USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=22 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 73 HIS : no HD1:sc= -1.49! K(o=-1.1!,f=-3.1) USER MOD Set 1.2: A 92 SER OG : rot 39:sc= 0.432 USER MOD Set 2.1: A 39 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 2.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 30:sc= 0.0499 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.0337 (180deg=-0.242) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 140:sc= -0.279 USER MOD Single : A 44 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.72) USER MOD Single : A 47 THR OG1 : rot -59:sc= 0.815 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.952 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -148:sc= -0.0441 (180deg=-2.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot -36:sc= 1.27 USER MOD Single : A 59 GLN : amide:sc= -2.15! C(o=-2.1!,f=-7.3!) USER MOD Single : A 60 TYR OH : rot -123:sc= -2.1! USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0256 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 71 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.013) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot -179:sc= 0.199 USER MOD Single : A 77 CYS SG : rot 24:sc= 1.04 USER MOD Single : A 78 SER OG : rot -19:sc= 0.495 USER MOD Single : A 79 ASN : amide:sc= -0.0713 K(o=-0.071,f=-0.75) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0441 (180deg=-0.253) USER MOD Single : A 96 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-0.15) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -45:sc= 0.184 USER MOD Single : A 102 MET CE :methyl -124:sc= -7.11! (180deg=-13!) USER MOD Single : A 104 TYR OH : rot 90:sc= -0.41 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -12.225 0.877 -0.741 1.00 0.00 N ATOM 348 CA THR A 26 -12.469 -0.559 -0.773 1.00 0.00 C ATOM 349 C THR A 26 -12.272 -1.157 0.607 1.00 0.00 C ATOM 350 O THR A 26 -11.217 -0.989 1.218 1.00 0.00 O ATOM 351 CB THR A 26 -11.538 -1.282 -1.767 1.00 0.00 C ATOM 352 OG1 THR A 26 -11.707 -0.741 -3.083 1.00 0.00 O ATOM 353 CG2 THR A 26 -11.819 -2.776 -1.787 1.00 0.00 C ATOM 0 HA THR A 26 -13.499 -0.699 -1.101 1.00 0.00 H new ATOM 0 HB THR A 26 -10.509 -1.127 -1.441 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.958 0.204 -3.018 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.149 -3.263 -2.496 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.657 -3.190 -0.792 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.853 -2.948 -2.088 1.00 0.00 H new ATOM 361 N LEU A 27 -13.281 -1.869 1.095 1.00 0.00 N ATOM 362 CA LEU A 27 -13.149 -2.567 2.353 1.00 0.00 C ATOM 363 C LEU A 27 -12.309 -3.812 2.153 1.00 0.00 C ATOM 364 O LEU A 27 -12.834 -4.916 2.006 1.00 0.00 O ATOM 365 CB LEU A 27 -14.513 -2.930 2.934 1.00 0.00 C ATOM 366 CG LEU A 27 -14.632 -2.678 4.434 1.00 0.00 C ATOM 367 CD1 LEU A 27 -13.389 -3.186 5.144 1.00 0.00 C ATOM 368 CD2 LEU A 27 -14.826 -1.197 4.705 1.00 0.00 C ATOM 0 H LEU A 27 -14.187 -1.973 0.639 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.656 -1.906 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.282 -2.356 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.713 -3.983 2.735 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.500 -3.216 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.481 -3.003 6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.281 -4.256 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.512 -2.664 4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.909 -1.032 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.972 -0.641 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.736 -0.853 4.213 1.00 0.00 H new ATOM 380 N VAL A 28 -11.005 -3.604 2.057 1.00 0.00 N ATOM 381 CA VAL A 28 -10.135 -4.556 1.394 1.00 0.00 C ATOM 382 C VAL A 28 -10.173 -5.903 2.076 1.00 0.00 C ATOM 383 O VAL A 28 -10.175 -5.996 3.303 1.00 0.00 O ATOM 384 CB VAL A 28 -8.684 -4.057 1.343 1.00 0.00 C ATOM 385 CG1 VAL A 28 -7.735 -5.185 0.981 1.00 0.00 C ATOM 386 CG2 VAL A 28 -8.567 -2.926 0.348 1.00 0.00 C ATOM 0 H VAL A 28 -10.528 -2.783 2.431 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.507 -4.660 0.375 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.406 -3.691 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.714 -4.806 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.807 -5.975 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.002 -5.585 0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.535 -2.575 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.862 -3.279 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.219 -2.107 0.650 1.00 0.00 H new ATOM 396 N ARG A 29 -10.189 -6.945 1.266 1.00 0.00 N ATOM 397 CA ARG A 29 -10.146 -8.295 1.781 1.00 0.00 C ATOM 398 C ARG A 29 -9.980 -9.309 0.650 1.00 0.00 C ATOM 399 O ARG A 29 -10.905 -10.057 0.332 1.00 0.00 O ATOM 400 CB ARG A 29 -11.416 -8.593 2.577 1.00 0.00 C ATOM 401 CG ARG A 29 -12.675 -8.041 1.926 1.00 0.00 C ATOM 402 CD ARG A 29 -13.921 -8.417 2.711 1.00 0.00 C ATOM 403 NE ARG A 29 -15.137 -7.904 2.086 1.00 0.00 N ATOM 404 CZ ARG A 29 -16.361 -8.144 2.547 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.531 -8.888 3.631 1.00 0.00 N ATOM 406 NH2 ARG A 29 -17.416 -7.639 1.922 1.00 0.00 N ATOM 0 H ARG A 29 -10.231 -6.879 0.249 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.283 -8.381 2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.519 -9.672 2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.317 -8.171 3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.603 -6.956 1.855 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.756 -8.423 0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.985 -9.502 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.842 -8.026 3.725 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.042 -7.329 1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.722 -9.278 4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.471 -9.070 3.982 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.289 -7.066 1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -18.355 -7.823 2.276 1.00 0.00 H new ATOM 420 N PRO A 30 -8.801 -9.320 0.009 1.00 0.00 N ATOM 421 CA PRO A 30 -8.549 -10.100 -1.190 1.00 0.00 C ATOM 422 C PRO A 30 -7.891 -11.443 -0.891 1.00 0.00 C ATOM 423 O PRO A 30 -7.844 -11.881 0.260 1.00 0.00 O ATOM 424 CB PRO A 30 -7.591 -9.197 -1.964 1.00 0.00 C ATOM 425 CG PRO A 30 -6.858 -8.402 -0.920 1.00 0.00 C ATOM 426 CD PRO A 30 -7.617 -8.543 0.383 1.00 0.00 C ATOM 0 HA PRO A 30 -9.465 -10.356 -1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.899 -9.784 -2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.133 -8.543 -2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.837 -8.766 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.793 -7.354 -1.213 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.023 -9.056 1.139 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.889 -7.572 0.796 1.00 0.00 H new ATOM 434 N LYS A 31 -7.368 -12.085 -1.932 1.00 0.00 N ATOM 435 CA LYS A 31 -6.614 -13.321 -1.767 1.00 0.00 C ATOM 436 C LYS A 31 -5.382 -13.087 -0.896 1.00 0.00 C ATOM 437 O LYS A 31 -4.853 -11.976 -0.847 1.00 0.00 O ATOM 438 CB LYS A 31 -6.193 -13.871 -3.133 1.00 0.00 C ATOM 439 CG LYS A 31 -7.365 -14.228 -4.034 1.00 0.00 C ATOM 440 CD LYS A 31 -8.203 -15.354 -3.445 1.00 0.00 C ATOM 441 CE LYS A 31 -9.382 -15.699 -4.340 1.00 0.00 C ATOM 442 NZ LYS A 31 -8.944 -16.148 -5.691 1.00 0.00 N ATOM 0 H LYS A 31 -7.453 -11.769 -2.898 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.255 -14.051 -1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.571 -13.131 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.577 -14.758 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.991 -13.348 -4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.993 -14.525 -5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.580 -16.238 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.566 -15.061 -2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.975 -16.484 -3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.029 -14.827 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.748 -16.579 -6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.597 -15.331 -6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.181 -16.848 -5.594 1.00 0.00 H new ATOM 456 N PRO A 32 -4.924 -14.128 -0.175 1.00 0.00 N ATOM 457 CA PRO A 32 -3.827 -14.005 0.794 1.00 0.00 C ATOM 458 C PRO A 32 -2.486 -13.694 0.132 1.00 0.00 C ATOM 459 O PRO A 32 -1.634 -14.573 -0.005 1.00 0.00 O ATOM 460 CB PRO A 32 -3.778 -15.381 1.473 1.00 0.00 C ATOM 461 CG PRO A 32 -5.061 -16.050 1.112 1.00 0.00 C ATOM 462 CD PRO A 32 -5.452 -15.499 -0.226 1.00 0.00 C ATOM 0 HA PRO A 32 -4.000 -13.180 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.922 -15.960 1.125 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.678 -15.282 2.554 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.938 -17.132 1.067 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.830 -15.847 1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.015 -16.072 -1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.532 -15.512 -0.370 1.00 0.00 H new ATOM 470 N LEU A 33 -2.288 -12.430 -0.237 1.00 0.00 N ATOM 471 CA LEU A 33 -0.971 -11.948 -0.638 1.00 0.00 C ATOM 472 C LEU A 33 -0.863 -10.440 -0.441 1.00 0.00 C ATOM 473 O LEU A 33 0.128 -9.821 -0.826 1.00 0.00 O ATOM 474 CB LEU A 33 -0.651 -12.324 -2.096 1.00 0.00 C ATOM 475 CG LEU A 33 -1.786 -12.155 -3.118 1.00 0.00 C ATOM 476 CD1 LEU A 33 -2.785 -13.295 -3.005 1.00 0.00 C ATOM 477 CD2 LEU A 33 -2.478 -10.811 -2.961 1.00 0.00 C ATOM 0 H LEU A 33 -3.023 -11.723 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.236 -12.436 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.195 -11.721 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.328 -13.365 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.344 -12.184 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.580 -13.156 -3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.279 -14.242 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.213 -13.306 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.275 -10.724 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.901 -10.734 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.755 -10.010 -3.112 1.00 0.00 H new ATOM 489 N LEU A 34 -1.873 -9.869 0.204 1.00 0.00 N ATOM 490 CA LEU A 34 -1.789 -8.519 0.718 1.00 0.00 C ATOM 491 C LEU A 34 -1.995 -8.556 2.213 1.00 0.00 C ATOM 492 O LEU A 34 -1.889 -7.542 2.898 1.00 0.00 O ATOM 493 CB LEU A 34 -2.838 -7.631 0.064 1.00 0.00 C ATOM 494 CG LEU A 34 -2.564 -7.297 -1.396 1.00 0.00 C ATOM 495 CD1 LEU A 34 -3.829 -7.454 -2.217 1.00 0.00 C ATOM 496 CD2 LEU A 34 -2.002 -5.890 -1.514 1.00 0.00 C ATOM 0 H LEU A 34 -2.765 -10.330 0.382 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.807 -8.104 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.808 -8.124 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.911 -6.701 0.628 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.821 -7.992 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.619 -7.212 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.183 -8.483 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.596 -6.780 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.810 -5.662 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.721 -5.176 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.071 -5.822 -0.951 1.00 0.00 H new ATOM 508 N LEU A 35 -2.271 -9.752 2.711 1.00 0.00 N ATOM 509 CA LEU A 35 -2.338 -9.981 4.135 1.00 0.00 C ATOM 510 C LEU A 35 -1.195 -10.891 4.564 1.00 0.00 C ATOM 511 O LEU A 35 -0.573 -10.679 5.602 1.00 0.00 O ATOM 512 CB LEU A 35 -3.682 -10.606 4.527 1.00 0.00 C ATOM 513 CG LEU A 35 -4.895 -10.114 3.737 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.890 -8.599 3.638 1.00 0.00 C ATOM 515 CD2 LEU A 35 -4.919 -10.747 2.357 1.00 0.00 C ATOM 0 H LEU A 35 -2.452 -10.579 2.142 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.248 -9.021 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.608 -11.687 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.857 -10.413 5.585 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.799 -10.414 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.761 -8.268 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.923 -8.169 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.982 -8.270 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.788 -10.387 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.011 -10.478 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.975 -11.831 2.455 1.00 0.00 H new ATOM 527 N LYS A 36 -0.868 -11.851 3.707 1.00 0.00 N ATOM 528 CA LYS A 36 0.464 -12.435 3.704 1.00 0.00 C ATOM 529 C LYS A 36 1.500 -11.340 3.493 1.00 0.00 C ATOM 530 O LYS A 36 2.693 -11.538 3.712 1.00 0.00 O ATOM 531 CB LYS A 36 0.581 -13.488 2.601 1.00 0.00 C ATOM 532 CG LYS A 36 1.852 -14.318 2.682 1.00 0.00 C ATOM 533 CD LYS A 36 1.926 -15.344 1.562 1.00 0.00 C ATOM 534 CE LYS A 36 0.830 -16.392 1.689 1.00 0.00 C ATOM 535 NZ LYS A 36 0.902 -17.405 0.601 1.00 0.00 N ATOM 0 H LYS A 36 -1.504 -12.238 3.010 1.00 0.00 H new ATOM 0 HA LYS A 36 0.642 -12.919 4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.281 -14.153 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.543 -12.992 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.720 -13.660 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.894 -14.827 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.838 -14.840 0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.901 -15.832 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.914 -16.890 2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.144 -15.903 1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.139 -18.101 0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.796 -16.933 -0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.821 -17.890 0.638 1.00 0.00 H new ATOM 549 N LEU A 37 1.014 -10.171 3.088 1.00 0.00 N ATOM 550 CA LEU A 37 1.844 -8.986 2.968 1.00 0.00 C ATOM 551 C LEU A 37 1.930 -8.267 4.311 1.00 0.00 C ATOM 552 O LEU A 37 3.013 -7.891 4.760 1.00 0.00 O ATOM 553 CB LEU A 37 1.253 -8.057 1.896 1.00 0.00 C ATOM 554 CG LEU A 37 2.173 -6.941 1.407 1.00 0.00 C ATOM 555 CD1 LEU A 37 2.444 -5.960 2.529 1.00 0.00 C ATOM 556 CD2 LEU A 37 3.473 -7.514 0.867 1.00 0.00 C ATOM 0 H LEU A 37 0.037 -10.023 2.836 1.00 0.00 H new ATOM 0 HA LEU A 37 2.852 -9.277 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.959 -8.663 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.344 -7.606 2.294 1.00 0.00 H new ATOM 0 HG LEU A 37 1.676 -6.411 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.101 -5.168 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.503 -5.525 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.923 -6.480 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.114 -6.702 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.981 -8.069 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.257 -8.183 0.034 1.00 0.00 H new ATOM 568 N LEU A 38 0.775 -8.058 4.933 1.00 0.00 N ATOM 569 CA LEU A 38 0.684 -7.232 6.131 1.00 0.00 C ATOM 570 C LEU A 38 0.857 -8.066 7.395 1.00 0.00 C ATOM 571 O LEU A 38 1.716 -7.781 8.224 1.00 0.00 O ATOM 572 CB LEU A 38 -0.665 -6.513 6.172 1.00 0.00 C ATOM 573 CG LEU A 38 -0.991 -5.661 4.947 1.00 0.00 C ATOM 574 CD1 LEU A 38 -2.235 -4.828 5.192 1.00 0.00 C ATOM 575 CD2 LEU A 38 0.182 -4.772 4.591 1.00 0.00 C ATOM 0 H LEU A 38 -0.115 -8.451 4.626 1.00 0.00 H new ATOM 0 HA LEU A 38 1.489 -6.498 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.451 -7.258 6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.690 -5.874 7.055 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.185 -6.328 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.451 -4.228 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.079 -5.486 5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.070 -4.170 6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.068 -4.172 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.407 -4.113 5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.053 -5.389 4.371 1.00 0.00 H new ATOM 587 N LYS A 39 0.025 -9.088 7.544 1.00 0.00 N ATOM 588 CA LYS A 39 0.030 -9.917 8.746 1.00 0.00 C ATOM 589 C LYS A 39 1.438 -10.411 9.084 1.00 0.00 C ATOM 590 O LYS A 39 1.689 -10.878 10.195 1.00 0.00 O ATOM 591 CB LYS A 39 -0.920 -11.099 8.565 1.00 0.00 C ATOM 592 CG LYS A 39 -2.319 -10.675 8.147 1.00 0.00 C ATOM 593 CD LYS A 39 -3.239 -11.868 7.951 1.00 0.00 C ATOM 594 CE LYS A 39 -2.745 -12.781 6.842 1.00 0.00 C ATOM 595 NZ LYS A 39 -3.594 -13.997 6.701 1.00 0.00 N ATOM 0 H LYS A 39 -0.665 -9.365 6.846 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.311 -9.304 9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.511 -11.775 7.814 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.979 -11.658 9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.739 -10.013 8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.263 -10.104 7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.309 -12.431 8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.244 -11.518 7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.736 -12.234 5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.717 -13.078 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.109 -14.691 6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.764 -14.413 7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.503 -13.737 6.268 1.00 0.00 H new ATOM 609 N SER A 40 2.364 -10.262 8.138 1.00 0.00 N ATOM 610 CA SER A 40 3.785 -10.418 8.429 1.00 0.00 C ATOM 611 C SER A 40 4.279 -9.283 9.326 1.00 0.00 C ATOM 612 O SER A 40 4.582 -9.498 10.499 1.00 0.00 O ATOM 613 CB SER A 40 4.595 -10.453 7.132 1.00 0.00 C ATOM 614 OG SER A 40 5.973 -10.646 7.397 1.00 0.00 O ATOM 0 H SER A 40 2.155 -10.034 7.166 1.00 0.00 H new ATOM 0 HA SER A 40 3.924 -11.362 8.955 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.229 -11.256 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.454 -9.520 6.586 1.00 0.00 H new ATOM 0 HG SER A 40 6.351 -11.260 6.733 1.00 0.00 H new ATOM 620 N VAL A 41 4.301 -8.066 8.783 1.00 0.00 N ATOM 621 CA VAL A 41 4.415 -6.865 9.602 1.00 0.00 C ATOM 622 C VAL A 41 3.285 -6.830 10.634 1.00 0.00 C ATOM 623 O VAL A 41 2.415 -7.698 10.629 1.00 0.00 O ATOM 624 CB VAL A 41 4.387 -5.589 8.722 1.00 0.00 C ATOM 625 CG1 VAL A 41 3.016 -5.381 8.101 1.00 0.00 C ATOM 626 CG2 VAL A 41 4.808 -4.359 9.509 1.00 0.00 C ATOM 0 H VAL A 41 4.241 -7.888 7.780 1.00 0.00 H new ATOM 0 HA VAL A 41 5.372 -6.891 10.124 1.00 0.00 H new ATOM 0 HB VAL A 41 5.108 -5.735 7.918 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.027 -4.479 7.489 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.765 -6.239 7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.271 -5.276 8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.776 -3.484 8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.128 -4.214 10.348 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.822 -4.496 9.884 1.00 0.00 H new ATOM 636 N GLY A 42 3.325 -5.864 11.546 1.00 0.00 N ATOM 637 CA GLY A 42 2.418 -5.881 12.682 1.00 0.00 C ATOM 638 C GLY A 42 0.996 -5.489 12.317 1.00 0.00 C ATOM 639 O GLY A 42 0.491 -4.472 12.788 1.00 0.00 O ATOM 0 H GLY A 42 3.967 -5.072 11.520 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.412 -6.879 13.119 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.791 -5.200 13.447 1.00 0.00 H new ATOM 643 N ALA A 43 0.344 -6.306 11.491 1.00 0.00 N ATOM 644 CA ALA A 43 -1.046 -6.069 11.113 1.00 0.00 C ATOM 645 C ALA A 43 -1.987 -7.027 11.840 1.00 0.00 C ATOM 646 O ALA A 43 -1.543 -7.942 12.533 1.00 0.00 O ATOM 647 CB ALA A 43 -1.212 -6.206 9.607 1.00 0.00 C ATOM 0 H ALA A 43 0.758 -7.138 11.071 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.308 -5.053 11.407 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.253 -6.027 9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.577 -5.478 9.103 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.926 -7.212 9.299 1.00 0.00 H new ATOM 653 N GLN A 44 -3.290 -6.799 11.681 1.00 0.00 N ATOM 654 CA GLN A 44 -4.309 -7.569 12.391 1.00 0.00 C ATOM 655 C GLN A 44 -5.643 -7.486 11.656 1.00 0.00 C ATOM 656 O GLN A 44 -6.554 -6.780 12.088 1.00 0.00 O ATOM 657 CB GLN A 44 -4.478 -7.052 13.826 1.00 0.00 C ATOM 658 CG GLN A 44 -3.332 -7.421 14.754 1.00 0.00 C ATOM 659 CD GLN A 44 -3.164 -8.921 