USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 689 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 71 GLN : amide:sc= 0 X(o=-3.3,f=-3.1) USER MOD Set 1.2: A 73 HIS : no HE2:sc= -3.27! C(o=-3.3!,f=-4.9!) USER MOD Set 2.1: A 36 LYS NZ :NH3+ 158:sc= -0.0318 (180deg=-0.29) USER MOD Set 2.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 35:sc= 0.102 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 160:sc= 0 USER MOD Single : A 44 GLN :FLIP amide:sc=-0.00487 F(o=-1,f=-0.0049) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -0.0565 (180deg=-0.289) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -70:sc= -0.0998 USER MOD Single : A 49 THR OG1 : rot -92:sc= -2.18! USER MOD Single : A 50 MET CE :methyl -114:sc= 0 (180deg=-0.342) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.0513 (180deg=-0.293) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0594 USER MOD Single : A 59 GLN : amide:sc= 0.00485 X(o=0.0049,f=-0.17) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 159:sc= -0.18 (180deg=-0.764) USER MOD Single : A 63 THR OG1 : rot -56:sc= -1.19 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -136:sc= -0.61 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.16) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= -0.0502 (180deg=-0.295) USER MOD Single : A 96 HIS : no HE2:sc= -1.13 X(o=-1.1,f=-0.98) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot -101:sc= -1.07! USER MOD Single : A 101 THR OG1 : rot 16:sc= -1.44! USER MOD Single : A 102 MET CE :methyl -123:sc= -4.63! (180deg=-10.9!) USER MOD Single : A 104 TYR OH : rot 180:sc= -2.86! USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -11.697 3.060 1.611 1.00 0.00 N ATOM 348 CA THR A 26 -12.229 1.785 1.157 1.00 0.00 C ATOM 349 C THR A 26 -11.816 0.664 2.090 1.00 0.00 C ATOM 350 O THR A 26 -10.627 0.411 2.267 1.00 0.00 O ATOM 351 CB THR A 26 -11.728 1.451 -0.258 1.00 0.00 C ATOM 352 OG1 THR A 26 -12.060 2.512 -1.161 1.00 0.00 O ATOM 353 CG2 THR A 26 -12.333 0.147 -0.756 1.00 0.00 C ATOM 0 HA THR A 26 -13.315 1.875 1.148 1.00 0.00 H new ATOM 0 HB THR A 26 -10.645 1.337 -0.215 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.000 3.371 -0.693 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.963 -0.066 -1.759 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.051 -0.664 -0.085 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.419 0.236 -0.782 1.00 0.00 H new ATOM 361 N LEU A 27 -12.794 -0.041 2.647 1.00 0.00 N ATOM 362 CA LEU A 27 -12.508 -1.277 3.340 1.00 0.00 C ATOM 363 C LEU A 27 -12.216 -2.361 2.322 1.00 0.00 C ATOM 364 O LEU A 27 -13.020 -3.268 2.102 1.00 0.00 O ATOM 365 CB LEU A 27 -13.667 -1.689 4.248 1.00 0.00 C ATOM 366 CG LEU A 27 -13.256 -2.543 5.451 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.498 -3.777 4.996 1.00 0.00 C ATOM 368 CD2 LEU A 27 -12.396 -1.734 6.403 1.00 0.00 C ATOM 0 H LEU A 27 -13.779 0.224 2.630 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.636 -1.129 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.166 -0.790 4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.396 -2.243 3.657 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.161 -2.858 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.215 -4.371 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.133 -4.373 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.601 -3.474 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.112 -2.354 7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.499 -1.396 5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.959 -0.870 6.757 1.00 0.00 H new ATOM 380 N VAL A 28 -11.062 -2.242 1.689 1.00 0.00 N ATOM 381 CA VAL A 28 -10.669 -3.166 0.644 1.00 0.00 C ATOM 382 C VAL A 28 -10.165 -4.455 1.255 1.00 0.00 C ATOM 383 O VAL A 28 -9.471 -4.445 2.271 1.00 0.00 O ATOM 384 CB VAL A 28 -9.578 -2.570 -0.265 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.719 -1.601 0.521 1.00 0.00 C ATOM 386 CG2 VAL A 28 -8.723 -3.674 -0.869 1.00 0.00 C ATOM 0 H VAL A 28 -10.379 -1.510 1.883 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.550 -3.363 0.033 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.059 -2.029 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.951 -1.185 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.342 -0.795 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.246 -2.125 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.958 -3.233 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.246 -4.242 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.352 -4.338 -1.461 1.00 0.00 H new ATOM 396 N ARG A 29 -10.545 -5.562 0.654 1.00 0.00 N ATOM 397 CA ARG A 29 -10.302 -6.856 1.253 1.00 0.00 C ATOM 398 C ARG A 29 -9.606 -7.782 0.260 1.00 0.00 C ATOM 399 O ARG A 29 -10.234 -8.657 -0.335 1.00 0.00 O ATOM 400 CB ARG A 29 -11.626 -7.457 1.730 1.00 0.00 C ATOM 401 CG ARG A 29 -12.497 -6.466 2.495 1.00 0.00 C ATOM 402 CD ARG A 29 -13.839 -7.077 2.864 1.00 0.00 C ATOM 403 NE ARG A 29 -14.597 -7.486 1.684 1.00 0.00 N ATOM 404 CZ ARG A 29 -15.812 -8.023 1.738 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.406 -8.217 2.909 1.00 0.00 N ATOM 406 NH2 ARG A 29 -16.437 -8.366 0.618 1.00 0.00 N ATOM 0 H ARG A 29 -11.022 -5.592 -0.247 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.643 -6.736 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.181 -7.827 0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.418 -8.316 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.979 -6.147 3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.656 -5.575 1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.679 -7.941 3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.421 -6.355 3.436 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.170 -7.352 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.930 -7.954 3.772 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.338 -8.629 2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.985 -8.218 -0.284 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.369 -8.778 0.660 1.00 0.00 H new ATOM 420 N PRO A 30 -8.299 -7.558 0.034 1.00 0.00 N ATOM 421 CA PRO A 30 -7.565 -8.168 -1.082 1.00 0.00 C ATOM 422 C PRO A 30 -7.527 -9.688 -1.001 1.00 0.00 C ATOM 423 O PRO A 30 -7.471 -10.263 0.087 1.00 0.00 O ATOM 424 CB PRO A 30 -6.148 -7.593 -0.944 1.00 0.00 C ATOM 425 CG PRO A 30 -6.306 -6.372 -0.109 1.00 0.00 C ATOM 426 CD PRO A 30 -7.440 -6.661 0.828 1.00 0.00 C ATOM 0 HA PRO A 30 -8.039 -7.947 -2.038 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.476 -8.309 -0.472 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.723 -7.352 -1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.391 -6.153 0.441 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.522 -5.501 -0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.095 -7.138 1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.965 -5.752 1.120 1.00 0.00 H new ATOM 434 N LYS A 31 -7.520 -10.333 -2.166 1.00 0.00 N ATOM 435 CA LYS A 31 -7.253 -11.763 -2.250 1.00 0.00 C ATOM 436 C LYS A 31 -5.949 -12.100 -1.531 1.00 0.00 C ATOM 437 O LYS A 31 -4.951 -11.399 -1.700 1.00 0.00 O ATOM 438 CB LYS A 31 -7.170 -12.195 -3.718 1.00 0.00 C ATOM 439 CG LYS A 31 -7.132 -13.702 -3.916 1.00 0.00 C ATOM 440 CD LYS A 31 -8.477 -14.344 -3.613 1.00 0.00 C ATOM 441 CE LYS A 31 -9.546 -13.899 -4.599 1.00 0.00 C ATOM 442 NZ LYS A 31 -10.866 -14.521 -4.307 1.00 0.00 N ATOM 0 H LYS A 31 -7.697 -9.885 -3.065 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.068 -12.301 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.028 -11.789 -4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.278 -11.757 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.845 -13.927 -4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.368 -14.135 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.379 -15.429 -3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.785 -14.084 -2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.641 -12.814 -4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.238 -14.161 -5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.566 -14.192 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.782 -15.556 -4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.173 -14.251 -3.351 1.00 0.00 H new ATOM 456 N PRO A 32 -5.953 -13.158 -0.695 1.00 0.00 N ATOM 457 CA PRO A 32 -4.820 -13.493 0.173 1.00 0.00 C ATOM 458 C PRO A 32 -3.467 -13.322 -0.514 1.00 0.00 C ATOM 459 O PRO A 32 -2.961 -14.244 -1.154 1.00 0.00 O ATOM 460 CB PRO A 32 -5.075 -14.962 0.501 1.00 0.00 C ATOM 461 CG PRO A 32 -6.559 -15.086 0.507 1.00 0.00 C ATOM 462 CD PRO A 32 -7.074 -14.103 -0.515 1.00 0.00 C ATOM 0 HA PRO A 32 -4.763 -12.839 1.043 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.624 -15.620 -0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.649 -15.234 1.467 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.865 -16.102 0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.963 -14.866 1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.333 -14.598 -1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.972 -13.595 -0.164 1.00 0.00 H new ATOM 470 N LEU A 33 -2.889 -12.133 -0.367 1.00 0.00 N ATOM 471 CA LEU A 33 -1.578 -11.838 -0.935 1.00 0.00 C ATOM 472 C LEU A 33 -0.837 -10.817 -0.082 1.00 0.00 C ATOM 473 O LEU A 33 0.335 -11.000 0.245 1.00 0.00 O ATOM 474 CB LEU A 33 -1.719 -11.309 -2.367 1.00 0.00 C ATOM 475 CG LEU A 33 -2.039 -12.370 -3.424 1.00 0.00 C ATOM 476 CD1 LEU A 33 -2.179 -11.726 -4.795 1.00 0.00 C ATOM 477 CD2 LEU A 33 -0.961 -13.444 -3.448 1.00 0.00 C ATOM 0 H LEU A 33 -3.310 -11.356 0.143 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.004 -12.764 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.505 -10.554 -2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.791 -10.809 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.987 -12.841 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.406 -12.493 -5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.985 -10.993 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.246 -11.230 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.206 -14.189 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.001 -12.989 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.904 -13.925 -2.471 1.00 0.00 H new ATOM 489 N