USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=12 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 70 CYS SG : rot 80:sc= -1.3 USER MOD Set 1.2: A 106 THR OG1 : rot 110:sc= 1.17 USER MOD Set 2.1: A 59 TYR OH : rot -124:sc= 0.0819 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 171:sc= 0.00497 (180deg=-0.141) USER MOD Single : A 31 ASN : amide:sc= -1.69 K(o=-1.7,f=-0.15) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 93:sc= 1.08 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 80:sc= -1.04 USER MOD Single : A 50 GLN : amide:sc= -0.632 K(o=-0.63,f=-5.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 71 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-0.98) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0973 X(o=-0.097,f=0.18) USER MOD Single : A 80 GLN : amide:sc= -0.665 K(o=-0.67,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.015) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 6:sc= -0.96 USER MOD Single : A 104 TYR OH : 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 -13.637 5.563 -0.587 1.00 0.00 N ATOM 359 CA PRO A 29 -13.087 4.409 -1.307 1.00 0.00 C ATOM 360 C PRO A 29 -13.512 4.384 -2.771 1.00 0.00 C ATOM 361 O PRO A 29 -14.535 4.962 -3.142 1.00 0.00 O ATOM 362 CB PRO A 29 -13.677 3.211 -0.558 1.00 0.00 C ATOM 363 CG PRO A 29 -14.931 3.728 0.057 1.00 0.00 C ATOM 364 CD PRO A 29 -14.664 5.170 0.391 1.00 0.00 C ATOM 0 HA PRO A 29 -11.997 4.422 -1.328 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.881 2.382 -1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.988 2.840 0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.770 3.636 -0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.189 3.161 0.952 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.564 5.778 0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.309 5.286 1.415 1.00 0.00 H new ATOM 372 N LEU A 30 -12.721 3.712 -3.600 1.00 0.00 N ATOM 373 CA LEU A 30 -13.015 3.611 -5.025 1.00 0.00 C ATOM 374 C LEU A 30 -14.211 2.697 -5.271 1.00 0.00 C ATOM 375 O LEU A 30 -14.187 1.519 -4.918 1.00 0.00 O ATOM 376 CB LEU A 30 -11.793 3.086 -5.782 1.00 0.00 C ATOM 377 CG LEU A 30 -11.733 3.421 -7.273 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.308 3.296 -7.790 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.670 2.518 -8.061 1.00 0.00 C ATOM 0 H LEU A 30 -11.871 3.229 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.261 4.608 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.897 3.482 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.760 2.002 -5.672 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.058 4.453 -7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.284 3.538 -8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.662 3.985 -7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.956 2.275 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.614 2.771 -9.120 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.376 1.478 -7.920 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.692 2.658 -7.708 1.00 0.00 H new ATOM 391 N ASN A 31 -15.256 3.249 -5.879 1.00 0.00 N ATOM 392 CA ASN A 31 -16.461 2.483 -6.174 1.00 0.00 C ATOM 393 C ASN A 31 -16.137 1.271 -7.041 1.00 0.00 C ATOM 394 O ASN A 31 -16.147 1.352 -8.270 1.00 0.00 O ATOM 395 CB ASN A 31 -17.493 3.367 -6.878 1.00 0.00 C ATOM 396 CG ASN A 31 -18.688 2.576 -7.376 1.00 0.00 C ATOM 397 OD1 ASN A 31 -18.614 1.899 -8.401 1.00 0.00 O ATOM 398 ND2 ASN A 31 -19.796 2.660 -6.650 1.00 0.00 N ATOM 0 H ASN A 31 -15.292 4.224 -6.177 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.877 2.131 -5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -17.834 4.141 -6.190 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.020 3.874 -7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -20.632 2.151 -6.935 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -19.811 3.234 -5.807 1.00 0.00 H new ATOM 405 N LEU A 32 -15.851 0.146 -6.394 1.00 0.00 N ATOM 406 CA LEU A 32 -15.524 -1.084 -7.106 1.00 0.00 C ATOM 407 C LEU A 32 -16.726 -1.593 -7.894 1.00 0.00 C ATOM 408 O LEU A 32 -16.627 -1.872 -9.089 1.00 0.00 O ATOM 409 CB LEU A 32 -15.054 -2.157 -6.121 1.00 0.00 C ATOM 410 CG LEU A 32 -13.950 -1.738 -5.149 1.00 0.00 C ATOM 411 CD1 LEU A 32 -13.744 -2.804 -4.084 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.653 -1.471 -5.898 1.00 0.00 C ATOM 0 H LEU A 32 -15.839 0.061 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.719 -0.866 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.914 -2.491 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.701 -3.016 -6.692 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.257 -0.816 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.955 -2.489 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.670 -2.946 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.459 -3.743 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.879 -1.174 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.341 -2.376 -6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.809 -0.671 -6.622 1.00 0.00 H new ATOM 424 N THR A 33 -17.865 -1.711 -7.217 1.00 0.00 N ATOM 425 CA THR A 33 -19.087 -2.185 -7.853 1.00 0.00 C ATOM 426 C THR A 33 -19.238 -1.605 -9.255 1.00 0.00 C ATOM 427 O THR A 33 -19.593 -0.439 -9.420 1.00 0.00 O ATOM 428 CB THR A 33 -20.331 -1.818 -7.022 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.516 -2.270 -7.688 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.410 -0.316 -6.800 1.00 0.00 C ATOM 0 H THR A 33 -17.965 -1.484 -6.228 1.00 0.00 H new ATOM 0 HA THR A 33 -19.009 -3.270 -7.918 1.00 0.00 H new ATOM 0 HB THR A 33 -20.250 -2.309 -6.052 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.302 -2.034 -7.153 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.297 -0.081 -6.211 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.521 0.020 -6.267 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.469 0.191 -7.763 1.00 0.00 H new ATOM 438 N GLY A 34 -18.966 -2.429 -10.263 1.00 0.00 N ATOM 439 CA GLY A 34 -19.077 -1.979 -11.638 1.00 0.00 C ATOM 440 C GLY A 34 -17.806 -2.214 -12.430 1.00 0.00 C ATOM 441 O GLY A 34 -17.848 -2.738 -13.544 1.00 0.00 O ATOM 0 H GLY A 34 -18.671 -3.399 -10.152 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.904 -2.499 -12.121 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.318 -0.916 -11.651 1.00 0.00 H new ATOM 445 N LEU A 35 -16.673 -1.825 -11.856 1.00 0.00 N ATOM 446 CA LEU A 35 -15.384 -1.995 -12.516 1.00 0.00 C ATOM 447 C LEU A 35 -15.156 -3.453 -12.901 1.00 0.00 C ATOM 448 O LEU A 35 -15.538 -4.377 -12.182 1.00 0.00 O ATOM 449 CB LEU A 35 -14.254 -1.514 -11.603 1.00 0.00 C ATOM 450 CG LEU A 35 -14.067 0.000 -11.507 1.00 0.00 C ATOM 451 CD1 LEU A 35 -13.253 0.360 -10.274 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.398 0.536 -12.765 1.00 0.00 C ATOM 0 H LEU A 35 -16.621 -1.390 -10.935 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.388 -1.395 -13.426 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.434 -1.902 -10.600 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.320 -1.954 -11.952 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.050 0.463 -11.417 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.130 1.442 -10.222 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.771 0.011 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.273 -0.114 -10.334 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.273 1.615 -12.679 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.422 0.066 -12.886 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.019 0.311 -13.632 1.00 0.00 H new ATOM 464 N PRO A 36 -14.518 -3.667 -14.062 1.00 0.00 N ATOM 465 CA PRO A 36 -14.223 -5.011 -14.567 1.00 0.00 C ATOM 466 C PRO A 36 -13.159 -5.721 -13.738 1.00 0.00 C ATOM 467 O PRO A 36 -12.115 -5.148 -13.428 1.00 0.00 O ATOM 468 CB PRO A 36 -13.711 -4.751 -15.986 1.00 0.00 C ATOM 469 CG PRO A 36 -13.174 -3.362 -15.947 1.00 0.00 C ATOM 470 CD PRO A 36 -14.035 -2.612 -14.969 1.00 0.00 C ATOM 0 HA PRO A 36 -15.096 -5.663 -14.527 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.938 -5.467 -16.265 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.512 -4.845 -16.719 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.130 -3.356 -15.633 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.212 -2.901 -16.934 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.467 -1.851 -14.434 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.859 -2.102 -15.468 1.00 0.00 H new ATOM 478 N GLY A 37 -13.430 -6.973 -13.382 1.00 0.00 N ATOM 479 CA GLY A 37 -12.485 -7.741 -12.592 1.00 0.00 C ATOM 480 C GLY A 37 -12.932 -7.907 -11.153 1.00 0.00 C ATOM 481 O GLY A 37 -12.443 -8.784 -10.440 1.00 0.00 O ATOM 0 H GLY A 37 -14.287 -7.469 -13.627 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.353 -8.724 -13.044 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.513 -7.248 -12.613 1.00 0.00 H new ATOM 485 N THR A 38 -13.864 -7.062 -10.723 1.00 0.00 N ATOM 486 CA THR A 38 -14.375 -7.117 -9.360 1.00 0.00 C ATOM 487 C THR A 38 -14.876 -8.515 -9.016 1.00 0.00 C ATOM 488 O THR A 38 -14.881 -8.914 -7.852 1.00 0.00 O ATOM 489 CB THR A 38 -15.519 -6.108 -9.147 1.00 0.00 C ATOM 490 OG1 THR A 38 -15.182 -4.852 -9.747 1.00 0.00 O ATOM 491 CG2 THR A 38 -15.797 -5.909 -7.665 1.00 0.00 C ATOM 0 H THR A 38 -14.280 -6.331 -11.300 1.00 0.00 H new ATOM 0 HA THR A 38 -13.545 -6.859 -8.702 1.00 0.00 H new ATOM 0 HB THR A 38 -16.417 -6.506 -9.618 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.528 -4.824 -10.663 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.609 -5.192 -7.540 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.082 -6.861 -7.217 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.900 -5.531 -7.174 1.00 0.00 H new ATOM 499 N GLU A 39 -15.297 -9.255 -10.038 1.00 0.00 N ATOM 500 CA GLU A 39 -15.800 -10.610 -9.842 1.00 0.00 C ATOM 501 C GLU A 39 -14.663 -11.626 -9.898 1.00 0.00 C ATOM 502 O GLU A 39 -14.825 -12.779 -9.498 1.00 0.00 O ATOM 503 CB GLU A 39 -16.852 -10.945 -10.902 1.00 0.00 C ATOM 504 CG GLU A 39 -16.268 -11.545 -12.170 1.00 0.00 C ATOM 505 CD GLU A 39 -17.336 -12.023 -13.134 1.00 0.00 C ATOM 506 OE1 GLU A 39 -17.867 -11.185 -13.893 