USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 27 MET CE :methyl -161:sc= -0.648 (180deg=-1.05) USER MOD Single : A 30 TYR OH : rot -27:sc= 1.6 USER MOD Single : A 33 SER OG : rot -43:sc= 0.644 USER MOD Single : A 35 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-1.9!) USER MOD Single : A 37 ASN : amide:sc= -0.522! X(o=-0.52!,f=-0.084) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00617 USER MOD Single : A 42 MET CE :methyl -162:sc= 0 (180deg=-0.35) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.733 K(o=-0.73,f=-0.011) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.799 USER MOD Single : A 76 SER OG : rot -27:sc= 0.447 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 53:sc= -2.36! USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0111) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.242 K(o=-0.24,f=-1.2) USER MOD Single : A 89 ASN : amide:sc= 0.674 K(o=0.67,f=-4.1!) USER MOD Single : A 98 MET CE :methyl 138:sc= -1.91 (180deg=-2.91!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HE2:sc= -0.575 K(o=-0.57,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -13.657 3.010 -6.031 1.00 0.00 N ATOM 360 CA PRO A 26 -12.347 3.299 -5.423 1.00 0.00 C ATOM 361 C PRO A 26 -12.248 2.851 -3.955 1.00 0.00 C ATOM 362 O PRO A 26 -13.070 3.235 -3.115 1.00 0.00 O ATOM 363 CB PRO A 26 -12.237 4.828 -5.534 1.00 0.00 C ATOM 364 CG PRO A 26 -13.651 5.307 -5.568 1.00 0.00 C ATOM 365 CD PRO A 26 -14.433 4.239 -6.291 1.00 0.00 C ATOM 0 HA PRO A 26 -11.544 2.758 -5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.696 5.249 -4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.697 5.122 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.036 5.458 -4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.727 6.264 -6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.451 4.159 -5.910 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.508 4.449 -7.358 1.00 0.00 H new ATOM 373 N MET A 27 -11.244 2.030 -3.651 1.00 0.00 N ATOM 374 CA MET A 27 -10.985 1.591 -2.273 1.00 0.00 C ATOM 375 C MET A 27 -9.558 1.966 -1.845 1.00 0.00 C ATOM 376 O MET A 27 -8.610 1.819 -2.618 1.00 0.00 O ATOM 377 CB MET A 27 -11.201 0.078 -2.142 1.00 0.00 C ATOM 378 CG MET A 27 -11.117 -0.427 -0.709 1.00 0.00 C ATOM 379 SD MET A 27 -12.264 0.436 0.383 1.00 0.00 S ATOM 380 CE MET A 27 -11.936 -0.375 1.947 1.00 0.00 C ATOM 0 H MET A 27 -10.593 1.652 -4.339 1.00 0.00 H new ATOM 0 HA MET A 27 -11.688 2.100 -1.614 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.178 -0.178 -2.552 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.456 -0.441 -2.746 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.332 -1.495 -0.688 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.100 -0.299 -0.339 1.00 0.00 H new ATOM 0 HE1 MET A 27 -12.771 -0.205 2.627 1.00 0.00 H new ATOM 0 HE2 MET A 27 -11.813 -1.446 1.783 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.024 0.032 2.384 1.00 0.00 H new ATOM 390 N ARG A 28 -9.407 2.439 -0.611 1.00 0.00 N ATOM 391 CA ARG A 28 -8.118 2.956 -0.132 1.00 0.00 C ATOM 392 C ARG A 28 -7.492 2.041 0.937 1.00 0.00 C ATOM 393 O ARG A 28 -8.171 1.579 1.855 1.00 0.00 O ATOM 394 CB ARG A 28 -8.317 4.380 0.412 1.00 0.00 C ATOM 395 CG ARG A 28 -7.025 5.121 0.755 1.00 0.00 C ATOM 396 CD ARG A 28 -7.286 6.606 1.006 1.00 0.00 C ATOM 397 NE ARG A 28 -7.859 7.262 -0.174 1.00 0.00 N ATOM 398 CZ ARG A 28 -8.543 8.377 -0.143 1.00 0.00 C ATOM 399 NH1 ARG A 28 -8.752 8.995 0.977 1.00 0.00 N ATOM 400 NH2 ARG A 28 -9.013 8.880 -1.239 1.00 0.00 N ATOM 0 H ARG A 28 -10.157 2.477 0.079 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.421 2.979 -0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.868 4.962 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.938 4.329 1.306 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.571 4.675 1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.311 5.008 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.965 6.719 1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.353 7.099 1.279 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.714 6.819 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.382 8.613 1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.287 9.864 0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.850 8.407 -2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.546 9.749 -1.214 1.00 0.00 H new ATOM 414 N LEU A 29 -6.190 1.780 0.808 1.00 0.00 N ATOM 415 CA LEU A 29 -5.464 0.918 1.750 1.00 0.00 C ATOM 416 C LEU A 29 -4.482 1.718 2.621 1.00 0.00 C ATOM 417 O LEU A 29 -3.778 2.606 2.138 1.00 0.00 O ATOM 418 CB LEU A 29 -4.689 -0.173 0.996 1.00 0.00 C ATOM 419 CG LEU A 29 -5.543 -1.169 0.195 1.00 0.00 C ATOM 420 CD1 LEU A 29 -4.660 -2.235 -0.450 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.605 -1.818 1.081 1.00 0.00 C ATOM 0 H LEU A 29 -5.611 2.155 0.056 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.210 0.462 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.991 0.310 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.093 -0.732 1.717 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.053 -0.617 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.282 -2.931 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.948 -1.759 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.119 -2.777 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.195 -2.518 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.120 -2.352 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.259 -1.047 1.489 1.00 0.00 H new ATOM 433 N TYR A 30 -4.452 1.382 3.904 1.00 0.00 N ATOM 434 CA TYR A 30 -3.474 1.931 4.849 1.00 0.00 C ATOM 435 C TYR A 30 -2.214 1.053 4.891 1.00 0.00 C ATOM 436 O TYR A 30 -2.252 -0.078 5.372 1.00 0.00 O ATOM 437 CB TYR A 30 -4.102 2.028 6.254 1.00 0.00 C ATOM 438 CG TYR A 30 -3.096 2.181 7.391 1.00 0.00 C ATOM 439 CD1 TYR A 30 -2.464 3.396 7.645 1.00 0.00 C ATOM 440 CD2 TYR A 30 -2.779 1.097 8.210 1.00 0.00 C ATOM 441 CE1 TYR A 30 -1.551 3.525 8.677 1.00 0.00 C ATOM 442 CE2 TYR A 30 -1.868 1.220 9.243 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.255 2.434 9.472 1.00 0.00 C ATOM 444 OH TYR A 30 -0.348 2.559 10.505 1.00 0.00 O ATOM 0 H TYR A 30 -5.104 0.720 4.325 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.187 2.929 4.517 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.785 2.877 6.274 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.699 1.134 6.433 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.690 4.252 7.026 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.254 0.143 8.034 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.071 4.475 8.860 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.638 0.369 9.867 1.00 0.00 H new ATOM 0 HH TYR A 30 0.288 3.275 10.297 1.00 0.00 H new ATOM 454 N VAL A 31 -1.108 1.573 4.368 1.00 0.00 N ATOM 455 CA VAL A 31 0.171 0.856 4.382 1.00 0.00 C ATOM 456 C VAL A 31 1.173 1.532 5.334 1.00 0.00 C ATOM 457 O VAL A 31 1.767 2.557 5.000 1.00 0.00 O ATOM 458 CB VAL A 31 0.785 0.783 2.960 1.00 0.00 C ATOM 459 CG1 VAL A 31 2.089 -0.015 2.965 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.215 0.185 1.971 1.00 0.00 C ATOM 0 H VAL A 31 -1.068 2.492 3.927 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.030 -0.155 4.735 1.00 0.00 H new ATOM 0 HB VAL A 31 1.016 1.799 2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.498 -0.050 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.807 0.465 3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.894 -1.029 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.235 0.143 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.485 -0.822 2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.109 0.807 1.937 1.00 0.00 H new ATOM 470 N GLY A 32 1.349 0.965 6.525 1.00 0.00 N ATOM 471 CA GLY A 32 2.258 1.552 7.508 1.00 0.00 C ATOM 472 C GLY A 32 3.484 0.687 7.806 1.00 0.00 C ATOM 473 O GLY A 32 3.464 -0.159 8.705 1.00 0.00 O ATOM 0 H GLY A 32 0.882 0.111 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.590 2.525 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.713 1.726 8.436 1.00 0.00 H new ATOM 477 N SER A 33 4.551 0.897 7.037 1.00 0.00 N ATOM 478 CA SER A 33 5.833 0.197 7.246 1.00 0.00 C ATOM 479 C SER A 33 6.962 0.871 6.446 1.00 0.00 C ATOM 480 O SER A 33 8.006 0.275 6.176 1.00 0.00 O ATOM 481 CB SER A 33 5.711 -1.280 6.836 1.00 0.00 C ATOM 482 OG SER A 33 6.882 -2.018 7.164 1.00 0.00 O ATOM 0 H SER A 33 4.560 1.551 