USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 549 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 78 SER OG : rot 61:sc= 1.32 USER MOD Set 1.2: A 82 LYS NZ :NH3+ 177:sc= 0.938 (180deg=0.71) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0.0652 USER MOD Set 2.2: A 57 GLN : amide:sc= -1.81 K(o=-1.7,f=-0.99) USER MOD Set 2.3: A 74 THR OG1 : rot 129:sc= 0.0506 USER MOD Set 3.1: A 68 LYS NZ :NH3+ -165:sc= -0.283! (180deg=-2.88!) USER MOD Set 3.2: A 70 TYR OH : rot 180:sc= 0.811 USER MOD Single : A 27 MET CE :methyl -159:sc= 0 (180deg=-0.104) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 134:sc= 0.68 USER MOD Single : A 35 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-0.5) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 145:sc= -1.17 (180deg=-3.27!) USER MOD Single : A 76 SER OG : rot -25:sc= 0.0662 USER MOD Single : A 80 CYS SG : rot -84:sc= -1.3! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.063) USER MOD Single : A 89 ASN : amide:sc= -4.03! K(o=-4!,f=-1.3) USER MOD Single : A 98 MET CE :methyl -109:sc= -1.19 (180deg=-3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -14.009 2.540 -5.942 1.00 0.00 N ATOM 360 CA PRO A 26 -12.662 2.929 -5.483 1.00 0.00 C ATOM 361 C PRO A 26 -12.458 2.742 -3.967 1.00 0.00 C ATOM 362 O PRO A 26 -13.225 3.263 -3.153 1.00 0.00 O ATOM 363 CB PRO A 26 -12.582 4.414 -5.865 1.00 0.00 C ATOM 364 CG PRO A 26 -13.999 4.884 -5.838 1.00 0.00 C ATOM 365 CD PRO A 26 -14.830 3.714 -6.303 1.00 0.00 C ATOM 0 HA PRO A 26 -11.887 2.310 -5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.965 4.972 -5.161 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.139 4.547 -6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.289 5.195 -4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.137 5.746 -6.491 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.802 3.691 -5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.018 3.757 -7.376 1.00 0.00 H new ATOM 373 N MET A 27 -11.411 2.008 -3.596 1.00 0.00 N ATOM 374 CA MET A 27 -11.125 1.721 -2.187 1.00 0.00 C ATOM 375 C MET A 27 -9.683 2.109 -1.812 1.00 0.00 C ATOM 376 O MET A 27 -8.725 1.664 -2.444 1.00 0.00 O ATOM 377 CB MET A 27 -11.366 0.230 -1.904 1.00 0.00 C ATOM 378 CG MET A 27 -11.227 -0.157 -0.437 1.00 0.00 C ATOM 379 SD MET A 27 -11.632 -1.890 -0.132 1.00 0.00 S ATOM 380 CE MET A 27 -11.476 -1.973 1.653 1.00 0.00 C ATOM 0 H MET A 27 -10.744 1.599 -4.251 1.00 0.00 H new ATOM 0 HA MET A 27 -11.797 2.322 -1.574 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.366 -0.036 -2.245 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.662 -0.359 -2.492 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.205 0.036 -0.110 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.879 0.476 0.165 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.324 -3.009 1.957 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.624 -1.373 1.972 1.00 0.00 H new ATOM 0 HE3 MET A 27 -12.385 -1.588 2.116 1.00 0.00 H new ATOM 390 N ARG A 28 -9.542 2.934 -0.775 1.00 0.00 N ATOM 391 CA ARG A 28 -8.224 3.386 -0.306 1.00 0.00 C ATOM 392 C ARG A 28 -7.748 2.565 0.907 1.00 0.00 C ATOM 393 O ARG A 28 -8.528 2.247 1.808 1.00 0.00 O ATOM 394 CB ARG A 28 -8.277 4.891 0.017 1.00 0.00 C ATOM 395 CG ARG A 28 -7.118 5.409 0.867 1.00 0.00 C ATOM 396 CD ARG A 28 -6.899 6.915 0.685 1.00 0.00 C ATOM 397 NE ARG A 28 -8.149 7.679 0.592 1.00 0.00 N ATOM 398 CZ ARG A 28 -8.201 8.984 0.491 1.00 0.00 C ATOM 399 NH1 ARG A 28 -7.125 9.698 0.578 1.00 0.00 N ATOM 400 NH2 ARG A 28 -9.335 9.581 0.335 1.00 0.00 N ATOM 0 H ARG A 28 -10.326 3.307 -0.239 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.495 3.226 -1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.298 5.448 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.212 5.103 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.316 5.196 1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.206 4.875 0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.312 7.293 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.311 7.083 -0.218 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.029 7.163 0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.223 9.245 0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.179 10.713 0.498 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.196 9.036 0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.370 10.597 0.257 1.00 0.00 H new ATOM 414 N LEU A 29 -6.460 2.211 0.908 1.00 0.00 N ATOM 415 CA LEU A 29 -5.894 1.300 1.913 1.00 0.00 C ATOM 416 C LEU A 29 -4.815 1.982 2.777 1.00 0.00 C ATOM 417 O LEU A 29 -4.073 2.839 2.300 1.00 0.00 O ATOM 418 CB LEU A 29 -5.272 0.079 1.214 1.00 0.00 C ATOM 419 CG LEU A 29 -6.132 -0.581 0.120 1.00 0.00 C ATOM 420 CD1 LEU A 29 -5.411 -1.786 -0.478 1.00 0.00 C ATOM 421 CD2 LEU A 29 -7.502 -0.976 0.664 1.00 0.00 C ATOM 0 H LEU A 29 -5.784 2.543 0.220 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.710 0.995 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.324 0.383 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.043 -0.671 1.971 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.289 0.149 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.035 -2.238 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.467 -1.464 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.215 -2.518 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.089 -1.440 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.378 -1.683 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.020 -0.088 1.026 1.00 0.00 H new ATOM 433 N TYR A 30 -4.731 1.579 4.042 1.00 0.00 N ATOM 434 CA TYR A 30 -3.688 2.055 4.961 1.00 0.00 C ATOM 435 C TYR A 30 -2.445 1.149 4.900 1.00 0.00 C ATOM 436 O TYR A 30 -2.517 -0.031 5.243 1.00 0.00 O ATOM 437 CB TYR A 30 -4.253 2.094 6.393 1.00 0.00 C ATOM 438 CG TYR A 30 -3.221 2.299 7.491 1.00 0.00 C ATOM 439 CD1 TYR A 30 -2.774 3.569 7.832 1.00 0.00 C ATOM 440 CD2 TYR A 30 -2.700 1.212 8.192 1.00 0.00 C ATOM 441 CE1 TYR A 30 -1.843 3.752 8.837 1.00 0.00 C ATOM 442 CE2 TYR A 30 -1.772 1.389 9.198 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.345 2.659 9.517 1.00 0.00 C ATOM 444 OH TYR A 30 -0.420 2.836 10.521 1.00 0.00 O ATOM 0 H TYR A 30 -5.380 0.915 4.463 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.384 3.058 4.662 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.989 2.895 6.454 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.782 1.160 6.583 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.160 4.428 7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.029 0.214 7.943 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.506 4.747 9.089 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.382 0.535 9.733 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.175 1.965 10.897 1.00 0.00 H new ATOM 454 N VAL A 31 -1.319 1.704 4.447 1.00 0.00 N ATOM 455 CA VAL A 31 -0.051 0.963 4.383 1.00 0.00 C ATOM 456 C VAL A 31 0.964 1.519 5.401 1.00 0.00 C ATOM 457 O VAL A 31 1.620 2.534 5.157 1.00 0.00 O ATOM 458 CB VAL A 31 0.558 1.021 2.958 1.00 0.00 C ATOM 459 CG1 VAL A 31 1.855 0.215 2.876 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.451 0.531 1.920 1.00 0.00 C ATOM 0 H VAL A 31 -1.256 2.667 4.117 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.268 -0.076 4.630 1.00 0.00 H new ATOM 0 HB VAL A 31 0.799 2.061 2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.257 0.275 1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.581 0.621 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.652 -0.827 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.004 0.580 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.730 -0.499 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.339 1.162 1.950 1.00 0.00 H new ATOM 470 N GLY A 32 1.078 0.854 6.550 1.00 0.00 N ATOM 471 CA GLY A 32 1.963 1.321 7.616 1.00 0.00 C ATOM 472 C GLY A 32 3.240 0.495 7.762 1.00 0.00 C ATOM 473 O GLY A 32 3.239 -0.550 8.410 1.00 0.00 O ATOM 0 H GLY A 32 0.572 -0.005 6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.233 2.359 7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.420 1.303 8.561 1.00 0.00 H new ATOM 477 N SER A 33 4.325 0.965 7.144 1.00 0.00 N ATOM 478 CA SER A 33 5.661 0.347 7.314 1.00 0.00 C ATOM 479 C SER A 33 6.777 1.146 6.602 1.00 0.00 C ATOM 480 O SER A 33 7.925 0.699 6.526 1.00 0.00 O ATOM 481 CB SER A 33 5.661 -1.098 6.789 1.00 0.00 C ATOM 482 OG SER A 33 6.892 -1.751 7.059 1.00 0.00 O ATOM 0 H SER A 33 4.315 