LEU A 34 -1.523 -9.735 0.266 1.00 0.00 N ATOM 490 CA LEU A 34 -0.899 -8.630 0.974 1.00 0.00 C ATOM 491 C LEU A 34 -0.976 -8.872 2.466 1.00 0.00 C ATOM 492 O LEU A 34 -0.205 -8.312 3.241 1.00 0.00 O ATOM 493 CB LEU A 34 -1.593 -7.309 0.628 1.00 0.00 C ATOM 494 CG LEU A 34 -1.255 -6.733 -0.749 1.00 0.00 C ATOM 495 CD1 LEU A 34 0.244 -6.515 -0.878 1.00 0.00 C ATOM 496 CD2 LEU A 34 -1.763 -7.645 -1.857 1.00 0.00 C ATOM 0 H LEU A 34 -2.515 -9.602 0.067 1.00 0.00 H new ATOM 0 HA LEU A 34 0.145 -8.565 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.671 -7.458 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.332 -6.571 1.386 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.755 -5.770 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.469 -6.105 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.578 -5.817 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.762 -7.466 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.511 -7.215 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.297 -8.626 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.845 -7.748 -1.776 1.00 0.00 H new ATOM 508 N LEU A 35 -1.936 -9.696 2.860 1.00 0.00 N ATOM 509 CA LEU A 35 -2.255 -9.871 4.263 1.00 0.00 C ATOM 510 C LEU A 35 -1.476 -11.044 4.843 1.00 0.00 C ATOM 511 O LEU A 35 -1.271 -11.130 6.052 1.00 0.00 O ATOM 512 CB LEU A 35 -3.759 -10.084 4.445 1.00 0.00 C ATOM 513 CG LEU A 35 -4.623 -9.535 3.308 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.739 -10.564 2.197 1.00 0.00 C ATOM 515 CD2 LEU A 35 -5.999 -9.143 3.818 1.00 0.00 C ATOM 0 H LEU A 35 -2.507 -10.253 2.224 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.967 -8.967 4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.952 -11.152 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.069 -9.614 5.378 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.143 -8.641 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.356 -10.163 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.746 -10.797 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.198 -11.472 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.596 -8.755 2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.492 -10.017 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.898 -8.375 4.585 1.00 0.00 H new ATOM 527 N LYS A 36 -0.986 -11.909 3.963 1.00 0.00 N ATOM 528 CA LYS A 36 0.104 -12.808 4.312 1.00 0.00 C ATOM 529 C LYS A 36 1.407 -12.029 4.424 1.00 0.00 C ATOM 530 O LYS A 36 2.434 -12.563 4.843 1.00 0.00 O ATOM 531 CB LYS A 36 0.242 -13.915 3.264 1.00 0.00 C ATOM 532 CG LYS A 36 -0.762 -15.046 3.429 1.00 0.00 C ATOM 533 CD LYS A 36 -2.187 -14.575 3.182 1.00 0.00 C ATOM 534 CE LYS A 36 -3.190 -15.698 3.393 1.00 0.00 C ATOM 535 NZ LYS A 36 -3.144 -16.231 4.782 1.00 0.00 N ATOM 0 H LYS A 36 -1.326 -12.006 3.006 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.119 -13.268 5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.125 -13.480 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.250 -14.326 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.520 -15.851 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.684 -15.458 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.419 -13.748 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.274 -14.194 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.194 -15.333 3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.986 -16.504 2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.044 -16.703 5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.365 -16.915 4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.990 -15.448 5.449 1.00 0.00 H new ATOM 549 N LEU A 37 1.348 -10.754 4.050 1.00 0.00 N ATOM 550 CA LEU A 37 2.500 -9.871 4.131 1.00 0.00 C ATOM 551 C LEU A 37 2.257 -8.760 5.150 1.00 0.00 C ATOM 552 O LEU A 37 3.182 -8.054 5.550 1.00 0.00 O ATOM 553 CB LEU A 37 2.794 -9.268 2.756 1.00 0.00 C ATOM 554 CG LEU A 37 3.933 -8.255 2.730 1.00 0.00 C ATOM 555 CD1 LEU A 37 4.969 -8.640 1.689 1.00 0.00 C ATOM 556 CD2 LEU A 37 3.391 -6.869 2.454 1.00 0.00 C ATOM 0 H LEU A 37 0.506 -10.309 3.685 1.00 0.00 H new ATOM 0 HA LEU A 37 3.361 -10.454 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.030 -10.076 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.889 -8.785 2.386 1.00 0.00 H new ATOM 0 HG LEU A 37 4.418 -8.252 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.773 -7.904 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.377 -9.622 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.502 -8.670 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.213 -6.153 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.885 -6.862 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.685 -6.592 3.236 1.00 0.00 H new ATOM 568 N LEU A 38 1.001 -8.599 5.551 1.00 0.00 N ATOM 569 CA LEU A 38 0.608 -7.484 6.405 1.00 0.00 C ATOM 570 C LEU A 38 0.177 -7.968 7.786 1.00 0.00 C ATOM 571 O LEU A 38 0.361 -7.270 8.781 1.00 0.00 O ATOM 572 CB LEU A 38 -0.523 -6.695 5.749 1.00 0.00 C ATOM 573 CG LEU A 38 -0.090 -5.744 4.634 1.00 0.00 C ATOM 574 CD1 LEU A 38 -1.289 -4.986 4.091 1.00 0.00 C ATOM 575 CD2 LEU A 38 0.970 -4.780 5.137 1.00 0.00 C ATOM 0 H LEU A 38 0.237 -9.226 5.299 1.00 0.00 H new ATOM 0 HA LEU A 38 1.474 -6.834 6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.248 -7.400 5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.036 -6.118 6.518 1.00 0.00 H new ATOM 0 HG LEU A 38 0.341 -6.333 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.965 -4.313 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.016 -5.693 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.747 -4.408 4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.266 -4.111 4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.567 -4.195 5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.839 -5.341 5.480 1.00 0.00 H new ATOM 587 N LYS A 39 -0.364 -9.178 7.846 1.00 0.00 N ATOM 588 CA LYS A 39 -0.590 -9.841 9.123 1.00 0.00 C ATOM 589 C LYS A 39 0.725 -10.377 9.675 1.00 0.00 C ATOM 590 O LYS A 39 0.788 -10.867 10.803 1.00 0.00 O ATOM 591 CB LYS A 39 -1.603 -10.978 8.971 1.00 0.00 C ATOM 592 CG LYS A 39 -2.984 -10.510 8.534 1.00 0.00 C ATOM 593 CD LYS A 39 -3.976 -11.662 8.485 1.00 0.00 C ATOM 594 CE LYS A 39 -3.608 -12.674 7.411 1.00 0.00 C ATOM 595 NZ LYS A 39 -4.581 -13.800 7.353 1.00 0.00 N ATOM 0 H LYS A 39 -0.653 -9.718 7.030 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.997 -9.111 9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.225 -11.696 8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.691 -11.504 9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.345 -9.747 9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.917 -10.045 7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.008 -12.157 9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.976 -11.274 8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.570 -12.177 6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.610 -13.066 7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.295 -14.468 6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.599 -14.290 8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.529 -13.429 7.140 1.00 0.00 H new ATOM 609 N SER A 40 1.780 -10.258 8.872 1.00 0.00 N ATOM 610 CA SER A 40 3.123 -10.633 9.306 1.00 0.00 C ATOM 611 C SER A 40 3.745 -9.537 10.168 1.00 0.00 C ATOM 612 O SER A 40 4.361 -9.820 11.195 1.00 0.00 O ATOM 613 CB SER A 40 4.013 -10.913 8.094 1.00 0.00 C ATOM 614 OG SER A 40 5.321 -11.279 8.495 1.00 0.00 O ATOM 0 H SER A 40 1.730 -9.904 7.917 1.00 0.00 H new ATOM 0 HA SER A 40 3.043 -11.539 9.907 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.576 -11.712 7.495 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.058 -10.028 7.460 1.00 0.00 H new ATOM 0 HG SER A 40 5.768 -11.752 7.762 1.00 0.00 H new ATOM 620 N VAL A 41 3.573 -8.284 9.744 1.00 0.00 N ATOM 621 CA VAL A 41 4.055 -7.141 10.519 1.00 0.00 C ATOM 622 C VAL A 41 3.569 -7.230 11.958 1.00 0.00 C ATOM 623 O VAL A 41 4.304 -7.648 12.855 1.00 0.00 O ATOM 624 CB VAL A 41 3.573 -5.794 9.933 1.00 0.00 C ATOM 625 CG1 VAL A 41 4.693 -4.764 9.947 1.00 0.00 C ATOM 626 CG2 VAL A 41 3.025 -5.972 8.528 1.00 0.00 C ATOM 0 H VAL A 41 3.106 -8.036 8.872 1.00 0.00 H new ATOM 0 HA VAL A 41 5.144 -7.177 10.477 1.00 0.00 H new ATOM 0 HB VAL A 41 2.764 -5.427 10.565 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.329 -3.825 9.530 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.025 -4.601 10.972 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.529 -5.127 9.349 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.694 -5.008 8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.805 -6.373 7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.182 -6.663 8.551 1.00 0.00 H new ATOM 636 N GLY A 42 2.309 -6.862 12.161 1.00 0.00 N ATOM 637 CA GLY A 42 1.665 -7.068 13.441 1.00 0.00 C ATOM 638 C GLY A 42 0.158 -7.084 13.315 1.00 0.00 C ATOM 639 O GLY A 42 -0.560 -7.022 14.313 1.00 0.00 O ATOM 0 H GLY A 42 1.720 -6.421 11.455 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.004 -8.011 13.871 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.964 -6.278 14.130 1.00 0.00 H new ATOM 643 N ALA A 43 -0.318 -7.172 12.077 1.00 0.00 N ATOM 644 CA ALA A 43 -1.752 -7.221 11.813 1.00 0.00 C ATOM 645 C ALA A 43 -2.284 -8.646 11.925 1.00 0.00 C ATOM 646 O ALA A 43 -1.521 -9.591 12.129 1.00 0.00 O ATOM 647 CB ALA A 43 -2.057 -6.652 10.438 1.00 0.00 C ATOM 0 H ALA A 43 0.267 -7.211 11.242 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.253 -6.612 12.566 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.131 -6.696 10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.723 -5.616 10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.536 -7.236 9.679 1.00 0.00 H new ATOM 653 N GLN A 44 -3.598 -8.791 11.792 1.00 0.00 N ATOM 654 CA GLN A 44 -4.238 -10.098 11.867 1.00 0.00 C ATOM 655 C GLN A 44 -5.581 -10.079 11.143 1.00 0.00 C ATOM 656 O GLN A 44 -6.166 -11.127 10.864 1.00 0.00 O ATOM 657 CB GLN A 44 -4.433 -10.508 13.328 1.00 0.00 C ATOM 658 CG GLN A 44 -4.985 -11.916 13.501 1.00 0.00 C ATOM 659 CD GLN A 44 -5.160 -12.303 14.957 1.00 0.00 C ATOM 660 OE1 GLN A 44 -4.306 -11.765 15.822 1.00 0.00 O flip ATOM 661 NE2 GLN A 44 -6.050 -13.080 15.302 1.00 0.00 N flip ATOM 0 H GLN A 44 -4.242 -8.016 11.631 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.592 -10.827 11.379 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.477 -10.436 13.847 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.110 -9.801 13.807 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.946 -11.990 12.992 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.314 -12.627 13.019 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.685 -13.470 14.605 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.153 -13.334 16.285 1.00 0.00 H new ATOM 670 N LYS A 45 -6.063 -8.878 10.840 1.00 0.00 N ATOM 671 CA LYS A 45 -7.336 -8.712 10.148 1.00 0.00 C ATOM 672 C LYS A 45 -7.273 -9.302 8.744 1.00 0.00 C ATOM 673 O LYS A 45 -6.252 -9.203 8.064 1.00 0.00 O ATOM 674 CB LYS A 45 -7.706 -7.230 10.068 1.00 0.00 C ATOM 675 CG LYS A 45 -7.696 -6.524 11.414 1.00 0.00 C ATOM 676 CD LYS A 45 -7.989 -5.037 11.268 1.00 0.00 C ATOM 677 CE LYS A 45 -6.904 -4.327 10.472 1.00 0.00 C ATOM 678 NZ LYS A 45 -5.570 -4.445 11.123 1.00 0.00 N ATOM 0 H LYS A 45 -5.589 -8.003 11.064 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.100 -9.244 10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.009 -6.726 9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.698 -7.136 9.626 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.438 -6.979 12.070 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.725 -6.659 11.889 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.951 -4.902 10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.072 -4.583 12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.856 -4.748 9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.163 -3.274 10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.912 -3.764 10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.661 -4.244 12.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.204 -5.410 10.993 1.00 0.00 H new ATOM 692 N ASP A 46 -8.381 -9.891 8.305 1.00 0.00 N ATOM 693 CA ASP A 46 -8.506 -10.356 6.930 1.00 0.00 C ATOM 694 C ASP A 46 -9.022 -9.237 6.032 1.00 0.00 C ATOM 695 O ASP A 46 -9.227 -9.430 4.834 1.00 0.00 O ATOM 696 CB ASP A 46 -9.446 -11.560 6.858 1.00 0.00 C ATOM 697 CG ASP A 46 -10.842 -11.235 7.351 1.00 0.00 C ATOM 698 OD1 ASP A 46 -11.680 -10.816 6.527 1.00 0.00 O ATOM 699 OD2 ASP A 46 -11.096 -11.402 8.564 1.00 0.00 O ATOM 0 H ASP A 46 -9.205 -10.057 8.883 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.519 -10.658 6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.501 -11.913 5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.034 -12.375 7.453 1.00 0.00 H new ATOM 704 N THR A 47 -9.232 -8.066 6.626 1.00 0.00 N ATOM 705 CA THR A 47 -9.746 -6.915 5.894 1.00 0.00 C ATOM 706 C THR A 47 -8.871 -5.691 6.111 1.00 0.00 C ATOM 707 O THR A 47 -8.338 -5.482 7.200 1.00 0.00 O ATOM 708 CB THR A 47 -11.185 -6.577 6.324 1.00 0.00 C ATOM 709 OG1 THR A 47 -11.254 -6.460 7.750 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.155 -7.648 5.852 1.00 0.00 C ATOM 0 H THR A 47 -9.053 -7.890 7.615 1.00 0.00 H new ATOM 0 HA THR A 47 -9.739 -7.184 4.838 1.00 0.00 H new ATOM 0 HB THR A 47 -11.465 -5.628 5.867 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.172 -6.243 8.016 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.166 -7.388 6.167 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.120 -7.717 4.765 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.876 -8.608 6.285 1.00 0.00 H new ATOM 718 N TYR A 48 -8.720 -4.884 5.065 1.00 0.00 N ATOM 719 CA TYR A 48 -7.868 -3.710 5.139 1.00 0.00 C ATOM 720 C TYR A 48 -8.522 -2.500 4.497 1.00 0.00 C ATOM 721 O TYR A 48 -9.654 -2.563 4.014 1.00 0.00 O ATOM 722 CB TYR A 48 -6.539 -3.985 4.452 1.00 0.00 C ATOM 723 CG TYR A 48 -5.609 -4.848 5.262 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.770 -6.223 5.303 1.00 0.00 C ATOM 725 CD2 TYR A 48 -4.566 -4.283 5.978 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.911 -7.017 6.039 1.00 0.00 C ATOM 727 CE2 TYR A 48 -3.703 -5.068 6.718 1.00 0.00 C ATOM 728 CZ TYR A 48 -3.879 -6.437 6.744 1.00 0.00 C ATOM 729 OH TYR A 48 -3.023 -7.225 7.475 1.00 0.00 O ATOM 0 H TYR A 48 -9.175 -5.023 4.163 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.704 -3.491 6.194 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.728 -4.469 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.047 -3.036 4.238 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.578 -6.681 4.752 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.425 -3.212 5.957 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.048 -8.088 6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.896 -4.613 7.273 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.497 -7.589 8.252 1.00 0.00 H new ATOM 739 N THR A 49 -7.780 -1.404 4.468 1.00 0.00 N ATOM 740 CA THR A 49 -8.207 -0.227 3.736 1.00 0.00 C ATOM 741 C THR A 49 -7.053 0.385 2.955 1.00 0.00 C ATOM 742 O THR A 49 -5.915 -0.071 3.051 1.00 0.00 O ATOM 743 CB THR A 49 -8.808 0.842 4.666 1.00 0.00 C ATOM 744 OG1 THR A 49 -7.945 1.073 5.785 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.184 0.434 5.154 1.00 0.00 C ATOM 0 H THR A 49 -6.882 -1.307 4.942 1.00 0.00 H new ATOM 0 HA THR A 49 -8.979 -0.559 3.042 1.00 0.00 H new ATOM 0 HB THR A 49 -8.906 1.764 4.093 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.208 0.490 6.527 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.582 1.209 5.809 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.849 0.303 4.300 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.111 -0.504 5.704 1.00 0.00 H new ATOM 753 N MET A 50 -7.357 1.412 2.174 1.00 0.00 N ATOM 754 CA MET A 50 -6.365 2.033 1.308 1.00 0.00 C ATOM 755 C MET A 50 -5.303 2.767 2.126 1.00 0.00 C ATOM 756 O MET A 50 -4.138 2.838 1.730 1.00 0.00 O ATOM 757 CB MET A 50 -7.051 2.997 0.339 1.00 0.00 C ATOM 758 CG MET A 50 -8.064 2.317 -0.569 1.00 0.00 C ATOM 759 SD MET A 50 -7.300 1.159 -1.720 1.00 0.00 S ATOM 760 CE MET A 50 -8.737 0.571 -2.613 1.00 0.00 C ATOM 0 H MET A 50 -8.284 1.833 2.122 1.00 0.00 H new ATOM 0 HA MET A 50 -5.866 1.249 0.739 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.552 3.779 0.909 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.294 3.485 -0.274 1.00 0.00 H new ATOM 0 HG2 MET A 50 -8.795 1.787 0.042 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.609 3.076 -1.131 1.00 0.00 H new ATOM 0 HE1 MET A 50 -8.890 -0.487 -2.400 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.616 1.135 -2.300 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.581 0.707 -3.683 1.00 0.00 H new ATOM 770 N LYS A 51 -5.707 3.302 3.274 1.00 0.00 N ATOM 771 CA LYS A 51 -4.790 4.039 4.134 1.00 0.00 C ATOM 772 C LYS A 51 -4.049 3.078 5.051 1.00 0.00 C ATOM 773 O LYS A 51 -2.852 3.235 5.307 1.00 0.00 O ATOM 774 CB LYS A 51 -5.549 5.076 4.965 1.00 0.00 C ATOM 775 CG LYS A 51 -4.657 5.876 5.901 1.00 0.00 C ATOM 776 CD LYS A 51 -5.465 6.848 6.745 1.00 0.00 C ATOM 777 CE LYS A 51 -4.576 7.631 7.698 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.840 6.736 8.631 1.00 0.00 N ATOM 0 H LYS A 51 -6.661 3.239 3.629 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.068 4.560 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.064 5.762 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.315 4.569 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.109 5.196 6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.917 6.426 5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.000 7.539 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.216 6.300 7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.863 8.224 7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.185 8.331 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.451 7.297 9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.490 6.017 9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.063 6.267 8.122 1.00 0.00 H new ATOM 792 N GLU A 52 -4.766 2.063 5.514 1.00 0.00 N ATOM 793 CA GLU A 52 -4.155 0.973 6.252 1.00 0.00 C ATOM 794 C GLU A 52 -2.969 0.410 5.479 1.00 0.00 C ATOM 795 O GLU A 52 -1.831 0.496 5.932 1.00 0.00 O ATOM 796 CB GLU A 52 -5.184 -0.127 6.511 1.00 0.00 C ATOM 797 CG GLU A 52 -4.965 -0.876 7.816 1.00 0.00 C ATOM 798 CD GLU A 52 -5.116 0.015 9.034 1.00 0.00 C ATOM 799 OE1 GLU A 52 -5.973 0.924 9.003 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.376 -0.196 10.018 1.00 0.00 O ATOM 0 H GLU A 52 -5.774 1.974 5.389 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.798 1.355 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.180 0.315 6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.157 -0.838 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.677 -1.699 7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.968 -1.317 7.814 1.00 0.00 H new ATOM 807 N VAL A 53 -3.244 -0.149 4.303 1.00 0.00 N ATOM 808 CA VAL A 53 -2.214 -0.715 3.458 1.00 0.00 C ATOM 809 C VAL A 53 -1.133 0.309 3.126 1.00 0.00 C ATOM 810 O VAL A 53 0.032 -0.048 2.951 1.00 0.00 O ATOM 811 CB VAL A 53 -2.820 -1.246 2.154 1.00 0.00 C ATOM 812 CG1 VAL A 53 -3.895 -2.280 2.444 1.00 0.00 C ATOM 813 CG2 VAL A 53 -3.376 -0.104 1.321 1.00 0.00 C ATOM 0 H VAL A 53 -4.185 -0.219 3.917 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.758 -1.535 4.013 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.031 -1.732 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.312 -2.644 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.459 -3.113 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.686 -1.825 3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.802 -0.500 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.151 0.414 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.574 0.594 1.080 1.00 0.00 H new ATOM 823 N LEU A 54 -1.519 1.579 3.043 1.00 0.00 N ATOM 824 CA LEU A 54 -0.556 2.649 2.815 1.00 0.00 C ATOM 825 C LEU A 54 0.636 2.510 3.756 1.00 0.00 C ATOM 826 O LEU A 54 1.752 2.216 3.321 1.00 0.00 O ATOM 827 CB LEU A 54 -1.215 4.019 2.997 1.00 0.00 C ATOM 828 CG LEU A 54 -0.257 5.214 2.951 1.00 0.00 C ATOM 829 CD1 LEU A 54 0.468 5.269 1.614 1.00 0.00 C ATOM 830 CD2 LEU A 54 -1.011 6.510 3.206 1.00 0.00 C ATOM 0 H LEU A 54 -2.487 1.890 3.130 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.200 2.569 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.969 4.148 