -14.998 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.351 12.210 -14.000 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.020 13.284 -13.505 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -13.072 12.545 -12.274 1.00 0.00 H new ATOM 1469 N PRO A 100 -15.363 17.840 -13.049 1.00 0.00 N ATOM 1470 CA PRO A 100 -16.086 18.624 -14.093 1.00 0.00 C ATOM 1471 C PRO A 100 -15.618 18.274 -15.510 1.00 0.00 C ATOM 1472 O PRO A 100 -14.513 17.809 -15.710 1.00 0.00 O ATOM 1473 CB PRO A 100 -15.738 20.076 -13.761 1.00 0.00 C ATOM 1474 CG PRO A 100 -14.433 20.016 -13.039 1.00 0.00 C ATOM 1475 CD PRO A 100 -14.392 18.668 -12.318 1.00 0.00 C ATOM 0 HA PRO A 100 -17.156 18.418 -14.085 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -15.659 20.678 -14.666 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.509 20.533 -13.141 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -13.600 20.108 -13.736 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -14.346 20.838 -12.328 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -13.394 18.231 -12.347 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -14.665 18.769 -11.268 1.00 0.00 H new ATOM 1483 N PRO A 101 -16.458 18.498 -16.485 1.00 0.00 N ATOM 1484 CA PRO A 101 -16.137 18.207 -17.913 1.00 0.00 C ATOM 1485 C PRO A 101 -15.182 19.240 -18.518 1.00 0.00 C ATOM 1486 O PRO A 101 -14.785 19.137 -19.662 1.00 0.00 O ATOM 1487 CB PRO A 101 -17.497 18.270 -18.606 1.00 0.00 C ATOM 1488 CG PRO A 101 -18.324 19.189 -17.767 1.00 0.00 C ATOM 1489 CD PRO A 101 -17.812 19.054 -16.331 1.00 0.00 C ATOM 0 HA PRO A 101 -15.630 17.249 -18.027 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -17.402 18.646 -19.625 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -17.951 17.281 -18.672 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -18.233 20.218 -18.115 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -19.380 18.924 -17.828 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -17.792 20.018 -15.822 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -18.449 18.395 -15.741 1.00 0.00 H new ATOM 1497 N VAL A 102 -14.812 20.238 -17.762 1.00 0.00 N ATOM 1498 CA VAL A 102 -13.887 21.278 -18.298 1.00 0.00 C ATOM 1499 C VAL A 102 -12.559 20.630 -18.696 1.00 0.00 C ATOM 1500 O VAL A 102 -11.666 21.281 -19.198 1.00 0.00 O ATOM 1501 CB VAL A 102 -13.635 22.338 -17.225 1.00 0.00 C ATOM 1502 CG1 VAL A 102 -14.970 22.916 -16.754 1.00 0.00 C ATOM 1503 CG2 VAL A 102 -12.910 21.699 -16.038 1.00 0.00 C ATOM 0 H VAL A 102 -15.110 20.378 -16.797 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.338 21.745 -19.174 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.020 23.136 -17.641 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -14.790 23.671 -15.989 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.488 23.371 -17.598 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.585 22.118 -16.338 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.730 22.454 -15.273 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.525 20.901 -15.623 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -11.958 21.287 -16.372 1.00 0.00 H new ATOM 1513 N LYS A 103 -12.422 19.351 -18.477 1.00 0.00 N ATOM 1514 CA LYS A 103 -11.152 18.664 -18.844 1.00 0.00 C ATOM 1515 C LYS A 103 -11.367 17.150 -18.814 1.00 0.00 C ATOM 1516 O LYS A 103 -10.740 16.437 -18.055 1.00 0.00 O ATOM 1517 CB LYS A 103 -10.057 19.047 -17.844 1.00 0.00 C ATOM 1518 CG LYS A 103 -8.685 18.866 -18.496 1.00 0.00 C ATOM 1519 CD LYS A 