6.254 1.00 0.00 H new ATOM 0 HA SER A 33 6.078 0.252 8.307 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.850 -1.725 7.334 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.529 -1.346 5.763 1.00 0.00 H new ATOM 0 HG SER A 33 7.676 -1.496 6.923 1.00 0.00 H new ATOM 488 N LEU A 34 6.752 2.135 6.090 1.00 0.00 N ATOM 489 CA LEU A 34 7.701 2.877 5.257 1.00 0.00 C ATOM 490 C LEU A 34 8.803 3.512 6.122 1.00 0.00 C ATOM 491 O LEU A 34 8.591 4.560 6.729 1.00 0.00 O ATOM 492 CB LEU A 34 6.957 3.968 4.470 1.00 0.00 C ATOM 493 CG LEU A 34 5.639 3.522 3.807 1.00 0.00 C ATOM 494 CD1 LEU A 34 5.031 4.658 2.992 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.852 2.280 2.944 1.00 0.00 C ATOM 0 H LEU A 34 5.929 2.672 6.366 1.00 0.00 H new ATOM 0 HA LEU A 34 8.169 2.183 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.742 4.797 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.622 4.351 3.696 1.00 0.00 H new ATOM 0 HG LEU A 34 4.935 3.261 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.102 4.320 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.826 5.506 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.730 4.962 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.906 1.987 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.579 2.501 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.223 1.465 3.565 1.00 0.00 H new ATOM 507 N HIS A 35 9.976 2.878 6.182 1.00 0.00 N ATOM 508 CA HIS A 35 11.056 3.355 7.059 1.00 0.00 C ATOM 509 C HIS A 35 11.673 4.688 6.564 1.00 0.00 C ATOM 510 O HIS A 35 12.736 4.715 5.950 1.00 0.00 O ATOM 511 CB HIS A 35 12.136 2.264 7.244 1.00 0.00 C ATOM 512 CG HIS A 35 13.009 2.020 6.046 1.00 0.00 C ATOM 513 ND1 HIS A 35 14.284 2.528 5.934 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.793 1.317 4.911 1.00 0.00 C ATOM 515 CE1 HIS A 35 14.812 2.149 4.790 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.931 1.410 4.146 1.00 0.00 N ATOM 0 H HIS A 35 10.204 2.043 5.642 1.00 0.00 H new ATOM 0 HA HIS A 35 10.613 3.563 8.033 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.770 2.542 8.086 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.643 1.329 7.511 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.892 0.781 4.653 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.801 2.401 4.438 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.070 0.979 3.232 1.00 0.00 H new ATOM 525 N PHE A 36 10.944 5.784 6.787 1.00 0.00 N ATOM 526 CA PHE A 36 11.441 7.155 6.551 1.00 0.00 C ATOM 527 C PHE A 36 12.073 7.380 5.154 1.00 0.00 C ATOM 528 O PHE A 36 12.749 8.387 4.944 1.00 0.00 O ATOM 529 CB PHE A 36 12.461 7.526 7.641 1.00 0.00 C ATOM 530 CG PHE A 36 11.913 7.428 9.046 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.227 8.491 9.617 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.087 6.270 9.797 1.00 0.00 C ATOM 533 CE1 PHE A 36 10.727 8.403 10.904 1.00 0.00 C ATOM 534 CE2 PHE A 36 11.589 6.179 11.082 1.00 0.00 C ATOM 535 CZ PHE A 36 10.908 7.246 11.637 1.00 0.00 C ATOM 0 H PHE A 36 9.987 5.753 7.138 1.00 0.00 H new ATOM 0 HA PHE A 36 10.564 7.802 6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 36 13.328 6.871 7.552 1.00 0.00 H new ATOM 0 HB3 PHE A 36 12.811 8.544 7.467 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.082 9.398 9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.618 5.432 9.370 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.195 9.238 11.335 1.00 0.00 H new ATOM 0 HE2 PHE A 36 11.732 5.274 11.653 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.518 7.175 12.642 1.00 0.00 H new ATOM 545 N ASN A 37 11.831 6.482 4.195 1.00 0.00 N ATOM 546 CA ASN A 37 12.493 6.576 2.879 1.00 0.00 C ATOM 547 C ASN A 37 11.562 6.140 1.731 1.00 0.00 C ATOM 548 O ASN A 37 11.511 6.793 0.689 1.00 0.00 O ATOM 549 CB ASN A 37 13.769 5.709 2.882 1.00 0.00 C ATOM 550 CG ASN A 37 14.788 6.079 1.801 1.00 0.00 C ATOM 551 OD1 ASN A 37 15.987 5.885 1.982 1.00 0.00 O ATOM 552 ND2 ASN A 37 14.343 6.609 0.677 1.00 0.00 N ATOM 0 H ASN A 37 11.194 5.692 4.296 1.00 0.00 H new ATOM 0 HA ASN A 37 12.752 7.621 2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.247 5.791 3.858 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.484 4.665 2.753 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.999 6.865 -0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.343 6.762 0.546 1.00 0.00 H new ATOM 559 N ILE A 38 10.845 5.035 1.931 1.00 0.00 N ATOM 560 CA ILE A 38 10.010 4.434 0.874 1.00 0.00 C ATOM 561 C ILE A 38 9.094 5.466 0.182 1.00 0.00 C ATOM 562 O ILE A 38 8.392 6.234 0.842 1.00 0.00 O ATOM 563 CB ILE A 38 9.142 3.276 1.435 1.00 0.00 C ATOM 564 CG1 ILE A 38 10.016 2.266 2.204 1.00 0.00 C ATOM 565 CG2 ILE A 38 8.373 2.579 0.309 1.00 0.00 C ATOM 566 CD1 ILE A 38 11.084 1.597 1.361 1.00 0.00 C ATOM 0 H ILE A 38 10.821 4.531 2.817 1.00 0.00 H new ATOM 0 HA ILE A 38 10.704 4.044 0.129 1.00 0.00 H new ATOM 0 HB ILE A 38 8.417 3.699 2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.496 2.779 3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.372 1.497 2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.771 1.771 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.721 3.299 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.078 2.171 -0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.653 0.902 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.613 1.053 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.755 2.354 0.955 1.00 0.00 H new ATOM 578 N THR A 39 9.106 5.465 -1.151 1.00 0.00 N ATOM 579 CA THR A 39 8.336 6.434 -1.943 1.00 0.00 C ATOM 580 C THR A 39 6.999 5.860 -2.416 1.00 0.00 C ATOM 581 O THR A 39 6.742 4.657 -2.301 1.00 0.00 O ATOM 582 CB THR A 39 9.112 6.891 -3.201 1.00 0.00 C ATOM 583 OG1 THR A 39 9.288 5.781 -4.098 1.00 0.00 O ATOM 584 CG2 THR A 39 10.469 7.475 -2.830 1.00 0.00 C ATOM 0 H THR A 39 9.642 4.802 -1.711 1.00 0.00 H new ATOM 0 HA THR A 39 8.163 7.279 -1.276 1.00 0.00 H new ATOM 0 HB THR A 39 8.530 7.669 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.778 6.077 -4.893 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.990 7.787 -3.735 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.328 8.336 -2.177 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.061 6.720 -2.312 1.00 0.00 H new ATOM 592 N GLU A 40 6.158 6.731 -2.968 1.00 0.00 N ATOM 593 CA GLU A 40 4.879 6.314 -3.548 1.00 0.00 C ATOM 594 C GLU A 40 5.112 5.362 -4.734 1.00 0.00 C ATOM 595 O GLU A 40 4.377 4.394 -4.932 1.00 0.00 O ATOM 596 CB GLU A 40 4.065 7.529 -4.038 1.00 0.00 C ATOM 597 CG GLU A 40 4.070 8.739 -3.102 1.00 0.00 C ATOM 598 CD GLU A 40 5.312 9.608 -3.264 1.00 0.00 C ATOM 599 OE1 GLU A 40 5.428 10.289 -4.308 1.00 0.00 O ATOM 600 OE2 GLU A 40 6.183 9.603 -2.365 1.00 0.00 O ATOM 0 H GLU A 40 6.338 7.733 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 40 4.318 5.802 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.454 7.839 -5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.033 7.215 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.183 9.343 -3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.006 8.394 -2.070 1.00 0.00 H new ATOM 607 N ASP A 41 6.156 5.651 -5.515 1.00 0.00 N ATOM 608 CA ASP A 41 6.480 4.883 -6.722 1.00 0.00 C ATOM 609 C ASP A 41 6.863 3.429 -6.408 1.00 0.00 C ATOM 610 O ASP A 41 6.509 2.517 -7.158 1.00 0.00 O ATOM 611 CB ASP A 41 7.610 5.576 -7.488 1.00 0.00 C ATOM 612 CG ASP A 41 7.215 6.969 -7.935 1.00 0.00 C ATOM 613 OD1 ASP A 41 7.307 7.909 -7.118 1.00 0.00 O ATOM 614 OD2 ASP A 41 6.797 7.129 -9.100 1.00 0.00 O ATOM 0 H ASP A 41 6.799 6.421 -5.330 1.00 0.00 H new ATOM 0 HA ASP A 41 5.582 4.848 -7.339 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.495 5.635 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.879 4.978 -8.358 1.00 0.00 H new ATOM 619 N MET A 42 7.584 3.209 -5.310 1.00 0.00 N ATOM 620 CA MET A 42 7.946 1.847 -4.894 1.00 0.00 C ATOM 621 C MET A 42 6.681 1.043 -4.562 1.00 0.00 C ATOM 622 O MET A 42 6.475 -0.067 -5.060 1.00 0.00 O ATOM 623 CB MET A 42 8.885 1.889 -3.679 1.00 0.00 C ATOM 624 CG MET A 42 9.344 0.516 -3.202 1.00 0.00 C ATOM 625 SD MET A 42 10.469 0.607 -1.795 1.00 0.00 S ATOM 626 CE MET A 42 10.788 -1.131 -1.501 1.00 0.00 C ATOM 0 H MET A 42 7.928 3.946 -4.695 1.00 0.00 H new ATOM 0 HA MET A 42 8.468 1.358 -5.717 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.761 2.486 -3.931 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.378 2.397 -2.858 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.473 -0.078 -2.927 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.838 -0.003 -4.024 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.192 -1.262 -0.497 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.858 -1.692 -1.594 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.508 -1.498 -2.233 1.00 0.00 H new ATOM 636 N LEU A 43 5.831 1.633 -3.728 1.00 0.00 N ATOM 637 CA LEU A 43 4.544 1.037 -3.374 1.00 0.00 C ATOM 638 C LEU A 43 3.702 0.745 -4.626 1.00 0.00 C ATOM 639 O LEU A 43 3.250 -0.378 -4.831 1.00 0.00 O ATOM 640 CB LEU A 43 3.789 1.982 -2.436 1.00 0.00 C ATOM 641 CG LEU A 43 4.502 2.269 -1.106 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.839 3.431 -0.373 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.522 1.016 -0.233 1.00 0.00 C ATOM 0 H LEU A 43 6.011 2.532 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 43 4.727 0.088 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.619 2.926 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.809 1.555 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 43 5.531 2.554 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.362 3.615 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.883 4.326 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.798 3.184 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.030 1.235 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.499 0.700 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.050 0.218 -0.754 1.00 0.00 H new ATOM 655 N ARG A 44 3.509 1.760 -5.466 1.00 0.00 N ATOM 656 CA ARG A 44 2.800 1.599 -6.740 1.00 0.00 C ATOM 657 C ARG A 44 3.397 0.452 -7.573 1.00 0.00 C ATOM 658 O ARG A 44 2.666 -0.332 -8.167 1.00 0.00 O ATOM 659 CB ARG A 44 2.831 2.917 -7.533 1.00 0.00 C ATOM 660 CG ARG A 44 2.184 2.841 -8.914 1.00 0.00 C ATOM 661 CD ARG A 44 1.909 4.230 -9.488 1.00 0.00 C ATOM 662 NE ARG A 44 3.103 5.083 -9.517 1.00 0.00 N ATOM 663 CZ ARG A 44 3.059 6.392 -9.545 1.00 0.00 C ATOM 664 NH1 ARG A 44 1.921 7.016 -9.549 1.00 0.00 N ATOM 665 NH2 ARG A 44 4.154 7.083 -9.574 1.00 0.00 N ATOM 0 H ARG A 44 3.835 2.710 -5.288 1.00 0.00 H new ATOM 0 HA ARG A 44 1.764 1.342 -6.521 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.326 3.688 -6.951 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.868 3.232 -7.648 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.837 2.290 -9.591 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.250 2.283 -8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.517 4.128 -10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.136 4.717 -8.894 1.00 0.00 H new ATOM 0 HE ARG A 44 4.018 4.632 -9.515 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.049 6.487 -9.530 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.898 8.036 -9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.057 6.608 -9.575 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.114 8.102 -9.596 1.00 0.00 H new ATOM 679 N GLY A 45 4.726 0.345 -7.583 1.00 0.00 N ATOM 680 CA GLY A 45 5.394 -0.739 -8.302 1.00 0.00 C ATOM 681 C GLY A 45 4.987 -2.130 -7.813 1.00 0.00 C ATOM 682 O GLY A 45 4.924 -3.078 -8.596 1.00 0.00 O ATOM 0 H GLY A 45 5.356 0.990 -7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.168 -0.654 -9.365 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.473 -0.625 -8.196 1.00 0.00 H new ATOM 686 N ILE A 46 4.719 -2.253 -6.514 1.00 0.00 N ATOM 687 CA ILE A 46 4.287 -3.533 -5.928 1.00 0.00 C ATOM 688 C ILE A 46 2.762 -3.750 -6.053 1.00 0.00 C ATOM 689 O ILE A 46 2.305 -4.840 -6.406 1.00 0.00 O ATOM 690 CB ILE A 46 4.682 -3.618 -4.429 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.199 -3.419 -4.259 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.245 -4.954 -3.826 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.662 -3.428 -2.816 1.00 0.00 C ATOM 0 H ILE A 46 4.791 -1.487 -5.844 1.00 0.00 H new ATOM 0 HA ILE A 46 4.796 -4.314 -6.492 1.00 0.00 H new ATOM 0 HB ILE A 46 4.166 -2.820 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.722 -4.206 -4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.485 -2.472 -4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.533 -4.990 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.163 -5.054 -3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.728 -5.771 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.742 -3.282 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.168 -2.624 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.409 -4.385 -2.359 1.00 0.00 H new ATOM 705 N PHE A 47 1.984 -2.705 -5.767 1.00 0.00 N ATOM 706 CA PHE A 47 0.514 -2.805 -5.700 1.00 0.00 C ATOM 707 C PHE A 47 -0.170 -2.756 -7.088 1.00 0.00 C ATOM 708 O PHE A 47 -1.220 -3.372 -7.283 1.00 0.00 O ATOM 709 CB PHE A 47 -0.038 -1.685 -4.803 1.00 0.00 C ATOM 710 CG PHE A 47 0.238 -1.880 -3.325 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.515 -1.706 -2.807 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.784 -2.229 -2.451 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.766 -1.876 -1.459 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.539 -2.398 -1.102 1.00 0.00 C ATOM 715 CZ PHE A 47 0.738 -2.221 -0.605 1.00 0.00 C ATOM 0 H PHE A 47 2.345 -1.770 -5.576 1.00 0.00 H new ATOM 0 HA PHE A 47 0.283 -3.782 -5.277 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.393 -0.735 -5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.115 -1.612 -4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.324 -1.434 -3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.785 -2.370 -2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.766 -1.739 -1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.345 -2.668 -0.436 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.931 -2.352 0.449 1.00 0.00 H new ATOM 725 N GLU A 48 0.418 -2.032 -8.044 1.00 0.00 N ATOM 726 CA GLU A 48 -0.173 -1.884 -9.394 1.00 0.00 C ATOM 727 C GLU A 48 -0.461 -3.251 -10.063 1.00 0.00 C ATOM 728 O GLU A 48 -1.551 -3.456 -10.603 1.00 0.00 O ATOM 729 CB GLU A 48 0.743 -1.020 -10.288 1.00 0.00 C ATOM 730 CG GLU A 48 0.186 -0.706 -11.682 1.00 0.00 C ATOM 731 CD GLU A 48 -1.056 0.171 -11.669 1.00 0.00 C ATOM 732 OE1 GLU A 48 -1.073 1.190 -10.943 1.00 0.00 O ATOM 733 OE2 GLU A 48 -2.003 -0.132 -12.424 1.00 0.00 O ATOM 0 H GLU A 48 1.301 -1.537 -7.917 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.133 -1.381 -9.276 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.944 -0.080 -9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.699 -1.531 -10.403 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.961 -0.212 -12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.049 -1.643 -12.188 1.00 0.00 H new ATOM 740 N PRO A 49 0.498 -4.216 -10.038 1.00 0.00 N ATOM 741 CA PRO A 49 0.283 -5.574 -10.591 1.00 0.00 C ATOM 742 C PRO A 49 -0.987 -6.282 -10.065 1.00 0.00 C ATOM 743 O PRO A 49 -1.459 -7.244 -10.672 1.00 0.00 O ATOM 744 CB PRO A 49 1.540 -6.335 -10.147 1.00 0.00 C ATOM 745 CG PRO A 49 2.588 -5.284 -10.028 1.00 0.00 C ATOM 746 CD PRO A 49 1.877 -4.060 -9.520 1.00 0.00 C ATOM 0 HA PRO A 49 0.130 -5.534 -11.669 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.380 -6.846 -9.197 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.821 -7.096 -10.875 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.376 -5.593 -9.342 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.061 -5.091 -10.991 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.893 -4.010 -8.431 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.342 -3.145 -9.887 1.00 0.00 H new ATOM 754 N PHE A 50 -1.532 -5.818 -8.938 1.00 0.00 N ATOM 755 CA PHE A 50 -2.762 -6.400 -8.376 1.00 0.00 C ATOM 756 C PHE A 50 -4.027 -5.834 -9.046 1.00 0.00 C ATOM 757 O PHE A 50 -5.052 -6.514 -9.131 1.00 0.00 O ATOM 758 CB PHE A 50 -2.827 -6.159 -6.862 1.00 0.00 C ATOM 759 CG PHE A 50 -1.848 -6.992 -6.068 1.00 0.00 C ATOM 760 CD1 PHE A 50 -2.189 -8.271 -5.657 1.00 0.00 C ATOM 761 CD2 PHE A 50 -0.598 -6.497 -5.730 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.306 -9.038 -4.926 1.00 0.00 C ATOM 763 CE2 PHE A 50 0.290 -7.261 -4.996 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.065 -8.533 -4.593 1.00 0.00 C ATOM 0 H PHE A 50 -1.146 -5.045 -8.396 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.729 -7.471 -8.574 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.637 -5.104 -6.663 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.837 -6.372 -6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.159 -8.672 -5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.315 -5.503 -6.044 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.585 -10.034 -4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.260 -6.863 -4.738 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.627 -9.132 -4.019 1.00 0.00 H new ATOM 774 N GLY A 51 -3.949 -4.589 -9.509 1.00 0.00 N ATOM 775 CA GLY A 51 -5.083 -3.955 -10.178 1.00 0.00 C ATOM 776 C GLY A 51 -4.704 -2.636 -10.842 1.00 0.00 C ATOM 777 O GLY A 51 -4.174 -2.628 -11.956 1.00 0.00 O ATOM 0 H GLY A 51 -3.118 -4.002 -9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.484 -4.635 -10.930 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.877 -3.778 -9.452 1.00 0.00 H new ATOM 781 N ARG A 52 -5.000 -1.523 -10.170 1.00 0.00 N ATOM 782 CA ARG A 52 -4.562 -0.197 -10.620 1.00 0.00 C ATOM 783 C ARG A 52 -4.735 0.861 -9.525 1.00 0.00 C ATOM 784 O ARG A 52 -5.764 0.915 -8.847 1.00 0.00 O ATOM 785 CB ARG A 52 -5.322 0.248 -11.877 1.00 0.00 C ATOM 786 CG ARG A 52 -5.019 1.687 -12.292 1.00 0.00 C ATOM 787 CD ARG A 52 -5.797 2.108 -13.537 1.00 0.00 C ATOM 788 NE ARG A 52 -5.953 3.563 -13.621 1.00 0.00 N ATOM 789 CZ ARG A 52 -6.036 4.237 -14.738 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.916 3.644 -15.883 1.00 0.00 N ATOM 791 NH2 ARG A 52 -6.233 5.512 -14.703 1.00 0.00 N ATOM 0 H ARG A 52 -5.544 -1.512 -9.307 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.502 -0.287 -10.857 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.070 -0.420 -12.700 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.393 0.147 -11.700 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.263 2.359 -11.469 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.951 1.791 -12.482 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.281 1.747 -14.426 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.780 1.638 -13.526 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.000 4.086 -12.747 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.754 2.638 -15.922 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.983 4.183 -16.746 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.323 5.990 -13.806 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.298 6.042 -15.572 1.00 0.00 H new ATOM 805 N ILE A 53 -3.729 1.718 -9.373 1.00 0.00 N ATOM 806 CA ILE A 53 -3.786 2.815 -8.401 1.00 0.00 C ATOM 807 C ILE A 53 -4.222 4.129 -9.067 1.00 0.00 C ATOM 808 O ILE A 53 -3.663 4.535 -10.089 1.00 0.00 O ATOM 809 CB ILE A 53 -2.418 3.049 -7.700 1.00 0.00 C ATOM 810 CG1 ILE A 53 -2.014 1.842 -6.831 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.457 4.320 -6.852 1.00 0.00 C ATOM 812 CD1 ILE A 53 -1.510 0.654 -7.612 1.00 0.00 C ATOM 0 H ILE A 53 -2.862 1.677 -9.909 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.521 2.516 -7.654 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.666 3.168 -8.480 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.240 2.156 -6.131 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.874 1.533 -6.237 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.490 4.466 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.677 5.176 -7.490 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.231 4.226 -6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.248 -0.149 -6.924 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.288 0.309 -8.293 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.629 0.943 -8.185 1.00 0.00 H new ATOM 824 N GLU A 54 -5.222 4.791 -8.485 1.00 0.00 N ATOM 825 CA GLU A 54 -5.633 6.127 -8.938 1.00 0.00 C ATOM 826 C GLU A 54 -4.652 7.192 -8.421 1.00 0.00 C ATOM 827 O GLU A 54 -4.083 7.972 -9.191 1.00 0.00 O ATOM 828 CB GLU A 54 -7.050 6.460 -8.441 1.00 0.00 C ATOM 829 CG GLU A 54 -8.111 5.423 -8.796 1.00 0.00 C ATOM 830 CD GLU A 54 -9.515 5.870 -8.408 1.00 0.00 C ATOM 831 OE1 GLU A 54 -9.681 6.432 -7.304 1.00 0.00 O ATOM 832 OE2 GLU A 54 -10.454 5.685 -9.215 1.00 0.00 O ATOM 0 H GLU A 54 -5.763 4.428 -7.700 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.629 6.127 -10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.022 6.575 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.349 7.422 -8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.079 5.227 -9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.880 4.484 -8.293 1.00 0.00 H new ATOM 839 N SER A 55 -4.468 7.211 -7.101 1.00 0.00 N ATOM 840 CA SER A 55 -3.567 8.167 -6.440 1.00 0.00 C ATOM 841 C SER A 55 -2.983 7.576 -5.152 1.00 0.00 C ATOM 842 O SER A 55 -3.609 6.733 -4.501 1.00 0.00 O ATOM 843 CB SER A 55 -4.313 9.469 -6.108 1.00 0.00 C ATOM 844 OG SER A 55 -5.358 9.241 -5.173 1.00 0.00 O ATOM 0 H SER A 55 -4.934 6.570 -6.459 1.00 0.00 H new ATOM 0 HA SER A 55 -2.751 8.381 -7.130 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.612 10.199 -5.703 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.726 9.897 -7.021 1.00 0.00 H new ATOM 0 HG SER A 55 -5.814 10.087 -4.979 1.00 0.00 H new ATOM 850 N ILE A 56 -1.776 8.007 -4.791 1.00 0.00 N ATOM 851 CA ILE A 56 -1.145 7.572 -3.540 1.00 0.00 C ATOM 852 C ILE A 56 -0.858 8.766 -2.618 1.00 0.00 C ATOM 853 O ILE A 56 -0.238 9.749 -3.027 1.00 0.00 O ATOM 854 CB ILE A 56 0.181 6.804 -3.789 1.00 0.00 C ATOM 855 CG1 ILE A 56 -0.073 5.563 -4.656 1.00 0.00 C ATOM 856 CG2 ILE A 56 0.834 6.407 -2.460 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.172 4.752 -4.946 1.00 0.00 C ATOM 0 H ILE A 56 -1.214 8.655 -5.343 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.855 6.899 -3.060 1.00 0.00 H new ATOM 0 HB ILE A 56 0.865 7.464 -4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.802 4.925 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.519 5.876 -5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.762 5.870 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.050 7.303 -1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.155 5.765 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.911 3.892 -5.563 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.895 5.372 -5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.608 4.406 -4.009 1.00 0.00 H new ATOM 869 N GLN A 57 -1.328 8.679 -1.378 1.00 0.00 N ATOM 870 CA GLN A 57 -1.016 9.679 -0.355 1.00 0.00 C ATOM 871 C GLN A 57 0.070 9.152 0.589 1.00 0.00 C ATOM 872 O GLN A 57 -0.117 8.147 1.269 1.00 0.00 O ATOM 873 CB GLN A 57 -2.282 10.039 0.440 1.00 0.00 C ATOM 874 CG GLN A 57 -2.045 11.023 1.589 1.00 0.00 C ATOM 875 CD GLN A 57 -1.527 12.386 1.136 1.00 0.00 C ATOM 876 OE1 GLN A 57 -0.795 13.056 1.857 1.00 0.00 O ATOM 877 NE2 GLN A 57 -1.910 12.816 -0.051 1.00 0.00 N ATOM 0 H GLN A 57 -1.930 7.923 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.644 10.578 -0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.017 10.466 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.716 9.124 0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.979 11.162 2.134 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.330 10.587 2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.519 12.239 -0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.597 13.726 -0.389 1.00 0.00 H new ATOM 886 N LEU A 58 1.207 9.831 0.630 1.00 0.00 N ATOM 887 CA LEU A 58 2.315 9.425 1.496 1.00 0.00 C ATOM 888 C LEU A 58 2.287 10.262 2.780 1.00 0.00 C ATOM 889 O LEU A 58 2.191 11.488 2.733 1.00 0.00 O ATOM 890 CB LEU A 58 3.656 9.598 0.752 1.00 0.00 C ATOM 891 CG LEU A 58 4.676 8.456 0.925 1.00 0.00 C ATOM 892 CD1 LEU A 58 5.093 8.298 2.384 1.00 0.00 C ATOM 893 CD2 LEU A 58 4.111 7.147 0.378 1.00 0.00 C ATOM 0 H LEU A 58 1.391 10.667 0.075 1.00 0.00 H new ATOM 0 HA LEU A 58 2.210 8.373 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.447 9.714 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.119 10.526 1.089 1.00 0.00 H new ATOM 0 HG LEU A 58 5.568 8.714 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.813 7.484 2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.548 9.224 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.216 8.073 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.845 6.351 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.199 6.891 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.886 7.263 -0.682 1.00 0.00 H new ATOM 905 N MET A 59 2.382 9.603 3.928 1.00 0.00 N ATOM 906 CA MET A 59 2.180 10.275 5.208 1.00 0.00 C ATOM 907 C MET A 59 3.511 10.792 5.776 1.00 0.00 C ATOM 908 O MET A 59 4.256 10.067 6.444 1.00 0.00 O ATOM 909 CB MET A 59 1.502 9.313 6.195 1.00 