USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 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 59 TYR OH : rot 100:sc= 0 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -156:sc= -0.173 (180deg=-0.726) USER MOD Single : A 31 ASN : amide:sc= 0.636 K(o=0.64,f=-4.3!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= -0.0342 (180deg=-0.275) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= -2.06 (180deg=-2.38) USER MOD Single : A 49 CYS SG : rot -56:sc= -2.3 USER MOD Single : A 50 GLN : amide:sc= -0.0403 K(o=-0.04,f=-2.5!) USER MOD Single : A 62 TYR OH : rot 0:sc= -0.61 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.9!) USER MOD Single : A 70 CYS SG : rot -25:sc= 0.49 USER MOD Single : A 71 HIS : no HE2:sc= -4.46! C(o=-4.5!,f=-6.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -12.6! C(o=-13!,f=-12!) USER MOD Single : A 80 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.0076) USER MOD Single : A 86 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.337) USER MOD Single : A 90 ASN : amide:sc= -7.15! C(o=-7.2!,f=-21!) USER MOD Single : A 91 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.171) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -120:sc= -0.91 (180deg=-4.19!) USER MOD Single : A 96 TYR OH : rot 18:sc= -0.832 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 358 N PRO A 29 -13.590 6.166 -0.827 1.00 0.00 N ATOM 359 CA PRO A 29 -12.958 5.016 -1.479 1.00 0.00 C ATOM 360 C PRO A 29 -13.311 4.923 -2.960 1.00 0.00 C ATOM 361 O PRO A 29 -13.967 5.809 -3.509 1.00 0.00 O ATOM 362 CB PRO A 29 -13.529 3.817 -0.717 1.00 0.00 C ATOM 363 CG PRO A 29 -14.832 4.297 -0.178 1.00 0.00 C ATOM 364 CD PRO A 29 -14.645 5.760 0.117 1.00 0.00 C ATOM 0 HA PRO A 29 -11.870 5.078 -1.449 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.665 2.958 -1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.861 3.502 0.085 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.633 4.144 -0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.107 3.749 0.723 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.565 6.323 -0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.344 5.926 1.151 1.00 0.00 H new ATOM 372 N LEU A 30 -12.873 3.845 -3.601 1.00 0.00 N ATOM 373 CA LEU A 30 -13.143 3.636 -5.019 1.00 0.00 C ATOM 374 C LEU A 30 -14.384 2.771 -5.215 1.00 0.00 C ATOM 375 O LEU A 30 -14.669 1.886 -4.410 1.00 0.00 O ATOM 376 CB LEU A 30 -11.939 2.982 -5.698 1.00 0.00 C ATOM 377 CG LEU A 30 -11.893 3.077 -7.223 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.518 2.686 -7.742 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.970 2.200 -7.845 1.00 0.00 C ATOM 0 H LEU A 30 -12.329 3.102 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.325 4.609 -5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.032 3.435 -5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.918 1.928 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.085 4.111 -7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.505 2.760 -8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.767 3.356 -7.324 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.295 1.661 -7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.922 2.280 -8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.810 1.163 -7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.951 2.528 -7.500 1.00 0.00 H new ATOM 391 N ASN A 31 -15.117 3.032 -6.293 1.00 0.00 N ATOM 392 CA ASN A 31 -16.327 2.275 -6.596 1.00 0.00 C ATOM 393 C ASN A 31 -15.994 1.006 -7.374 1.00 0.00 C ATOM 394 O ASN A 31 -15.869 1.029 -8.599 1.00 0.00 O ATOM 395 CB ASN A 31 -17.304 3.137 -7.398 1.00 0.00 C ATOM 396 CG ASN A 31 -16.634 3.839 -8.563 1.00 0.00 C ATOM 397 OD1 ASN A 31 -15.708 4.627 -8.378 1.00 0.00 O ATOM 398 ND2 ASN A 31 -17.102 3.554 -9.773 1.00 0.00 N ATOM 0 H ASN A 31 -14.895 3.761 -6.971 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.794 1.990 -5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.114 2.511 -7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.754 3.880 -6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.691 3.995 -10.596 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.872 2.894 -9.879 1.00 0.00 H new ATOM 405 N LEU A 32 -15.851 -0.102 -6.654 1.00 0.00 N ATOM 406 CA LEU A 32 -15.534 -1.383 -7.276 1.00 0.00 C ATOM 407 C LEU A 32 -16.704 -1.886 -8.114 1.00 0.00 C ATOM 408 O LEU A 32 -16.543 -2.222 -9.288 1.00 0.00 O ATOM 409 CB LEU A 32 -15.175 -2.416 -6.206 1.00 0.00 C ATOM 410 CG LEU A 32 -14.170 -1.965 -5.147 1.00 0.00 C ATOM 411 CD1 LEU A 32 -14.062 -2.999 -4.037 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.808 -1.713 -5.777 1.00 0.00 C ATOM 0 H LEU A 32 -15.950 -0.139 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.677 -1.238 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.092 -2.720 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.776 -3.300 -6.703 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.526 -1.031 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.342 -2.660 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.036 -3.130 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.731 -3.949 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.105 -1.393 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.446 -2.631 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.896 -0.935 -6.535 1.00 0.00 H new ATOM 424 N THR A 33 -17.885 -1.935 -7.504 1.00 0.00 N ATOM 425 CA THR A 33 -19.083 -2.397 -8.194 1.00 0.00 C ATOM 426 C THR A 33 -19.138 -1.859 -9.619 1.00 0.00 C ATOM 427 O THR A 33 -19.394 -0.675 -9.837 1.00 0.00 O ATOM 428 CB THR A 33 -20.360 -1.970 -7.446 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.518 -2.442 -8.146 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.427 -0.457 -7.308 1.00 0.00 C ATOM 0 H THR A 33 -18.037 -1.660 -6.533 1.00 0.00 H new ATOM 0 HA THR A 33 -19.033 -3.486 -8.222 1.00 0.00 H new ATOM 0 HB THR A 33 -20.334 -2.409 -6.448 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.326 -2.168 -7.664 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.337 -0.180 -6.777 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.560 -0.104 -6.750 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.432 -0.001 -8.298 1.00 0.00 H new ATOM 438 N GLY A 34 -18.898 -2.737 -10.588 1.00 0.00 N ATOM 439 CA GLY A 34 -18.926 -2.331 -11.981 1.00 0.00 C ATOM 440 C GLY A 34 -17.631 -2.647 -12.703 1.00 0.00 C ATOM 441 O GLY A 34 -17.634 -3.330 -13.728 1.00 0.00 O ATOM 0 H GLY A 34 -18.685 -3.722 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.752 -2.833 -12.486 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.119 -1.260 -12.040 1.00 0.00 H new ATOM 445 N LEU A 35 -16.522 -2.147 -12.170 1.00 0.00 N ATOM 446 CA LEU A 35 -15.213 -2.378 -12.772 1.00 0.00 C ATOM 447 C LEU A 35 -15.003 -3.860 -13.067 1.00 0.00 C ATOM 448 O LEU A 35 -15.425 -4.735 -12.310 1.00 0.00 O ATOM 449 CB LEU A 35 -14.107 -1.870 -11.845 1.00 0.00 C ATOM 450 CG LEU A 35 -13.839 -0.365 -11.882 1.00 0.00 C ATOM 451 CD1 LEU A 35 -13.027 0.063 -10.670 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.123 0.018 -13.169 1.00 0.00 C ATOM 0 H LEU A 35 -16.503 -1.579 -11.323 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.171 -1.829 -13.713 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.361 -2.148 -10.822 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.182 -2.390 -12.096 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.796 0.156 -11.854 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.846 1.137 -10.714 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.578 -0.175 -9.760 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.074 -0.465 -10.666 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.941 1.093 -13.178 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.172 -0.512 -13.228 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.743 -0.252 -14.024 1.00 0.00 H new ATOM 464 N PRO A 36 -14.334 -4.151 -14.192 1.00 0.00 N ATOM 465 CA PRO A 36 -14.051 -5.526 -14.612 1.00 0.00 C ATOM 466 C PRO A 36 -13.027 -6.208 -13.711 1.00 0.00 C ATOM 467 O PRO A 36 -11.995 -5.627 -13.377 1.00 0.00 O ATOM 468 CB PRO A 36 -13.490 -5.357 -16.026 1.00 0.00 C ATOM 469 CG PRO A 36 -12.926 -3.979 -16.048 1.00 0.00 C ATOM 470 CD PRO A 36 -13.802 -3.159 -15.142 1.00 0.00 C ATOM 0 HA PRO A 36 -14.938 -6.158 -14.563 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.723 -6.102 -16.239 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.270 -5.478 -16.778 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.893 -3.975 -15.701 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.924 -3.574 -17.060 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.235 -2.379 -14.633 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.600 -2.664 -15.695 1.00 0.00 H new ATOM 478 N GLY A 37 -13.319 -7.445 -13.321 1.00 0.00 N ATOM 479 CA GLY A 37 -12.413 -8.186 -12.462 1.00 0.00 C ATOM 480 C GLY A 37 -12.862 -8.193 -11.014 1.00 0.00 C ATOM 481 O GLY A 37 -12.233 -8.823 -10.164 1.00 0.00 O ATOM 0 H GLY A 37 -14.167 -7.947 -13.584 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.336 -9.213 -12.820 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.416 -7.750 -12.528 1.00 0.00 H new ATOM 485 N THR A 38 -13.954 -7.488 -10.732 1.00 0.00 N ATOM 486 CA THR A 38 -14.485 -7.413 -9.377 1.00 0.00 C ATOM 487 C THR A 38 -15.023 -8.765 -8.922 1.00 0.00 C ATOM 488 O THR A 38 -15.299 -8.967 -7.740 1.00 0.00 O ATOM 489 CB THR A 38 -15.608 -6.364 -9.271 1.00 0.00 C ATOM 490 OG1 THR A 38 -15.129 -5.088 -9.711 1.00 0.00 O ATOM 491 CG2 THR A 38 -16.114 -6.256 -7.841 1.00 0.00 C ATOM 0 H THR A 38 -14.487 -6.961 -11.424 1.00 0.00 H new ATOM 0 HA THR A 38 -13.659 -7.117 -8.730 1.00 0.00 H new ATOM 0 HB THR A 38 -16.433 -6.681 -9.908 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.244 -5.012 -10.681 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.906 -5.509 -7.791 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.504 -7.222 -7.519 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.294 -5.960 -7.186 1.00 0.00 H new ATOM 499 N GLU A 39 -15.170 -9.687 -9.868 1.00 0.00 N ATOM 500 CA GLU A 39 -15.676 -11.020 -9.562 1.00 0.00 C ATOM 501 C GLU A 39 -14.532 -12.022 -9.440 1.00 0.00 C