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.738 4.029 3.954 1.00 0.00 H new ATOM 0 HG LEU A 54 0.487 5.089 3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.143 6.124 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.041 4.352 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.260 5.370 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.316 7.349 3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.778 6.641 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.481 6.470 4.189 1.00 0.00 H new ATOM 842 N PHE A 55 0.399 2.719 5.047 1.00 0.00 N ATOM 843 CA PHE A 55 1.479 2.668 6.025 1.00 0.00 C ATOM 844 C PHE A 55 1.847 1.227 6.373 1.00 0.00 C ATOM 845 O PHE A 55 2.973 0.954 6.783 1.00 0.00 O ATOM 846 CB PHE A 55 1.102 3.440 7.295 1.00 0.00 C ATOM 847 CG PHE A 55 -0.185 2.996 7.934 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.247 1.815 8.659 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.330 3.765 7.818 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.427 1.411 9.252 1.00 0.00 C ATOM 851 CE2 PHE A 55 -2.513 3.367 8.410 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.562 2.188 9.128 1.00 0.00 C ATOM 0 H PHE A 55 -0.521 2.923 5.437 1.00 0.00 H new ATOM 0 HA PHE A 55 2.351 3.142 5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.908 3.337 8.021 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.026 4.500 7.052 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.638 1.204 8.761 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.298 4.688 7.258 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.462 0.488 9.812 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.399 3.977 8.312 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.486 1.874 9.591 1.00 0.00 H new ATOM 862 N TYR A 56 0.890 0.312 6.221 1.00 0.00 N ATOM 863 CA TYR A 56 1.085 -1.072 6.651 1.00 0.00 C ATOM 864 C TYR A 56 2.008 -1.823 5.709 1.00 0.00 C ATOM 865 O TYR A 56 2.933 -2.503 6.147 1.00 0.00 O ATOM 866 CB TYR A 56 -0.249 -1.805 6.758 1.00 0.00 C ATOM 867 CG TYR A 56 -0.518 -2.350 8.141 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.517 -2.852 8.926 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.803 -2.358 8.666 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.276 -3.347 10.190 1.00 0.00 C ATOM 871 CE2 TYR A 56 -2.053 -2.851 9.930 1.00 0.00 C ATOM 872 CZ TYR A 56 -1.012 -3.344 10.691 1.00 0.00 C ATOM 873 OH TYR A 56 -1.256 -3.836 11.952 1.00 0.00 O ATOM 0 H TYR A 56 -0.022 0.502 5.806 1.00 0.00 H new ATOM 0 HA TYR A 56 1.551 -1.038 7.636 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.054 -1.125 6.480 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.264 -2.626 6.041 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.525 -2.854 8.538 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.621 -1.972 8.075 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.089 -3.735 10.785 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.059 -2.851 10.323 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.212 -3.761 12.153 1.00 0.00 H new ATOM 883 N LEU A 57 1.774 -1.692 4.413 1.00 0.00 N ATOM 884 CA LEU A 57 2.715 -2.201 3.436 1.00 0.00 C ATOM 885 C LEU A 57 4.037 -1.468 3.577 1.00 0.00 C ATOM 886 O LEU A 57 5.098 -2.087 3.617 1.00 0.00 O ATOM 887 CB LEU A 57 2.161 -2.035 2.018 1.00 0.00 C ATOM 888 CG LEU A 57 2.220 -3.290 1.140 1.00 0.00 C ATOM 889 CD1 LEU A 57 3.637 -3.845 1.081 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.252 -4.342 1.656 1.00 0.00 C ATOM 0 H LEU A 57 0.948 -1.242 4.019 1.00 0.00 H new ATOM 0 HA LEU A 57 2.873 -3.264 3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.123 -1.709 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.714 -1.238 1.521 1.00 0.00 H new ATOM 0 HG LEU A 57 1.924 -3.014 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.653 -4.735 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.305 -3.093 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.968 -4.105 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.305 -5.227 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.518 -4.611 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.238 -3.943 1.638 1.00 0.00 H new ATOM 902 N GLY A 58 3.961 -0.145 3.712 1.00 0.00 N ATOM 903 CA GLY A 58 5.132 0.631 4.071 1.00 0.00 C ATOM 904 C GLY A 58 5.887 0.025 5.237 1.00 0.00 C ATOM 905 O GLY A 58 7.114 0.118 5.304 1.00 0.00 O ATOM 0 H GLY A 58 3.109 0.400 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.796 0.703 3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.828 1.646 4.326 1.00 0.00 H new ATOM 909 N GLN A 59 5.160 -0.622 6.148 1.00 0.00 N ATOM 910 CA GLN A 59 5.793 -1.351 7.239 1.00 0.00 C ATOM 911 C GLN A 59 6.631 -2.503 6.697 1.00 0.00 C ATOM 912 O GLN A 59 7.854 -2.456 6.742 1.00 0.00 O ATOM 913 CB GLN A 59 4.757 -1.889 8.230 1.00 0.00 C ATOM 914 CG GLN A 59 3.935 -0.810 8.915 1.00 0.00 C ATOM 915 CD GLN A 59 4.791 0.275 9.538 1.00 0.00 C ATOM 916 OE1 GLN A 59 5.186 0.179 10.701 1.00 0.00 O ATOM 917 NE2 GLN A 59 5.086 1.314 8.767 1.00 0.00 N ATOM 0 H GLN A 59 4.141 -0.655 6.150 1.00 0.00 H new ATOM 0 HA GLN A 59 6.441 -0.651 7.767 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.083 -2.565 7.703 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.269 -2.478 8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.258 -0.360 8.189 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.316 -1.267 9.688 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.738 1.353 7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.661 2.073 9.132 1.00 0.00 H new ATOM 926 N TYR A 60 5.968 -3.552 6.213 1.00 0.00 N ATOM 927 CA TYR A 60 6.663 -4.796 5.889 1.00 0.00 C ATOM 928 C TYR A 60 7.817 -4.545 4.918 1.00 0.00 C ATOM 929 O TYR A 60 8.870 -5.174 5.020 1.00 0.00 O ATOM 930 CB TYR A 60 5.694 -5.820 5.296 1.00 0.00 C ATOM 931 CG TYR A 60 6.308 -7.189 5.112 1.00 0.00 C ATOM 932 CD1 TYR A 60 7.076 -7.483 3.995 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.120 -8.184 6.060 1.00 0.00 C ATOM 934 CE1 TYR A 60 7.640 -8.731 3.825 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.680 -9.437 5.899 1.00 0.00 C ATOM 936 CZ TYR A 60 7.440 -9.706 4.780 1.00 0.00 C ATOM 937 OH TYR A 60 8.000 -10.951 4.616 1.00 0.00 O ATOM 0 H TYR A 60 4.963 -3.566 6.038 1.00 0.00 H new ATOM 0 HA TYR A 60 7.073 -5.196 6.816 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.823 -5.905 5.946 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.338 -5.457 4.332 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.235 -6.722 3.245 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.526 -7.976 6.938 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.235 -8.943 2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.523 -10.202 6.645 1.00 0.00 H new ATOM 0 HH TYR A 60 7.763 -11.519 5.379 1.00 0.00 H new ATOM 947 N ILE A 61 7.617 -3.616 3.990 1.00 0.00 N ATOM 948 CA ILE A 61 8.665 -3.240 3.044 1.00 0.00 C ATOM 949 C ILE A 61 9.895 -2.719 3.778 1.00 0.00 C ATOM 950 O ILE A 61 10.970 -3.315 3.712 1.00 0.00 O ATOM 951 CB ILE A 61 8.167 -2.158 2.063 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.844 -2.582 1.432 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.202 -1.889 0.981 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.044 -1.420 0.897 1.00 0.00 C ATOM 0 H ILE A 61 6.740 -3.109 3.871 1.00 0.00 H new ATOM 0 HA ILE A 61 8.931 -4.135 2.482 1.00 0.00 H new ATOM 0 HB ILE A 61 8.011 -1.237 2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.043 -3.282 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.249 -3.114 2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.828 -1.123 0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.128 -1.545 1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.392 -2.806 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.115 -1.788 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.816 -0.730 1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.623 -0.901 0.133 1.00 0.00 H new ATOM 966 N MET A 62 9.725 -1.605 4.484 1.00 0.00 N ATOM 967 CA MET A 62 10.817 -1.006 5.253 1.00 0.00 C ATOM 968 C MET A 62 11.319 -1.954 6.346 1.00 0.00 C ATOM 969 O MET A 62 12.501 -2.295 6.383 1.00 0.00 O ATOM 970 CB MET A 62 10.361 0.313 5.879 1.00 0.00 C ATOM 971 CG MET A 62 9.959 1.364 4.859 1.00 0.00 C ATOM 972 SD MET A 62 9.443 2.913 5.624 1.00 0.00 S ATOM 973 CE MET A 62 10.939 3.379 6.491 1.00 0.00 C ATOM 0 H MET A 62 8.842 -1.097 4.541 1.00 0.00 H new ATOM 0 HA MET A 62 11.641 -0.815 4.566 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.516 0.119 6.540 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.166 0.709 6.498 1.00 0.00 H new ATOM 0 HG2 MET A 62 10.798 1.555 4.190 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.145 0.977 4.246 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.923 4.450 6.695 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.000 2.831 7.432 1.00 0.00 H new ATOM 0 HE3 MET A 62 11.806 3.140 5.875 1.00 0.00 H new ATOM 983 N THR A 63 10.413 -2.354 7.239 1.00 0.00 N ATOM 984 CA THR A 63 10.757 -3.197 8.386 1.00 0.00 C ATOM 985 C THR A 63 11.766 -4.283 8.021 1.00 0.00 C ATOM 986 O THR A 63 12.809 -4.411 8.661 1.00 0.00 O ATOM 987 CB THR A 63 9.507 -3.871 8.983 1.00 0.00 C ATOM 988 OG1 THR A 63 8.813 -4.606 7.971 1.00 0.00 O ATOM 989 CG2 THR A 63 8.576 -2.837 9.600 1.00 0.00 C ATOM 0 H THR A 63 9.425 -2.105 7.189 1.00 0.00 H new ATOM 0 HA THR A 63 11.205 -2.531 9.124 1.00 0.00 H new ATOM 0 HB THR A 63 9.831 -4.556 9.766 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.590 -4.008 7.227 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.701 -3.337 10.015 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.099 -2.304 10.394 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.260 -2.129 8.834 1.00 0.00 H new ATOM 997 N LYS A 64 11.431 -5.085 7.016 1.00 0.00 N ATOM 998 CA LYS A 64 12.196 -6.291 6.715 1.00 0.00 C ATOM 999 C LYS A 64 13.428 -5.972 5.873 1.00 0.00 C ATOM 1000 O LYS A 64 13.972 -6.844 5.195 1.00 0.00 O ATOM 1001 CB LYS A 64 11.311 -7.305 5.988 1.00 0.00 C ATOM 1002 CG LYS A 64 10.073 -7.701 6.776 1.00 0.00 C ATOM 1003 CD LYS A 64 10.426 -8.504 8.018 1.00 0.00 C ATOM 1004 CE LYS A 64 11.056 -9.841 7.658 1.00 0.00 C ATOM 1005 NZ LYS A 64 11.411 -10.632 8.869 1.00 0.00 N ATOM 0 H LYS A 64 10.637 -4.923 6.397 1.00 0.00 H new ATOM 0 