USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=13 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 180:sc= 0 USER MOD Set 1.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 76:sc= 0.992 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 70:sc= -0.997 USER MOD Single : A 50 GLN : amide:sc= -1.42 K(o=-1.4,f=-3.7!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 30:sc= 0.435 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 70 CYS SG : rot -7:sc= -0.0969 USER MOD Single : A 71 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-2.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -3.46! K(o=-3.5!,f=-1.3) USER MOD Single : A 80 GLN : amide:sc= -0.0836 X(o=-0.084,f=-0.0023) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0282) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.249) USER MOD Single : A 96 TYR OH : rot 16:sc= -0.0581 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 120:sc=0.000922 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 358 N PRO A 29 -13.884 6.010 -0.814 1.00 0.00 N ATOM 359 CA PRO A 29 -13.110 4.935 -1.443 1.00 0.00 C ATOM 360 C PRO A 29 -13.481 4.736 -2.909 1.00 0.00 C ATOM 361 O PRO A 29 -14.445 5.323 -3.402 1.00 0.00 O ATOM 362 CB PRO A 29 -13.489 3.699 -0.624 1.00 0.00 C ATOM 363 CG PRO A 29 -14.834 4.012 -0.066 1.00 0.00 C ATOM 364 CD PRO A 29 -14.849 5.497 0.173 1.00 0.00 C ATOM 0 HA PRO A 29 -12.041 5.150 -1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.517 2.805 -1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.765 3.512 0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.622 3.721 -0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.008 3.466 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.843 5.919 0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.551 5.743 1.192 1.00 0.00 H new ATOM 372 N LEU A 30 -12.710 3.905 -3.602 1.00 0.00 N ATOM 373 CA LEU A 30 -12.957 3.628 -5.012 1.00 0.00 C ATOM 374 C LEU A 30 -14.222 2.793 -5.190 1.00 0.00 C ATOM 375 O LEU A 30 -14.421 1.796 -4.497 1.00 0.00 O ATOM 376 CB LEU A 30 -11.761 2.899 -5.627 1.00 0.00 C ATOM 377 CG LEU A 30 -11.540 3.115 -7.124 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.082 2.883 -7.488 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.446 2.199 -7.935 1.00 0.00 C ATOM 0 H LEU A 30 -11.908 3.411 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.097 4.580 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.860 3.211 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.881 1.830 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.793 4.148 -7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.944 3.041 -8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.453 3.580 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.802 1.861 -7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.275 2.367 -8.998 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.225 1.160 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.488 2.414 -7.697 1.00 0.00 H new ATOM 391 N ASN A 31 -15.072 3.208 -6.123 1.00 0.00 N ATOM 392 CA ASN A 31 -16.317 2.497 -6.393 1.00 0.00 C ATOM 393 C ASN A 31 -16.069 1.285 -7.285 1.00 0.00 C ATOM 394 O ASN A 31 -16.131 1.379 -8.512 1.00 0.00 O ATOM 395 CB ASN A 31 -17.329 3.433 -7.056 1.00 0.00 C ATOM 396 CG ASN A 31 -17.829 4.508 -6.110 1.00 0.00 C ATOM 397 OD1 ASN A 31 -17.504 5.685 -6.262 1.00 0.00 O ATOM 398 ND2 ASN A 31 -18.624 4.105 -5.125 1.00 0.00 N ATOM 0 H ASN A 31 -14.922 4.032 -6.705 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.721 2.149 -5.442 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.870 3.903 -7.925 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.175 2.850 -7.419 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.991 4.782 -4.456 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.867 3.118 -5.037 1.00 0.00 H new ATOM 405 N LEU A 32 -15.788 0.146 -6.661 1.00 0.00 N ATOM 406 CA LEU A 32 -15.531 -1.087 -7.398 1.00 0.00 C ATOM 407 C LEU A 32 -16.761 -1.511 -8.195 1.00 0.00 C ATOM 408 O LEU A 32 -16.683 -1.739 -9.403 1.00 0.00 O ATOM 409 CB LEU A 32 -15.124 -2.204 -6.435 1.00 0.00 C ATOM 410 CG LEU A 32 -14.151 -1.810 -5.323 1.00 0.00 C ATOM 411 CD1 LEU A 32 -13.820 -3.012 -4.452 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.882 -1.211 -5.913 1.00 0.00 C ATOM 0 H LEU A 32 -15.732 0.051 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.715 -0.901 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.026 -2.607 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.675 -3.010 -7.015 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.629 -1.056 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.126 -2.712 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.734 -3.397 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.362 -3.789 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.201 -0.936 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.401 -1.944 -6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.134 -0.324 -6.493 1.00 0.00 H new ATOM 424 N THR A 33 -17.897 -1.613 -7.512 1.00 0.00 N ATOM 425 CA THR A 33 -19.143 -2.008 -8.156 1.00 0.00 C ATOM 426 C THR A 33 -19.246 -1.423 -9.560 1.00 0.00 C ATOM 427 O THR A 33 -19.498 -0.231 -9.730 1.00 0.00 O ATOM 428 CB THR A 33 -20.367 -1.560 -7.335 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.573 -1.962 -7.994 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.366 -0.051 -7.143 1.00 0.00 C ATOM 0 H THR A 33 -17.979 -1.427 -6.512 1.00 0.00 H new ATOM 0 HA THR A 33 -19.135 -3.096 -8.218 1.00 0.00 H new ATOM 0 HB THR A 33 -20.314 -2.035 -6.355 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.346 -1.675 -7.465 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.239 0.242 -6.561 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.461 0.248 -6.615 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.397 0.440 -8.116 1.00 0.00 H new ATOM 438 N GLY A 34 -19.048 -2.271 -10.566 1.00 0.00 N ATOM 439 CA GLY A 34 -19.124 -1.820 -11.943 1.00 0.00 C ATOM 440 C GLY A 34 -17.837 -2.067 -12.705 1.00 0.00 C ATOM 441 O GLY A 34 -17.859 -2.585 -13.823 1.00 0.00 O ATOM 0 H GLY A 34 -18.836 -3.262 -10.451 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.944 -2.333 -12.445 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.355 -0.755 -11.961 1.00 0.00 H new ATOM 445 N LEU A 35 -16.713 -1.696 -12.102 1.00 0.00 N ATOM 446 CA LEU A 35 -15.410 -1.880 -12.733 1.00 0.00 C ATOM 447 C LEU A 35 -15.182 -3.344 -13.094 1.00 0.00 C ATOM 448 O LEU A 35 -15.577 -4.257 -12.368 1.00 0.00 O ATOM 449 CB LEU A 35 -14.299 -1.392 -11.802 1.00 0.00 C ATOM 450 CG LEU A 35 -14.045 0.116 -11.792 1.00 0.00 C ATOM 451 CD1 LEU A 35 -13.166 0.501 -10.612 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.409 0.559 -13.101 1.00 0.00 C ATOM 0 H LEU A 35 -16.677 -1.266 -11.178 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.391 -1.292 -13.651 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.539 -1.706 -10.786 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.373 -1.894 -12.080 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.003 0.626 -11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.996 1.578 -10.621 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.661 0.220 -9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.210 -0.018 -10.686 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.236 1.635 -13.076 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.459 0.042 -13.238 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.076 0.318 -13.929 1.00 0.00 H new ATOM 464 N PRO A 36 -14.525 -3.576 -14.240 1.00 0.00 N ATOM 465 CA PRO A 36 -14.226 -4.927 -14.722 1.00 0.00 C ATOM 466 C PRO A 36 -13.177 -5.629 -13.866 1.00 0.00 C ATOM 467 O PRO A 36 -12.305 -4.986 -13.284 1.00 0.00 O ATOM 468 CB PRO A 36 -13.690 -4.689 -16.136 1.00 0.00 C ATOM 469 CG PRO A 36 -13.149 -3.302 -16.107 1.00 0.00 C ATOM 470 CD PRO A 36 -14.024 -2.536 -15.154 1.00 0.00 C ATOM 0 HA PRO A 36 -15.102 -5.575 -14.687 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.915 -5.411 -16.392 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.479 -4.791 -16.881 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.111 -3.295 -15.775 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.169 -2.854 -17.101 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.462 -1.769 -14.621 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.839 -2.031 -15.674 1.00 0.00 H new ATOM 478 N GLY A 37 -13.269 -6.954 -13.793 1.00 0.00 N ATOM 479 CA GLY A 37 -12.321 -7.720 -13.006 1.00 0.00 C ATOM 480 C GLY A 37 -12.724 -7.819 -11.548 1.00 0.00 C ATOM 481 O GLY A 37 -12.217 -8.666 -10.811 1.00 0.00 O ATOM 0 H GLY A 37 -13.983 -7.510 -14.265 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.233 -8.723 -13.424 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.337 -7.257 -13.077 1.00 0.00 H new ATOM 485 N THR A 38 -13.638 -6.950 -11.128 1.00 0.00 N ATOM 486 CA THR A 38 -14.107 -6.941 -9.749 1.00 0.00 C ATOM 487 C THR A 38 -14.631 -8.312 -9.337 1.00 0.00 C ATOM 488 O THR A 38 -14.576 -8.680 -8.164 1.00 0.00 O ATOM 489 CB THR A 38 -15.219 -5.895 -9.540 1.00 0.00 C ATOM 490 OG1 THR A 38 -14.809 -4.631 -10.074 1.00 0.00 O ATOM 491 CG2 THR A 38 -15.549 -5.744 -8.063 1.00 0.00 C ATOM 0 H THR A 38 -14.068 -6.243 -11.724 1.00 0.00 H new ATOM 0 HA THR A 38 -13.251 -6.680 -9.126 1.00 0.00 H new ATOM 0 HB THR A 38 -16.112 -6.237 -10.062 1.00 0.00 H new ATOM 0 HG1 THR A 38 -14.867 -4.655 -11.052 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.336 -5.000 -7.940 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.888 -6.701 -7.666 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.659 -5.422 -7.522 1.00 0.00 H new ATOM 499 N GLU A 39 -15.138 -9.063 -10.309 1.00 0.00 N ATOM 500 CA GLU A 39 -15.672 -10.394 -10.045 1.00 0.00 C ATOM 501 C GLU A 39 -14.555 -11.433 -10.017 1.00 0.00 C ATOM 502 O GLU A 39 -14.684 -12.484 -9.389 1.00 0.00 O ATOM 503 CB GLU A 39 -16.708 -10.772 -11.107 1.00 0.00 C ATOM 504 CG GLU A 39 -16.103 -11.400 -12.351 1.00 0.00 C ATOM 505 CD GLU A 39 -17.147 -11.755 -13.392 1.00 0.00 C ATOM 506 OE1 GLU A 39 -17.917 -12.709 -13.160 1.00 0.00 O ATOM 507 OE2 GLU A 39 -17.193 -11.076 -14.439 