ATOM 502 O GLU A 39 -14.663 -13.056 -8.784 1.00 0.00 O ATOM 503 CB GLU A 39 -16.656 -11.478 -10.644 1.00 0.00 C ATOM 504 CG GLU A 39 -15.977 -12.033 -11.885 1.00 0.00 C ATOM 505 CD GLU A 39 -16.965 -12.600 -12.886 1.00 0.00 C ATOM 506 OE1 GLU A 39 -17.943 -13.246 -12.456 1.00 0.00 O ATOM 507 OE2 GLU A 39 -16.759 -12.397 -14.101 1.00 0.00 O ATOM 0 H GLU A 39 -14.946 -9.536 -10.852 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.197 -10.972 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.313 -12.241 -10.228 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.287 -10.637 -10.931 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.396 -11.243 -12.361 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.274 -12.813 -11.592 1.00 0.00 H new ATOM 514 N LYS A 40 -13.408 -11.708 -10.076 1.00 0.00 N ATOM 515 CA LYS A 40 -12.239 -12.578 -10.040 1.00 0.00 C ATOM 516 C LYS A 40 -11.613 -12.590 -8.649 1.00 0.00 C ATOM 517 O LYS A 40 -11.448 -13.648 -8.041 1.00 0.00 O ATOM 518 CB LYS A 40 -11.205 -12.121 -11.072 1.00 0.00 C ATOM 519 CG LYS A 40 -11.472 -12.645 -12.473 1.00 0.00 C ATOM 520 CD LYS A 40 -10.233 -12.552 -13.348 1.00 0.00 C ATOM 521 CE LYS A 40 -10.551 -12.878 -14.799 1.00 0.00 C ATOM 522 NZ LYS A 40 -10.438 -14.337 -15.077 1.00 0.00 N ATOM 0 H LYS A 40 -13.282 -10.856 -10.623 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.563 -13.590 -10.283 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.187 -11.031 -11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.216 -12.449 -10.753 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.803 -13.682 -12.418 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.283 -12.076 -12.927 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.815 -11.548 -13.283 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.472 -13.239 -12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.560 -12.541 -15.034 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.871 -12.330 -15.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.662 -14.518 -16.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.468 -14.654 -14.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.105 -14.858 -14.472 1.00 0.00 H new ATOM 536 N LEU A 41 -11.267 -11.408 -8.150 1.00 0.00 N ATOM 537 CA LEU A 41 -10.661 -11.283 -6.830 1.00 0.00 C ATOM 538 C LEU A 41 -11.717 -11.382 -5.734 1.00 0.00 C ATOM 539 O LEU A 41 -12.890 -11.630 -6.009 1.00 0.00 O ATOM 540 CB LEU A 41 -9.913 -9.954 -6.714 1.00 0.00 C ATOM 541 CG LEU A 41 -10.618 -8.733 -7.308 1.00 0.00 C ATOM 542 CD1 LEU A 41 -12.044 -8.637 -6.790 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.845 -7.462 -6.987 1.00 0.00 C ATOM 0 H LEU A 41 -11.396 -10.523 -8.640 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.954 -12.103 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.720 -9.760 -5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.944 -10.062 -7.201 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.653 -8.849 -8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.530 -7.763 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.594 -9.535 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.031 -8.544 -5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.361 -6.604 -7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.778 -7.340 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.842 -7.530 -7.408 1.00 0.00 H new ATOM 555 N ASN A 42 -11.292 -11.184 -4.490 1.00 0.00 N ATOM 556 CA ASN A 42 -12.202 -11.249 -3.352 1.00 0.00 C ATOM 557 C ASN A 42 -12.090 -9.993 -2.493 1.00 0.00 C ATOM 558 O ASN A 42 -11.345 -9.071 -2.821 1.00 0.00 O ATOM 559 CB ASN A 42 -11.904 -12.488 -2.505 1.00 0.00 C ATOM 560 CG ASN A 42 -11.933 -13.767 -3.320 1.00 0.00 C ATOM 561 OD1 ASN A 42 -12.943 -14.470 -3.356 1.00 0.00 O ATOM 562 ND2 ASN A 42 -10.821 -14.074 -3.978 1.00 0.00 N ATOM 0 H ASN A 42 -10.324 -10.977 -4.245 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.220 -11.315 -3.736 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.924 -12.379 -2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.634 -12.558 -1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.780 -14.923 -4.543 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.008 -13.461 -3.919 1.00 0.00 H new ATOM 569 N GLU A 43 -12.836 -9.967 -1.393 1.00 0.00 N ATOM 570 CA GLU A 43 -12.820 -8.824 -0.488 1.00 0.00 C ATOM 571 C GLU A 43 -11.391 -8.460 -0.095 1.00 0.00 C ATOM 572 O GLU A 43 -11.030 -7.284 -0.042 1.00 0.00 O ATOM 573 CB GLU A 43 -13.644 -9.127 0.766 1.00 0.00 C ATOM 574 CG GLU A 43 -13.277 -10.443 1.432 1.00 0.00 C ATOM 575 CD GLU A 43 -14.120 -10.730 2.659 1.00 0.00 C ATOM 576 OE1 GLU A 43 -13.766 -10.239 3.751 1.00 0.00 O ATOM 577 OE2 GLU A 43 -15.134 -11.447 2.527 1.00 0.00 O ATOM 0 H GLU A 43 -13.458 -10.723 -1.107 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.262 -7.975 -1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.510 -8.317 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.701 -9.146 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.397 -11.255 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.225 -10.422 1.715 1.00 0.00 H new ATOM 584 N LYS A 44 -10.582 -9.478 0.179 1.00 0.00 N ATOM 585 CA LYS A 44 -9.192 -9.268 0.566 1.00 0.00 C ATOM 586 C LYS A 44 -8.517 -8.258 -0.357 1.00 0.00 C ATOM 587 O LYS A 44 -7.880 -7.311 0.105 1.00 0.00 O ATOM 588 CB LYS A 44 -8.427 -10.593 0.535 1.00 0.00 C ATOM 589 CG LYS A 44 -8.483 -11.358 1.847 1.00 0.00 C ATOM 590 CD LYS A 44 -7.353 -10.950 2.778 1.00 0.00 C ATOM 591 CE LYS A 44 -6.036 -11.592 2.370 1.00 0.00 C ATOM 592 NZ LYS A 44 -6.042 -13.064 2.597 1.00 0.00 N ATOM 0 H LYS A 44 -10.865 -10.457 0.140 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.179 -8.871 1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.834 -11.219 -0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.385 -10.396 0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.441 -11.177 2.334 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.424 -12.428 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.248 -9.865 2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.599 -11.240 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.844 -11.388 1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.221 -11.141 2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.064 -13.418 2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.492 -13.272 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.574 -13.531 1.835 1.00 0.00 H new ATOM 606 N GLU A 45 -8.662 -8.466 -1.662 1.00 0.00 N ATOM 607 CA GLU A 45 -8.066 -7.572 -2.648 1.00 0.00 C ATOM 608 C GLU A 45 -8.929 -6.329 -2.847 1.00 0.00 C ATOM 609 O GLU A 45 -8.443 -5.201 -2.761 1.00 0.00 O ATOM 610 CB GLU A 45 -7.883 -8.298 -3.982 1.00 0.00 C ATOM 611 CG GLU A 45 -7.192 -9.645 -3.852 1.00 0.00 C ATOM 612 CD GLU A 45 -8.166 -10.778 -3.598 1.00 0.00 C ATOM 613 OE1 GLU A 45 -8.654 -10.895 -2.454 1.00 0.00 O ATOM 614 OE2 GLU A 45 -8.442 -11.548 -4.542 1.00 0.00 O ATOM 0 H GLU A 45 -9.186 -9.245 -2.061 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.090 -7.260 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.860 -8.443 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.303 -7.665 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.631 -9.851 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.470 -9.602 -3.036 1.00 0.00 H new ATOM 621 N LYS A 46 -10.213 -6.544 -3.114 1.00 0.00 N ATOM 622 CA LYS A 46 -11.146 -5.443 -3.325 1.00 0.00 C ATOM 623 C LYS A 46 -10.860 -4.295 -2.362 1.00 0.00 C ATOM 624 O LYS A 46 -11.021 -3.126 -2.711 1.00 0.00 O ATOM 625 CB LYS A 46 -12.586 -5.927 -3.145 1.00 0.00 C ATOM 626 CG LYS A 46 -13.134 -6.669 -4.352 1.00 0.00 C ATOM 627 CD LYS A 46 -14.256 -7.616 -3.962 1.00 0.00 C ATOM 628 CE LYS A 46 -15.543 -6.863 -3.662 1.00 0.00 C ATOM 629 NZ LYS A 46 -16.241 -6.441 -4.908 1.00 0.00 N ATOM 0 H LYS A 46 -10.631 -7.471 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.016 -5.079 -4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.634 -6.581 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.225 -5.069 -2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.501 -5.951 -5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.332 -7.231 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.430 -8.328 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -13.958 -8.193 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.205 -7.496 -3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.318 -5.985 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.201 -6.116 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.712 -5.666 -5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.298 -7.246 -5.564 1.00 0.00 H new ATOM 643 N GLU A 47 -10.433 -4.637 -1.151 1.00 0.00 N ATOM 644 CA GLU A 47 -10.124 -3.634 -0.139 1.00 0.00 C ATOM 645 C GLU A 47 -9.008 -2.708 -0.613 1.00 0.00 C ATOM 646 O GLU A 47 -9.124 -1.484 -0.531 1.00 0.00 O ATOM 647 CB GLU A 47 -9.718 -4.309 1.173 1.00 0.00 C ATOM 648 CG GLU A 47 -8.796 -3.462 2.034 1.00 0.00 C ATOM 649 CD GLU A 47 -8.876 -3.821 3.505 1.00 0.00 C ATOM 650 OE1 GLU A 47 -9.964 -3.658 4.096 1.00 0.00 O ATOM 651 OE2 GLU A 47 -7.852 -4.265 4.064 1.00 0.00 O ATOM 0 H GLU A 47 -10.293 -5.600 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.021 -3.038 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.616 -4.547 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.224 -5.254 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.769 -3.585 1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.051 -2.410 1.906 1.00 0.00 H new ATOM 658 N LEU A 48 -7.927 -3.300 -1.110 1.00 0.00 N ATOM 659 CA LEU A 48 -6.789 -2.530 -1.598 1.00 0.00 C ATOM 660 C LEU A 48 -7.216 -1.566 -2.700 1.00 0.00 C ATOM 661 O LEU A 48 -6.677 -0.465 -2.819 1.00 0.00 O ATOM 662 CB LEU A 48 -5.699 -3.468 -2.119 1.00 0.00 C ATOM 663 CG LEU A 48 -4.782 -4.085 -1.062 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.965 -5.219 -1.661 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.869 -3.025 -0.464 1.00 0.00 C ATOM 0 H LEU A 48 -7.815 -4.311 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.392 -1.948 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.177 -4.276 