0.00 C ATOM 910 CG MET A 59 0.890 9.993 7.411 1.00 0.00 C ATOM 911 SD MET A 59 -0.385 11.186 6.958 1.00 0.00 S ATOM 912 CE MET A 59 -0.916 11.752 8.574 1.00 0.00 C ATOM 0 H MET A 59 2.597 8.608 4.001 1.00 0.00 H new ATOM 0 HA MET A 59 1.532 11.138 5.052 1.00 0.00 H new ATOM 0 HB2 MET A 59 0.721 8.763 5.670 1.00 0.00 H new ATOM 0 HB3 MET A 59 2.236 8.581 6.533 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.461 9.238 8.069 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.674 10.499 7.975 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.704 12.496 8.458 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.296 10.907 9.149 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.071 12.198 9.099 1.00 0.00 H new ATOM 1033 N LYS A 68 6.312 10.061 8.536 1.00 0.00 N ATOM 1034 CA LYS A 68 5.567 9.309 9.557 1.00 0.00 C ATOM 1035 C LYS A 68 5.707 7.789 9.352 1.00 0.00 C ATOM 1036 O LYS A 68 5.677 7.020 10.309 1.00 0.00 O ATOM 1037 CB LYS A 68 4.085 9.714 9.542 1.00 0.00 C ATOM 1038 CG LYS A 68 3.829 11.145 10.012 1.00 0.00 C ATOM 1039 CD LYS A 68 4.210 11.327 11.480 1.00 0.00 C ATOM 1040 CE LYS A 68 3.943 12.745 11.970 1.00 0.00 C ATOM 1041 NZ LYS A 68 4.316 12.916 13.399 1.00 0.00 N ATOM 0 HA LYS A 68 5.993 9.555 10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.698 9.600 8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.525 9.028 10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.402 11.839 9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.776 11.392 9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.647 10.621 12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.266 11.091 11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.506 13.452 11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.887 12.982 11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.119 13.894 13.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.761 12.259 13.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.329 12.715 13.520 1.00 0.00 H new ATOM 1055 N GLY A 69 5.851 7.365 8.097 1.00 0.00 N ATOM 1056 CA GLY A 69 6.083 5.950 7.803 1.00 0.00 C ATOM 1057 C GLY A 69 4.842 5.212 7.310 1.00 0.00 C ATOM 1058 O GLY A 69 4.830 3.981 7.241 1.00 0.00 O ATOM 0 H GLY A 69 5.812 7.971 7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.866 5.869 7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.454 5.458 8.702 1.00 0.00 H new ATOM 1062 N TYR A 70 3.796 5.956 6.959 1.00 0.00 N ATOM 1063 CA TYR A 70 2.556 5.354 6.446 1.00 0.00 C ATOM 1064 C TYR A 70 2.226 5.897 5.045 1.00 0.00 C ATOM 1065 O TYR A 70 2.728 6.947 4.643 1.00 0.00 O ATOM 1066 CB TYR A 70 1.374 5.639 7.391 1.00 0.00 C ATOM 1067 CG TYR A 70 1.736 5.651 8.863 1.00 0.00 C ATOM 1068 CD1 TYR A 70 1.836 4.473 9.593 1.00 0.00 C ATOM 1069 CD2 TYR A 70 1.975 6.851 9.521 1.00 0.00 C ATOM 1070 CE1 TYR A 70 2.161 4.493 10.936 1.00 0.00 C ATOM 1071 CE2 TYR A 70 2.299 6.877 10.864 1.00 0.00 C ATOM 1072 CZ TYR A 70 2.394 5.695 11.565 1.00 0.00 C ATOM 1073 OH TYR A 70 2.718 5.716 12.904 1.00 0.00 O ATOM 0 H TYR A 70 3.777 6.974 7.018 1.00 0.00 H new ATOM 0 HA TYR A 70 2.714 4.277 6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.940 6.604 7.129 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.603 4.887 7.225 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.657 3.527 9.103 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.906 7.779 8.973 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.232 3.569 11.490 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.477 7.819 11.361 1.00 0.00 H new ATOM 0 HH TYR A 70 2.852 6.643 13.194 1.00 0.00 H new ATOM 1083 N GLY A 71 1.390 5.175 4.309 1.00 0.00 N ATOM 1084 CA GLY A 71 0.924 5.641 3.012 1.00 0.00 C ATOM 1085 C GLY A 71 -0.471 5.118 2.673 1.00 0.00 C ATOM 1086 O GLY A 71 -0.740 3.924 2.796 1.00 0.00 O ATOM 0 H GLY A 71 1.022 4.266 4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.913 6.731 3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.626 5.323 2.241 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.361 6.013 2.260 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.726 5.636 1.877 1.00 0.00 C ATOM 1092 C PHE A 72 -2.859 5.517 0.349 1.00 0.00 C ATOM 1093 O PHE A 72 -2.863 6.519 -0.369 1.00 0.00 O ATOM 1094 CB PHE A 72 -3.731 6.662 2.420 1.00 0.00 C ATOM 1095 CG PHE A 72 -3.878 6.634 3.926 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -3.056 7.405 4.741 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -4.842 5.832 4.523 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -3.197 7.377 6.117 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -4.983 5.802 5.898 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.162 6.573 6.697 1.00 0.00 C ATOM 0 H PHE A 72 -1.165 7.011 2.180 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.944 4.661 2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.419 7.660 2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.705 6.479 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.299 8.033 4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.489 5.225 3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.554 7.983 6.738 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.737 5.174 6.348 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.273 6.548 7.771 1.00 0.00 H new ATOM 1110 N ILE A 73 -2.963 4.284 -0.141 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.024 4.016 -1.585 1.00 0.00 C ATOM 1112 C ILE A 73 -4.467 3.784 -2.059 1.00 0.00 C ATOM 1113 O ILE A 73 -5.188 2.958 -1.503 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.165 2.780 -1.951 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.711 2.993 -1.502 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.232 2.494 -3.453 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.183 1.790 -1.727 1.00 0.00 C ATOM 0 H ILE A 73 -3.007 3.447 0.440 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.629 4.898 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.567 1.913 -1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.297 3.847 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.702 3.247 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.621 1.622 -3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.265 2.300 -3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.858 3.356 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.193 2.018 -1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.206 0.938 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.206 1.547 -2.789 1.00 0.00 H new ATOM 1129 N THR A 74 -4.881 4.512 -3.092 1.00 0.00 N ATOM 1130 CA THR A 74 -6.249 4.396 -3.623 1.00 0.00 C ATOM 1131 C THR A 74 -6.286 3.582 -4.925 1.00 0.00 C ATOM 1132 O THR A 74 -5.627 3.925 -5.906 1.00 0.00 O ATOM 1133 CB THR A 74 -6.877 5.786 -3.889 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.816 6.598 -2.704 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.330 5.655 -4.339 1.00 0.00 C ATOM 0 H THR A 74 -4.296 5.189 -3.582 1.00 0.00 H new ATOM 0 HA THR A 74 -6.829 3.878 -2.859 1.00 0.00 H new ATOM 0 HB THR A 74 -6.305 6.262 -4.686 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.215 7.474 -2.887 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.746 6.646 -4.519 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.375 5.071 -5.258 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.908 5.154 -3.562 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.076 2.509 -4.928 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.260 1.664 -6.117 1.00 0.00 C ATOM 1145 C PHE A 75 -8.561 2.007 -6.853 1.00 0.00 C ATOM 1146 O PHE A 75 -9.533 2.445 -6.239 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.279 0.178 -5.725 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.956 -0.337 -5.226 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.499 0.000 -3.960 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -5.175 -1.169 -6.017 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.291 -0.478 -3.497 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.967 -1.649 -5.557 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.526 -1.304 -4.295 1.00 0.00 C ATOM 0 H PHE A 75 -7.606 2.199 -4.113 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.420 1.856 -6.784 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.032 0.026 -4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.585 -0.412 -6.589 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.096 0.643 -3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.518 -1.443 -7.004 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.944 -0.206 -2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.367 -2.293 -6.183 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.581 -1.681 -3.932 1.00 0.00 H new ATOM 1163 N SER A 76 -8.579 1.785 -8.166 1.00 0.00 N ATOM 1164 CA SER A 76 -9.767 2.076 -8.983 1.00 0.00 C ATOM 1165 C SER A 76 -10.843 0.997 -8.802 1.00 0.00 C ATOM 1166 O SER A 76 -11.951 1.117 -9.330 1.00 0.00 O ATOM 1167 CB SER A 76 -9.386 2.189 -10.469 1.00 0.00 C ATOM 1168 OG SER A 76 -10.503 2.544 -11.276 1.00 0.00 O ATOM 0 H SER A 76 -7.790 1.406 -8.690 1.00 0.00 H new ATOM 0 HA SER A 76 -10.175 3.029 -8.646 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.601 2.936 -10.587 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.977 1.239 -10.812 1.00 0.00 H new ATOM 0 HG SER A 76 -11.328 2.235 -10.847 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.506 -0.056 -8.060 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.432 -1.158 -7.795 1.00 0.00 C ATOM 1176 C ASP A 77 -11.275 -1.694 -6.360 1.00 0.00 C ATOM 1177 O ASP A 77 -10.177 -1.692 -5.797 1.00 0.00 O ATOM 1178 CB ASP A 77 -11.203 -2.281 -8.809 1.00 0.00 C ATOM 1179 CG ASP A 77 -12.071 -3.497 -8.533 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -13.309 -3.387 -8.618 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -11.518 -4.563 -8.198 1.00 0.00 O ATOM 0 H ASP A 77 -9.589 -0.170 -7.627 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.449 -0.780 -7.896 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.412 -1.909 -9.812 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.154 -2.575 -8.790 1.00 0.00 H new ATOM 1186 N SER A 78 -12.382 -2.158 -5.784 1.00 0.00 N ATOM 1187 CA SER A 78 -12.398 -2.670 -4.407 1.00 0.00 C ATOM 1188 C SER A 78 -11.698 -4.031 -4.290 1.00 0.00 C ATOM 1189 O SER A 78 -10.935 -4.269 -3.352 1.00 0.00 O ATOM 1190 CB SER A 78 -13.841 -2.794 -3.899 1.00 0.00 C ATOM 1191 OG SER A 78 -14.591 -3.717 -4.680 1.00 0.00 O ATOM 0 H SER A 78 -13.289 -2.192 -6.250 1.00 0.00 H new ATOM 0 HA SER A 78 -11.851 -1.954 -3.794 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.835 -3.117 -2.858 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.323 -1.817 -3.926 1.00 0.00 H new ATOM 0 HG SER A 78 -15.505 -3.775 -4.330 1.00 0.00 H new ATOM 1197 N GLU A 79 -11.954 -4.919 -5.248 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.395 -6.276 -5.215 1.00 0.00 C ATOM 1199 C GLU A 79 -9.875 -6.261 -5.443 1.00 0.00 C ATOM 1200 O GLU A 79 -9.138 -7.025 -4.816 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.093 -7.164 -6.255 1.00 0.00 C ATOM 1202 CG GLU A 79 -13.603 -7.252 -6.053 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.280 -8.200 -7.029 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -14.573 -7.780 -8.171 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -14.531 -9.370 -6.654 1.00 0.00 O ATOM 0 H GLU A 79 -12.544 -4.727 -6.058 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.574 -6.692 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.888 -6.774 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.668 -8.167 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.809 -7.581 -5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.037 -6.258 -6.161 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.413 -5.384 -6.333 1.00 0.00 N ATOM 1213 CA CYS A 80 -7.972 -5.194 -6.566 1.00 0.00 C ATOM 1214 C CYS A 80 -7.236 -4.854 -5.255 1.00 0.00 C ATOM 1215 O CYS A 80 -6.177 -5.410 -4.954 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.739 -4.070 -7.585 1.00 0.00 C ATOM 1217 SG CYS A 80 -8.501 -4.352 -9.205 1.00 0.00 S ATOM 0 H CYS A 80 -10.012 -4.791 -6.908 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.575 -6.130 -6.958 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.126 -3.138 -7.173 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.666 -3.937 -7.721 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.762 -4.626 -9.049 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.818 -3.937 -4.482 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.261 -3.540 -3.183 1.00 0.00 C ATOM 1225 C ALA A 81 -7.355 -4.685 -2.162 1.00 0.00 C ATOM 1226 O ALA A 81 -6.426 -4.925 -1.387 1.00 0.00 O ATOM 1227 CB ALA A 81 -7.982 -2.300 -2.664 1.00 0.00 C ATOM 0 H ALA A 81 -8.679 -3.451 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.205 -3.306 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.563 -2.012 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.856 -1.482 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.043 -2.518 -2.547 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.488 -5.385 -2.176 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.718 -6.529 -1.285 1.00 0.00 C ATOM 1235 C LYS A 82 -7.645 -7.614 -1.489 1.00 0.00 C ATOM 1236 O LYS A 82 -7.103 -8.164 -0.527 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.115 -7.116 -1.546 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.529 -8.216 -0.570 1.00 0.00 C ATOM 1239 CD LYS A 82 -11.862 -8.851 -0.965 1.00 0.00 C ATOM 1240 CE LYS A 82 -12.994 -7.826 -1.033 1.00 0.00 C ATOM 1241 NZ LYS A 82 -13.292 -7.219 0.293 1.00 0.00 N ATOM 0 H LYS A 82 -9.269 -5.180 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.656 -6.181 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.849 -6.311 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.144 -7.516 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.756 -8.984 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.608 -7.800 0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.757 -9.338 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.120 -9.627 -0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.726 -7.039 -1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.893 -8.307 -1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.099 -6.569 0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.525 -7.970 0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.460 -6.693 0.629 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.342 -7.907 -2.753 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.318 -8.897 -3.107 1.00 0.00 C ATOM 1257 C LYS A 83 -4.915 -8.446 -2.662 1.00 0.00 C ATOM 1258 O LYS A 83 -4.175 -9.209 -2.032 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.325 -9.142 -4.622 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.318 -10.195 -5.078 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.269 -10.321 -6.594 1.00 0.00 C ATOM 1262 CE LYS A 83 -4.228 -11.343 -7.031 1.00 0.00 C ATOM 1263 NZ LYS A 83 -4.103 -11.406 -8.506 1.00 0.00 N ATOM 0 H LYS A 83 -7.794 -7.470 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.558 -9.823 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.325 -9.452 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.113 -8.203 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.328 -9.935 -4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.580 -11.159 -4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.250 -10.615 -6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.037 -9.351 -7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.262 -11.087 -6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.500 -12.326 -6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.385 -12.113 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.018 -11.675 -8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.818 -10.474 -8.870 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.553 -7.206 -2.999 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.253 -6.642 -2.605 1.00 0.00 C ATOM 1279 C ALA A 84 -3.042 -6.739 -1.088 1.00 0.00 C ATOM 1280 O ALA A 84 -1.990 -7.176 -0.622 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.142 -5.194 -3.068 1.00 0.00 C ATOM 0 H ALA A 84 -5.138 -6.572 -3.543 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.471 -7.227 -3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.175 -4.790 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.234 -5.151 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.938 -4.604 -2.613 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.057 -6.338 -0.330 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.039 -6.474 1.129 1.00 0.00 C ATOM 1289 C LEU A 85 -3.836 -7.943 1.538 1.00 0.00 C ATOM 1290 O LEU A 85 -2.956 -8.265 2.336 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.358 -5.921 