1.00 0.00 O ATOM 0 H GLU A 39 -15.190 -8.773 -11.286 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.153 -10.377 -9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.425 -11.468 -10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.264 -9.879 -11.394 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.381 -10.710 -12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.555 -12.299 -12.070 1.00 0.00 H new ATOM 514 N LYS A 40 -13.457 -11.131 -10.702 1.00 0.00 N ATOM 515 CA LYS A 40 -12.315 -12.036 -10.757 1.00 0.00 C ATOM 516 C LYS A 40 -11.732 -12.260 -9.365 1.00 0.00 C ATOM 517 O LYS A 40 -11.683 -13.390 -8.876 1.00 0.00 O ATOM 518 CB LYS A 40 -11.238 -11.476 -11.689 1.00 0.00 C ATOM 519 CG LYS A 40 -11.612 -11.544 -13.159 1.00 0.00 C ATOM 520 CD LYS A 40 -10.381 -11.490 -14.050 1.00 0.00 C ATOM 521 CE LYS A 40 -9.853 -12.883 -14.356 1.00 0.00 C ATOM 522 NZ LYS A 40 -8.384 -12.877 -14.599 1.00 0.00 N ATOM 0 H LYS A 40 -13.334 -10.265 -11.227 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.660 -12.994 -11.146 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.041 -10.438 -11.420 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.311 -12.028 -11.532 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.163 -12.464 -13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.277 -10.716 -13.405 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.627 -10.980 -14.982 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.603 -10.904 -13.562 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.081 -13.549 -13.524 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.365 -13.281 -15.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.062 -13.844 -14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.169 -12.261 -15.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.894 -12.521 -13.754 1.00 0.00 H new ATOM 536 N LEU A 41 -11.292 -11.179 -8.732 1.00 0.00 N ATOM 537 CA LEU A 41 -10.714 -11.257 -7.395 1.00 0.00 C ATOM 538 C LEU A 41 -11.806 -11.304 -6.331 1.00 0.00 C ATOM 539 O LEU A 41 -12.993 -11.351 -6.648 1.00 0.00 O ATOM 540 CB LEU A 41 -9.794 -10.061 -7.145 1.00 0.00 C ATOM 541 CG LEU A 41 -10.220 -8.741 -7.788 1.00 0.00 C ATOM 542 CD1 LEU A 41 -11.654 -8.403 -7.413 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.280 -7.618 -7.373 1.00 0.00 C ATOM 0 H LEU A 41 -11.324 -10.237 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.131 -12.176 -7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.714 -9.909 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.797 -10.313 -7.506 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.166 -8.852 -8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.940 -7.460 -7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.317 -9.195 -7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.735 -8.311 -6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.598 -6.686 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.302 -7.507 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.265 -7.856 -7.693 1.00 0.00 H new ATOM 555 N ASN A 42 -11.394 -11.289 -5.067 1.00 0.00 N ATOM 556 CA ASN A 42 -12.338 -11.329 -3.956 1.00 0.00 C ATOM 557 C ASN A 42 -12.110 -10.156 -3.007 1.00 0.00 C ATOM 558 O ASN A 42 -11.151 -9.399 -3.159 1.00 0.00 O ATOM 559 CB ASN A 42 -12.205 -12.649 -3.193 1.00 0.00 C ATOM 560 CG ASN A 42 -12.156 -13.849 -4.120 1.00 0.00 C ATOM 561 OD1 ASN A 42 -13.191 -14.342 -4.570 1.00 0.00 O ATOM 562 ND2 ASN A 42 -10.951 -14.324 -4.408 1.00 0.00 N ATOM 0 H ASN A 42 -10.414 -11.249 -4.787 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.346 -11.253 -4.365 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.300 -12.625 -2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.046 -12.756 -2.508 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.855 -15.130 -5.026 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.121 -13.883 -4.012 1.00 0.00 H new ATOM 569 N GLU A 43 -12.997 -10.012 -2.028 1.00 0.00 N ATOM 570 CA GLU A 43 -12.892 -8.931 -1.055 1.00 0.00 C ATOM 571 C GLU A 43 -11.434 -8.662 -0.696 1.00 0.00 C ATOM 572 O GLU A 43 -11.019 -7.511 -0.555 1.00 0.00 O ATOM 573 CB GLU A 43 -13.685 -9.274 0.209 1.00 0.00 C ATOM 574 CG GLU A 43 -13.270 -10.587 0.850 1.00 0.00 C ATOM 575 CD GLU A 43 -13.766 -11.795 0.080 1.00 0.00 C ATOM 576 OE1 GLU A 43 -14.852 -11.705 -0.531 1.00 0.00 O ATOM 577 OE2 GLU A 43 -13.069 -12.831 0.088 1.00 0.00 O ATOM 0 H GLU A 43 -13.796 -10.630 -1.887 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.310 -8.030 -1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.561 -8.470 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.745 -9.320 -0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.183 -10.626 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.655 -10.627 1.869 1.00 0.00 H new ATOM 584 N LYS A 44 -10.660 -9.732 -0.549 1.00 0.00 N ATOM 585 CA LYS A 44 -9.247 -9.613 -0.207 1.00 0.00 C ATOM 586 C LYS A 44 -8.581 -8.508 -1.020 1.00 0.00 C ATOM 587 O LYS A 44 -8.196 -7.473 -0.478 1.00 0.00 O ATOM 588 CB LYS A 44 -8.529 -10.943 -0.451 1.00 0.00 C ATOM 589 CG LYS A 44 -8.722 -11.952 0.668 1.00 0.00 C ATOM 590 CD LYS A 44 -7.932 -11.568 1.908 1.00 0.00 C ATOM 591 CE LYS A 44 -7.930 -12.688 2.937 1.00 0.00 C ATOM 592 NZ LYS A 44 -9.129 -12.634 3.818 1.00 0.00 N ATOM 0 H LYS A 44 -10.987 -10.692 -0.661 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.175 -9.356 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.889 -11.375 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.463 -10.753 -0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.781 -12.022 0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.409 -12.939 0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.906 -11.329 1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.360 -10.668 2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.898 -13.650 2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.029 -12.620 3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.090 -13.414 4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.147 -11.726 4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.989 -12.725 3.240 1.00 0.00 H new ATOM 606 N GLU A 45 -8.452 -8.734 -2.324 1.00 0.00 N ATOM 607 CA GLU A 45 -7.833 -7.755 -3.211 1.00 0.00 C ATOM 608 C GLU A 45 -8.673 -6.483 -3.287 1.00 0.00 C ATOM 609 O GLU A 45 -8.148 -5.373 -3.198 1.00 0.00 O ATOM 610 CB GLU A 45 -7.653 -8.345 -4.611 1.00 0.00 C ATOM 611 CG GLU A 45 -6.718 -9.542 -4.651 1.00 0.00 C ATOM 612 CD GLU A 45 -6.971 -10.440 -5.846 1.00 0.00 C ATOM 613 OE1 GLU A 45 -6.685 -10.011 -6.983 1.00 0.00 O ATOM 614 OE2 GLU A 45 -7.456 -11.574 -5.643 1.00 0.00 O ATOM 0 H GLU A 45 -8.767 -9.585 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.855 -7.500 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.627 -8.642 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.268 -7.571 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.686 -9.192 -4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.835 -10.121 -3.735 1.00 0.00 H new ATOM 621 N LYS A 46 -9.980 -6.653 -3.452 1.00 0.00 N ATOM 622 CA LYS A 46 -10.894 -5.521 -3.540 1.00 0.00 C ATOM 623 C LYS A 46 -10.572 -4.477 -2.475 1.00 0.00 C ATOM 624 O LYS A 46 -10.541 -3.280 -2.756 1.00 0.00 O ATOM 625 CB LYS A 46 -12.341 -5.994 -3.385 1.00 0.00 C ATOM 626 CG LYS A 46 -12.784 -6.963 -4.467 1.00 0.00 C ATOM 627 CD LYS A 46 -14.227 -7.397 -4.271 1.00 0.00 C ATOM 628 CE LYS A 46 -15.198 -6.284 -4.635 1.00 0.00 C ATOM 629 NZ LYS A 46 -16.586 -6.793 -4.806 1.00 0.00 N ATOM 0 H LYS A 46 -10.430 -7.565 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.771 -5.063 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.456 -6.472 -2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.001 -5.126 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.674 -6.493 -5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.136 -7.839 -4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.431 -8.274 -4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.382 -7.691 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.184 -5.521 -3.857 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.871 -5.804 -5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.217 -6.004 -5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.604 -7.503 -5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.908 -7.228 -3.918 1.00 0.00 H new ATOM 643 N GLU A 47 -10.332 -4.941 -1.252 1.00 0.00 N ATOM 644 CA GLU A 47 -10.011 -4.047 -0.146 1.00 0.00 C ATOM 645 C GLU A 47 -8.896 -3.080 -0.534 1.00 0.00 C ATOM 646 O GLU A 47 -8.938 -1.897 -0.192 1.00 0.00 O ATOM 647 CB GLU A 47 -9.596 -4.853 1.087 1.00 0.00 C ATOM 648 CG GLU A 47 -8.633 -4.114 2.000 1.00 0.00 C ATOM 649 CD GLU A 47 -8.622 -4.673 3.410 1.00 0.00 C ATOM 650 OE1 GLU A 47 -9.506 -5.495 3.729 1.00 0.00 O ATOM 651 OE2 GLU A 47 -7.729 -4.288 4.194 1.00 0.00 O ATOM 0 H GLU A 47 -10.354 -5.930 -1.003 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.904 -3.469 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.488 -5.120 1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.133 -5.785 0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.627 -4.170 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.906 -3.059 2.033 1.00 0.00 H new ATOM 658 N LEU A 48 -7.900 -3.591 -1.249 1.00 0.00 N ATOM 659 CA LEU A 48 -6.773 -2.773 -1.684 1.00 0.00 C ATOM 660 C LEU A 48 -7.199 -1.791 -2.769 1.00 0.00 C ATOM 661 O LEU A 48 -6.645 -0.697 -2.883 1.00 0.00 O ATOM 662 CB LEU A 48 -5.642 -3.664 -2.201 1.00 0.00 C ATOM 663 CG LEU A 48 -4.719 -4.262 -1.139 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.821 -5.327 -1.750 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.885 -3.172 -0.481 1.00 0.00 C ATOM 0 H LEU A 48 -7.850 -4.567 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.416 -2.204 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.083 -4.481 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.035 -3.081 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.336 -4.732 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.171 -5.741 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.435 -6.122 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.212 -4.882 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.234 -3.616 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.278 -2.673 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.545 -2.445 -0.007 1.00 0.00 H new ATOM 677 N CYS A 49 -8.187 -2.187 -3.564 1.00 0.00 N ATOM 678 CA CYS A 49 -8.690 -1.341 -4.640 1.00 0.00 C ATOM 679 C CYS A 49 -9.327 -0.072 -4.082 1.00 0.00 C ATOM 680 O CYS A 49 -9.392 0.951 -4.762 1.00 0.00 O ATOM 681 CB CYS A 49 -9.707 -2.107 -5.487 1.00 0.00 C ATOM 682 SG CYS A 49 -9.030 -3.566 -6.313 1.00 0.00 S ATOM 0 H CYS A 49 -8.656 -3.089 -3.483 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.846 -1.056 -5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.536 -2.415 -4.850 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.117 -1.434 -6.240 1.00 0.00 H new ATOM 0 HG CYS A 49 -8.765 -4.482 -5.429 1.00 0.00 H new ATOM 688 N GLN A 50 -9.796 -0.149 -2.841 1.00 0.00 N ATOM 689 CA GLN A 50 -10.431 0.993 -2.193 1.00 0.00 C ATOM 690 C GLN A 50 -9.406 1.823 -1.427 1.00 0.00 C ATOM 691 O GLN A 50 -9.162 2.985 -1.754 1.00 0.00 O ATOM 692 CB GLN A 50 -11.533 0.520 -1.244 1.00 0.00 C ATOM 693 CG GLN A 50 -12.361 -0.628 -1.798 1.00 0.00 C ATOM 694 CD GLN A 50 -12.897 -1.539 -0.711 1.00 0.00 C ATOM 695 OE1 GLN A 50 -12.244 -1.757 0.310 1.00 0.00 O ATOM 696 NE2 GLN A 50 -14.093 -2.075 -0.923 1.00 0.00 N ATOM 0 H GLN A 50 -9.748 -0.989 -2.264 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.873 1.619 -2.968 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.081 0.210 -0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.193 1.358 -1.020 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -13.195 -0.225 -2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.751 -1.211 -2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.600 -1.867 -1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.505 -2.694 -0.225 1.00 0.00 H new ATOM 705 N VAL A 51 -8.807 1.219 -0.405 1.00 0.00 N ATOM 706 CA VAL A 51 -7.808 1.902 0.408 1.00 0.00 C ATOM 707 C VAL A 51 -6.698 2.483 -0.461 1.00 0.00 C ATOM 708 O VAL A 51 -6.191 3.573 -0.193 1.00 0.00 O ATOM 709 CB VAL A 51 -7.187 0.952 1.449 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.759 -0.352 0.794 1.00 0.00 C ATOM 711 CG2 VAL A 51 -6.010 1.620 2.143 1.00 0.00 C ATOM 0 H VAL A 51 -8.997 0.258 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.321 2.712 0.927 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.941 0.722 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.323 -1.010 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.627 -0.837 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.020 -0.145 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.583 0.935 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.252 1.880 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.350 2.524 2.647 1.00 0.00 H new ATOM 721 N VAL A 52 -6.323 1.749 -1.503 1.00 0.00 N ATOM 722 CA VAL A 52 -5.273 2.191 -2.413 1.00 0.00 C ATOM 723 C VAL A 52 -5.853 2.993 -3.573 1.00 0.00 C ATOM 724 O VAL A 52 -5.123 3.657 -4.308 1.00 0.00 O ATOM 725 CB VAL A 52 -4.478 0.998 -2.975 1.00 0.00 C ATOM 726 CG1 VAL A 52 -3.149 1.465 -3.549 1.00 0.00 C ATOM 727 CG2 VAL A 52 -4.263 -0.054 -1.897 1.00 0.00 C ATOM 0 H VAL A 52 -6.731 0.844 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.601 2.826 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.056 0.546 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.601 0.608 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.330 2.179 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.562 1.943 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.700 -0.890 -2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.707 0.383 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.229 -0.410 -1.538 1.00 0.00 H new ATOM 737 N ARG A 53 -7.171 2.927 -3.730 1.00 0.00 N ATOM 738 CA ARG A 53 -7.850 3.646 -4.801 1.00 0.00 C ATOM 739 C ARG A 53 -7.307 3.230 -6.165 1.00 0.00 C ATOM 740 O ARG A 53 -6.892 4.071 -6.963 1.00 0.00 O ATOM 741 CB ARG A 53 -7.686 5.156 -4.615 1.00 0.00 C ATOM 742 CG ARG A 53 -8.014 5.635 -3.210 1.00 0.00 C ATOM 743 CD ARG A 53 -8.542 7.061 -3.217 1.00 0.00 C ATOM 744 NE ARG A 53 -8.286 7.745 -1.952 1.00 0.00 N ATOM 745 CZ ARG A 53 -7.072 8.078 -1.529 1.00 0.00 C ATOM 746 NH1 ARG A 53 -6.007 7.791 -2.266 1.00 0.00 N ATOM 747 NH2 ARG A 53 -6.920 8.699 -0.366 1.00 0.00 N ATOM 0 H ARG A 53 -7.790 2.383 -3.129 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.910 3.394 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.659 5.434 -4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.330 5.673 -5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.756 4.973 -2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.121 5.580 -2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.075 7.616 -4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.614 7.050 -3.413 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.084 7.980 -1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.119 7.313 -3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.076 8.048 -1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.736 8.921 0.204 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.987 8.954 -0.042 1.00 0.00 H new ATOM 761 N LEU A 54 -7.312 1.927 -6.425 1.00 0.00 N ATOM 762 CA LEU A 54 -6.820 1.398 -7.693 1.00 0.00 C ATOM 763 C LEU A 54 -7.846 0.465 -8.328 1.00 0.00 C ATOM 764 O LEU A 54 -8.526 -0.291 -7.636 1.00 0.00 O ATOM 765 CB LEU A 54 -5.501 0.654 -7.479 1.00 0.00 C ATOM 766 CG LEU A 54 -4.555 0.608 -8.679 1.00 0.00 C ATOM 767 CD1 LEU A 54 -3.190 0.080 -8.264 1.00 0.00 C ATOM 768 CD2 LEU A 54 -5.144 -0.250 -9.790 1.00 0.00 C ATOM 0 H LEU A 54 -7.651 1.218 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.652 2.237 -8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.976 1.119 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.728 -0.370 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.430 1.623 -9.057 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.531 0.055 -9.132 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.763 0.733 -7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.297 -0.927 -7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.457 -0.271 -10.636 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.299 -1.264 -9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.098 0.171 -10.108 1.00 0.00 H new ATOM 780 N VAL A 55 -7.950 0.523 -9.652 1.00 0.00 N ATOM 781 CA VAL A 55 -8.890 -0.319 -10.383 1.00 0.00 C ATOM 782 C VAL A 55 -8.614 -1.797 -10.131 1.00 0.00 C ATOM 783 O VAL A 55 -7.470 -2.251 -10.142 1.00 0.00 O ATOM 784 CB VAL A 55 -8.828 -0.046 -11.897 1.00 0.00 C ATOM 785 CG1 VAL A 55 -9.694 -1.041 -12.655 1.00 0.00 C ATOM 786 CG2 VAL A 55 -9.254 1.382 -12.199 1.00 0.00 C ATOM 0 H VAL A 55 -7.395 1.144 -10.240 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.887 -0.072 -10.018 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.797 -0.171 -12.229 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.638 -0.832 -13.723 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.338 -2.053 -12.464 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.728 -0.951 -12.322 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.204 1.557 -13.274 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.276 1.538 -11.853 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.588 2.076 -11.687 1.00 0.00 H new ATOM 796 N PRO A 56 -9.687 -2.568 -9.900 1.00 0.00 N ATOM 797 CA PRO A 56 -9.586 -4.008 -9.643 1.00 0.00 C ATOM 798 C PRO A 56 -9.169 -4.790 -10.883 1.00 0.00 C ATOM 799 O PRO A 56 -8.345 -5.701 -10.806 1.00 0.00 O ATOM 800 CB PRO A 56 -11.006 -4.393 -9.221 1.00 0.00 C ATOM 801 CG PRO A 56 -11.881 -3.367 -9.855 1.00 0.00 C ATOM 802 CD PRO A 56 -11.081 -2.094 -9.873 1.00 0.00 C ATOM 0 HA PRO A 56 -8.827 -4.236 -8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.262 -5.396 -9.561 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.112 -4.388 -8.136 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.163 -3.665 -10.865 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.805 -3.239 -9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.315 -1.484 -10.746 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.280 -1.482 -8.994 1.00 0.00 H new ATOM 810 N GLY A 57 -9.742 -4.429 -12.027 1.00 0.00 N ATOM 811 CA GLY A 57 -9.416 -5.108 -13.267 1.00 0.00 C ATOM 812 C GLY A 57 -7.953 -4.966 -13.638 1.00 0.00 C ATOM 813 O GLY A 57 -7.421 -5.765 -14.408 1.00 0.00 O ATOM 0 H GLY A 57 -10.426 -3.678 -12.117 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.663 -6.166 -13.175 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.032 -4.706 -14.071 1.00 0.00 H new ATOM 817 N ALA A 58 -7.301 -3.946 -13.090 1.00 0.00 N ATOM 818 CA ALA A 58 -5.891 -3.703 -13.368 1.00 0.00 C ATOM 819 C ALA A 58 -5.003 -4.363 -12.318 1.00 0.00 C ATOM 820 O ALA A 58 -4.029 -5.038 -12.650 1.00 0.00 O ATOM 821 CB ALA A 58 -5.615 -2.208 -13.430 1.00 0.00 C ATOM 0 H ALA A 58 -7.727 -3.275 -12.451 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.656 -4.145 -14.336 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.558 -2.041 -13.638 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.216 -1.760 -14.221 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.873 -1.750 -12.475 1.00 0.00 H new ATOM 827 N TYR A 59 -5.346 -4.163 -11.050 1.00 0.00 N ATOM 828 CA TYR A 59 -4.577 -4.736 -9.951 1.00 0.00 C ATOM 829 C TYR A 59 -4.173 -6.174 -10.261 1.00 0.00 C ATOM 830 O TYR A 59 -3.117 -6.641 -9.832 1.00 0.00 O ATOM 831 CB TYR A 59 -5.389 -4.691 -8.656 1.00 0.00 C ATOM 832 CG TYR A 59 -4.830 -5.569 -7.559 1.00 0.00 C ATOM 833 CD1 TYR A 59 -5.131 -6.924 -7.506 1.00 0.00 C ATOM 834 CD2 TYR A 59 -3.998 -5.044 -6.578 1.00 0.00 C ATOM 835 CE1 TYR A 59 -4.622 -7.730 -6.505 1.00 0.00 C ATOM 836 CE2 TYR A 59 -3.484 -5.842 -5.575 1.00 0.00 C ATOM 837 CZ TYR A 59 -3.799 -7.184 -5.542 1.00 0.00 C ATOM 838 OH TYR A 59 -3.289 -7.984 -4.545 1.00 0.00 O ATOM 0 H TYR A 59 -6.151 -3.609 -10.758 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.672 -4.142 -9.826 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.432 -3.662 -8.300 