HA LYS A 64 12.535 -6.719 7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.004 -6.887 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.897 -8.199 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.525 -6.805 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.410 -8.288 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.115 -7.931 8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.527 -8.672 8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.364 -10.414 7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.951 -9.671 7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.837 -11.536 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.091 -10.097 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.553 -10.816 9.427 1.00 0.00 H new ATOM 1019 N ARG A 65 13.867 -4.718 5.936 1.00 0.00 N ATOM 1020 CA ARG A 65 15.067 -4.282 5.228 1.00 0.00 C ATOM 1021 C ARG A 65 15.018 -4.690 3.760 1.00 0.00 C ATOM 1022 O ARG A 65 16.004 -5.178 3.205 1.00 0.00 O ATOM 1023 CB ARG A 65 16.318 -4.860 5.893 1.00 0.00 C ATOM 1024 CG ARG A 65 16.468 -4.474 7.357 1.00 0.00 C ATOM 1025 CD ARG A 65 16.625 -2.972 7.527 1.00 0.00 C ATOM 1026 NE ARG A 65 16.766 -2.593 8.931 1.00 0.00 N ATOM 1027 CZ ARG A 65 16.791 -1.333 9.356 1.00 0.00 C ATOM 1028 NH1 ARG A 65 16.687 -0.334 8.490 1.00 0.00 N ATOM 1029 NH2 ARG A 65 16.922 -1.071 10.650 1.00 0.00 N ATOM 0 H ARG A 65 13.407 -3.983 6.473 1.00 0.00 H new ATOM 0 HA ARG A 65 15.109 -3.194 5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.291 -5.947 5.814 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.198 -4.522 5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.596 -4.815 7.915 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.335 -4.981 7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.499 -2.633 6.970 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.759 -2.466 7.100 1.00 0.00 H new ATOM 0 HE ARG A 65 16.850 -3.337 9.624 1.00 0.00 H new ATOM 0 HH11 ARG A 65 16.587 -0.531 7.494 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.707 0.631 8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.004 -1.836 11.320 1.00 0.00 H new ATOM 0 HH22 ARG A 65 16.941 -0.104 10.975 1.00 0.00 H new ATOM 1043 N LEU A 66 13.862 -4.492 3.138 1.00 0.00 N ATOM 1044 CA LEU A 66 13.666 -4.875 1.746 1.00 0.00 C ATOM 1045 C LEU A 66 13.942 -3.699 0.818 1.00 0.00 C ATOM 1046 O LEU A 66 14.072 -3.868 -0.395 1.00 0.00 O ATOM 1047 CB LEU A 66 12.236 -5.376 1.546 1.00 0.00 C ATOM 1048 CG LEU A 66 11.772 -6.419 2.566 1.00 0.00 C ATOM 1049 CD1 LEU A 66 10.259 -6.535 2.560 1.00 0.00 C ATOM 1050 CD2 LEU A 66 12.416 -7.766 2.282 1.00 0.00 C ATOM 0 H LEU A 66 13.045 -4.068 3.577 1.00 0.00 H new ATOM 0 HA LEU A 66 14.366 -5.674 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.558 -4.523 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.152 -5.803 0.547 1.00 0.00 H new ATOM 0 HG LEU A 66 12.085 -6.093 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.948 -7.281 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.819 -5.571 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.921 -6.836 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.074 -8.495 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.136 -8.100 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.500 -7.671 2.342 1.00 0.00 H new ATOM 1062 N TYR A 67 14.027 -2.505 1.397 1.00 0.00 N ATOM 1063 CA TYR A 67 14.228 -1.284 0.625 1.00 0.00 C ATOM 1064 C TYR A 67 15.527 -1.344 -0.173 1.00 0.00 C ATOM 1065 O TYR A 67 16.245 -2.345 -0.138 1.00 0.00 O ATOM 1066 CB TYR A 67 14.238 -0.071 1.555 1.00 0.00 C ATOM 1067 CG TYR A 67 15.459 0.002 2.442 1.00 0.00 C ATOM 1068 CD1 TYR A 67 15.590 -0.823 3.552 1.00 0.00 C ATOM 1069 CD2 TYR A 67 16.483 0.896 2.166 1.00 0.00 C ATOM 1070 CE1 TYR A 67 16.707 -0.757 4.363 1.00 0.00 C ATOM 1071 CE2 TYR A 67 17.602 0.970 2.969 1.00 0.00 C ATOM 1072 CZ TYR A 67 17.711 0.143 4.066 1.00 0.00 C ATOM 1073 OH TYR A 67 18.826 0.213 4.870 1.00 0.00 O ATOM 0 H TYR A 67 13.959 -2.357 2.404 1.00 0.00 H new ATOM 0 HA TYR A 67 13.402 -1.189 -0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.181 0.837 0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.346 -0.096 2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 67 14.806 -1.528 3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 67 16.403 1.546 1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 67 16.794 -1.405 5.223 1.00 0.00 H new ATOM 0 HE2 TYR A 67 18.389 1.673 2.739 1.00 0.00 H new ATOM 0 HH TYR A 67 19.437 0.896 4.523 1.00 0.00 H new ATOM 1083 N ASP A 68 15.815 -0.273 -0.905 1.00 0.00 N ATOM 1084 CA ASP A 68 16.965 -0.247 -1.800 1.00 0.00 C ATOM 1085 C ASP A 68 18.270 -0.301 -1.009 1.00 0.00 C ATOM 1086 O ASP A 68 18.792 -1.382 -0.736 1.00 0.00 O ATOM 1087 CB ASP A 68 16.923 1.006 -2.683 1.00 0.00 C ATOM 1088 CG ASP A 68 18.154 1.142 -3.558 1.00 0.00 C ATOM 1089 OD1 ASP A 68 18.154 0.585 -4.675 1.00 0.00 O ATOM 1090 OD2 ASP A 68 19.121 1.805 -3.126 1.00 0.00 O ATOM 0 H ASP A 68 15.268 0.588 -0.896 1.00 0.00 H new ATOM 0 HA ASP A 68 16.921 -1.127 -2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.035 0.972 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.831 1.889 -2.051 1.00 0.00 H new ATOM 1095 N GLU A 69 18.778 0.872 -0.626 1.00 0.00 N ATOM 1096 CA GLU A 69 19.980 0.963 0.202 1.00 0.00 C ATOM 1097 C GLU A 69 20.399 2.417 0.384 1.00 0.00 C ATOM 1098 O GLU A 69 20.926 2.796 1.431 1.00 0.00 O ATOM 1099 CB GLU A 69 21.133 0.170 -0.425 1.00 0.00 C ATOM 1100 CG GLU A 69 22.409 0.194 0.400 1.00 0.00 C ATOM 1101 CD GLU A 69 23.531 -0.600 -0.241 1.00 0.00 C ATOM 1102 OE1 GLU A 69 23.642 -1.811 0.045 1.00 0.00 O ATOM 1103 OE2 GLU A 69 24.302 -0.009 -1.027 1.00 0.00 O ATOM 0 H GLU A 69 18.374 1.774 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 69 19.746 0.536 1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 69 20.819 -0.865 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.343 0.573 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 69 22.731 1.227 0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.204 -0.209 1.392 1.00 0.00 H new ATOM 1110 N LYS A 70 20.156 3.225 -0.641 1.00 0.00 N ATOM 1111 CA LYS A 70 20.487 4.645 -0.594 1.00 0.00 C ATOM 1112 C LYS A 70 19.280 5.481 -0.993 1.00 0.00 C ATOM 1113 O LYS A 70 18.926 6.447 -0.316 1.00 0.00 O ATOM 1114 CB LYS A 70 21.673 4.950 -1.514 1.00 0.00 C ATOM 1115 CG LYS A 70 21.462 4.503 -2.952 1.00 0.00 C ATOM 1116 CD LYS A 70 22.651 4.859 -3.831 1.00 0.00 C ATOM 1117 CE LYS A 70 23.904 4.103 -3.415 1.00 0.00 C ATOM 1118 NZ LYS A 70 25.071 4.447 -4.273 1.00 0.00 N ATOM 0 H LYS A 70 19.730 2.921 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 70 20.768 4.902 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 70 21.865 6.023 -1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 70 22.564 4.462 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.300 3.425 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.562 4.971 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.416 4.631 -4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.837 5.931 -3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 70 24.138 4.332 -2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.716 3.031 -3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 25.904 3.911 -3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.858 4.205 -5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 25.267 5.466 -4.201 1.00 0.00 H new ATOM 1132 N GLN A 71 18.618 5.063 -2.066 1.00 0.00 N ATOM 1133 CA GLN A 71 17.276 5.536 -2.368 1.00 0.00 C ATOM 1134 C GLN A 71 16.242 4.605 -1.748 1.00 0.00 C ATOM 1135 O GLN A 71 15.674 3.753 -2.429 1.00 0.00 O ATOM 1136 CB GLN A 71 17.070 5.619 -3.882 1.00 0.00 C ATOM 1137 CG GLN A 71 18.031 6.571 -4.576 1.00 0.00 C ATOM 1138 CD GLN A 71 17.805 6.637 -6.073 1.00 0.00 C ATOM 1139 OE1 GLN A 71 18.397 5.872 -6.836 1.00 0.00 O ATOM 1140 NE2 GLN A 71 16.946 7.553 -6.503 1.00 0.00 N ATOM 0 H GLN A 71 18.991 4.396 -2.741 1.00 0.00 H new ATOM 0 HA GLN A 71 17.153 6.533 -1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.185 4.624 -4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.047 5.937 -4.084 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.919 7.568 -4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.055 6.254 -4.380 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.478 8.166 -5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 71 16.754 7.644 -7.501 1.00 0.00 H new ATOM 1149 N GLN A 72 16.032 4.750 -0.442 1.00 0.00 N ATOM 1150 CA GLN A 72 15.203 3.817 0.316 1.00 0.00 C ATOM 1151 C GLN A 72 13.772 3.795 -0.215 1.00 0.00 C ATOM 1152 O GLN A 72 12.996 2.894 0.106 1.00 0.00 O ATOM 1153 CB GLN A 72 15.206 4.195 1.797 1.00 0.00 C ATOM 1154 CG GLN A 72 16.600 4.274 2.400 1.00 0.00 C ATOM 1155 CD GLN A 72 16.583 4.609 3.879 1.00 0.00 C ATOM 1156 OE1 GLN A 72 15.534 4.180 4.573 1.00 0.00 O flip ATOM 1157 NE2 GLN A 72 17.503 5.244 4.394 1.00 0.00 N flip ATOM 0 H GLN A 72 16.426 5.508 0.115 1.00 0.00 H new ATOM 0 HA GLN A 72 15.624 2.818 0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.711 5.158 1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.620 3.463 2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 72 17.109 3.321 2.254 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.179 5.029 1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.290 5.554 3.824 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.478 5.460 5.391 1.00 0.00 H new ATOM 1166 N HIS A 73 13.432 4.781 -1.042 1.00 0.00 N ATOM 1167 CA HIS A 73 12.128 4.811 -1.698 1.00 0.00 C ATOM 1168 C HIS A 73 12.047 3.756 -2.796 1.00 0.00 C ATOM 1169 O HIS A 73 11.028 3.631 -3.474 1.00 0.00 O ATOM 1170 CB HIS A 73 11.851 6.199 -2.279 1.00 0.00 C ATOM 1171 CG HIS A 73 12.952 6.729 -3.146 1.00 0.00 C ATOM 1172 ND1 HIS A 73 13.774 7.770 -2.764 1.00 0.00 N ATOM 1173 CD2 HIS A 73 13.360 6.365 -4.384 1.00 0.00 C ATOM 1174 CE1 HIS A 73 14.637 8.024 -3.731 1.00 0.00 C ATOM 1175 NE2 HIS A 73 14.406 7.184 -4.724 1.00 0.00 N ATOM 0 H HIS A 73 14.039 5.567 -1.273 1.00 0.00 H new ATOM 0 HA HIS A 73 11.369 4.587 -0.949 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.931 6.160 -2.862 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.680 6.897 -1.459 1.00 0.00 H new ATOM 0 HD1 HIS A 73 13.723 8.266 -1.874 