14.906 1.00 0.00 C ATOM 660 OE1 GLN A 44 -4.129 -9.679 14.814 1.00 0.00 O ATOM 661 NE2 GLN A 44 -1.932 -9.357 15.142 1.00 0.00 N ATOM 0 H GLN A 44 -3.666 -6.081 11.062 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.984 -8.609 12.428 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.577 -5.967 13.801 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.407 -7.448 14.237 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.406 -6.993 14.370 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.506 -6.977 15.734 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.161 -8.693 15.211 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.757 -10.356 15.255 1.00 0.00 H new ATOM 670 N LYS A 45 -5.722 -8.181 10.521 1.00 0.00 N ATOM 671 CA LYS A 45 -6.819 -8.010 9.562 1.00 0.00 C ATOM 672 C LYS A 45 -8.151 -7.700 10.237 1.00 0.00 C ATOM 673 O LYS A 45 -8.466 -6.539 10.498 1.00 0.00 O ATOM 674 CB LYS A 45 -6.981 -9.258 8.689 1.00 0.00 C ATOM 675 CG LYS A 45 -6.277 -10.493 9.230 1.00 0.00 C ATOM 676 CD LYS A 45 -6.747 -11.759 8.525 1.00 0.00 C ATOM 677 CE LYS A 45 -6.532 -11.681 7.021 1.00 0.00 C ATOM 678 NZ LYS A 45 -6.989 -12.918 6.331 1.00 0.00 N ATOM 0 H LYS A 45 -5.031 -8.876 10.239 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.547 -7.155 8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.043 -9.477 8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.597 -9.042 7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.200 -10.384 9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.465 -10.580 10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.209 -12.619 8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.805 -11.920 8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.071 -10.822 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.474 -11.519 6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.826 -12.825 5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.457 -13.735 6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.004 -13.059 6.508 1.00 0.00 H new ATOM 692 N ASP A 46 -8.977 -8.731 10.399 1.00 0.00 N ATOM 693 CA ASP A 46 -10.420 -8.546 10.370 1.00 0.00 C ATOM 694 C ASP A 46 -10.808 -7.769 9.116 1.00 0.00 C ATOM 695 O ASP A 46 -11.567 -6.804 9.183 1.00 0.00 O ATOM 696 CB ASP A 46 -10.897 -7.808 11.622 1.00 0.00 C ATOM 697 CG ASP A 46 -10.557 -8.554 12.899 1.00 0.00 C ATOM 698 OD1 ASP A 46 -9.459 -8.323 13.447 1.00 0.00 O ATOM 699 OD2 ASP A 46 -11.390 -9.369 13.350 1.00 0.00 O ATOM 0 H ASP A 46 -8.673 -9.693 10.550 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.901 -9.524 10.352 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.443 -6.817 11.651 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.976 -7.663 11.566 1.00 0.00 H new ATOM 704 N THR A 47 -10.219 -8.175 7.985 1.00 0.00 N ATOM 705 CA THR A 47 -10.202 -7.364 6.765 1.00 0.00 C ATOM 706 C THR A 47 -9.417 -6.083 6.976 1.00 0.00 C ATOM 707 O THR A 47 -8.817 -5.870 8.028 1.00 0.00 O ATOM 708 CB THR A 47 -11.613 -6.994 6.257 1.00 0.00 C ATOM 709 OG1 THR A 47 -12.178 -5.954 7.063 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.537 -8.197 6.257 1.00 0.00 C ATOM 0 H THR A 47 -9.743 -9.072 7.891 1.00 0.00 H new ATOM 0 HA THR A 47 -9.723 -7.987 6.010 1.00 0.00 H new ATOM 0 HB THR A 47 -11.509 -6.642 5.231 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.231 -6.254 7.994 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.521 -7.900 5.894 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.128 -8.970 5.606 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.627 -8.587 7.271 1.00 0.00 H new ATOM 718 N TYR A 48 -9.411 -5.240 5.955 1.00 0.00 N ATOM 719 CA TYR A 48 -8.614 -4.028 5.976 1.00 0.00 C ATOM 720 C TYR A 48 -9.362 -2.878 5.338 1.00 0.00 C ATOM 721 O TYR A 48 -10.409 -3.064 4.718 1.00 0.00 O ATOM 722 CB TYR A 48 -7.301 -4.245 5.233 1.00 0.00 C ATOM 723 CG TYR A 48 -6.310 -5.080 5.997 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.468 -4.494 6.926 1.00 0.00 C ATOM 725 CD2 TYR A 48 -6.214 -6.448 5.787 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.547 -5.249 7.631 1.00 0.00 C ATOM 727 CE2 TYR A 48 -5.299 -7.212 6.485 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.467 -6.608 7.404 1.00 0.00 C ATOM 729 OH TYR A 48 -3.555 -7.366 8.102 1.00 0.00 O ATOM 0 H TYR A 48 -9.951 -5.375 5.100 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.408 -3.782 7.018 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.509 -4.726 4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.854 -3.276 5.012 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.531 -3.431 7.104 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.864 -6.923 5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.896 -4.778 8.353 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.236 -8.276 6.312 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.628 -8.303 7.825 1.00 0.00 H new ATOM 739 N THR A 49 -8.788 -1.694 5.450 1.00 0.00 N ATOM 740 CA THR A 49 -9.244 -0.564 4.662 1.00 0.00 C ATOM 741 C THR A 49 -8.068 0.160 4.031 1.00 0.00 C ATOM 742 O THR A 49 -6.947 0.102 4.535 1.00 0.00 O ATOM 743 CB THR A 49 -10.063 0.433 5.497 1.00 0.00 C ATOM 744 OG1 THR A 49 -9.221 1.081 6.458 1.00 0.00 O ATOM 745 CG2 THR A 49 -11.207 -0.271 6.213 1.00 0.00 C ATOM 0 H THR A 49 -8.009 -1.490 6.076 1.00 0.00 H new ATOM 0 HA THR A 49 -9.890 -0.967 3.882 1.00 0.00 H new ATOM 0 HB THR A 49 -10.481 1.179 4.820 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.752 1.715 6.983 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.772 0.455 6.797 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.864 -0.736 5.479 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.805 -1.037 6.876 1.00 0.00 H new ATOM 753 N MET A 50 -8.325 0.790 2.896 1.00 0.00 N ATOM 754 CA MET A 50 -7.264 1.220 1.999 1.00 0.00 C ATOM 755 C MET A 50 -6.265 2.127 2.706 1.00 0.00 C ATOM 756 O MET A 50 -5.134 2.288 2.249 1.00 0.00 O ATOM 757 CB MET A 50 -7.870 1.936 0.798 1.00 0.00 C ATOM 758 CG MET A 50 -7.200 1.586 -0.519 1.00 0.00 C ATOM 759 SD MET A 50 -5.707 2.550 -0.819 1.00 0.00 S ATOM 760 CE MET A 50 -5.414 2.193 -2.551 1.00 0.00 C ATOM 0 H MET A 50 -9.266 1.016 2.572 1.00 0.00 H new ATOM 0 HA MET A 50 -6.722 0.336 1.663 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.930 1.688 0.734 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.803 3.013 0.955 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.949 0.525 -0.524 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.904 1.751 -1.335 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.342 2.200 -2.748 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.821 1.212 -2.794 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.900 2.950 -3.166 1.00 0.00 H new ATOM 770 N LYS A 51 -6.683 2.715 3.823 1.00 0.00 N ATOM 771 CA LYS A 51 -5.813 3.599 4.590 1.00 0.00 C ATOM 772 C LYS A 51 -5.014 2.797 5.607 1.00 0.00 C ATOM 773 O LYS A 51 -3.809 2.996 5.769 1.00 0.00 O ATOM 774 CB LYS A 51 -6.638 4.674 5.299 1.00 0.00 C ATOM 775 CG LYS A 51 -5.796 5.662 6.093 1.00 0.00 C ATOM 776 CD LYS A 51 -6.658 6.713 6.776 1.00 0.00 C ATOM 777 CE LYS A 51 -7.370 7.598 5.766 1.00 0.00 C ATOM 778 NZ LYS A 51 -8.219 8.627 6.427 1.00 0.00 N ATOM 0 H LYS A 51 -7.617 2.595 4.216 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.121 4.086 3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.222 5.220 4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.348 4.191 5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.215 5.125 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.084 6.151 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.394 6.222 7.413 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.035 7.329 7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.633 8.090 5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.989 6.980 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.686 9.209 5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.939 8.159 7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.625 9.233 7.028 1.00 0.00 H new ATOM 792 N GLU A 52 -5.693 1.866 6.267 1.00 0.00 N ATOM 793 CA GLU A 52 -5.037 0.912 7.146 1.00 0.00 C ATOM 794 C GLU A 52 -3.881 0.226 6.427 1.00 0.00 C ATOM 795 O GLU A 52 -2.737 0.274 6.876 1.00 0.00 O ATOM 796 CB GLU A 52 -6.045 -0.135 7.616 1.00 0.00 C ATOM 797 CG GLU A 52 -5.785 -0.645 9.025 1.00 0.00 C ATOM 798 CD GLU A 52 -6.838 -1.633 9.491 1.00 0.00 C ATOM 799 OE1 GLU A 52 -7.848 -1.190 10.074 1.00 0.00 O ATOM 800 OE2 GLU A 52 -6.649 -2.847 9.273 1.00 0.00 O ATOM 0 H GLU A 52 -6.705 1.753 6.207 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.641 1.449 8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.047 0.293 7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.029 -0.978 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.805 -1.121 9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.754 0.200 9.713 1.00 0.00 H new ATOM 807 N VAL A 53 -4.197 -0.405 5.303 1.00 0.00 N ATOM 808 CA VAL A 53 -3.199 -1.107 4.507 1.00 0.00 C ATOM 809 C VAL A 53 -2.323 -0.124 3.730 1.00 0.00 C ATOM 810 O VAL A 53 -1.226 -0.473 3.291 1.00 0.00 O ATOM 811 CB VAL A 53 -3.868 -2.100 3.532 1.00 0.00 C ATOM 812 CG1 VAL A 53 -5.000 -1.426 2.774 1.00 0.00 C ATOM 813 CG2 VAL A 53 -2.850 -2.691 2.568 1.00 0.00 C ATOM 0 H VAL A 53 -5.142 -0.445 4.921 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.566 -1.666 5.196 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.287 -2.918 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.458 -2.142 2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.748 -1.068 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.606 -0.584 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.349 -3.387 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.390 -1.890 1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.081 -3.220 3.130 1.00 0.00 H new ATOM 823 N LEU A 54 -2.791 1.115 3.593 1.00 0.00 N ATOM 824 CA LEU A 54 -1.963 2.181 3.032 1.00 0.00 C ATOM 825 C LEU A 54 -0.621 2.251 3.754 1.00 0.00 C ATOM 826 O LEU A 54 0.419 1.904 3.190 1.00 0.00 O ATOM 827 CB LEU A 54 -2.679 3.533 3.138 1.00 0.00 C ATOM 828 CG LEU A 54 -2.299 4.567 2.072 1.00 0.00 C ATOM 829 CD1 LEU A 54 -0.847 4.991 2.222 1.00 0.00 C ATOM 830 CD2 LEU A 54 -2.559 4.017 0.677 1.00 0.00 C ATOM 0 H LEU A 54 -3.732 1.404 3.860 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.788 1.956 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.754 3.360 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.473 3.957 4.121 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.924 5.449 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.601 5.725 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.697 5.432 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.200 4.120 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.283 4.765 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.964 3.117 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.617 3.775 0.573 1.00 0.00 H new ATOM 842 N PHE A 55 -0.650 2.708 5.003 1.00 0.00 N ATOM 843 CA PHE A 55 0.577 2.881 5.772 1.00 0.00 C ATOM 844 C PHE A 55 1.165 1.534 6.174 1.00 0.00 C ATOM 845 O PHE A 55 2.364 1.428 6.430 1.00 0.00 O ATOM 846 CB PHE A 55 0.325 3.743 7.015 1.00 0.00 C ATOM 847 CG PHE A 55 -0.775 3.235 7.908 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.573 2.136 8.728 1.00 0.00 C ATOM 849 CD2 PHE A 55 -2.009 3.865 7.933 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.580 1.674 9.553 1.00 0.00 C ATOM 851 CE2 PHE A 55 -3.020 3.408 8.755 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.806 2.311 9.567 1.00 0.00 C ATOM 0 H PHE A 55 -1.503 2.963 5.500 1.00 0.00 H new ATOM 0 HA PHE A 55 1.298 3.394 5.135 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.247 3.805 7.593 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.080 4.756 6.697 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.384 1.635 8.722 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.182 4.724 7.302 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.409 0.816 10.186 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.977 3.908 8.763 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.595 1.952 10.211 1.00 0.00 H new ATOM 862 N TYR A 56 0.321 0.507 6.224 1.00 0.00 N ATOM 863 CA TYR A 56 0.770 -0.832 6.596 1.00 0.00 C ATOM 864 C TYR A 56 1.516 -1.503 5.452 1.00 0.00 C ATOM 865 O TYR A 56 2.334 -2.397 5.674 1.00 0.00 O ATOM 866 CB TYR A 56 -0.410 -1.701 7.026 1.00 0.00 C ATOM 867 CG TYR A 56 -0.523 -1.860 8.525 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.607 -2.079 9.307 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.756 -1.789 9.158 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.508 -2.224 10.675 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.864 -1.931 10.525 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.729 -2.149 11.281 1.00 0.00 C ATOM 873 OH TYR A 56 -0.834 -2.289 12.646 1.00 0.00 O ATOM 0 H TYR A 56 -0.674 0.575 6.012 1.00 0.00 H new ATOM 0 HA TYR A 56 1.455 -0.724 7.437 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.332 -1.263 6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.312 -2.686 6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.577 -2.136 8.835 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.646 -1.620 8.570 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.394 -2.395 11.268 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.831 -1.872 11.002 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.186 -2.955 12.957 1.00 0.00 H new ATOM 883 N LEU A 57 1.259 -1.051 4.233 1.00 0.00 N ATOM 884 CA LEU A 57 2.070 -1.457 3.096 1.00 0.00 C ATOM 885 C LEU A 57 3.420 -0.764 3.156 1.00 0.00 C ATOM 886 O LEU A 57 4.461 -1.402 3.021 1.00 0.00 O ATOM 887 CB LEU A 57 1.363 -1.125 1.779 1.00 0.00 C ATOM 888 CG LEU A 57 1.432 -2.217 0.705 1.00 0.00 C ATOM 889 CD1 LEU A 57 2.875 -2.626 0.441 1.00 0.00 C ATOM 890 CD2 LEU A 57 0.597 -3.421 1.115 1.00 0.00 C ATOM 0 H LEU A 57 0.501 -0.407 4.007 1.00 0.00 H new ATOM 0 HA LEU A 57 2.218 -2.536 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.315 -0.913 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.797 -0.211 1.373 1.00 0.00 H new ATOM 0 HG LEU A 57 1.021 -1.813 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.899 -3.402 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.442 -1.760 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.319 -3.009 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.657 -4.186 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.976 -3.824 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.442 -3.117 1.244 1.00 0.00 H new ATOM 902 N GLY A 58 3.392 0.539 3.417 1.00 0.00 N ATOM 903 CA GLY A 58 4.610 1.248 3.753 1.00 0.00 C ATOM 904 C GLY A 58 5.349 0.597 4.905 1.00 0.00 C ATOM 905 O GLY A 58 6.580 0.598 4.943 1.00 0.00 O ATOM 0 H GLY A 58 2.550 1.114 3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.261 1.284 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.369 2.279 4.014 1.00 0.00 H new ATOM 909 N GLN A 59 4.594 0.025 5.842 1.00 0.00 N ATOM 910 CA GLN A 59 5.187 -0.695 6.963 1.00 0.00 C ATOM 911 C GLN A 59 6.046 -1.849 6.470 1.00 0.00 C ATOM 912 O GLN A 59 7.247 -1.892 6.730 1.00 0.00 O ATOM 913 CB GLN A 59 4.106 -1.233 7.908 1.00 0.00 C ATOM 914 CG GLN A 59 3.415 -0.165 8.745 1.00 0.00 C ATOM 915 CD GLN A 59 4.356 0.548 9.699 1.00 0.00 C ATOM 916 OE1 GLN A 59 5.546 0.699 9.427 1.00 0.00 O ATOM 917 NE2 GLN A 59 3.821 0.994 10.829 1.00 0.00 N ATOM 0 H GLN A 59 3.574 0.047 5.846 1.00 0.00 H new ATOM 0 HA GLN A 59 5.813 0.011 7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.354 -1.759 7.319 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.557 -1.966 8.577 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.957 0.568 8.081 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.609 -0.625 9.316 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.829 0.848 11.016 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.402 1.483 11.510 1.00 0.00 H new ATOM 926 N TYR A 60 5.419 -2.805 5.791 1.00 0.00 N ATOM 927 CA TYR A 60 6.072 -4.072 5.493 1.00 0.00 C ATOM 928 C TYR A 60 7.236 -3.887 4.520 1.00 0.00 C ATOM 929 O TYR A 60 8.286 -4.508 4.677 1.00 0.00 O ATOM 930 CB TYR A 60 5.070 -5.078 4.930 1.00 0.00 C ATOM 931 CG TYR A 60 5.695 -6.410 4.600 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.097 -7.275 5.608 1.00 0.00 C ATOM 933 CD2 TYR A 60 5.898 -6.795 3.284 1.00 0.00 C ATOM 934 CE1 TYR A 60 6.685 -8.488 5.311 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.481 -8.009 2.978 1.00 0.00 C ATOM 936 CZ TYR A 60 6.875 -8.850 3.996 1.00 0.00 C ATOM 937 OH TYR A 60 7.464 -10.056 3.698 1.00 0.00 O ATOM 0 H TYR A 60 4.465 -2.726 5.439 1.00 0.00 H new ATOM 0 HA TYR A 60 6.473 -4.461 6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.269 -5.228 5.653 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.614 -4.664 4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.948 -6.995 6.640 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.595 -6.135 2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.995 -9.150 6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.627 -8.297 1.948 1.00 0.00 H new ATOM 0 HH TYR A 60 8.254 -9.905 3.139 1.00 0.00 H new ATOM 947 N ILE A 61 7.054 -3.015 3.529 1.00 0.00 N ATOM 948 CA ILE A 61 8.146 -2.649 2.629 1.00 0.00 C ATOM 949 C ILE A 61 9.367 -2.210 3.424 1.00 0.00 C ATOM 950 O ILE A 61 10.412 -2.860 3.392 1.00 0.00 O ATOM 951 CB ILE A 61 7.742 -1.503 1.683 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.436 -1.827 0.965 1.00 0.00 C ATOM 953 CG2 ILE A 61 8.844 -1.230 0.669 1.00 0.00 C ATOM 954 CD1 ILE A 61 5.824 -0.621 0.298 1.00 0.00 C ATOM 0 H ILE A 61 6.167 -2.552 3.330 1.00 0.00 H new ATOM 0 HA ILE A 61 8.380 -3.534 2.037 1.00 0.00 H new ATOM 0 HB ILE A 61 7.592 -0.607 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.619 -2.597 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.726 -2.241 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.539 -0.417 0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.758 -0.950 1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.025 -2.128 0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.897 -0.910 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.612 0.141 1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.520 -0.221 -0.440 1.00 0.00 H new ATOM 966 N MET A 62 9.215 -1.104 4.146 1.00 0.00 N ATOM 967 CA MET A 62 10.273 -0.605 5.020 1.00 0.00 C ATOM 968 C MET A 62 10.836 -1.718 5.905 1.00 0.00 C ATOM 969 O MET A 62 11.992 -2.114 5.755 1.00 0.00 O ATOM 970 CB MET A 62 9.749 0.537 5.892 1.00 0.00 C ATOM 971 CG MET A 62 9.370 1.781 5.103 1.00 0.00 C ATOM 972 SD MET A 62 10.761 2.476 4.190 1.00 0.00 S ATOM 973 CE MET A 62 9.982 3.887 3.410 1.00 0.00 C ATOM 0 H MET A 62 8.368 -0.535 4.143 1.00 0.00 H new ATOM 0 HA MET A 62 11.078 -0.233 4.386 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.877 0.189 6.447 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.510 0.801 6.627 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.570 1.534 4.405 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.976 2.534 5.786 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.717 4.421 2.808 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.168 3.546 2.771 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.587 4.554 4.176 1.00 0.00 H new ATOM 983 N THR A 63 10.016 -2.213 6.829 1.00 0.00 N ATOM 984 CA THR A 63 10.449 -3.255 7.757 1.00 0.00 C ATOM 985 C THR A 63 10.867 -4.520 7.013 1.00 0.00 C ATOM 986 O THR A 63 10.762 -4.596 5.789 1.00 0.00 O ATOM 987 CB THR A 63 9.342 -3.607 8.771 1.00 0.00 C ATOM 988 OG1 THR A 63 9.888 -4.392 9.839 1.00 0.00 O ATOM 989 CG2 THR A 63 8.217 -4.377 8.102 1.00 0.00 C ATOM 0 H THR A 63 9.050 -1.910 6.955 1.00 0.00 H new ATOM 0 HA THR A 63 11.308 -2.856 8.297 1.00 0.00 H new ATOM 0 HB THR A 63 8.939 -2.676 9.169 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.179 -4.610 10.480 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.449 -4.613 8.839 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.783 -3.770 7.307 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.610 -5.301 7.679 1.00 0.00 H new ATOM 997 N LYS A 64 11.339 -5.513 7.764 1.00 0.00 N ATOM 998 CA LYS A 64 11.751 -6.789 7.185 1.00 0.00 C ATOM 999 C LYS A 64 12.877 -6.593 6.174 1.00 0.00 C ATOM 1000 O LYS A 64 13.143 -7.471 5.354 1.00 0.00 O ATOM 1001 CB LYS A 64 10.561 -7.481 6.516 1.00 0.00 C ATOM 1002 CG LYS A 64 9.387 -7.720 7.453 1.00 0.00 C ATOM 1003 CD LYS A 64 9.748 -8.690 8.568 1.00 0.00 C ATOM 1004 CE LYS A 64 8.579 -8.911 9.515 1.00 0.00 C ATOM 1005 NZ LYS A 64 8.922 -9.860 10.610 1.00 0.00 N ATOM 0 H LYS A 64 11.446 -5.458 8.777 1.00 0.00 H new ATOM 0 HA LYS A 64 12.120 -7.421 7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.225 -6.875 5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.890 -8.437 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.067 -6.772 7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.543 -8.114 6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.054 -9.643 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.601 -8.304 9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.274 -7.957 9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.726 -9.296 8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.099 -9.983 11.