1.00 0.00 O ATOM 507 OE2 GLU A 39 -17.641 -13.234 -13.131 1.00 0.00 O ATOM 0 H GLU A 39 -15.300 -8.940 -11.008 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.260 -10.661 -8.855 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.573 -11.644 -10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.400 -10.038 -11.158 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.643 -10.802 -12.665 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.620 -12.381 -11.907 1.00 0.00 H new ATOM 514 N LYS A 40 -13.512 -11.190 -10.399 1.00 0.00 N ATOM 515 CA LYS A 40 -12.347 -12.059 -10.508 1.00 0.00 C ATOM 516 C LYS A 40 -11.659 -12.221 -9.156 1.00 0.00 C ATOM 517 O LYS A 40 -11.472 -13.338 -8.673 1.00 0.00 O ATOM 518 CB LYS A 40 -11.358 -11.495 -11.531 1.00 0.00 C ATOM 519 CG LYS A 40 -11.862 -11.555 -12.962 1.00 0.00 C ATOM 520 CD LYS A 40 -10.715 -11.536 -13.959 1.00 0.00 C ATOM 521 CE LYS A 40 -10.251 -12.943 -14.302 1.00 0.00 C ATOM 522 NZ LYS A 40 -8.885 -12.948 -14.895 1.00 0.00 N ATOM 0 H LYS A 40 -13.361 -10.239 -10.736 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.687 -13.039 -10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.136 -10.459 -11.276 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.421 -12.048 -11.461 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.453 -12.460 -13.103 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.524 -10.710 -13.151 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.030 -11.024 -14.868 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.882 -10.968 -13.546 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.258 -13.557 -13.402 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.953 -13.396 -15.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.605 -13.925 -15.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.883 -12.383 -15.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.211 -12.539 -14.217 1.00 0.00 H new ATOM 536 N LEU A 41 -11.287 -11.099 -8.549 1.00 0.00 N ATOM 537 CA LEU A 41 -10.621 -11.116 -7.251 1.00 0.00 C ATOM 538 C LEU A 41 -11.638 -11.235 -6.120 1.00 0.00 C ATOM 539 O LEU A 41 -12.845 -11.222 -6.354 1.00 0.00 O ATOM 540 CB LEU A 41 -9.784 -9.849 -7.069 1.00 0.00 C ATOM 541 CG LEU A 41 -10.315 -8.589 -7.753 1.00 0.00 C ATOM 542 CD1 LEU A 41 -11.783 -8.378 -7.418 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.492 -7.375 -7.347 1.00 0.00 C ATOM 0 H LEU A 41 -11.435 -10.166 -8.935 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.964 -11.985 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.693 -9.648 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.779 -10.045 -7.443 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.226 -8.719 -8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.143 -7.477 -7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.361 -9.236 -7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.898 -8.270 -6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.884 -6.487 -7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.549 -7.242 -6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.453 -7.525 -7.640 1.00 0.00 H new ATOM 555 N ASN A 42 -11.139 -11.348 -4.893 1.00 0.00 N ATOM 556 CA ASN A 42 -12.004 -11.467 -3.725 1.00 0.00 C ATOM 557 C ASN A 42 -11.906 -10.223 -2.847 1.00 0.00 C ATOM 558 O ASN A 42 -11.173 -9.286 -3.161 1.00 0.00 O ATOM 559 CB ASN A 42 -11.631 -12.709 -2.913 1.00 0.00 C ATOM 560 CG ASN A 42 -11.756 -13.987 -3.720 1.00 0.00 C ATOM 561 OD1 ASN A 42 -12.810 -14.274 -4.288 1.00 0.00 O ATOM 562 ND2 ASN A 42 -10.678 -14.761 -3.774 1.00 0.00 N ATOM 0 H ASN A 42 -10.141 -11.360 -4.682 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.032 -11.564 -4.073 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.607 -12.609 -2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.274 -12.772 -2.035 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.702 -15.633 -4.302 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.826 -14.483 -3.287 1.00 0.00 H new ATOM 569 N GLU A 43 -12.650 -10.223 -1.745 1.00 0.00 N ATOM 570 CA GLU A 43 -12.646 -9.095 -0.822 1.00 0.00 C ATOM 571 C GLU A 43 -11.224 -8.748 -0.391 1.00 0.00 C ATOM 572 O GLU A 43 -10.888 -7.579 -0.199 1.00 0.00 O ATOM 573 CB GLU A 43 -13.501 -9.410 0.408 1.00 0.00 C ATOM 574 CG GLU A 43 -13.178 -10.752 1.045 1.00 0.00 C ATOM 575 CD GLU A 43 -13.627 -10.834 2.491 1.00 0.00 C ATOM 576 OE1 GLU A 43 -13.343 -9.888 3.256 1.00 0.00 O ATOM 577 OE2 GLU A 43 -14.262 -11.844 2.858 1.00 0.00 O ATOM 0 H GLU A 43 -13.262 -10.991 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.070 -8.235 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.362 -8.623 1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.553 -9.396 0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.658 -11.546 0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.103 -10.926 0.992 1.00 0.00 H new ATOM 584 N LYS A 44 -10.392 -9.773 -0.241 1.00 0.00 N ATOM 585 CA LYS A 44 -9.005 -9.579 0.166 1.00 0.00 C ATOM 586 C LYS A 44 -8.332 -8.509 -0.687 1.00 0.00 C ATOM 587 O LYS A 44 -7.690 -7.599 -0.164 1.00 0.00 O ATOM 588 CB LYS A 44 -8.231 -10.895 0.057 1.00 0.00 C ATOM 589 CG LYS A 44 -8.353 -11.777 1.288 1.00 0.00 C ATOM 590 CD LYS A 44 -7.281 -12.854 1.311 1.00 0.00 C ATOM 591 CE LYS A 44 -7.670 -14.045 0.450 1.00 0.00 C ATOM 592 NZ LYS A 44 -6.583 -15.062 0.387 1.00 0.00 N ATOM 0 H LYS A 44 -10.654 -10.747 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.000 -9.247 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.590 -11.447 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.178 -10.674 -0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.273 -11.164 2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.338 -12.243 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.338 -12.438 0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.117 -13.183 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.574 -14.504 0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.906 -13.703 -0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.887 -15.858 -0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.728 -14.631 -0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.375 -15.407 1.346 1.00 0.00 H new ATOM 606 N GLU A 45 -8.484 -8.625 -2.003 1.00 0.00 N ATOM 607 CA GLU A 45 -7.890 -7.666 -2.927 1.00 0.00 C ATOM 608 C GLU A 45 -8.761 -6.420 -3.051 1.00 0.00 C ATOM 609 O GLU A 45 -8.271 -5.294 -2.962 1.00 0.00 O ATOM 610 CB GLU A 45 -7.695 -8.305 -4.304 1.00 0.00 C ATOM 611 CG GLU A 45 -6.949 -9.628 -4.261 1.00 0.00 C ATOM 612 CD GLU A 45 -7.876 -10.816 -4.101 1.00 0.00 C ATOM 613 OE1 GLU A 45 -8.387 -11.023 -2.980 1.00 0.00 O ATOM 614 OE2 GLU A 45 -8.092 -11.540 -5.095 1.00 0.00 O ATOM 0 H GLU A 45 -9.013 -9.373 -2.452 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.918 -7.371 -2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.671 -8.463 -4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.150 -7.611 -4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.370 -9.744 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.238 -9.613 -3.435 1.00 0.00 H new ATOM 621 N LYS A 46 -10.057 -6.629 -3.259 1.00 0.00 N ATOM 622 CA LYS A 46 -10.999 -5.524 -3.395 1.00 0.00 C ATOM 623 C LYS A 46 -10.671 -4.405 -2.411 1.00 0.00 C ATOM 624 O LYS A 46 -10.667 -3.230 -2.773 1.00 0.00 O ATOM 625 CB LYS A 46 -12.430 -6.016 -3.167 1.00 0.00 C ATOM 626 CG LYS A 46 -12.940 -6.934 -4.264 1.00 0.00 C ATOM 627 CD LYS A 46 -14.301 -7.513 -3.918 1.00 0.00 C ATOM 628 CE LYS A 46 -15.402 -6.473 -4.060 1.00 0.00 C ATOM 629 NZ LYS A 46 -16.686 -6.941 -3.468 1.00 0.00 N ATOM 0 H LYS A 46 -10.479 -7.554 -3.337 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.914 -5.129 -4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.477 -6.542 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.093 -5.155 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.006 -6.381 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.228 -7.744 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.513 -8.360 -4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.287 -7.892 -2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.093 -5.548 -3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.551 -6.243 -5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.411 -6.205 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.994 -7.810 -3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.551 -7.136 -2.455 1.00 0.00 H new ATOM 643 N GLU A 47 -10.396 -4.781 -1.165 1.00 0.00 N ATOM 644 CA GLU A 47 -10.066 -3.808 -0.131 1.00 0.00 C ATOM 645 C GLU A 47 -8.928 -2.897 -0.582 1.00 0.00 C ATOM 646 O GLU A 47 -8.987 -1.678 -0.410 1.00 0.00 O ATOM 647 CB GLU A 47 -9.679 -4.521 1.166 1.00 0.00 C ATOM 648 CG GLU A 47 -8.785 -3.692 2.073 1.00 0.00 C ATOM 649 CD GLU A 47 -7.312 -3.867 1.758 1.00 0.00 C ATOM 650 OE1 GLU A 47 -6.979 -4.774 0.966 1.00 0.00 O ATOM 651 OE2 GLU A 47 -6.493 -3.097 2.302 1.00 0.00 O ATOM 0 H GLU A 47 -10.395 -5.751 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.949 -3.195 0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.586 -4.787 1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.169 -5.453 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.051 -2.639 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.967 -3.972 3.111 1.00 0.00 H new ATOM 658 N LEU A 48 -7.893 -3.496 -1.160 1.00 0.00 N ATOM 659 CA LEU A 48 -6.740 -2.740 -1.637 1.00 0.00 C ATOM 660 C LEU A 48 -7.151 -1.743 -2.716 1.00 0.00 C ATOM 661 O LEU A 48 -6.616 -0.635 -2.787 1.00 0.00 O ATOM 662 CB LEU A 48 -5.673 -3.690 -2.185 1.00 0.00 C ATOM 663 CG LEU A 48 -4.696 -4.265 -1.158 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.744 -5.248 -1.821 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.922 -3.147 -0.475 1.00 0.00 C ATOM 0 H LEU A 48 -7.828 -4.503 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.326 -2.186 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.175 -4.519 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.100 -3.160 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.267 -4.800 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.056 -5.647 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.314 -6.065 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.178 -4.737 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.232 -3.574 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.361 -2.585 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.618 -2.480 0.034 1.00 0.00 H new ATOM 677 N CYS A 49 -8.104 -2.141 -3.550 1.00 0.00 N ATOM 678 CA CYS A 49 -8.588 -1.282 -4.625 1.00 0.00 C ATOM 679 C CYS A 49 -9.198 -0.001 -4.064 1.00 0.00 C ATOM 680 O CYS A 49 -9.204 1.036 -4.726 1.00 0.00 O ATOM 681 CB CYS A 49 -9.622 -2.024 -5.473 1.00 0.00 C ATOM 682 SG CYS A 49 -9.004 -3.550 -6.221 1.00 0.00 S ATOM 0 H CYS A 49 -8.557 -3.053 -3.503 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.738 -1.014 -5.253 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.485 -2.261 -4.850 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.972 -1.360 -6.264 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.017 -4.503 -5.337 1.00 0.00 H new ATOM 688 N GLN A 50 -9.711 -0.083 -2.840 1.00 0.00 N ATOM 689 CA GLN A 50 -10.325 1.069 -2.192 1.00 0.00 C ATOM 690 C GLN A 50 -9.293 1.861 -1.396 1.00 0.00 C ATOM 691 O GLN A 50 -8.996 3.012 -1.715 1.00 0.00 O ATOM 692 CB GLN A 50 -11.460 0.618 -1.271 1.00 0.00 C ATOM 693 CG GLN A 50 -12.435 -0.342 -1.933 1.00 0.00 C ATOM 694 CD GLN A 50 -13.623 -0.670 -1.049 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.425 0.204 -0.718 1.00 0.00 O ATOM 696 NE2 GLN A 50 -13.742 -1.934 -0.662 1.00 0.00 N ATOM 0 H GLN A 50 -9.713 -0.934 -2.278 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.732 1.716 -2.969 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.033 0.139 -0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.006 1.495 -0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.791 0.094 -2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.913 -1.264 -2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.054 -2.626 -0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.521 -2.214 -0.067 1.00 0.00 H new ATOM 705 N VAL A 51 -8.748 1.236 -0.356 1.00 0.00 N ATOM 706 CA VAL A 51 -7.748 1.881 0.486 1.00 0.00 C ATOM 707 C VAL A 51 -6.652 2.523 -0.357 1.00 0.00 C ATOM 708 O VAL A 51 -6.094 3.556 0.013 1.00 0.00 O ATOM 709 CB VAL A 51 -7.108 0.879 1.465 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.333 -0.188 0.707 1.00 0.00 C ATOM 711 CG2 VAL A 51 -6.206 1.604 2.453 1.00 0.00 C ATOM 0 H VAL A 51 -8.983 0.283 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.264 2.654 1.055 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.903 0.387 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.888 -0.887 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.009 -0.726 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.545 0.283 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.762 0.882 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.416 2.124 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.793 2.327 3.019 1.00 0.00 H new ATOM 721 N VAL A 52 -6.347 1.904 -1.493 1.00 0.00 N ATOM 722 CA VAL A 52 -5.318 2.415 -2.390 1.00 0.00 C ATOM 723 C VAL A 52 -5.935 3.185 -3.552 1.00 0.00 C ATOM 724 O VAL A 52 -5.236 3.874 -4.295 1.00 0.00 O ATOM 725 CB VAL A 52 -4.445 1.276 -2.950 1.00 0.00 C ATOM 726 CG1 VAL A 52 -3.177 1.835 -3.578 1.00 0.00 C ATOM 727 CG2 VAL A 52 -4.110 0.275 -1.855 1.00 0.00 C ATOM 0 H VAL A 52 -6.798 1.047 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.692 3.088 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.008 0.757 -3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.573 1.016 -3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.441 2.511 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.607 2.379 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.493 -0.523 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.566 0.778 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.031 -0.149 -1.455 1.00 0.00 H new ATOM 737 N ARG A 53 -7.250 3.064 -3.703 1.00 0.00 N ATOM 738 CA ARG A 53 -7.962 3.748 -4.776 1.00 0.00 C ATOM 739 C ARG A 53 -7.449 3.301 -6.141 1.00 0.00 C ATOM 740 O ARG A 53 -7.208 4.123 -7.026 1.00 0.00 O ATOM 741 CB ARG A 53 -7.809 5.263 -4.633 1.00 0.00 C ATOM 742 CG ARG A 53 -7.962 5.759 -3.204 1.00 0.00 C ATOM 743 CD ARG A 53 -7.195 7.053 -2.978 1.00 0.00 C ATOM 744 NE ARG A 53 -5.811 6.806 -2.581 1.00 0.00 N ATOM 745 CZ ARG A 53 -4.953 7.771 -2.270 1.00 0.00 C ATOM 746 NH1 ARG A 53 -5.335 9.040 -2.308 1.00 0.00 N ATOM 747 NH2 ARG A 53 -3.710 7.467 -1.918 1.00 0.00 N ATOM 0 H ARG A 53 -7.844 2.499 -3.096 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.018 3.487 -4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.829 5.558 -5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.551 5.755 -5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.018 5.917 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.603 4.997 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.210 7.647 -3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.694 7.640 -2.207 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.486 5.840 -2.540 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.290 9.277 -2.577 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.674 9.779 -2.069 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.413 6.492 -1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.052 8.209 -1.679 1.00 0.00 H new ATOM 761 N LEU A 54 -7.284 1.993 -6.306 1.00 0.00 N ATOM 762 CA LEU A 54 -6.799 1.435 -7.563 1.00 0.00 C ATOM 763 C LEU A 54 -7.848 0.527 -8.197 1.00 0.00 C ATOM 764 O LEU A 54 -8.649 -0.095 -7.499 1.00 0.00 O ATOM 765 CB LEU A 54 -5.504 0.654 -7.332 1.00 0.00 C ATOM 766 CG LEU A 54 -5.055 -0.255 -8.477 1.00 0.00 C ATOM 767 CD1 LEU A 54 -4.396 0.561 -9.578 1.00 0.00 C ATOM 768 CD2 LEU A 54 -4.105 -1.328 -7.964 1.00 0.00 C ATOM 0 H LEU A 54 -7.479 1.299 -5.584 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.600 2.261 -8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.705 1.367 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.626 0.044 -6.437 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.935 -0.746 -8.893 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.083 -0.102 -10.384 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.107 1.292 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.526 1.079 -9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.795 -1.966 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.228 -0.856 -7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.611 -1.932 -7.210 1.00 0.00 H new ATOM 780 N VAL A 55 -7.836 0.453 -9.524 1.00 0.00 N ATOM 781 CA VAL A 55 -8.784 -0.382 -10.252 1.00 0.00 C ATOM 782 C VAL A 55 -8.481 -1.862 -10.050 1.00 0.00 C ATOM 783 O VAL A 55 -7.334 -2.303 -10.131 1.00 0.00 O ATOM 784 CB VAL A 55 -8.766 -0.067 -11.760 1.00 0.00 C ATOM 785 CG1 VAL A 55 -9.690 -1.011 -12.513 1.00 0.00 C ATOM 786 CG2 VAL A 55 -9.156 1.383 -12.006 1.00 0.00 C ATOM 0 H VAL A 55 -7.180 0.961 -10.117 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.774 -0.159 -9.853 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.752 -0.215 -12.133 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.664 -0.774 -13.577 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.361 -2.039 -12.363 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.708 -0.898 -12.140 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.138 1.588 -13.076 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.160 1.560 -11.619 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.450 2.041 -11.499 1.00 0.00 H new ATOM 796 N PRO A 56 -9.532 -2.649 -9.779 1.00 0.00 N ATOM 797 CA PRO A 56 -9.404 -4.093 -9.560 1.00 0.00 C ATOM 798 C PRO A 56 -9.046 -4.844 -10.838 1.00 0.00 C ATOM 799 O PRO A 56 -8.218 -5.754 -10.824 1.00 0.00 O ATOM 800 CB PRO A 56 -10.796 -4.502 -9.072 1.00 0.00 C ATOM 801 CG PRO A 56 -11.713 -3.472 -9.635 1.00 0.00 C ATOM 802 CD PRO A 56 -10.927 -2.191 -9.667 1.00 0.00 C ATOM 0 HA PRO A 56 -8.604 -4.329 -8.858 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.060 -5.500 -9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.844 -4.522 -7.983 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.046 -3.751 -10.635 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.606 -3.366 -9.019 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.213 -1.565 -10.512 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.085 -1.600 -8.765 1.00 0.00 H new ATOM 810 N GLY A 57 -9.676 -4.456 -11.943 1.00 0.00 N ATOM 811 CA GLY A 57 -9.410 -5.103 -13.215 1.00 0.00 C ATOM 812 C GLY A 57 -7.959 -4.979 -13.636 1.00 0.00 C ATOM 813 O GLY A 57 -7.457 -5.797 -14.406 1.00 0.00 O ATOM 0 H GLY A 57 -10.366 -3.705 -11.980 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.676 -6.158 -13.145 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.047 -4.664 -13.983 1.00 0.00 H new ATOM 817 N ALA A 58 -7.284 -3.951 -13.131 1.00 0.00 N ATOM 818 CA ALA A 58 -5.882 -3.723 -13.460 1.00 0.00 C ATOM 819 C ALA A 58 -4.964 -4.363 -12.424 1.00 0.00 C ATOM 820 O ALA A 58 -3.951 -4.971 -12.769 1.00 0.00 O ATOM 821 CB ALA A 58 -5.602 -2.231 -13.566 1.00 0.00 C ATOM 0 H ALA A 58 -7.685 -3.264 -12.493 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.679 -4.190 -14.424 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.552 -2.074 -13.812 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.226 -1.798 -14.348 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.827 -1.750 -12.614 1.00 0.00 H new ATOM 827 N TYR A 59 -5.325 -4.221 -11.153 1.00 0.00 N ATOM 828 CA TYR A 59 -4.531 -4.783 -10.067 1.00 0.00 C ATOM 829 C TYR A 59 -4.163 -6.235 -10.356 1.00 0.00 C ATOM 830 O TYR A 59 -3.131 -6.729 -9.899 1.00 0.00 O ATOM 831 CB TYR A 59 -5.300 -4.693 -8.747 1.00 0.00 C ATOM 832 CG TYR A 59 -4.831 -5.684 -7.705 1.00 0.00 C ATOM 833 CD1 TYR A 59 -5.310 -6.988 -7.693 1.00 0.00 C ATOM 834 CD2 TYR A 59 -3.909 -5.315 -6.733 1.00 0.00 C ATOM 835 CE1 TYR A 59 -4.885 -7.896 -6.742 1.00 0.00 C ATOM 836 CE2 TYR A 59 -3.477 -6.217 -5.780 1.00 0.00 C ATOM 837 CZ TYR A 59 -3.969 -7.506 -5.788 1.00 0.00 C ATOM 838 OH TYR A 59 -3.542 -8.408 -4.840 1.00 0.00 O ATOM 0 H TYR A 59 -6.161 -3.722 -10.850 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.611 -4.204 -9.985 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.202 -3.684 -8.347 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.360 -4.857 -8.942 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.027 -7.297 -8.439 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.524 -4.306 -6.722 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.268 -8.906 -6.746 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.758 -5.915 -5.033 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.705 -8.044 -3.945 1.00 0.00 H new ATOM 848 N LEU A 60 -5.014 -6.914 -11.117 1.00 0.00 N ATOM 849 CA LEU A 60 -4.779 -8.310 -11.469 1.00 0.00 C ATOM 850 C LEU A 60 -3.693 -8.428 -12.534 1.00 0.00 C ATOM 851 O LEU A 60 -2.864 -9.336 -12.490 1.00 0.00 O ATOM 852 CB LEU A 60 -6.073 -8.955 -11.970 1.00 0.00 C ATOM 853 CG LEU A 60 -7.299 -8.784 -11.073 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.576 -9.027 -11.862 1.00 0.00 C ATOM 855 CD2 LEU A 60 -7.221 -9.723 -9.878 1.00 0.00 C ATOM 0 H LEU A 60 -5.873 -6.521 -11.502 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.442 -8.833 -10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.305 -8.541 -12.951 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.894 -10.021 -12.108 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.315 -7.759 -10.703 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.438 -8.901 -11.207 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.637 -8.314 -12.684 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.569 -10.041 -12.262 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.102 -9.587 -9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.180 -10.755 -10.228 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.325 -9.501 -9.298 1.00 0.00 H new ATOM 867 N GLU A 61 -3.704 -7.503 -13.488 1.00 0.00 N ATOM 868 CA GLU A 61 -2.719 -7.503 -14.563 1.00 0.00 C ATOM 869 C GLU A 61 -1.306 -7.359 -14.006 1.00 0.00 C ATOM 870 O GLU A 61 -0.337 -7.813 -14.615 1.00 0.00 O ATOM 871 CB GLU A 61 -3.008 -6.370 -15.550 1.00 0.00 C ATOM 872 CG GLU A 61 -3.989 -6.752 -16.645 1.00 0.00 C ATOM 873 CD GLU A 61 -4.615 -5.544 -17.315 1.00 0.00 C ATOM 874 OE1 GLU A 61 -3.991 -4.462 -17.288 1.00 0.00 O ATOM 875 OE2 GLU A 61 -5.727 -5.680 -17.866 1.00 0.00 O ATOM 0 H GLU A 61 -4.384 -6.744 -13.539 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.790 -8.457 -15.086 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.403 -5.514 -15.002 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.072 -6.051 -16.008 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.475 -7.353 -17.395 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.776 -7.376 -16.221 1.00 0.00 H new ATOM 882 N TYR A 62 -1.196 -6.724 -12.844 1.00 0.00 N ATOM 883 CA TYR A 62 0.098 -6.517 -12.205 1.00 0.00 C ATOM 884 C TYR A 62 0.568 -7.787 -11.502 1.00 0.00 C ATOM 885 O TYR A 62 1.756 -8.110 -11.505 1.00 0.00 O ATOM 886 CB TYR A 62 0.016 -5.366 -11.202 1.00 0.00 C ATOM 887 CG TYR A 62 -0.628 -4.118 -11.762 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.621 -3.862 -13.128 1.00 0.00 C ATOM 889 CD2 TYR A 62 -1.244 -3.195 -10.926 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.207 -2.724 -13.645 1.00 0.00 C ATOM 891 CE2 TYR A 62 -1.835 -2.054 -11.434 1.00 0.00 C ATOM 892 CZ TYR A 62 -1.813 -1.823 -12.794 1.00 0.00 C ATOM 893 OH TYR A 62 -2.400 -0.687 -13.305 1.00 0.00 O ATOM 0 H TYR A 62 -1.988 -6.344 -12.326 1.00 0.00 H new ATOM 0 HA TYR A 62 0.821 -6.264 -12.980 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.548 -5.695 -10.329 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.021 -5.123 -10.858 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.149 -4.566 -13.797 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.261 -3.372 -9.861 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.191 -2.540 -14.709 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.311 -1.347 -10.771 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.783 -0.159 -12.573 1.00 0.00 H new ATOM 903 N LYS A 63 -0.374 -8.505 -10.900 1.00 0.00 N ATOM 904 CA LYS A 63 -0.060 -9.742 -10.194 1.00 0.00 C ATOM 905 C LYS A 63 0.829 -10.644 -11.045 1.00 0.00 C ATOM 906 O LYS A 63 1.886 -11.088 -10.598 1.00 0.00 O ATOM 907 CB LYS A 63 -1.347 -10.481 -9.821 1.00 0.00 C ATOM 908 CG LYS A 63 -2.271 -9.678 -8.922 1.00 0.00 C ATOM 909 CD LYS A 63 -1.971 -9.922 -7.453 1.00 0.00 C ATOM 910 CE LYS A 63 -2.591 -11.223 -6.966 1.00 0.00 C ATOM 911 NZ LYS A 63 -2.358 -11.438 -5.511 1.00 0.00 N ATOM 0 H LYS A 63 -1.362 -8.251 -10.887 1.00 0.00 H new ATOM 0 HA LYS A 63 0.481 -9.484 -9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.881 -10.746 -10.733 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.088 -11.414 -9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.164 -8.616 -9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.307 -9.945 -9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.892 -9.953 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.353 -9.091 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.663 -11.211 -7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.172 -12.058 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.920 -12.250 -5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.349 -11.627 -5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.642 -10.587 -4.985 1.00 0.00 H new ATOM 925 N SER A 64 0.393 -10.909 -12.272 1.00 0.00 N ATOM 926 CA SER A 64 1.148 -11.760 -13.184 1.00 0.00 C ATOM 927 C SER A 64 2.575 -11.246 -13.350 1.00 0.00 C ATOM 928 O SER A 64 3.536 -12.006 -13.242 1.00 0.00 O ATOM 929 CB SER A 64 0.455 -11.824 -14.547 1.00 0.00 C ATOM 930 OG SER A 64 -0.700 -12.643 -14.493 1.00 0.00 O ATOM 0 H SER A 64 -0.479 -10.547 -12.658 1.00 0.00 H new ATOM 0 HA SER A 64 1.188 -12.762 -12.757 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.178 -10.819 -14.865 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.147 -12.215 -15.293 1.00 0.00 H new ATOM 0 HG SER A 64 -1.126 -12.666 -15.375 1.00 0.00 H new ATOM 936 N ALA A 65 2.703 -9.950 -13.614 1.00 0.00 N ATOM 937 CA ALA A 65 4.012 -9.333 -13.793 1.00 0.00 C ATOM 938 C ALA A 65 4.855 -9.456 -12.529 1.00 0.00 C ATOM 939 O ALA A 65 5.873 -10.149 -12.514 1.00 0.00 O ATOM 940 CB ALA A 65 3.857 -7.871 -14.186 1.00 0.00 C ATOM 0 H ALA A 65 1.917 -9.307 -13.709 1.00 0.00 H new ATOM 0 HA ALA A 65 4.528 -9.861 -14.595 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.842 -7.423 -14.316 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.301 -7.803 -15.121 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.317 -7.339 -13.403 1.00 0.00 H new ATOM 946 N LEU A 66 4.426 -8.780 -11.469 1.00 0.00 N ATOM 947 CA LEU A 66 5.142 -8.814 -10.198 1.00 0.00 C ATOM 948 C LEU A 66 5.624 -10.226 -9.882 1.00 0.00 C ATOM 949 O LEU A 66 6.763 -10.424 -9.457 1.00 0.00 O ATOM 950 CB LEU A 66 4.243 -8.305 -9.070 1.00 0.00 C ATOM 951 CG LEU A 66 4.018 -6.794 -9.020 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.532 -6.371 -7.642 1.00 0.00 C ATOM 953 CD2 LEU A 66 5.296 -6.052 -9.388 1.00 0.00 C ATOM 0 H LEU A 66 3.586 -8.202 -11.464 1.00 0.00 H new ATOM 0 HA LEU A 66 6.013 -8.163 -10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.273 -8.794 -9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.674 -8.619 -8.119 1.00 0.00 H new ATOM 0 HG LEU A 66 3.249 -6.537 -9.748 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.377 -5.292 -7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.592 -6.876 -7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.277 -6.642 -6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.117 -4.977 -9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.085 -6.316 -8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.601 -6.331 -10.397 1.00 0.00 H new ATOM 965 N LEU A 67 4.752 -11.205 -10.094 1.00 0.00 N ATOM 966 CA LEU A 67 5.089 -12.600 -9.834 1.00 0.00 C ATOM 967 C LEU A 67 6.029 -13.142 -10.906 1.00 0.00 C ATOM 968 O LEU A 67 6.811 -14.057 -10.654 1.00 0.00 O ATOM 969 CB LEU A 67 3.819 -13.450 -9.777 1.00 0.00 C ATOM 970 CG LEU A 67 2.933 -13.252 -8.547 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.536 -13.796 -8.802 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.554 -13.922 -7.329 1.00 0.00 C ATOM 0 H LEU A 67 3.806 -11.059 -10.445 1.00 0.00 H new ATOM 0 HA LEU A 67 5.597 -12.652 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.224 -13.239 -10.666 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.106 -14.500 -9.828 1.00 0.00 H new ATOM 0 HG LEU A 67 2.854 -12.183 -8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.920 -13.646 -7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.090 -13.271 -9.647 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.596 -14.861 -9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.910 -13.771 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.664 -14.990 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.533 -13.485 -7.133 1.00 0.00 H new ATOM 984 N ASN A 68 5.949 -12.567 -12.102 1.00 0.00 N ATOM 985 CA ASN A 68 6.794 -12.992 -13.212 1.00 0.00 C ATOM 986 C ASN A 68 8.270 -12.792 -12.880 1.00 0.00 C ATOM 987 O ASN A 68 9.017 -13.757 -12.727 1.00 0.00 O ATOM 988 CB ASN A 68 6.436 -12.213 -14.480 1.00 0.00 C ATOM 989 CG ASN A 68 6.706 -13.009 -15.742 1.00 0.00 C ATOM 990 OD1 ASN A 68 7.831 -13.443 -15.987 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.671 -13.203 -16.551 1.00 0.00 N ATOM 0 H ASN A 68 5.308 -11.806 -12.327 1.00 0.00 H new ATOM 0 HA ASN A 68 6.619 -14.054 -13.383 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.383 -11.935 -14.447 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.009 -11.286 -14.508 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.791 -13.730 -17.416 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.756 -12.825 -16.308 1.00 0.00 H new ATOM 998 N GLU A 69 8.680 -11.532 -12.768 1.00 0.00 N ATOM 999 CA GLU A 69 10.067 -11.206 -12.454 1.00 0.00 C ATOM 1000 C GLU A 69 10.587 -12.082 -11.318 1.00 0.00 C ATOM 1001 O GLU A 69 11.531 -12.853 -11.496 1.00 0.00 O ATOM 1002 CB GLU A 69 10.193 -9.730 -12.074 1.00 0.00 C ATOM 1003 CG GLU A 69 11.611 -9.194 -12.178 1.00 0.00 C ATOM 1004 CD GLU A 69 12.151 -9.244 -13.594 1.00 0.00 