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.940 5.577 -4.991 1.00 0.00 H new ATOM 0 HE1 HIS A 73 15.401 8.788 -3.713 1.00 0.00 H new ATOM 1184 N ILE A 74 13.110 2.969 -2.934 1.00 0.00 N ATOM 1185 CA ILE A 74 13.053 1.744 -3.718 1.00 0.00 C ATOM 1186 C ILE A 74 13.133 0.535 -2.794 1.00 0.00 C ATOM 1187 O ILE A 74 13.493 0.670 -1.626 1.00 0.00 O ATOM 1188 CB ILE A 74 14.201 1.677 -4.750 1.00 0.00 C ATOM 1189 CG1 ILE A 74 14.333 3.008 -5.495 1.00 0.00 C ATOM 1190 CG2 ILE A 74 13.967 0.539 -5.735 1.00 0.00 C ATOM 1191 CD1 ILE A 74 13.093 3.404 -6.269 1.00 0.00 C ATOM 0 H ILE A 74 14.019 3.159 -2.513 1.00 0.00 H new ATOM 0 HA ILE A 74 12.107 1.739 -4.259 1.00 0.00 H new ATOM 0 HB ILE A 74 15.132 1.487 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 74 14.567 3.794 -4.777 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.175 2.945 -6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 74 14.785 0.507 -6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 74 13.921 -0.406 -5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 74 13.027 0.701 -6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 74 13.265 4.357 -6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 74 12.869 2.639 -7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 74 12.251 3.501 -5.583 1.00 0.00 H new ATOM 1203 N VAL A 75 12.784 -0.636 -3.307 1.00 0.00 N ATOM 1204 CA VAL A 75 12.805 -1.849 -2.497 1.00 0.00 C ATOM 1205 C VAL A 75 12.819 -3.099 -3.366 1.00 0.00 C ATOM 1206 O VAL A 75 11.846 -3.405 -4.058 1.00 0.00 O ATOM 1207 CB VAL A 75 11.604 -1.895 -1.533 1.00 0.00 C ATOM 1208 CG1 VAL A 75 10.424 -1.142 -2.123 1.00 0.00 C ATOM 1209 CG2 VAL A 75 11.226 -3.331 -1.191 1.00 0.00 C ATOM 0 H VAL A 75 12.485 -0.774 -4.272 1.00 0.00 H new ATOM 0 HA VAL A 75 13.724 -1.826 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 75 11.893 -1.404 -0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.583 -1.183 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.704 -0.102 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.137 -1.599 -3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.376 -3.331 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.959 -3.864 -2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.072 -3.827 -0.715 1.00 0.00 H new ATOM 1219 N TYR A 76 13.929 -3.822 -3.311 1.00 0.00 N ATOM 1220 CA TYR A 76 14.075 -5.071 -4.042 1.00 0.00 C ATOM 1221 C TYR A 76 13.363 -6.214 -3.328 1.00 0.00 C ATOM 1222 O TYR A 76 13.090 -6.134 -2.129 1.00 0.00 O ATOM 1223 CB TYR A 76 15.555 -5.400 -4.218 1.00 0.00 C ATOM 1224 CG TYR A 76 16.301 -4.393 -5.069 1.00 0.00 C ATOM 1225 CD1 TYR A 76 15.957 -3.045 -5.056 1.00 0.00 C ATOM 1226 CD2 TYR A 76 17.350 -4.790 -5.881 1.00 0.00 C ATOM 1227 CE1 TYR A 76 16.638 -2.127 -5.825 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.042 -3.878 -6.654 1.00 0.00 C ATOM 1229 CZ TYR A 76 17.682 -2.546 -6.623 1.00 0.00 C ATOM 1230 OH TYR A 76 18.366 -1.632 -7.392 1.00 0.00 O ATOM 0 H TYR A 76 14.748 -3.561 -2.762 1.00 0.00 H new ATOM 0 HA TYR A 76 13.614 -4.949 -5.022 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.026 -5.454 -3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 76 15.648 -6.387 -4.671 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.141 -2.712 -4.432 1.00 0.00 H new ATOM 0 HD2 TYR A 76 17.632 -5.832 -5.911 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.356 -1.085 -5.803 1.00 0.00 H new ATOM 0 HE2 TYR A 76 18.860 -4.205 -7.279 1.00 0.00 H new ATOM 0 HH TYR A 76 19.072 -2.090 -7.894 1.00 0.00 H new ATOM 1240 N CYS A 77 13.047 -7.264 -4.075 1.00 0.00 N ATOM 1241 CA CYS A 77 12.270 -8.379 -3.539 1.00 0.00 C ATOM 1242 C CYS A 77 13.168 -9.387 -2.829 1.00 0.00 C ATOM 1243 O CYS A 77 13.090 -10.589 -3.083 1.00 0.00 O ATOM 1244 CB CYS A 77 11.494 -9.074 -4.657 1.00 0.00 C ATOM 1245 SG CYS A 77 12.542 -9.798 -5.942 1.00 0.00 S ATOM 0 H CYS A 77 13.316 -7.369 -5.053 1.00 0.00 H new ATOM 0 HA CYS A 77 11.566 -7.974 -2.812 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.876 -9.859 -4.222 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.818 -8.354 -5.117 1.00 0.00 H new ATOM 0 HG CYS A 77 12.050 -9.517 -7.112 1.00 0.00 H new ATOM 1251 N SER A 78 14.005 -8.893 -1.926 1.00 0.00 N ATOM 1252 CA SER A 78 14.849 -9.760 -1.110 1.00 0.00 C ATOM 1253 C SER A 78 14.011 -10.540 -0.099 1.00 0.00 C ATOM 1254 O SER A 78 13.898 -10.143 1.061 1.00 0.00 O ATOM 1255 CB SER A 78 15.913 -8.936 -0.384 1.00 0.00 C ATOM 1256 OG SER A 78 16.738 -9.760 0.421 1.00 0.00 O ATOM 0 H SER A 78 14.119 -7.897 -1.739 1.00 0.00 H new ATOM 0 HA SER A 78 15.343 -10.472 -1.771 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.525 -8.405 -1.113 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.431 -8.181 0.238 1.00 0.00 H new ATOM 0 HG SER A 78 17.410 -9.208 0.873 1.00 0.00 H new ATOM 1262 N ASN A 79 13.432 -11.651 -0.549 1.00 0.00 N ATOM 1263 CA ASN A 79 12.626 -12.508 0.316 1.00 0.00 C ATOM 1264 C ASN A 79 11.386 -11.768 0.810 1.00 0.00 C ATOM 1265 O ASN A 79 11.315 -11.351 1.967 1.00 0.00 O ATOM 1266 CB ASN A 79 13.456 -13.003 1.505 1.00 0.00 C ATOM 1267 CG ASN A 79 12.708 -14.011 2.357 1.00 0.00 C ATOM 1268 OD1 ASN A 79 12.749 -15.213 2.097 1.00 0.00 O ATOM 1269 ND2 ASN A 79 12.019 -13.524 3.382 1.00 0.00 N ATOM 0 H ASN A 79 13.507 -11.979 -1.512 1.00 0.00 H new ATOM 0 HA ASN A 79 12.302 -13.370 -0.268 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.377 -13.455 1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.743 -12.152 2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.496 -14.154 3.990 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.013 -12.520 3.561 1.00 0.00 H new ATOM 1276 N ASP A 80 10.410 -11.612 -0.079 1.00 0.00 N ATOM 1277 CA ASP A 80 9.160 -10.937 0.262 1.00 0.00 C ATOM 1278 C ASP A 80 8.133 -11.091 -0.859 1.00 0.00 C ATOM 1279 O ASP A 80 6.930 -10.889 -0.653 1.00 0.00 O ATOM 1280 CB ASP A 80 9.418 -9.453 0.537 1.00 0.00 C ATOM 1281 CG ASP A 80 10.254 -8.797 -0.544 1.00 0.00 C ATOM 1282 OD1 ASP A 80 11.498 -8.894 -0.472 1.00 0.00 O ATOM 1283 OD2 ASP A 80 9.668 -8.190 -1.463 1.00 0.00 O ATOM 0 H ASP A 80 10.460 -11.944 -1.042 1.00 0.00 H new ATOM 0 HA ASP A 80 8.758 -11.402 1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.464 -8.932 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.924 -9.348 1.497 1.00 0.00 H new ATOM 1288 N LEU A 81 8.621 -11.422 -2.056 1.00 0.00 N ATOM 1289 CA LEU A 81 7.780 -11.427 -3.247 1.00 0.00 C ATOM 1290 C LEU A 81 6.897 -10.187 -3.264 1.00 0.00 C ATOM 1291 O LEU A 81 5.728 -10.257 -3.632 1.00 0.00 O ATOM 1292 CB LEU A 81 6.917 -12.690 -3.286 1.00 0.00 C ATOM 1293 CG LEU A 81 7.694 -14.008 -3.305 1.00 0.00 C ATOM 1294 CD1 LEU A 81 6.737 -15.191 -3.270 1.00 0.00 C ATOM 1295 CD2 LEU A 81 8.591 -14.086 -4.530 1.00 0.00 C ATOM 0 H LEU A 81 9.591 -11.689 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 81 8.421 -11.419 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.258 -12.688 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.280 -12.649 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 81 8.324 -14.046 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.307 -16.120 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.137 -15.147 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.081 -15.154 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.134 -15.031 -4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.982 -14.024 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.301 -13.259 -4.514 1.00 0.00 H new ATOM 1307 N LEU A 82 7.474 -9.073 -2.802 1.00 0.00 N ATOM 1308 CA LEU A 82 6.723 -7.918 -2.294 1.00 0.00 C ATOM 1309 C LEU A 82 5.221 -8.075 -2.417 1.00 0.00 C ATOM 1310 O LEU A 82 4.658 -8.180 -3.506 1.00 0.00 O ATOM 1311 CB LEU A 82 7.211 -6.619 -2.946 1.00 0.00 C ATOM 1312 CG LEU A 82 6.864 -6.388 -4.428 1.00 0.00 C ATOM 1313 CD1 LEU A 82 6.939 -7.677 -5.234 1.00 0.00 C ATOM 1314 CD2 LEU A 82 5.496 -5.738 -4.560 1.00 0.00 C ATOM 0 H LEU A 82 8.485 -8.946 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 82 6.926 -7.864 -1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.808 -5.784 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.296 -6.580 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 82 7.610 -5.709 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.687 -7.471 -6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.949 -8.082 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.234 -8.402 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.267 -5.582 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.741 -6.387 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.498 -4.778 -4.044 1.00 0.00 H new ATOM 1326 N GLY A 83 4.588 -8.101 -1.260 1.00 0.00 N ATOM 1327 CA GLY A 83 3.170 -8.343 -1.190 1.00 0.00 C ATOM 1328 C GLY A 83 2.798 -9.764 -1.556 1.00 0.00 C ATOM 1329 O GLY A 83 1.614 -10.077 -1.667 1.00 0.00 O ATOM 0 H GLY A 83 5.039 -7.957 -0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.819 -8.129 -0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 83 2.655 -7.654 -1.859 1.00 0.00 H new ATOM 1333 N ASP A 84 3.799 -10.611 -1.820 1.00 0.00 N ATOM 1334 CA ASP A 84 3.546 -11.850 -2.556 1.00 0.00 C ATOM 1335 C ASP A 84 2.862 -11.521 -3.875 1.00 0.00 C ATOM 1336 O ASP A 84 2.256 -12.380 -4.516 1.00 0.00 O ATOM 1337 CB ASP A 84 2.644 -12.760 -1.739 1.00 0.00 C ATOM 1338 CG ASP A 84 3.225 -13.093 -0.379 1.00 0.00 C ATOM 1339 OD1 ASP A 84 2.955 -12.342 0.581 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.951 -14.104 -0.275 1.00 0.00 O ATOM 0 H ASP A 84 4.769 -10.465 -1.542 1.00 0.00 H new ATOM 0 HA ASP A 84 4.493 -12.355 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.674 -12.280 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.470 -13.684 -2.291 1.00 0.00 H new ATOM 1345 N LEU A 85 2.870 -10.239 -4.189 1.00 0.00 N ATOM 1346 CA LEU A 85 1.775 -9.608 -4.909 1.00 0.00 C ATOM 1347 C LEU A 85 2.179 -9.212 -6.329 1.00 0.00 C ATOM 1348 O LEU A 85 1.411 -9.396 -7.273 1.00 0.00 O ATOM 1349 CB LEU A 85 1.304 -8.389 -4.112 1.00 0.00 C ATOM 1350 CG LEU A 85 1.753 -7.033 -4.647 1.00 0.00 C ATOM 1351 CD1 LEU A 85 0.600 -6.375 -5.377 1.00 0.00 C ATOM 1352 CD2 LEU A 85 2.266 -6.153 -3.517 1.00 0.00 C ATOM 0 H LEU A 85 3.633 -9.605 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 85 0.959 -10.323 