103 -7.594 18.943 -17.424 1.00 0.00 C ATOM 1520 CE LYS A 103 -6.231 18.669 -18.061 1.00 0.00 C ATOM 1521 NZ LYS A 103 -5.173 19.385 -17.296 1.00 0.00 N ATOM 0 H LYS A 103 -13.135 18.752 -18.060 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.849 18.968 -19.846 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -10.186 20.081 -17.525 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.132 18.426 -16.951 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.638 17.905 -19.009 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.524 19.637 -19.249 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.597 19.928 -16.957 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.792 18.216 -16.636 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.029 17.598 -18.067 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.230 18.999 -19.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.321 18.791 -17.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.943 20.279 -17.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.515 19.585 -16.335 1.00 0.00 H new ATOM 1535 N VAL A 104 -12.253 16.653 -19.633 1.00 0.00 N ATOM 1536 CA VAL A 104 -12.515 15.187 -19.655 1.00 0.00 C ATOM 1537 C VAL A 104 -11.234 14.440 -20.029 1.00 0.00 C ATOM 1538 O VAL A 104 -11.049 13.292 -19.679 1.00 0.00 O ATOM 1539 CB VAL A 104 -13.602 14.883 -20.686 1.00 0.00 C ATOM 1540 CG1 VAL A 104 -14.029 13.418 -20.562 1.00 0.00 C ATOM 1541 CG2 VAL A 104 -14.808 15.788 -20.434 1.00 0.00 C ATOM 0 H VAL A 104 -12.808 17.201 -20.290 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.845 14.863 -18.668 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.213 15.064 -21.688 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.804 13.201 -21.297 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.169 12.772 -20.740 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.418 13.236 -19.560 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.584 15.573 -21.168 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.196 15.606 -19.432 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.505 16.831 -20.522 1.00 0.00 H new ATOM 1551 N HIS A 105 -10.346 15.081 -20.738 1.00 0.00 N ATOM 1552 CA HIS A 105 -9.080 14.405 -21.133 1.00 0.00 C ATOM 1553 C HIS A 105 -8.453 13.747 -19.902 1.00 0.00 C ATOM 1554 O HIS A 105 -7.608 12.880 -20.011 1.00 0.00 O ATOM 1555 CB HIS A 105 -8.110 15.437 -21.712 1.00 0.00 C ATOM 1556 CG HIS A 105 -7.556 14.931 -23.015 1.00 0.00 C ATOM 1557 ND1 HIS A 105 -6.894 13.716 -23.117 1.00 0.00 N ATOM 1558 CD2 HIS A 105 -7.557 15.465 -24.281 1.00 0.00 C ATOM 1559 CE1 HIS A 105 -6.528 13.558 -24.402 1.00 0.00 C ATOM 1560 NE2 HIS A 105 -6.907 14.595 -25.151 1.00 0.00 N ATOM 0 H HIS A 105 -10.443 16.044 -21.061 1.00 0.00 H new ATOM 0 HA HIS A 105 -9.290 13.645 -21.885 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -8.623 16.386 -21.867 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -7.299 15.624 -21.008 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -7.994 16.413 -24.558 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -5.994 12.699 -24.780 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -6.753 14.723 -26.151 1.00 0.00 H new ATOM 1568 N CYS A 106 -8.861 14.152 -18.731 1.00 0.00 N ATOM 1569 CA CYS A 106 -8.292 13.551 -17.493 1.00 0.00 C ATOM 1570 C CYS A 106 -8.860 12.143 -17.302 1.00 0.00 C ATOM 1571 O CYS A 106 -8.140 11.165 -17.319 1.00 0.00 O ATOM 1572 CB CYS A 106 -8.663 14.419 -16.289 1.00 0.00 C ATOM 1573 SG CYS A 106 -8.674 13.403 -14.792 1.00 0.00 S ATOM 0 H CYS A 106 -9.565 14.874 -18.578 1.00 0.00 H new ATOM 0 HA CYS A 106 -7.207 13.496 -17.581 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -7.949 15.235 -16.182 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -9.643 14.871 -16.442 1.00 0.00 H new ATOM 0 HG CYS A 106 -8.276 12.200 -15.081 1.00 0.00 H new ATOM 1579 N SER A 107 -10.149 12.031 -17.121 1.00 0.00 N ATOM 1580 CA SER A 107 -10.760 10.685 -16.933 1.00 0.00 C ATOM 1581 C SER A 107 -10.422 9.804 -18.135 1.00 0.00 C ATOM 1582 O SER A 107 -10.194 8.617 -18.005 1.00 0.00 O ATOM 1583 CB SER A 107 -12.279 10.824 -16.813 1.00 0.00 C ATOM 1584 OG SER A 107 -12.816 9.634 -16.252 1.00 0.00 O ATOM 0 H SER A 107 -10.804 12.813 -17.095 1.00 0.00 H new ATOM 0 HA SER A 107 -10.366 10.230 -16.024 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.529 11.680 -16.187 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.718 11.008 -17.794 1.00 0.00 H new ATOM 0 HG SER A 107 -13.686 9.444 -16.660 1.00 0.00 H new ATOM 1590 N ILE A 108 -10.385 10.375 -19.308 1.00 0.00 N ATOM 1591 CA ILE A 108 -10.059 9.572 -20.520 1.00 0.00 C ATOM 1592 C ILE A 108 -8.651 8.989 -20.376 1.00 0.00 C ATOM 1593 O ILE A 108 -8.469 7.790 -20.311 1.00 0.00 O ATOM 1594 CB ILE A 108 -10.121 10.475 -21.756 1.00 0.00 C ATOM 1595 CG1 ILE A 108 -11.548 10.477 -22.311 1.00 0.00 C ATOM 1596 CG2 ILE A 108 -9.162 9.951 -22.827 1.00 0.00 C ATOM 1597 CD1 ILE A 108 -11.663 11.527 -23.419 1.00 0.00 C ATOM 0 H ILE A 108 -10.567 11.364 -19.479 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.777 8.759 -20.629 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.833 11.489 -21.478 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.799 9.491 -22.702 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.259 10.694 -21.514 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.209 10.596 -23.704 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.145 9.946 -22.434 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.448 8.937 -23.106 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -12.679 11.529 -23.815 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.430 12.511 -23.013 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.962 11.289 -24.220 1.00 0.00 H new ATOM 1609 N LEU A 109 -7.655 9.830 -20.328 1.00 0.00 N ATOM 1610 CA LEU A 109 -6.259 9.326 -20.189 1.00 0.00 C ATOM 1611 C LEU A 109 -6.222 8.196 -19.157 1.00 0.00 C ATOM 1612 O LEU A 109 -5.549 7.201 -19.339 1.00 0.00 O ATOM 1613 CB LEU A 109 -5.351 10.468 -19.727 1.00 0.00 C ATOM 1614 CG LEU A 109 -4.486 10.937 -20.895 1.00 0.00 C ATOM 1615 CD1 LEU A 109 -5.355 11.685 -21.908 1.00 0.00 C ATOM 1616 CD2 LEU A 109 -3.390 11.871 -20.375 1.00 0.00 C ATOM 0 H LEU A 109 -7.747 10.845 -20.379 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.911 8.949 -21.151 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.953 11.296 -19.351 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.719 10.134 -18.904 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.029 10.073 -21.378 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.737 12.019 -22.741 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.135 11.020 -22.279 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.813 12.549 -21.427 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.772 12.206 -21.208 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.847 12.735 -19.892 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.769 11.338 -19.654 1.00 0.00 