C ATOM 1005 OE1 GLU A 69 11.340 -9.166 -14.540 1.00 0.00 O ATOM 1006 OE2 GLU A 69 13.384 -9.361 -13.755 1.00 0.00 O ATOM 0 H GLU A 69 8.073 -10.722 -12.890 1.00 0.00 H new ATOM 0 HA GLU A 69 10.669 -11.397 -13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.542 -9.140 -12.720 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.836 -9.595 -11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.633 -8.164 -11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.263 -9.773 -11.524 1.00 0.00 H new ATOM 1013 N CYS A 70 9.965 -11.957 -10.151 1.00 0.00 N ATOM 1014 CA CYS A 70 10.366 -12.736 -8.984 1.00 0.00 C ATOM 1015 C CYS A 70 10.475 -14.217 -9.330 1.00 0.00 C ATOM 1016 O CYS A 70 11.503 -14.849 -9.084 1.00 0.00 O ATOM 1017 CB CYS A 70 9.365 -12.538 -7.845 1.00 0.00 C ATOM 1018 SG CYS A 70 9.477 -13.784 -6.539 1.00 0.00 S ATOM 0 H CYS A 70 9.182 -11.324 -9.987 1.00 0.00 H new ATOM 0 HA CYS A 70 11.346 -12.384 -8.662 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.520 -11.552 -7.406 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.356 -12.548 -8.257 1.00 0.00 H new ATOM 0 HG CYS A 70 10.467 -13.495 -5.748 1.00 0.00 H new ATOM 1024 N HIS A 71 9.408 -14.766 -9.902 1.00 0.00 N ATOM 1025 CA HIS A 71 9.383 -16.174 -10.281 1.00 0.00 C ATOM 1026 C HIS A 71 10.684 -16.574 -10.972 1.00 0.00 C ATOM 1027 O HIS A 71 11.104 -17.729 -10.907 1.00 0.00 O ATOM 1028 CB HIS A 71 8.196 -16.456 -11.202 1.00 0.00 C ATOM 1029 CG HIS A 71 6.948 -16.841 -10.469 1.00 0.00 C ATOM 1030 ND1 HIS A 71 5.736 -17.039 -11.098 1.00 0.00 N ATOM 1031 CD2 HIS A 71 6.728 -17.068 -9.153 1.00 0.00 C ATOM 1032 CE1 HIS A 71 4.825 -17.368 -10.200 1.00 0.00 C ATOM 1033 NE2 HIS A 71 5.402 -17.394 -9.011 1.00 0.00 N ATOM 0 H HIS A 71 8.550 -14.257 -10.113 1.00 0.00 H new ATOM 0 HA HIS A 71 9.277 -16.767 -9.372 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.995 -15.570 -11.804 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.464 -17.256 -11.892 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.460 -17.004 -8.361 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.786 -17.580 -10.403 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.938 -17.620 -8.131 1.00 0.00 H new ATOM 1042 N LYS A 72 11.316 -15.611 -11.634 1.00 0.00 N ATOM 1043 CA LYS A 72 12.568 -15.861 -12.338 1.00 0.00 C ATOM 1044 C LYS A 72 13.749 -15.833 -11.372 1.00 0.00 C ATOM 1045 O LYS A 72 14.464 -16.823 -11.225 1.00 0.00 O ATOM 1046 CB LYS A 72 12.774 -14.821 -13.441 1.00 0.00 C ATOM 1047 CG LYS A 72 11.604 -14.717 -14.404 1.00 0.00 C ATOM 1048 CD LYS A 72 11.662 -13.433 -15.215 1.00 0.00 C ATOM 1049 CE LYS A 72 12.652 -13.544 -16.364 1.00 0.00 C ATOM 1050 NZ LYS A 72 12.021 -14.114 -17.587 1.00 0.00 N ATOM 0 H LYS A 72 10.981 -14.650 -11.698 1.00 0.00 H new ATOM 0 HA LYS A 72 12.511 -16.852 -12.788 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.945 -13.847 -12.983 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.674 -15.072 -14.002 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.608 -15.574 -15.077 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.668 -14.754 -13.846 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.671 -13.204 -15.608 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.947 -12.604 -14.567 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.057 -12.558 -16.591 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.490 -14.172 -16.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.728 -14.173 -18.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.656 -15.065 -17.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.237 -13.502 -17.891 1.00 0.00 H new ATOM 1064 N GLN A 73 13.945 -14.693 -10.717 1.00 0.00 N ATOM 1065 CA GLN A 73 15.039 -14.538 -9.765 1.00 0.00 C ATOM 1066 C GLN A 73 14.574 -14.846 -8.346 1.00 0.00 C ATOM 1067 O GLN A 73 15.148 -15.694 -7.664 1.00 0.00 O ATOM 1068 CB GLN A 73 15.604 -13.118 -9.833 1.00 0.00 C ATOM 1069 CG GLN A 73 14.584 -12.041 -9.502 1.00 0.00 C ATOM 1070 CD GLN A 73 14.985 -10.677 -10.027 1.00 0.00 C ATOM 1071 OE1 GLN A 73 15.470 -9.829 -9.278 1.00 0.00 O ATOM 1072 NE2 GLN A 73 14.785 -10.458 -11.322 1.00 0.00 N ATOM 0 H GLN A 73 13.361 -13.864 -10.828 1.00 0.00 H new ATOM 0 HA GLN A 73 15.823 -15.247 -10.032 1.00 0.00 H new ATOM 0 HB2 GLN A 73 16.443 -13.036 -9.142 1.00 0.00 H new ATOM 0 HB3 GLN A 73 15.997 -12.940 -10.834 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.618 -12.319 -9.924 1.00 0.00 H new ATOM 0 HG3 GLN A 73 14.456 -11.987 -8.421 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.380 -11.189 -11.906 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.036 -9.558 -11.732 1.00 0.00 H new ATOM 1081 N GLY A 74 13.529 -14.151 -7.907 1.00 0.00 N ATOM 1082 CA GLY A 74 13.004 -14.365 -6.571 1.00 0.00 C ATOM 1083 C GLY A 74 13.157 -13.144 -5.686 1.00 0.00 C ATOM 1084 O GLY A 74 12.335 -12.901 -4.804 1.00 0.00 O ATOM 0 H GLY A 74 13.037 -13.444 -8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.949 -14.632 -6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.519 -15.209 -6.112 1.00 0.00 H new ATOM 1088 N GLY A 75 14.214 -12.373 -5.922 1.00 0.00 N ATOM 1089 CA GLY A 75 14.454 -11.180 -5.130 1.00 0.00 C ATOM 1090 C GLY A 75 13.846 -9.939 -5.752 1.00 0.00 C ATOM 1091 O GLY A 75 14.455 -9.308 -6.618 1.00 0.00 O ATOM 0 H GLY A 75 14.908 -12.553 -6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.041 -11.322 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.528 -11.035 -5.013 1.00 0.00 H new ATOM 1095 N LEU A 76 12.643 -9.587 -5.313 1.00 0.00 N ATOM 1096 CA LEU A 76 11.951 -8.413 -5.834 1.00 0.00 C ATOM 1097 C LEU A 76 11.552 -7.470 -4.704 1.00 0.00 C ATOM 1098 O LEU A 76 11.062 -7.906 -3.662 1.00 0.00 O ATOM 1099 CB LEU A 76 10.710 -8.836 -6.623 1.00 0.00 C ATOM 1100 CG LEU A 76 10.310 -7.925 -7.783 1.00 0.00 C ATOM 1101 CD1 LEU A 76 11.261 -8.104 -8.956 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.876 -8.204 -8.210 1.00 0.00 C ATOM 0 H LEU A 76 12.126 -10.098 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 76 12.634 -7.885 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.878 -9.839 -7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.870 -8.901 -5.932 1.00 0.00 H new ATOM 0 HG LEU A 76 10.373 -6.891 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.960 -7.447 -9.772 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.275 -7.854 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 76 11.231 -9.140 -9.294 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.608 -7.546 -9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.787 -9.243 -8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.205 -8.023 -7.371 1.00 0.00 H new ATOM 1114 N ARG A 77 11.764 -6.176 -4.918 1.00 0.00 N ATOM 1115 CA ARG A 77 11.426 -5.170 -3.917 1.00 0.00 C ATOM 1116 C ARG A 77 10.637 -4.024 -4.544 1.00 0.00 C ATOM 1117 O ARG A 77 10.604 -3.874 -5.766 1.00 0.00 O ATOM 1118 CB ARG A 77 12.696 -4.629 -3.258 1.00 0.00 C ATOM 1119 CG ARG A 77 13.468 -3.654 -4.131 1.00 0.00 C ATOM 1120 CD ARG A 77 14.370 -4.382 -5.115 1.00 0.00 C ATOM 1121 NE ARG A 77 15.704 -4.614 -4.567 1.00 0.00 N ATOM 1122 CZ ARG A 77 16.624 -3.664 -4.445 1.00 0.00 C ATOM 1123 NH1 ARG A 77 16.356 -2.424 -4.831 1.00 0.00 N ATOM 1124 NH2 ARG A 77 17.815 -3.953 -3.936 1.00 0.00 N ATOM 0 H ARG A 77 12.168 -5.799 -5.775 1.00 0.00 H new ATOM 0 HA ARG A 77 10.804 -5.643 -3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.428 -4.134 -2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.346 -5.465 -3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.769 -3.020 -4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.069 -2.998 -3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.917 -5.337 -5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.451 -3.799 -6.032 1.00 0.00 H new ATOM 0 HE ARG A 77 15.942 -5.558 -4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.442 -2.198 -5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.064 -1.696 -4.736 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.025 -4.906 -3.638 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.521 -3.222 -3.843 1.00 0.00 H new ATOM 1138 N LEU A 78 10.003 -3.219 -3.699 1.00 0.00 N ATOM 1139 CA LEU A 78 9.213 -2.085 -4.169 1.00 0.00 C ATOM 1140 C LEU A 78 9.896 -1.398 -5.347 1.00 0.00 C ATOM 1141 O LEU A 78 9.253 -1.069 -6.344 1.00 0.00 O ATOM 1142 CB LEU A 78 8.998 -1.083 -3.034 1.00 0.00 C ATOM 1143 CG LEU A 78 8.116 0.123 -3.362 1.00 0.00 C ATOM 1144 CD1 LEU A 78 6.656 -0.292 -3.451 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.299 1.216 -2.319 1.00 0.00 C ATOM 0 H LEU A 78 10.020 -3.330 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 78 8.245 -2.460 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.557 -1.611 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.972 -0.718 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 78 8.420 0.518 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.044 0.579 -3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.538 -1.040 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.339 -0.713 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.664 2.066 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.023 0.832 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.342 1.534 -2.304 1.00 0.00 H new ATOM 1157 N ALA A 79 11.202 -1.186 -5.227 1.00 0.00 N ATOM 1158 CA ALA A 79 11.972 -0.542 -6.284 1.00 0.00 C ATOM 1159 C ALA A 79 11.673 -1.169 -7.641 1.00 0.00 C ATOM 1160 O ALA A 79 11.507 -0.465 -8.637 1.00 0.00 O ATOM 1161 CB ALA A 79 13.460 -0.626 -5.978 1.00 0.00 C ATOM 0 H ALA A 79 11.749 -1.451 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 79 11.679 0.507 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.023 -0.141 -6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.666 -0.125 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.758 -1.672 -5.907 1.00 0.00 H new ATOM 1167 N GLN A 80 11.606 -2.496 -7.673 1.00 0.00 N ATOM 1168 CA GLN A 80 11.328 -3.217 -8.910 1.00 0.00 C ATOM 1169 C GLN A 80 9.826 -3.348 -9.138 1.00 0.00 C ATOM 1170 O GLN A 80 9.348 -3.234 -10.266 1.00 0.00 O ATOM 1171 CB GLN A 80 11.973 -4.604 -8.872 1.00 0.00 C ATOM 1172 CG GLN A 80 13.436 -4.584 -8.461 1.00 0.00 C