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.188 -10.779 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.719 -9.482 11.160 1.00 0.00 H new ATOM 1019 N ARG A 65 13.548 -5.448 6.268 1.00 0.00 N ATOM 1020 CA ARG A 65 14.729 -5.153 5.452 1.00 0.00 C ATOM 1021 C ARG A 65 14.603 -5.714 4.035 1.00 0.00 C ATOM 1022 O ARG A 65 15.323 -6.638 3.654 1.00 0.00 O ATOM 1023 CB ARG A 65 15.997 -5.692 6.126 1.00 0.00 C ATOM 1024 CG ARG A 65 15.943 -7.176 6.456 1.00 0.00 C ATOM 1025 CD ARG A 65 17.252 -7.661 7.057 1.00 0.00 C ATOM 1026 NE ARG A 65 18.377 -7.467 6.147 1.00 0.00 N ATOM 1027 CZ ARG A 65 19.628 -7.811 6.435 1.00 0.00 C ATOM 1028 NH1 ARG A 65 19.915 -8.364 7.607 1.00 0.00 N ATOM 1029 NH2 ARG A 65 20.595 -7.602 5.552 1.00 0.00 N ATOM 0 H ARG A 65 13.291 -4.698 6.910 1.00 0.00 H new ATOM 0 HA ARG A 65 14.802 -4.069 5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.849 -5.507 5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.173 -5.133 7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.128 -7.365 7.155 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.725 -7.743 5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.443 -7.128 7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.166 -8.718 7.307 1.00 0.00 H new ATOM 0 HE ARG A 65 18.192 -7.043 5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.174 -8.526 8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.876 -8.627 7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.379 -7.177 4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.555 -7.867 5.774 1.00 0.00 H new ATOM 1043 N LEU A 66 13.710 -5.121 3.248 1.00 0.00 N ATOM 1044 CA LEU A 66 13.642 -5.408 1.818 1.00 0.00 C ATOM 1045 C LEU A 66 14.107 -4.206 1.001 1.00 0.00 C ATOM 1046 O LEU A 66 14.520 -4.347 -0.149 1.00 0.00 O ATOM 1047 CB LEU A 66 12.214 -5.790 1.410 1.00 0.00 C ATOM 1048 CG LEU A 66 11.939 -7.295 1.301 1.00 0.00 C ATOM 1049 CD1 LEU A 66 12.958 -7.965 0.392 1.00 0.00 C ATOM 1050 CD2 LEU A 66 11.938 -7.945 2.675 1.00 0.00 C ATOM 0 H LEU A 66 13.025 -4.440 3.575 1.00 0.00 H new ATOM 0 HA LEU A 66 14.305 -6.249 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.521 -5.363 2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.994 -5.327 0.448 1.00 0.00 H new ATOM 0 HG LEU A 66 10.950 -7.427 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.744 -9.032 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.903 -7.525 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.959 -7.819 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.741 -9.012 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.910 -7.799 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.163 -7.490 3.292 1.00 0.00 H new ATOM 1062 N TYR A 67 14.028 -3.022 1.603 1.00 0.00 N ATOM 1063 CA TYR A 67 14.388 -1.786 0.914 1.00 0.00 C ATOM 1064 C TYR A 67 15.885 -1.740 0.616 1.00 0.00 C ATOM 1065 O TYR A 67 16.646 -2.579 1.098 1.00 0.00 O ATOM 1066 CB TYR A 67 13.974 -0.568 1.746 1.00 0.00 C ATOM 1067 CG TYR A 67 14.685 -0.454 3.078 1.00 0.00 C ATOM 1068 CD1 TYR A 67 14.464 -1.379 4.092 1.00 0.00 C ATOM 1069 CD2 TYR A 67 15.572 0.585 3.323 1.00 0.00 C ATOM 1070 CE1 TYR A 67 15.108 -1.272 5.309 1.00 0.00 C ATOM 1071 CE2 TYR A 67 16.219 0.700 4.538 1.00 0.00 C ATOM 1072 CZ TYR A 67 15.984 -0.232 5.526 1.00 0.00 C ATOM 1073 OH TYR A 67 16.629 -0.121 6.738 1.00 0.00 O ATOM 0 H TYR A 67 13.718 -2.893 2.566 1.00 0.00 H new ATOM 0 HA TYR A 67 13.852 -1.761 -0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.165 0.335 1.167 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.899 -0.612 1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 67 13.777 -2.195 3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.760 1.316 2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 67 14.926 -2.000 6.086 1.00 0.00 H new ATOM 0 HE2 TYR A 67 16.905 1.516 4.713 1.00 0.00 H new ATOM 0 HH TYR A 67 17.212 0.666 6.727 1.00 0.00 H new ATOM 1083 N ASP A 68 16.298 -0.767 -0.195 1.00 0.00 N ATOM 1084 CA ASP A 68 17.687 -0.674 -0.640 1.00 0.00 C ATOM 1085 C ASP A 68 18.646 -0.766 0.534 1.00 0.00 C ATOM 1086 O ASP A 68 19.783 -1.217 0.387 1.00 0.00 O ATOM 1087 CB ASP A 68 17.926 0.646 -1.375 1.00 0.00 C ATOM 1088 CG ASP A 68 18.935 0.512 -2.498 1.00 0.00 C ATOM 1089 OD1 ASP A 68 19.892 -0.276 -2.344 1.00 0.00 O ATOM 1090 OD2 ASP A 68 18.769 1.195 -3.530 1.00 0.00 O ATOM 0 H ASP A 68 15.690 -0.032 -0.557 1.00 0.00 H new ATOM 0 HA ASP A 68 17.871 -1.510 -1.315 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.981 1.008 -1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 68 18.275 1.395 -0.665 1.00 0.00 H new ATOM 1095 N GLU A 69 18.194 -0.277 1.680 1.00 0.00 N ATOM 1096 CA GLU A 69 19.084 0.046 2.786 1.00 0.00 C ATOM 1097 C GLU A 69 19.995 1.205 2.408 1.00 0.00 C ATOM 1098 O GLU A 69 20.880 1.591 3.175 1.00 0.00 O ATOM 1099 CB GLU A 69 19.915 -1.173 3.190 1.00 0.00 C ATOM 1100 CG GLU A 69 19.097 -2.445 3.305 1.00 0.00 C ATOM 1101 CD GLU A 69 19.936 -3.650 3.678 1.00 0.00 C ATOM 1102 OE1 GLU A 69 20.440 -4.330 2.758 1.00 0.00 O ATOM 1103 OE2 GLU A 69 20.092 -3.916 4.889 1.00 0.00 O ATOM 0 H GLU A 69 17.208 -0.094 1.869 1.00 0.00 H new ATOM 0 HA GLU A 69 18.475 0.341 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 69 20.707 -1.324 2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.400 -0.973 4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.318 -2.304 4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.596 -2.636 2.356 1.00 0.00 H new ATOM 1110 N LYS A 70 19.768 1.764 1.223 1.00 0.00 N ATOM 1111 CA LYS A 70 20.542 2.907 0.754 1.00 0.00 C ATOM 1112 C LYS A 70 19.767 4.208 0.941 1.00 0.00 C ATOM 1113 O LYS A 70 20.175 5.080 1.707 1.00 0.00 O ATOM 1114 CB LYS A 70 20.920 2.730 -0.718 1.00 0.00 C ATOM 1115 CG LYS A 70 21.872 1.571 -0.968 1.00 0.00 C ATOM 1116 CD LYS A 70 23.215 1.793 -0.291 1.00 0.00 C ATOM 1117 CE LYS A 70 24.166 0.634 -0.545 1.00 0.00 C ATOM 1118 NZ LYS A 70 25.485 0.843 0.113 1.00 0.00 N ATOM 0 H LYS A 70 19.053 1.443 0.570 1.00 0.00 H new ATOM 0 HA LYS A 70 21.453 2.961 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.012 2.576 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.379 3.650 -1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.426 0.647 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 70 22.021 1.447 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.660 2.718 -0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 70 23.067 1.915 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.719 -0.290 -0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 70 24.311 0.512 -1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 26.104 0.031 -0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 25.924 1.711 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 25.350 0.934 1.140 1.00 0.00 H new ATOM 1132 N GLN A 71 18.647 4.333 0.235 1.00 0.00 N ATOM 1133 CA GLN A 71 17.820 5.532 0.322 1.00 0.00 C ATOM 1134 C GLN A 71 16.367 5.176 0.607 1.00 0.00 C ATOM 1135 O GLN A 71 15.476 6.015 0.487 1.00 0.00 O ATOM 1136 CB GLN A 71 17.918 6.341 -0.974 1.00 0.00 C ATOM 1137 CG GLN A 71 17.506 5.559 -2.211 1.00 0.00 C ATOM 1138 CD GLN A 71 17.611 6.377 -3.485 1.00 0.00 C ATOM 1139 OE1 GLN A 71 17.871 5.839 -4.561 1.00 0.00 O ATOM 1140 NE2 GLN A 71 17.407 7.685 -3.370 1.00 0.00 N ATOM 0 H GLN A 71 18.292 3.620 -0.402 1.00 0.00 H new ATOM 0 HA GLN A 71 18.192 6.138 1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.289 7.227 -0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 71 18.943 6.689 -1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.134 4.673 -2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.480 5.212 -2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.194 8.090 -2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.463 8.284 -4.193 1.00 0.00 H new ATOM 1149 N GLN A 72 16.142 3.926 0.998 1.00 0.00 N ATOM 1150 CA GLN A 72 14.806 3.457 1.357 1.00 0.00 C ATOM 1151 C GLN A 72 13.810 3.703 0.226 1.00 0.00 C ATOM 1152 O GLN A 72 12.597 3.665 0.435 1.00 0.00 O ATOM 1153 CB GLN A 72 14.325 4.153 2.632 1.00 0.00 C ATOM 1154 CG GLN A 72 15.285 4.017 3.800 1.00 0.00 C ATOM 1155 CD GLN A 72 14.790 4.720 5.049 1.00 0.00 C ATOM 1156 OE1 GLN A 72 15.075 5.898 5.265 1.00 0.00 O ATOM 1157 NE2 GLN A 72 14.043 4.000 5.877 1.00 0.00 N ATOM 0 H GLN A 72 16.870 3.216 1.075 1.00 0.00 H new ATOM 0 HA GLN A 72 14.866 2.383 1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.170 5.211 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.358 3.740 2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.437 2.960 4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.255 4.427 3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.832 3.027 5.658 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.680 4.420 6.733 1.00 0.00 H new ATOM 1166 N HIS A 73 14.328 3.960 -0.973 1.00 0.00 N ATOM 1167 CA HIS A 73 13.481 4.243 -2.127 1.00 0.00 C ATOM 1168 C HIS A 73 13.362 3.015 -3.025 1.00 0.00 C ATOM 1169 O HIS A 73 12.265 2.503 -3.247 1.00 0.00 O ATOM 1170 CB HIS A 73 14.043 5.423 -2.923 1.00 0.00 C ATOM 1171 CG HIS A 73 13.210 5.803 -4.105 1.00 0.00 C ATOM 1172 ND1 HIS A 73 13.589 5.555 -5.407 1.00 0.00 N ATOM 1173 CD2 HIS A 73 12.008 6.424 -4.180 1.00 0.00 C ATOM 1174 CE1 HIS A 73 12.659 6.004 -6.230 1.00 0.00 C ATOM 1175 NE2 HIS A 73 11.688 6.536 -5.510 1.00 0.00 N ATOM 0 H HIS A 73 15.329 3.978 -1.170 1.00 0.00 H new ATOM 0 HA