H new ATOM 1628 N ALA A 110 -6.938 8.343 -18.076 1.00 0.00 N ATOM 1629 CA ALA A 110 -6.940 7.278 -17.032 1.00 0.00 C ATOM 1630 C ALA A 110 -7.330 5.938 -17.663 1.00 0.00 C ATOM 1631 O ALA A 110 -6.556 5.002 -17.682 1.00 0.00 O ATOM 1632 CB ALA A 110 -7.947 7.642 -15.939 1.00 0.00 C ATOM 0 H ALA A 110 -7.522 9.154 -17.870 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.944 7.194 -16.597 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.951 6.865 -15.174 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.666 8.594 -15.488 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.942 7.727 -16.375 1.00 0.00 H new ATOM 1638 N GLU A 111 -8.526 5.839 -18.174 1.00 0.00 N ATOM 1639 CA GLU A 111 -8.966 4.558 -18.800 1.00 0.00 C ATOM 1640 C GLU A 111 -7.940 4.120 -19.848 1.00 0.00 C ATOM 1641 O GLU A 111 -7.258 3.129 -19.686 1.00 0.00 O ATOM 1642 CB GLU A 111 -10.327 4.761 -19.469 1.00 0.00 C ATOM 1643 CG GLU A 111 -10.704 3.504 -20.258 1.00 0.00 C ATOM 1644 CD GLU A 111 -10.751 3.831 -21.753 1.00 0.00 C ATOM 1645 OE1 GLU A 111 -11.468 4.749 -22.115 1.00 0.00 O ATOM 1646 OE2 GLU A 111 -10.069 3.159 -22.508 1.00 0.00 O ATOM 0 H GLU A 111 -9.218 6.588 -18.186 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.049 3.788 -18.033 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.086 4.971 -18.716 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.291 5.623 -20.135 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.977 2.713 -20.071 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.673 3.131 -19.926 1.00 0.00 H new ATOM 1653 N ASP A 112 -7.828 4.851 -20.923 1.00 0.00 N ATOM 1654 CA ASP A 112 -6.849 4.476 -21.984 1.00 0.00 C ATOM 1655 C ASP A 112 -5.575 3.925 -21.337 1.00 0.00 C ATOM 1656 O ASP A 112 -4.958 3.009 -21.842 1.00 0.00 O ATOM 1657 CB ASP A 112 -6.504 5.712 -22.816 1.00 0.00 C ATOM 1658 CG ASP A 112 -5.790 5.282 -24.099 1.00 0.00 C ATOM 1659 OD1 ASP A 112 -4.614 4.969 -24.022 1.00 0.00 O ATOM 1660 OD2 ASP A 112 -6.432 5.274 -25.137 1.00 0.00 O ATOM 0 H ASP A 112 -8.372 5.692 -21.113 1.00 0.00 H new ATOM 0 HA ASP A 112 -7.287 3.713 -22.627 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.412 6.264 -23.060 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.867 6.384 -22.241 1.00 0.00 H new ATOM 1665 N ALA A 113 -5.174 4.481 -20.226 1.00 0.00 N ATOM 1666 CA ALA A 113 -3.938 3.992 -19.553 1.00 0.00 C ATOM 1667 C ALA A 113 -4.106 2.520 -19.165 1.00 0.00 C ATOM 1668 O ALA A 113 -3.446 1.650 -19.697 1.00 0.00 O ATOM 1669 CB ALA A 113 -3.678 4.822 -18.295 1.00 0.00 C ATOM 0 H ALA A 113 -5.649 5.252 -19.756 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.095 4.091 -20.237 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.774 4.464 -17.803 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.551 5.869 -18.570 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.524 4.726 -17.614 1.00 0.00 H new ATOM 1675 N ILE A 114 -4.983 2.235 -18.240 1.00 0.00 N ATOM 1676 CA ILE A 114 -5.186 0.820 -17.819 1.00 0.00 C ATOM 1677 C ILE A 114 -5.168 -0.089 -19.053 1.00 0.00 C ATOM 1678 O ILE A 114 -4.619 -1.173 -19.030 1.00 0.00 O ATOM 1679 CB ILE A 114 -6.530 0.692 -17.090 1.00 0.00 C ATOM 1680 CG1 ILE A 114 -6.397 -0.334 -15.962 1.00 0.00 C ATOM 1681 CG2 ILE A 114 -7.621 0.238 -18.064 1.00 0.00 C ATOM 1682 CD1 ILE A 114 -5.540 0.251 -14.837 1.00 0.00 C ATOM 0 H ILE A 114 -5.566 2.920 -17.759 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.384 0.519 -17.145 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.805 