USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 563 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 60 THR OG1 : rot 180:sc= 0.0248 USER MOD Set 1.2: A 61 THR OG1 : rot -101:sc= 0.169 USER MOD Single : A 26 TYR OH : rot 97:sc= 0.0775 USER MOD Single : A 27 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-5.8!) USER MOD Single : A 31 GLN : amide:sc= -0.368 K(o=-0.37,f=-2.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -95:sc= 0.728 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00145 USER MOD Single : A 38 SER OG : rot -82:sc= 0.685 USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00625 USER MOD Single : A 40 THR OG1 : rot 150:sc= 0.00926 USER MOD Single : A 42 THR OG1 : rot 127:sc= 0.907 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -7.62! C(o=-7.6!,f=-12!) USER MOD Single : A 48 SER OG : rot 180:sc= -1.02 USER MOD Single : A 50 SER OG : rot -19:sc= 0.689! USER MOD Single : A 51 SER OG : rot -140:sc= -0.0766 USER MOD Single : A 52 MET CE :methyl 175:sc= -20.3! (180deg=-21!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 55 HIS : no HD1:sc= -3.27! C(o=-3.3!,f=-8.1!) USER MOD Single : A 57 HIS : no HD1:sc= -2.57 X(o=-2.6,f=-2.7) USER MOD Single : A 58 GLN : amide:sc= -0.0805 K(o=-0.08,f=-0.61) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.87 K(o=0.87,f=-0.078) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -6.86! C(o=-11!,f=-6.9!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.44 K(o=-1.4,f=-6.4!) USER MOD Single : A 82 SER OG : rot -140:sc= -0.436 USER MOD Single : A 86 TYR OH : rot 120:sc= -1.69! USER MOD Single : A 87 THR OG1 : rot 104:sc= -0.0883 USER MOD Single : A 88 MET CE :methyl -146:sc= -0.303 (180deg=-0.846) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 141:sc= -0.878 USER MOD Single : A 98 ASN :FLIP amide:sc= -3.91! C(o=-5.7!,f=-3.9!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.019 X(o=-0.019,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 358 N ASP A 24 2.338 6.785 -4.603 1.00 0.00 N ATOM 359 CA ASP A 24 2.918 6.056 -3.440 1.00 0.00 C ATOM 360 C ASP A 24 2.498 6.727 -2.132 1.00 0.00 C ATOM 361 O ASP A 24 3.314 7.024 -1.282 1.00 0.00 O ATOM 362 CB ASP A 24 4.431 6.146 -3.629 1.00 0.00 C ATOM 363 CG ASP A 24 5.024 4.736 -3.680 1.00 0.00 C ATOM 364 OD1 ASP A 24 4.649 3.989 -4.569 1.00 0.00 O ATOM 365 OD2 ASP A 24 5.843 4.429 -2.830 1.00 0.00 O ATOM 0 HA ASP A 24 2.576 5.022 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.662 6.683 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.877 6.710 -2.810 1.00 0.00 H new ATOM 370 N CYS A 25 1.228 6.957 -1.963 1.00 0.00 N ATOM 371 CA CYS A 25 0.749 7.599 -0.707 1.00 0.00 C ATOM 372 C CYS A 25 -0.752 7.340 -0.518 1.00 0.00 C ATOM 373 O CYS A 25 -1.379 6.677 -1.319 1.00 0.00 O ATOM 374 CB CYS A 25 1.035 9.097 -0.877 1.00 0.00 C ATOM 375 SG CYS A 25 -0.190 9.848 -1.983 1.00 0.00 S ATOM 0 H CYS A 25 0.500 6.729 -2.640 1.00 0.00 H new ATOM 0 HA CYS A 25 1.248 7.199 0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.010 9.592 0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 25 2.037 9.240 -1.282 1.00 0.00 H new ATOM 380 N TYR A 26 -1.339 7.870 0.524 1.00 0.00 N ATOM 381 CA TYR A 26 -2.803 7.656 0.736 1.00 0.00 C ATOM 382 C TYR A 26 -3.409 8.844 1.485 1.00 0.00 C ATOM 383 O TYR A 26 -2.708 9.715 1.960 1.00 0.00 O ATOM 384 CB TYR A 26 -2.924 6.363 1.554 1.00 0.00 C ATOM 385 CG TYR A 26 -2.648 6.627 3.020 1.00 0.00 C ATOM 386 CD1 TYR A 26 -3.592 7.302 3.803 1.00 0.00 C ATOM 387 CD2 TYR A 26 -1.452 6.186 3.599 1.00 0.00 C ATOM 388 CE1 TYR A 26 -3.338 7.537 5.158 1.00 0.00 C ATOM 389 CE2 TYR A 26 -1.199 6.420 4.956 1.00 0.00 C ATOM 390 CZ TYR A 26 -2.142 7.098 5.736 1.00 0.00 C ATOM 391 OH TYR A 26 -1.896 7.330 7.074 1.00 0.00 O ATOM 0 H TYR A 26 -0.873 8.437 1.232 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.343 7.573 -0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.924 5.945 1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.222 5.620 1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.517 7.641 3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.723 5.664 2.997 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.067 8.059 5.760 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.276 6.077 5.400 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.141 6.537 7.594 1.00 0.00 H new ATOM 401 N HIS A 27 -4.709 8.887 1.588 1.00 0.00 N ATOM 402 CA HIS A 27 -5.361 10.021 2.303 1.00 0.00 C ATOM 403 C HIS A 27 -6.227 9.501 3.454 1.00 0.00 C ATOM 404 O HIS A 27 -7.046 8.620 3.279 1.00 0.00 O ATOM 405 CB HIS A 27 -6.230 10.703 1.245 1.00 0.00 C ATOM 406 CG HIS A 27 -7.031 9.664 0.508 1.00 0.00 C ATOM 407 ND1 HIS A 27 -6.528 8.983 -0.589 1.00 0.00 N ATOM 408 CD2 HIS A 27 -8.301 9.179 0.701 1.00 0.00 C ATOM 409 CE1 HIS A 27 -7.482 8.133 -1.011 1.00 0.00 C ATOM 410 NE2 HIS A 27 -8.584 8.213 -0.260 1.00 0.00 N ATOM 0 H HIS A 27 -5.347 8.187 1.209 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.634 10.704 2.741 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.897 11.425 1.717 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.603 11.257 0.546 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.603 9.104 -1.002 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.977 9.499 1.480 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.370 7.467 -1.854 1.00 0.00 H new ATOM 418 N GLY A 28 -6.055 10.042 4.630 1.00 0.00 N ATOM 419 CA GLY A 28 -6.871 9.584 5.792 1.00 0.00 C ATOM 420 C GLY A 28 -6.406 8.197 6.239 1.00 0.00 C ATOM 421 O GLY A 28 -5.621 8.061 7.157 1.00 0.00 O ATOM 0 H GLY A 28 -5.384 10.782 4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.777 10.292 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.925 9.553 5.518 1.00 0.00 H new ATOM 425 N ASP A 29 -6.887 7.166 5.601 1.00 0.00 N ATOM 426 CA ASP A 29 -6.475 5.788 5.991 1.00 0.00 C ATOM 427 C ASP A 29 -6.240 4.940 4.754 1.00 0.00 C ATOM 428 O ASP A 29 -6.128 3.733 4.828 1.00 0.00 O ATOM 429 CB ASP A 29 -7.647 5.235 6.805 1.00 0.00 C ATOM 430 CG ASP A 29 -7.658 5.879 8.192 1.00 0.00 C ATOM 431 OD1 ASP A 29 -6.613 5.902 8.822 1.00 0.00 O ATOM 432 OD2 ASP A 29 -8.711 6.339 8.603 1.00 0.00 O ATOM 0 H ASP A 29 -7.548 7.218 4.826 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.546 5.783 6.561 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.587 5.437 6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.561 4.152 6.896 1.00 0.00 H new ATOM 437 N GLY A 30 -6.195 5.553 3.607 1.00 0.00 N ATOM 438 CA GLY A 30 -6.004 4.761 2.367 1.00 0.00 C ATOM 439 C GLY A 30 -7.153 3.757 2.253 1.00 0.00 C ATOM 440 O GLY A 30 -7.150 2.888 1.405 1.00 0.00 O ATOM 0 H GLY A 30 -6.282 6.561 3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.986 5.417 1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.047 4.240 2.393 1.00 0.00 H new ATOM 444 N GLN A 31 -8.141 3.865 3.109 1.00 0.00 N ATOM 445 CA GLN A 31 -9.284 2.910 3.044 1.00 0.00 C ATOM 446 C GLN A 31 -10.022 3.057 1.711 1.00 0.00 C ATOM 447 O GLN A 31 -10.407 2.084 1.094 1.00 0.00 O ATOM 448 CB GLN A 31 -10.194 3.303 4.209 1.00 0.00 C ATOM 449 CG GLN A 31 -11.011 2.089 4.654 1.00 0.00 C ATOM 450 CD GLN A 31 -12.501 2.429 4.598 1.00 0.00 C ATOM 451 OE1 GLN A 31 -12.871 3.586 4.558 1.00 0.00 O ATOM 452 NE2 GLN A 31 -13.380 1.464 4.593 1.00 0.00 N ATOM 0 H GLN A 31 -8.202 4.569 3.844 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.960 1.872 3.113 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.596 3.676 5.041 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.860 4.111 3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.797 1.237 4.009 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.731 1.800 5.667 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.071 0.493 4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.376 1.681 4.556 1.00 0.00 H new ATOM 461 N SER A 32 -10.224 4.266 1.261 1.00 0.00 N ATOM 462 CA SER A 32 -10.937 4.470 -0.032 1.00 0.00 C ATOM 463 C SER A 32 -10.035 4.074 -1.204 1.00 0.00 C ATOM 464 O SER A 32 -10.433 4.125 -2.350 1.00 0.00 O ATOM 465 CB SER A 32 -11.252 5.964 -0.080 1.00 0.00 C ATOM 466 OG SER A 32 -12.149 6.289 0.974 1.00 0.00 O ATOM 0 H SER A 32 -9.926 5.120 1.732 1.00 0.00 H new ATOM 0 HA SER A 32 -11.838 3.861 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.334 6.544 0.016 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.694 6.224 -1.042 1.00 0.00 H new ATOM 0 HG SER A 32 -12.352 7.247 0.947 1.00 0.00 H new ATOM 472 N TYR A 33 -8.824 3.676 -0.926 1.00 0.00 N ATOM 473 CA TYR A 33 -7.904 3.277 -2.029 1.00 0.00 C ATOM 474 C TYR A 33 -8.517 2.127 -2.833 1.00 0.00 C ATOM 475 O TYR A 33 -8.206 0.972 -2.617 1.00 0.00 O ATOM 476 CB TYR A 33 -6.623 2.826 -1.330 1.00 0.00 C ATOM 477 CG TYR A 33 -5.457 2.951 -2.278 1.00 0.00 C ATOM 478 CD1 TYR A 33 -5.412 2.176 -3.442 1.00 0.00 C ATOM 479 CD2 TYR A 33 -4.420 3.845 -1.990 1.00 0.00 C ATOM 480 CE1 TYR A 33 -4.328 2.297 -4.320 1.00 0.00 C ATOM 481 CE2 TYR A 33 -3.338 3.967 -2.867 1.00 0.00 C ATOM 482 CZ TYR A 33 -3.291 3.193 -4.032 1.00 0.00 C ATOM 483 OH TYR A 33 -2.223 3.314 -4.897 1.00 0.00 O ATOM 0 H TYR A 33 -8.433 3.610 0.014 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.717 4.090 -2.731 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.449 3.433 -0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.724 1.793 -0.996 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.212 1.485 -3.663 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.455 4.441 -1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.292 1.700 -5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.539 4.658 -2.645 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.490 2.738 -4.594 1.00 0.00 H new ATOM 493 N ARG A 34 -9.386 2.434 -3.757 1.00 0.00 N ATOM 494 CA ARG A 34 -10.019 1.357 -4.572 1.00 0.00 C ATOM 495 C ARG A 34 -9.234 1.145 -5.868 1.00 0.00 C ATOM 496 O ARG A 34 -9.788 0.796 -6.891 1.00 0.00 O ATOM 497 CB ARG A 34 -11.428 1.865 -4.876 1.00 0.00 C ATOM 498 CG ARG A 34 -12.455 0.900 -4.281 1.00 0.00 C ATOM 499 CD ARG A 34 -13.700 1.677 -3.846 1.00 0.00 C ATOM 500 NE ARG A 34 -14.335 0.827 -2.801 1.00 0.00 N ATOM 501 CZ ARG A 34 -15.548 0.375 -2.972 1.00 0.00 C ATOM 502 NH1 ARG A 34 -15.774 -0.581 -3.830 1.00 0.00 N ATOM 503 NH2 ARG A 34 -16.536 0.879 -2.285 1.00 0.00 N ATOM 0 H ARG A 34 -9.685 3.383 -3.983 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.035 0.400 -4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.565 2.862 -4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.572 1.948 -5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.726 0.143 -5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.025 0.376 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.436 2.658 -3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.376 1.843 -4.685 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.821 0.597 -1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -15.003 -0.976 -4.368 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.722 -0.933 -3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.361 1.627 -1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.483 0.525 -2.419 1.00 0.00 H new ATOM 517 N GLY A 35 -7.946 1.353 -5.832 1.00 0.00 N ATOM 518 CA GLY A 35 -7.125 1.162 -7.061 1.00 0.00 C ATOM 519 C GLY A 35 -6.470 -0.218 -7.023 1.00 0.00 C ATOM 520 O GLY A 35 -6.981 -1.141 -6.422 1.00 0.00 O ATOM 0 H GLY A 35 -7.427 1.647 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.751 1.255 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.362 1.938 -7.126 1.00 0.00 H new ATOM 524 N SER A 36 -5.340 -0.368 -7.658 1.00 0.00 N ATOM 525 CA SER A 36 -4.654 -1.692 -7.653 1.00 0.00 C ATOM 526 C SER A 36 -3.192 -1.526 -7.233 1.00 0.00 C ATOM 527 O SER A 36 -2.285 -1.924 -7.936 1.00 0.00 O ATOM 528 CB SER A 36 -4.746 -2.192 -9.093 1.00 0.00 C ATOM 529 OG SER A 36 -4.902 -1.081 -9.967 1.00 0.00 O ATOM 0 H SER A 36 -4.862 0.367 -8.179 1.00 0.00 H new ATOM 0 HA SER A 36 -5.109 -2.391 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.848 -2.751 -9.354 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.589 -2.875 -9.200 1.00 0.00 H new ATOM 0 HG SER A 36 -4.960 -1.398 -10.892 1.00 0.00 H new ATOM 535 N PHE A 37 -2.958 -0.940 -6.091 1.00 0.00 N ATOM 536 CA PHE A 37 -1.555 -0.748 -5.626 1.00 0.00 C ATOM 537 C PHE A 37 -0.920 -2.092 -5.283 1.00 0.00 C ATOM 538 O PHE A 37 -0.579 -2.359 -4.149 1.00 0.00 O ATOM 539 CB PHE A 37 -1.664 0.132 -4.380 1.00 0.00 C ATOM 540 CG PHE A 37 -0.296 0.663 -4.025 1.00 0.00 C ATOM 541 CD1 PHE A 37 0.362 1.537 -4.898 1.00 0.00 C ATOM 542 CD2 PHE A 37 0.315 0.278 -2.826 1.00 0.00 C ATOM 543 CE1 PHE A 37 1.632 2.027 -4.571 1.00 0.00 C ATOM 544 CE2 PHE A 37 1.585 0.768 -2.499 1.00 0.00 C ATOM 545 CZ PHE A 37 2.243 1.643 -3.372 1.00 0.00 C ATOM 0 H PHE A 37 -3.677 -0.586 -5.460 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.928 -0.291 -6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.351 0.958 -4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.071 -0.443 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.110 1.833 -5.823 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.193 -0.397 -2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.140 2.701 -5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.057 0.471 -1.574 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.223 2.022 -3.120 1.00 0.00 H new ATOM 555 N SER A 38 -0.752 -2.942 -6.257 1.00 0.00 N ATOM 556 CA SER A 38 -0.135 -4.276 -6.000 1.00 0.00 C ATOM 557 C SER A 38 1.351 -4.152 -5.610 1.00 0.00 C ATOM 558 O SER A 38 2.184 -4.896 -6.090 1.00 0.00 O ATOM 559 CB SER A 38 -0.272 -5.016 -7.328 1.00 0.00 C ATOM 560 OG SER A 38 -1.372 -4.479 -8.051 1.00 0.00 O ATOM 0 H SER A 38 -1.017 -2.770 -7.227 1.00 0.00 H new ATOM 0 HA SER A 38 -0.619 -4.791 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.644 -4.916 -7.910 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.423 -6.081 -7.151 1.00 0.00 H new ATOM 0 HG SER A 38 -2.205 -4.878 -7.724 1.00 0.00 H new ATOM 566 N THR A 39 1.695 -3.237 -4.738 1.00 0.00 N ATOM 567 CA THR A 39 3.124 -3.100 -4.324 1.00 0.00 C ATOM 568 C THR A 39 3.210 -2.963 -2.800 1.00 0.00 C ATOM 569 O THR A 39 2.495 -2.186 -2.199 1.00 0.00 O ATOM 570 CB THR A 39 3.622 -1.826 -5.009 1.00 0.00 C ATOM 571 OG1 THR A 39 3.063 -1.740 -6.312 1.00 0.00 O ATOM 572 CG2 THR A 39 5.148 -1.861 -5.109 1.00 0.00 C ATOM 0 H THR A 39 1.050 -2.581 -4.297 1.00 0.00 H new ATOM 0 HA THR A 39 3.723 -3.966 -4.605 1.00 0.00 H new ATOM 0 HB THR A 39 3.318 -0.958 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.380 -0.923 -6.751 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.502 -0.953 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.577 -1.926 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.455 -2.729 -5.692 1.00 0.00 H new ATOM 580 N THR A 40 4.067 -3.718 -2.166 1.00 0.00 N ATOM 581 CA THR A 40 4.173 -3.629 -0.680 1.00 0.00 C ATOM 582 C THR A 40 5.195 -2.567 -0.263 1.00 0.00 C ATOM 583 O THR A 40 5.936 -2.046 -1.072 1.00 0.00 O ATOM 584 CB THR A 40 4.630 -5.017 -0.231 1.00 0.00 C ATOM 585 OG1 THR A 40 5.916 -5.288 -0.773 1.00 0.00 O ATOM 586 CG2 THR A 40 3.635 -6.070 -0.723 1.00 0.00 C ATOM 0 H THR A 40 4.695 -4.389 -2.609 1.00 0.00 H new ATOM 0 HA THR A 40 3.226 -3.339 -0.225 1.00 0.00 H new ATOM 0 HB THR A 40 4.679 -5.049 0.857 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.409 -5.879 -0.166 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.963 -7.059 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.649 -5.862 -0.307 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.583 -6.041 -1.811 1.00 0.00 H new ATOM 594 N VAL A 41 5.230 -2.245 1.002 1.00 0.00 N ATOM 595 CA VAL A 41 6.191 -1.217 1.497 1.00 0.00 C ATOM 596 C VAL A 41 7.629 -1.612 1.139 1.00 0.00 C ATOM 597 O VAL A 41 8.441 -0.780 0.786 1.00 0.00 O ATOM 598 CB VAL A 41 5.986 -1.201 3.019 1.00 0.00 C ATOM 599 CG1 VAL A 41 7.257 -0.709 3.720 1.00 0.00 C ATOM 600 CG2 VAL A 41 4.828 -0.263 3.361 1.00 0.00 C ATOM 0 H VAL A 41 4.630 -2.653 1.719 1.00 0.00 H new ATOM 0 HA VAL A 41 6.023 -0.237 1.051 1.00 0.00 H new ATOM 0 HB VAL A 41 5.761 -2.212 3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.098 -0.702 4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.086 -1.374 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.492 0.300 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.678 -0.248 4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.060 0.744 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.919 -0.615 2.874 1.00 0.00 H new ATOM 610 N THR A 42 7.950 -2.872 1.234 1.00 0.00 N ATOM 611 CA THR A 42 9.335 -3.315 0.907 1.00 0.00 C ATOM 612 C THR A 42 9.579 -3.242 -0.603 1.00 0.00 C ATOM 613 O THR A 42 10.655 -3.540 -1.081 1.00 0.00 O ATOM 614 CB THR A 42 9.404 -4.763 1.391 1.00 0.00 C ATOM 615 OG1 THR A 42 9.065 -4.815 2.769 1.00 0.00 O ATOM 616 CG2 THR A 42 10.820 -5.303 1.190 1.00 0.00 C ATOM 0 H THR A 42 7.314 -3.615 1.524 1.00 0.00 H new ATOM 0 HA THR A 42 10.091 -2.686 1.377 1.00 0.00 H new ATOM 0 HB THR A 42 8.703 -5.372 0.821 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.351 -5.472 2.906 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.868 -6.336 1.536 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.078 -5.262 0.132 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.525 -4.697 1.759 1.00 0.00 H new ATOM 624 N GLY A 43 8.588 -2.858 -1.358 1.00 0.00 N ATOM 625 CA GLY A 43 8.767 -2.778 -2.834 1.00 0.00 C ATOM 626 C GLY A 43 8.673 -4.185 -3.427 1.00 0.00 C ATOM 627 O GLY A 43 8.924 -4.396 -4.597 1.00 0.00 O ATOM 0 H GLY A 43 7.663 -2.596 -1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.004 -2.134 -3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.733 -2.333 -3.072 1.00 0.00 H new ATOM 631 N ARG A 44 8.311 -5.148 -2.623 1.00 0.00 N ATOM 632 CA ARG A 44 8.196 -6.544 -3.125 1.00 0.00 C ATOM 633 C ARG A 44 6.898 -6.716 -3.911 1.00 0.00 C ATOM 634 O ARG A 44 6.286 -5.760 -4.344 1.00 0.00 O ATOM 635 CB ARG A 44 8.173 -7.406 -1.863 1.00 0.00 C ATOM 636 CG ARG A 44 8.735 -8.793 -2.178 1.00 0.00 C ATOM 637 CD ARG A 44 10.006 -9.027 -1.361 1.00 0.00 C ATOM 638 NE ARG A 44 9.531 -9.508 -0.035 1.00 0.00 N ATOM 639 CZ ARG A 44 10.395 -9.785 0.901 1.00 0.00 C ATOM 640 NH1 ARG A 44 10.901 -10.985 0.988 1.00 0.00 N ATOM 641 NH2 ARG A 44 10.755 -8.862 1.750 1.00 0.00 N ATOM 0 H ARG A 44 8.089 -5.025 -1.635 1.00 0.00 H new ATOM 0 HA ARG A 44 9.011 -6.815 -3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.763 -6.934 -1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.153 -7.492 -1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.995 -9.558 -1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.954 -8.875 -3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.652 -9.763 -1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.586 -8.109 -1.263 1.00 0.00 H new ATOM 0 HE ARG A 44 8.533 -9.621 0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.620 -11.706 0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.577 -11.202 1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.360 -7.924 1.681 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.431 -9.079 2.482 1.00 0.00 H new ATOM 655 N THR A 45 6.473 -7.931 -4.087 1.00 0.00 N ATOM 656 CA THR A 45 5.209 -8.182 -4.833 1.00 0.00 C ATOM 657 C THR A 45 4.200 -8.864 -3.912 1.00 0.00 C ATOM 658 O THR A 45 4.405 -9.975 -3.466 1.00 0.00 O ATOM 659 CB THR A 45 5.596 -9.109 -5.985 1.00 0.00 C ATOM 660 OG1 THR A 45 6.600 -8.488 -6.774 1.00 0.00 O ATOM 661 CG2 THR A 45 4.365 -9.387 -6.847 1.00 0.00 C ATOM 0 H THR A 45 6.947 -8.767 -3.746 1.00 0.00 H new ATOM 0 HA THR A 45 4.750 -7.263 -5.197 1.00 0.00 H new ATOM 0 HB THR A 45 5.979 -10.048 -5.586 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.850 -9.082 -7.512 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.638 -10.048 -7.669 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.595 -9.863 -6.239 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.982 -8.449 -7.248 1.00 0.00 H new ATOM 669 N CYS A 46 3.116 -8.206 -3.612 1.00 0.00 N ATOM 670 CA CYS A 46 2.110 -8.816 -2.712 1.00 0.00 C ATOM 671 C CYS A 46 1.463 -10.027 -3.389 1.00 0.00 C ATOM 672 O CYS A 46 1.337 -10.086 -4.596 1.00 0.00 O ATOM 673 CB CYS A 46 1.088 -7.699 -2.445 1.00 0.00 C ATOM 674 SG CYS A 46 -0.562 -8.398 -2.133 1.00 0.00 S ATOM 0 H CYS A 46 2.887 -7.272 -3.953 1.00 0.00 H new ATOM 0 HA CYS A 46 2.543 -9.185 -1.782 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.405 -7.106 -1.587 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.047 -7.025 -3.300 1.00 0.00 H new ATOM 679 N GLN A 47 1.039 -10.983 -2.613 1.00 0.00 N ATOM 680 CA GLN A 47 0.386 -12.181 -3.201 1.00 0.00 C ATOM 681 C GLN A 47 -1.119 -11.942 -3.309 1.00 0.00 C ATOM 682 O GLN A 47 -1.789 -11.752 -2.313 1.00 0.00 O ATOM 683 CB GLN A 47 0.659 -13.318 -2.217 1.00 0.00 C ATOM 684 CG GLN A 47 -0.275 -14.492 -2.522 1.00 0.00 C ATOM 685 CD GLN A 47 -1.233 -14.699 -1.347 1.00 0.00 C ATOM 686 OE1 GLN A 47 -1.396 -13.824 -0.520 1.00 0.00 O ATOM 687 NE2 GLN A 47 -1.879 -15.828 -1.237 1.00 0.00 N ATOM 0 H GLN A 47 1.117 -10.986 -1.596 1.00 0.00 H new ATOM 0 HA GLN A 47 0.764 -12.406 -4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.698 -13.637 -2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.505 -12.973 -1.194 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.838 -14.295 -3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.306 -15.398 -2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.743 -16.563 -1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.520 -15.975 -0.457 1.00 0.00 H new ATOM 696 N SER A 48 -1.660 -11.955 -4.496 1.00 0.00 N ATOM 697 CA SER A 48 -3.125 -11.738 -4.635 1.00 0.00 C ATOM 698 C SER A 48 -3.857 -12.533 -3.555 1.00 0.00 C ATOM 699 O SER A 48 -3.358 -13.520 -3.054 1.00 0.00 O ATOM 700 CB SER A 48 -3.477 -12.258 -6.027 1.00 0.00 C ATOM 701 OG SER A 48 -2.407 -11.973 -6.918 1.00 0.00 O ATOM 0 H SER A 48 -1.154 -12.105 -5.369 1.00 0.00 H new ATOM 0 HA SER A 48 -3.411 -10.693 -4.520 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.660 -13.332 -5.991 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.395 -11.790 -6.381 1.00 0.00 H new ATOM 0 HG SER A 48 -2.628 -12.307 -7.812 1.00 0.00 H new ATOM 707 N TRP A 49 -5.028 -12.111 -3.184 1.00 0.00 N ATOM 708 CA TRP A 49 -5.771 -12.849 -2.127 1.00 0.00 C ATOM 709 C TRP A 49 -6.326 -14.153 -2.710 1.00 0.00 C ATOM 710 O TRP A 49 -6.493 -15.135 -2.015 1.00 0.00 O ATOM 711 CB TRP A 49 -6.911 -11.923 -1.680 1.00 0.00 C ATOM 712 CG TRP A 49 -6.453 -10.493 -1.624 1.00 0.00 C ATOM 713 CD1 TRP A 49 -6.529 -9.607 -2.638 1.00 0.00 C ATOM 714 CD2 TRP A 49 -5.880 -9.766 -0.502 1.00 0.00 C ATOM 715 NE1 TRP A 49 -6.017 -8.399 -2.214 1.00 0.00 N ATOM 716 CE2 TRP A 49 -5.610 -8.444 -0.906 1.00 0.00 C ATOM 717 CE3 TRP A 49 -5.568 -10.127 0.807 1.00 0.00 C ATOM 718 CZ2 TRP A 49 -5.050 -7.510 -0.039 1.00 0.00 C ATOM 719 CZ3 TRP A 49 -5.003 -9.196 1.694 1.00 0.00 C ATOM 720 CH2 TRP A 49 -4.744 -7.886 1.270 1.00 0.00 C ATOM 0 H TRP A 49 -5.503 -11.292 -3.563 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.132 -13.111 -1.283 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.749 -12.013 -2.371 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.272 -12.232 -0.699 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -6.926 -9.810 -3.622 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -5.949 -7.570 -2.804 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -5.763 -11.135 1.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.854 -6.503 -0.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -4.767 -9.491 2.706 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.310 -7.171 1.953 1.00 0.00 H new ATOM 731 N SER A 50 -6.605 -14.168 -3.985 1.00 0.00 N ATOM 732 CA SER A 50 -7.142 -15.406 -4.621 1.00 0.00 C ATOM 733 C SER A 50 -6.014 -16.418 -4.859 1.00 0.00 C ATOM 734 O SER A 50 -6.221 -17.466 -5.439 1.00 0.00 O ATOM 735 CB SER A 50 -7.733 -14.939 -5.949 1.00 0.00 C ATOM 736 OG SER A 50 -8.054 -16.072 -6.744 1.00 0.00 O ATOM 0 H SER A 50 -6.484 -13.375 -4.615 1.00 0.00 H new ATOM 0 HA SER A 50 -7.883 -15.904 -3.995 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.626 -14.340 -5.772 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.021 -14.302 -6.474 1.00 0.00 H new ATOM 0 HG SER A 50 -7.560 -16.852 -6.416 1.00 0.00 H new ATOM 742 N SER A 51 -4.824 -16.112 -4.419 1.00 0.00 N ATOM 743 CA SER A 51 -3.682 -17.054 -4.620 1.00 0.00 C ATOM 744 C SER A 51 -3.850 -18.285 -3.729 1.00 0.00 C ATOM 745 O SER A 51 -4.165 -18.177 -2.561 1.00 0.00 O ATOM 746 CB SER A 51 -2.442 -16.258 -4.212 1.00 0.00 C ATOM 747 OG SER A 51 -2.061 -15.402 -5.280 1.00 0.00 O ATOM 0 H SER A 51 -4.591 -15.249 -3.928 1.00 0.00 H new ATOM 0 HA SER A 51 -3.616 -17.415 -5.646 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.650 -15.671 -3.317 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.625 -16.936 -3.965 1.00 0.00 H new ATOM 0 HG SER A 51 -1.084 -15.391 -5.358 1.00 0.00 H new ATOM 753 N MET A 52 -3.647 -19.456 -4.268 1.00 0.00 N ATOM 754 CA MET A 52 -3.802 -20.685 -3.440 1.00 0.00 C ATOM 755 C MET A 52 -2.459 -21.405 -3.308 1.00 0.00 C ATOM 756 O MET A 52 -2.387 -22.520 -2.830 1.00 0.00 O ATOM 757 CB MET A 52 -4.811 -21.572 -4.183 1.00 0.00 C ATOM 758 CG MET A 52 -5.985 -20.735 -4.708 1.00 0.00 C ATOM 759 SD MET A 52 -7.380 -20.884 -3.583 1.00 0.00 S ATOM 760 CE MET A 52 -6.570 -20.050 -2.209 1.00 0.00 C ATOM 0 H MET A 52 -3.382 -19.614 -5.240 1.00 0.00 H new ATOM 0 HA MET A 52 -4.145 -20.449 -2.433 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.317 -22.076 -5.014 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.182 -22.349 -3.514 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.688 -19.690 -4.799 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.270 -21.074 -5.704 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.277 -19.931 -1.388 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.720 -20.644 -1.873 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.222 -19.069 -2.533 1.00 0.00 H new ATOM 770 N THR A 53 -1.393 -20.779 -3.727 1.00 0.00 N ATOM 771 CA THR A 53 -0.059 -21.440 -3.618 1.00 0.00 C ATOM 772 C THR A 53 0.586 -21.115 -2.264 1.00 0.00 C ATOM 773 O THR A 53 0.779 -21.995 -1.450 1.00 0.00 O ATOM 774 CB THR A 53 0.771 -20.876 -4.774 1.00 0.00 C ATOM 775 OG1 THR A 53 0.098 -19.761 -5.344 1.00 0.00 O ATOM 776 CG2 THR A 53 0.965 -21.957 -5.837 1.00 0.00 C ATOM 0 H THR A 53 -1.386 -19.845 -4.137 1.00 0.00 H new ATOM 0 HA THR A 53 -0.132 -22.526 -3.675 1.00 0.00 H new ATOM 0 HB THR A 53 1.744 -20.557 -4.400 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.631 -19.400 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.556 -21.556 -6.660 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.485 -22.809 -5.399 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.007 -22.278 -6.211 1.00 0.00 H new ATOM 784 N PRO A 54 0.893 -19.857 -2.059 1.00 0.00 N ATOM 785 CA PRO A 54 1.511 -19.431 -0.779 1.00 0.00 C ATOM 786 C PRO A 54 0.456 -19.429 0.333 1.00 0.00 C ATOM 787 O PRO A 54 0.211 -20.433 0.972 1.00 0.00 O ATOM 788 CB PRO A 54 1.997 -18.013 -1.069 1.00 0.00 C ATOM 789 CG PRO A 54 1.119 -17.524 -2.177 1.00 0.00 C ATOM 790 CD PRO A 54 0.701 -18.728 -2.980 1.00 0.00 C ATOM 0 HA PRO A 54 2.314 -20.088 -0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.911 -17.378 -0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.046 -18.008 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.247 -17.007 -1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.653 -16.810 -2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.337 -18.650 -3.304 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.308 -18.839 -3.878 1.00 0.00 H new ATOM 798 N HIS A 55 -0.176 -18.308 0.562 1.00 0.00 N ATOM 799 CA HIS A 55 -1.225 -18.240 1.627 1.00 0.00 C ATOM 800 C HIS A 55 -2.596 -18.506 1.002 1.00 0.00 C ATOM 801 O HIS A 55 -2.953 -17.917 0.001 1.00 0.00 O ATOM 802 CB HIS A 55 -1.157 -16.812 2.192 1.00 0.00 C ATOM 803 CG HIS A 55 0.263 -16.311 2.156 1.00 0.00 C ATOM 804 ND1 HIS A 55 0.825 -15.783 1.006 1.00 0.00 N ATOM 805 CD2 HIS A 55 1.254 -16.283 3.105 1.00 0.00 C ATOM 806 CE1 HIS A 55 2.099 -15.468 1.284 1.00 0.00 C ATOM 807 NE2 HIS A 55 2.416 -15.750 2.551 1.00 0.00 N ATOM 0 H HIS A 55 -0.013 -17.436 0.059 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.068 -18.980 2.412 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.799 -16.151 1.610 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.530 -16.799 3.216 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.149 -16.622 4.125 1.00 0.00 H new ATOM 0 HE1 HIS A 55 2.786 -15.038 0.570 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.314 -15.606 3.013 1.00 0.00 H new ATOM 815 N TRP A 56 -3.363 -19.396 1.570 1.00 0.00 N ATOM 816 CA TRP A 56 -4.700 -19.698 0.985 1.00 0.00 C ATOM 817 C TRP A 56 -5.789 -18.836 1.628 1.00 0.00 C ATOM 818 O TRP A 56 -5.734 -18.510 2.798 1.00 0.00 O ATOM 819 CB TRP A 56 -4.945 -21.175 1.285 1.00 0.00 C ATOM 820 CG TRP A 56 -5.915 -21.722 0.288 1.00 0.00 C ATOM 821 CD1 TRP A 56 -7.211 -21.367 0.191 1.00 0.00 C ATOM 822 CD2 TRP A 56 -5.686 -22.690 -0.767 1.00 0.00 C ATOM 823 NE1 TRP A 56 -7.800 -22.068 -0.836 1.00 0.00 N ATOM 824 CE2 TRP A 56 -6.901 -22.898 -1.461 1.00 0.00 C ATOM 825 CE3 TRP A 56 -4.560 -23.399 -1.180 1.00 0.00 C ATOM 826 CZ2 TRP A 56 -6.991 -23.783 -2.529 1.00 0.00 C ATOM 827 CZ3 TRP A 56 -4.643 -24.285 -2.258 1.00 0.00 C ATOM 828 CH2 TRP A 56 -5.855 -24.481 -2.933 1.00 0.00 C ATOM 0 H TRP A 56 -3.124 -19.924 2.409 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.727 -19.485 -0.084 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -4.007 -21.729 1.240 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -5.337 -21.294 2.295 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.710 -20.645 0.821 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -8.781 -21.982 -1.100 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.620 -23.264 -0.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.931 -23.928 -3.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -3.763 -24.825 -2.574 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -5.908 -25.170 -3.763 1.00 0.00 H new ATOM 839 N HIS A 57 -6.779 -18.468 0.862 1.00 0.00 N ATOM 840 CA HIS A 57 -7.885 -17.629 1.400 1.00 0.00 C ATOM 841 C HIS A 57 -7.317 -16.497 2.266 1.00 0.00 C ATOM 842 O HIS A 57 -6.642 -15.616 1.772 1.00 0.00 O ATOM 843 CB HIS A 57 -8.751 -18.588 2.221 1.00 0.00 C ATOM 844 CG HIS A 57 -9.608 -19.400 1.290 1.00 0.00 C ATOM 845 ND1 HIS A 57 -10.138 -18.870 0.124 1.00 0.00 N ATOM 846 CD2 HIS A 57 -10.033 -20.705 1.335 1.00 0.00 C ATOM 847 CE1 HIS A 57 -10.845 -19.843 -0.480 1.00 0.00 C ATOM 848 NE2 HIS A 57 -10.814 -20.982 0.217 1.00 0.00 N ATOM 0 H HIS A 57 -6.869 -18.716 -0.123 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.467 -17.148 0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.120 -19.245 2.820 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -9.377 -18.028 2.915 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.797 -21.409 2.119 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.373 -19.718 -1.414 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -11.266 -21.865 -0.019 1.00 0.00 H new ATOM 856 N GLN A 58 -7.573 -16.505 3.549 1.00 0.00 N ATOM 857 CA GLN A 58 -7.034 -15.420 4.418 1.00 0.00 C ATOM 858 C GLN A 58 -7.321 -14.050 3.793 1.00 0.00 C ATOM 859 O GLN A 58 -6.610 -13.594 2.919 1.00 0.00 O ATOM 860 CB GLN A 58 -5.529 -15.681 4.480 1.00 0.00 C ATOM 861 CG GLN A 58 -5.151 -16.162 5.883 1.00 0.00 C ATOM 862 CD GLN A 58 -4.513 -17.549 5.790 1.00 0.00 C ATOM 863 OE1 GLN A 58 -5.172 -18.512 5.452 1.00 0.00 O ATOM 864 NE2 GLN A 58 -3.248 -17.692 6.077 1.00 0.00 N ATOM 0 H GLN A 58 -8.129 -17.213 4.029 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.488 -15.415 5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.248 -16.430 3.739 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.981 -14.771 4.236 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.456 -15.460 6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.036 -16.199 6.518 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.695 -16.883 6.361 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.812 -18.612 6.018 1.00 0.00 H new ATOM 873 N ARG A 59 -8.360 -13.393 4.232 1.00 0.00 N ATOM 874 CA ARG A 59 -8.695 -12.058 3.658 1.00 0.00 C ATOM 875 C ARG A 59 -8.697 -12.132 2.130 1.00 0.00 C ATOM 876 O ARG A 59 -7.740 -11.763 1.478 1.00 0.00 O ATOM 877 CB ARG A 59 -7.594 -11.120 4.154 1.00 0.00 C ATOM 878 CG ARG A 59 -8.215 -9.785 4.574 1.00 0.00 C ATOM 879 CD ARG A 59 -8.386 -9.754 6.095 1.00 0.00 C ATOM 880 NE ARG A 59 -9.617 -10.550 6.361 1.00 0.00 N ATOM 881 CZ ARG A 59 -9.945 -10.853 7.588 1.00 0.00 C ATOM 882 NH1 ARG A 59 -9.016 -11.028 8.487 1.00 0.00 N ATOM 883 NH2 ARG A 59 -11.203 -10.980 7.914 1.00 0.00 N ATOM 0 H ARG A 59 -8.991 -13.722 4.963 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.683 -11.712 3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.069 -11.571 4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.856 -10.959 3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.580 -8.960 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.181 -9.652 4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.521 -10.185 6.598 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.490 -8.732 6.460 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.203 -10.858 5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.034 -10.928 8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.272 -11.265 9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.929 -10.843 7.210 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.460 -11.217 8.872 1.00 0.00 H new ATOM 897 N THR A 60 -9.765 -12.614 1.557 1.00 0.00 N ATOM 898 CA THR A 60 -9.839 -12.723 0.071 1.00 0.00 C ATOM 899 C THR A 60 -11.196 -12.261 -0.428 1.00 0.00 C ATOM 900 O THR A 60 -12.118 -12.054 0.337 1.00 0.00 O ATOM 901 CB THR A 60 -9.670 -14.212 -0.249 1.00 0.00 C ATOM 902 OG1 THR A 60 -10.250 -14.486 -1.517 1.00 0.00 O ATOM 903 CG2 THR A 60 -10.366 -15.062 0.819 1.00 0.00 C ATOM 0 H THR A 60 -10.594 -12.939 2.055 1.00 0.00 H new ATOM 0 HA THR A 60 -9.077 -12.106 -0.405 1.00 0.00 H new ATOM 0 HB THR A 60 -8.608 -14.457 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.143 -15.437 -1.727 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.240 -16.118 0.582 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.925 -14.854 1.794 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.428 -14.819 0.842 1.00 0.00 H new ATOM 911 N THR A 61 -11.339 -12.130 -1.712 1.00 0.00 N ATOM 912 CA THR A 61 -12.650 -11.721 -2.258 1.00 0.00 C ATOM 913 C THR A 61 -13.662 -12.812 -1.940 1.00 0.00 C ATOM 914 O THR A 61 -14.857 -12.616 -2.043 1.00 0.00 O ATOM 915 CB THR A 61 -12.439 -11.587 -3.762 1.00 0.00 C ATOM 916 OG1 THR A 61 -11.376 -12.437 -4.169 1.00 0.00 O ATOM 917 CG2 THR A 61 -12.092 -10.137 -4.082 1.00 0.00 C ATOM 0 H THR A 61 -10.606 -12.288 -2.403 1.00 0.00 H new ATOM 0 HA THR A 61 -13.022 -10.787 -1.837 1.00 0.00 H new ATOM 0 HB THR A 61 -13.347 -11.874 -4.293 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.560 -11.907 -4.288 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.939 -10.028 -5.156 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.909 -9.489 -3.765 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.180 -9.856 -3.555 1.00 0.00 H new ATOM 925 N GLU A 62 -13.193 -13.964 -1.528 1.00 0.00 N ATOM 926 CA GLU A 62 -14.137 -15.043 -1.183 1.00 0.00 C ATOM 927 C GLU A 62 -14.815 -14.665 0.117 1.00 0.00 C ATOM 928 O GLU A 62 -15.942 -15.031 0.386 1.00 0.00 O ATOM 929 CB GLU A 62 -13.291 -16.309 -1.028 1.00 0.00 C ATOM 930 CG GLU A 62 -13.996 -17.482 -1.713 1.00 0.00 C ATOM 931 CD GLU A 62 -13.192 -17.918 -2.940 1.00 0.00 C ATOM 932 OE1 GLU A 62 -12.278 -17.200 -3.312 1.00 0.00 O ATOM 933 OE2 GLU A 62 -13.504 -18.963 -3.487 1.00 0.00 O ATOM 0 H GLU A 62 -12.205 -14.192 -1.420 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.909 -15.203 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.305 -16.156 -1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.138 -16.530 0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.097 -18.315 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.003 -17.191 -2.010 1.00 0.00 H new ATOM 940 N TYR A 63 -14.138 -13.891 0.909 1.00 0.00 N ATOM 941 CA TYR A 63 -14.735 -13.430 2.176 1.00 0.00 C ATOM 942 C TYR A 63 -15.251 -12.006 1.980 1.00 0.00 C ATOM 943 O TYR A 63 -15.819 -11.413 2.874 1.00 0.00 O ATOM 944 CB TYR A 63 -13.603 -13.461 3.204 1.00 0.00 C ATOM 945 CG TYR A 63 -13.837 -14.597 4.170 1.00 0.00 C ATOM 946 CD1 TYR A 63 -14.480 -15.762 3.737 1.00 0.00 C ATOM 947 CD2 TYR A 63 -13.410 -14.485 5.499 1.00 0.00 C ATOM 948 CE1 TYR A 63 -14.697 -16.816 4.631 1.00 0.00 C ATOM 949 CE2 TYR A 63 -13.627 -15.540 6.394 1.00 0.00 C ATOM 950 CZ TYR A 63 -14.270 -16.705 5.960 1.00 0.00 C ATOM 951 OH TYR A 63 -14.483 -17.745 6.842 1.00 0.00 O ATOM 0 H TYR A 63 -13.191 -13.558 0.728 1.00 0.00 H