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.413 -4.998 -8.869 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.774 -7.355 -8.260 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.749 -3.993 -6.600 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.867 -8.781 -6.477 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.839 -5.417 -4.820 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.728 -7.446 -3.948 1.00 0.00 H new ATOM 848 N LEU A 60 -5.019 -6.871 -11.011 1.00 0.00 N ATOM 849 CA LEU A 60 -4.752 -8.257 -11.381 1.00 0.00 C ATOM 850 C LEU A 60 -3.601 -8.341 -12.379 1.00 0.00 C ATOM 851 O LEU A 60 -2.701 -9.168 -12.234 1.00 0.00 O ATOM 852 CB LEU A 60 -6.006 -8.898 -11.976 1.00 0.00 C ATOM 853 CG LEU A 60 -7.267 -8.832 -11.113 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.480 -9.298 -11.904 1.00 0.00 C ATOM 855 CD2 LEU A 60 -7.096 -9.669 -9.854 1.00 0.00 C ATOM 0 H LEU A 60 -5.896 -6.499 -11.375 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.468 -8.800 -10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.218 -8.417 -12.931 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.789 -9.945 -12.188 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.428 -7.795 -10.817 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.368 -9.244 -11.274 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.614 -8.657 -12.776 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.328 -10.327 -12.230 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.003 -9.610 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.910 -10.707 -10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.252 -9.290 -9.277 1.00 0.00 H new ATOM 867 N GLU A 61 -3.637 -7.479 -13.390 1.00 0.00 N ATOM 868 CA GLU A 61 -2.596 -7.456 -14.411 1.00 0.00 C ATOM 869 C GLU A 61 -1.213 -7.352 -13.775 1.00 0.00 C ATOM 870 O GLU A 61 -0.245 -7.930 -14.270 1.00 0.00 O ATOM 871 CB GLU A 61 -2.818 -6.286 -15.371 1.00 0.00 C ATOM 872 CG GLU A 61 -3.690 -6.635 -16.565 1.00 0.00 C ATOM 873 CD GLU A 61 -3.289 -7.943 -17.218 1.00 0.00 C ATOM 874 OE1 GLU A 61 -2.089 -8.287 -17.171 1.00 0.00 O ATOM 875 OE2 GLU A 61 -4.176 -8.624 -17.775 1.00 0.00 O ATOM 0 H GLU A 61 -4.375 -6.788 -13.524 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.650 -8.390 -14.970 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.277 -5.461 -14.825 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.851 -5.932 -15.729 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.730 -6.697 -16.245 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.630 -5.833 -17.301 1.00 0.00 H new ATOM 882 N TYR A 62 -1.128 -6.610 -12.676 1.00 0.00 N ATOM 883 CA TYR A 62 0.137 -6.427 -11.974 1.00 0.00 C ATOM 884 C TYR A 62 0.542 -7.702 -11.240 1.00 0.00 C ATOM 885 O TYR A 62 1.728 -7.996 -11.089 1.00 0.00 O ATOM 886 CB TYR A 62 0.030 -5.266 -10.983 1.00 0.00 C ATOM 887 CG TYR A 62 -0.517 -3.997 -11.595 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.599 -3.845 -12.974 1.00 0.00 C ATOM 889 CD2 TYR A 62 -0.954 -2.949 -10.794 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.098 -2.686 -13.536 1.00 0.00 C ATOM 891 CE2 TYR A 62 -1.455 -1.787 -11.347 1.00 0.00 C ATOM 892 CZ TYR A 62 -1.525 -1.660 -12.719 1.00 0.00 C ATOM 893 OH TYR A 62 -2.024 -0.505 -13.276 1.00 0.00 O ATOM 0 H TYR A 62 -1.920 -6.126 -12.252 1.00 0.00 H new ATOM 0 HA TYR A 62 0.904 -6.196 -12.713 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.611 -5.565 -10.154 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.017 -5.063 -10.566 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.267 -4.647 -13.617 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.901 -3.045 -9.720 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.154 -2.584 -14.610 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.790 -0.982 -10.709 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.281 0.117 -12.564 1.00 0.00 H new ATOM 903 N LYS A 63 -0.453 -8.456 -10.785 1.00 0.00 N ATOM 904 CA LYS A 63 -0.203 -9.701 -10.068 1.00 0.00 C ATOM 905 C LYS A 63 0.649 -10.650 -10.905 1.00 0.00 C ATOM 906 O LYS A 63 1.627 -11.215 -10.417 1.00 0.00 O ATOM 907 CB LYS A 63 -1.527 -10.376 -9.701 1.00 0.00 C ATOM 908 CG LYS A 63 -2.387 -9.555 -8.757 1.00 0.00 C ATOM 909 CD LYS A 63 -2.061 -9.854 -7.303 1.00 0.00 C ATOM 910 CE LYS A 63 -2.765 -11.114 -6.822 1.00 0.00 C ATOM 911 NZ LYS A 63 -2.526 -11.364 -5.374 1.00 0.00 N ATOM 0 H LYS A 63 -1.440 -8.227 -10.900 1.00 0.00 H new ATOM 0 HA LYS A 63 0.342 -9.462 -9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.090 -10.573 -10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.318 -11.342 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.234 -8.494 -8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.440 -9.766 -8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.984 -9.971 -7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.359 -9.010 -6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.836 -11.023 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.415 -11.969 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.022 -12.231 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.506 -11.476 -5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.883 -10.560 -4.819 1.00 0.00 H new ATOM 925 N SER A 64 0.271 -10.819 -12.168 1.00 0.00 N ATOM 926 CA SER A 64 0.999 -11.701 -13.073 1.00 0.00 C ATOM 927 C SER A 64 2.456 -11.267 -13.199 1.00 0.00 C ATOM 928 O SER A 64 3.364 -11.958 -12.738 1.00 0.00 O ATOM 929 CB SER A 64 0.337 -11.712 -14.452 1.00 0.00 C ATOM 930 OG SER A 64 -0.309 -10.479 -14.717 1.00 0.00 O ATOM 0 H SER A 64 -0.535 -10.357 -12.588 1.00 0.00 H new ATOM 0 HA SER A 64 0.973 -12.708 -12.658 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.088 -11.905 -15.218 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.388 -12.525 -14.505 1.00 0.00 H new ATOM 0 HG SER A 64 0.159 -9.757 -14.248 1.00 0.00 H new ATOM 936 N ALA A 65 2.671 -10.116 -13.827 1.00 0.00 N ATOM 937 CA ALA A 65 4.017 -9.587 -14.013 1.00 0.00 C ATOM 938 C ALA A 65 4.836 -9.707 -12.733 1.00 0.00 C ATOM 939 O ALA A 65 5.844 -10.414 -12.693 1.00 0.00 O ATOM 940 CB ALA A 65 3.955 -8.136 -14.468 1.00 0.00 C ATOM 0 H ALA A 65 1.931 -9.532 -14.216 1.00 0.00 H new ATOM 0 HA ALA A 65 4.510 -10.178 -14.785 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.967 -7.753 -14.603 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.414 -8.074 -15.412 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.439 -7.540 -13.715 1.00 0.00 H new ATOM 946 N LEU A 66 4.397 -9.014 -11.688 1.00 0.00 N ATOM 947 CA LEU A 66 5.091 -9.043 -10.405 1.00 0.00 C ATOM 948 C LEU A 66 5.572 -10.453 -10.077 1.00 0.00 C ATOM 949 O LEU A 66 6.694 -10.644 -9.607 1.00 0.00 O ATOM 950 CB LEU A 66 4.170 -8.535 -9.294 1.00 0.00 C ATOM 951 CG LEU A 66 3.935 -7.024 -9.255 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.407 -6.601 -7.893 1.00 0.00 C ATOM 953 CD2 LEU A 66 5.217 -6.276 -9.588 1.00 0.00 C ATOM 0 H LEU A 66 3.564 -8.425 -11.704 1.00 0.00 H new ATOM 0 HA LEU A 66 5.961 -8.390 -10.476 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.204 -9.030 -9.395 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.587 -8.843 -8.335 1.00 0.00 H new ATOM 0 HG LEU A 66 3.186 -6.773 -10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.246 -5.523 -7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.464 -7.111 -7.694 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.132 -6.866 -7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.031 -5.203 -9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.987 -6.533 -8.861 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.553 -6.556 -10.587 1.00 0.00 H new ATOM 965 N LEU A 67 4.717 -11.437 -10.331 1.00 0.00 N ATOM 966 CA LEU A 67 5.055 -12.831 -10.066 1.00 0.00 C ATOM 967 C LEU A 67 5.910 -13.408 -11.190 1.00 0.00 C ATOM 968 O LEU A 67 6.680 -14.344 -10.980 1.00 0.00 O ATOM 969 CB LEU A 67 3.782 -13.663 -9.899 1.00 0.00 C ATOM 970 CG LEU A 67 3.003 -13.446 -8.602 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.543 -13.829 -8.785 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.627 -14.242 -7.465 1.00 0.00 C ATOM 0 H LEU A 67 3.785 -11.296 -10.720 1.00 0.00 H new ATOM 0 HA LEU A 67 5.630 -12.869 -9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.119 -13.448 -10.737 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.050 -14.717 -9.966 1.00 0.00 H new ATOM 0 HG LEU A 67 3.050 -12.388 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.005 -13.668 -7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.101 -13.214 -9.569 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.475 -14.880 -9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.059 -14.075 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.612 -15.303 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.657 -13.918 -7.317 1.00 0.00 H new ATOM 984 N ASN A 68 5.769 -12.841 -12.383 1.00 0.00 N ATOM 985 CA ASN A 68 6.530 -13.298 -13.541 1.00 0.00 C ATOM 986 C ASN A 68 8.021 -13.039 -13.349 1.00 0.00 C ATOM 987 O ASN A 68 8.852 -13.896 -13.647 1.00 0.00 O ATOM 988 CB ASN A 68 6.039 -12.596 -14.809 1.00 0.00 C ATOM 989 CG ASN A 68 6.234 -13.444 -16.051 1.00 0.00 C ATOM 990 OD1 ASN A 68 7.361 -13.769 -16.423 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.133 -13.805 -16.699 1.00 0.00 N ATOM 0 H ASN A 68 5.135 -12.065 -12.574 1.00 0.00 H new ATOM 0 HA ASN A 68 6.376 -14.372 -13.645 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.982 -12.353 -14.700 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.572 -11.653 -14.929 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.201 -14.375 -17.542 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.219 -13.512 -16.354 1.00 0.00 H new ATOM 998 N GLU A 69 8.351 -11.853 -12.847 1.00 0.00 N ATOM 999 CA GLU A 69 9.742 -11.483 -12.615 1.00 0.00 C ATOM 1000 C GLU A 69 10.298 -12.199 -11.388 1.00 0.00 C ATOM 1001 O GLU A 69 11.221 -13.007 -11.493 1.00 0.00 O ATOM 1002 CB GLU A 69 9.866 -9.968 -12.435 1.00 0.00 C ATOM 1003 CG GLU A 69 11.274 -9.442 -12.660 1.00 0.00 C ATOM 1004 CD GLU A 69 11.614 -9.297 -14.131 1.00 0.00 C ATOM 1005 OE1 GLU A 69 10.676 -9.218 -14.951 1.00 0.00 O ATOM 1006 OE2 GLU A 69 