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.082 -2.917 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.402 -4.494 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.318 -5.646 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.636 -5.990 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.354 -4.835 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.224 -3.482 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.256 -2.586 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.472 -2.246 0.002 1.00 0.00 H new ATOM 677 N CYS A 49 -8.188 -1.986 -3.502 1.00 0.00 N ATOM 678 CA CYS A 49 -8.689 -1.159 -4.594 1.00 0.00 C ATOM 679 C CYS A 49 -9.315 0.126 -4.061 1.00 0.00 C ATOM 680 O CYS A 49 -9.280 1.165 -4.720 1.00 0.00 O ATOM 681 CB CYS A 49 -9.716 -1.935 -5.420 1.00 0.00 C ATOM 682 SG CYS A 49 -8.988 -3.124 -6.573 1.00 0.00 S ATOM 0 H CYS A 49 -8.645 -2.894 -3.417 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.846 -0.894 -5.231 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.386 -2.465 -4.743 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.325 -1.227 -5.981 1.00 0.00 H new ATOM 0 HG CYS A 49 -8.152 -2.511 -7.358 1.00 0.00 H new ATOM 688 N GLN A 50 -9.889 0.046 -2.864 1.00 0.00 N ATOM 689 CA GLN A 50 -10.524 1.202 -2.244 1.00 0.00 C ATOM 690 C GLN A 50 -9.505 2.037 -1.476 1.00 0.00 C ATOM 691 O GLN A 50 -9.408 3.249 -1.669 1.00 0.00 O ATOM 692 CB GLN A 50 -11.644 0.752 -1.304 1.00 0.00 C ATOM 693 CG GLN A 50 -12.669 -0.153 -1.969 1.00 0.00 C ATOM 694 CD GLN A 50 -13.954 -0.264 -1.171 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.701 0.705 -1.037 1.00 0.00 O ATOM 696 NE2 GLN A 50 -14.218 -1.451 -0.637 1.00 0.00 N ATOM 0 H GLN A 50 -9.927 -0.807 -2.306 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.949 1.819 -3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.206 0.228 -0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.151 1.632 -0.909 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.895 0.230 -2.964 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.240 -1.146 -2.100 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.570 -2.227 -0.774 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.068 -1.587 -0.090 1.00 0.00 H new ATOM 705 N VAL A 51 -8.747 1.381 -0.604 1.00 0.00 N ATOM 706 CA VAL A 51 -7.734 2.063 0.193 1.00 0.00 C ATOM 707 C VAL A 51 -6.619 2.613 -0.689 1.00 0.00 C ATOM 708 O VAL A 51 -5.992 3.620 -0.360 1.00 0.00 O ATOM 709 CB VAL A 51 -7.121 1.121 1.247 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.158 1.881 2.146 1.00 0.00 C ATOM 711 CG2 VAL A 51 -8.217 0.456 2.067 1.00 0.00 C ATOM 0 H VAL A 51 -8.815 0.378 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.234 2.889 0.700 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.560 0.341 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.735 1.200 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.356 2.306 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.692 2.682 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.767 -0.206 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.806 1.220 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.864 -0.123 1.408 1.00 0.00 H new ATOM 721 N VAL A 52 -6.377 1.947 -1.813 1.00 0.00 N ATOM 722 CA VAL A 52 -5.339 2.370 -2.745 1.00 0.00 C ATOM 723 C VAL A 52 -5.940 3.087 -3.949 1.00 0.00 C ATOM 724 O VAL A 52 -5.219 3.543 -4.836 1.00 0.00 O ATOM 725 CB VAL A 52 -4.505 1.172 -3.238 1.00 0.00 C ATOM 726 CG1 VAL A 52 -3.217 1.651 -3.890 1.00 0.00 C ATOM 727 CG2 VAL A 52 -4.210 0.220 -2.089 1.00 0.00 C ATOM 0 H VAL A 52 -6.886 1.111 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.689 3.058 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.084 0.632 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.641 0.791 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.455 2.290 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.630 2.216 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.620 -0.620 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.651 0.746 -1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.147 -0.149 -1.672 1.00 0.00 H new ATOM 737 N ARG A 53 -7.265 3.183 -3.973 1.00 0.00 N ATOM 738 CA ARG A 53 -7.964 3.844 -5.068 1.00 0.00 C ATOM 739 C ARG A 53 -7.529 3.271 -6.414 1.00 0.00 C ATOM 740 O ARG A 53 -7.277 4.013 -7.364 1.00 0.00 O ATOM 741 CB ARG A 53 -7.701 5.350 -5.034 1.00 0.00 C ATOM 742 CG ARG A 53 -8.034 5.996 -3.699 1.00 0.00 C ATOM 743 CD ARG A 53 -6.847 5.957 -2.749 1.00 0.00 C ATOM 744 NE ARG A 53 -7.142 6.611 -1.477 1.00 0.00 N ATOM 745 CZ ARG A 53 -6.256 6.744 -0.496 1.00 0.00 C ATOM 746 NH1 ARG A 53 -5.026 6.271 -0.641 1.00 0.00 N ATOM 747 NH2 ARG A 53 -6.600 7.352 0.632 1.00 0.00 N ATOM 0 H ARG A 53 -7.876 2.811 -3.246 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.032 3.666 -4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.651 5.532 -5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.288 5.831 -5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.339 7.030 -3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.881 5.481 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.563 4.921 -2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.992 6.444 -3.217 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.080 6.986 -1.334 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.758 5.804 -1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.348 6.374 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.545 7.718 0.746 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.919 7.454 1.385 1.00 0.00 H new ATOM 761 N LEU A 54 -7.443 1.948 -6.488 1.00 0.00 N ATOM 762 CA LEU A 54 -7.038 1.275 -7.718 1.00 0.00 C ATOM 763 C LEU A 54 -8.113 0.298 -8.183 1.00 0.00 C ATOM 764 O LEU A 54 -8.772 -0.351 -7.370 1.00 0.00 O ATOM 765 CB LEU A 54 -5.717 0.534 -7.506 1.00 0.00 C ATOM 766 CG LEU A 54 -4.801 0.433 -8.726 1.00 0.00 C ATOM 767 CD1 LEU A 54 -3.429 -0.085 -8.322 1.00 0.00 C ATOM 768 CD2 LEU A 54 -5.421 -0.464 -9.786 1.00 0.00 C ATOM 0 H LEU A 54 -7.648 1.319 -5.711 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.903 2.033 -8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.169 1.031 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.941 -0.475 -7.160 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.680 1.430 -9.149 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.791 -0.150 -9.203 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.981 0.597 -7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.531 -1.073 -7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.755 -0.524 -10.647 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.573 -1.462 -9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.380 -0.050 -10.097 1.00 0.00 H new ATOM 780 N VAL A 55 -8.284 0.196 -9.497 1.00 0.00 N ATOM 781 CA VAL A 55 -9.277 -0.704 -10.072 1.00 0.00 C ATOM 782 C VAL A 55 -8.851 -2.160 -9.921 1.00 0.00 C ATOM 783 O VAL A 55 -7.675 -2.505 -10.046 1.00 0.00 O ATOM 784 CB VAL A 55 -9.513 -0.402 -11.563 1.00 0.00 C ATOM 785 CG1 VAL A 55 -9.677 1.094 -11.786 1.00 0.00 C ATOM 786 CG2 VAL A 55 -8.371 -0.952 -12.405 1.00 0.00 C ATOM 0 H VAL A 55 -7.747 0.726 -10.184 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.206 -0.541 -9.525 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.434 -0.895 -11.874 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.843 1.288 -12.846 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.531 1.456 -11.213 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.775 1.612 -11.459 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.554 -0.730 -13.456 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.434 -0.490 -12.094 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.305 -2.031 -12.269 1.00 0.00 H new ATOM 796 N PRO A 56 -9.828 -3.037 -9.646 1.00 0.00 N ATOM 797 CA PRO A 56 -9.578 -4.471 -9.473 1.00 0.00 C ATOM 798 C PRO A 56 -9.198 -5.156 -10.782 1.00 0.00 C ATOM 799 O PRO A 56 -8.453 -6.134 -10.788 1.00 0.00 O ATOM 800 CB PRO A 56 -10.918 -5.005 -8.960 1.00 0.00 C ATOM 801 CG PRO A 56 -11.931 -4.038 -9.468 1.00 0.00 C ATOM 802 CD PRO A 56 -11.251 -2.697 -9.484 1.00 0.00 C ATOM 0 HA PRO A 56 -8.742 -4.660 -8.800 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.111 -6.012 -9.331 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.932 -5.058 -7.871 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.270 -4.316 -10.466 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.811 -4.022 -8.826 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.611 -2.074 -10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.430 -2.145 -8.561 1.00 0.00 H new ATOM 810 N GLY A 57 -9.715 -4.633 -11.890 1.00 0.00 N ATOM 811 CA GLY A 57 -9.418 -5.206 -13.189 1.00 0.00 C ATOM 812 C GLY A 57 -7.950 -5.093 -13.551 1.00 0.00 C ATOM 813 O GLY A 57 -7.441 -5.871 -14.356 1.00 0.00 O ATOM 0 H GLY A 57 -10.334 -3.823 -11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.711 -6.256 -13.195 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.016 -4.704 -13.949 1.00 0.00 H new ATOM 817 N ALA A 58 -7.269 -4.119 -12.956 1.00 0.00 N ATOM 818 CA ALA A 58 -5.852 -3.906 -13.220 1.00 0.00 C ATOM 819 C ALA A 58 -4.987 -4.638 -12.199 1.00 0.00 C ATOM 820 O ALA A 58 -4.043 -5.340 -12.561 1.00 0.00 O ATOM 821 CB ALA A 58 -5.531 -2.419 -13.215 1.00 0.00 C ATOM 0 H ALA A 58 -7.676 -3.465 -12.288 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.627 -4.312 -14.206 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.469 -2.275 -13.414 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.115 -1.918 -13.987 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.778 -1.997 -12.241 1.00 0.00 H new ATOM 827 N TYR A 59 -5.316 -4.470 -10.924 1.00 0.00 N ATOM 828 CA TYR A 59 -4.567 -5.113 -9.850 1.00 0.00 C ATOM 829 C TYR A 59 -4.237 -6.559 -10.207 1.00 0.00 C ATOM 830 O TYR A 59 -3.211 -7.096 -9.785 1.00 0.00 O ATOM 831 CB TYR A 59 -5.365 -5.067 -8.546 1.00 0.00 C ATOM 832 CG TYR A 59 -4.974 -6.145 -7.559 1.00 0.00 C ATOM 833 CD1 TYR A 59 -3.916 -5.957 -6.678 1.00 0.00 C ATOM 834 CD2 TYR A 59 -5.662 -7.351 -7.509 1.00 0.00 C ATOM 835 CE1 TYR A 59 -3.555 -6.939 -5.776 1.00 0.00 C ATOM 836 CE2 TYR A 59 -5.309 -8.337 -6.609 1.00 0.00 C ATOM 837 CZ TYR A 59 -4.255 -8.127 -5.745 1.00 0.00 C ATOM 838 OH TYR A 59 -3.899 -9.108 -4.847 1.00 0.00 O ATOM 0 H TYR A 59 -6.096 -3.894 -10.608 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.632 -4.569 -9.716 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.227 -4.092 -8.080 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.426 -5.164 -8.775 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.367 -5.027 -6.699 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.487 -7.520 -8.185 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.729 -6.777 -5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.856 -9.268 -6.582 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.504 -9.081 -4.076 1.00 0.00 H new ATOM 848 N LEU A 60 -5.112 -7.184 -10.987 1.00 0.00 N ATOM 849 CA LEU A 60 -4.914 -8.568 -11.403 1.00 0.00 C ATOM 850 C LEU A 60 -3.803 -8.671 -12.442 1.00 0.00 C ATOM 851 O LEU A 60 -2.990 -9.594 -12.405 1.00 0.00 O ATOM 852 CB LEU A 60 -6.214 -9.141 -11.970 1.00 0.00 C ATOM 853 CG LEU A 60 -7.408 -9.170 -11.015 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.652 -9.674 -11.731 1.00 0.00 C ATOM 855 CD2 LEU A 60 -7.101 -10.036 -9.802 1.00 0.00 C ATOM 0 H LEU A 60 -5.965 -6.754 -11.344 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.621 -9.147 -10.527 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.491 -8.559 -12.849 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.021 -10.159 -12.310 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.598 -8.153 -10.671 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.491 -9.688 -11.036 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.884 -9.013 -12.567 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.473 -10.682 -12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.962 -10.045 -9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.884 -11.053 -10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.237 -9.631 -9.275 1.00 0.00 H new ATOM 867 N GLU A 61 -3.774 -7.717 -13.367 1.00 0.00 N ATOM 868 CA GLU A 61 -2.762 -7.700 -14.416 1.00 0.00 C ATOM 869 C GLU A 61 -1.358 -7.672 -13.817 1.00 0.00 C ATOM 870 O GLU A 61 -0.484 -8.440 -14.219 1.00 0.00 O ATOM 871 CB GLU A 61 -2.962 -6.490 -15.330 1.00 0.00 C ATOM 872 CG GLU A 61 -3.932 -6.743 -16.472 1.00 0.00 C ATOM 873 CD GLU A 61 -3.639 -8.034 -17.211 1.00 0.00 C ATOM 874 OE1 GLU A 61 -2.660 -8.065 -17.986 1.00 0.00 O ATOM 875 OE2 GLU A 61 -4.389 -9.013 -17.015 1.00 0.00 O ATOM 0 H GLU A 61 -4.440 -6.946 -13.411 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.870 -8.612 -15.004 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.325 -5.652 -14.735 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.998 -6.194 -15.743 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.948 -6.776 -16.080 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.888 -5.909 -17.173 1.00 0.00 H new ATOM 882 N TYR A 62 -1.151 -6.781 -12.854 1.00 0.00 N ATOM 883 CA TYR A 62 0.146 -6.649 -12.201 1.00 0.00 C ATOM 884 C TYR A 62 0.602 -7.985 -11.622 1.00 0.00 C ATOM 885 O TYR A 62 1.740 -8.409 -11.827 1.00 0.00 O ATOM 886 CB TYR A 62 0.079 -5.597 -11.093 1.00 0.00 C ATOM 887 CG TYR A 62 -0.690 -4.355 -11.484 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.757 -3.943 -12.809 1.00 0.00 C ATOM 889 CD2 TYR A 62 -1.351 -3.594 -10.528 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.457 -2.809 -13.170 1.00 0.00 C ATOM 891 CE2 TYR A 62 -2.056 -2.459 -10.880 1.00 0.00 C ATOM 892 CZ TYR A 62 -2.106 -2.070 -12.202 1.00 0.00 C ATOM 893 OH TYR A 62 -2.806 -0.941 -12.558 1.00 0.00 O ATOM 0 H TYR A 62 -1.865 -6.139 -12.508 1.00 0.00 H new ATOM 0 HA TYR A 62 0.871 -6.331 -12.951 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.385 -6.039 -10.211 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.093 -5.313 -10.811 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.253 -4.520 -13.570 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.313 -3.895 -9.491 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.496 -2.502 -14.205 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.565 -1.880 -10.124 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.742 -0.808 -13.527 1.00 0.00 H new ATOM 903 N LYS A 63 -0.294 -8.644 -10.896 1.00 0.00 N ATOM 904 CA LYS A 63 0.012 -9.933 -10.287 1.00 0.00 C ATOM 905 C LYS A 63 0.891 -10.775 -11.207 1.00 0.00 C ATOM 906 O LYS A 63 1.985 -11.191 -10.826 1.00 0.00 O ATOM 907 CB LYS A 63 -1.279 -10.689 -9.966 1.00 0.00 C ATOM 908 CG LYS A 63 -2.141 -10.004 -8.919 1.00 0.00 C ATOM 909 CD LYS A 63 -1.776 -10.455 -7.514 1.00 0.00 C ATOM 910 CE LYS A 63 -2.335 -11.837 -7.211 1.00 0.00 C ATOM 911 NZ LYS A 63 -3.820 -11.871 -7.319 1.00 0.00 N ATOM 0 H LYS A 63 -1.239 -8.306 -10.715 1.00 0.00 H new ATOM 0 HA LYS A 63 0.557 -9.748 -9.361 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.859 -10.806 -10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.027 -11.691 -9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.021 -8.923 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.191 -10.223 -9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.692 -10.468 -7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.161 -9.738 -6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.904 -12.562 -7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.037 -12.137 -6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.192 -12.651 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.213 -10.970 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.093 -12.016 -8.312 1.00 0.00 H new ATOM 925 N SER A 64 0.405 -11.021 -12.419 1.00 0.00 N ATOM 926 CA SER A 64 1.145 -11.815 -13.393 1.00 0.00 C ATOM 927 C SER A 64 2.557 -11.267 -13.579 1.00 0.00 C ATOM 928 O SER A 64 3.539 -12.000 -13.461 1.00 0.00 O ATOM 929 CB SER A 64 0.410 -11.829 -14.735 1.00 0.00 C ATOM 930 OG SER A 64 -0.819 -12.527 -14.635 1.00 0.00 O ATOM 0 H SER A 64 -0.498 -10.682 -12.750 1.00 0.00 H new ATOM 0 HA SER A 64 1.216 -12.835 -13.015 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.225 -10.806 -15.063 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.038 -12.298 -15.492 1.00 0.00 H new ATOM 0 HG SER A 64 -1.271 -12.521 -15.505 1.00 0.00 H new ATOM 936 N ALA A 65 2.649 -9.975 -13.873 1.00 0.00 N ATOM 937 CA ALA A 65 3.940 -9.327 -14.074 1.00 0.00 C ATOM 938 C ALA A 65 4.840 -9.508 -12.857 1.00 0.00 C ATOM 939 O ALA A 65 5.847 -10.215 -12.916 1.00 0.00 O ATOM 940 CB ALA A 65 3.747 -7.849 -14.375 1.00 0.00 C ATOM 0 H ALA A 65 1.845 -9.356 -13.977 1.00 0.00 H new ATOM 0 HA ALA A 65 4.427 -9.799 -14.927 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.719 -7.378 -14.523 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.148 -7.737 -15.279 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.236 -7.371 -13.539 1.00 0.00 H new ATOM 946 N LEU A 66 4.473 -8.865 -11.754 1.00 0.00 N ATOM 947 CA LEU A 66 5.248 -8.955 -10.521 1.00 0.00 C ATOM 948 C LEU A 66 5.767 -10.373 -10.306 1.00 0.00 C ATOM 949 O LEU A 66 6.945 -10.576 -10.011 1.00 0.00 O ATOM 950 CB LEU A 66 4.395 -8.525 -9.327 1.00 0.00 C ATOM 951 CG LEU A 66 4.215 -7.018 -9.138 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.547 -6.723 -7.804 1.00 0.00 C ATOM 953 CD2 LEU A 66 5.556 -6.304 -9.234 1.00 0.00 C ATOM 0 H LEU A 66 3.643 -8.275 -11.688 1.00 0.00 H new ATOM 0 HA LEU A 66 6.103 -8.285 -10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.409 -8.978 -9.428 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.842 -8.934 -8.421 1.00 0.00 H new ATOM 0 HG LEU A 66 3.570 -6.646 -9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.427 -5.646 -7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.568 -7.202 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.166 -7.109 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.408 -5.233 -9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.225 -6.680 -8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.996 -6.487 -10.214 1.00 0.00 H new ATOM 965 N LEU A 67 4.881 -11.351 -10.458 1.00 0.00 N ATOM 966 CA LEU A 67 5.249 -12.751 -10.283 1.00 0.00 C ATOM 967 C LEU A 67 6.208 -13.204 -11.379 1.00 0.00 C ATOM 968 O LEU A 67 7.124 -13.986 -11.132 1.00 0.00 O ATOM 969 CB LEU A 67 3.999 -13.633 -10.288 1.00 0.00 C ATOM 970 CG LEU A 67 3.149 -13.599 -9.017 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.722 -14.032 -9.317 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.762 -14.484 -7.942 1.00 0.00 C ATOM 0 H LEU A 67 3.902 -11.200 -10.702 1.00 0.00 H new ATOM 0 HA LEU A 67 5.752 -12.850 -9.321 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.372 -13.335 -11.129 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.306 -14.663 -10.468 1.00 0.00 H new ATOM 0 HG LEU A 67 3.125 -12.574 -8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.132 -14.002 -8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.284 -13.358 -10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.726 -15.048 -9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.144 -14.448 -7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.817 -15.511 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.765 -14.128 -7.706 1.00 0.00 H new ATOM 984 N ASN A 68 5.991 -12.703 -12.591 1.00 0.00 N ATOM 985 CA ASN A 68 6.838 -13.054 -13.726 1.00 0.00 C ATOM 986 C ASN A 68 8.304 -12.762 -13.422 1.00 0.00 C ATOM 987 O ASN A 68 9.185 -13.555 -13.750 1.00 0.00 O ATOM 988 CB ASN A 68 6.400 -12.283 -14.973 1.00 0.00 C ATOM 989 CG ASN A 68 6.669 -13.052 -16.252 1.00 0.00 C ATOM 990 OD1 ASN A 68 7.772 -13.555 -16.467 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.659 -13.146 -17.109 1.00 0.00 N ATOM 0 H ASN A 68 5.237 -12.053 -12.813 1.00 0.00 H new ATOM 0 HA ASN A 68 6.730 -14.123 -13.911 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.335 -12.060 -14.904 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.924 -11.328 -15.009 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.780 -13.651 -17.987 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.762 -12.713 -16.889 1.00 0.00 H new ATOM 998 N GLU A 69 8.556 -11.619 -12.792 1.00 0.00 N ATOM 999 CA GLU A 69 9.915 -11.223 -12.443 1.00 0.00 C ATOM 1000 C GLU A 69 10.437 -12.044 -11.268 1.00 0.00 C ATOM 1001 O GLU A 69 11.406 -12.793 -11.401 1.00 0.00 O ATOM 1002 CB GLU