1.771 6.519 1.00 0.00 H new ATOM 0 HA SER A 33 5.871 0.354 8.384 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.845 -1.654 7.251 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.478 -1.096 5.715 1.00 0.00 H new ATOM 0 HG SER A 33 6.716 -2.646 7.417 1.00 0.00 H new ATOM 488 N LEU A 34 6.459 2.349 6.120 1.00 0.00 N ATOM 489 CA LEU A 34 7.394 3.125 5.293 1.00 0.00 C ATOM 490 C LEU A 34 8.591 3.617 6.121 1.00 0.00 C ATOM 491 O LEU A 34 8.528 4.671 6.756 1.00 0.00 O ATOM 492 CB LEU A 34 6.668 4.321 4.653 1.00 0.00 C ATOM 493 CG LEU A 34 5.292 4.014 4.031 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.737 5.248 3.325 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.372 2.833 3.069 1.00 0.00 C ATOM 0 H LEU A 34 5.564 2.809 6.286 1.00 0.00 H new ATOM 0 HA LEU A 34 7.771 2.472 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.539 5.092 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.311 4.740 3.879 1.00 0.00 H new ATOM 0 HG LEU A 34 4.612 3.741 4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.765 5.013 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.627 6.060 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.422 5.554 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.386 2.641 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.072 3.064 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.715 1.949 3.606 1.00 0.00 H new ATOM 507 N HIS A 35 9.682 2.846 6.127 1.00 0.00 N ATOM 508 CA HIS A 35 10.851 3.178 6.956 1.00 0.00 C ATOM 509 C HIS A 35 11.705 4.322 6.364 1.00 0.00 C ATOM 510 O HIS A 35 12.820 4.104 5.891 1.00 0.00 O ATOM 511 CB HIS A 35 11.709 1.922 7.228 1.00 0.00 C ATOM 512 CG HIS A 35 12.414 1.329 6.034 1.00 0.00 C ATOM 513 ND1 HIS A 35 13.476 0.464 6.156 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.218 1.480 4.700 1.00 0.00 C ATOM 515 CE1 HIS A 35 13.902 0.111 4.963 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.158 0.712 4.058 1.00 0.00 N ATOM 0 H HIS A 35 9.783 1.995 5.574 1.00 0.00 H new ATOM 0 HA HIS A 35 10.465 3.546 7.907 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.458 2.174 7.978 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.067 1.156 7.663 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.462 2.091 4.230 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.724 -0.559 4.760 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.263 0.622 3.047 1.00 0.00 H new ATOM 525 N PHE A 36 11.149 5.535 6.371 1.00 0.00 N ATOM 526 CA PHE A 36 11.884 6.756 5.985 1.00 0.00 C ATOM 527 C PHE A 36 12.555 6.638 4.591 1.00 0.00 C ATOM 528 O PHE A 36 13.672 7.110 4.387 1.00 0.00 O ATOM 529 CB PHE A 36 12.928 7.079 7.075 1.00 0.00 C ATOM 530 CG PHE A 36 13.573 8.441 6.949 1.00 0.00 C ATOM 531 CD1 PHE A 36 12.845 9.596 7.197 1.00 0.00 C ATOM 532 CD2 PHE A 36 14.911 8.562 6.595 1.00 0.00 C ATOM 533 CE1 PHE A 36 13.438 10.840 7.095 1.00 0.00 C ATOM 534 CE2 PHE A 36 15.505 9.802 6.489 1.00 0.00 C ATOM 535 CZ PHE A 36 14.768 10.942 6.740 1.00 0.00 C ATOM 0 H PHE A 36 10.181 5.706 6.642 1.00 0.00 H new ATOM 0 HA PHE A 36 11.166 7.572 5.904 1.00 0.00 H new ATOM 0 HB2 PHE A 36 12.448 7.008 8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.708 6.319 7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.803 9.522 7.473 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.493 7.674 6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.861 11.732 7.293 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.545 9.881 6.210 1.00 0.00 H new ATOM 0 HZ PHE A 36 15.232 11.914 6.659 1.00 0.00 H new ATOM 545 N ASN A 37 11.864 6.020 3.626 1.00 0.00 N ATOM 546 CA ASN A 37 12.398 5.928 2.251 1.00 0.00 C ATOM 547 C ASN A 37 11.373 5.380 1.239 1.00 0.00 C ATOM 548 O ASN A 37 11.400 5.741 0.063 1.00 0.00 O ATOM 549 CB ASN A 37 13.664 5.061 2.224 1.00 0.00 C ATOM 550 CG ASN A 37 14.353 5.070 0.870 1.00 0.00 C ATOM 551 OD1 ASN A 37 14.278 6.041 0.126 1.00 0.00 O ATOM 552 ND2 ASN A 37 15.034 3.991 0.541 1.00 0.00 N ATOM 0 H ASN A 37 10.952 5.583 3.761 1.00 0.00 H new ATOM 0 HA ASN A 37 12.637 6.947 1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.360 5.418 2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.403 4.036 2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.518 3.947 -0.356 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.077 3.199 1.183 1.00 0.00 H new ATOM 559 N ILE A 38 10.481 4.502 1.690 1.00 0.00 N ATOM 560 CA ILE A 38 9.489 3.893 0.793 1.00 0.00 C ATOM 561 C ILE A 38 8.516 4.949 0.234 1.00 0.00 C ATOM 562 O ILE A 38 7.531 5.310 0.877 1.00 0.00 O ATOM 563 CB ILE A 38 8.690 2.772 1.504 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.641 1.773 2.188 1.00 0.00 C ATOM 565 CG2 ILE A 38 7.779 2.052 0.509 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.595 1.075 1.240 1.00 0.00 C ATOM 0 H ILE A 38 10.420 4.195 2.661 1.00 0.00 H new ATOM 0 HA ILE A 38 10.043 3.452 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 38 8.068 3.230 2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.220 2.301 2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.047 1.021 2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.225 1.268 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.079 2.765 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.383 1.609 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.229 0.389 1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.026 0.517 0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.217 1.816 0.739 1.00 0.00 H new ATOM 578 N THR A 39 8.825 5.449 -0.962 1.00 0.00 N ATOM 579 CA THR A 39 8.036 6.509 -1.610 1.00 0.00 C ATOM 580 C THR A 39 6.948 5.948 -2.537 1.00 0.00 C ATOM 581 O THR A 39 6.788 4.728 -2.665 1.00 0.00 O ATOM 582 CB THR A 39 8.946 7.441 -2.440 1.00 0.00 C ATOM 583 OG1 THR A 39 9.641 6.682 -3.444 1.00 0.00 O ATOM 584 CG2 THR A 39 9.956 8.160 -1.555 1.00 0.00 C ATOM 0 H THR A 39 9.625 5.136 -1.511 1.00 0.00 H new ATOM 0 HA THR A 39 7.556 7.064 -0.804 1.00 0.00 H new ATOM 0 HB THR A 39 8.313 8.190 -2.917 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.215 7.280 -3.967 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.581 8.808 -2.169 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.428 8.761 -0.814 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.582 7.426 -1.047 1.00 0.00 H new ATOM 592 N GLU A 40 6.208 6.855 -3.191 1.00 0.00 N ATOM 593 CA GLU A 40 5.141 6.478 -4.131 1.00 0.00 C ATOM 594 C GLU A 40 5.659 5.495 -5.187 1.00 0.00 C ATOM 595 O GLU A 40 4.974 4.546 -5.561 1.00 0.00 O ATOM 596 CB GLU A 40 4.567 7.714 -4.852 1.00 0.00 C ATOM 597 CG GLU A 40 4.299 8.924 -3.951 1.00 0.00 C ATOM 598 CD GLU A 40 5.435 9.941 -3.962 1.00 0.00 C ATOM 599 OE1 GLU A 40 6.467 9.705 -3.297 1.00 0.00 O ATOM 600 OE2 GLU A 40 5.306 10.977 -4.650 1.00 0.00 O ATOM 0 H GLU A 40 6.330 7.862 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 40 4.355 6.004 -3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.261 8.012 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.635 7.430 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.379 9.412 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.137 8.580 -2.929 1.00 0.00 H new ATOM 607 N ASP A 41 6.873 5.748 -5.661 1.00 0.00 N ATOM 608 CA ASP A 41 7.532 4.900 -6.656 1.00 0.00 C ATOM 609 C ASP A 41 7.594 3.432 -6.197 1.00 0.00 C ATOM 610 O ASP A 41 7.165 2.525 -6.914 1.00 0.00 O ATOM 611 CB ASP A 41 8.951 5.422 -6.904 1.00 0.00 C ATOM 612 CG ASP A 41 8.970 6.865 -7.381 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.375 7.733 -6.704 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.585 7.141 -8.431 1.00 0.00 O ATOM 0 H ASP A 41 7.433 6.549 -5.367 1.00 0.00 H new ATOM 0 HA ASP A 41 6.950 4.938 -7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.530 5.340 -5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.441 4.792 -7.646 1.00 0.00 H new ATOM 619 N MET A 42 8.112 3.217 -4.986 1.00 0.00 N ATOM 620 CA MET A 42 8.283 1.866 -4.432 1.00 0.00 C ATOM 621 C MET A 42 6.925 1.168 -4.277 1.00 0.00 C ATOM 622 O MET A 42 6.714 0.057 -4.766 1.00 0.00 O ATOM 623 CB MET A 42 8.992 1.946 -3.069 1.00 0.00 C ATOM 624 CG MET A 42 10.269 2.780 -3.093 1.00 0.00 C ATOM 625 SD MET A 42 11.522 2.110 -4.202 1.00 0.00 S ATOM 626 CE MET A 42 12.771 3.392 -4.117 1.00 0.00 C ATOM 0 H MET A 42 8.423 3.964 -4.365 1.00 0.00 H new ATOM 0 HA MET A 42 8.894 1.283 -5.121 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.305 2.369 -2.336 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.233 