new ATOM 0 HA TYR A 63 -15.570 -14.050 2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -12.644 -13.587 2.702 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -13.559 -12.514 3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -14.809 -15.848 2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -12.914 -13.586 5.833 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -15.194 -17.715 4.296 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -13.298 -15.455 7.419 1.00 0.00 H new ATOM 0 HH TYR A 63 -14.125 -17.506 7.722 1.00 0.00 H new ATOM 961 N TYR A 64 -15.058 -11.447 0.808 1.00 0.00 N ATOM 962 CA TYR A 64 -15.546 -10.057 0.574 1.00 0.00 C ATOM 963 C TYR A 64 -15.912 -9.851 -0.896 1.00 0.00 C ATOM 964 O TYR A 64 -15.050 -9.697 -1.738 1.00 0.00 O ATOM 965 CB TYR A 64 -14.379 -9.154 0.972 1.00 0.00 C ATOM 966 CG TYR A 64 -14.503 -8.797 2.433 1.00 0.00 C ATOM 967 CD1 TYR A 64 -15.641 -8.125 2.894 1.00 0.00 C ATOM 968 CD2 TYR A 64 -13.483 -9.143 3.327 1.00 0.00 C ATOM 969 CE1 TYR A 64 -15.759 -7.797 4.249 1.00 0.00 C ATOM 970 CE2 TYR A 64 -13.601 -8.816 4.683 1.00 0.00 C ATOM 971 CZ TYR A 64 -14.739 -8.143 5.145 1.00 0.00 C ATOM 972 OH TYR A 64 -14.856 -7.820 6.482 1.00 0.00 O ATOM 0 H TYR A 64 -14.590 -11.888 0.016 1.00 0.00 H new ATOM 0 HA TYR A 64 -16.446 -9.839 1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -13.432 -9.662 0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -14.379 -8.250 0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -16.428 -7.860 2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.605 -9.662 2.971 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -16.636 -7.277 4.604 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -12.814 -9.083 5.373 1.00 0.00 H new ATOM 0 HH TYR A 64 -14.062 -8.133 6.965 1.00 0.00 H new ATOM 982 N PRO A 65 -17.192 -9.848 -1.149 1.00 0.00 N ATOM 983 CA PRO A 65 -17.699 -9.648 -2.527 1.00 0.00 C ATOM 984 C PRO A 65 -17.574 -8.175 -2.926 1.00 0.00 C ATOM 985 O PRO A 65 -17.437 -7.845 -4.087 1.00 0.00 O ATOM 986 CB PRO A 65 -19.165 -10.057 -2.432 1.00 0.00 C ATOM 987 CG PRO A 65 -19.534 -9.853 -0.996 1.00 0.00 C ATOM 988 CD PRO A 65 -18.279 -10.032 -0.181 1.00 0.00 C ATOM 0 HA PRO A 65 -17.149 -10.219 -3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -19.787 -9.449 -3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -19.305 -11.096 -2.731 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -19.952 -8.858 -0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -20.297 -10.569 -0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -18.221 -9.302 0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.240 -11.020 0.279 1.00 0.00 H new ATOM 996 N ASN A 66 -17.624 -7.290 -1.967 1.00 0.00 N ATOM 997 CA ASN A 66 -17.512 -5.837 -2.283 1.00 0.00 C ATOM 998 C ASN A 66 -16.270 -5.241 -1.615 1.00 0.00 C ATOM 999 O ASN A 66 -16.321 -4.187 -1.013 1.00 0.00 O ATOM 1000 CB ASN A 66 -18.783 -5.211 -1.708 1.00 0.00 C ATOM 1001 CG ASN A 66 -19.094 -3.912 -2.451 1.00 0.00 C ATOM 1002 OD1 ASN A 66 -20.030 -3.850 -3.223 1.00 0.00 O ATOM 1003 ND2 ASN A 66 -18.344 -2.865 -2.250 1.00 0.00 N ATOM 0 H ASN A 66 -17.738 -7.511 -0.978 1.00 0.00 H new ATOM 0 HA ASN A 66 -17.413 -5.653 -3.353 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -19.618 -5.905 -1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -18.654 -5.012 -0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -18.543 -1.993 -2.741 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.558 -2.917 -1.602 1.00 0.00 H new ATOM 1010 N GLY A 67 -15.155 -5.909 -1.717 1.00 0.00 N ATOM 1011 CA GLY A 67 -13.910 -5.383 -1.090 1.00 0.00 C ATOM 1012 C GLY A 67 -13.034 -4.738 -2.163 1.00 0.00 C ATOM 1013 O GLY A 67 -12.274 -3.828 -1.894 1.00 0.00 O ATOM 0 H GLY A 67 -15.052 -6.797 -2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.158 -4.652 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.367 -6.191 -0.599 1.00 0.00 H new ATOM 1017 N GLY A 68 -13.125 -5.209 -3.375 1.00 0.00 N ATOM 1018 CA GLY A 68 -12.289 -4.631 -4.462 1.00 0.00 C ATOM 1019 C GLY A 68 -10.965 -5.391 -4.524 1.00 0.00 C ATOM 1020 O GLY A 68 -10.045 -5.005 -5.218 1.00 0.00 O ATOM 0 H GLY A 68 -13.742 -5.969 -3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.810 -4.702 -5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.108 -3.572 -4.276 1.00 0.00 H new ATOM 1024 N LEU A 69 -10.864 -6.474 -3.801 1.00 0.00 N ATOM 1025 CA LEU A 69 -9.605 -7.263 -3.814 1.00 0.00 C ATOM 1026 C LEU A 69 -9.494 -8.040 -5.119 1.00 0.00 C ATOM 1027 O LEU A 69 -9.458 -9.254 -5.140 1.00 0.00 O ATOM 1028 CB LEU A 69 -9.717 -8.210 -2.622 1.00 0.00 C ATOM 1029 CG LEU A 69 -9.478 -7.428 -1.333 1.00 0.00 C ATOM 1030 CD1 LEU A 69 -9.359 -8.401 -0.161 1.00 0.00 C ATOM 1031 CD2 LEU A 69 -8.184 -6.624 -1.457 1.00 0.00 C ATOM 0 H LEU A 69 -11.602 -6.844 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.717 -6.635 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.703 -8.673 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.988 -9.015 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.314 -6.750 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.188 -7.843 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.280 -8.976 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.523 -9.079 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.013 -6.065 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.349 -7.303 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.266 -5.929 -2.293 1.00 0.00 H new ATOM 1043 N THR A 70 -9.438 -7.335 -6.207 1.00 0.00 N ATOM 1044 CA THR A 70 -9.327 -8.007 -7.533 1.00 0.00 C ATOM 1045 C THR A 70 -7.858 -8.303 -7.850 1.00 0.00 C ATOM 1046 O THR A 70 -7.033 -7.414 -7.893 1.00 0.00 O ATOM 1047 CB THR A 70 -9.902 -7.002 -8.535 1.00 0.00 C ATOM 1048 OG1 THR A 70 -11.321 -7.026 -8.464 1.00 0.00 O ATOM 1049 CG2 THR A 70 -9.453 -7.369 -9.951 1.00 0.00 C ATOM 0 H THR A 70 -9.464 -6.316 -6.240 1.00 0.00 H new ATOM 0 HA THR A 70 -9.857 -8.959 -7.562 1.00 0.00 H new ATOM 0 HB THR A 70 -9.541 -6.002 -8.293 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.691 -6.382 -9.103 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.864 -6.651 -10.661 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.364 -7.349 -10.004 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.810 -8.369 -10.198 1.00 0.00 H new ATOM 1057 N ARG A 71 -7.524 -9.545 -8.072 1.00 0.00 N ATOM 1058 CA ARG A 71 -6.107 -9.883 -8.386 1.00 0.00 C ATOM 1059 C ARG A 71 -5.201 -9.476 -7.222 1.00 0.00 C ATOM 1060 O ARG A 71 -5.570 -9.586 -6.069 1.00 0.00 O ATOM 1061 CB ARG A 71 -5.777 -9.062 -9.634 1.00 0.00 C ATOM 1062 CG ARG A 71 -4.655 -9.746 -10.417 1.00 0.00 C ATOM 1063 CD ARG A 71 -3.877 -8.697 -11.215 1.00 0.00 C ATOM 1064 NE ARG A 71 -4.192 -8.990 -12.640 1.00 0.00 N ATOM 1065 CZ ARG A 71 -3.508 -8.422 -13.596 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -2.560 -7.570 -13.310 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -3.774 -8.705 -14.841 1.00 0.00 N ATOM 0 H ARG A 71 -8.167 -10.336 -8.050 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.959 -10.951 -8.547 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.663 -8.963 -10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.473 -8.055 -9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.986 -10.268 -9.733 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.071 -10.495 -11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.182 -7.687 -10.942 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.806 -8.769 -11.024 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.946 -9.637 -12.871 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.352 -7.346 -12.337 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.028 -7.128 -14.060 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.515 -9.369 -15.066 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.241 -8.263 -15.590 1.00 0.00 H new ATOM 1081 N ASN A 72 -4.023 -8.999 -7.512 1.00 0.00 N ATOM 1082 CA ASN A 72 -3.105 -8.581 -6.436 1.00 0.00 C ATOM 1083 C ASN A 72 -3.282 -7.080 -6.168 1.00 0.00 C ATOM 1084 O ASN A 72 -2.400 -6.282 -6.417 1.00 0.00 O ATOM 1085 CB ASN A 72 -1.708 -8.881 -6.981 1.00 0.00 C ATOM 1086 CG ASN A 72 -0.681 -8.143 -6.139 1.00 0.00 C ATOM 1087 OD1 ASN A 72 -1.009 -7.771 -4.938 1.00 0.00 O flip ATOM 1088 ND2 ASN A 72 0.428 -7.903 -6.574 1.00 0.00 N flip ATOM 0 H ASN A 72 -3.661 -8.883 -8.458 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.287 -9.097 -5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.516 -9.954 -6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.635 -8.569 -8.023 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.680 -8.197 -7.517 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.106 -7.407 -5.996 1.00 0.00 H new ATOM 1095 N TYR A 73 -4.419 -6.691 -5.661 1.00 0.00 N ATOM 1096 CA TYR A 73 -4.655 -5.246 -5.374 1.00 0.00 C ATOM 1097 C TYR A 73 -4.549 -4.987 -3.866 1.00 0.00 C ATOM 1098 O TYR A 73 -5.175 -5.652 -3.064 1.00 0.00 O ATOM 1099 CB TYR A 73 -6.081 -4.972 -5.863 1.00 0.00 C ATOM 1100 CG TYR A 73 -6.142 -5.036 -7.376 1.00 0.00 C ATOM 1101 CD1 TYR A 73 -4.979 -5.257 -8.127 1.00 0.00 C ATOM 1102 CD2 TYR A 73 -7.372 -4.876 -8.028 1.00 0.00 C ATOM 1103 CE1 TYR A 73 -5.047 -5.316 -9.525 1.00 0.00 C ATOM 1104 CE2 TYR