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.215 -8.401 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.659 -8.490 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 85 2.576 -7.175 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.918 -5.406 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.286 -7.008 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.235 -6.237 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.581 -5.190 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.471 -5.998 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.113 -6.639 -3.033 1.00 0.00 H new ATOM 1364 N PHE A 86 3.377 -8.656 -6.473 1.00 0.00 N ATOM 1365 CA PHE A 86 3.835 -8.159 -7.766 1.00 0.00 C ATOM 1366 C PHE A 86 4.842 -9.114 -8.396 1.00 0.00 C ATOM 1367 O PHE A 86 4.694 -9.521 -9.548 1.00 0.00 O ATOM 1368 CB PHE A 86 4.470 -6.773 -7.613 1.00 0.00 C ATOM 1369 CG PHE A 86 3.500 -5.622 -7.690 1.00 0.00 C ATOM 1370 CD1 PHE A 86 2.251 -5.776 -8.270 1.00 0.00 C ATOM 1371 CD2 PHE A 86 3.849 -4.375 -7.183 1.00 0.00 C ATOM 1372 CE1 PHE A 86 1.371 -4.714 -8.345 1.00 0.00 C ATOM 1373 CE2 PHE A 86 2.971 -3.311 -7.253 1.00 0.00 C ATOM 1374 CZ PHE A 86 1.731 -3.482 -7.835 1.00 0.00 C ATOM 0 H PHE A 86 4.047 -8.538 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 86 2.966 -8.087 -8.420 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.988 -6.730 -6.655 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.225 -6.647 -8.389 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.962 -6.738 -8.668 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.819 -4.237 -6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.402 -4.847 -8.802 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.254 -2.348 -6.854 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.042 -2.652 -7.892 1.00 0.00 H new ATOM 1384 N GLY A 87 5.885 -9.440 -7.640 1.00 0.00 N ATOM 1385 CA GLY A 87 7.000 -10.186 -8.193 1.00 0.00 C ATOM 1386 C GLY A 87 8.108 -9.281 -8.692 1.00 0.00 C ATOM 1387 O GLY A 87 8.999 -9.722 -9.416 1.00 0.00 O ATOM 0 H GLY A 87 5.978 -9.200 -6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.398 -10.858 -7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.646 -10.809 -9.014 1.00 0.00 H new ATOM 1391 N VAL A 88 8.048 -8.007 -8.308 1.00 0.00 N ATOM 1392 CA VAL A 88 9.036 -7.027 -8.744 1.00 0.00 C ATOM 1393 C VAL A 88 10.442 -7.449 -8.324 1.00 0.00 C ATOM 1394 O VAL A 88 10.614 -8.125 -7.312 1.00 0.00 O ATOM 1395 CB VAL A 88 8.750 -5.624 -8.162 1.00 0.00 C ATOM 1396 CG1 VAL A 88 7.264 -5.309 -8.219 1.00 0.00 C ATOM 1397 CG2 VAL A 88 9.259 -5.515 -6.732 1.00 0.00 C ATOM 0 H VAL A 88 7.324 -7.631 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 88 8.969 -6.980 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 88 9.282 -4.894 -8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.086 -4.317 -7.804 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.926 -5.335 -9.255 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.713 -6.049 -7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.046 -4.519 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.761 -6.260 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.335 -5.688 -6.715 1.00 0.00 H new ATOM 1407 N PRO A 89 11.469 -6.994 -9.060 1.00 0.00 N ATOM 1408 CA PRO A 89 12.841 -6.962 -8.555 1.00 0.00 C ATOM 1409 C PRO A 89 13.067 -5.771 -7.632 1.00 0.00 C ATOM 1410 O PRO A 89 13.965 -5.782 -6.793 1.00 0.00 O ATOM 1411 CB PRO A 89 13.667 -6.819 -9.830 1.00 0.00 C ATOM 1412 CG PRO A 89 12.790 -6.046 -10.758 1.00 0.00 C ATOM 1413 CD PRO A 89 11.370 -6.425 -10.418 1.00 0.00 C ATOM 0 HA PRO A 89 13.097 -7.841 -7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.603 -6.295 -9.640 1.00 0.00 H new ATOM 0 HB3 PRO A 89 13.926 -7.792 -10.247 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.945 -4.974 -10.636 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.018 -6.285 -11.797 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.709 -5.559 -10.441 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.970 -7.150 -11.127 1.00 0.00 H new ATOM 1421 N SER A 90 12.235 -4.746 -7.806 1.00 0.00 N ATOM 1422 CA SER A 90 12.335 -3.504 -7.045 1.00 0.00 C ATOM 1423 C SER A 90 11.134 -2.612 -7.349 1.00 0.00 C ATOM 1424 O SER A 90 10.708 -2.511 -8.500 1.00 0.00 O ATOM 1425 CB SER A 90 13.621 -2.764 -7.402 1.00 0.00 C ATOM 1426 OG SER A 90 13.724 -2.555 -8.800 1.00 0.00 O ATOM 0 H SER A 90 11.470 -4.754 -8.481 1.00 0.00 H new ATOM 0 HA SER A 90 12.349 -3.747 -5.983 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.646 -1.804 -6.886 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.481 -3.336 -7.053 1.00 0.00 H new ATOM 0 HG SER A 90 14.556 -2.078 -8.999 1.00 0.00 H new ATOM 1432 N PHE A 91 10.591 -1.957 -6.327 1.00 0.00 N ATOM 1433 CA PHE A 91 9.479 -1.032 -6.536 1.00 0.00 C ATOM 1434 C PHE A 91 9.665 0.262 -5.756 1.00 0.00 C ATOM 1435 O PHE A 91 10.453 0.327 -4.810 1.00 0.00 O ATOM 1436 CB PHE A 91 8.138 -1.685 -6.171 1.00 0.00 C ATOM 1437 CG PHE A 91 7.957 -2.011 -4.711 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.384 -1.094 -3.841 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.327 -3.250 -4.214 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.184 -1.407 -2.511 1.00 0.00 C ATOM 1441 CE2 PHE A 91 8.135 -3.565 -2.883 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.560 -2.644 -2.032 1.00 0.00 C ATOM 0 H PHE A 91 10.897 -2.046 -5.358 1.00 0.00 H new ATOM 0 HA PHE A 91 9.467 -0.785 -7.597 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.332 -1.019 -6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.031 -2.604 -6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.090 -0.122 -4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.771 -3.979 -4.876 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.734 -0.684 -1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.435 -4.532 -2.508 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.405 -2.892 -0.992 1.00 0.00 H new ATOM 1452 N SER A 92 8.945 1.298 -6.180 1.00 0.00 N ATOM 1453 CA SER A 92 9.075 2.623 -5.590 1.00 0.00 C ATOM 1454 C SER A 92 7.958 2.884 -4.584 1.00 0.00 C ATOM 1455 O SER A 92 6.893 3.390 -4.938 1.00 0.00 O ATOM 1456 CB SER A 92 9.050 3.693 -6.685 1.00 0.00 C ATOM 1457 OG SER A 92 10.150 3.545 -7.566 1.00 0.00 O ATOM 0 H SER A 92 8.262 1.242 -6.935 1.00 0.00 H new ATOM 0 HA SER A 92 10.029 2.669 -5.065 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.118 3.622 -7.246 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.074 4.684 -6.231 1.00 0.00 H new ATOM 0 HG SER A 92 10.111 4.239 -8.257 1.00 0.00 H new ATOM 1463 N VAL A 93 8.223 2.545 -3.326 1.00 0.00 N ATOM 1464 CA VAL A 93 7.299 2.841 -2.235 1.00 0.00 C ATOM 1465 C VAL A 93 6.835 4.293 -2.276 1.00 0.00 C ATOM 1466 O VAL A 93 5.672 4.568 -2.562 1.00 0.00 O ATOM 1467 CB VAL A 93 7.950 2.574 -0.865 1.00 0.00 C ATOM 1468 CG1 VAL A 93 7.608 1.180 -0.369 1.00 0.00 C ATOM 1469 CG2 VAL A 93 9.452 2.765 -0.946 1.00 0.00 C ATOM 0 H VAL A 93 9.074 2.063 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 93 6.440 2.183 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 93 7.552 3.293 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.078 1.013 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.527 1.084 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.973 0.440 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.896 2.572 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.868 2.072 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.673 3.788 -1.250 1.00 0.00 H new ATOM 1479 N LYS A 94 7.750 5.213 -1.967 1.00 0.00 N ATOM 1480 CA LYS A 94 7.412 6.630 -1.848 1.00 0.00 C ATOM 1481 C LYS A 94 6.587 7.100 -3.041 1.00 0.00 C ATOM 1482 O LYS A 94 5.773 8.015 -2.924 1.00 0.00 O ATOM 1483 CB LYS A 94 8.684 7.471 -1.727 1.00 0.00 C ATOM 1484 CG LYS A 94 8.420 8.952 -1.520 1.00 0.00 C ATOM 1485 CD LYS A 94 9.715 9.739 -1.399 1.00 0.00 C ATOM 1486 CE LYS A 94 9.448 11.218 -1.174 1.00 0.00 C ATOM 1487 NZ LYS A 94 8.675 11.461 0.075 1.00 0.00 N ATOM 0 H LYS A 94 8.733 5.000 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 94 6.813 6.758 -0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.278 7.097 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.282 7.340 -2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.835 9.338 -2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.822 9.093 -0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.306 9.345 -0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.307 9.609 -2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.396 11.754 -1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.898 11.621 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.731 12.468 0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.681 11.196 -0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.073 10.889 0.847 1.00 0.00 H new ATOM 1501 N GLU A 95 6.781 6.444 -4.179 1.00 0.00 N ATOM 1502 CA GLU A 95 5.922 6.652 -5.336 1.00 0.00 C ATOM 1503 C GLU A 95 4.624 5.862 -5.187 1.00 0.00 C ATOM 1504 O GLU A 95 4.255 5.087 -6.069 1.00 0.00 O ATOM 1505 CB GLU A 95 6.648 6.233 -6.618 1.00 0.00 C ATOM 1506 CG GLU A 95 7.761 7.184 -7.034 1.00 0.00 C ATOM 1507 CD GLU A 95 8.832 7.341 -5.971 1.00 0.00 C ATOM 1508 OE1 GLU A 95 8.682 8.227 -5.105 1.00 0.00 O ATOM 1509 OE2 GLU A 95 9.820 6.579 -6.007 1.00 0.00 O ATOM 0 H GLU A 95 7.527 5.763 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 95 5.679 7.713 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.068 5.237 -6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.922 6.162 -7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.219 6.819 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.332 8.161 -7.258 1.00 0.00 H new ATOM 1516 N HIS A 96 3.946 6.054 -4.057 1.00 0.00 N ATOM 1517 CA HIS A 96 2.742 5.291 -3.749 1.00 0.00 C ATOM 1518 C HIS A 96 1.698 5.455 -4.847 1.00 0.00 C ATOM 1519 O HIS A 96 0.865 4.576 -5.059 1.00 0.00 O ATOM 1520 CB HIS A 96 2.148 5.732 -2.410 1.00 0.00 C ATOM 1521 CG HIS A 96 3.064 5.539 -1.245 1.00 0.00 C ATOM 1522 ND1 HIS A 96 2.943 4.494 -0.354 1.00 0.00 N ATOM 1523 CD2 HIS A 96 4.119 6.272 -0.823 1.00 0.00 C ATOM 1524 CE1 HIS A 96 3.884 4.593 0.569 1.00 0.00 C ATOM 1525 NE2 HIS A 96 4.611 5.664 0.306 1.00 0.00 N ATOM 0 H HIS A 