A 69 9.964 -9.733 -12.100 1.00 0.00 C ATOM 1003 CG GLU A 69 11.290 -9.073 -12.439 1.00 0.00 C ATOM 1004 CD GLU A 69 11.149 -7.590 -12.722 1.00 0.00 C ATOM 1005 OE1 GLU A 69 11.171 -6.798 -11.757 1.00 0.00 O ATOM 1006 OE2 GLU A 69 11.015 -7.222 -13.908 1.00 0.00 O ATOM 0 H GLU A 69 7.837 -10.951 -12.513 1.00 0.00 H new ATOM 0 HA GLU A 69 10.553 -11.411 -13.307 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.165 -9.219 -12.635 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.767 -9.607 -11.035 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.985 -9.217 -11.612 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.724 -9.565 -13.309 1.00 0.00 H new ATOM 1013 N CYS A 70 9.789 -11.898 -10.118 1.00 0.00 N ATOM 1014 CA CYS A 70 10.187 -12.625 -8.918 1.00 0.00 C ATOM 1015 C CYS A 70 10.262 -14.124 -9.189 1.00 0.00 C ATOM 1016 O CYS A 70 10.841 -14.879 -8.408 1.00 0.00 O ATOM 1017 CB CYS A 70 9.205 -12.348 -7.779 1.00 0.00 C ATOM 1018 SG CYS A 70 9.500 -13.335 -6.293 1.00 0.00 S ATOM 0 H CYS A 70 8.985 -11.283 -9.991 1.00 0.00 H new ATOM 0 HA CYS A 70 11.178 -12.278 -8.625 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.258 -11.291 -7.517 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.192 -12.538 -8.133 1.00 0.00 H new ATOM 0 HG CYS A 70 10.117 -14.433 -6.617 1.00 0.00 H new ATOM 1024 N HIS A 71 9.670 -14.549 -10.301 1.00 0.00 N ATOM 1025 CA HIS A 71 9.668 -15.958 -10.675 1.00 0.00 C ATOM 1026 C HIS A 71 11.010 -16.362 -11.278 1.00 0.00 C ATOM 1027 O HIS A 71 11.425 -17.517 -11.179 1.00 0.00 O ATOM 1028 CB HIS A 71 8.542 -16.242 -11.670 1.00 0.00 C ATOM 1029 CG HIS A 71 7.237 -16.581 -11.017 1.00 0.00 C ATOM 1030 ND1 HIS A 71 6.317 -17.443 -11.576 1.00 0.00 N ATOM 1031 CD2 HIS A 71 6.701 -16.169 -9.844 1.00 0.00 C ATOM 1032 CE1 HIS A 71 5.271 -17.545 -10.776 1.00 0.00 C ATOM 1033 NE2 HIS A 71 5.479 -16.783 -9.718 1.00 0.00 N ATOM 0 H HIS A 71 9.186 -13.937 -10.958 1.00 0.00 H new ATOM 0 HA HIS A 71 9.503 -16.548 -9.773 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.404 -15.369 -12.308 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.840 -17.067 -12.318 1.00 0.00 H new ATOM 0 HD1 HIS A 71 6.427 -17.926 -12.468 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.150 -15.485 -9.139 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.394 -18.149 -10.957 1.00 0.00 H new ATOM 1042 N LYS A 72 11.683 -15.404 -11.906 1.00 0.00 N ATOM 1043 CA LYS A 72 12.978 -15.658 -12.525 1.00 0.00 C ATOM 1044 C LYS A 72 14.106 -15.512 -11.508 1.00 0.00 C ATOM 1045 O LYS A 72 14.943 -16.403 -11.366 1.00 0.00 O ATOM 1046 CB LYS A 72 13.205 -14.697 -13.695 1.00 0.00 C ATOM 1047 CG LYS A 72 12.053 -14.660 -14.684 1.00 0.00 C ATOM 1048 CD LYS A 72 12.124 -13.434 -15.578 1.00 0.00 C ATOM 1049 CE LYS A 72 10.746 -13.025 -16.074 1.00 0.00 C ATOM 1050 NZ LYS A 72 10.816 -12.297 -17.371 1.00 0.00 N ATOM 0 H LYS A 72 11.352 -14.444 -12.000 1.00 0.00 H new ATOM 0 HA LYS A 72 12.979 -16.682 -12.898 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.369 -13.693 -13.303 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.115 -14.986 -14.221 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.071 -15.560 -15.298 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.107 -14.662 -14.142 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.574 -12.607 -15.028 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.772 -13.641 -16.430 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.123 -13.912 -16.189 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.265 -12.392 -15.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.856 -12.036 -17.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.389 -11.437 -17.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.252 -12.909 -18.090 1.00 0.00 H new ATOM 1064 N GLN A 73 14.120 -14.386 -10.804 1.00 0.00 N ATOM 1065 CA GLN A 73 15.145 -14.126 -9.800 1.00 0.00 C ATOM 1066 C GLN A 73 14.766 -14.751 -8.461 1.00 0.00 C ATOM 1067 O GLN A 73 15.433 -15.667 -7.982 1.00 0.00 O ATOM 1068 CB GLN A 73 15.353 -12.620 -9.632 1.00 0.00 C ATOM 1069 CG GLN A 73 15.083 -11.823 -10.898 1.00 0.00 C ATOM 1070 CD GLN A 73 13.616 -11.487 -11.074 1.00 0.00 C ATOM 1071 OE1 GLN A 73 12.883 -11.321 -10.099 1.00 0.00 O ATOM 1072 NE2 GLN A 73 13.178 -11.383 -12.324 1.00 0.00 N ATOM 0 H GLN A 73 13.434 -13.639 -10.910 1.00 0.00 H new ATOM 0 HA GLN A 73 16.076 -14.579 -10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 73 14.699 -12.258 -8.838 1.00 0.00 H new ATOM 0 HB3 GLN A 73 16.378 -12.437 -9.309 1.00 0.00 H new ATOM 0 HG2 GLN A 73 15.663 -10.900 -10.872 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.428 -12.392 -11.761 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.820 -11.529 -13.103 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.200 -11.158 -12.505 1.00 0.00 H new ATOM 1081 N GLY A 74 13.691 -14.248 -7.861 1.00 0.00 N ATOM 1082 CA GLY A 74 13.243 -14.770 -6.583 1.00 0.00 C ATOM 1083 C GLY A 74 13.245 -13.715 -5.494 1.00 0.00 C ATOM 1084 O GLY A 74 12.828 -13.977 -4.367 1.00 0.00 O ATOM 0 H GLY A 74 13.123 -13.489 -8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.237 -15.174 -6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.888 -15.597 -6.285 1.00 0.00 H new ATOM 1088 N GLY A 75 13.716 -12.519 -5.832 1.00 0.00 N ATOM 1089 CA GLY A 75 13.762 -11.439 -4.863 1.00 0.00 C ATOM 1090 C GLY A 75 13.367 -10.104 -5.462 1.00 0.00 C ATOM 1091 O GLY A 75 14.179 -9.438 -6.105 1.00 0.00 O ATOM 0 H GLY A 75 14.067 -12.278 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.096 -11.672 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.769 -11.366 -4.453 1.00 0.00 H new ATOM 1095 N LEU A 76 12.115 -9.712 -5.254 1.00 0.00 N ATOM 1096 CA LEU A 76 11.611 -8.448 -5.780 1.00 0.00 C ATOM 1097 C LEU A 76 11.279 -7.481 -4.648 1.00 0.00 C ATOM 1098 O LEU A 76 10.640 -7.857 -3.665 1.00 0.00 O ATOM 1099 CB LEU A 76 10.370 -8.689 -6.641 1.00 0.00 C ATOM 1100 CG LEU A 76 10.074 -7.630 -7.703 1.00 0.00 C ATOM 1101 CD1 LEU A 76 11.032 -7.767 -8.876 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.631 -7.737 -8.175 1.00 0.00 C ATOM 0 H LEU A 76 11.430 -10.251 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 76 12.392 -8.003 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.479 -9.653 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.505 -8.766 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 76 10.218 -6.646 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.806 -7.005 -9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.056 -7.639 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.922 -8.755 -9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.438 -6.976 -8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.461 -8.725 -8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.960 -7.587 -7.329 1.00 0.00 H new ATOM 1114 N ARG A 77 11.714 -6.234 -4.795 1.00 0.00 N ATOM 1115 CA ARG A 77 11.462 -5.213 -3.786 1.00 0.00 C ATOM 1116 C ARG A 77 10.678 -4.045 -4.378 1.00 0.00 C ATOM 1117 O ARG A 77 10.684 -3.830 -5.591 1.00 0.00 O ATOM 1118 CB ARG A 77 12.782 -4.709 -3.199 1.00 0.00 C ATOM 1119 CG ARG A 77 13.744 -4.165 -4.242 1.00 0.00 C ATOM 1120 CD ARG A 77 14.735 -3.187 -3.630 1.00 0.00 C ATOM 1121 NE ARG A 77 15.938 -3.859 -3.145 1.00 0.00 N ATOM 1122 CZ ARG A 77 16.789 -4.504 -3.935 1.00 0.00 C ATOM 1123 NH1 ARG A 77 16.570 -4.564 -5.241 1.00 0.00 N ATOM 1124 NH2 ARG A 77 17.861 -5.090 -3.418 1.00 0.00 N ATOM 0 H ARG A 77 12.243 -5.907 -5.603 1.00 0.00 H new ATOM 0 HA ARG A 77 10.867 -5.663 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.570 -3.927 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.266 -5.525 -2.661 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.285 -4.990 -4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.182 -3.668 -5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.012 -2.439 -4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.259 -2.656 -2.806 1.00 0.00 H new ATOM 0 HE ARG A 77 16.135 -3.831 -2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.747 -4.114 -5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.225 -5.060 -5.846 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.032 -5.045 -2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.514 -5.585 -4.025 1.00 0.00 H new ATOM 1138 N LEU A 78 10.002 -3.295 -3.515 1.00 0.00 N ATOM 1139 CA LEU A 78 9.212 -2.149 -3.951 1.00 0.00 C ATOM 1140 C LEU A 78 9.868 -1.457 -5.142 1.00 0.00 C ATOM 1141 O LEU A 78 9.275 -1.352 -6.215 1.00 0.00 O ATOM 1142 CB LEU A 78 9.039 -1.155 -2.801 1.00 0.00 C ATOM 1143 CG LEU A 78 8.361 0.169 -3.155 1.00 0.00 C ATOM 1144 CD1 LEU A 78 6.857 -0.019 -3.282 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.682 1.228 -2.110 1.00 0.00 C ATOM 0 H LEU A 78 9.985 -3.460 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 78 8.231 -2.512 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.460 -1.638 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.022 -0.937 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 78 8.746 0.507 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.391 0.934 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.646 -0.745 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.454 -0.380 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.191 2.164 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.325 0.897 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.760 1.383 -2.068 1.00 0.00 H new ATOM 1157 N ALA A 79 11.096 -0.989 -4.945 1.00 0.00 N ATOM 1158 CA ALA A 79 11.834 -0.311 -6.003 1.00 0.00 C ATOM 1159 C ALA A 79 11.593 -0.976 -7.354 1.00 0.00 C ATOM 1160 O ALA A 79 11.016 -0.373 -8.258 1.00 0.00 O ATOM 1161 CB ALA A 79 13.321 -0.292 -5.680 1.00 0.00 C ATOM 0 H ALA A 79 11.601 -1.067 -4.062 1.00 0.00 H new ATOM 0 HA ALA A 79 11.473 0.716 -6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.860 0.217 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.482 0.235 -4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.687 -1.315 -5.590 1.00 0.00 H new ATOM 1167 N GLN A 80 12.038 -2.222 -7.483 1.00 0.00 N ATOM 1168 CA GLN A 80 11.871 -2.968 -8.724 1.00 0.00 C ATOM 1169 C GLN A 80 10.395 -3.216 -9.016 1.00 0.00 C ATOM 1170 O GLN A 80 10.012 -3.474 -10.157 1.00 0.00 