1.663 -16.679 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.383 -0.601 -15.581 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.943 -1.250 -16.341 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.569 0.151 -17.533 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.720 0.969 -18.866 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.352 -0.730 -18.486 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -5.446 -0.480 -14.034 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.551 0.496 -15.223 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -6.013 1.154 -14.452 1.00 0.00 H new ATOM 1694 N LYS A 115 -5.764 0.345 -20.128 1.00 0.00 N ATOM 1695 CA LYS A 115 -5.779 -0.491 -21.361 1.00 0.00 C ATOM 1696 C LYS A 115 -4.341 -0.778 -21.798 1.00 0.00 C ATOM 1697 O LYS A 115 -3.946 -1.916 -21.960 1.00 0.00 O ATOM 1698 CB LYS A 115 -6.514 0.258 -22.477 1.00 0.00 C ATOM 1699 CG LYS A 115 -7.709 -0.571 -22.952 1.00 0.00 C ATOM 1700 CD LYS A 115 -7.209 -1.791 -23.728 1.00 0.00 C ATOM 1701 CE LYS A 115 -8.275 -2.889 -23.696 1.00 0.00 C ATOM 1702 NZ LYS A 115 -7.950 -3.928 -24.713 1.00 0.00 N ATOM 0 H LYS A 115 -6.242 1.243 -20.206 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.291 -1.431 -21.158 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.853 1.229 -22.115 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.836 0.447 -23.309 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.306 -0.890 -22.098 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -8.357 0.035 -23.585 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.988 -1.514 -24.759 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.281 -2.158 -23.291 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.320 -3.338 -22.704 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.258 -2.462 -23.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.674 -4.674 -24.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.928 -3.494 -25.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.020 -4.342 -24.501 1.00 0.00 H new ATOM 1716 N ALA A 116 -3.555 0.246 -21.992 1.00 0.00 N ATOM 1717 CA ALA A 116 -2.144 0.033 -22.419 1.00 0.00 C ATOM 1718 C ALA A 116 -1.479 -0.997 -21.505 1.00 0.00 C ATOM 1719 O ALA A 116 -0.973 -2.006 -21.955 1.00 0.00 O ATOM 1720 CB ALA A 116 -1.381 1.357 -22.333 1.00 0.00 C ATOM 0 H ALA A 116 -3.830 1.221 -21.873 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.129 -0.332 -23.446 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.348 1.203 -22.645 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.852 2.091 -22.987 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.399 1.721 -21.306 1.00 0.00 H new ATOM 1726 N ALA A 117 -1.472 -0.750 -20.224 1.00 0.00 N ATOM 1727 CA ALA A 117 -0.836 -1.713 -19.282 1.00 0.00 C ATOM 1728 C ALA A 117 -1.290 -3.135 -19.618 1.00 0.00 C ATOM 1729 O ALA A 117 -0.542 -4.083 -19.487 1.00 0.00 O ATOM 1730 CB ALA A 117 -1.247 -1.370 -17.848 1.00 0.00 C ATOM 0 H ALA A 117 -1.880 0.078 -19.789 1.00 0.00 H new ATOM 0 HA ALA A 117 0.248 -1.649 -19.375 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.782 -2.074 -17.158 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.921 -0.358 -17.608 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.331 -1.433 -17.755 1.00 0.00 H new ATOM 1736 N ILE A 118 -2.513 -3.292 -20.047 1.00 0.00 N ATOM 1737 CA ILE A 118 -3.013 -4.654 -20.387 1.00 0.00 C ATOM 1738 C ILE A 118 -2.427 -5.098 -21.730 1.00 0.00 C ATOM 1739 O ILE A 118 -1.750 -6.103 -21.821 