12.818 -9.262 -14.461 1.00 0.00 O ATOM 0 H GLU A 69 7.675 -11.133 -12.593 1.00 0.00 H new ATOM 0 HA GLU A 69 10.323 -11.787 -13.486 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.187 -9.471 -13.128 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.545 -9.703 -11.428 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.379 -8.474 -12.169 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.989 -10.117 -12.190 1.00 0.00 H new ATOM 1013 N CYS A 70 9.731 -11.896 -10.226 1.00 0.00 N ATOM 1014 CA CYS A 70 10.170 -12.509 -8.977 1.00 0.00 C ATOM 1015 C CYS A 70 10.406 -14.005 -9.160 1.00 0.00 C ATOM 1016 O CYS A 70 11.236 -14.602 -8.473 1.00 0.00 O ATOM 1017 CB CYS A 70 9.134 -12.274 -7.877 1.00 0.00 C ATOM 1018 SG CYS A 70 9.355 -13.321 -6.419 1.00 0.00 S ATOM 0 H CYS A 70 8.966 -11.229 -10.122 1.00 0.00 H new ATOM 0 HA CYS A 70 11.111 -12.044 -8.684 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.176 -11.229 -7.570 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.139 -12.446 -8.287 1.00 0.00 H new ATOM 0 HG CYS A 70 10.289 -14.196 -6.650 1.00 0.00 H new ATOM 1024 N HIS A 71 9.668 -14.606 -10.088 1.00 0.00 N ATOM 1025 CA HIS A 71 9.796 -16.033 -10.360 1.00 0.00 C ATOM 1026 C HIS A 71 11.160 -16.351 -10.965 1.00 0.00 C ATOM 1027 O HIS A 71 11.815 -17.318 -10.575 1.00 0.00 O ATOM 1028 CB HIS A 71 8.686 -16.495 -11.305 1.00 0.00 C ATOM 1029 CG HIS A 71 7.400 -16.814 -10.607 1.00 0.00 C ATOM 1030 ND1 HIS A 71 6.418 -17.606 -11.163 1.00 0.00 N ATOM 1031 CD2 HIS A 71 6.937 -16.443 -9.390 1.00 0.00 C ATOM 1032 CE1 HIS A 71 5.406 -17.707 -10.320 1.00 0.00 C ATOM 1033 NE2 HIS A 71 5.697 -17.011 -9.235 1.00 0.00 N ATOM 0 H HIS A 71 8.976 -14.127 -10.664 1.00 0.00 H new ATOM 0 HA HIS A 71 9.704 -16.567 -9.414 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.504 -15.717 -12.047 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.025 -17.378 -11.846 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.448 -15.817 -8.674 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.496 -18.264 -10.489 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.098 -16.912 -8.416 1.00 0.00 H new ATOM 1042 N LYS A 72 11.583 -15.531 -11.922 1.00 0.00 N ATOM 1043 CA LYS A 72 12.870 -15.724 -12.581 1.00 0.00 C ATOM 1044 C LYS A 72 14.019 -15.534 -11.597 1.00 0.00 C ATOM 1045 O LYS A 72 14.760 -16.473 -11.307 1.00 0.00 O ATOM 1046 CB LYS A 72 13.018 -14.746 -13.750 1.00 0.00 C ATOM 1047 CG LYS A 72 11.849 -14.775 -14.719 1.00 0.00 C ATOM 1048 CD LYS A 72 11.657 -13.431 -15.402 1.00 0.00 C ATOM 1049 CE LYS A 72 12.751 -13.166 -16.425 1.00 0.00 C ATOM 1050 NZ LYS A 72 12.502 -13.888 -17.703 1.00 0.00 N ATOM 0 H LYS A 72 11.053 -14.727 -12.258 1.00 0.00 H new ATOM 0 HA LYS A 72 12.906 -16.745 -12.961 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.127 -13.736 -13.356 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.935 -14.977 -14.293 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.018 -15.546 -15.471 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.939 -15.046 -14.184 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.684 -13.407 -15.893 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.657 -12.638 -14.654 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.815 -12.095 -16.619 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.713 -13.474 -16.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.270 -13.681 -18.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.466 -14.912 -17.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.596 -13.576 -18.107 1.00 0.00 H new ATOM 1064 N GLN A 73 14.161 -14.315 -11.087 1.00 0.00 N ATOM 1065 CA GLN A 73 15.220 -14.004 -10.135 1.00 0.00 C ATOM 1066 C GLN A 73 14.963 -14.682 -8.793 1.00 0.00 C ATOM 1067 O GLN A 73 15.804 -15.428 -8.292 1.00 0.00 O ATOM 1068 CB GLN A 73 15.333 -12.491 -9.941 1.00 0.00 C ATOM 1069 CG GLN A 73 14.038 -11.837 -9.487 1.00 0.00 C ATOM 1070 CD GLN A 73 14.010 -10.346 -9.758 1.00 0.00 C ATOM 1071 OE1 GLN A 73 14.096 -9.534 -8.836 1.00 0.00 O ATOM 1072 NE2 GLN A 73 13.890 -9.976 -11.028 1.00 0.00 N ATOM 0 H GLN A 73 13.556 -13.527 -11.317 1.00 0.00 H new ATOM 0 HA GLN A 73 16.159 -14.383 -10.539 1.00 0.00 H new ATOM 0 HB2 GLN A 73 16.111 -12.284 -9.207 1.00 0.00 H new ATOM 0 HB3 GLN A 73 15.651 -12.036 -10.879 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.199 -12.311 -9.996 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.903 -12.011 -8.420 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.822 -10.682 -11.761 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.866 -8.986 -11.271 1.00 0.00 H new ATOM 1081 N GLY A 74 13.795 -14.418 -8.216 1.00 0.00 N ATOM 1082 CA GLY A 74 13.448 -15.011 -6.938 1.00 0.00 C ATOM 1083 C GLY A 74 13.159 -13.969 -5.875 1.00 0.00 C ATOM 1084 O GLY A 74 12.361 -14.202 -4.968 1.00 0.00 O ATOM 0 H GLY A 74 13.083 -13.804 -8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.574 -15.650 -7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.265 -15.650 -6.603 1.00 0.00 H new ATOM 1088 N GLY A 75 13.810 -12.815 -5.987 1.00 0.00 N ATOM 1089 CA GLY A 75 13.607 -11.752 -5.020 1.00 0.00 C ATOM 1090 C GLY A 75 13.317 -10.418 -5.679 1.00 0.00 C ATOM 1091 O GLY A 75 14.148 -9.889 -6.419 1.00 0.00 O ATOM 0 H GLY A 75 14.474 -12.597 -6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.779 -12.017 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.495 -11.660 -4.394 1.00 0.00 H new ATOM 1095 N LEU A 76 12.136 -9.872 -5.411 1.00 0.00 N ATOM 1096 CA LEU A 76 11.738 -8.591 -5.985 1.00 0.00 C ATOM 1097 C LEU A 76 11.498 -7.555 -4.890 1.00 0.00 C ATOM 1098 O LEU A 76 10.907 -7.859 -3.854 1.00 0.00 O ATOM 1099 CB LEU A 76 10.474 -8.759 -6.829 1.00 0.00 C ATOM 1100 CG LEU A 76 10.279 -7.742 -7.955 1.00 0.00 C ATOM 1101 CD1 LEU A 76 11.291 -7.976 -9.066 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.860 -7.815 -8.500 1.00 0.00 C ATOM 0 H LEU A 76 11.438 -10.296 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 76 12.549 -8.238 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.483 -9.758 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.610 -8.708 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 76 10.440 -6.743 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.137 -7.243 -9.858 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.300 -7.872 -8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 76 11.162 -8.980 -9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.740 -7.085 -9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.671 -8.815 -8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.152 -7.598 -7.701 1.00 0.00 H new ATOM 1114 N ARG A 77 11.959 -6.332 -5.129 1.00 0.00 N ATOM 1115 CA ARG A 77 11.794 -5.251 -4.165 1.00 0.00 C ATOM 1116 C ARG A 77 10.832 -4.192 -4.694 1.00 0.00 C ATOM 1117 O ARG A 77 10.380 -4.264 -5.838 1.00 0.00 O ATOM 1118 CB ARG A 77 13.147 -4.613 -3.846 1.00 0.00 C ATOM 1119 CG ARG A 77 13.913 -4.161 -5.078 1.00 0.00 C ATOM 1120 CD ARG A 77 15.096 -3.281 -4.707 1.00 0.00 C ATOM 1121 NE ARG A 77 14.677 -2.059 -4.026 1.00 0.00 N ATOM 1122 CZ ARG A 77 15.519 -1.104 -3.644 1.00 0.00 C ATOM 1123 NH1 ARG A 77 16.818 -1.230 -3.876 1.00 0.00 N ATOM 1124 NH2 ARG A 77 15.061 -0.021 -3.030 1.00 0.00 N ATOM 0 H ARG A 77 12.450 -6.065 -5.982 1.00 0.00 H new ATOM 0 HA ARG A 77 11.375 -5.673 -3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.990 -3.756 -3.192 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.755 -5.329 -3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.266 -5.033 -5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.245 -3.613 -5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.776 -3.840 -4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.651 -3.021 -5.608 1.00 0.00 H new ATOM 0 HE ARG A 77 13.684 -1.931 -3.833 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.173 -2.061 -4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.462 -0.496 -3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.062 0.079 -2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.708 0.711 -2.737 1.00 0.00 H new ATOM 1138 N LEU A 78 10.521 -3.210 -3.856 1.00 0.00 N ATOM 1139 CA LEU A 78 9.612 -2.135 -4.239 1.00 0.00 C ATOM 1140 C LEU A 78 10.100 -1.434 -5.503 1.00 0.00 C ATOM 1141 O LEU A 78 9.442 -1.479 -6.542 1.00 0.00 O ATOM 1142 CB LEU A 78 9.479 -1.123 -3.099 1.00 0.00 C ATOM 1143 CG LEU A 78 8.479 0.012 -3.323 1.00 0.00 C ATOM 1144 CD1 LEU A 78 7.063 -0.535 -3.415 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.583 1.043 -2.209 1.00 0.00 C ATOM 0 H LEU A 78 10.885 -3.136 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 78 8.635 -2.573 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.192 -1.660 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.460 -0.685 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 78 8.720 0.501 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.365 0.287 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.997 -1.234 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.811 -1.050 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.864 1.843 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.369 0.567 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.591 1.458 -2.191 1.00 0.00 H new ATOM 1157 N ALA A 79 11.257 -0.788 -5.406 1.00 0.00 N ATOM 1158 CA ALA A 79 11.835 -0.082 -6.543 1.00 0.00 C ATOM 1159 C ALA A 79 11.621 -0.858 -7.838 1.00 0.00 C ATOM 1160 O ALA A 79 11.186 -0.297 -8.843 1.00 0.00 O ATOM 1161 CB ALA A 79 13.318 0.166 -6.312 1.00 0.00 C ATOM 0 H ALA A 79 11.813 -0.739 -4.552 1.00 0.00 H new ATOM 0 HA ALA A 79 11.328 0.878 -6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.736 0.694 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.450 0.769 -5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.831 -0.787 -6.187 1.00 0.00 H new ATOM 1167 N GLN A 80 11.931 -2.150 -7.806 1.00 0.00 N ATOM 1168 CA GLN A 80 11.774 -3.002 -8.978 1.00 0.00 C ATOM 1169 C GLN A 80 10.300 -3.275 -9.259 1.00 0.00 C ATOM 1170 O GLN A 80 9.884 -3.361 -10.414 1.00 0.00 O ATOM 1171 CB GLN A 80 12.520 -4.322 -8.780 1.00 0.00 C ATOM 1172 CG GLN A 80 13.915 -4.151 -8.200 1.00 0.00 C ATOM 1173 CD GLN A 80 14.977 -3.992 -9.270 1.00 