O ATOM 1171 CB GLN A 80 12.619 -4.300 -8.648 1.00 0.00 C ATOM 1172 CG GLN A 80 13.960 -4.205 -7.939 1.00 0.00 C ATOM 1173 CD GLN A 80 14.964 -5.219 -8.450 1.00 0.00 C ATOM 1174 OE1 GLN A 80 15.452 -6.062 -7.695 1.00 0.00 O ATOM 1175 NE2 GLN A 80 15.279 -5.144 -9.737 1.00 0.00 N ATOM 0 H GLN A 80 12.517 -2.736 -6.743 1.00 0.00 H new ATOM 0 HA GLN A 80 12.288 -2.371 -9.536 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.995 -5.029 -8.131 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.778 -4.676 -9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.365 -3.201 -8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.812 -4.353 -6.869 1.00 0.00 H new ATOM 0 HE21 GLN A 80 14.851 -4.430 -10.326 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.949 -5.801 -10.137 1.00 0.00 H new ATOM 1184 N ALA A 81 9.570 -3.138 -7.976 1.00 0.00 N ATOM 1185 CA ALA A 81 8.136 -3.353 -8.121 1.00 0.00 C ATOM 1186 C ALA A 81 7.495 -2.240 -8.944 1.00 0.00 C ATOM 1187 O ALA A 81 6.723 -2.504 -9.867 1.00 0.00 O ATOM 1188 CB ALA A 81 7.476 -3.448 -6.754 1.00 0.00 C ATOM 0 H ALA A 81 9.871 -2.928 -7.024 1.00 0.00 H new ATOM 0 HA ALA A 81 7.986 -4.294 -8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.405 -3.609 -6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.906 -4.282 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.643 -2.522 -6.204 1.00 0.00 H new ATOM 1194 N ARG A 82 7.818 -0.997 -8.603 1.00 0.00 N ATOM 1195 CA ARG A 82 7.271 0.155 -9.310 1.00 0.00 C ATOM 1196 C ARG A 82 7.804 0.220 -10.738 1.00 0.00 C ATOM 1197 O ARG A 82 7.347 1.028 -11.546 1.00 0.00 O ATOM 1198 CB ARG A 82 7.617 1.447 -8.567 1.00 0.00 C ATOM 1199 CG ARG A 82 8.984 2.008 -8.924 1.00 0.00 C ATOM 1200 CD ARG A 82 9.560 2.837 -7.787 1.00 0.00 C ATOM 1201 NE ARG A 82 11.009 2.982 -7.895 1.00 0.00 N ATOM 1202 CZ ARG A 82 11.604 3.799 -8.757 1.00 0.00 C ATOM 1203 NH1 ARG A 82 10.877 4.541 -9.581 1.00 0.00 N ATOM 1204 NH2 ARG A 82 12.928 3.875 -8.796 1.00 0.00 N ATOM 0 H ARG A 82 8.455 -0.762 -7.842 1.00 0.00 H new ATOM 0 HA ARG A 82 6.187 0.044 -9.349 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.857 2.197 -8.787 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.579 1.260 -7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.664 1.190 -9.160 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.903 2.624 -9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.096 3.823 -7.786 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.313 2.368 -6.835 1.00 0.00 H new ATOM 0 HE ARG A 82 11.597 2.425 -7.274 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.859 4.485 -9.554 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.336 5.168 -10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.490 3.306 -8.164 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.384 4.503 -9.458 1.00 0.00 H new ATOM 1218 N ALA A 83 8.773 -0.638 -11.043 1.00 0.00 N ATOM 1219 CA ALA A 83 9.366 -0.679 -12.373 1.00 0.00 C ATOM 1220 C ALA A 83 8.713 -1.757 -13.232 1.00 0.00 C ATOM 1221 O ALA A 83 9.031 -1.901 -14.414 1.00 0.00 O ATOM 1222 CB ALA A 83 10.866 -0.917 -12.275 1.00 0.00 C ATOM 0 H ALA A 83 9.163 -1.314 -10.386 1.00 0.00 H new ATOM 0 HA ALA A 83 9.192 0.285 -12.851 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.296 -0.945 -13.276 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.326 -0.110 -11.705 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.052 -1.867 -11.773 1.00 0.00 H new ATOM 1228 N LEU A 84 7.799 -2.512 -12.632 1.00 0.00 N ATOM 1229 CA LEU A 84 7.101 -3.578 -13.343 1.00 0.00 C ATOM 1230 C LEU A 84 5.702 -3.132 -13.755 1.00 0.00 C ATOM 1231 O LEU A 84 5.104 -3.698 -14.671 1.00 0.00 O ATOM 1232 CB LEU A 84 7.013 -4.829 -12.467 1.00 0.00 C ATOM 1233 CG LEU A 84 8.167 -5.823 -12.599 1.00 0.00 C ATOM 1234 CD1 LEU A 84 8.392 -6.557 -11.286 1.00 0.00 C ATOM 1235 CD2 LEU A 84 7.893 -6.811 -13.724 1.00 0.00 C ATOM 0 H LEU A 84 7.524 -2.406 -11.656 1.00 0.00 H new ATOM 0 HA LEU A 84 7.668 -3.812 -14.244 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.948 -4.515 -11.425 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.084 -5.348 -12.702 1.00 0.00 H new ATOM 0 HG LEU A 84 9.073 -5.268 -12.841 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.217 -7.260 -11.399 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.633 -5.837 -10.504 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.487 -7.100 -11.013 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.725 -7.511 -13.804 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.976 -7.360 -13.511 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.782 -6.270 -14.664 1.00 0.00 H new ATOM 1247 N ILE A 85 5.187 -2.113 -13.074 1.00 0.00 N ATOM 1248 CA ILE A 85 3.859 -1.590 -13.372 1.00 0.00 C ATOM 1249 C ILE A 85 3.929 -0.129 -13.804 1.00 0.00 C ATOM 1250 O ILE A 85 2.953 0.429 -14.305 1.00 0.00 O ATOM 1251 CB ILE A 85 2.921 -1.710 -12.157 1.00 0.00 C ATOM 1252 CG1 ILE A 85 3.711 -1.547 -10.857 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.196 -3.047 -12.178 1.00 0.00 C ATOM 1254 CD1 ILE A 85 2.893 -1.818 -9.614 1.00 0.00 C ATOM 0 H ILE A 85 5.669 -1.634 -12.313 1.00 0.00 H new ATOM 0 HA ILE A 85 3.459 -2.190 -14.189 1.00 0.00 H new ATOM 0 HB ILE A 85 2.178 -0.915 -12.211 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.566 -2.223 -10.874 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.107 -0.533 -10.807 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.537 -3.117 -11.313 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.606 -3.127 -13.091 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.925 -3.857 -12.145 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.518 -1.683 -8.731 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.053 -1.125 -9.573 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.518 -2.841 -9.641 1.00 0.00 H new ATOM 1266 N LYS A 86 5.091 0.485 -13.608 1.00 0.00 N ATOM 1267 CA LYS A 86 5.291 1.881 -13.980 1.00 0.00 C ATOM 1268 C LYS A 86 4.171 2.757 -13.429 1.00 0.00 C ATOM 1269 O LYS A 86 3.638 3.615 -14.133 1.00 0.00 O ATOM 1270 CB LYS A 86 5.359 2.020 -15.503 1.00 0.00 C ATOM 1271 CG LYS A 86 6.406 1.129 -16.149 1.00 0.00 C ATOM 1272 CD LYS A 86 6.961 1.751 -17.419 1.00 0.00 C ATOM 1273 CE LYS A 86 6.124 1.378 -18.633 1.00 0.00 C ATOM 1274 NZ LYS A 86 4.893 2.211 -18.735 1.00 0.00 N ATOM 0 H LYS A 86 5.909 0.038 -13.194 1.00 0.00 H new ATOM 0 HA LYS A 86 6.235 2.214 -13.548 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.382 1.783 -15.925 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.572 3.059 -15.755 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.219 0.952 -15.445 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.967 0.159 -16.380 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.987 2.836 -17.313 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.989 1.420 -17.569 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.721 1.500 -19.537 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.847 0.326 -18.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.533 2.180 -19.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.169 1.841 -18.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.117 3.194 -18.480 1.00 0.00 H new ATOM 1288 N ILE A 87 3.820 2.536 -12.167 1.00 0.00 N ATOM 1289 CA ILE A 87 2.765 3.307 -11.521 1.00 0.00 C ATOM 1290 C ILE A 87 3.282 4.004 -10.267 1.00 0.00 C ATOM 1291 O ILE A 87 4.341 3.657 -9.744 1.00 0.00 O ATOM 1292 CB ILE A 87 1.567 2.417 -11.143 1.00 0.00 C ATOM 1293 CG1 ILE A 87 1.987 1.372 -10.107 1.00 0.00 C ATOM 1294 CG2 ILE A 87 0.996 1.743 -12.382 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.868 0.959 -9.177 1.00 0.00 C ATOM 0 H ILE A 87 4.251 1.829 -11.571 1.00 0.00 H new ATOM 0 HA ILE A 87 2.437 4.056 -12.241 1.00 0.00 H new ATOM 0 HB ILE A 87 0.791 3.044 -10.705 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.362 0.489 -10.625 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.812 1.770 -9.516 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.150 1.117 -12.098 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.664 2.503 -13.089 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.764 1.125 -12.847 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.238 0.217 -8.470 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.507 1.831 -8.632 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.051 0.531 -9.758 1.00 0.00 H new ATOM 1307 N ASP A 88 2.527 4.987 -9.789 1.00 0.00 N ATOM 1308 CA ASP A 88 2.907 5.731 -8.594 1.00 0.00 C ATOM 1309 C ASP A 88 3.457 4.795 -7.523 1.00 0.00 C ATOM 1310 O ASP A 88 2.750 3.916 -7.029 1.00 0.00 O ATOM 1311 CB ASP A 88 1.707 6.504 -8.046 1.00 0.00 C ATOM 1312 CG ASP A 88 2.115 7.780 -7.336 1.00 0.00 C ATOM 1313 OD1 ASP A 88 3.286 7.874 -6.911 1.00 0.00 O ATOM 1314 OD2 ASP A 88 1.264 8.684 -7.205 1.00 0.00 O ATOM 0 H ASP A 88 1.648 5.287 -10.211 1.00 0.00 H new ATOM 0 HA ASP A 88 3.690 6.438 -8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.031 6.748 -8.865 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.154 5.868 -7.355 1.00 0.00 H new ATOM 1319 N VAL A 89 4.724 4.988 -7.169 1.00 0.00 N ATOM 1320 CA VAL A 89 5.369 4.161 -6.156 1.00 0.00 C ATOM 1321 C VAL A 89 4.551 4.128 -4.870 1.00 0.00 C ATOM 1322 O VAL A 89 4.541 3.127 -4.154 1.00 0.00 O ATOM 1323 CB VAL A 89 6.787 4.670 -5.836 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.737 6.100 -5.319 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.467 3.754 -4.830 1.00 0.00 C ATOM 0 H VAL A 89 5.324 5.710 -7.569 1.00 0.00 H new ATOM 0 HA VAL A 89 5.436 3.153 -6.566 1.00 0.00 H new ATOM 0 HB VAL A 89 7.373 4.662 -6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.748 6.443 -5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.292 6.745 -6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.135 6.138 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.468 4.129 -4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.884 3.728 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.537 2.748 -5.243 1.00 0.00 H new ATOM 1335 N ASN A 90 3.864 5.229 -4.584 1.00 0.00 N ATOM 1336 CA ASN A 90 3.041 5.326 -3.383 1.00 0.00 C ATOM 1337 C ASN A 90 1.870 4.350 -3.446 1.00 0.00 C ATOM 1338 O ASN A 90 1.311 3.967 -2.418 1.00 