HIS A 73 12.487 4.503 -1.764 1.00 0.00 H new ATOM 0 HB2 HIS A 73 14.134 6.285 -2.262 1.00 0.00 H new ATOM 0 HB3 HIS A 73 15.048 5.174 -3.263 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.412 6.767 -3.347 1.00 0.00 H new ATOM 0 HE1 HIS A 73 12.688 5.946 -7.308 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.839 6.961 -5.882 1.00 0.00 H new ATOM 1184 N ILE A 74 14.496 2.534 -3.526 1.00 0.00 N ATOM 1185 CA ILE A 74 14.512 1.305 -4.307 1.00 0.00 C ATOM 1186 C ILE A 74 14.462 0.091 -3.390 1.00 0.00 C ATOM 1187 O ILE A 74 15.480 -0.322 -2.835 1.00 0.00 O ATOM 1188 CB ILE A 74 15.764 1.200 -5.201 1.00 0.00 C ATOM 1189 CG1 ILE A 74 16.024 2.518 -5.934 1.00 0.00 C ATOM 1190 CG2 ILE A 74 15.601 0.065 -6.199 1.00 0.00 C ATOM 1191 CD1 ILE A 74 14.872 2.969 -6.809 1.00 0.00 C ATOM 0 H ILE A 74 15.408 2.974 -3.406 1.00 0.00 H new ATOM 0 HA ILE A 74 13.631 1.330 -4.948 1.00 0.00 H new ATOM 0 HB ILE A 74 16.623 0.991 -4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.236 3.295 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.916 2.410 -6.551 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.491 0.000 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.465 -0.874 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 74 14.730 0.254 -6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 74 15.131 3.910 -7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.673 2.212 -7.567 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.983 3.111 -6.195 1.00 0.00 H new ATOM 1203 N VAL A 75 13.272 -0.468 -3.224 1.00 0.00 N ATOM 1204 CA VAL A 75 13.083 -1.590 -2.318 1.00 0.00 C ATOM 1205 C VAL A 75 13.030 -2.905 -3.086 1.00 0.00 C ATOM 1206 O VAL A 75 12.028 -3.231 -3.725 1.00 0.00 O ATOM 1207 CB VAL A 75 11.802 -1.424 -1.474 1.00 0.00 C ATOM 1208 CG1 VAL A 75 10.682 -0.828 -2.312 1.00 0.00 C ATOM 1209 CG2 VAL A 75 11.381 -2.748 -0.854 1.00 0.00 C ATOM 0 H VAL A 75 12.425 -0.163 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 75 13.939 -1.609 -1.643 1.00 0.00 H new ATOM 0 HB VAL A 75 12.018 -0.733 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.787 -0.719 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.988 0.149 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.467 -1.487 -3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.476 -2.602 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.187 -3.474 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.178 -3.118 -0.209 1.00 0.00 H new ATOM 1219 N TYR A 76 14.129 -3.649 -3.029 1.00 0.00 N ATOM 1220 CA TYR A 76 14.242 -4.910 -3.750 1.00 0.00 C ATOM 1221 C TYR A 76 13.360 -5.981 -3.122 1.00 0.00 C ATOM 1222 O TYR A 76 13.134 -5.984 -1.912 1.00 0.00 O ATOM 1223 CB TYR A 76 15.700 -5.367 -3.764 1.00 0.00 C ATOM 1224 CG TYR A 76 16.671 -4.243 -4.046 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.599 -3.525 -5.231 1.00 0.00 C ATOM 1226 CD2 TYR A 76 17.654 -3.900 -3.127 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.484 -2.495 -5.495 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.538 -2.871 -3.383 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.451 -2.174 -4.568 1.00 0.00 C ATOM 1230 OH TYR A 76 19.332 -1.150 -4.829 1.00 0.00 O ATOM 0 H TYR A 76 14.957 -3.399 -2.488 1.00 0.00 H new ATOM 0 HA TYR A 76 13.903 -4.754 -4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 76 15.943 -5.816 -2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 76 15.824 -6.144 -4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.841 -3.774 -5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 76 17.728 -4.446 -2.198 1.00 0.00 H new ATOM 0 HE1 TYR A 76 17.417 -1.946 -6.423 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.295 -2.613 -2.657 1.00 0.00 H new ATOM 0 HH TYR A 76 19.960 -1.060 -4.082 1.00 0.00 H new ATOM 1240 N CYS A 77 12.861 -6.891 -3.954 1.00 0.00 N ATOM 1241 CA CYS A 77 12.009 -7.977 -3.480 1.00 0.00 C ATOM 1242 C CYS A 77 11.921 -9.093 -4.516 1.00 0.00 C ATOM 1243 O CYS A 77 10.831 -9.457 -4.963 1.00 0.00 O ATOM 1244 CB CYS A 77 10.608 -7.450 -3.156 1.00 0.00 C ATOM 1245 SG CYS A 77 9.809 -6.582 -4.525 1.00 0.00 S ATOM 0 H CYS A 77 13.032 -6.898 -4.960 1.00 0.00 H new ATOM 0 HA CYS A 77 12.454 -8.385 -2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 77 9.978 -8.287 -2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.674 -6.776 -2.302 1.00 0.00 H new ATOM 0 HG CYS A 77 10.326 -6.977 -5.650 1.00 0.00 H new ATOM 1251 N SER A 78 13.073 -9.639 -4.891 1.00 0.00 N ATOM 1252 CA SER A 78 13.125 -10.737 -5.851 1.00 0.00 C ATOM 1253 C SER A 78 12.686 -12.045 -5.202 1.00 0.00 C ATOM 1254 O SER A 78 12.532 -13.063 -5.878 1.00 0.00 O ATOM 1255 CB SER A 78 14.540 -10.882 -6.414 1.00 0.00 C ATOM 1256 OG SER A 78 14.610 -11.941 -7.353 1.00 0.00 O ATOM 0 H SER A 78 13.984 -9.339 -4.545 1.00 0.00 H new ATOM 0 HA SER A 78 12.439 -10.509 -6.667 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.843 -9.949 -6.890 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.241 -11.067 -5.600 1.00 0.00 H new ATOM 0 HG SER A 78 13.843 -12.538 -7.231 1.00 0.00 H new ATOM 1262 N ASN A 79 12.482 -12.008 -3.891 1.00 0.00 N ATOM 1263 CA ASN A 79 12.042 -13.182 -3.147 1.00 0.00 C ATOM 1264 C ASN A 79 11.464 -12.779 -1.793 1.00 0.00 C ATOM 1265 O ASN A 79 12.075 -13.016 -0.750 1.00 0.00 O ATOM 1266 CB ASN A 79 13.207 -14.155 -2.953 1.00 0.00 C ATOM 1267 CG ASN A 79 12.789 -15.424 -2.236 1.00 0.00 C ATOM 1268 OD1 ASN A 79 11.649 -15.870 -2.352 1.00 0.00 O ATOM 1269 ND2 ASN A 79 13.716 -16.014 -1.487 1.00 0.00 N ATOM 0 H ASN A 79 12.615 -11.174 -3.319 1.00 0.00 H new ATOM 0 HA ASN A 79 11.260 -13.677 -3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.627 -14.412 -3.925 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.996 -13.663 -2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.493 -16.871 -0.981 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.650 -15.610 -1.419 1.00 0.00 H new ATOM 1276 N ASP A 80 10.291 -12.157 -1.820 1.00 0.00 N ATOM 1277 CA ASP A 80 9.659 -11.664 -0.601 1.00 0.00 C ATOM 1278 C ASP A 80 8.139 -11.777 -0.693 1.00 0.00 C ATOM 1279 O ASP A 80 7.589 -12.054 -1.761 1.00 0.00 O ATOM 1280 CB ASP A 80 10.059 -10.207 -0.351 1.00 0.00 C ATOM 1281 CG ASP A 80 9.604 -9.707 1.005 1.00 0.00 C ATOM 1282 OD1 ASP A 80 9.767 -10.450 1.997 1.00 0.00 O ATOM 1283 OD2 ASP A 80 9.086 -8.573 1.076 1.00 0.00 O ATOM 0 H ASP A 80 9.758 -11.982 -2.672 1.00 0.00 H new ATOM 0 HA ASP A 80 10.001 -12.278 0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.142 -10.113 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.630 -9.577 -1.130 1.00 0.00 H new ATOM 1288 N LEU A 81 7.462 -11.539 0.423 1.00 0.00 N ATOM 1289 CA LEU A 81 6.007 -11.471 0.430 1.00 0.00 C ATOM 1290 C LEU A 81 5.529 -10.269 -0.380 1.00 0.00 C ATOM 1291 O LEU A 81 4.544 -10.354 -1.120 1.00 0.00 O ATOM 1292 CB LEU A 81 5.487 -11.396 1.866 1.00 0.00 C ATOM 1293 CG LEU A 81 5.927 -12.552 2.770 1.00 0.00 C ATOM 1294 CD1 LEU A 81 5.542 -12.283 4.217 1.00 0.00 C ATOM 1295 CD2 LEU A 81 5.323 -13.863 2.289 1.00 0.00 C ATOM 0 H LEU A 81 7.897 -11.390 1.334 1.00 0.00 H new ATOM 0 HA LEU A 81 5.611 -12.375 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.822 -10.458 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.398 -11.367 1.842 1.00 0.00 H new ATOM 0 HG LEU A 81 7.013 -12.633 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.864 -13.117 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.025 -11.367 4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.460 -12.172 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.646 -14.674 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.236 -13.792 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.654 -14.064 1.270 1.00 0.00 H new ATOM 1307 N LEU A 82 6.268 -9.167 -0.283 1.00 0.00 N ATOM 1308 CA LEU A 82 6.105 -8.060 -1.216 1.00 0.00 C ATOM 1309 C LEU A 82 6.190 -8.573 -2.651 1.00 0.00 C ATOM 1310 O LEU A 82 5.567 -8.024 -3.560 1.00 0.00 O ATOM 1311 CB LEU A 82 7.183 -6.994 -0.986 1.00 0.00 C ATOM 1312 CG LEU A 82 6.692 -5.542 -1.026 1.00 0.00 C ATOM 1313 CD1 LEU A 82 5.780 -5.311 -2.222 1.00 0.00 C ATOM 1314 CD2 LEU A 82 5.973 -5.185 0.266 1.00 0.00 C ATOM 0 H LEU A 82 6.982 -9.019 0.430 1.00 0.00 H new ATOM 0 HA LEU A 82 5.127 -7.610 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.649 -7.176 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.959 -7.118 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 82 7.562 -4.893 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.445 -4.274 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.326 -5.522 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.916 -5.971 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.632 -4.151 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.115 -5.844 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.656 -5.304 1.107 1.00 0.00 H new ATOM 1326 N GLY A 83 6.963 -9.638 -2.837 1.00 0.00 N ATOM 1327 CA GLY A 83 7.081 -10.259 -4.143 1.00 0.00 C ATOM 1328 C GLY A 83 5.784 -10.892 -4.604 1.00 0.00 C ATOM 1329 O GLY A 83 5.415 -10.780 -5.775 1.00 0.00 O ATOM 0 H GLY A 83 7.512 -10.084 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.395 -9.511 -4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.861 -11.019 -4.111 1.00 0.00 H new ATOM 1333 N ASP A 84 5.075 -11.540 -3.680 1.00 0.00 N ATOM 1334 CA ASP A 84 3.740 -12.061 -3.974 1.00 0.00 C ATOM 1335 C ASP A 84 2.873 -10.981 -4.605 1.00 0.00 C ATOM 1336 O ASP A 84 2.003 -11.269 -5.427 1.00 0.00 O ATOM 1337 CB ASP A 84 3.069 -12.596 -2.706 1.00 0.00 C ATOM 1338 CG ASP A 84 3.786 -13.805 -2.136 1.00 0.00 C ATOM 1339 OD1 ASP A 84 3.439 -14.939 -2.527 1.00 0.00 O ATOM 1340 OD2 ASP A 84 4.694 -13.616 -1.300 1.00 0.00 O ATOM 0 H ASP A 84 5.399 -11.716 -2.729 1.00 0.00 H new ATOM 0 HA ASP A 84 3.850 -12.884 -4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.039 -11.807 -1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.036 -12.862 -2.930 1.00 0.00 H new ATOM 1345 N LEU A 85 3.139 -9.731 -4.237 1.00 0.00 N ATOM 1346 CA LEU A 85 2.497 -8.593 -4.887 1.00 0.00 C ATOM 1347 C LEU A 85 3.082 -8.349 -6.270 1.00 0.00 C ATOM 1348 O LEU A 85 2.519 -8.772 -7.280 1.00 0.00 O ATOM 1349 CB LEU A 85 2.660 -7.330 -4.041 1.00 0.00 C ATOM 1350 CG LEU A 85 1.960 -7.363 -2.689 