1.707 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.503 -5.930 3.246 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.543 -4.908 3.682 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -5.895 -7.316 3.770 1.00 0.00 C ATOM 0 H LEU A 85 -4.908 -5.914 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.204 -5.902 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.476 -4.894 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.182 -6.497 1.285 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.532 -5.669 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.636 -4.924 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.234 -3.914 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.505 -5.153 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.987 -7.282 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.849 -7.613 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.128 -8.040 3.494 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.649 -8.824 0.961 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.659 -10.249 1.316 1.00 0.00 C ATOM 1308 C GLU A 86 -3.252 -10.880 1.209 1.00 0.00 C ATOM 1309 O GLU A 86 -2.889 -11.747 2.005 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.663 -10.983 0.404 1.00 0.00 C ATOM 1311 CG GLU A 86 -6.290 -12.244 1.003 1.00 0.00 C ATOM 1312 CD GLU A 86 -5.336 -13.423 1.100 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -4.868 -13.903 0.046 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -5.054 -13.882 2.229 1.00 0.00 O ATOM 0 H GLU A 86 -5.320 -8.575 0.235 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.966 -10.348 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.462 -10.290 0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.156 -11.254 -0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.667 -12.012 1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.148 -12.533 0.397 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.458 -10.433 0.235 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.106 -10.973 0.029 1.00 0.00 C ATOM 1323 C GLN A 87 -0.021 -10.160 0.761 1.00 0.00 C ATOM 1324 O GLN A 87 0.884 -10.728 1.374 1.00 0.00 O ATOM 1325 CB GLN A 87 -0.778 -11.027 -1.472 1.00 0.00 C ATOM 1326 CG GLN A 87 -1.514 -12.125 -2.235 1.00 0.00 C ATOM 1327 CD GLN A 87 -0.993 -12.305 -3.652 1.00 0.00 C ATOM 1328 OE1 GLN A 87 0.178 -12.062 -3.935 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -1.852 -12.734 -4.554 1.00 0.00 N ATOM 0 H GLN A 87 -2.723 -9.701 -0.424 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.104 -11.978 0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.021 -10.064 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.295 -11.173 -1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.416 -13.066 -1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.577 -11.887 -2.271 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.818 -12.927 -4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.552 -12.873 -5.519 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.119 -8.835 0.702 1.00 0.00 N ATOM 1339 CA LEU A 88 0.967 -7.959 1.164 1.00 0.00 C ATOM 1340 C LEU A 88 0.888 -7.626 2.663 1.00 0.00 C ATOM 1341 O LEU A 88 1.875 -7.178 3.250 1.00 0.00 O ATOM 1342 CB LEU A 88 0.981 -6.668 0.339 1.00 0.00 C ATOM 1343 CG LEU A 88 1.154 -6.876 -1.177 1.00 0.00 C ATOM 1344 CD1 LEU A 88 1.021 -5.553 -1.923 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.497 -7.544 -1.486 1.00 0.00 C ATOM 0 H LEU A 88 -0.934 -8.340 0.341 1.00 0.00 H new ATOM 0 HA LEU A 88 1.896 -8.510 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.049 -6.131 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.789 -6.031 0.699 1.00 0.00 H new ATOM 0 HG LEU A 88 0.361 -7.540 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.147 -5.724 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.035 -5.128 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.786 -4.860 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.596 -7.680 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.309 -6.913 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.543 -8.514 -0.992 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.268 -7.836 3.288 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.404 -7.569 4.724 1.00 0.00 C ATOM 1359 C ASN A 89 0.374 -8.612 5.545 1.00 0.00 C ATOM 1360 O ASN A 89 -0.019 -9.777 5.631 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.879 -7.542 5.138 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.069 -7.030 6.555 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -1.251 -6.270 7.067 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -3.153 -7.417 7.191 1.00 0.00 N ATOM 0 H ASN A 89 -1.113 -8.184 2.835 1.00 0.00 H new ATOM 0 HA ASN A 89 0.021 -6.586 4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.437 -6.909 4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.295 -8.546 5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.334 -7.085 8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.812 -8.049 6.737 1.00 0.00 H new ATOM 1371 N GLY A 90 1.488 -8.178 6.133 1.00 0.00 N ATOM 1372 CA GLY A 90 2.390 -9.085 6.842 1.00 0.00 C ATOM 1373 C GLY A 90 3.692 -9.320 6.078 1.00 0.00 C ATOM 1374 O GLY A 90 4.666 -9.834 6.631 1.00 0.00 O ATOM 0 H GLY A 90 1.788 -7.203 6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.617 -8.673 7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.889 -10.039 7.004 1.00 0.00 H new ATOM 1378 N PHE A 91 3.704 -8.927 4.805 1.00 0.00 N ATOM 1379 CA PHE A 91 4.881 -9.081 3.940 1.00 0.00 C ATOM 1380 C PHE A 91 6.058 -8.213 4.414 1.00 0.00 C ATOM 1381 O PHE A 91 5.886 -7.040 4.748 1.00 0.00 O ATOM 1382 CB PHE A 91 4.506 -8.717 2.493 1.00 0.00 C ATOM 1383 CG PHE A 91 5.678 -8.621 1.542 1.00 0.00 C ATOM 1384 CD1 PHE A 91 6.279 -9.763 1.037 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.167 -7.382 1.144 1.00 0.00 C ATOM 1386 CE1 PHE A 91 7.342 -9.673 0.157 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.229 -7.289 0.268 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.818 -8.434 -0.228 1.00 0.00 C ATOM 0 H PHE A 91 2.904 -8.495 4.343 1.00 0.00 H new ATOM 0 HA PHE A 91 5.202 -10.121 3.990 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.808 -9.464 2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.980 -7.762 2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.913 -10.735 1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.710 -6.481 1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.800 -10.571 -0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.600 -6.319 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.648 -8.362 -0.915 1.00 0.00 H new ATOM 1398 N GLU A 92 7.255 -8.796 4.440 1.00 0.00 N ATOM 1399 CA GLU A 92 8.465 -8.053 4.818 1.00 0.00 C ATOM 1400 C GLU A 92 8.900 -7.090 3.693 1.00 0.00 C ATOM 1401 O GLU A 92 9.602 -7.477 2.758 1.00 0.00 O ATOM 1402 CB GLU A 92 9.612 -9.018 5.174 1.00 0.00 C ATOM 1403 CG GLU A 92 9.917 -10.053 4.093 1.00 0.00 C ATOM 1404 CD GLU A 92 11.171 -10.861 4.380 1.00 0.00 C ATOM 1405 OE1 GLU A 92 12.285 -10.321 4.198 1.00 0.00 O ATOM 1406 OE2 GLU A 92 11.053 -12.039 4.776 1.00 0.00 O ATOM 0 H GLU A 92 7.417 -9.775 4.206 1.00 0.00 H new ATOM 0 HA GLU A 92 8.228 -7.459 5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.513 -8.437 5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.361 -9.538 6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.069 -10.731 3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.030 -9.546 3.134 1.00 0.00 H new ATOM 1413 N LEU A 93 8.476 -5.834 3.789 1.00 0.00 N ATOM 1414 CA LEU A 93 8.781 -4.835 2.760 1.00 0.00 C ATOM 1415 C LEU A 93 10.284 -4.500 2.716 1.00 0.00 C ATOM 1416 O LEU A 93 11.018 -4.966 1.843 1.00 0.00 O ATOM 1417 CB LEU A 93 7.963 -3.560 3.009 1.00 0.00 C ATOM 1418 CG LEU A 93 8.253 -2.400 2.043 1.00 0.00 C ATOM 1419 CD1 LEU A 93 7.909 -2.786 0.604 1.00 0.00 C ATOM 1420 CD2 LEU A 93 7.499 -1.140 2.461 1.00 0.00 C ATOM 0 H LEU A 93 7.920 -5.480 4.567 1.00 0.00 H new ATOM 0 HA LEU A 93 8.509 -5.259 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.904 -3.809 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.151 -3.220 4.027 1.00 0.00 H new ATOM 0 HG LEU A 93 9.321 -2.186 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.124 -1.948 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.507 -3.647 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.851 -3.039 