ATOM 1173 CD GLN A 80 14.374 -4.482 -9.648 1.00 0.00 C ATOM 1174 OE1 GLN A 80 15.185 -5.376 -9.892 1.00 0.00 O ATOM 1175 NE2 GLN A 80 14.268 -3.389 -10.394 1.00 0.00 N ATOM 0 H GLN A 80 11.740 -3.093 -6.857 1.00 0.00 H new ATOM 0 HA GLN A 80 11.754 -2.648 -9.736 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.418 -5.235 -8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 80 11.887 -5.062 -9.857 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.610 -3.741 -7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.664 -5.490 -7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.582 -2.673 -10.155 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.873 -3.265 -11.206 1.00 0.00 H new ATOM 1184 N ALA A 81 9.087 -3.587 -8.060 1.00 0.00 N ATOM 1185 CA ALA A 81 7.639 -3.732 -8.142 1.00 0.00 C ATOM 1186 C ALA A 81 7.003 -2.515 -8.806 1.00 0.00 C ATOM 1187 O ALA A 81 6.072 -2.645 -9.601 1.00 0.00 O ATOM 1188 CB ALA A 81 7.050 -3.947 -6.756 1.00 0.00 C ATOM 0 H ALA A 81 9.468 -3.684 -7.119 1.00 0.00 H new ATOM 0 HA ALA A 81 7.420 -4.605 -8.757 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.968 -4.054 -6.833 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.473 -4.850 -6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.286 -3.091 -6.124 1.00 0.00 H new ATOM 1194 N ARG A 82 7.512 -1.332 -8.474 1.00 0.00 N ATOM 1195 CA ARG A 82 6.992 -0.092 -9.037 1.00 0.00 C ATOM 1196 C ARG A 82 7.468 0.095 -10.474 1.00 0.00 C ATOM 1197 O ARG A 82 7.016 0.999 -11.176 1.00 0.00 O ATOM 1198 CB ARG A 82 7.427 1.101 -8.184 1.00 0.00 C ATOM 1199 CG ARG A 82 8.898 1.453 -8.335 1.00 0.00 C ATOM 1200 CD ARG A 82 9.264 2.679 -7.513 1.00 0.00 C ATOM 1201 NE ARG A 82 10.631 3.123 -7.773 1.00 0.00 N ATOM 1202 CZ ARG A 82 10.985 3.823 -8.845 1.00 0.00 C ATOM 1203 NH1 ARG A 82 10.077 4.157 -9.752 1.00 0.00 N ATOM 1204 NH2 ARG A 82 12.249 4.191 -9.011 1.00 0.00 N ATOM 0 H ARG A 82 8.283 -1.207 -7.818 1.00 0.00 H new ATOM 0 HA ARG A 82 5.904 -0.151 -9.039 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.825 1.969 -8.454 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.220 0.883 -7.136 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.510 0.607 -8.021 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.123 1.637 -9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.570 3.488 -7.740 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.152 2.452 -6.453 1.00 0.00 H new ATOM 0 HE ARG A 82 11.353 2.882 -7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.104 3.876 -9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.351 4.695 -10.574 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.950 3.936 -8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.520 4.728 -9.835 1.00 0.00 H new ATOM 1218 N ALA A 83 8.385 -0.766 -10.905 1.00 0.00 N ATOM 1219 CA ALA A 83 8.922 -0.697 -12.258 1.00 0.00 C ATOM 1220 C ALA A 83 8.144 -1.605 -13.204 1.00 0.00 C ATOM 1221 O ALA A 83 8.015 -1.314 -14.394 1.00 0.00 O ATOM 1222 CB ALA A 83 10.397 -1.069 -12.260 1.00 0.00 C ATOM 0 H ALA A 83 8.771 -1.519 -10.336 1.00 0.00 H new ATOM 0 HA ALA A 83 8.817 0.328 -12.612 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.785 -1.013 -13.277 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.948 -0.377 -11.623 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.517 -2.084 -11.881 1.00 0.00 H new ATOM 1228 N LEU A 84 7.627 -2.705 -12.669 1.00 0.00 N ATOM 1229 CA LEU A 84 6.862 -3.657 -13.467 1.00 0.00 C ATOM 1230 C LEU A 84 5.520 -3.063 -13.884 1.00 0.00 C ATOM 1231 O LEU A 84 4.891 -3.533 -14.833 1.00 0.00 O ATOM 1232 CB LEU A 84 6.637 -4.949 -12.679 1.00 0.00 C ATOM 1233 CG LEU A 84 7.748 -5.996 -12.776 1.00 0.00 C ATOM 1234 CD1 LEU A 84 8.799 -5.759 -11.703 1.00 0.00 C ATOM 1235 CD2 LEU A 84 7.170 -7.399 -12.659 1.00 0.00 C ATOM 0 H LEU A 84 7.723 -2.960 -11.686 1.00 0.00 H new ATOM 0 HA LEU A 84 7.435 -3.882 -14.367 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.499 -4.691 -11.629 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.707 -5.403 -13.021 1.00 0.00 H new ATOM 0 HG LEU A 84 8.226 -5.902 -13.751 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.581 -6.513 -11.787 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.234 -4.768 -11.833 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.335 -5.825 -10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.974 -8.131 -12.730 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.666 -7.506 -11.698 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.455 -7.566 -13.465 1.00 0.00 H new ATOM 1247 N ILE A 85 5.090 -2.028 -13.171 1.00 0.00 N ATOM 1248 CA ILE A 85 3.825 -1.368 -13.470 1.00 0.00 C ATOM 1249 C ILE A 85 4.049 0.071 -13.921 1.00 0.00 C ATOM 1250 O ILE A 85 3.165 0.695 -14.509 1.00 0.00 O ATOM 1251 CB ILE A 85 2.886 -1.371 -12.249 1.00 0.00 C ATOM 1252 CG1 ILE A 85 3.689 -1.176 -10.961 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.094 -2.668 -12.194 1.00 0.00 C ATOM 1254 CD1 ILE A 85 2.859 -1.321 -9.705 1.00 0.00 C ATOM 0 H ILE A 85 5.599 -1.628 -12.382 1.00 0.00 H new ATOM 0 HA ILE A 85 3.359 -1.931 -14.278 1.00 0.00 H new ATOM 0 HB ILE A 85 2.184 -0.543 -12.346 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.502 -1.902 -10.936 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.146 -0.186 -10.973 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.435 -2.655 -11.326 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.498 -2.769 -13.101 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.781 -3.511 -12.116 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.492 -1.170 -8.831 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.062 -0.578 -9.708 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.424 -2.320 -9.670 1.00 0.00 H new ATOM 1266 N LYS A 86 5.239 0.594 -13.644 1.00 0.00 N ATOM 1267 CA LYS A 86 5.583 1.959 -14.023 1.00 0.00 C ATOM 1268 C LYS A 86 4.564 2.951 -13.470 1.00 0.00 C ATOM 1269 O LYS A 86 4.133 3.868 -14.170 1.00 0.00 O ATOM 1270 CB LYS A 86 5.656 2.084 -15.547 1.00 0.00 C ATOM 1271 CG LYS A 86 6.536 1.034 -16.201 1.00 0.00 C ATOM 1272 CD LYS A 86 7.177 1.558 -17.475 1.00 0.00 C ATOM 1273 CE LYS A 86 6.277 1.340 -18.682 1.00 0.00 C ATOM 1274 NZ LYS A 86 6.389 -0.046 -19.215 1.00 0.00 N ATOM 0 H LYS A 86 5.982 0.092 -13.158 1.00 0.00 H new ATOM 0 HA LYS A 86 6.559 2.192 -13.598 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.649 2.010 -15.958 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.033 3.074 -15.804 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.313 0.723 -15.503 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.941 0.150 -16.429 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.390 2.621 -17.366 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.131 1.057 -17.636 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.242 1.540 -18.404 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.540 2.052 -19.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.760 -0.154 -20.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.371 -0.228 -19.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.114 -0.725 -18.477 1.00 0.00 H new ATOM 1288 N ILE A 87 4.184 2.761 -12.211 1.00 0.00 N ATOM 1289 CA ILE A 87 3.219 3.640 -11.564 1.00 0.00 C ATOM 1290 C ILE A 87 3.775 4.204 -10.261 1.00 0.00 C ATOM 1291 O ILE A 87 4.673 3.620 -9.654 1.00 0.00 O ATOM 1292 CB ILE A 87 1.897 2.906 -11.270 1.00 0.00 C ATOM 1293 CG1 ILE A 87 2.127 1.784 -10.255 1.00 0.00 C ATOM 1294 CG2 ILE A 87 1.302 2.351 -12.555 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.891 1.429 -9.458 1.00 0.00 C ATOM 0 H ILE A 87 4.530 2.006 -11.619 1.00 0.00 H new ATOM 0 HA ILE A 87 3.024 4.458 -12.257 1.00 0.00 H new ATOM 0 HB ILE A 87 1.190 3.618 -10.843 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.478 0.896 -10.780 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.919 2.083 -9.568 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.368 1.835 -12.331 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.107 3.169 -13.249 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.004 1.651 -13.008 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.127 0.627 -8.759 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.551 2.304 -8.905 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.103 1.099 -10.136 1.00 0.00 H new ATOM 1307 N ASP A 88 3.234 5.340 -9.836 1.00 0.00 N ATOM 1308 CA ASP A 88 3.674 5.982 -8.602 1.00 0.00 C ATOM 1309 C ASP A 88 3.867 4.953 -7.493 1.00 0.00 C ATOM 1310 O ASP A 88 2.933 4.243 -7.120 1.00 0.00 O ATOM 1311 CB ASP A 88 2.660 7.039 -8.163 1.00 0.00 C ATOM 1312 CG ASP A 88 3.308 8.186 -7.412 1.00 0.00 C ATOM 1313 OD1 ASP A 88 4.384 8.647 -7.847 1.00 0.00 O ATOM 1314 OD2 ASP A 88 2.741 8.622 -6.388 1.00 0.00 O ATOM 0 H ASP A 88 2.490 5.836 -10.327 1.00 0.00 H new ATOM 0 HA ASP A 88 4.632 6.466 -8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.143 7.429 -9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.906 6.573 -7.529 1.00 0.00 H new ATOM 1319 N VAL A 89 5.087 4.876 -6.970 1.00 0.00 N ATOM 1320 CA VAL A 89 5.403 3.933 -5.903 1.00 0.00 C ATOM 1321 C VAL A 89 4.400 4.039 -4.761 1.00 0.00 C ATOM 1322 O VAL A 89 4.056 3.042 -4.128 1.00 0.00 O ATOM 1323 CB VAL A 89 6.822 4.167 -5.350 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.963 5.589 -4.828 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.141 3.156 -4.260 1.00 0.00 C ATOM 0 H VAL A 89 5.872 5.455 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 89 5.350 2.934 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 89 7.537 4.031 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.971 5.736 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.779 6.294 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.240 5.757 -4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.147 3.335 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.423 3.259 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.083 2.148 -4.670 1.00 0.00 H new ATOM 1335 N ASN A 90 3.932 5.256 -4.502 1.00 0.00 N ATOM 1336 CA ASN A 90 2.967 5.493 -3.435 1.00 0.00 C ATOM 1337 C ASN A 90 1.774 4.551 -3.561 1.00 0.00 C ATOM 1338 O ASN A 90 1.054 4.309 -2.592 1.00 0.00 O ATOM 1339 CB ASN A 90 2.489 6.946 -3.465 1.00 0.00 C ATOM 1340 CG ASN A 90 1.530 7.263 -2.334 1.00 0.00 C ATOM 1341 OD1 ASN A 90 0.385 7.651 -2.566 1.00 0.00 O ATOM 1342 ND2 ASN A 90 1.995 7.098 -1.101 1.00 0.00 N ATOM 0 H ASN A 90 4.206 6.093 -5.017 1.00 0.00 H new ATOM 0 HA ASN A 90 3.461 5.299 -2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.351 7.610 -3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.000 7.145 -4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.396 7.295 -0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.951 6.774 -0.956 1.00 0.00 H new ATOM 1349 N LYS A 91 1.571 4.020 -4.762 1.00 0.00 N ATOM 1350 CA LYS A 91 0.467 3.102 -5.016 1.00 0.00 C ATOM 1351 C LYS A 91 0.876 1.663 -4.719 1.00 0.00 C ATOM 1352 O LYS A 91 0.408 1.060 -3.753 1.00 0.00 O ATOM 1353 CB LYS A 91 0.002 3.221 -6.469 1.00 0.00 C ATOM 1354 CG LYS A 91 -0.336 4.643 -6.885 1.00 0.00 C ATOM 1355 CD LYS A 91 -1.116 4.672 -8.189 1.00 0.00 C ATOM 1356 CE LYS A 91 -2.616 4.610 -7.943 1.00 0.00 C ATOM 1357 NZ LYS A 91 -3.388 4.632 -9.216 1.00 0.00 N ATOM 0 H LYS A 91 2.157 4.210 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.356 3.371 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.783 2.836 -7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.875 2.591 -6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.920 5.124 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.583 5.219 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.874 5.581 -8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.814 3.832 -8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.856 3.703 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.917 5.453 -7.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.406 4.588 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.179 5.509 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.120 3.814 -9.799 1.00 0.00 H new ATOM 1371 N THR A 92 1.755 1.118 -5.555 1.00 0.00 N ATOM 1372 CA THR A 92 2.228 -0.250 -5.381 1.00 0.00 C ATOM 1373 C THR A 92 2.603 -0.522 -3.929 1.00 0.00 C ATOM 1374 O THR A 92 2.472 -1.646 -3.445 1.00 0.00 O ATOM 1375 CB THR A 92 3.446 -0.541 -6.278 1.00 0.00 C ATOM 1376 OG1 THR A 92 4.043 -1.788 -5.904 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.477 0.573 -6.169 1.00 0.00 C ATOM 0 H THR A 92 2.153 1.603 -6.359 1.00 0.00 H new ATOM 0 HA THR A 92 1.408 -0.907 -5.670 1.00 0.00 H new ATOM 0 HB THR A 92 3.103 -0.598 -7.311 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.816 -1.967 -6.480 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.328 0.345 -6.811 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.028 1.516 -6.482 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.814 0.657 -5.136 1.00 0.00 H new ATOM 1385 N ARG A 93 3.070 0.514 -3.240 1.00 0.00 N ATOM 1386 CA ARG A 93 3.465 0.386 -1.842 1.00 0.00 C ATOM 1387 C ARG A 93 2.447 -0.443 -1.063 1.00 0.00 C ATOM 1388 O ARG A 93 2.813 -1.296 -0.255 1.00 0.00 O ATOM 1389 CB ARG A 93 3.610 1.768 -1.202 1.00 0.00 C ATOM 1390 CG ARG A 93 5.019 2.332 -1.286 1.00 0.00 C ATOM 1391 CD ARG A 93 5.299 3.302 -0.149 1.00 0.00 C ATOM 1392 NE ARG A 93 5.312 2.634 1.150 1.00 0.00 N ATOM 1393 CZ ARG A 93 5.199 3.276 2.308 1.00 0.00 C ATOM 1394 NH1 ARG A 93 5.065 4.595 2.328 1.00 0.00 N ATOM 1395 NH2 ARG A 93 5.220 2.598 3.448 1.00 0.00 N ATOM 0 H ARG A 93 3.184 1.451 -3.627 1.00 0.00 H new ATOM 0 HA ARG A 93 4.427 -0.125 -1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.921 2.459 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.314 1.707 -0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.741 1.516 -1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.152 2.841 -2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.260 3.789 -0.316 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.541 4.086 -0.146 1.00 0.00 H new ATOM 0 HE ARG A 93 5.413 1.619 1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.048 5.119 1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.978 5.085 3.218 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.323 1.583 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.133 3.091 4.336 1.00 0.00 H new ATOM 1409 N LYS A 94 1.168 -0.185 -1.312 1.00 0.00 N ATOM 1410 CA LYS A 94 0.096 -0.906 -0.636 1.00 0.00 C ATOM 1411 C LYS A 94 -0.086 -2.297 -1.235 1.00 0.00 C ATOM 1412 O LYS A 94 -0.492 -3.232 -0.544 1.00 0.00 O ATOM 1413 CB LYS A 94 -1.215 -0.122 -0.734 1.00 0.00 C ATOM 1414 CG LYS A 94 -1.056 1.364 -0.463 1.00 0.00 C ATOM 1415 CD LYS A 94 -1.225 1.683 1.013 1.00 0.00 C ATOM 1416 CE LYS A 94 -0.946 3.150 1.303 1.00 0.00 C ATOM 1417 NZ LYS A 94 -0.619 3.380 2.737 1.00 0.00 N ATOM 0 H LYS A 94 0.848 0.519 -1.978 1.00 0.00 H new ATOM 0 HA LYS A 94 0.370 -1.014 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.637 -0.258 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.931 -0.538 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.072 1.692 -0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.792 1.921 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.240 1.436 1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.550 1.060 1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.118 3.492 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.816 3.746 1.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.436 4.392 2.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.419 3.078 3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.227 2.831 2.993 1.00 0.00 H new ATOM 1431 N ILE A 95 0.218 -2.427 -2.522 1.00 0.00 N ATOM 1432 CA ILE A 95 0.090 -3.705 -3.211 1.00 0.00 C ATOM 1433 C ILE A 95 1.258 -4.628 -2.879 1.00 0.00 C ATOM 1434 O ILE A 95 1.080 -5.666 -2.243 1.00 0.00 O ATOM 1435 CB ILE A 95 0.018 -3.516 -4.738 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -0.930 -2.367 -5.087 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.432 -4.804 -5.410 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -0.918 -1.998 -6.554 1.00 0.00 C ATOM 0 H ILE A 95 0.555 -1.663 -3.108 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.839 -4.159 -2.865 1.00 0.00 H new ATOM 0 HB ILE A 95 1.013 -3.266 -5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.944 -2.643 -4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.658 -1.491 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.478 -4.655 -6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.278 -5.600 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.419 -5.082 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.613 -1.177 -6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.087 -1.691 -6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.219 -2.861 -7.149 1.00 0.00 H new ATOM 1450 N TYR A 96 2.452 -4.241 -3.313 1.00 0.00 N ATOM 1451 CA TYR A 96 3.650 -5.034 -3.062 1.00 0.00 C ATOM 1452 C TYR A 96 3.633 -5.616 -1.652 1.00 0.00 C ATOM 1453 O TYR A 96 3.778 -6.825 -1.466 1.00 0.00 O ATOM 1454 CB TYR A 96 4.903 -4.178 -3.257 1.00 0.00 C ATOM 1455 CG TYR A 96 6.171 -4.841 -2.767 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.815 -5.805 -3.533 1.00 0.00 C ATOM 1457 CD2 TYR A 96 6.725 -4.503 -1.538 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.973 -6.413 -3.089 1.00 0.00 C ATOM 1459 CE2 TYR A 96 7.883 -5.105 -1.087 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.503 -6.060 -1.865 1.00 0.00 C ATOM 1461 OH TYR A 96 9.657 -6.663 -1.420 1.00 0.00 O ATOM 0 H TYR A 96 2.616 -3.383 -3.840 1.00 0.00 H new ATOM 0 HA TYR A 96 3.666 -5.858 -3.775 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.011 -3.943 -4.316 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.772 -3.232 -2.733 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.403 -6.084 -4.492 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.241 -3.757 -0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.461 -7.161 -3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.301 -4.829 -0.130 1.00 0.00 H new ATOM 0 HH TYR A 96 10.018 -7.239 -2.126 1.00 0.00 H new ATOM 1471 N ASP A 97 3.453 -4.748 -0.663 1.00 0.00 N ATOM 1472 CA ASP A 97 3.414 -5.175 0.731 1.00 0.00 C ATOM 1473 C ASP A 97 2.420 -6.316 0.923 1.00 0.00 C ATOM 1474 O ASP A 97 2.705 -7.292 1.616 1.00 0.00 O ATOM 1475 CB ASP A 97 3.042 -4.000 1.636 1.00 0.00 C ATOM 1476 CG ASP A 97 4.251 -3.192 2.063 1.00 0.00 C ATOM 1477 OD1 ASP A 97 5.104 -3.741 2.792 1.00 0.00 O ATOM 1478 OD2 ASP A 97 4.345 -2.010 1.670 1.00 0.00 O ATOM 0 H ASP A 97 3.332 -3.745 -0.800 1.00 0.00 H new ATOM 0 HA ASP A 97 4.407 -5.533 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.341 -3.350 1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.529 -4.375 2.521 1.00 0.00 H new ATOM 1483 N PHE A 98 1.251 -6.185 0.304 1.00 0.00 N ATOM 1484 CA PHE A 98 0.212 -7.204 0.408 1.00 0.00 C ATOM 1485 C PHE A 98 0.676 -8.518 -0.213 1.00 0.00 C ATOM 1486 O PHE A 98 0.295 -9.599 0.237 1.00 0.00 O ATOM 1487 CB PHE A 98 -1.070 -6.727 -0.276 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.064 -7.827 -0.521 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -2.959 -8.201 0.467 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.101 -8.486 -1.739 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -3.875 -9.213 0.246 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.015 -9.498 -1.966 1.00 0.00 C ATOM 1493 CZ PHE A 98 -3.902 -9.862 -0.972 1.00 0.00 C ATOM 0 H PHE A 98 0.999 -5.384 -0.275 1.00 0.00 H new ATOM 0 HA PHE A 98 0.009 -7.374 1.465 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.536 -5.958 0.340 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.813 -6.262 -1.228 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.941 -7.696 1.422 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.409 -8.206 -2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.568 -9.495 1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.035 -10.004 -2.920 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.616 -10.653 -1.147 1.00 0.00 H new ATOM 1503 N LEU A 99 1.500 -8.417 -1.250 1.00 0.00 N ATOM 1504 CA LEU A 99 2.016 -9.597 -1.935 1.00 0.00 C ATOM 1505 C LEU A 99 3.138 -10.246 -1.131 1.00 0.00 C ATOM 1506 O LEU A 99 3.273 -11.469 -1.111 1.00 0.00 O ATOM 1507 CB LEU A 99 2.523 -9.221 -3.329 1.00 0.00 C ATOM 1508 CG LEU A 99 1.476 -8.671 -4.298 1.00 0.00 C ATOM 