A 73 -7.439 -4.935 -9.426 1.00 0.00 C ATOM 1105 CZ TYR A 73 -6.276 -5.156 -10.174 1.00 0.00 C ATOM 1106 OH TYR A 73 -6.343 -5.215 -11.551 1.00 0.00 O ATOM 0 H TYR A 73 -5.196 -7.311 -5.432 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.925 -4.602 -5.864 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.766 -5.703 -5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.407 -3.990 -5.521 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.030 -5.382 -7.627 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.270 -4.707 -7.452 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.150 -5.485 -10.102 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.388 -4.810 -9.927 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.271 -5.085 -11.839 1.00 0.00 H new ATOM 1116 N CYS A 74 -3.759 -4.026 -3.481 1.00 0.00 N ATOM 1117 CA CYS A 74 -3.597 -3.707 -2.031 1.00 0.00 C ATOM 1118 C CYS A 74 -4.873 -3.066 -1.482 1.00 0.00 C ATOM 1119 O CYS A 74 -5.465 -2.206 -2.104 1.00 0.00 O ATOM 1120 CB CYS A 74 -2.437 -2.715 -1.981 1.00 0.00 C ATOM 1121 SG CYS A 74 -1.982 -2.388 -0.261 1.00 0.00 S ATOM 0 H CYS A 74 -3.212 -3.441 -4.113 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.407 -4.596 -1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.581 -3.116 -2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.720 -1.785 -2.475 1.00 0.00 H new ATOM 1126 N ARG A 75 -5.297 -3.477 -0.320 1.00 0.00 N ATOM 1127 CA ARG A 75 -6.534 -2.895 0.274 1.00 0.00 C ATOM 1128 C ARG A 75 -6.363 -2.731 1.786 1.00 0.00 C ATOM 1129 O ARG A 75 -5.424 -3.233 2.371 1.00 0.00 O ATOM 1130 CB ARG A 75 -7.628 -3.914 -0.036 1.00 0.00 C ATOM 1131 CG ARG A 75 -8.592 -3.334 -1.074 1.00 0.00 C ATOM 1132 CD ARG A 75 -7.850 -3.110 -2.391 1.00 0.00 C ATOM 1133 NE ARG A 75 -8.839 -3.458 -3.447 1.00 0.00 N ATOM 1134 CZ ARG A 75 -9.522 -2.514 -4.035 1.00 0.00 C ATOM 1135 NH1 ARG A 75 -10.548 -1.980 -3.432 1.00 0.00 N ATOM 1136 NH2 ARG A 75 -9.176 -2.103 -5.224 1.00 0.00 N ATOM 0 H ARG A 75 -4.840 -4.192 0.246 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.768 -1.909 -0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.184 -4.836 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.169 -4.170 0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.430 -4.014 -1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.007 -2.393 -0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.516 -2.077 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.962 -3.739 -2.457 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.983 -4.433 -3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.816 -2.300 -2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.082 -1.242 -3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.372 -2.519 -5.694 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.710 -1.365 -5.684 1.00 0.00 H new ATOM 1150 N ASN A 76 -7.262 -2.032 2.424 1.00 0.00 N ATOM 1151 CA ASN A 76 -7.145 -1.839 3.897 1.00 0.00 C ATOM 1152 C ASN A 76 -8.430 -2.292 4.597 1.00 0.00 C ATOM 1153 O ASN A 76 -9.193 -1.480 5.081 1.00 0.00 O ATOM 1154 CB ASN A 76 -6.933 -0.338 4.087 1.00 0.00 C ATOM 1155 CG ASN A 76 -6.425 -0.070 5.505 1.00 0.00 C ATOM 1156 OD1 ASN A 76 -6.059 -0.985 6.215 1.00 0.00 O ATOM 1157 ND2 ASN A 76 -6.385 1.156 5.950 1.00 0.00 N ATOM 0 H ASN A 76 -8.071 -1.587 1.990 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.329 -2.423 4.324 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.215 0.034 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.868 0.196 3.917 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.047 1.345 6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.692 1.925 5.354 1.00 0.00 H new ATOM 1164 N PRO A 77 -8.621 -3.581 4.629 1.00 0.00 N ATOM 1165 CA PRO A 77 -9.822 -4.156 5.282 1.00 0.00 C ATOM 1166 C PRO A 77 -9.710 -4.014 6.802 1.00 0.00 C ATOM 1167 O PRO A 77 -10.622 -4.339 7.536 1.00 0.00 O ATOM 1168 CB PRO A 77 -9.787 -5.625 4.865 1.00 0.00 C ATOM 1169 CG PRO A 77 -8.349 -5.904 4.567 1.00 0.00 C ATOM 1170 CD PRO A 77 -7.747 -4.616 4.068 1.00 0.00 C ATOM 0 HA PRO A 77 -10.751 -3.663 4.995 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.158 -6.271 5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.414 -5.803 3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.830 -6.252 5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.255 -6.690 3.817 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.718 -4.498 4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.730 -4.578 2.979 1.00 0.00 H new ATOM 1178 N ASP A 78 -8.596 -3.524 7.277 1.00 0.00 N ATOM 1179 CA ASP A 78 -8.422 -3.353 8.747 1.00 0.00 C ATOM 1180 C ASP A 78 -8.572 -1.876 9.116 1.00 0.00 C ATOM 1181 O ASP A 78 -8.709 -1.524 10.272 1.00 0.00 O ATOM 1182 CB ASP A 78 -7.002 -3.842 9.040 1.00 0.00 C ATOM 1183 CG ASP A 78 -6.957 -5.369 8.942 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -7.505 -5.898 7.989 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -6.376 -5.982 9.822 1.00 0.00 O ATOM 0 H ASP A 78 -7.799 -3.235 6.710 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.164 -3.906 9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.301 -3.401 8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.694 -3.522 10.035 1.00 0.00 H new ATOM 1190 N ALA A 79 -8.551 -1.009 8.140 1.00 0.00 N ATOM 1191 CA ALA A 79 -8.698 0.447 8.428 1.00 0.00 C ATOM 1192 C ALA A 79 -7.517 0.949 9.263 1.00 0.00 C ATOM 1193 O ALA A 79 -7.686 1.700 10.203 1.00 0.00 O ATOM 1194 CB ALA A 79 -10.001 0.564 9.217 1.00 0.00 C ATOM 0 H ALA A 79 -8.438 -1.246 7.154 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.716 1.046 7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.182 1.609 9.468 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.827 0.188 8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.925 -0.022 10.133 1.00 0.00 H new ATOM 1200 N GLU A 80 -6.323 0.545 8.927 1.00 0.00 N ATOM 1201 CA GLU A 80 -5.136 1.008 9.706 1.00 0.00 C ATOM 1202 C GLU A 80 -4.543 2.251 9.043 1.00 0.00 C ATOM 1203 O GLU A 80 -5.186 2.908 8.249 1.00 0.00 O ATOM 1204 CB GLU A 80 -4.124 -0.145 9.661 1.00 0.00 C ATOM 1205 CG GLU A 80 -4.851 -1.492 9.680 1.00 0.00 C ATOM 1206 CD GLU A 80 -4.191 -2.421 10.703 1.00 0.00 C ATOM 1207 OE1 GLU A 80 -3.371 -1.941 11.468 1.00 0.00 O ATOM 1208 OE2 GLU A 80 -4.518 -3.596 10.703 1.00 0.00 O ATOM 0 H GLU A 80 -6.116 -0.083 8.150 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.399 1.266 10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.513 -0.067 8.762 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.447 -0.077 10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.901 -1.346 9.932 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.821 -1.946 8.690 1.00 0.00 H new ATOM 1215 N ILE A 81 -3.318 2.574 9.353 1.00 0.00 N ATOM 1216 CA ILE A 81 -2.691 3.769 8.724 1.00 0.00 C ATOM 1217 C ILE A 81 -2.936 3.739 7.216 1.00 0.00 C ATOM 1218 O ILE A 81 -3.042 4.761 6.568 1.00 0.00 O ATOM 1219 CB ILE A 81 -1.199 3.639 9.019 1.00 0.00 C ATOM 1220 CG1 ILE A 81 -0.720 2.236 8.646 1.00 0.00 C ATOM 1221 CG2 ILE A 81 -0.944 3.880 10.505 1.00 0.00 C ATOM 1222 CD1 ILE A 81 0.164 2.321 7.403 1.00 0.00 C ATOM 0 H ILE A 81 -2.727 2.065 10.011 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.099 4.704 9.107 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.654 4.378 8.432 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.163 1.797 9.474 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.574 1.586 8.456 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.122 3.786 10.711 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.279 4.882 10.774 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.493 3.144 11.092 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.508 1.323 7.133 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.409 2.743 6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.024 2.958 7.611 1.00 0.00 H new ATOM 1234 N SER A 82 -3.028 2.564 6.659 1.00 0.00 N ATOM 1235 CA SER A 82 -3.267 2.442 5.194 1.00 0.00 C ATOM 1236 C SER A 82 -3.515 0.977 4.827 1.00 0.00 C ATOM 1237 O SER A 82 -3.508 0.114 5.683 1.00 0.00 O ATOM 1238 CB SER A 82 -1.985 2.955 4.537 1.00 0.00 C ATOM 1239 OG SER A 82 -1.243 1.857 4.023 1.00 0.00 O ATOM 0 H SER A 82 -2.947 1.678 7.158 1.00 0.00 H new ATOM 0 HA SER A 82 -4.141 3.005 4.866 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.229 3.651 3.734 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.386 3.504 5.264 1.00 0.00 H new ATOM 0 HG SER A 82 -0.288 2.001 4.190 1.00 0.00 H new ATOM 1245 N PRO A 83 -3.735 0.746 3.563 1.00 0.00 N ATOM 1246 CA PRO A 83 -3.996 -0.630 3.079 1.00 0.00 C ATOM 1247 C PRO A 83 -2.710 -1.460 3.070 1.00 0.00 C ATOM 1248 O PRO A 83 -1.621 -0.942 2.918 1.00 0.00 O ATOM 1249 CB PRO A 83 -4.516 -0.417 1.661 1.00 0.00 C ATOM 1250 CG PRO A 83 -3.956 0.902 1.233 1.00 0.00 C ATOM 1251 CD PRO A 83 -3.761 1.732 2.477 1.00 0.00 C ATOM 0 HA PRO A 83 -4.697 -1.176 3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -4.190 -1.218 0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.606 -0.408 1.638 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.010 0.766 0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.634 1.401 0.541 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.833 2.303 