1.00 0.00 C ATOM 1351 CD1 LEU A 85 2.175 -6.056 -1.944 1.00 0.00 C ATOM 1352 CD2 LEU A 85 0.479 -7.638 -2.877 1.00 0.00 C ATOM 0 H LEU A 85 3.792 -9.481 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 85 1.438 -8.828 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.724 -7.156 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.281 -6.480 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 85 2.390 -8.167 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.667 -6.099 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.242 -5.899 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.770 -5.232 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.013 -7.660 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.038 -6.852 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.348 -8.600 -3.372 1.00 0.00 H new ATOM 1364 N PHE A 86 4.195 -7.628 -6.303 1.00 0.00 N ATOM 1365 CA PHE A 86 4.737 -7.116 -7.555 1.00 0.00 C ATOM 1366 C PHE A 86 5.506 -8.201 -8.302 1.00 0.00 C ATOM 1367 O PHE A 86 5.178 -8.537 -9.440 1.00 0.00 O ATOM 1368 CB PHE A 86 5.657 -5.919 -7.295 1.00 0.00 C ATOM 1369 CG PHE A 86 4.974 -4.755 -6.634 1.00 0.00 C ATOM 1370 CD1 PHE A 86 4.477 -4.866 -5.347 1.00 0.00 C ATOM 1371 CD2 PHE A 86 4.835 -3.544 -7.298 1.00 0.00 C ATOM 1372 CE1 PHE A 86 3.853 -3.798 -4.734 1.00 0.00 C ATOM 1373 CE2 PHE A 86 4.213 -2.473 -6.688 1.00 0.00 C ATOM 1374 CZ PHE A 86 3.722 -2.601 -5.406 1.00 0.00 C ATOM 0 H PHE A 86 4.741 -7.384 -5.476 1.00 0.00 H new ATOM 0 HA PHE A 86 3.898 -6.794 -8.172 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.489 -6.242 -6.669 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.082 -5.588 -8.243 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.579 -5.801 -4.815 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.217 -3.438 -8.302 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.468 -3.900 -3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.111 -1.536 -7.215 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.235 -1.764 -4.928 1.00 0.00 H new ATOM 1384 N GLY A 87 6.543 -8.727 -7.658 1.00 0.00 N ATOM 1385 CA GLY A 87 7.420 -9.679 -8.312 1.00 0.00 C ATOM 1386 C GLY A 87 8.718 -9.044 -8.767 1.00 0.00 C ATOM 1387 O GLY A 87 9.738 -9.722 -8.888 1.00 0.00 O ATOM 0 H GLY A 87 6.791 -8.510 -6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.639 -10.498 -7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.908 -10.111 -9.172 1.00 0.00 H new ATOM 1391 N VAL A 88 8.678 -7.737 -9.017 1.00 0.00 N ATOM 1392 CA VAL A 88 9.847 -6.996 -9.452 1.00 0.00 C ATOM 1393 C VAL A 88 11.042 -7.243 -8.537 1.00 0.00 C ATOM 1394 O VAL A 88 10.886 -7.373 -7.323 1.00 0.00 O ATOM 1395 CB VAL A 88 9.570 -5.485 -9.476 1.00 0.00 C ATOM 1396 CG1 VAL A 88 10.454 -4.826 -10.506 1.00 0.00 C ATOM 1397 CG2 VAL A 88 8.105 -5.193 -9.751 1.00 0.00 C ATOM 0 H VAL A 88 7.836 -7.169 -8.923 1.00 0.00 H new ATOM 0 HA VAL A 88 10.077 -7.349 -10.457 1.00 0.00 H new ATOM 0 HB VAL A 88 9.800 -5.074 -8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.257 -3.754 -10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.500 -4.999 -10.252 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.245 -5.248 -11.489 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.945 -4.115 -9.761 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.826 -5.610 -10.719 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.491 -5.644 -8.971 1.00 0.00 H new ATOM 1407 N PRO A 89 12.259 -7.257 -9.106 1.00 0.00 N ATOM 1408 CA PRO A 89 13.494 -7.194 -8.320 1.00 0.00 C ATOM 1409 C PRO A 89 13.594 -5.915 -7.490 1.00 0.00 C ATOM 1410 O PRO A 89 14.396 -5.834 -6.561 1.00 0.00 O ATOM 1411 CB PRO A 89 14.605 -7.235 -9.375 1.00 0.00 C ATOM 1412 CG PRO A 89 13.950 -6.822 -10.647 1.00 0.00 C ATOM 1413 CD PRO A 89 12.534 -7.312 -10.552 1.00 0.00 C ATOM 0 HA PRO A 89 13.550 -8.008 -7.597 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.420 -6.560 -9.115 1.00 0.00 H new ATOM 0 HB3 PRO A 89 15.032 -8.234 -9.458 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.982 -5.740 -10.771 1.00 0.00 H new ATOM 0 HG3 PRO A 89 14.458 -7.256 -11.508 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.850 -6.679 -11.117 1.00 0.00 H new ATOM 0 HD3 PRO A 89 12.430 -8.324 -10.944 1.00 0.00 H new ATOM 1421 N SER A 90 12.775 -4.921 -7.829 1.00 0.00 N ATOM 1422 CA SER A 90 12.780 -3.647 -7.114 1.00 0.00 C ATOM 1423 C SER A 90 11.595 -2.779 -7.523 1.00 0.00 C ATOM 1424 O SER A 90 11.232 -2.728 -8.697 1.00 0.00 O ATOM 1425 CB SER A 90 14.081 -2.892 -7.384 1.00 0.00 C ATOM 1426 OG SER A 90 14.276 -2.688 -8.772 1.00 0.00 O ATOM 0 H SER A 90 12.101 -4.973 -8.593 1.00 0.00 H new ATOM 0 HA SER A 90 12.699 -3.865 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.059 -1.930 -6.872 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.921 -3.452 -6.974 1.00 0.00 H new ATOM 0 HG SER A 90 15.114 -2.201 -8.917 1.00 0.00 H new ATOM 1432 N PHE A 91 11.011 -2.074 -6.558 1.00 0.00 N ATOM 1433 CA PHE A 91 9.953 -1.117 -6.859 1.00 0.00 C ATOM 1434 C PHE A 91 10.158 0.192 -6.107 1.00 0.00 C ATOM 1435 O PHE A 91 10.964 0.272 -5.181 1.00 0.00 O ATOM 1436 CB PHE A 91 8.575 -1.700 -6.532 1.00 0.00 C ATOM 1437 CG PHE A 91 8.342 -1.992 -5.075 1.00 0.00 C ATOM 1438 CD1 PHE A 91 8.749 -3.190 -4.511 1.00 0.00 C ATOM 1439 CD2 PHE A 91 7.690 -1.071 -4.275 1.00 0.00 C ATOM 1440 CE1 PHE A 91 8.513 -3.456 -3.174 1.00 0.00 C ATOM 1441 CE2 PHE A 91 7.447 -1.328 -2.943 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.859 -2.524 -2.389 1.00 0.00 C ATOM 0 H PHE A 91 11.250 -2.147 -5.569 1.00 0.00 H new ATOM 0 HA PHE A 91 9.999 -0.909 -7.928 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.811 -1.003 -6.875 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.443 -2.622 -7.098 1.00 0.00 H new ATOM 0 HD1 PHE A 91 9.255 -3.923 -5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.365 -0.134 -4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.839 -4.391 -2.743 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.936 -0.597 -2.334 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.671 -2.731 -1.346 1.00 0.00 H new ATOM 1452 N SER A 92 9.426 1.221 -6.525 1.00 0.00 N ATOM 1453 CA SER A 92 9.552 2.544 -5.930 1.00 0.00 C ATOM 1454 C SER A 92 8.596 2.695 -4.750 1.00 0.00 C ATOM 1455 O SER A 92 7.997 1.724 -4.295 1.00 0.00 O ATOM 1456 CB SER A 92 9.272 3.620 -6.980 1.00 0.00 C ATOM 1457 OG SER A 92 9.567 4.914 -6.482 1.00 0.00 O ATOM 0 H SER A 92 8.738 1.162 -7.276 1.00 0.00 H new ATOM 0 HA SER A 92 10.571 2.665 -5.564 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.869 3.426 -7.871 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.226 3.574 -7.281 1.00 0.00 H new ATOM 0 HG SER A 92 10.375 4.875 -5.929 1.00 0.00 H new ATOM 1463 N VAL A 93 8.488 3.911 -4.235 1.00 0.00 N ATOM 1464 CA VAL A 93 7.800 4.146 -2.970 1.00 0.00 C ATOM 1465 C VAL A 93 7.283 5.578 -2.882 1.00 0.00 C ATOM 1466 O VAL A 93 6.278 5.845 -2.222 1.00 0.00 O ATOM 1467 CB VAL A 93 8.732 3.874 -1.777 1.00 0.00 C ATOM 1468 CG1 VAL A 93 8.663 2.411 -1.361 1.00 0.00 C ATOM 1469 CG2 VAL A 93 10.154 4.273 -2.121 1.00 0.00 C ATOM 0 H VAL A 93 8.867 4.751 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 93 6.955 3.458 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 93 8.400 4.478 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.330 2.241 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.642 2.162 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.968 1.780 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.804 4.076 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.496 3.695 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.185 5.335 -2.363 1.00 0.00 H new ATOM 1479 N LYS A 94 7.977 6.496 -3.548 1.00 0.00 N ATOM 1480 CA LYS A 94 7.583 7.900 -3.550 1.00 0.00 C ATOM 1481 C LYS A 94 6.543 8.174 -4.632 1.00 0.00 C ATOM 1482 O LYS A 94 5.755 9.113 -4.526 1.00 0.00 O ATOM 1483 CB LYS A 94 8.805 8.798 -3.761 1.00 0.00 C ATOM 1484 CG LYS A 94 9.847 8.681 -2.658 1.00 0.00 C ATOM 1485 CD LYS A 94 9.299 9.144 -1.318 1.00 0.00 C ATOM 1486 CE LYS A 94 10.344 9.033 -0.220 1.00 0.00 C ATOM 1487 NZ LYS A 94 11.544 9.865 -0.508 1.00 0.00 N ATOM 0 H LYS A 94 8.815 6.292 -4.093 1.00 0.00 H new ATOM 0 HA LYS A 94 7.140 8.126 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.269 8.547 -4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.476 9.835 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.178 7.646 -2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.722 9.276 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.963 10.178 -1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.427 8.545 -1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.907 9.343 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.643 7.991 -0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.120 9.953 0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.107 9.414 -1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.244 10.810 -0.822 1.00 0.00 H new ATOM 1501 N GLU A 95 6.539 7.338 -5.666 1.00 0.00 N ATOM 1502 CA GLU A 95 5.540 7.436 -6.722 1.00 0.00 C ATOM 1503 C GLU A 95 4.258 6.712 -6.319 1.00 0.00 C ATOM 1504 O GLU A 95 3.723 5.905 -7.078 1.00 0.00 O ATOM 1505 CB GLU A 95 6.085 6.856 -8.031 1.00 0.00 C ATOM 1506 CG GLU A 95 6.537 5.407 -7.920 1.00 0.00 C ATOM 1507 CD GLU A 95 6.998 4.840 -9.248 1.00 0.00 C ATOM 1508 OE1 GLU A 95 8.199 4.971 -9.565 1.00 0.00 O ATOM 1509 OE2 GLU A 95 6.158 4.264 -9.971 1.00 0.00 O ATOM 0 H GLU A 95 7.216 6.586 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 95 5.309 8.490 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.314 6.929 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.925 7.464 -8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.350 5.338 -7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.716 4.802 -7.536 1.00 0.00 H new ATOM 1516 N HIS A 96 3.782 6.998 -5.111 1.00 0.00 N ATOM 1517 CA HIS A 96 2.636 6.292 -4.545 1.00 0.00 C ATOM 1518 C HIS A 96 1.422 6.366 -5.463 1.00 0.00 C ATOM 1519 O HIS A 96 0.504 5.557 -5.352 1.00 0.00 O ATOM 1520 CB HIS A 96 2.293 6.858 -3.166 1.00 0.00 C ATOM 1521 CG HIS A 96 2.256 8.354 -3.121 1.00 0.00 C ATOM 1522 ND1 HIS A 96 2.566 9.081 -1.991 1.00 0.00 N ATOM 1523 CD2 HIS A 96 1.939 9.261 -4.075 