0.937 -2.734 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.027 3.798 -3.399 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.678 2.839 -2.084 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.614 3.122 -4.753 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.347 4.336 -4.459 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.113 3.499 -3.088 1.00 0.00 H new ATOM 636 N LEU A 43 6.005 1.854 -3.603 1.00 0.00 N ATOM 637 CA LEU A 43 4.650 1.346 -3.377 1.00 0.00 C ATOM 638 C LEU A 43 3.956 0.977 -4.698 1.00 0.00 C ATOM 639 O LEU A 43 3.423 -0.121 -4.848 1.00 0.00 O ATOM 640 CB LEU A 43 3.834 2.404 -2.624 1.00 0.00 C ATOM 641 CG LEU A 43 4.369 2.759 -1.227 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.708 4.029 -0.697 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.151 1.593 -0.263 1.00 0.00 C ATOM 0 H LEU A 43 6.175 2.775 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 43 4.717 0.436 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.800 3.312 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.808 2.049 -2.525 1.00 0.00 H new ATOM 0 HG LEU A 43 5.440 2.947 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.103 4.259 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.918 4.858 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.630 3.878 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.535 1.859 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.085 1.375 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.677 0.713 -0.632 1.00 0.00 H new ATOM 655 N ARG A 44 3.985 1.895 -5.659 1.00 0.00 N ATOM 656 CA ARG A 44 3.361 1.669 -6.965 1.00 0.00 C ATOM 657 C ARG A 44 3.928 0.412 -7.648 1.00 0.00 C ATOM 658 O ARG A 44 3.175 -0.460 -8.080 1.00 0.00 O ATOM 659 CB ARG A 44 3.569 2.892 -7.865 1.00 0.00 C ATOM 660 CG ARG A 44 2.768 2.841 -9.157 1.00 0.00 C ATOM 661 CD ARG A 44 2.962 4.097 -10.003 1.00 0.00 C ATOM 662 NE ARG A 44 2.103 4.084 -11.186 1.00 0.00 N ATOM 663 CZ ARG A 44 1.856 5.122 -11.936 1.00 0.00 C ATOM 664 NH1 ARG A 44 2.426 6.261 -11.699 1.00 0.00 N ATOM 665 NH2 ARG A 44 1.045 5.007 -12.939 1.00 0.00 N ATOM 0 H ARG A 44 4.434 2.805 -5.561 1.00 0.00 H new ATOM 0 HA ARG A 44 2.294 1.514 -6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.294 3.790 -7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.628 2.978 -8.107 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.067 1.966 -9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.710 2.722 -8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.742 4.979 -9.402 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.005 4.173 -10.310 1.00 0.00 H new ATOM 0 HE ARG A 44 1.665 3.199 -11.443 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.076 6.353 -10.919 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.225 7.065 -12.293 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.604 4.109 -13.138 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.847 5.814 -13.530 1.00 0.00 H new ATOM 679 N GLY A 45 5.255 0.323 -7.718 1.00 0.00 N ATOM 680 CA GLY A 45 5.909 -0.818 -8.359 1.00 0.00 C ATOM 681 C GLY A 45 5.525 -2.170 -7.756 1.00 0.00 C ATOM 682 O GLY A 45 5.503 -3.186 -8.455 1.00 0.00 O ATOM 0 H GLY A 45 5.896 1.022 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.658 -0.820 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.989 -0.693 -8.287 1.00 0.00 H new ATOM 686 N ILE A 46 5.231 -2.184 -6.457 1.00 0.00 N ATOM 687 CA ILE A 46 4.841 -3.417 -5.758 1.00 0.00 C ATOM 688 C ILE A 46 3.332 -3.713 -5.888 1.00 0.00 C ATOM 689 O ILE A 46 2.926 -4.869 -6.020 1.00 0.00 O ATOM 690 CB ILE A 46 5.209 -3.338 -4.254 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.718 -3.103 -4.089 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.778 -4.610 -3.519 1.00 0.00 C ATOM 693 CD1 ILE A 46 7.160 -2.928 -2.652 1.00 0.00 C ATOM 0 H ILE A 46 5.254 -1.356 -5.862 1.00 0.00 H new ATOM 0 HA ILE A 46 5.393 -4.227 -6.234 1.00 0.00 H new ATOM 0 HB ILE A 46 4.674 -2.497 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.256 -3.945 -4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.001 -2.216 -4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.047 -4.530 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.699 -4.735 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.281 -5.472 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.238 -2.767 -2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.651 -2.068 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.910 -3.823 -2.083 1.00 0.00 H new ATOM 705 N PHE A 47 2.510 -2.667 -5.853 1.00 0.00 N ATOM 706 CA PHE A 47 1.044 -2.824 -5.834 1.00 0.00 C ATOM 707 C PHE A 47 0.425 -2.980 -7.242 1.00 0.00 C ATOM 708 O PHE A 47 -0.581 -3.677 -7.400 1.00 0.00 O ATOM 709 CB PHE A 47 0.400 -1.638 -5.097 1.00 0.00 C ATOM 710 CG PHE A 47 0.536 -1.695 -3.588 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.782 -1.636 -2.981 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.588 -1.813 -2.780 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.905 -1.693 -1.605 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.470 -1.871 -1.403 1.00 0.00 C ATOM 715 CZ PHE A 47 0.778 -1.810 -0.816 1.00 0.00 C ATOM 0 H PHE A 47 2.827 -1.698 -5.837 1.00 0.00 H new ATOM 0 HA PHE A 47 0.835 -3.753 -5.303 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.851 -0.713 -5.456 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.659 -1.597 -5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.668 -1.544 -3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.567 -1.860 -3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.882 -1.646 -1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.353 -1.964 -0.788 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.873 -1.854 0.259 1.00 0.00 H new ATOM 725 N GLU A 48 1.012 -2.346 -8.265 1.00 0.00 N ATOM 726 CA GLU A 48 0.461 -2.435 -9.633 1.00 0.00 C ATOM 727 C GLU A 48 0.395 -3.883 -10.180 1.00 0.00 C ATOM 728 O GLU A 48 -0.542 -4.217 -10.900 1.00 0.00 O ATOM 729 CB GLU A 48 1.223 -1.530 -10.615 1.00 0.00 C ATOM 730 CG GLU A 48 1.003 -0.041 -10.360 1.00 0.00 C ATOM 731 CD GLU A 48 1.433 0.840 -11.523 1.00 0.00 C ATOM 732 OE1 GLU A 48 2.593 0.734 -11.965 1.00 0.00 O ATOM 733 OE2 GLU A 48 0.613 1.665 -11.989 1.00 0.00 O ATOM 0 H GLU A 48 1.853 -1.775 -8.180 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.566 -2.080 -9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.289 -1.749 -10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.912 -1.767 -11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.053 0.133 -10.153 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.555 0.253 -9.467 1.00 0.00 H new ATOM 740 N PRO A 49 1.380 -4.768 -9.884 1.00 0.00 N ATOM 741 CA PRO A 49 1.276 -6.205 -10.224 1.00 0.00 C ATOM 742 C PRO A 49 -0.084 -6.842 -9.843 1.00 0.00 C ATOM 743 O PRO A 49 -0.446 -7.910 -10.349 1.00 0.00 O ATOM 744 CB PRO A 49 2.410 -6.827 -9.406 1.00 0.00 C ATOM 745 CG PRO A 49 3.445 -5.755 -9.340 1.00 0.00 C ATOM 746 CD PRO A 49 2.690 -4.450 -9.274 1.00 0.00 C ATOM 0 HA PRO A 49 1.347 -6.368 -11.299 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.071 -7.115 -8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.798 -7.727 -9.884 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.082 -5.882 -8.465 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.095 -5.786 -10.215 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.579 -4.104 -8.246 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.206 -3.662 -9.822 1.00 0.00 H new ATOM 754 N PHE A 50 -0.821 -6.198 -8.932 1.00 0.00 N ATOM 755 CA PHE A 50 -2.180 -6.635 -8.574 1.00 0.00 C ATOM 756 C PHE A 50 -3.239 -5.946 -9.456 1.00 0.00 C ATOM 757 O PHE A 50 -4.259 -6.547 -9.804 1.00 0.00 O ATOM 758 CB PHE A 50 -2.471 -6.330 -7.099 1.00 0.00 C ATOM 759 CG PHE A 50 -1.610 -7.096 -6.127 1.00 0.00 C ATOM 760 CD1 PHE A 50 -1.990 -8.357 -5.690 1.00 0.00 C ATOM 761 CD2 PHE A 50 -0.429 -6.553 -5.637 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.217 -9.058 -4.788 1.00 0.00 C ATOM 763 CE2 PHE A 50 0.349 -7.255 -4.735 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.046 -8.509 -4.309 1.00 0.00 C ATOM 0 H PHE A 50 -0.501 -5.371 -8.427 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.233 -7.711 -8.740 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.333 -5.263 -6.926 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.518 -6.553 -6.893 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.904 -8.796 -6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.115 -5.573 -5.964 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.529 -10.037 -4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.266 -6.823 -4.363 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.560 -9.057 -3.603 1.00 0.00 H new ATOM 774 N GLY A 51 -2.989 -4.685 -9.808 1.00 0.00 N ATOM 775 CA GLY A 51 -3.929 -3.922 -10.627 1.00 0.00 C ATOM 776 C GLY A 51 -3.371 -2.564 -11.058 1.00 0.00 C ATOM 777 O GLY A 51 -2.318 -2.492 -11.693 1.00 0.00 O ATOM 0 H GLY A 51 -2.148 -4.173 -9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.186 -4.502 -11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.852 -3.770 -10.067 1.00 0.00 H new ATOM 781 N ARG A 52 -4.077 -1.484 -10.726 1.00 0.00 N ATOM 782 CA ARG A 52 -3.607 -0.130 -11.045 1.00 0.00 C ATOM 783 C ARG A 52 -4.102 0.880 -9.992 1.00 0.00 C ATOM 784 O ARG A 52 -5.293 0.943 -9.685 1.00 0.00 O ATOM 785 CB ARG A 52 -4.067 0.271 -12.465 1.00 0.00 C ATOM 786 CG ARG A 52 -3.216 1.364 -13.121 1.00 0.00 C ATOM 787 CD ARG A 52 -3.578 2.769 -12.646 1.00 0.00 C ATOM 788 NE ARG A 52 -4.776 3.288 -13.307 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.356 4.416 -12.991 1.00 0.00 C ATOM 790 NH1 ARG A 52 -4.928 5.126 -11.998 1.00 0.00 N ATOM 791 NH2 ARG A 52 -6.366 4.843 -13.677 1.00 0.00 N ATOM 0 H ARG A 52 -4.972 -1.516 -10.239 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.517 -0.122 -11.024 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.054 -0.614 -13.101 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.101 0.613 -12.416 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.164 1.174 -12.908 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.337 1.310 -14.203 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.738 2.756 -11.568 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.741 3.441 -12.836 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.184 2.735 -14.061 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.128 4.808 -11.451 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.390 6.004 -11.762 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.712 4.299 -14.467 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.816 5.724 -13.428 1.00 0.00 H new ATOM 805 N ILE A 53 -3.176 1.663 -9.443 1.00 0.00 N ATOM 806 CA ILE A 53 -3.498 2.619 -8.377 1.00 0.00 C ATOM 807 C ILE A 53 -3.954 3.975 -8.945 1.00 0.00 C ATOM 808 O ILE A 53 -3.386 4.476 -9.917 1.00 0.00 O ATOM 809 CB ILE A 53 -2.284 2.857 -7.433 1.00 0.00 C ATOM 810 CG1 ILE A 53 -1.843 1.553 -6.737 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.610 3.927 -6.394 1.00 0.00 C ATOM 812 CD1 ILE A 53 -1.072 0.600 -7.625 1.00 0.00 C ATOM 0 H ILE A 53 -2.194 1.657 -9.717 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.315 2.174 -7.809 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.455 3.206 -8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.226 1.806 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.727 1.041 -6.357 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.748 4.078 -5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.852 4.862 -6.899 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.463 3.606 -5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.802 -0.289 -7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.691 0.313 -8.475 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.167 1.090 -7.985 1.00 0.00 H new ATOM 824 N GLU A 54 -4.979 4.566 -8.329 1.00 0.00 N ATOM 825 CA GLU A 54 -5.463 5.895 -8.723 1.00 0.00 C ATOM 826 C GLU A 54 -4.599 7.003 -8.106 1.00 0.00 C ATOM 827 O GLU A 54 -4.172 7.931 -8.792 1.00 0.00 O ATOM 828 CB GLU A 54 -6.925 6.098 -8.292 1.00 0.00 C ATOM 829 CG GLU A 54 -7.886 5.032 -8.806 1.00 0.00 C ATOM 830 CD GLU A 54 -9.350 5.402 -8.590 1.00 0.00 C ATOM 831 OE1 GLU A 54 -9.664 6.079 -7.585 1.00 0.00 O ATOM 832 OE2 GLU A 54 -10.188 5.042 -9.447 1.00 0.00 O ATOM 0 H GLU A 54 -5.492 4.147 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.397 5.953 -9.809 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.971 6.117 -7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.262 7.074 -8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.709 4.873 -9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.677 4.088 -8.303 1.00 0.00 H new ATOM 839 N SER A 55 -4.353 6.897 -6.800 1.00 0.00 N ATOM 840 CA SER A 55 -3.565 7.903 -6.070 1.00 0.00 C ATOM 841 C SER A 55 -2.792 7.269 -4.902 1.00 0.00 C ATOM 842 O SER A 55 -3.283 6.348 -4.248 1.00 0.00 O ATOM 843 CB SER A 55 -4.481 9.015 -5.531 1.00 0.00 C ATOM 844 OG SER A 55 -5.407 8.511 -4.576 1.00 0.00 O ATOM 0 H SER A 55 -4.686 6.126 -6.221 1.00 0.00 H new ATOM 0 HA SER A 55 -2.848 8.329 -6.771 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.875 9.797 -5.074 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.023 9.474 -6.358 1.00 0.00 H new ATOM 0 HG SER A 55 -5.973 9.242 -4.252 1.00 0.00 H new ATOM 850 N ILE A 56 -1.575 7.760 -4.653 1.00 0.00 N ATOM 851 CA ILE A 56 -0.750 7.276 -3.536 1.00 0.00 C ATOM 852 C ILE A 56 -0.398 8.430 -2.579 1.00 0.00 C ATOM 853 O ILE A 56 0.448 9.273 -2.885 1.00 0.00 O ATOM 854 CB ILE A 56 0.561 6.614 -4.043 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.250 5.522 -5.080 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.348 6.026 -2.874 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.482 4.861 -5.660 1.00 0.00 C ATOM 0 H ILE A 56 -1.136 8.494 -5.209 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.337 6.528 -3.003 1.00 0.00 H new ATOM 0 HB ILE A 56 1.169 7.381 -4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.375 4.760 -4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.332 5.960 -5.891 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.263 5.566 -3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.601 6.819 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.743 5.273 -2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.182 4.103 -6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.098 5.611 -6.156 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.055 4.393 -4.859 1.00 0.00 H new ATOM 869 N GLN A 57 -1.058 8.470 -1.423 1.00 0.00 N ATOM 870 CA GLN A 57 -0.877 9.570 -0.465 1.00 0.00 C ATOM 871 C GLN A 57 0.017 9.159 0.715 1.00 0.00 C ATOM 872 O GLN A 57 -0.382 8.350 1.545 1.00 0.00 O ATOM 873 CB GLN A 57 -2.242 10.030 0.071 1.00 0.00 C ATOM 874 CG GLN A 57 -3.288 10.309 -1.007 1.00 0.00 C ATOM 875 CD GLN A 57 -2.819 11.298 -2.063 1.00 0.00 C ATOM 876 OE1 GLN A 57 -1.990 12.163 -1.804 1.00 0.00 O ATOM 877 NE2 GLN A 57 -3.362 11.189 -3.257 1.00 0.00 N ATOM 0 H GLN A 57 -1.723 7.757 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.387 10.387 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.629 9.266 0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.099 10.934 0.663 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.557 9.371 -1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.192 10.694 -0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.049 10.458 -3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.096 11.836 -3.999 1.00 0.00 H new ATOM 886 N LEU A 58 1.215 9.729 0.808 1.00 0.00 N ATOM 887 CA LEU A 58 2.117 9.435 1.933 1.00 0.00 C ATOM 888 C LEU A 58 2.030 10.528 3.003 1.00 0.00 C ATOM 889 O LEU A 58 1.954 11.714 2.688 1.00 0.00 O ATOM 890 CB LEU A 58 3.573 9.294 1.461 1.00 0.00 C ATOM 891 CG LEU A 58 3.897 8.010 0.681 1.00 0.00 C ATOM 892 CD1 LEU A 58 3.189 7.994 -0.668 1.00 0.00 C ATOM 893 CD2 LEU A 58 5.404 7.858 0.506 1.00 0.00 C ATOM 0 H LEU A 58 1.587 10.392 0.128 1.00 0.00 H new ATOM 0 HA LEU A 58 1.797 8.486 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.817 10.151 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.225 9.342 2.333 1.00 0.00 H new ATOM 0 HG LEU A 58 3.531 7.161 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.436 7.074 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.111 8.045 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.512 8.851 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.616 6.944 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.795 8.714 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.881 7.807 1.485 1.00 0.00 H new ATOM 905 N MET A 59 2.047 10.119 4.267 1.00 0.00 N ATOM 906 CA MET A 59 1.925 11.057 5.383 1.00 0.00 C ATOM 907 C MET A 59 3.304 11.481 5.898 1.00 0.00 C ATOM 908 O MET A 59 3.964 10.742 6.634 1.00 0.00 O ATOM 909 CB MET A 59 1.112 10.420 6.516 1.00 0.00 C ATOM 