2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.571 2.449 2.609 1.00 0.00 H new ATOM 1259 N TRP A 84 -2.834 -2.751 3.214 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.628 -3.629 3.196 1.00 0.00 C ATOM 1261 C TRP A 84 -1.808 -4.712 2.130 1.00 0.00 C ATOM 1262 O TRP A 84 -2.638 -4.584 1.252 1.00 0.00 O ATOM 1263 CB TRP A 84 -1.525 -4.237 4.600 1.00 0.00 C ATOM 1264 CG TRP A 84 -2.869 -4.691 5.076 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -3.864 -3.878 5.499 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -3.372 -6.052 5.204 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -4.949 -4.653 5.869 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -4.693 -6.000 5.706 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.815 -7.315 4.931 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -5.436 -7.160 5.930 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.560 -8.484 5.156 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -4.868 -8.406 5.654 1.00 0.00 C ATOM 0 H TRP A 84 -3.721 -3.238 3.344 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.717 -3.082 2.951 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.834 -5.080 4.588 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.117 -3.500 5.292 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -3.819 -2.800 5.541 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -5.830 -4.276 6.219 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.808 -7.386 4.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.443 -7.095 6.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -3.123 -9.449 4.944 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -5.436 -9.309 5.824 1.00 0.00 H new ATOM 1283 N CYS A 85 -1.043 -5.769 2.174 1.00 0.00 N ATOM 1284 CA CYS A 85 -1.207 -6.816 1.127 1.00 0.00 C ATOM 1285 C CYS A 85 -0.313 -8.024 1.411 1.00 0.00 C ATOM 1286 O CYS A 85 0.827 -7.887 1.810 1.00 0.00 O ATOM 1287 CB CYS A 85 -0.773 -6.125 -0.166 1.00 0.00 C ATOM 1288 SG CYS A 85 -1.683 -6.821 -1.563 1.00 0.00 S ATOM 0 H CYS A 85 -0.325 -5.951 2.875 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.227 -7.197 1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.958 -5.053 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.299 -6.254 -0.317 1.00 0.00 H new ATOM 1293 N TYR A 86 -0.818 -9.208 1.191 1.00 0.00 N ATOM 1294 CA TYR A 86 0.008 -10.424 1.430 1.00 0.00 C ATOM 1295 C TYR A 86 1.297 -10.331 0.608 1.00 0.00 C ATOM 1296 O TYR A 86 1.586 -9.310 0.018 1.00 0.00 O ATOM 1297 CB TYR A 86 -0.863 -11.590 0.956 1.00 0.00 C ATOM 1298 CG TYR A 86 -1.827 -11.963 2.057 1.00 0.00 C ATOM 1299 CD1 TYR A 86 -1.345 -12.532 3.240 1.00 0.00 C ATOM 1300 CD2 TYR A 86 -3.198 -11.729 1.901 1.00 0.00 C ATOM 1301 CE1 TYR A 86 -2.231 -12.866 4.270 1.00 0.00 C ATOM 1302 CE2 TYR A 86 -4.087 -12.067 2.930 1.00 0.00 C ATOM 1303 CZ TYR A 86 -3.602 -12.634 4.116 1.00 0.00 C ATOM 1304 OH TYR A 86 -4.474 -12.960 5.135 1.00 0.00 O ATOM 0 H TYR A 86 -1.765 -9.385 0.857 1.00 0.00 H new ATOM 0 HA TYR A 86 0.300 -10.544 2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -1.410 -11.310 0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.239 -12.445 0.696 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -0.287 -12.714 3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.571 -11.288 0.988 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.857 -13.303 5.184 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.146 -11.891 2.809 1.00 0.00 H new ATOM 0 HH TYR A 86 -4.945 -12.154 5.433 1.00 0.00 H new ATOM 1314 N THR A 87 2.076 -11.377 0.561 1.00 0.00 N ATOM 1315 CA THR A 87 3.342 -11.321 -0.233 1.00 0.00 C ATOM 1316 C THR A 87 3.412 -12.475 -1.232 1.00 0.00 C ATOM 1317 O THR A 87 3.167 -13.615 -0.895 1.00 0.00 O ATOM 1318 CB THR A 87 4.471 -11.463 0.784 1.00 0.00 C ATOM 1319 OG1 THR A 87 3.970 -12.072 1.961 1.00 0.00 O ATOM 1320 CG2 THR A 87 5.046 -10.089 1.114 1.00 0.00 C ATOM 0 H THR A 87 1.895 -12.263 1.033 1.00 0.00 H new ATOM 0 HA THR A 87 3.406 -10.394 -0.802 1.00 0.00 H new ATOM 0 HB THR A 87 5.261 -12.085 0.364 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.253 -13.010 1.990 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.851 -10.197 1.840 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.436 -9.630 0.205 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.262 -9.457 1.532 1.00 0.00 H new ATOM 1328 N MET A 88 3.776 -12.188 -2.452 1.00 0.00 N ATOM 1329 CA MET A 88 3.895 -13.264 -3.480 1.00 0.00 C ATOM 1330 C MET A 88 5.124 -14.147 -3.211 1.00 0.00 C ATOM 1331 O MET A 88 5.515 -14.937 -4.047 1.00 0.00 O ATOM 1332 CB MET A 88 4.061 -12.517 -4.804 1.00 0.00 C ATOM 1333 CG MET A 88 3.310 -13.263 -5.909 1.00 0.00 C ATOM 1334 SD MET A 88 4.500 -14.057 -7.018 1.00 0.00 S ATOM 1335 CE MET A 88 4.195 -13.013 -8.464 1.00 0.00 C ATOM 0 H MET A 88 3.998 -11.249 -2.784 1.00 0.00 H new ATOM 0 HA MET A 88 3.030 -13.927 -3.478 1.00 0.00 H new ATOM 0 HB2 MET A 88 3.677 -11.501 -4.711 1.00 0.00 H new ATOM 0 HB3 MET A 88 5.118 -12.437 -5.058 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.648 -14.011 -5.472 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.682 -12.570 -6.468 1.00 0.00 H new ATOM 0 HE1 MET A 88 4.308 -13.606 -9.371 1.00 0.00 H new ATOM 0 HE2 MET A 88 3.182 -12.613 -8.417 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.910 -12.191 -8.476 1.00 0.00 H new ATOM 1345 N ASP A 89 5.737 -14.032 -2.058 1.00 0.00 N ATOM 1346 CA ASP A 89 6.922 -14.873 -1.767 1.00 0.00 C ATOM 1347 C ASP A 89 6.669 -15.694 -0.503 1.00 0.00 C ATOM 1348 O ASP A 89 6.024 -15.239 0.420 1.00 0.00 O ATOM 1349 CB ASP A 89 8.069 -13.885 -1.545 1.00 0.00 C ATOM 1350 CG ASP A 89 8.444 -13.224 -2.873 1.00 0.00 C ATOM 1351 OD1 ASP A 89 7.787 -13.510 -3.861 1.00 0.00 O ATOM 1352 OD2 ASP A 89 9.382 -12.443 -2.879 1.00 0.00 O ATOM 0 H ASP A 89 5.463 -13.392 -1.313 1.00 0.00 H new ATOM 0 HA ASP A 89 7.145 -15.574 -2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.773 -13.126 -0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.933 -14.403 -1.129 1.00 0.00 H new ATOM 1357 N PRO A 90 7.195 -16.880 -0.512 1.00 0.00 N ATOM 1358 CA PRO A 90 7.046 -17.798 0.643 1.00 0.00 C ATOM 1359 C PRO A 90 7.957 -17.373 1.799 1.00 0.00 C ATOM 1360 O PRO A 90 8.090 -18.071 2.785 1.00 0.00 O ATOM 1361 CB PRO A 90 7.479 -19.148 0.079 1.00 0.00 C ATOM 1362 CG PRO A 90 8.387 -18.820 -1.067 1.00 0.00 C ATOM 1363 CD PRO A 90 7.971 -17.472 -1.600 1.00 0.00 C ATOM 0 HA PRO A 90 6.035 -17.810 1.050 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.995 -19.743 0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.620 -19.730 -0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.426 -18.799 -0.739 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.313 -19.580 -1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.836 -16.859 -1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.375 -17.569 -2.507 1.00 0.00 H new ATOM 1371 N ASN A 91 8.575 -16.230 1.694 1.00 0.00 N ATOM 1372 CA ASN A 91 9.462 -15.758 2.790 1.00 0.00 C ATOM 1373 C ASN A 91 8.773 -14.623 3.544 1.00 0.00 C ATOM 1374 O ASN A 91 9.279 -14.118 4.527 1.00 0.00 O ATOM 1375 CB ASN A 91 10.725 -15.253 2.093 1.00 0.00 C ATOM 1376 CG ASN A 91 11.888 -16.198 2.396 1.00 0.00 C ATOM 1377 OD1 ASN A 91 12.731 -15.899 3.218 1.00 0.00 O ATOM 1378 ND2 ASN A 91 11.970 -17.335 1.762 1.00 0.00 N ATOM 0 H ASN A 91 8.503 -15.602 0.894 1.00 0.00 H new ATOM 0 HA ASN A 91 9.691 -16.540 3.513 1.00 0.00 H new ATOM 0 HB2 ASN A 91 10.561 -15.195 1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.963 -14.245 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 91 12.742 -17.973 1.956 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.262 -17.586 1.072 1.00 0.00 H new ATOM 1385 N VAL A 92 7.620 -14.216 3.086 1.00 0.00 N ATOM 1386 CA VAL A 92 6.898 -13.114 3.768 1.00 0.00 C ATOM 1387 C VAL A 92 5.417 -13.467 3.916 1.00 0.00 C ATOM 1388 O VAL A 92 4.791 -13.945 2.991 1.00 0.00 O ATOM 1389 CB VAL A 92 7.073 -11.908 2.843 1.00 0.00 C ATOM 1390 CG1 VAL A 92 6.461 -10.671 3.502 1.00 0.00 C ATOM 1391 CG2 VAL A 92 8.565 -11.668 2.603 1.00 0.00 C ATOM 0 H VAL A 92 7.150 -14.602 2.268 1.00 0.00 H new ATOM 0 HA VAL A 92 7.279 -12.922 4.771 1.00 0.00 H new ATOM 0 HB VAL A 92 6.575 -12.100 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.584 -9.810 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.399 -10.842 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.962 -10.478 4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.694 -10.809 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 92 9.060 -11.473 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 92 9.005 -12.551 2.139 1.00 0.00 H new ATOM 1401 N ARG A 93 4.846 -13.231 5.064 1.00 0.00 N ATOM 1402 CA ARG A 93 3.408 -13.539 5.251 1.00 0.00 C ATOM 1403 C ARG A 93 2.576 -12.451 4.568 1.00 0.00 C ATOM 1404 O ARG A 93 1.783 -12.713 3.686 1.00 0.00 O ATOM 1405 CB ARG A 93 3.187 -13.523 6.766 1.00 0.00 C ATOM 1406 CG ARG A 93 1.868 -14.223 7.101 1.00 0.00 C ATOM 1407 CD ARG A 93 1.429 -13.830 8.514 1.00 0.00 C ATOM 1408 NE ARG A 93 -0.015 -13.487 8.387 1.00 0.00 N ATOM 1409 CZ ARG A 93 -0.803 -13.592 9.423 1.00 0.00 C ATOM 1410 NH1 ARG A 93 -0.792 -12.671 10.347 1.00 0.00 N ATOM 1411 NH2 ARG A 93 -1.602 -14.618 9.534 1.00 0.00 N ATOM 0 H