1.00 0.00 O ATOM 1740 CB ILE A 118 -4.539 -4.622 -20.488 1.00 0.00 C ATOM 1741 CG1 ILE A 118 -5.142 -4.473 -19.089 1.00 0.00 C ATOM 1742 CG2 ILE A 118 -5.036 -5.923 -21.120 1.00 0.00 C ATOM 1743 CD1 ILE A 118 -6.614 -4.074 -19.207 1.00 0.00 C ATOM 0 H ILE A 118 -3.186 -2.537 -20.176 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.709 -5.355 -19.610 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.843 -3.777 -21.106 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.051 -5.411 -18.541 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.594 -3.719 -18.524 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.123 -5.900 -21.192 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.608 -6.030 -22.117 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.731 -6.767 -20.502 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.043 -3.968 -18.211 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.692 -3.126 -19.739 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.157 -4.844 -19.756 1.00 0.00 H new ATOM 1755 N ALA A 119 -2.688 -4.361 -22.773 1.00 0.00 N ATOM 1756 CA ALA A 119 -2.157 -4.740 -24.114 1.00 0.00 C ATOM 1757 C ALA A 119 -0.750 -5.330 -23.975 1.00 0.00 C ATOM 1758 O ALA A 119 -0.463 -6.394 -24.485 1.00 0.00 O ATOM 1759 CB ALA A 119 -2.102 -3.499 -25.007 1.00 0.00 C ATOM 0 H ALA A 119 -3.248 -3.509 -22.755 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.814 -5.487 -24.560 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.714 -3.774 -25.988 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.104 -3.085 -25.116 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.448 -2.753 -24.554 1.00 0.00 H new ATOM 1765 N ASP A 120 0.131 -4.647 -23.297 1.00 0.00 N ATOM 1766 CA ASP A 120 1.519 -5.173 -23.140 1.00 0.00 C ATOM 1767 C ASP A 120 1.502 -6.415 -22.246 1.00 0.00 C ATOM 1768 O ASP A 120 1.932 -7.480 -22.642 1.00 0.00 O ATOM 1769 CB ASP A 120 2.405 -4.100 -22.504 1.00 0.00 C ATOM 1770 CG ASP A 120 3.873 -4.403 -22.809 1.00 0.00 C ATOM 1771 OD1 ASP A 120 4.121 -5.140 -23.749 1.00 0.00 O ATOM 1772 OD2 ASP A 120 4.723 -3.894 -22.098 1.00 0.00 O ATOM 0 H ASP A 120 -0.048 -3.750 -22.846 1.00 0.00 H new ATOM 0 HA ASP A 120 1.915 -5.438 -24.120 1.00 0.00 H new ATOM 0 HB2 ASP A 120 2.138 -3.117 -22.891 1.00 0.00 H new ATOM 0 HB3 ASP A 120 2.245 -4.073 -21.426 1.00 0.00 H new ATOM 1777 N TYR A 121 1.014 -6.284 -21.042 1.00 0.00 N ATOM 1778 CA TYR A 121 0.971 -7.453 -20.117 1.00 0.00 C ATOM 1779 C TYR A 121 0.741 -8.738 -20.919 1.00 0.00 C ATOM 1780 O TYR A 121 1.194 -9.801 -20.546 1.00 0.00 O ATOM 1781 CB TYR A 121 -0.167 -7.261 -19.111 1.00 0.00 C ATOM 1782 CG TYR A 121 -0.678 -8.607 -18.653 1.00 0.00 C ATOM 1783 CD1 TYR A 121 -1.681 -9.258 -19.381 1.00 0.00 C ATOM 1784 CD2 TYR A 121 -0.151 -9.202 -17.502 1.00 0.00 C ATOM 1785 CE1 TYR A 121 -2.156 -10.504 -18.958 1.00 0.00 C ATOM 1786 CE2 TYR A 121 -0.625 -10.449 -17.078 1.00 0.00 C ATOM 1787 CZ TYR A 121 -1.629 -11.100 -17.806 1.00 0.00 C ATOM 1788 OH TYR A 121 -2.097 -12.329 -17.388 1.00 0.00 O ATOM 0 H TYR A 121 0.642 -5.415 -20.658 1.00 0.00 H new ATOM 0 HA TYR A 121 1.918 -7.530 -19.584 1.00 0.00 H new ATOM 0 HB2 TYR A 121 0.185 -6.685 -18.255 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.976 -6.691 -19.568 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -2.088 -8.798 -20.269 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.622 -8.699 -16.940 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -2.929 -11.006 -19.520 