910 CG MET A 59 -0.284 9.951 6.104 1.00 0.00 C ATOM 911 SD MET A 59 -1.456 11.304 5.834 1.00 0.00 S ATOM 912 CE MET A 59 -1.053 11.826 4.164 1.00 0.00 C ATOM 0 H MET A 59 2.144 9.143 4.547 1.00 0.00 H new ATOM 0 HA MET A 59 1.407 11.947 5.026 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.666 9.569 6.911 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.015 11.141 7.328 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.205 9.363 5.190 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.678 9.289 6.876 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.962 12.139 3.651 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.352 12.660 4.203 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.599 10.996 3.623 1.00 0.00 H new ATOM 1033 N LYS A 68 5.941 10.011 8.646 1.00 0.00 N ATOM 1034 CA LYS A 68 5.200 9.408 9.762 1.00 0.00 C ATOM 1035 C LYS A 68 5.205 7.870 9.680 1.00 0.00 C ATOM 1036 O LYS A 68 4.765 7.187 10.607 1.00 0.00 O ATOM 1037 CB LYS A 68 3.757 9.934 9.800 1.00 0.00 C ATOM 1038 CG LYS A 68 3.657 11.451 9.947 1.00 0.00 C ATOM 1039 CD LYS A 68 2.214 11.926 10.151 1.00 0.00 C ATOM 1040 CE LYS A 68 1.739 11.774 11.600 1.00 0.00 C ATOM 1041 NZ LYS A 68 1.652 10.358 12.043 1.00 0.00 N ATOM 0 HA LYS A 68 5.705 9.696 10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.246 9.633 8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.230 9.463 10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.265 11.772 10.793 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.071 11.927 9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.135 12.972 9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.553 11.359 9.495 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.422 12.312 12.258 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.760 12.242 11.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.095 10.302 12.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.191 9.791 11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.609 9.989 12.216 1.00 0.00 H new ATOM 1055 N GLY A 69 5.689 7.331 8.558 1.00 0.00 N ATOM 1056 CA GLY A 69 5.880 5.884 8.437 1.00 0.00 C ATOM 1057 C GLY A 69 4.727 5.130 7.768 1.00 0.00 C ATOM 1058 O GLY A 69 4.778 3.904 7.651 1.00 0.00 O ATOM 0 H GLY A 69 5.953 7.866 7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.792 5.700 7.869 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.035 5.469 9.433 1.00 0.00 H new ATOM 1062 N TYR A 70 3.690 5.838 7.318 1.00 0.00 N ATOM 1063 CA TYR A 70 2.546 5.178 6.669 1.00 0.00 C ATOM 1064 C TYR A 70 1.971 6.004 5.505 1.00 0.00 C ATOM 1065 O TYR A 70 2.014 7.237 5.510 1.00 0.00 O ATOM 1066 CB TYR A 70 1.444 4.866 7.696 1.00 0.00 C ATOM 1067 CG TYR A 70 0.947 6.076 8.463 1.00 0.00 C ATOM 1068 CD1 TYR A 70 1.646 6.560 9.562 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -0.218 6.736 8.085 1.00 0.00 C ATOM 1070 CE1 TYR A 70 1.203 7.665 10.257 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -0.665 7.845 8.776 1.00 0.00 C ATOM 1072 CZ TYR A 70 0.048 8.304 9.861 1.00 0.00 C ATOM 1073 OH TYR A 70 -0.386 9.414 10.548 1.00 0.00 O ATOM 0 H TYR A 70 3.614 6.853 7.387 1.00 0.00 H new ATOM 0 HA TYR A 70 2.919 4.244 6.249 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.601 4.406 7.179 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.822 4.130 8.406 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.551 6.062 9.877 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.782 6.375 7.237 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.759 8.029 11.109 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.569 8.349 8.467 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.214 9.747 10.142 1.00 0.00 H new ATOM 1083 N GLY A 71 1.436 5.300 4.511 1.00 0.00 N ATOM 1084 CA GLY A 71 0.834 5.941 3.346 1.00 0.00 C ATOM 1085 C GLY A 71 -0.466 5.265 2.914 1.00 0.00 C ATOM 1086 O GLY A 71 -0.621 4.054 3.058 1.00 0.00 O ATOM 0 H GLY A 71 1.407 4.281 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.637 6.989 3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.543 5.922 2.518 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.403 6.049 2.396 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.695 5.528 1.935 1.00 0.00 C ATOM 1092 C PHE A 72 -2.722 5.358 0.406 1.00 0.00 C ATOM 1093 O PHE A 72 -2.525 6.319 -0.338 1.00 0.00 O ATOM 1094 CB PHE A 72 -3.824 6.465 2.376 1.00 0.00 C ATOM 1095 CG PHE A 72 -3.967 6.579 3.872 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -3.219 7.504 4.590 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -4.850 5.760 4.561 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -3.349 7.608 5.960 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -4.985 5.861 5.932 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.235 6.787 6.634 1.00 0.00 C ATOM 0 H PHE A 72 -1.296 7.057 2.282 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.840 4.546 2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.644 7.457 1.960 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.765 6.109 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.527 8.150 4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.439 5.035 4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.759 8.330 6.505 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.676 5.217 6.456 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.341 6.869 7.706 1.00 0.00 H new ATOM 1110 N ILE A 73 -2.975 4.135 -0.054 1.00 0.00 N ATOM 1111 CA ILE A 73 -2.993 3.826 -1.491 1.00 0.00 C ATOM 1112 C ILE A 73 -4.418 3.520 -1.987 1.00 0.00 C ATOM 1113 O ILE A 73 -5.095 2.641 -1.455 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.066 2.625 -1.801 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.614 2.973 -1.435 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.168 2.210 -3.267 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.364 1.836 -1.642 1.00 0.00 C ATOM 0 H ILE A 73 -3.172 3.335 0.547 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.629 4.709 -2.017 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.390 1.778 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.294 3.827 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.578 3.284 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.505 1.365 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.195 1.923 -3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.877 3.046 -3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.366 2.162 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.072 0.987 -1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.360 1.539 -2.691 1.00 0.00 H new ATOM 1129 N THR A 74 -4.862 4.245 -3.012 1.00 0.00 N ATOM 1130 CA THR A 74 -6.241 4.118 -3.519 1.00 0.00 C ATOM 1131 C THR A 74 -6.326 3.269 -4.798 1.00 0.00 C ATOM 1132 O THR A 74 -5.720 3.600 -5.818 1.00 0.00 O ATOM 1133 CB THR A 74 -6.858 5.506 -3.820 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.720 6.368 -2.678 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.336 5.379 -4.188 1.00 0.00 C ATOM 0 H THR A 74 -4.293 4.928 -3.512 1.00 0.00 H new ATOM 0 HA THR A 74 -6.799 3.619 -2.727 1.00 0.00 H new ATOM 0 HB THR A 74 -6.323 5.936 -4.667 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.314 7.216 -2.955 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.746 6.368 -4.395 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.438 4.752 -5.073 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.880 4.927 -3.359 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.094 2.180 -4.732 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.382 1.338 -5.906 1.00 0.00 C ATOM 1145 C PHE A 75 -8.769 1.652 -6.493 1.00 0.00 C ATOM 1146 O PHE A 75 -9.675 2.071 -5.775 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.306 -0.151 -5.542 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.902 -0.657 -5.332 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.271 -0.507 -4.107 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -5.214 -1.286 -6.364 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -3.986 -0.972 -3.915 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.928 -1.752 -6.175 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.316 -1.595 -4.949 1.00 0.00 C ATOM 0 H PHE A 75 -7.534 1.854 -3.871 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.625 1.562 -6.658 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.883 -0.323 -4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.777 -0.733 -6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.790 -0.021 -3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.691 -1.411 -7.325 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.505 -0.849 -2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.403 -2.238 -6.984 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.311 -1.960 -4.798 1.00 0.00 H new ATOM 1163 N SER A 76 -8.930 1.430 -7.799 1.00 0.00 N ATOM 1164 CA SER A 76 -10.192 1.744 -8.495 1.00 0.00 C ATOM 1165 C SER A 76 -11.286 0.711 -8.181 1.00 0.00 C ATOM 1166 O SER A 76 -12.469 0.937 -8.455 1.00 0.00 O ATOM 1167 CB SER A 76 -9.962 1.806 -10.014 1.00 0.00 C ATOM 1168 OG SER A 76 -11.126 2.247 -10.704 1.00 0.00 O ATOM 0 H SER A 76 -8.207 1.035 -8.400 1.00 0.00 H new ATOM 0 HA SER A 76 -10.530 2.716 -8.136 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.133 2.481 -10.230 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.674 0.820 -10.379 1.00 0.00 H new ATOM 0 HG SER A 76 -11.921 2.040 -10.170 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.882 -0.424 -7.611 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.811 -1.506 -7.272 1.00 0.00 C ATOM 1176 C ASP A 77 -11.521 -2.089 -5.875 1.00 0.00 C ATOM 1177 O ASP A 77 -10.367 -2.298 -5.506 1.00 0.00 O ATOM 1178 CB ASP A 77 -11.712 -2.599 -8.334 1.00 0.00 C ATOM 1179 CG ASP A 77 -12.626 -3.774 -8.048 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -13.858 -3.589 -8.051 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -12.112 -4.887 -7.821 1.00 0.00 O ATOM 0 H ASP A 77 -9.910 -0.620 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.822 -1.100 -7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.962 -2.178 -9.308 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.682 -2.951 -8.393 1.00 0.00 H new ATOM 1186 N SER A 78 -12.580 -2.371 -5.115 1.00 0.00 N ATOM 1187 CA SER A 78 -12.442 -2.887 -3.744 1.00 0.00 C ATOM 1188 C SER A 78 -11.910 -4.323 -3.711 1.00 0.00 C ATOM 1189 O SER A 78 -11.289 -4.738 -2.731 1.00 0.00 O ATOM 1190 CB SER A 78 -13.781 -2.829 -2.994 1.00 0.00 C ATOM 1191 OG SER A 78 -13.687 -3.442 -1.715 1.00 0.00 O ATOM 0 H SER A 78 -13.545 -2.252 -5.422 1.00 0.00 H new ATOM 0 HA SER A 78 -11.716 -2.242 -3.249 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.091 -1.790 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.551 -3.328 -3.582 1.00 0.00 H new ATOM 0 HG SER A 78 -13.026 -2.965 -1.171 1.00 0.00 H new ATOM 1197 N GLU A 79 -12.158 -5.098 -4.762 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.680 -6.483 -4.796 1.00 0.00 C ATOM 1199 C GLU A 79 -10.201 -6.532 -5.209 1.00 0.00 C ATOM 1200 O GLU A 79 -9.414 -7.285 -4.638 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.549 -7.345 -5.726 1.00 0.00 C ATOM 1202 CG GLU A 79 -12.533 -8.829 -5.362 1.00 0.00 C ATOM 1203 CD GLU A 79 -12.942 -9.072 -3.914 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -14.062 -8.666 -3.531 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -12.135 -9.632 -3.142 1.00 0.00 O ATOM 0 H GLU A 79 -12.677 -4.802 -5.589 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.764 -6.899 -3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.576 -6.981 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.201 -7.226 -6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.208 -9.371 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.533 -9.231 -5.528 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.825 -5.708 -6.188 1.00 0.00 N ATOM 1213 CA CYS A 80 -8.408 -5.504 -6.523 1.00 0.00 C ATOM 1214 C CYS A 80 -7.655 -4.915 -5.322 1.00 0.00 C ATOM 1215 O CYS A 80 -6.518 -5.295 -5.034 1.00 0.00 O ATOM 1216 CB CYS A 80 -8.261 -4.576 -7.737 1.00 0.00 C ATOM 1217 SG CYS A 80 -6.548 -4.252 -8.221 1.00 0.00 S ATOM 0 H CYS A 80 -10.475 -5.172 -6.762 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.977 -6.473 -6.773 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.788 -5.017 -8.583 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.750 -3.627 -7.516 1.00 0.00 H new ATOM 0 HG CYS A 80 -6.067 -3.287 -7.494 1.00 0.00 H new ATOM 1223 N ALA A 81 -8.315 -3.994 -4.614 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.771 -3.428 -3.378 1.00 0.00 C ATOM 1225 C ALA A 81 -7.544 -4.517 -2.321 1.00 0.00 C ATOM 1226 O ALA A 81 -6.474 -4.596 -1.726 1.00 0.00 O ATOM 1227 CB ALA A 81 -8.695 -2.346 -2.830 1.00 0.00 C ATOM 0 H ALA A 81 -9.229 -3.624 -4.877 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.807 -2.979 -3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.273 -1.938 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.799 -1.549 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.674 -2.776 -2.620 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.554 -5.365 -2.097 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.425 -6.478 -1.142 1.00 0.00 C ATOM 1235 C LYS A 82 -7.441 -7.541 -1.643 1.00 0.00 C ATOM 1236 O LYS A 82 -6.864 -8.274 -0.853 1.00 0.00 O ATOM 1237 CB LYS A 82 -9.784 -7.126 -0.841 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.699 -6.239 -0.005 1.00 0.00 C ATOM 1239 CD LYS A 82 -11.960 -6.969 0.464 1.00 0.00 C ATOM 1240 CE LYS A 82 -12.720 -7.627 -0.685 1.00 0.00 C ATOM 1241 NZ LYS A 82 -13.152 -6.654 -1.726 1.00 0.00 N ATOM 0 H LYS A 82 -9.462 -5.306 -2.557 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.033 -6.052 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.281 -7.366 -1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.622 -8.067 -0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.151 -5.874 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.986 -5.366 -0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.684 -7.729 1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.617 -6.262 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.087 -8.386 -1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.596 -8.140 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.618 -7.162 -2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.819 -5.973 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.322 -6.146 -2.092 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.255 -7.623 -2.955 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.258 -8.529 -3.528 1.00 0.00 C ATOM 1257 C LYS A 83 -4.849 -8.116 -3.078 1.00 0.00 C ATOM 1258 O LYS A 83 -4.107 -8.906 -2.493 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.361 -8.519 -5.057 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.511 -9.576 -5.750 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.686 -9.526 -7.266 1.00 0.00 C ATOM 1262 CE LYS A 83 -7.146 -9.709 -7.670 1.00 0.00 C ATOM 1263 NZ LYS A 83 -7.322 -9.686 -9.144 1.00 0.00 N ATOM 0 H LYS A 83 -7.776 -7.078 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.450 -9.542 -3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.403 -8.665 -5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.066 -7.535 -5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.462 -9.423 -5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.786 -10.565 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.321 -8.571 -7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.080 -10.305 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.515 -10.656 -7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.748 -8.919 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.328 -9.814 -9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.994 -8.773 -9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.768 -10.455 -9.572 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.496 -6.860 -3.341 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.226 -6.298 -2.873 1.00 0.00 C ATOM 1279 C ALA A 84 -3.149 -6.325 -1.338 1.00 0.00 C ATOM 1280 O ALA A 84 -2.193 -6.835 -0.760 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.066 -4.873 -3.393 1.00 0.00 C ATOM 0 H ALA A 84 -5.071 -6.209 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.411 -6.909 -3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.120 -4.461 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.076 -4.880 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.888 -4.258 -3.027 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.184 -5.788 -0.699 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.293 -5.750 0.766 1.00 0.00 C ATOM 1289 C LEU A 85 -4.013 -7.130 1.387 1.00 0.00 C ATOM 1290 O LEU A 85 -3.032 -7.312 2.110 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.713 -5.265 1.144 