0.00 C ATOM 1174 OE1 GLN A 80 15.672 -2.978 -9.325 1.00 0.00 O ATOM 1175 NE2 GLN A 80 15.108 -4.997 -10.128 1.00 0.00 N ATOM 0 H GLN A 80 12.292 -2.629 -6.981 1.00 0.00 H new ATOM 0 HA GLN A 80 12.198 -2.479 -9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.937 -4.964 -8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.594 -4.835 -9.739 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.928 -3.278 -7.548 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.155 -5.015 -7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 80 14.510 -5.819 -10.045 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.806 -4.947 -10.870 1.00 0.00 H new ATOM 1184 N ALA A 81 9.515 -3.411 -8.195 1.00 0.00 N ATOM 1185 CA ALA A 81 8.087 -3.673 -8.328 1.00 0.00 C ATOM 1186 C ALA A 81 7.390 -2.546 -9.082 1.00 0.00 C ATOM 1187 O ALA A 81 6.746 -2.777 -10.106 1.00 0.00 O ATOM 1188 CB ALA A 81 7.456 -3.862 -6.956 1.00 0.00 C ATOM 0 H ALA A 81 9.844 -3.344 -7.232 1.00 0.00 H new ATOM 0 HA ALA A 81 7.963 -4.591 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.390 -4.057 -7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.927 -4.706 -6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.599 -2.959 -6.362 1.00 0.00 H new ATOM 1194 N ARG A 82 7.522 -1.327 -8.570 1.00 0.00 N ATOM 1195 CA ARG A 82 6.903 -0.164 -9.195 1.00 0.00 C ATOM 1196 C ARG A 82 7.311 -0.053 -10.661 1.00 0.00 C ATOM 1197 O ARG A 82 6.664 0.640 -11.445 1.00 0.00 O ATOM 1198 CB ARG A 82 7.294 1.112 -8.448 1.00 0.00 C ATOM 1199 CG ARG A 82 8.733 1.540 -8.686 1.00 0.00 C ATOM 1200 CD ARG A 82 8.885 3.051 -8.607 1.00 0.00 C ATOM 1201 NE ARG A 82 8.716 3.687 -9.911 1.00 0.00 N ATOM 1202 CZ ARG A 82 8.827 4.996 -10.110 1.00 0.00 C ATOM 1203 NH1 ARG A 82 9.106 5.803 -9.096 1.00 0.00 N ATOM 1204 NH2 ARG A 82 8.659 5.499 -11.326 1.00 0.00 N ATOM 0 H ARG A 82 8.052 -1.119 -7.724 1.00 0.00 H new ATOM 0 HA ARG A 82 5.821 -0.289 -9.145 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.628 1.920 -8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.141 0.959 -7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.381 1.069 -7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.060 1.191 -9.665 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.150 3.453 -7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.870 3.296 -8.209 1.00 0.00 H new ATOM 0 HE ARG A 82 8.501 3.094 -10.713 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.236 5.419 -8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.191 6.807 -9.252 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.445 4.881 -12.108 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.744 6.504 -11.478 1.00 0.00 H new ATOM 1218 N ALA A 83 8.389 -0.741 -11.024 1.00 0.00 N ATOM 1219 CA ALA A 83 8.882 -0.721 -12.395 1.00 0.00 C ATOM 1220 C ALA A 83 8.035 -1.614 -13.296 1.00 0.00 C ATOM 1221 O ALA A 83 7.623 -1.204 -14.382 1.00 0.00 O ATOM 1222 CB ALA A 83 10.340 -1.155 -12.438 1.00 0.00 C ATOM 0 H ALA A 83 8.937 -1.319 -10.387 1.00 0.00 H new ATOM 0 HA ALA A 83 8.808 0.301 -12.767 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.695 -1.135 -13.468 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.940 -0.474 -11.834 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.430 -2.167 -12.042 1.00 0.00 H new ATOM 1228 N LEU A 84 7.781 -2.835 -12.840 1.00 0.00 N ATOM 1229 CA LEU A 84 6.983 -3.787 -13.606 1.00 0.00 C ATOM 1230 C LEU A 84 5.593 -3.228 -13.891 1.00 0.00 C ATOM 1231 O LEU A 84 4.889 -3.712 -14.777 1.00 0.00 O ATOM 1232 CB LEU A 84 6.867 -5.111 -12.848 1.00 0.00 C ATOM 1233 CG LEU A 84 8.023 -6.095 -13.034 1.00 0.00 C ATOM 1234 CD1 LEU A 84 8.204 -6.948 -11.788 1.00 0.00 C ATOM 1235 CD2 LEU A 84 7.784 -6.973 -14.254 1.00 0.00 C ATOM 0 H LEU A 84 8.116 -3.190 -11.944 1.00 0.00 H new ATOM 0 HA LEU A 84 7.486 -3.962 -14.557 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.771 -4.891 -11.785 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.944 -5.603 -13.156 1.00 0.00 H new ATOM 0 HG LEU A 84 8.938 -5.525 -13.195 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.031 -7.642 -11.939 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.421 -6.305 -10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.290 -7.509 -11.595 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.616 -7.667 -14.371 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.859 -7.534 -14.123 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.705 -6.347 -15.143 1.00 0.00 H new ATOM 1247 N ILE A 85 5.207 -2.205 -13.136 1.00 0.00 N ATOM 1248 CA ILE A 85 3.902 -1.578 -13.310 1.00 0.00 C ATOM 1249 C ILE A 85 4.042 -0.163 -13.864 1.00 0.00 C ATOM 1250 O ILE A 85 3.131 0.356 -14.508 1.00 0.00 O ATOM 1251 CB ILE A 85 3.122 -1.523 -11.984 1.00 0.00 C ATOM 1252 CG1 ILE A 85 4.059 -1.160 -10.830 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.437 -2.855 -11.717 1.00 0.00 C ATOM 1254 CD1 ILE A 85 3.382 -1.166 -9.477 1.00 0.00 C ATOM 0 H ILE A 85 5.779 -1.793 -12.399 1.00 0.00 H new ATOM 0 HA ILE A 85 3.349 -2.192 -14.021 1.00 0.00 H new ATOM 0 HB ILE A 85 2.356 -0.751 -12.062 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.892 -1.863 -10.814 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.480 -0.171 -11.012 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.890 -2.800 -10.776 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.743 -3.076 -12.528 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.187 -3.644 -11.655 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.106 -0.900 -8.707 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.567 -0.442 -9.475 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.985 -2.160 -9.273 1.00 0.00 H new ATOM 1266 N LYS A 86 5.190 0.455 -13.609 1.00 0.00 N ATOM 1267 CA LYS A 86 5.453 1.808 -14.084 1.00 0.00 C ATOM 1268 C LYS A 86 4.447 2.794 -13.499 1.00 0.00 C ATOM 1269 O LYS A 86 4.048 3.753 -14.160 1.00 0.00 O ATOM 1270 CB LYS A 86 5.399 1.854 -15.612 1.00 0.00 C ATOM 1271 CG LYS A 86 6.730 1.549 -16.277 1.00 0.00 C ATOM 1272 CD LYS A 86 7.704 2.706 -16.133 1.00 0.00 C ATOM 1273 CE LYS A 86 8.693 2.750 -17.288 1.00 0.00 C ATOM 1274 NZ LYS A 86 8.070 3.283 -18.531 1.00 0.00 N ATOM 0 H LYS A 86 5.954 0.040 -13.075 1.00 0.00 H new ATOM 0 HA LYS A 86 6.451 2.095 -13.754 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.655 1.139 -15.963 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.064 2.843 -15.926 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.162 0.652 -15.834 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.569 1.337 -17.334 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.152 3.645 -16.090 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.246 2.612 -15.192 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.545 3.372 -17.013 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.077 1.747 -17.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.808 3.457 -19.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.388 2.591 -18.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.578 4.174 -18.318 1.00 0.00 H new ATOM 1288 N ILE A 87 4.043 2.553 -12.256 1.00 0.00 N ATOM 1289 CA ILE A 87 3.086 3.422 -11.583 1.00 0.00 C ATOM 1290 C ILE A 87 3.684 4.020 -10.314 1.00 0.00 C ATOM 1291 O ILE A 87 4.612 3.460 -9.729 1.00 0.00 O ATOM 1292 CB ILE A 87 1.795 2.664 -11.220 1.00 0.00 C ATOM 1293 CG1 ILE A 87 2.079 1.616 -10.142 1.00 0.00 C ATOM 1294 CG2 ILE A 87 1.199 2.010 -12.458 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.878 1.293 -9.282 1.00 0.00 C ATOM 0 H ILE A 87 4.363 1.764 -11.695 1.00 0.00 H new ATOM 0 HA ILE A 87 2.843 4.224 -12.281 1.00 0.00 H new ATOM 0 HB ILE A 87 1.071 3.377 -10.825 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.430 0.701 -10.620 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.887 1.973 -9.504 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.287 1.478 -12.185 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.965 2.776 -13.197 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.917 1.307 -12.879 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.153 0.543 -8.540 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.539 2.197 -8.776 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.075 0.906 -9.909 1.00 0.00 H new ATOM 1307 N ASP A 88 3.146 5.160 -9.893 1.00 0.00 N ATOM 1308 CA ASP A 88 3.625 5.833 -8.691 1.00 0.00 C ATOM 1309 C ASP A 88 3.796 4.842 -7.545 1.00 0.00 C ATOM 1310 O ASP A 88 2.848 4.161 -7.152 1.00 0.00 O ATOM 1311 CB ASP A 88 2.655 6.943 -8.282 1.00 0.00 C ATOM 1312 CG ASP A 88 3.352 8.090 -7.578 1.00 0.00 C ATOM 1313 OD1 ASP A 88 4.342 7.832 -6.861 1.00 0.00 O ATOM 1314 OD2 ASP A 88 2.908 9.245 -7.743 1.00 0.00 O ATOM 0 H ASP A 88 2.378 5.637 -10.366 1.00 0.00 H new ATOM 0 HA ASP A 88 4.597 6.274 -8.914 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.145 7.321 -9.168 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.889 6.529 -7.626 1.00 0.00 H new ATOM 1319 N VAL A 89 5.011 4.765 -7.012 1.00 0.00 N ATOM 1320 CA VAL A 89 5.307 3.856 -5.910 1.00 0.00 C ATOM 1321 C VAL A 89 4.287 4.006 -4.786 1.00 0.00 C ATOM 1322 O VAL A 89 3.880 3.023 -4.170 1.00 0.00 O ATOM 1323 CB VAL A 89 6.718 4.102 -5.344 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.850 5.530 -4.838 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.029 3.104 -4.238 1.00 0.00 C ATOM 0 H VAL A 89 5.807 5.321 -7.325 1.00 0.00 H new ATOM 0 HA VAL A 89 5.256 2.844 -6.311 1.00 0.00 H new ATOM 0 HB VAL A 89 7.442 3.959 -6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.854 5.684 -4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.673 6.225 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.118 5.706 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.030 3.292 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.301 3.213 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.979 2.091 -4.637 1.00 0.00 H new ATOM 1335 N ASN A 90 3.879 5.244 -4.526 1.00 0.00 N ATOM 1336 CA ASN A 90 2.907 5.522 -3.475 1.00 0.00 C ATOM 1337 C ASN A 90 1.702 4.592 -3.588 1.00 0.00 C ATOM 1338 O ASN A 90 0.948 4.417 -2.631 1.00 0.00 O ATOM 1339 CB ASN A 90 2.448 6.980 -3.550 1.00 0.00 C ATOM 1340 CG ASN A 90 3.490 7.942 -3.013 1.00 0.00 C ATOM 