1509 CD1 LEU A 99 2.141 -8.151 -5.563 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.447 -9.740 -4.634 1.00 0.00 C ATOM 0 H LEU A 99 1.825 -7.530 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 99 1.202 -10.315 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.313 -8.478 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.977 -10.104 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 99 0.962 -7.840 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.380 -7.764 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.838 -7.354 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.681 -8.963 -6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.290 -9.331 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.945 -10.592 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.052 -10.064 -3.721 1.00 0.00 H new ATOM 1522 N ILE A 100 3.940 -9.418 -0.470 1.00 0.00 N ATOM 1523 CA ILE A 100 5.048 -9.912 0.338 1.00 0.00 C ATOM 1524 C ILE A 100 4.544 -10.738 1.517 1.00 0.00 C ATOM 1525 O ILE A 100 5.128 -11.765 1.863 1.00 0.00 O ATOM 1526 CB ILE A 100 5.917 -8.756 0.869 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.610 -8.036 -0.289 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.941 -9.278 1.866 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.747 -8.827 -0.897 1.00 0.00 C ATOM 0 H ILE A 100 3.843 -8.403 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 100 5.655 -10.543 -0.311 1.00 0.00 H new ATOM 0 HB ILE A 100 5.272 -8.042 1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.874 -7.818 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.992 -7.079 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.547 -8.450 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.426 -9.749 2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.584 -10.010 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.192 -8.256 -1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.502 -9.022 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.367 -9.773 -1.282 1.00 0.00 H new ATOM 1541 N ARG A 101 3.455 -10.283 2.128 1.00 0.00 N ATOM 1542 CA ARG A 101 2.872 -10.980 3.268 1.00 0.00 C ATOM 1543 C ARG A 101 2.071 -12.195 2.810 1.00 0.00 C ATOM 1544 O ARG A 101 2.099 -13.245 3.450 1.00 0.00 O ATOM 1545 CB ARG A 101 1.972 -10.034 4.065 1.00 0.00 C ATOM 1546 CG ARG A 101 0.772 -9.528 3.280 1.00 0.00 C ATOM 1547 CD ARG A 101 -0.001 -8.477 4.060 1.00 0.00 C ATOM 1548 NE ARG A 101 -0.956 -9.076 4.989 1.00 0.00 N ATOM 1549 CZ ARG A 101 -1.606 -8.387 5.920 1.00 0.00 C ATOM 1550 NH1 ARG A 101 -1.405 -7.083 6.046 1.00 0.00 N ATOM 1551 NH2 ARG A 101 -2.460 -9.004 6.728 1.00 0.00 N ATOM 0 H ARG A 101 2.959 -9.435 1.853 1.00 0.00 H new ATOM 0 HA ARG A 101 3.685 -11.322 3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.620 -10.549 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.562 -9.181 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.107 -9.106 2.333 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.113 -10.363 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.698 -7.850 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.531 -7.827 3.364 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.133 -10.078 4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.750 -6.606 5.427 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.906 -6.557 6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.617 -10.007 6.634 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.959 -8.475 7.443 1.00 0.00 H new ATOM 1565 N GLU A 102 1.358 -12.043 1.698 1.00 0.00 N ATOM 1566 CA GLU A 102 0.549 -13.128 1.156 1.00 0.00 C ATOM 1567 C GLU A 102 1.428 -14.293 0.711 1.00 0.00 C ATOM 1568 O GLU A 102 0.945 -15.405 0.500 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.290 -12.629 -0.022 1.00 0.00 C ATOM 1570 CG GLU A 102 -1.563 -11.913 0.397 1.00 0.00 C ATOM 1571 CD GLU A 102 -2.603 -12.858 0.967 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -3.046 -13.765 0.231 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -2.974 -12.691 2.147 1.00 0.00 O ATOM 0 H GLU A 102 1.324 -11.180 1.156 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.117 -13.479 1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.314 -11.953 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.552 -13.477 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.321 -11.154 1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.983 -11.393 -0.464 1.00 0.00 H new ATOM 1580 N GLY A 103 2.724 -14.029 0.569 1.00 0.00 N ATOM 1581 CA GLY A 103 3.650 -15.063 0.149 1.00 0.00 C ATOM 1582 C GLY A 103 3.671 -15.247 -1.356 1.00 0.00 C ATOM 1583 O GLY A 103 3.781 -16.370 -1.849 1.00 0.00 O ATOM 0 H GLY A 103 3.148 -13.117 0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.652 -14.811 0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.377 -16.006 0.623 1.00 0.00 H new ATOM 1587 N TYR A 104 3.565 -14.143 -2.086 1.00 0.00 N ATOM 1588 CA TYR A 104 3.568 -14.187 -3.544 1.00 0.00 C ATOM 1589 C TYR A 104 4.931 -13.786 -4.098 1.00 0.00 C ATOM 1590 O TYR A 104 5.301 -14.174 -5.207 1.00 0.00 O ATOM 1591 CB TYR A 104 2.485 -13.264 -4.105 1.00 0.00 C ATOM 1592 CG TYR A 104 1.081 -13.796 -3.921 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.692 -14.999 -4.498 1.00 0.00 C ATOM 1594 CD2 TYR A 104 0.144 -13.095 -3.172 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -0.590 -15.488 -4.333 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.139 -13.577 -3.001 1.00 0.00 C ATOM 1597 CZ TYR A 104 -1.501 -14.774 -3.584 1.00 0.00 C ATOM 1598 OH TYR A 104 -2.779 -15.257 -3.417 1.00 0.00 O ATOM 0 H TYR A 104 3.476 -13.206 -1.693 1.00 0.00 H new ATOM 0 HA TYR A 104 3.358 -15.211 -3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.562 -12.291 -3.620 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.668 -13.106 -5.168 1.00 0.00 H new ATOM 0 HD1 TYR A 104 1.403 -15.561 -5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.424 -12.157 -2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.877 -16.424 -4.788 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -1.855 -13.020 -2.414 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.294 -14.635 -2.862 1.00 0.00 H new ATOM 1608 N ILE A 105 5.674 -13.009 -3.318 1.00 0.00 N ATOM 1609 CA ILE A 105 6.998 -12.557 -3.729 1.00 0.00 C ATOM 1610 C ILE A 105 7.943 -12.466 -2.536 1.00 0.00 C ATOM 1611 O ILE A 105 7.524 -12.602 -1.385 1.00 0.00 O ATOM 1612 CB ILE A 105 6.933 -11.184 -4.424 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.902 -10.287 -3.734 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.595 -11.352 -5.898 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.969 -8.841 -4.174 1.00 0.00 C ATOM 0 H ILE A 105 5.382 -12.679 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 105 7.378 -13.295 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 105 7.910 -10.708 -4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.903 -10.674 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.052 -10.338 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.553 -10.373 -6.375 1.00 0.00 H new ATOM 0 HG22 ILE A 105 7.362 -11.958 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.628 -11.845 -5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.211 -8.264 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.956 -8.437 -3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.789 -8.779 -5.247 1.00 0.00 H new ATOM 1627 N THR A 106 9.221 -12.232 -2.817 1.00 0.00 N ATOM 1628 CA THR A 106 10.226 -12.121 -1.767 1.00 0.00 C ATOM 1629 C THR A 106 10.657 -10.673 -1.569 1.00 0.00 C ATOM 1630 O THR A 106 10.328 -9.800 -2.373 1.00 0.00 O ATOM 1631 CB THR A 106 11.468 -12.975 -2.087 1.00 0.00 C ATOM 1632 OG1 THR A 106 11.088 -14.128 -2.847 1.00 0.00 O ATOM 1633 CG2 THR A 106 12.168 -13.412 -0.809 1.00 0.00 C ATOM 0 H THR A 106 9.585 -12.116 -3.763 1.00 0.00 H new ATOM 0 HA THR A 106 9.767 -12.489 -0.849 1.00 0.00 H new ATOM 0 HB THR A 106 12.159 -12.367 -2.671 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.415 -14.036 -3.766 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.042 -14.014 -1.060 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.482 -12.532 -0.247 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.482 -14.004 -0.203 1.00 0.00 H new ATOM 1641 N LYS A 107 11.396 -10.422 -0.493 1.00 0.00 N ATOM 1642 CA LYS A 107 11.874 -9.079 -0.189 1.00 0.00 C ATOM 1643 C LYS A 107 13.286 -8.869 -0.726 1.00 0.00 C ATOM 1644 O LYS A 107 14.191 -9.654 -0.443 1.00 0.00 O ATOM 1645 CB LYS A 107 11.851 -8.837 1.322 1.00 0.00 C ATOM 1646 CG LYS A 107 11.680 -7.376 1.702 1.00 0.00 C ATOM 1647 CD LYS A 107 10.212 -7.001 1.824 1.00 0.00 C ATOM 1648 CE LYS A 107 10.038 -5.512 2.081 1.00 0.00 C ATOM 1649 NZ LYS A 107 10.243 -5.169 3.516 1.00 0.00 N ATOM 0 H LYS A 107 11.677 -11.132 0.183 1.00 0.00 H new ATOM 0 HA LYS A 107 11.209 -8.365 -0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.039 -9.415 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.779 -9.210 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.186 -7.183 2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.157 -6.745 0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.687 -7.277 0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.757 -7.567 2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.746 -4.953 1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.038 -5.205 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.116 -4.146 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.551 -5.683 4.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.205 -5.439 3.803 1.00 0.00 H new ATOM 1663 N ALA A 108 13.468 -7.806 -1.502 1.00 0.00 N ATOM 1664 CA ALA A 108 14.770 -7.492 -2.076 1.00 0.00 C ATOM 1665 C ALA A 108 15.205 -6.077 -1.709 1.00 0.00 C ATOM 1666 O ALA A 108 14.515 -5.379 -0.965 1.00 0.00 O ATOM 1667 CB ALA A 108 14.735 -7.660 -3.588 1.00 0.00 C ATOM 0 H ALA A 108 12.729 -7.147 -1.748 1.00 0.00 H new ATOM 0 HA ALA A 108 15.500 -8.188 -1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.714 -7.422 -4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.477 -8.690 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 108 13.988 -6.988 -4.012 1.00 0.00 H new