0.00 O ATOM 1339 CB ASN A 90 2.520 6.754 -3.211 1.00 0.00 C ATOM 1340 CG ASN A 90 1.809 7.264 -4.450 1.00 0.00 C ATOM 1341 OD1 ASN A 90 1.267 6.483 -5.233 1.00 0.00 O ATOM 1342 ND2 ASN A 90 1.808 8.579 -4.632 1.00 0.00 N ATOM 0 H ASN A 90 3.860 6.066 -5.167 1.00 0.00 H new ATOM 0 HA ASN A 90 3.662 5.067 -2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.836 6.788 -2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 90 3.353 7.416 -2.975 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.345 8.981 -5.447 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.270 9.188 -3.956 1.00 0.00 H new ATOM 1349 N LYS A 91 1.505 3.950 -4.659 1.00 0.00 N ATOM 1350 CA LYS A 91 0.402 3.016 -4.857 1.00 0.00 C ATOM 1351 C LYS A 91 0.859 1.579 -4.631 1.00 0.00 C ATOM 1352 O LYS A 91 0.397 0.907 -3.707 1.00 0.00 O ATOM 1353 CB LYS A 91 -0.170 3.165 -6.269 1.00 0.00 C ATOM 1354 CG LYS A 91 -1.084 4.367 -6.431 1.00 0.00 C ATOM 1355 CD LYS A 91 -1.642 4.457 -7.842 1.00 0.00 C ATOM 1356 CE LYS A 91 -2.858 3.560 -8.019 1.00 0.00 C ATOM 1357 NZ LYS A 91 -3.791 4.090 -9.051 1.00 0.00 N ATOM 0 H LYS A 91 1.957 4.258 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.375 3.249 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.653 3.247 -6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.723 2.261 -6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.905 4.300 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.533 5.278 -6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.915 5.489 -8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.871 4.172 -8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.533 2.559 -8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.383 3.467 -7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.709 4.304 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.394 4.958 -9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.922 3.379 -9.798 1.00 0.00 H new ATOM 1371 N THR A 92 1.770 1.111 -5.479 1.00 0.00 N ATOM 1372 CA THR A 92 2.289 -0.246 -5.371 1.00 0.00 C ATOM 1373 C THR A 92 2.650 -0.584 -3.928 1.00 0.00 C ATOM 1374 O THR A 92 2.444 -1.710 -3.475 1.00 0.00 O ATOM 1375 CB THR A 92 3.532 -0.445 -6.259 1.00 0.00 C ATOM 1376 OG1 THR A 92 4.312 -1.542 -5.771 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.383 0.816 -6.287 1.00 0.00 C ATOM 0 H THR A 92 2.163 1.653 -6.248 1.00 0.00 H new ATOM 0 HA THR A 92 1.498 -0.914 -5.711 1.00 0.00 H new ATOM 0 HB THR A 92 3.197 -0.661 -7.273 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.099 -1.663 -6.342 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.255 0.652 -6.920 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.795 1.643 -6.686 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.709 1.057 -5.275 1.00 0.00 H new ATOM 1385 N ARG A 93 3.187 0.398 -3.212 1.00 0.00 N ATOM 1386 CA ARG A 93 3.577 0.204 -1.821 1.00 0.00 C ATOM 1387 C ARG A 93 2.501 -0.563 -1.057 1.00 0.00 C ATOM 1388 O ARG A 93 2.802 -1.341 -0.152 1.00 0.00 O ATOM 1389 CB ARG A 93 3.831 1.554 -1.147 1.00 0.00 C ATOM 1390 CG ARG A 93 5.271 2.027 -1.257 1.00 0.00 C ATOM 1391 CD ARG A 93 5.637 2.967 -0.119 1.00 0.00 C ATOM 1392 NE ARG A 93 6.972 3.536 -0.286 1.00 0.00 N ATOM 1393 CZ ARG A 93 7.567 4.295 0.627 1.00 0.00 C ATOM 1394 NH1 ARG A 93 6.948 4.576 1.766 1.00 0.00 N ATOM 1395 NH2 ARG A 93 8.783 4.776 0.402 1.00 0.00 N ATOM 0 H ARG A 93 3.362 1.336 -3.572 1.00 0.00 H new ATOM 0 HA ARG A 93 4.497 -0.381 -1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.176 2.302 -1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.561 1.481 -0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.940 1.166 -1.249 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.417 2.534 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.904 3.772 -0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.589 2.427 0.827 1.00 0.00 H new ATOM 0 HE ARG A 93 7.475 3.340 -1.151 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.013 4.209 1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.407 5.159 2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.262 4.563 -0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.239 5.359 1.104 1.00 0.00 H new ATOM 1409 N LYS A 94 1.245 -0.338 -1.428 1.00 0.00 N ATOM 1410 CA LYS A 94 0.124 -1.007 -0.779 1.00 0.00 C ATOM 1411 C LYS A 94 -0.036 -2.431 -1.302 1.00 0.00 C ATOM 1412 O LYS A 94 -0.352 -3.348 -0.543 1.00 0.00 O ATOM 1413 CB LYS A 94 -1.169 -0.220 -1.010 1.00 0.00 C ATOM 1414 CG LYS A 94 -0.993 1.284 -0.902 1.00 0.00 C ATOM 1415 CD LYS A 94 -1.157 1.763 0.531 1.00 0.00 C ATOM 1416 CE LYS A 94 -2.615 1.741 0.963 1.00 0.00 C ATOM 1417 NZ LYS A 94 -3.296 3.035 0.682 1.00 0.00 N ATOM 0 H LYS A 94 0.978 0.303 -2.175 1.00 0.00 H new ATOM 0 HA LYS A 94 0.329 -1.052 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.560 -0.462 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.916 -0.543 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.005 1.563 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.723 1.783 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.570 1.130 1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.764 2.775 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.136 0.936 0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.675 1.523 2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.648 3.443 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.622 3.694 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.095 2.874 0.036 1.00 0.00 H new ATOM 1431 N ILE A 95 0.187 -2.609 -2.599 1.00 0.00 N ATOM 1432 CA ILE A 95 0.070 -3.922 -3.221 1.00 0.00 C ATOM 1433 C ILE A 95 1.259 -4.807 -2.863 1.00 0.00 C ATOM 1434 O ILE A 95 1.100 -5.855 -2.235 1.00 0.00 O ATOM 1435 CB ILE A 95 -0.031 -3.813 -4.754 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -1.080 -2.770 -5.144 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.370 -5.166 -5.360 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -1.206 -2.570 -6.638 1.00 0.00 C ATOM 0 H ILE A 95 0.450 -1.860 -3.240 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.845 -4.373 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 95 0.935 -3.494 -5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.048 -3.072 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.825 -1.818 -4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.438 -5.072 -6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.410 -5.884 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.325 -5.512 -4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.967 -1.817 -6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.250 -2.238 -7.043 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.492 -3.511 -7.108 1.00 0.00 H new ATOM 1450 N TYR A 96 2.450 -4.379 -3.265 1.00 0.00 N ATOM 1451 CA TYR A 96 3.667 -5.133 -2.987 1.00 0.00 C ATOM 1452 C TYR A 96 3.624 -5.742 -1.589 1.00 0.00 C ATOM 1453 O TYR A 96 3.625 -6.963 -1.432 1.00 0.00 O ATOM 1454 CB TYR A 96 4.894 -4.229 -3.124 1.00 0.00 C ATOM 1455 CG TYR A 96 6.170 -4.859 -2.612 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.776 -5.904 -3.299 1.00 0.00 C ATOM 1457 CD2 TYR A 96 6.770 -4.408 -1.443 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.941 -6.483 -2.835 1.00 0.00 C ATOM 1459 CE2 TYR A 96 7.936 -4.980 -0.972 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.517 -6.018 -1.671 1.00 0.00 C ATOM 1461 OH TYR A 96 9.679 -6.591 -1.206 1.00 0.00 O ATOM 0 H TYR A 96 2.599 -3.514 -3.784 1.00 0.00 H new ATOM 0 HA TYR A 96 3.736 -5.942 -3.714 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.025 -3.965 -4.173 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.714 -3.301 -2.581 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.328 -6.270 -4.211 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.317 -3.596 -0.893 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.398 -7.295 -3.380 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.390 -4.617 -0.062 1.00 0.00 H new ATOM 0 HH TYR A 96 10.109 -7.093 -1.930 1.00 0.00 H new ATOM 1471 N ASP A 97 3.584 -4.882 -0.577 1.00 0.00 N ATOM 1472 CA ASP A 97 3.538 -5.334 0.808 1.00 0.00 C ATOM 1473 C ASP A 97 2.496 -6.434 0.987 1.00 0.00 C ATOM 1474 O ASP A 97 2.794 -7.506 1.515 1.00 0.00 O ATOM 1475 CB ASP A 97 3.224 -4.162 1.739 1.00 0.00 C ATOM 1476 CG ASP A 97 3.813 -4.349 3.124 1.00 0.00 C ATOM 1477 OD1 ASP A 97 3.149 -4.984 3.970 1.00 0.00 O ATOM 1478 OD2 ASP A 97 4.937 -3.859 3.362 1.00 0.00 O ATOM 0 H ASP A 97 3.583 -3.868 -0.690 1.00 0.00 H new ATOM 0 HA ASP A 97 4.517 -5.740 1.064 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.613 -3.241 1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.143 -4.045 1.820 1.00 0.00 H new ATOM 1483 N PHE A 98 1.273 -6.161 0.544 1.00 0.00 N ATOM 1484 CA PHE A 98 0.186 -7.127 0.657 1.00 0.00 C ATOM 1485 C PHE A 98 0.572 -8.457 0.017 1.00 0.00 C ATOM 1486 O PHE A 98 0.279 -9.526 0.555 1.00 0.00 O ATOM 1487 CB PHE A 98 -1.081 -6.580 -0.003 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.223 -7.555 -0.008 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -3.042 -7.690 1.101 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.479 -8.337 -1.123 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -4.094 -8.586 1.100 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.529 -9.235 -1.131 1.00 0.00 C ATOM 1493 CZ PHE A 98 -4.337 -9.360 -0.018 1.00 0.00 C ATOM 0 H PHE A 98 1.010 -5.279 0.104 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.008 -7.296 1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.390 -5.674 0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.852 -6.295 -1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.856 -7.087 1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.850 -8.243 -1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.725 -8.681 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.718 -9.838 -2.007 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.158 -10.062 -0.022 1.00 0.00 H new ATOM 1503 N LEU A 99 1.231 -8.384 -1.134 1.00 0.00 N ATOM 1504 CA LEU A 99 1.657 -9.582 -1.849 1.00 0.00 C ATOM 1505 C LEU A 99 2.735 -10.328 -1.068 1.00 0.00 C ATOM 1506 O LEU A 99 2.724 -11.557 -0.995 1.00 0.00 O ATOM 1507 CB LEU A 99 2.181 -9.212 -3.237 1.00 0.00 C ATOM 