ARG A 93 5.316 -12.838 5.879 1.00 0.00 H new ATOM 0 HA ARG A 93 3.117 -14.497 4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.014 -14.024 7.269 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.168 -12.496 7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.101 -13.943 6.379 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.990 -15.304 7.033 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.580 -14.650 9.217 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.005 -12.982 8.885 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.388 -13.170 7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.168 -11.869 10.260 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.408 -12.753 11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.611 -15.338 8.811 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.217 -14.700 10.343 1.00 0.00 H new ATOM 1425 N TRP A 94 2.781 -11.225 4.963 1.00 0.00 N ATOM 1426 CA TRP A 94 2.040 -10.090 4.342 1.00 0.00 C ATOM 1427 C TRP A 94 2.871 -8.816 4.502 1.00 0.00 C ATOM 1428 O TRP A 94 3.891 -8.820 5.162 1.00 0.00 O ATOM 1429 CB TRP A 94 0.722 -9.994 5.114 1.00 0.00 C ATOM 1430 CG TRP A 94 0.974 -9.425 6.472 1.00 0.00 C ATOM 1431 CD1 TRP A 94 1.248 -10.151 7.579 1.00 0.00 C ATOM 1432 CD2 TRP A 94 0.977 -8.029 6.886 1.00 0.00 C ATOM 1433 NE1 TRP A 94 1.423 -9.289 8.647 1.00 0.00 N ATOM 1434 CE2 TRP A 94 1.265 -7.971 8.270 1.00 0.00 C ATOM 1435 CE3 TRP A 94 0.760 -6.820 6.202 1.00 0.00 C ATOM 1436 CZ2 TRP A 94 1.336 -6.755 8.951 1.00 0.00 C ATOM 1437 CZ3 TRP A 94 0.830 -5.594 6.884 1.00 0.00 C ATOM 1438 CH2 TRP A 94 1.117 -5.563 8.256 1.00 0.00 C ATOM 0 H TRP A 94 3.437 -10.958 5.697 1.00 0.00 H new ATOM 0 HA TRP A 94 1.854 -10.230 3.277 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.016 -9.365 4.571 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.268 -10.981 5.201 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.319 -11.228 7.623 1.00 0.00 H new ATOM 0 HE1 TRP A 94 1.642 -9.591 9.596 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.538 -6.834 5.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 1.559 -6.736 10.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 0.662 -4.671 6.349 1.00 0.00 H new ATOM 0 HH2 TRP A 94 1.169 -4.618 8.776 1.00 0.00 H new ATOM 1449 N GLU A 95 2.470 -7.726 3.906 1.00 0.00 N ATOM 1450 CA GLU A 95 3.287 -6.487 4.052 1.00 0.00 C ATOM 1451 C GLU A 95 2.457 -5.236 3.766 1.00 0.00 C ATOM 1452 O GLU A 95 1.632 -5.212 2.874 1.00 0.00 O ATOM 1453 CB GLU A 95 4.404 -6.630 3.018 1.00 0.00 C ATOM 1454 CG GLU A 95 5.398 -5.477 3.175 1.00 0.00 C ATOM 1455 CD GLU A 95 6.211 -5.675 4.455 1.00 0.00 C ATOM 1456 OE1 GLU A 95 5.686 -5.387 5.518 1.00 0.00 O ATOM 1457 OE2 GLU A 95 7.346 -6.111 4.351 1.00 0.00 O ATOM 0 H GLU A 95 1.629 -7.639 3.335 1.00 0.00 H new ATOM 0 HA GLU A 95 3.668 -6.375 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.914 -7.584 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.985 -6.628 2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.063 -5.436 2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.866 -4.527 3.213 1.00 0.00 H new ATOM 1464 N TYR A 96 2.688 -4.187 4.507 1.00 0.00 N ATOM 1465 CA TYR A 96 1.932 -2.928 4.273 1.00 0.00 C ATOM 1466 C TYR A 96 2.277 -2.385 2.885 1.00 0.00 C ATOM 1467 O TYR A 96 3.202 -2.843 2.244 1.00 0.00 O ATOM 1468 CB TYR A 96 2.417 -1.968 5.362 1.00 0.00 C ATOM 1469 CG TYR A 96 1.352 -1.818 6.423 1.00 0.00 C ATOM 1470 CD1 TYR A 96 0.086 -1.329 6.080 1.00 0.00 C ATOM 1471 CD2 TYR A 96 1.632 -2.166 7.750 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -0.900 -1.188 7.063 1.00 0.00 C ATOM 1473 CE2 TYR A 96 0.646 -2.025 8.734 1.00 0.00 C ATOM 1474 CZ TYR A 96 -0.621 -1.536 8.390 1.00 0.00 C ATOM 1475 OH TYR A 96 -1.594 -1.397 9.359 1.00 0.00 O ATOM 0 H TYR A 96 3.369 -4.149 5.265 1.00 0.00 H new ATOM 0 HA TYR A 96 0.852 -3.067 4.313 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.337 -2.345 5.808 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.649 -0.996 4.926 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.130 -1.060 5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.609 -2.543 8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.877 -0.811 6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.862 -2.293 9.758 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.549 -2.155 9.979 1.00 0.00 H new ATOM 1485 N CYS A 97 1.549 -1.416 2.414 1.00 0.00 N ATOM 1486 CA CYS A 97 1.850 -0.857 1.067 1.00 0.00 C ATOM 1487 C CYS A 97 2.500 0.522 1.205 1.00 0.00 C ATOM 1488 O CYS A 97 2.160 1.291 2.081 1.00 0.00 O ATOM 1489 CB CYS A 97 0.492 -0.756 0.372 1.00 0.00 C ATOM 1490 SG CYS A 97 0.038 -2.381 -0.286 1.00 0.00 S ATOM 0 H CYS A 97 0.761 -0.987 2.899 1.00 0.00 H new ATOM 0 HA CYS A 97 2.547 -1.476 0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -0.265 -0.411 1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 97 0.536 -0.023 -0.434 1.00 0.00 H new ATOM 1495 N ASN A 98 3.438 0.837 0.349 1.00 0.00 N ATOM 1496 CA ASN A 98 4.113 2.169 0.432 1.00 0.00 C ATOM 1497 C ASN A 98 3.074 3.288 0.400 1.00 0.00 C ATOM 1498 O ASN A 98 2.808 3.863 -0.636 1.00 0.00 O ATOM 1499 CB ASN A 98 4.995 2.251 -0.814 1.00 0.00 C ATOM 1500 CG ASN A 98 6.183 1.299 -0.671 1.00 0.00 C ATOM 1501 OD1 ASN A 98 6.319 0.316 -1.518 1.00 0.00 O flip ATOM 1502 ND2 ASN A 98 6.996 1.452 0.219 1.00 0.00 N flip ATOM 0 H ASN A 98 3.766 0.231 -0.403 1.00 0.00 H new ATOM 0 HA ASN A 98 4.686 2.277 1.353 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.414 1.992 -1.699 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.350 3.272 -0.953 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.889 2.221 0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.785 0.812 0.304 1.00 0.00 H new ATOM 1509 N LEU A 99 2.476 3.603 1.515 1.00 0.00 N ATOM 1510 CA LEU A 99 1.452 4.680 1.512 1.00 0.00 C ATOM 1511 C LEU A 99 1.577 5.557 2.760 1.00 0.00 C ATOM 1512 O LEU A 99 2.038 5.129 3.800 1.00 0.00 O ATOM 1513 CB LEU A 99 0.112 3.948 1.497 1.00 0.00 C ATOM 1514 CG LEU A 99 0.023 3.063 0.254 1.00 0.00 C ATOM 1515 CD1 LEU A 99 -1.212 2.171 0.358 1.00 0.00 C ATOM 1516 CD2 LEU A 99 -0.091 3.944 -0.993 1.00 0.00 C ATOM 0 H LEU A 99 2.651 3.165 2.419 1.00 0.00 H new ATOM 0 HA LEU A 99 1.565 5.347 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.008 3.341 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.707 4.668 1.502 1.00 0.00 H new ATOM 0 HG LEU A 99 0.918 2.445 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.279 1.538 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.135 1.545 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.105 2.792 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.154 3.313 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.987 4.561 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.787 4.586 -1.067 1.00 0.00 H new ATOM 1528 N THR A 100 1.160 6.784 2.648 1.00 0.00 N ATOM 1529 CA THR A 100 1.225 7.727 3.784 1.00 0.00 C ATOM 1530 C THR A 100 0.270 8.884 3.505 1.00 0.00 C ATOM 1531 O THR A 100 -0.089 9.135 2.372 1.00 0.00 O ATOM 1532 CB THR A 100 2.662 8.223 3.803 1.00 0.00 C ATOM 1533 OG1 THR A 100 3.148 8.307 2.471 1.00 0.00 O ATOM 1534 CG2 THR A 100 3.530 7.257 4.610 1.00 0.00 C ATOM 0 H THR A 100 0.768 7.178 1.793 1.00 0.00 H new ATOM 0 HA THR A 100 0.946 7.275 4.736 1.00 0.00 H new ATOM 0 HB THR A 100 2.701 9.209 4.266 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.074 8.628 2.480 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.559 7.616 4.622 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.155 7.198 5.632 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.495 6.268 4.153 1.00 0.00 H new ATOM 1542 N GLN A 101 -0.141 9.600 4.505 1.00 0.00 N ATOM 1543 CA GLN A 101 -1.064 10.736 4.241 1.00 0.00 C ATOM 1544 C GLN A 101 -0.477 11.602 3.121 1.00 0.00 C ATOM 1545 O GLN A 101 0.367 12.443 3.354 1.00 0.00 O ATOM 1546 CB GLN A 101 -1.139 11.511 5.556 1.00 0.00 C ATOM 1547 CG GLN A 101 -2.396 11.089 6.320 1.00 0.00 C ATOM 1548 CD GLN A 101 -2.192 11.332 7.816 1.00 0.00 C ATOM 1549 OE1 GLN A 101 -1.246 10.841 8.399 1.00 0.00 O ATOM 1550 NE2 GLN A 101 -3.045 12.075 8.467 1.00 0.00 N ATOM 0 H GLN A 101 0.115 9.454 5.481 1.00 0.00 H new ATOM 0 HA GLN A 101 -2.056 10.416 3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -0.251 11.316 6.158 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -1.162 12.583 5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -3.257 11.654 5.964 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -2.608 10.035 6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -3.839 12.487 7.978 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -2.917 12.243 9.465 1.00 0.00 H new ATOM 1559 N CYS A 102 -0.905 11.379 1.903 1.00 0.00 N ATOM 1560 CA CYS A 102 -0.361 12.166 0.755 1.00 0.00 C ATOM 1561 C CYS A 102 -0.130 13.627 1.157 1.00 0.00 C ATOM 1562 O CYS A 102 -1.068 14.357 1.406 1.00 0.00 O ATOM 1563 CB CYS A 102 -1.427 12.080 -0.338 1.00 0.00 C ATOM 1564 SG CYS A 102 -1.727 10.347 -0.764 1.00 0.00 S ATOM 0 H CYS A 102 -1.609 10.684 1.655 1.00 0.00 H new ATOM 0 HA CYS A 102 0.600 11.775 0.422 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.351 12.545 0.005 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.101 12.630 -1.221 1.00 0.00 H new