1341 OD1 ASN A 90 4.466 8.261 -3.692 1.00 0.00 O ATOM 1342 ND2 ASN A 90 3.287 8.410 -1.786 1.00 0.00 N ATOM 0 H ASN A 90 4.206 6.070 -5.028 1.00 0.00 H new ATOM 0 HA ASN A 90 3.389 5.348 -2.513 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.222 7.234 -4.586 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.524 7.097 -2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.954 9.061 -1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.464 8.119 -1.259 1.00 0.00 H new ATOM 1349 N LYS A 91 1.529 3.998 -4.764 1.00 0.00 N ATOM 1350 CA LYS A 91 0.418 3.084 -5.003 1.00 0.00 C ATOM 1351 C LYS A 91 0.804 1.653 -4.644 1.00 0.00 C ATOM 1352 O LYS A 91 0.305 1.090 -3.669 1.00 0.00 O ATOM 1353 CB LYS A 91 -0.019 3.154 -6.468 1.00 0.00 C ATOM 1354 CG LYS A 91 -0.218 4.571 -6.977 1.00 0.00 C ATOM 1355 CD LYS A 91 -1.281 4.629 -8.062 1.00 0.00 C ATOM 1356 CE LYS A 91 -2.665 4.861 -7.475 1.00 0.00 C ATOM 1357 NZ LYS A 91 -3.734 4.716 -8.501 1.00 0.00 N ATOM 0 H LYS A 91 2.144 4.133 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.414 3.387 -4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.729 2.657 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.950 2.600 -6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.506 5.219 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.724 4.954 -7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.043 5.429 -8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.276 3.697 -8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.840 4.152 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.712 5.859 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.662 4.882 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.582 5.410 -9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.706 3.755 -8.898 1.00 0.00 H new ATOM 1371 N THR A 92 1.697 1.069 -5.437 1.00 0.00 N ATOM 1372 CA THR A 92 2.151 -0.296 -5.202 1.00 0.00 C ATOM 1373 C THR A 92 2.624 -0.479 -3.765 1.00 0.00 C ATOM 1374 O THR A 92 2.519 -1.568 -3.200 1.00 0.00 O ATOM 1375 CB THR A 92 3.294 -0.681 -6.160 1.00 0.00 C ATOM 1376 OG1 THR A 92 3.848 -1.945 -5.778 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.385 0.380 -6.155 1.00 0.00 C ATOM 0 H THR A 92 2.120 1.520 -6.248 1.00 0.00 H new ATOM 0 HA THR A 92 1.297 -0.948 -5.386 1.00 0.00 H new ATOM 0 HB THR A 92 2.885 -0.754 -7.168 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.573 -2.184 -6.393 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.181 0.086 -6.839 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.966 1.334 -6.474 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.790 0.481 -5.148 1.00 0.00 H new ATOM 1385 N ARG A 93 3.145 0.594 -3.178 1.00 0.00 N ATOM 1386 CA ARG A 93 3.635 0.551 -1.805 1.00 0.00 C ATOM 1387 C ARG A 93 2.658 -0.197 -0.902 1.00 0.00 C ATOM 1388 O ARG A 93 3.062 -0.854 0.058 1.00 0.00 O ATOM 1389 CB ARG A 93 3.854 1.969 -1.275 1.00 0.00 C ATOM 1390 CG ARG A 93 5.257 2.501 -1.519 1.00 0.00 C ATOM 1391 CD ARG A 93 5.665 3.506 -0.454 1.00 0.00 C ATOM 1392 NE ARG A 93 5.748 2.896 0.871 1.00 0.00 N ATOM 1393 CZ ARG A 93 5.682 3.587 2.003 1.00 0.00 C ATOM 1394 NH1 ARG A 93 5.532 4.904 1.973 1.00 0.00 N ATOM 1395 NH2 ARG A 93 5.765 2.960 3.170 1.00 0.00 N ATOM 0 H ARG A 93 3.239 1.503 -3.631 1.00 0.00 H new ATOM 0 HA ARG A 93 4.586 0.018 -1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.134 2.639 -1.745 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.650 1.983 -0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.965 1.672 -1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.303 2.971 -2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.631 3.939 -0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.945 4.324 -0.432 1.00 0.00 H new ATOM 0 HE ARG A 93 5.863 1.884 0.930 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.467 5.390 1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.482 5.432 2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.880 1.947 3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.714 3.491 4.039 1.00 0.00 H new ATOM 1409 N LYS A 94 1.372 -0.091 -1.216 1.00 0.00 N ATOM 1410 CA LYS A 94 0.336 -0.756 -0.434 1.00 0.00 C ATOM 1411 C LYS A 94 0.108 -2.179 -0.933 1.00 0.00 C ATOM 1412 O LYS A 94 -0.272 -3.063 -0.164 1.00 0.00 O ATOM 1413 CB LYS A 94 -0.972 0.035 -0.504 1.00 0.00 C ATOM 1414 CG LYS A 94 -0.770 1.531 -0.679 1.00 0.00 C ATOM 1415 CD LYS A 94 -1.895 2.325 -0.037 1.00 0.00 C ATOM 1416 CE LYS A 94 -1.582 2.661 1.413 1.00 0.00 C ATOM 1417 NZ LYS A 94 -2.819 2.915 2.203 1.00 0.00 N ATOM 0 H LYS A 94 1.021 0.449 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 94 0.671 -0.801 0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.571 -0.342 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.543 -0.142 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.182 1.825 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.715 1.770 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.059 3.245 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.821 1.752 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.025 1.840 1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.939 3.541 1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.566 3.350 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.443 3.557 1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.312 2.016 2.375 1.00 0.00 H new ATOM 1431 N ILE A 95 0.345 -2.395 -2.223 1.00 0.00 N ATOM 1432 CA ILE A 95 0.168 -3.712 -2.822 1.00 0.00 C ATOM 1433 C ILE A 95 1.342 -4.627 -2.494 1.00 0.00 C ATOM 1434 O ILE A 95 1.175 -5.660 -1.845 1.00 0.00 O ATOM 1435 CB ILE A 95 0.016 -3.618 -4.352 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -1.147 -2.692 -4.715 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.196 -5.002 -4.948 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -1.204 -2.342 -6.185 1.00 0.00 C ATOM 0 H ILE A 95 0.660 -1.675 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.745 -4.131 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 95 0.932 -3.200 -4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.084 -3.169 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.065 -1.773 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.302 -4.920 -6.030 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.661 -5.634 -4.714 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.099 -5.445 -4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.053 -1.683 -6.370 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.283 -1.837 -6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.318 -3.253 -6.772 1.00 0.00 H new ATOM 1450 N TYR A 96 2.530 -4.240 -2.945 1.00 0.00 N ATOM 1451 CA TYR A 96 3.734 -5.026 -2.700 1.00 0.00 C ATOM 1452 C TYR A 96 3.718 -5.623 -1.296 1.00 0.00 C ATOM 1453 O TYR A 96 3.795 -6.840 -1.126 1.00 0.00 O ATOM 1454 CB TYR A 96 4.981 -4.160 -2.884 1.00 0.00 C ATOM 1455 CG TYR A 96 6.269 -4.873 -2.542 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.731 -5.927 -3.320 1.00 0.00 C ATOM 1457 CD2 TYR A 96 7.026 -4.490 -1.441 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.907 -6.582 -3.010 1.00 0.00 C ATOM 1459 CE2 TYR A 96 8.205 -5.138 -1.125 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.641 -6.183 -1.912 1.00 0.00 C ATOM 1461 OH TYR A 96 9.814 -6.832 -1.601 1.00 0.00 O ATOM 0 H TYR A 96 2.685 -3.387 -3.482 1.00 0.00 H new ATOM 0 HA TYR A 96 3.757 -5.842 -3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.027 -3.820 -3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.891 -3.271 -2.260 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.161 -6.240 -4.182 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.687 -3.672 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.250 -7.402 -3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.782 -4.828 -0.266 1.00 0.00 H new ATOM 0 HH TYR A 96 10.111 -7.359 -2.372 1.00 0.00 H new ATOM 1471 N ASP A 97 3.619 -4.758 -0.294 1.00 0.00 N ATOM 1472 CA ASP A 97 3.591 -5.197 1.096 1.00 0.00 C ATOM 1473 C ASP A 97 2.564 -6.308 1.295 1.00 0.00 C ATOM 1474 O ASP A 97 2.846 -7.321 1.935 1.00 0.00 O ATOM 1475 CB ASP A 97 3.273 -4.020 2.020 1.00 0.00 C ATOM 1476 CG ASP A 97 3.338 -4.401 3.486 1.00 0.00 C ATOM 1477 OD1 ASP A 97 4.268 -5.144 3.866 1.00 0.00 O ATOM 1478 OD2 ASP A 97 2.461 -3.954 4.254 1.00 0.00 O ATOM 0 H ASP A 97 3.557 -3.747 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 97 4.577 -5.589 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.976 -3.210 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.278 -3.640 1.790 1.00 0.00 H new ATOM 1483 N PHE A 98 1.372 -6.110 0.743 1.00 0.00 N ATOM 1484 CA PHE A 98 0.302 -7.093 0.861 1.00 0.00 C ATOM 1485 C PHE A 98 0.721 -8.429 0.254 1.00 0.00 C ATOM 1486 O PHE A 98 0.482 -9.489 0.834 1.00 0.00 O ATOM 1487 CB PHE A 98 -0.966 -6.584 0.173 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.036 -7.629 0.038 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -2.745 -8.062 1.147 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.334 -8.179 -1.199 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -3.730 -9.023 1.026 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.319 -9.140 -1.326 1.00 0.00 C ATOM 1493 CZ PHE A 98 -4.017 -9.564 -0.212 1.00 0.00 C ATOM 0 H PHE A 98 1.123 -5.277 0.209 1.00 0.00 H new ATOM 0 HA PHE A 98 0.097 -7.243 1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.363 -5.740 0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.707 -6.211 -0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.525 -7.643 2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.790 -7.853 -2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.275 -9.351 1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.543 -9.559 -2.296 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.785 -10.317 -0.309 1.00 0.00 H new ATOM 1503 N LEU A 99 1.347 -8.370 -0.916 1.00 0.00 N ATOM 1504 CA LEU A 99 1.801 -9.574 -1.603 1.00 0.00 C ATOM 1505 C LEU A 99 2.902 -10.271 -0.811 1.00 0.00 C ATOM 1506 O LEU A 99 2.933 -11.499 -0.720 1.00 0.00 O ATOM 1507 CB LEU A 99 2.306 -9.226 -3.004 1.00 0.00 C ATOM 1508 CG LEU A 99 1.285 -8.591 -3.948 1.00 0.00 C ATOM 1509 CD1 LEU A 99 1.916 -8.300 -5.301 