96 4.211 6.731 -3.341 1.00 0.00 H new ATOM 0 HA HIS A 96 3.025 4.240 -3.685 1.00 0.00 H new ATOM 0 HB2 HIS A 96 1.876 6.786 -2.474 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.228 5.176 -2.232 1.00 0.00 H new ATOM 0 HD1 HIS A 96 2.237 3.759 -0.400 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.503 7.168 -1.287 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.033 3.915 1.396 1.00 0.00 H new ATOM 1534 N ARG A 97 1.747 6.592 -5.535 1.00 0.00 N ATOM 1535 CA ARG A 97 0.797 6.881 -6.602 1.00 0.00 C ATOM 1536 C ARG A 97 0.721 5.718 -7.584 1.00 0.00 C ATOM 1537 O ARG A 97 -0.338 5.123 -7.775 1.00 0.00 O ATOM 1538 CB ARG A 97 1.193 8.164 -7.337 1.00 0.00 C ATOM 1539 CG ARG A 97 0.217 8.567 -8.428 1.00 0.00 C ATOM 1540 CD ARG A 97 0.641 9.859 -9.106 1.00 0.00 C ATOM 1541 NE ARG A 97 -0.295 10.263 -10.151 1.00 0.00 N ATOM 1542 CZ ARG A 97 -0.196 11.403 -10.830 1.00 0.00 C ATOM 1543 NH1 ARG A 97 0.793 12.249 -10.572 1.00 0.00 N ATOM 1544 NH2 ARG A 97 -1.085 11.698 -11.767 1.00 0.00 N ATOM 0 H ARG A 97 2.435 7.327 -5.372 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.186 7.022 -6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.273 8.976 -6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.181 8.030 -7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.150 7.771 -9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.778 8.689 -8.000 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.716 10.651 -8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.634 9.732 -9.538 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.068 9.636 -10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.480 12.026 -9.852 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.866 13.122 -11.094 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.847 11.051 -11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.007 12.572 -12.286 1.00 0.00 H new ATOM 1558 N LYS A 98 1.853 5.394 -8.199 1.00 0.00 N ATOM 1559 CA LYS A 98 1.915 4.296 -9.155 1.00 0.00 C ATOM 1560 C LYS A 98 1.894 2.948 -8.443 1.00 0.00 C ATOM 1561 O LYS A 98 1.091 2.076 -8.767 1.00 0.00 O ATOM 1562 CB LYS A 98 3.173 4.411 -10.018 1.00 0.00 C ATOM 1563 CG LYS A 98 3.251 5.707 -10.810 1.00 0.00 C ATOM 1564 CD LYS A 98 4.524 5.780 -11.636 1.00 0.00 C ATOM 1565 CE LYS A 98 4.604 7.078 -12.424 1.00 0.00 C ATOM 1566 NZ LYS A 98 5.854 7.165 -13.226 1.00 0.00 N ATOM 0 H LYS A 98 2.740 5.876 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 98 1.036 4.360 -9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 98 4.051 4.333 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.207 3.569 -10.710 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.385 5.786 -11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.211 6.555 -10.127 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.390 5.698 -10.979 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.563 4.934 -12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.742 7.154 -13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.554 7.923 -11.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.870 8.064 -13.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.677 7.118 -12.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.890 6.373 -13.899 1.00 0.00 H new ATOM 1580 N ILE A 99 2.798 2.785 -7.486 1.00 0.00 N ATOM 1581 CA ILE A 99 2.998 1.501 -6.819 1.00 0.00 C ATOM 1582 C ILE A 99 1.674 0.926 -6.309 1.00 0.00 C ATOM 1583 O ILE A 99 1.481 -0.292 -6.286 1.00 0.00 O ATOM 1584 CB ILE A 99 4.028 1.635 -5.667 1.00 0.00 C ATOM 1585 CG1 ILE A 99 4.887 0.371 -5.571 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.354 1.921 -4.335 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.199 -0.790 -4.885 1.00 0.00 C ATOM 0 H ILE A 99 3.409 3.530 -7.151 1.00 0.00 H new ATOM 0 HA ILE A 99 3.398 0.802 -7.553 1.00 0.00 H new ATOM 0 HB ILE A 99 4.670 2.485 -5.898 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.179 0.065 -6.576 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.804 0.607 -5.031 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.111 2.007 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.795 2.854 -4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.672 1.107 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.872 -1.647 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.932 -0.505 -3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.297 -1.056 -5.436 1.00 0.00 H new ATOM 1599 N TYR A 100 0.751 1.806 -5.933 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.558 1.374 -5.449 1.00 0.00 C ATOM 1601 C TYR A 100 -1.567 1.240 -6.587 1.00 0.00 C ATOM 1602 O TYR A 100 -2.387 0.323 -6.589 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.077 2.343 -4.388 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.477 2.097 -3.023 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.570 1.200 -2.866 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.957 2.750 -1.896 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.125 0.958 -1.628 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.406 2.513 -0.650 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.634 1.617 -0.522 1.00 0.00 C ATOM 1610 OH TYR A 100 1.185 1.378 0.715 1.00 0.00 O ATOM 0 H TYR A 100 0.883 2.817 -5.953 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.436 0.388 -5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.857 3.365 -4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.162 2.256 -4.324 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.957 0.682 -3.731 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.772 3.452 -1.994 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.940 0.256 -1.525 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.789 3.028 0.219 1.00 0.00 H new ATOM 0 HH TYR A 100 0.610 0.762 1.216 1.00 0.00 H new ATOM 1620 N THR A 101 -1.501 2.147 -7.559 1.00 0.00 N ATOM 1621 CA THR A 101 -2.381 2.074 -8.721 1.00 0.00 C ATOM 1622 C THR A 101 -2.109 0.814 -9.534 1.00 0.00 C ATOM 1623 O THR A 101 -2.938 0.398 -10.345 1.00 0.00 O ATOM 1624 CB THR A 101 -2.233 3.306 -9.634 1.00 0.00 C ATOM 1625 OG1 THR A 101 -0.849 3.589 -9.857 1.00 0.00 O ATOM 1626 CG2 THR A 101 -2.917 4.520 -9.024 1.00 0.00 C ATOM 0 H THR A 101 -0.853 2.935 -7.565 1.00 0.00 H new ATOM 0 HA THR A 101 -3.401 2.047 -8.338 1.00 0.00 H new ATOM 0 HB THR A 101 -2.713 3.083 -10.587 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.311 2.810 -9.605 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.798 5.376 -9.688 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.978 4.310 -8.889 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.466 4.745 -8.058 1.00 0.00 H new ATOM 1634 N MET A 102 -0.960 0.192 -9.291 1.00 0.00 N ATOM 1635 CA MET A 102 -0.672 -1.121 -9.857 1.00 0.00 C ATOM 1636 C MET A 102 -1.199 -2.220 -8.943 1.00 0.00 C ATOM 1637 O MET A 102 -1.802 -3.188 -9.408 1.00 0.00 O ATOM 1638 CB MET A 102 0.831 -1.307 -10.067 1.00 0.00 C ATOM 1639 CG MET A 102 1.511 -0.122 -10.723 1.00 0.00 C ATOM 1640 SD MET A 102 3.283 -0.374 -10.948 1.00 0.00 S ATOM 1641 CE MET A 102 3.792 -0.741 -9.270 1.00 0.00 C ATOM 0 H MET A 102 -0.215 0.574 -8.708 1.00 0.00 H new ATOM 0 HA MET A 102 -1.172 -1.186 -10.824 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.302 -1.495 -9.102 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.995 -2.193 -10.680 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.049 0.066 -11.692 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.349 0.768 -10.114 1.00 0.00 H new ATOM 0 HE1 MET A 102 4.562 -0.034 -8.960 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.934 -0.658 -8.603 1.00 0.00 H new ATOM 0 HE3 MET A 102 4.191 -1.754 -9.224 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.971 -2.063 -7.639 1.00 0.00 N ATOM 1652 CA ILE A 103 -1.442 -3.040 -6.665 1.00 0.00 C ATOM 1653 C ILE A 103 -2.934 -3.315 -6.836 1.00 0.00 C ATOM 1654 O ILE A 103 -3.386 -4.452 -6.690 1.00 0.00 O ATOM 1655 CB ILE A 103 -1.171 -2.580 -5.215 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.324 -2.665 -4.901 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.971 -3.421 -4.227 1.00 0.00 C ATOM 1658 CD1 ILE A 103 0.685 -2.190 -3.510 1.00 0.00 C ATOM 0 H ILE A 103 -0.466 -1.273 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.884 -3.958 -6.849 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.489 -1.542 -5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.652 -3.698 -5.018 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.873 -2.071 -5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.767 -3.082 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.035 -3.315 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.684 -4.468 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.761 -2.281 -3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.389 -1.147 -3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.165 -2.799 -2.771 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.696 -2.269 -7.136 1.00 0.00 N ATOM 1671 CA TYR A 104 -5.147 -2.386 -7.238 1.00 0.00 C ATOM 1672 C TYR A 104 -5.602 -2.373 -8.693 1.00 0.00 C ATOM 1673 O TYR A 104 -5.311 -1.438 -9.439 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.827 -1.252 -6.469 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.593 -1.311 -4.978 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -4.461 -0.735 -4.411 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -6.499 -1.943 -4.136 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -4.243 -0.790 -3.048 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -6.286 -2.001 -2.774 1.00 0.00 C ATOM 1680 CZ TYR A 104 -5.158 -1.425 -2.235 1.00 0.00 C ATOM 1681 OH TYR A 104 -4.944 -1.481 -0.879 1.00 0.00 O ATOM 0 H TYR A 104 -3.334 -1.332 -7.313 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.436 -3.341 -6.799 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.463 -0.297 -6.848 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.899 -1.284 -6.662 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -3.742 -0.238 -5.045 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.385 -2.397 -4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -3.360 -0.338 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.001 -2.496 -2.134 1.00 0.00 H new ATOM 0 HH TYR A 104 -5.683 -1.962 -0.451 1.00 0.00 H new