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -0.217 -10.909 -16.190 1.00 0.00 H new ATOM 0 HH TYR A 121 -1.624 -12.599 -16.573 1.00 0.00 H new ATOM 1798 N LYS A 122 0.039 -8.648 -22.015 1.00 0.00 N ATOM 1799 CA LYS A 122 -0.217 -9.866 -22.834 1.00 0.00 C ATOM 1800 C LYS A 122 0.800 -9.940 -23.975 1.00 0.00 C ATOM 1801 O LYS A 122 1.223 -11.007 -24.374 1.00 0.00 O ATOM 1802 CB LYS A 122 -1.632 -9.800 -23.412 1.00 0.00 C ATOM 1803 CG LYS A 122 -1.922 -11.079 -24.203 1.00 0.00 C ATOM 1804 CD LYS A 122 -3.019 -11.881 -23.498 1.00 0.00 C ATOM 1805 CE LYS A 122 -4.379 -11.234 -23.764 1.00 0.00 C ATOM 1806 NZ LYS A 122 -4.217 -9.755 -23.859 1.00 0.00 N ATOM 0 H LYS A 122 -0.368 -7.786 -22.378 1.00 0.00 H new ATOM 0 HA LYS A 122 -0.120 -10.753 -22.208 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.359 -9.684 -22.608 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.731 -8.929 -24.060 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -2.235 -10.829 -25.217 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.016 -11.679 -24.288 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.018 -12.910 -23.857 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -2.825 -11.917 -22.426 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.804 -11.624 -24.689 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.075 -11.483 -22.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.150 -9.310 -23.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -3.766 -9.399 -22.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.621 -9.523 -24.679 1.00 0.00 H new ATOM 1820 N ALA A 123 1.199 -8.814 -24.502 1.00 0.00 N ATOM 1821 CA ALA A 123 2.191 -8.823 -25.615 1.00 0.00 C ATOM 1822 C ALA A 123 3.595 -9.036 -25.045 1.00 0.00 C ATOM 1823 O ALA A 123 4.515 -9.395 -25.753 1.00 0.00 O ATOM 1824 CB ALA A 123 2.140 -7.485 -26.355 1.00 0.00 C ATOM 0 H ALA A 123 0.881 -7.890 -24.210 1.00 0.00 H new ATOM 0 HA ALA A 123 1.953 -9.631 -26.307 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.865 -7.491 -27.169 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.140 -7.332 -26.761 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.378 -6.677 -25.663 1.00 0.00 H new ATOM 1830 N LYS A 124 3.766 -8.817 -23.770 1.00 0.00 N ATOM 1831 CA LYS A 124 5.110 -9.006 -23.155 1.00 0.00 C ATOM 1832 C LYS A 124 5.752 -10.279 -23.711 1.00 0.00 C ATOM 1833 O LYS A 124 6.929 -10.311 -24.013 1.00 0.00 O ATOM 1834 CB LYS A 124 4.962 -9.131 -21.635 1.00 0.00 C ATOM 1835 CG LYS A 124 6.013 -8.261 -20.938 1.00 0.00 C ATOM 1836 CD LYS A 124 5.455 -6.851 -20.731 1.00 0.00 C ATOM 1837 CE LYS A 124 6.412 -6.046 -19.851 1.00 0.00 C ATOM 1838 NZ LYS A 124 7.064 -4.984 -20.668 1.00 0.00 N ATOM 0 H LYS A 124 3.033 -8.515 -23.128 1.00 0.00 H new ATOM 0 HA LYS A 124 5.741 -8.149 -23.390 1.00 0.00 H new ATOM 0 HB2 LYS A 124 3.962 -8.822 -21.331 1.00 0.00 H new ATOM 0 HB3 LYS A 124 5.080 -10.172 -21.333 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.285 -8.700 -19.978 1.00 0.00 H new ATOM 0 HG3 LYS A 124 6.922 -8.219 -21.538 1.00 0.00 H new ATOM 0 HD2 LYS A 124 5.325 -6.355 -21.693 1.00 0.00 H new ATOM 0 HD3 LYS A 124 4.472 -6.903 -20.264 1.00 0.00 H new ATOM 0 HE2 LYS A 124 5.868 -5.598 -19.020 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.167 -6.704 -19.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 7.510 -4.286 -20.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 7.789 -5.412 -21.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 6.349 -4.511 -21.257 1.00 0.00 H new