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.721 -0.334 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.427 -1.339 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.809 -0.846 3.464 1.00 0.00 H new ATOM 1432 N ALA A 94 10.733 -3.695 3.669 1.00 0.00 N ATOM 1433 CA ALA A 94 12.137 -3.277 3.741 1.00 0.00 C ATOM 1434 C ALA A 94 12.852 -3.962 4.911 1.00 0.00 C ATOM 1435 O ALA A 94 13.582 -3.327 5.674 1.00 0.00 O ATOM 1436 CB ALA A 94 12.209 -1.764 3.875 1.00 0.00 C ATOM 0 H ALA A 94 10.145 -3.313 4.410 1.00 0.00 H new ATOM 0 HA ALA A 94 12.644 -3.578 2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.252 -1.453 3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.736 -1.299 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.691 -1.454 4.782 1.00 0.00 H new ATOM 1442 N GLY A 95 12.648 -5.271 5.033 1.00 0.00 N ATOM 1443 CA GLY A 95 13.170 -6.014 6.178 1.00 0.00 C ATOM 1444 C GLY A 95 12.244 -5.929 7.388 1.00 0.00 C ATOM 1445 O GLY A 95 12.550 -6.452 8.462 1.00 0.00 O ATOM 0 H GLY A 95 12.130 -5.836 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.307 -7.059 5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.152 -5.624 6.445 1.00 0.00 H new ATOM 1449 N ARG A 96 11.102 -5.271 7.196 1.00 0.00 N ATOM 1450 CA ARG A 96 10.092 -5.096 8.244 1.00 0.00 C ATOM 1451 C ARG A 96 8.711 -5.528 7.729 1.00 0.00 C ATOM 1452 O ARG A 96 8.367 -5.260 6.575 1.00 0.00 O ATOM 1453 CB ARG A 96 10.042 -3.623 8.686 1.00 0.00 C ATOM 1454 CG ARG A 96 11.285 -3.155 9.435 1.00 0.00 C ATOM 1455 CD ARG A 96 11.280 -1.645 9.662 1.00 0.00 C ATOM 1456 NE ARG A 96 12.472 -1.203 10.382 1.00 0.00 N ATOM 1457 CZ ARG A 96 12.743 0.040 10.669 1.00 0.00 C ATOM 1458 NH1 ARG A 96 11.917 0.988 10.367 1.00 0.00 N ATOM 1459 NH2 ARG A 96 13.843 0.331 11.276 1.00 0.00 N ATOM 0 H ARG A 96 10.848 -4.842 6.306 1.00 0.00 H new ATOM 0 HA ARG A 96 10.363 -5.718 9.097 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.904 -2.995 7.806 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.170 -3.475 9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.343 -3.666 10.396 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.175 -3.434 8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.224 -1.133 8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.390 -1.365 10.225 1.00 0.00 H new ATOM 0 HE ARG A 96 13.138 -1.916 10.681 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.039 0.769 9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.144 1.955 10.598 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.497 -0.410 11.530 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.059 1.302 11.502 1.00 0.00 H new ATOM 1473 N PRO A 97 7.909 -6.213 8.566 1.00 0.00 N ATOM 1474 CA PRO A 97 6.532 -6.600 8.206 1.00 0.00 C ATOM 1475 C PRO A 97 5.670 -5.383 7.829 1.00 0.00 C ATOM 1476 O PRO A 97 5.673 -4.363 8.525 1.00 0.00 O ATOM 1477 CB PRO A 97 5.998 -7.279 9.479 1.00 0.00 C ATOM 1478 CG PRO A 97 6.931 -6.853 10.568 1.00 0.00 C ATOM 1479 CD PRO A 97 8.270 -6.667 9.919 1.00 0.00 C ATOM 0 HA PRO A 97 6.504 -7.249 7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.975 -6.968 9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.986 -8.364 9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.591 -5.927 11.033 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.981 -7.605 11.355 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.877 -5.931 10.445 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.842 -7.594 9.896 1.00 0.00 H new ATOM 1487 N MET A 98 4.923 -5.498 6.736 1.00 0.00 N ATOM 1488 CA MET A 98 4.148 -4.375 6.211 1.00 0.00 C ATOM 1489 C MET A 98 2.679 -4.454 6.647 1.00 0.00 C ATOM 1490 O MET A 98 1.985 -5.427 6.365 1.00 0.00 O ATOM 1491 CB MET A 98 4.265 -4.334 4.677 1.00 0.00 C ATOM 1492 CG MET A 98 3.491 -3.199 4.023 1.00 0.00 C ATOM 1493 SD MET A 98 3.992 -2.907 2.316 1.00 0.00 S ATOM 1494 CE MET A 98 3.707 -4.513 1.576 1.00 0.00 C ATOM 0 H MET A 98 4.837 -6.358 6.194 1.00 0.00 H new ATOM 0 HA MET A 98 4.557 -3.452 6.622 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.317 -4.245 4.406 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.911 -5.282 4.271 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.426 -3.428 4.050 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.635 -2.286 4.601 1.00 0.00 H new ATOM 0 HE1 MET A 98 3.248 -4.386 0.596 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.657 -5.037 1.467 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.043 -5.095 2.215 1.00 0.00 H new ATOM 1504 N LYS A 99 2.217 -3.411 7.334 1.00 0.00 N ATOM 1505 CA LYS A 99 0.837 -3.346 7.823 1.00 0.00 C ATOM 1506 C LYS A 99 -0.092 -2.749 6.760 1.00 0.00 C ATOM 1507 O LYS A 99 -0.125 -1.534 6.564 1.00 0.00 O ATOM 1508 CB LYS A 99 0.777 -2.496 9.105 1.00 0.00 C ATOM 1509 CG LYS A 99 1.418 -3.148 10.329 1.00 0.00 C ATOM 1510 CD LYS A 99 0.628 -4.366 10.807 1.00 0.00 C ATOM 1511 CE LYS A 99 1.184 -4.925 12.115 1.00 0.00 C ATOM 1512 NZ LYS A 99 0.364 -6.057 12.622 1.00 0.00 N ATOM 0 H LYS A 99 2.781 -2.593 7.567 1.00 0.00 H new ATOM 0 HA LYS A 99 0.502 -4.360 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.271 -1.543 8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.266 -2.276 9.331 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.438 -3.449 10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.483 -2.418 11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.417 -4.090 10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.655 -5.140 10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.210 -5.259 11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.216 -4.134 12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.772 -6.410 13.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.609 -5.732 12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.355 -6.822 11.917 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.823 -3.617 6.059 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.762 -3.188 5.019 1.00 0.00 C ATOM 1528 C VAL A 100 -3.211 -3.451 5.450 1.00 0.00 C ATOM 1529 O VAL A 100 -3.685 -4.583 5.403 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.499 -3.918 3.677 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.379 -3.349 2.567 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.023 -3.844 3.295 1.00 0.00 C ATOM 0 H VAL A 100 -0.783 -4.627 6.193 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.609 -2.118 4.876 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.759 -4.968 3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.176 -3.877 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.428 -3.474 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.162 -2.289 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.135 -4.364 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.274 -2.800 3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.578 -4.315 4.073 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.904 -2.404 5.879 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.297 -2.546 6.290 1.00 0.00 C ATOM 1544 C GLY A 101 -6.245 -1.684 5.465 1.00 0.00 C ATOM 1545 O GLY A 101 -5.940 -0.536 5.165 1.00 0.00 O ATOM 0 H GLY A 101 -3.531 -1.457 5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.593 -3.591 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.390 -2.277 7.342 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.404 -2.232 5.103 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.393 -1.497 4.296 1.00 0.00 C ATOM 1551 C HIS A 102 -9.160 -0.464 5.138 1.00 0.00 C ATOM 1552 O HIS A 102 -10.391 -0.444 5.138 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.368 -2.480 3.622 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.017 -3.453 4.561 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -11.009 -3.100 5.448 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -9.813 -4.779 4.743 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -11.385 -4.161 6.135 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -10.676 -5.192 5.725 1.00 0.00 N ATOM 0 H HIS A 102 -7.686 -3.180 5.352 1.00 0.00 H new ATOM 0 HA HIS A 102 -7.852 -0.950 3.524 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.146 -1.910 3.114 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -8.830 -3.038 2.855 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -11.394 -2.162 5.557 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -9.103 -5.396 4.213 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -12.144 -4.181 6.903 1.00 0.00 H new