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.971 -4.887 2.621 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -7.290 -4.135 2.747 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -5.993 -6.112 3.529 1.00 0.00 C ATOM 0 H LEU A 85 -4.977 -5.364 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.546 -5.062 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.946 -4.396 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.420 -6.048 0.869 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.148 -4.248 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.462 -3.874 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.249 -3.226 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.104 -4.767 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.177 -5.800 4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.785 -6.789 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.033 -6.624 3.472 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.870 -8.093 1.069 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.846 -9.415 1.703 1.00 0.00 C ATOM 1308 C GLU A 86 -3.588 -10.234 1.359 1.00 0.00 C ATOM 1309 O GLU A 86 -3.242 -11.169 2.082 1.00 0.00 O ATOM 1310 CB GLU A 86 -6.121 -10.185 1.327 1.00 0.00 C ATOM 1311 CG GLU A 86 -7.388 -9.643 1.989 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.467 -9.951 3.477 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -6.730 -9.324 4.268 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -8.279 -10.817 3.864 1.00 0.00 O ATOM 0 H GLU A 86 -5.601 -7.985 0.366 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.811 -9.258 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.247 -10.155 0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.997 -11.232 1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.431 -8.563 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.260 -10.066 1.490 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.906 -9.901 0.260 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.646 -10.580 -0.081 1.00 0.00 C ATOM 1323 C GLN A 87 -0.408 -9.815 0.423 1.00 0.00 C ATOM 1324 O GLN A 87 0.693 -10.372 0.465 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.537 -10.815 -1.599 1.00 0.00 C ATOM 1326 CG GLN A 87 -2.248 -12.076 -2.092 1.00 0.00 C ATOM 1327 CD GLN A 87 -3.763 -12.014 -1.970 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -4.336 -12.373 -0.946 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -4.427 -11.594 -3.029 1.00 0.00 N ATOM 0 H GLN A 87 -3.195 -9.179 -0.400 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.668 -11.543 0.429 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.951 -9.951 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.483 -10.876 -1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.984 -12.246 -3.136 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.882 -12.933 -1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.921 -11.302 -3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.446 -11.561 -3.012 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.574 -8.548 0.810 1.00 0.00 N ATOM 1339 CA LEU A 88 0.569 -7.718 1.226 1.00 0.00 C ATOM 1340 C LEU A 88 0.583 -7.400 2.733 1.00 0.00 C ATOM 1341 O LEU A 88 1.604 -6.947 3.258 1.00 0.00 O ATOM 1342 CB LEU A 88 0.605 -6.419 0.411 1.00 0.00 C ATOM 1343 CG LEU A 88 0.857 -6.603 -1.096 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.822 -5.262 -1.821 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.187 -7.314 -1.341 1.00 0.00 C ATOM 0 H LEU A 88 -1.477 -8.075 0.846 1.00 0.00 H new ATOM 0 HA LEU A 88 1.464 -8.307 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.343 -5.898 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.384 -5.774 0.818 1.00 0.00 H new ATOM 0 HG LEU A 88 0.058 -7.227 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.003 -5.419 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.155 -4.799 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.593 -4.608 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.344 -7.433 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.999 -6.722 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.168 -8.295 -0.866 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.528 -7.619 3.436 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.550 -7.404 4.890 1.00 0.00 C ATOM 1359 C ASN A 89 0.301 -8.454 5.619 1.00 0.00 C ATOM 1360 O ASN A 89 -0.135 -9.579 5.881 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.987 -7.372 5.437 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.872 -8.476 4.896 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -2.417 -9.561 4.560 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -4.153 -8.202 4.815 1.00 0.00 N ATOM 0 H ASN A 89 -1.410 -7.939 3.036 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.109 -6.426 5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -1.954 -7.446 6.524 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.436 -6.408 5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.804 -8.904 4.463 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.498 -7.287 5.104 1.00 0.00 H new ATOM 1371 N GLY A 90 1.534 -8.073 5.930 1.00 0.00 N ATOM 1372 CA GLY A 90 2.494 -8.998 6.519 1.00 0.00 C ATOM 1373 C GLY A 90 3.680 -9.262 5.596 1.00 0.00 C ATOM 1374 O GLY A 90 4.602 -9.997 5.949 1.00 0.00 O ATOM 0 H GLY A 90 1.893 -7.129 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.855 -8.592 7.464 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.996 -9.940 6.746 1.00 0.00 H new ATOM 1378 N PHE A 91 3.644 -8.662 4.405 1.00 0.00 N ATOM 1379 CA PHE A 91 4.728 -8.789 3.422 1.00 0.00 C ATOM 1380 C PHE A 91 6.023 -8.152 3.941 1.00 0.00 C ATOM 1381 O PHE A 91 6.034 -6.993 4.355 1.00 0.00 O ATOM 1382 CB PHE A 91 4.302 -8.126 2.100 1.00 0.00 C ATOM 1383 CG PHE A 91 5.353 -8.158 1.013 1.00 0.00 C ATOM 1384 CD1 PHE A 91 5.541 -9.296 0.242 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.144 -7.044 0.758 1.00 0.00 C ATOM 1386 CE1 PHE A 91 6.495 -9.324 -0.758 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.099 -7.069 -0.241 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.275 -8.210 -1.000 1.00 0.00 C ATOM 0 H PHE A 91 2.869 -8.077 4.093 1.00 0.00 H new ATOM 0 HA PHE A 91 4.922 -9.848 3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.403 -8.622 1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.035 -7.088 2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.935 -10.171 0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.011 -6.149 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.630 -10.217 -1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.708 -6.197 -0.428 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.021 -8.231 -1.781 1.00 0.00 H new ATOM 1398 N GLU A 92 7.114 -8.911 3.917 1.00 0.00 N ATOM 1399 CA GLU A 92 8.406 -8.410 4.383 1.00 0.00 C ATOM 1400 C GLU A 92 9.044 -7.479 3.340 1.00 0.00 C ATOM 1401 O GLU A 92 9.674 -7.928 2.380 1.00 0.00 O ATOM 1402 CB GLU A 92 9.346 -9.580 4.711 1.00 0.00 C ATOM 1403 CG GLU A 92 10.709 -9.150 5.245 1.00 0.00 C ATOM 1404 CD GLU A 92 11.525 -10.319 5.772 1.00 0.00 C ATOM 1405 OE1 GLU A 92 11.409 -10.633 6.976 1.00 0.00 O ATOM 1406 OE2 GLU A 92 12.292 -10.925 4.989 1.00 0.00 O ATOM 0 H GLU A 92 7.131 -9.874 3.581 1.00 0.00 H new ATOM 0 HA GLU A 92 8.240 -7.832 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.865 -10.223 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.492 -10.179 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.265 -8.652 4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.569 -8.420 6.043 1.00 0.00 H new ATOM 1413 N LEU A 93 8.847 -6.179 3.523 1.00 0.00 N ATOM 1414 CA LEU A 93 9.408 -5.162 2.627 1.00 0.00 C ATOM 1415 C LEU A 93 10.701 -4.559 3.200 1.00 0.00 C ATOM 1416 O LEU A 93 10.702 -3.996 4.295 1.00 0.00 O ATOM 1417 CB LEU A 93 8.374 -4.053 2.390 1.00 0.00 C ATOM 1418 CG LEU A 93 8.871 -2.853 1.565 1.00 0.00 C ATOM 1419 CD1 LEU A 93 9.304 -3.291 0.168 1.00 0.00 C ATOM 1420 CD2 LEU A 93 7.796 -1.770 1.487 1.00 0.00 C ATOM 0 H LEU A 93 8.297 -5.796 4.292 1.00 0.00 H new ATOM 0 HA LEU A 93 9.654 -5.643 1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.510 -4.486 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.028 -3.689 3.358 1.00 0.00 H new ATOM 0 HG LEU A 93 9.742 -2.433 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.651 -2.424 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.112 -4.018 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.459 -3.744 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.167 -0.930 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.903 -2.177 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.550 -1.429 2.492 1.00 0.00 H new ATOM 1432 N ALA A 94 11.802 -4.690 2.452 1.00 0.00 N ATOM 1433 CA ALA A 94 13.107 -4.147 2.866 1.00 0.00 C ATOM 1434 C ALA A 94 13.569 -4.717 4.220 1.00 0.00 C ATOM 1435 O ALA A 94 14.431 -4.144 4.890 1.00 0.00 O ATOM 1436 CB ALA A 94 13.054 -2.621 2.911 1.00 0.00 C ATOM 0 H ALA A 94 11.818 -5.169 1.552 1.00 0.00 H new ATOM 0 HA ALA A 94 13.842 -4.455 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.025 -2.232 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.806 -2.236 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 94 12.294 -2.304 3.625 1.00 0.00 H new ATOM 1442 N GLY A 95 13.002 -5.857 4.601 1.00 0.00 N ATOM 1443 CA GLY A 95 13.337 -6.496 5.870 1.00 0.00 C ATOM 1444 C GLY A 95 12.368 -6.152 6.997 1.00 0.00 C ATOM 1445 O GLY A 95 12.603 -6.505 8.153 1.00 0.00 O ATOM 0 H GLY A 95 12.307 -6.359 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.352 -7.577 5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.344 -6.199 6.163 1.00 0.00 H new ATOM 1449 N ARG A 96 11.272 -5.472 6.663 1.00 0.00 N ATOM 1450 CA ARG A 96 10.264 -5.074 7.654 1.00 0.00 C ATOM 1451 C ARG A 96 8.846 -5.454 7.180 1.00 0.00 C ATOM 1452 O ARG A 96 8.485 -5.193 6.034 1.00 0.00 O ATOM 1453 CB ARG A 96 10.346 -3.557 7.891 1.00 0.00 C ATOM 1454 CG ARG A 96 9.498 -3.060 9.059 1.00 0.00 C ATOM 1455 CD ARG A 96 9.545 -1.541 9.184 1.00 0.00 C ATOM 1456 NE ARG A 96 8.973 -1.073 10.446 1.00 0.00 N ATOM 1457 CZ ARG A 96 8.493 0.126 10.638 1.00 0.00 C ATOM 1458 NH1 ARG A 96 8.375 0.958 9.652 1.00 0.00 N ATOM 1459 NH2 ARG A 96 8.089 0.475 11.815 1.00 0.00 N ATOM 0 H ARG A 96 11.056 -5.182 5.709 1.00 0.00 H new ATOM 0 HA ARG A 96 10.466 -5.602 8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.386 -3.284 8.070 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.032 -3.041 6.983 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.466 -3.382 8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.853 -3.512 9.985 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.579 -1.204 9.108 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.002 -1.093 8.352 1.00 0.00 H new ATOM 0 HE ARG A 96 8.947 -1.727 11.228 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.659 0.679 8.713 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.999 1.892 9.815 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.146 -0.185 12.590 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.713 1.411 11.969 1.00 0.00 H new ATOM 1473 N PRO A 97 8.027 -6.088 8.046 1.00 0.00 N ATOM 1474 CA PRO A 97 6.635 -6.449 7.699 1.00 0.00 C ATOM 1475 C PRO A 97 5.773 -5.222 7.330 1.00 0.00 C ATOM 1476 O PRO A 97 5.773 -4.209 8.034 1.00 0.00 O ATOM 1477 CB PRO A 97 6.107 -7.125 8.978 1.00 0.00 C ATOM 1478 CG PRO A 97 7.037 -6.688 10.064 1.00 0.00 C ATOM 1479 CD PRO A 97 8.381 -6.516 9.410 1.00 0.00 C ATOM 0 HA PRO A 97 6.592 -7.089 6.818 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.082 -6.820 9.190 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.102 -8.210 8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.700 -5.755 10.515 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.082 -7.430 10.861 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.988 -5.770 9.923 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.952 -7.445 9.407 1.00 0.00 H new ATOM 1487 N MET A 98 5.030 -5.323 6.227 1.00 0.00 N ATOM 1488 CA MET A 98 4.207 -4.211 5.736 1.00 0.00 C ATOM 1489 C MET A 98 2.735 -4.373 6.149 1.00 0.00 C ATOM 1490 O MET A 98 2.062 -5.321 5.745 1.00 0.00 O ATOM 1491 CB MET A 98 4.331 -4.109 4.208 1.00 0.00 C ATOM 1492 CG MET A 98 3.538 -2.961 3.593 1.00 0.00 C ATOM 1493 SD MET A 98 3.945 -2.673 1.857 1.00 0.00 S ATOM 1494 CE MET A 98 3.603 -4.280 1.145 1.00 0.00 C ATOM 0 H MET A 98 4.980 -6.165 5.654 1.00 0.00 H new ATOM 0 HA MET A 98 4.573 -3.289 6.189 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.383 -3.990 3.947 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.996 -5.046 3.764 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.473 -3.175 3.680 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.728 -2.050 4.161 1.00 0.00 H new ATOM 0 HE1 MET A 98 4.541 -4.763 0.869 1.00 0.00 H new ATOM 0 HE2 MET A 98 3.078 -4.897 1.874 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.982 -4.160 0.257 1.00 0.00 H new ATOM 1504 N LYS A 99 2.245 -3.434 6.952 1.00 0.00 N ATOM 1505 CA LYS A 99 0.886 -3.507 7.498 1.00 0.00 C ATOM 1506 C LYS A 99 -0.141 -2.823 6.576 1.00 0.00 C ATOM 1507 O LYS A 99 -0.224 -1.598 6.523 1.00 0.00 O ATOM 1508 CB LYS A 99 0.865 -2.860 8.890 1.00 0.00 C ATOM 1509 CG LYS A 99 1.793 -3.549 9.891 1.00 0.00 C ATOM 1510 CD LYS A 99 1.757 -2.875 11.260 1.00 0.00 C ATOM 1511 CE LYS A 99 2.750 -3.511 12.229 1.00 0.00 C ATOM 1512 NZ LYS A 99 2.707 -2.868 13.570 1.00 0.00 N ATOM 0 H LYS A 99 2.768 -2.608 7.243 1.00 0.00 H new ATOM 0 HA LYS A 99 0.603 -4.557 7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.152 -1.812 8.800 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.154 -2.879 9.277 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.503 -4.595 9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.813 -3.537 9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.985 -1.815 11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.751 -2.944 11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.530 -4.574 12.329 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.757 -3.431 11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.396 -3.329 14.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.942 -1.859 13.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.753 -2.966 13.972 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.915 -3.627 5.845 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.943 -3.106 4.925 1.00 0.00 C ATOM 1528 C VAL A 100 -3.363 -3.480 5.391 1.00 0.00 C ATOM 1529 O VAL A 100 -3.726 -4.656 5.388 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.734 -3.658 3.489 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.673 -2.968 2.500 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.282 -3.500 3.052 1.00 0.00 C ATOM 0 H VAL A 100 -0.854 -4.645 5.868 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.840 -2.021 4.923 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.972 -4.722 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.509 -3.371 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.707 -3.144 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.474 -1.896 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.161 -3.894 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.011 -2.444 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.366 -4.049 3.736 1.00 0.00 H new ATOM 1542 N GLY A 101 -4.166 -2.489 5.797 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.535 -2.787 6.231 1.00 0.00 C ATOM 1544 C GLY A 101 -6.547 -1.654 6.021 1.00 0.00 C ATOM 1545 O GLY A 101 -6.925 -0.985 6.980 1.00 0.00 O ATOM 0 H GLY A 101 -3.903 -1.504 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.885 -3.669 5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.516 -3.044 7.290 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.020 -1.485 4.769 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.091 -0.512 4.406 1.00 0.00 C ATOM 1551 C HIS A 102 -7.985 0.836 5.154 1.00 0.00 C ATOM 1552 O HIS A 102 -6.926 1.195 5.654 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.487 -1.141 4.615 1.00 0.00 C ATOM 1554 CG HIS A 102 -9.793 -1.569 6.027 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -10.391 -0.745 6.955 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -9.595 -2.752 6.658 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -10.543 -1.397 8.090 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -10.070 -2.615 7.938 1.00 0.00 N ATOM 0 H HIS A 102 -6.673 -2.019 3.972 1.00 0.00 H new ATOM 0 HA HIS A 102 -7.948 -0.283 3.350 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.243 -0.422 4.298 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.579 -2.009 3.961 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -9.147 -3.638 6.233 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -10.982 -0.999 8.993 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -10.058 -3.340 8.655 1.00 0.00 H new