1508 CG LEU A 99 1.156 -8.623 -4.207 1.00 0.00 C ATOM 1509 CD1 LEU A 99 1.834 -8.170 -5.491 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.063 -9.637 -4.508 1.00 0.00 C ATOM 0 H LEU A 99 1.482 -7.508 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 99 0.793 -10.238 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.992 -8.494 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.610 -10.105 -3.691 1.00 0.00 H new ATOM 0 HG LEU A 99 0.698 -7.753 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.089 -7.754 -6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.579 -7.409 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.320 -9.022 -5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.658 -9.201 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.505 -10.526 -4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.443 -9.912 -3.583 1.00 0.00 H new ATOM 1522 N ILE A 100 3.663 -9.576 -0.485 1.00 0.00 N ATOM 1523 CA ILE A 100 4.745 -10.166 0.293 1.00 0.00 C ATOM 1524 C ILE A 100 4.202 -10.959 1.476 1.00 0.00 C ATOM 1525 O ILE A 100 4.633 -12.084 1.733 1.00 0.00 O ATOM 1526 CB ILE A 100 5.716 -9.089 0.813 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.431 -8.409 -0.356 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.723 -9.704 1.772 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.686 -9.128 -0.798 1.00 0.00 C ATOM 0 H ILE A 100 3.687 -8.558 -0.537 1.00 0.00 H new ATOM 0 HA ILE A 100 5.284 -10.838 -0.375 1.00 0.00 H new ATOM 0 HB ILE A 100 5.144 -8.334 1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.745 -8.340 -1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.688 -7.389 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.402 -8.931 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.197 -10.146 2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.293 -10.476 1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.140 -8.590 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.391 -9.174 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.433 -10.140 -1.115 1.00 0.00 H new ATOM 1541 N ARG A 101 3.252 -10.367 2.193 1.00 0.00 N ATOM 1542 CA ARG A 101 2.650 -11.019 3.349 1.00 0.00 C ATOM 1543 C ARG A 101 1.675 -12.110 2.912 1.00 0.00 C ATOM 1544 O ARG A 101 1.346 -13.007 3.687 1.00 0.00 O ATOM 1545 CB ARG A 101 1.924 -9.992 4.220 1.00 0.00 C ATOM 1546 CG ARG A 101 0.837 -9.228 3.483 1.00 0.00 C ATOM 1547 CD ARG A 101 -0.195 -8.660 4.445 1.00 0.00 C ATOM 1548 NE ARG A 101 0.358 -7.589 5.270 1.00 0.00 N ATOM 1549 CZ ARG A 101 -0.373 -6.839 6.088 1.00 0.00 C ATOM 1550 NH1 ARG A 101 -1.680 -7.043 6.189 1.00 0.00 N ATOM 1551 NH2 ARG A 101 0.202 -5.883 6.806 1.00 0.00 N ATOM 0 H ARG A 101 2.883 -9.437 1.993 1.00 0.00 H new ATOM 0 HA ARG A 101 3.448 -11.480 3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.481 -10.502 5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.652 -9.282 4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.286 -8.417 2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.346 -9.890 2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.047 -8.280 3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.569 -9.457 5.088 1.00 0.00 H new ATOM 0 HE ARG A 101 1.360 -7.407 5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.126 -7.777 5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.239 -6.466 6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.207 -5.723 6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.360 -5.308 7.433 1.00 0.00 H new ATOM 1565 N GLU A 102 1.219 -12.024 1.666 1.00 0.00 N ATOM 1566 CA GLU A 102 0.282 -13.002 1.128 1.00 0.00 C ATOM 1567 C GLU A 102 1.013 -14.263 0.674 1.00 0.00 C ATOM 1568 O GLU A 102 0.403 -15.316 0.495 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.499 -12.403 -0.044 1.00 0.00 C ATOM 1570 CG GLU A 102 -1.767 -11.679 0.377 1.00 0.00 C ATOM 1571 CD GLU A 102 -2.932 -12.624 0.596 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -2.708 -13.730 1.131 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -4.069 -12.257 0.232 1.00 0.00 O ATOM 0 H GLU A 102 1.483 -11.288 1.011 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.416 -13.272 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.145 -11.707 -0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.760 -13.199 -0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.576 -11.124 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.035 -10.949 -0.387 1.00 0.00 H new ATOM 1580 N GLY A 103 2.324 -14.146 0.490 1.00 0.00 N ATOM 1581 CA GLY A 103 3.117 -15.282 0.058 1.00 0.00 C ATOM 1582 C GLY A 103 3.179 -15.406 -1.451 1.00 0.00 C ATOM 1583 O GLY A 103 3.349 -16.503 -1.985 1.00 0.00 O ATOM 0 H GLY A 103 2.851 -13.285 0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.128 -15.186 0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.696 -16.196 0.477 1.00 0.00 H new ATOM 1587 N TYR A 104 3.039 -14.280 -2.142 1.00 0.00 N ATOM 1588 CA TYR A 104 3.076 -14.267 -3.599 1.00 0.00 C ATOM 1589 C TYR A 104 4.481 -13.958 -4.106 1.00 0.00 C ATOM 1590 O TYR A 104 4.958 -14.573 -5.061 1.00 0.00 O ATOM 1591 CB TYR A 104 2.087 -13.237 -4.146 1.00 0.00 C ATOM 1592 CG TYR A 104 0.645 -13.690 -4.087 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.168 -14.667 -4.952 1.00 0.00 C ATOM 1594 CD2 TYR A 104 -0.239 -13.141 -3.167 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -1.148 -15.084 -4.903 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.556 -13.553 -3.109 1.00 0.00 C ATOM 1597 CZ TYR A 104 -2.006 -14.525 -3.979 1.00 0.00 C ATOM 1598 OH TYR A 104 -3.318 -14.937 -3.925 1.00 0.00 O ATOM 0 H TYR A 104 2.899 -13.364 -1.716 1.00 0.00 H new ATOM 0 HA TYR A 104 2.792 -15.258 -3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.191 -12.310 -3.582 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.346 -13.011 -5.180 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.838 -15.108 -5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.109 -12.379 -2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.503 -15.843 -5.584 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.230 -13.117 -2.387 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.787 -14.445 -3.219 1.00 0.00 H new ATOM 1608 N ILE A 105 5.140 -13.003 -3.459 1.00 0.00 N ATOM 1609 CA ILE A 105 6.491 -12.613 -3.842 1.00 0.00 C ATOM 1610 C ILE A 105 7.412 -12.557 -2.628 1.00 0.00 C ATOM 1611 O ILE A 105 6.980 -12.777 -1.496 1.00 0.00 O ATOM 1612 CB ILE A 105 6.504 -11.243 -4.545 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.596 -10.257 -3.806 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.067 -11.387 -5.995 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.637 -8.856 -4.373 1.00 0.00 C ATOM 0 H ILE A 105 4.760 -12.485 -2.667 1.00 0.00 H new ATOM 0 HA ILE A 105 6.853 -13.372 -4.536 1.00 0.00 H new ATOM 0 HB ILE A 105 7.522 -10.854 -4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.570 -10.624 -3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 105 5.888 -10.224 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.081 -10.410 -6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.749 -12.059 -6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.057 -11.795 -6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.970 -8.212 -3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.654 -8.469 -4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.317 -8.876 -5.415 1.00 0.00 H new ATOM 1627 N THR A 106 8.685 -12.260 -2.871 1.00 0.00 N ATOM 1628 CA THR A 106 9.668 -12.174 -1.798 1.00 0.00 C ATOM 1629 C THR A 106 10.250 -10.769 -1.697 1.00 0.00 C ATOM 1630 O THR A 106 10.100 -9.956 -2.609 1.00 0.00 O ATOM 1631 CB THR A 106 10.816 -13.180 -2.007 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.286 -14.464 -2.352 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.667 -13.297 -0.751 1.00 0.00 C ATOM 0 H THR A 106 9.059 -12.075 -3.802 1.00 0.00 H new ATOM 0 HA THR A 106 9.147 -12.415 -0.871 1.00 0.00 H new ATOM 0 HB THR A 106 11.444 -12.817 -2.820 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.022 -15.097 -2.485 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.471 -14.013 -0.922 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.093 -12.324 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.047 -13.639 0.078 1.00 0.00 H new ATOM 1641 N LYS A 107 10.916 -10.489 -0.581 1.00 0.00 N ATOM 1642 CA LYS A 107 11.523 -9.182 -0.361 1.00 0.00 C ATOM 1643 C LYS A 107 13.016 -9.216 -0.674 1.00 0.00 C ATOM 1644 O LYS A 107 13.752 -10.045 -0.142 1.00 0.00 O ATOM 1645 CB LYS A 107 11.305 -8.733 1.086 1.00 0.00 C ATOM 1646 CG LYS A 107 11.748 -7.305 1.354 1.00 0.00 C ATOM 1647 CD LYS A 107 10.966 -6.684 2.499 1.00 0.00 C ATOM 1648 CE LYS A 107 11.161 -7.459 3.792 1.00 0.00 C ATOM 1649 NZ LYS A 107 10.767 -6.658 4.984 1.00 0.00 N ATOM 0 H LYS A 107 11.049 -11.150 0.184 1.00 0.00 H new ATOM 0 HA LYS A 107 11.045 -8.469 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.247 -8.828 1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.848 -9.404 1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.812 -7.291 1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.613 -6.706 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.285 -5.651 2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.906 -6.658 2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.571 -8.375 3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.206 -7.756 3.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.915 -7.222 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.347 -5.796 5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.763 -6.396 4.910 1.00 0.00 H new ATOM 1663 N ALA A 108 13.455 -8.308 -1.539 1.00 0.00 N ATOM 1664 CA ALA A 108 14.860 -8.232 -1.920 1.00 0.00 C ATOM 1665 C ALA A 108 15.631 -7.302 -0.989 1.00 0.00 C ATOM 1666 O ALA A 108 16.801 -7.541 -0.688 1.00 0.00 O ATOM 1667 CB ALA A 108 14.991 -7.765 -3.362 1.00 0.00 C ATOM 0 H ALA A 108 12.858 -7.614 -1.989 1.00 0.00 H new ATOM 0 HA ALA A 108 15.290 -9.230 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 108 16.045 -7.713 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.482 -8.469 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 108 14.540 -6.778 -3.467 1.00 0.00 H new