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.071 -9.495 -4.107 1.00 0.00 C ATOM 0 H LEU A 99 1.552 -7.501 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 99 0.954 -10.255 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.151 -8.545 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.683 -10.137 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 99 0.956 -7.647 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.174 -7.848 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.753 -7.613 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.275 -9.230 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.645 -9.027 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.384 -10.455 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.396 -9.651 -3.135 1.00 0.00 H new ATOM 1522 N ILE A 100 3.803 -9.480 -0.238 1.00 0.00 N ATOM 1523 CA ILE A 100 4.904 -10.021 0.550 1.00 0.00 C ATOM 1524 C ILE A 100 4.386 -10.852 1.719 1.00 0.00 C ATOM 1525 O ILE A 100 4.910 -11.928 2.008 1.00 0.00 O ATOM 1526 CB ILE A 100 5.811 -8.901 1.092 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.476 -8.149 -0.062 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.861 -9.478 2.030 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.600 -8.921 -0.719 1.00 0.00 C ATOM 0 H ILE A 100 3.792 -8.462 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 100 5.486 -10.658 -0.116 1.00 0.00 H new ATOM 0 HB ILE A 100 5.197 -8.197 1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.722 -7.912 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.866 -7.201 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.495 -8.674 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.369 -9.973 2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.473 -10.201 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.025 -8.327 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.373 -9.136 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.212 -9.857 -1.121 1.00 0.00 H new ATOM 1541 N ARG A 101 3.355 -10.347 2.387 1.00 0.00 N ATOM 1542 CA ARG A 101 2.766 -11.043 3.524 1.00 0.00 C ATOM 1543 C ARG A 101 1.836 -12.159 3.057 1.00 0.00 C ATOM 1544 O ARG A 101 1.560 -13.101 3.799 1.00 0.00 O ATOM 1545 CB ARG A 101 1.996 -10.060 4.408 1.00 0.00 C ATOM 1546 CG ARG A 101 0.734 -9.516 3.758 1.00 0.00 C ATOM 1547 CD ARG A 101 -0.257 -9.017 4.798 1.00 0.00 C ATOM 1548 NE ARG A 101 0.074 -7.675 5.270 1.00 0.00 N ATOM 1549 CZ ARG A 101 -0.667 -6.999 6.142 1.00 0.00 C ATOM 1550 NH1 ARG A 101 -1.774 -7.538 6.634 1.00 0.00 N ATOM 1551 NH2 ARG A 101 -0.300 -5.783 6.523 1.00 0.00 N ATOM 0 H ARG A 101 2.910 -9.458 2.160 1.00 0.00 H new ATOM 0 HA ARG A 101 3.575 -11.487 4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.729 -10.556 5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.650 -9.227 4.666 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.994 -8.702 3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.269 -10.296 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.260 -9.014 4.371 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.273 -9.705 5.643 1.00 0.00 H new ATOM 0 HE ARG A 101 0.920 -7.233 4.911 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.059 -8.473 6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.341 -7.017 7.303 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.551 -5.366 6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.869 -5.265 7.192 1.00 0.00 H new ATOM 1565 N GLU A 102 1.357 -12.044 1.822 1.00 0.00 N ATOM 1566 CA GLU A 102 0.457 -13.043 1.258 1.00 0.00 C ATOM 1567 C GLU A 102 1.231 -14.278 0.805 1.00 0.00 C ATOM 1568 O GLU A 102 0.654 -15.345 0.599 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.320 -12.454 0.078 1.00 0.00 C ATOM 1570 CG GLU A 102 -1.552 -11.668 0.494 1.00 0.00 C ATOM 1571 CD GLU A 102 -2.685 -12.562 0.959 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -3.000 -13.539 0.248 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -3.256 -12.286 2.035 1.00 0.00 O ATOM 0 H GLU A 102 1.577 -11.271 1.194 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.247 -13.341 2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.341 -11.802 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.622 -13.263 -0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.285 -10.979 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.893 -11.063 -0.346 1.00 0.00 H new ATOM 1580 N GLY A 103 2.542 -14.124 0.650 1.00 0.00 N ATOM 1581 CA GLY A 103 3.374 -15.233 0.221 1.00 0.00 C ATOM 1582 C GLY A 103 3.425 -15.371 -1.287 1.00 0.00 C ATOM 1583 O GLY A 103 3.692 -16.453 -1.810 1.00 0.00 O ATOM 0 H GLY A 103 3.043 -13.251 0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.385 -15.094 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.993 -16.158 0.655 1.00 0.00 H new ATOM 1587 N TYR A 104 3.168 -14.273 -1.989 1.00 0.00 N ATOM 1588 CA TYR A 104 3.181 -14.277 -3.447 1.00 0.00 C ATOM 1589 C TYR A 104 4.575 -13.958 -3.980 1.00 0.00 C ATOM 1590 O TYR A 104 4.981 -14.461 -5.028 1.00 0.00 O ATOM 1591 CB TYR A 104 2.172 -13.264 -3.990 1.00 0.00 C ATOM 1592 CG TYR A 104 0.736 -13.727 -3.890 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.272 -14.787 -4.659 1.00 0.00 C ATOM 1594 CD2 TYR A 104 -0.157 -13.104 -3.028 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -1.039 -15.213 -4.572 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.470 -13.524 -2.933 1.00 0.00 C ATOM 1597 CZ TYR A 104 -1.906 -14.579 -3.707 1.00 0.00 C ATOM 1598 OH TYR A 104 -3.213 -15.000 -3.617 1.00 0.00 O ATOM 0 H TYR A 104 2.948 -13.369 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 104 2.902 -15.275 -3.785 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.282 -12.327 -3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.406 -13.055 -5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.948 -15.287 -5.337 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.181 -12.277 -2.421 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.383 -16.038 -5.178 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.151 -13.029 -2.257 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.690 -14.449 -2.962 1.00 0.00 H new ATOM 1608 N ILE A 105 5.303 -13.120 -3.250 1.00 0.00 N ATOM 1609 CA ILE A 105 6.651 -12.735 -3.647 1.00 0.00 C ATOM 1610 C ILE A 105 7.594 -12.721 -2.448 1.00 0.00 C ATOM 1611 O ILE A 105 7.195 -13.031 -1.325 1.00 0.00 O ATOM 1612 CB ILE A 105 6.667 -11.347 -4.314 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.789 -10.370 -3.530 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.198 -11.448 -5.758 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.789 -8.968 -4.099 1.00 0.00 C ATOM 0 H ILE A 105 4.982 -12.695 -2.380 1.00 0.00 H new ATOM 0 HA ILE A 105 6.992 -13.479 -4.367 1.00 0.00 H new ATOM 0 HB ILE A 105 7.690 -10.970 -4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.766 -10.747 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.133 -10.334 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.215 -10.459 -6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.860 -12.115 -6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.182 -11.843 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.146 -8.330 -3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.805 -8.572 -4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.417 -8.991 -5.123 1.00 0.00 H new ATOM 1627 N THR A 106 8.849 -12.357 -2.694 1.00 0.00 N ATOM 1628 CA THR A 106 9.850 -12.302 -1.636 1.00 0.00 C ATOM 1629 C THR A 106 10.523 -10.935 -1.587 1.00 0.00 C ATOM 1630 O THR A 106 10.579 -10.222 -2.589 1.00 0.00 O ATOM 1631 CB THR A 106 10.927 -13.386 -1.824 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.346 -14.559 -2.404 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.577 -13.740 -0.495 1.00 0.00 C ATOM 0 H THR A 106 9.196 -12.096 -3.617 1.00 0.00 H new ATOM 0 HA THR A 106 9.327 -12.480 -0.696 1.00 0.00 H new ATOM 0 HB THR A 106 11.694 -12.993 -2.492 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.782 -14.751 -3.260 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.334 -14.508 -0.653 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.044 -12.851 -0.070 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.819 -14.115 0.192 1.00 0.00 H new ATOM 1641 N LYS A 107 11.036 -10.575 -0.415 1.00 0.00 N ATOM 1642 CA LYS A 107 11.708 -9.294 -0.235 1.00 0.00 C ATOM 1643 C LYS A 107 13.125 -9.339 -0.799 1.00 0.00 C ATOM 1644 O LYS A 107 13.920 -10.205 -0.437 1.00 0.00 O ATOM 1645 CB LYS A 107 11.751 -8.920 1.248 1.00 0.00 C ATOM 1646 CG LYS A 107 11.764 -7.422 1.498 1.00 0.00 C ATOM 1647 CD LYS A 107 10.356 -6.866 1.629 1.00 0.00 C ATOM 1648 CE LYS A 107 10.372 -5.375 1.931 1.00 0.00 C ATOM 1649 NZ LYS A 107 10.590 -5.104 3.378 1.00 0.00 N ATOM 0 H LYS A 107 10.999 -11.153 0.425 1.00 0.00 H new ATOM 0 HA LYS A 107 11.142 -8.537 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.887 -9.356 1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.638 -9.363 1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.326 -7.209 2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.280 -6.920 0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.805 -7.046 0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.828 -7.394 2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.159 -4.895 1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.428 -4.931 1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.594 -4.077 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.825 -5.540 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.503 -5.505 3.673 1.00 0.00 H new ATOM 1663 N ALA A 108 13.434 -8.399 -1.687 1.00 0.00 N ATOM 1664 CA ALA A 108 14.755 -8.330 -2.298 1.00 0.00 C ATOM 1665 C ALA A 108 15.630 -7.295 -1.600 1.00 0.00 C ATOM 1666 O ALA A 108 16.791 -7.103 -1.962 1.00 0.00 O ATOM 1667 CB ALA A 108 14.635 -8.009 -3.781 1.00 0.00 C ATOM 0 H ALA A 108 12.787 -7.675 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 108 15.231 -9.304 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.630 -7.961 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.055 -8.788 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 108 14.135 -7.049 -3.906 1.00 0.00 H new