1.00 0.00 C ATOM 1524 CE1 HIS A 96 2.440 10.372 -2.253 1.00 0.00 C ATOM 1525 NE2 HIS A 96 2.062 10.507 -3.510 1.00 0.00 N ATOM 0 H HIS A 96 4.174 7.717 -4.503 1.00 0.00 H new ATOM 0 HA HIS A 96 2.911 5.242 -4.442 1.00 0.00 H new ATOM 0 HB2 HIS A 96 1.323 6.470 -2.855 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.026 6.500 -2.443 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.644 9.045 -5.091 1.00 0.00 H new ATOM 0 HE1 HIS A 96 2.617 11.178 -1.556 1.00 0.00 H new ATOM 0 HE2 HIS A 96 1.889 11.393 -3.985 1.00 0.00 H new ATOM 1534 N ARG A 97 1.434 7.314 -6.390 1.00 0.00 N ATOM 1535 CA ARG A 97 0.423 7.355 -7.436 1.00 0.00 C ATOM 1536 C ARG A 97 0.372 6.026 -8.186 1.00 0.00 C ATOM 1537 O ARG A 97 -0.596 5.271 -8.075 1.00 0.00 O ATOM 1538 CB ARG A 97 0.704 8.504 -8.406 1.00 0.00 C ATOM 1539 CG ARG A 97 2.177 8.686 -8.717 1.00 0.00 C ATOM 1540 CD ARG A 97 2.408 9.837 -9.684 1.00 0.00 C ATOM 1541 NE ARG A 97 3.825 10.022 -9.986 1.00 0.00 N ATOM 1542 CZ ARG A 97 4.284 10.909 -10.863 1.00 0.00 C ATOM 1543 NH1 ARG A 97 3.439 11.692 -11.522 1.00 0.00 N ATOM 1544 NH2 ARG A 97 5.587 11.016 -11.081 1.00 0.00 N ATOM 0 H ARG A 97 2.128 8.060 -6.439 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.547 7.524 -6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.164 8.325 -9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.313 9.430 -7.984 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.724 8.871 -7.793 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.575 7.766 -9.144 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.862 9.649 -10.608 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.005 10.756 -9.257 1.00 0.00 H new ATOM 0 HE ARG A 97 4.501 9.437 -9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.436 11.614 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.793 12.372 -12.195 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.240 10.417 -10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.937 11.697 -11.754 1.00 0.00 H new ATOM 1558 N LYS A 98 1.432 5.736 -8.934 1.00 0.00 N ATOM 1559 CA LYS A 98 1.529 4.484 -9.667 1.00 0.00 C ATOM 1560 C LYS A 98 1.736 3.312 -8.715 1.00 0.00 C ATOM 1561 O LYS A 98 0.995 2.333 -8.751 1.00 0.00 O ATOM 1562 CB LYS A 98 2.676 4.546 -10.678 1.00 0.00 C ATOM 1563 CG LYS A 98 2.526 5.660 -11.703 1.00 0.00 C ATOM 1564 CD LYS A 98 1.298 5.456 -12.577 1.00 0.00 C ATOM 1565 CE LYS A 98 1.143 6.579 -13.589 1.00 0.00 C ATOM 1566 NZ LYS A 98 -0.060 6.390 -14.447 1.00 0.00 N ATOM 0 H LYS A 98 2.236 6.354 -9.047 1.00 0.00 H new ATOM 0 HA LYS A 98 0.592 4.332 -10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.615 4.682 -10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.742 3.591 -11.199 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.453 6.619 -11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.417 5.701 -12.330 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.376 4.502 -13.099 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.408 5.404 -11.950 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.070 7.532 -13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.033 6.628 -14.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.131 7.176 -15.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.021 5.493 -14.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.912 6.369 -13.851 1.00 0.00 H new ATOM 1580 N ILE A 99 2.765 3.414 -7.887 1.00 0.00 N ATOM 1581 CA ILE A 99 3.206 2.290 -7.068 1.00 0.00 C ATOM 1582 C ILE A 99 2.050 1.688 -6.273 1.00 0.00 C ATOM 1583 O ILE A 99 2.041 0.488 -5.984 1.00 0.00 O ATOM 1584 CB ILE A 99 4.367 2.703 -6.126 1.00 0.00 C ATOM 1585 CG1 ILE A 99 5.428 1.602 -6.099 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.881 2.997 -4.714 1.00 0.00 C ATOM 1587 CD1 ILE A 99 5.021 0.396 -5.286 1.00 0.00 C ATOM 0 H ILE A 99 3.313 4.265 -7.763 1.00 0.00 H new ATOM 0 HA ILE A 99 3.578 1.522 -7.746 1.00 0.00 H new ATOM 0 HB ILE A 99 4.801 3.623 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.640 1.287 -7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.353 2.010 -5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.728 3.282 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.159 3.813 -4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.408 2.107 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.820 -0.345 -5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.837 0.698 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.112 -0.036 -5.706 1.00 0.00 H new ATOM 1599 N TYR A 100 1.055 2.509 -5.951 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.123 2.026 -5.242 1.00 0.00 C ATOM 1601 C TYR A 100 -1.171 1.478 -6.207 1.00 0.00 C ATOM 1602 O TYR A 100 -1.782 0.442 -5.942 1.00 0.00 O ATOM 1603 CB TYR A 100 -0.723 3.134 -4.379 1.00 0.00 C ATOM 1604 CG TYR A 100 0.071 3.390 -3.118 1.00 0.00 C ATOM 1605 CD1 TYR A 100 1.244 2.691 -2.867 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.351 4.323 -2.179 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.974 2.911 -1.721 1.00 0.00 C ATOM 1608 CE2 TYR A 100 0.376 4.548 -1.026 1.00 0.00 C ATOM 1609 CZ TYR A 100 1.538 3.840 -0.801 1.00 0.00 C ATOM 1610 OH TYR A 100 2.264 4.062 0.346 1.00 0.00 O ATOM 0 H TYR A 100 1.041 3.505 -6.168 1.00 0.00 H new ATOM 0 HA TYR A 100 0.194 1.209 -4.594 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.777 4.053 -4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.745 2.866 -4.111 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.590 1.961 -3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.260 4.880 -2.353 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.885 2.358 -1.543 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.036 5.275 -0.304 1.00 0.00 H new ATOM 0 HH TYR A 100 1.820 4.748 0.887 1.00 0.00 H new ATOM 1620 N THR A 101 -1.369 2.165 -7.331 1.00 0.00 N ATOM 1621 CA THR A 101 -2.303 1.687 -8.344 1.00 0.00 C ATOM 1622 C THR A 101 -1.800 0.394 -8.982 1.00 0.00 C ATOM 1623 O THR A 101 -2.519 -0.255 -9.742 1.00 0.00 O ATOM 1624 CB THR A 101 -2.552 2.738 -9.444 1.00 0.00 C ATOM 1625 OG1 THR A 101 -3.722 2.391 -10.196 1.00 0.00 O ATOM 1626 CG2 THR A 101 -1.364 2.840 -10.385 1.00 0.00 C ATOM 0 H THR A 101 -0.902 3.042 -7.560 1.00 0.00 H new ATOM 0 HA THR A 101 -3.247 1.497 -7.834 1.00 0.00 H new ATOM 0 HB THR A 101 -2.696 3.703 -8.959 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.698 1.437 -10.417 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.569 3.589 -11.150 1.00 0.00 H new ATOM 0 HG22 THR A 101 -0.477 3.130 -9.821 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.192 1.874 -10.860 1.00 0.00 H new ATOM 1634 N MET A 102 -0.573 0.006 -8.636 1.00 0.00 N ATOM 1635 CA MET A 102 -0.057 -1.310 -9.004 1.00 0.00 C ATOM 1636 C MET A 102 -0.315 -2.313 -7.890 1.00 0.00 C ATOM 1637 O MET A 102 -0.677 -3.460 -8.152 1.00 0.00 O ATOM 1638 CB MET A 102 1.443 -1.246 -9.297 1.00 0.00 C ATOM 1639 CG MET A 102 1.835 -0.098 -10.206 1.00 0.00 C ATOM 1640 SD MET A 102 3.574 -0.140 -10.682 1.00 0.00 S ATOM 1641 CE MET A 102 4.368 -0.161 -9.076 1.00 0.00 C ATOM 0 H MET A 102 0.079 0.582 -8.104 1.00 0.00 H new ATOM 0 HA MET A 102 -0.578 -1.632 -9.906 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.985 -1.155 -8.356 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.756 -2.184 -9.755 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.217 -0.125 -11.104 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.624 0.845 -9.702 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.065 0.674 -9.004 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.612 -0.072 -8.295 1.00 0.00 H new ATOM 0 HE3 MET A 102 4.910 -1.098 -8.951 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.131 -1.873 -6.645 1.00 0.00 N ATOM 1652 CA ILE A 103 -0.408 -2.723 -5.495 1.00 0.00 C ATOM 1653 C ILE A 103 -1.768 -3.400 -5.631 1.00 0.00 C ATOM 1654 O ILE A 103 -1.914 -4.587 -5.339 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.377 -1.931 -4.169 1.00 0.00 C ATOM 1656 CG1 ILE A 103 1.038 -1.425 -3.882 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -0.878 -2.796 -3.020 1.00 0.00 C ATOM 1658 CD1 ILE A 103 1.159 -0.660 -2.582 1.00 0.00 C ATOM 0 H ILE A 103 0.206 -0.939 -6.412 1.00 0.00 H new ATOM 0 HA ILE A 103 0.379 -3.477 -5.472 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.038 -1.070 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.720 -2.275 -3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.358 -0.783 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.849 -2.222 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.902 -3.110 -3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.241 -3.675 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.190 -0.333 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.503 0.210 -2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.871 -1.305 -1.752 1.00 0.00 H new ATOM 1670 N TYR A 104 -2.762 -2.632 -6.065 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.128 -3.133 -6.163 1.00 0.00 C ATOM 1672 C TYR A 104 -4.488 -3.464 -7.607 1.00 0.00 C ATOM 1673 O TYR A 104 -4.869 -2.587 -8.381 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.110 -2.104 -5.601 1.00 0.00 C ATOM 1675 CG TYR A 104 -4.889 -1.800 -4.136 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -3.851 -0.972 -3.729 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -5.715 -2.344 -3.162 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -3.643 -0.694 -2.392 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -5.514 -2.072 -1.822 1.00 0.00 C ATOM 1680 CZ TYR A 104 -4.477 -1.245 -1.442 1.00 0.00 C ATOM 1681 OH TYR A 104 -4.273 -0.971 -0.111 1.00 0.00 O ATOM 0 H TYR A 104 -2.647 -1.661 -6.354 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.195 -4.049 -5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.024 -1.180 -6.173 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.127 -2.470 -5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -3.196 -0.538 -4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.528 -2.991 -3.456 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -2.831 -0.048 -2.092 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.165 -2.504 -1.077 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.782 -0.172 0.140 1.00 0.00 H new