USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -155:sc= 1.26 (180deg=0.973) USER MOD Set 2.1: A 24 ASN : amide:sc= -13.5! K(o=-22!,f=-13) USER MOD Set 2.2: A 26 HIS : no HE2:sc= -8.26! C(o=-22!,f=-18!) USER MOD Single : A 3 TYR OH : rot 59:sc= 0.851 USER MOD Single : A 7 ASN : amide:sc= -1.75 K(o=-1.7,f=-6.2!) USER MOD Single : A 19 MET CE :methyl -172:sc=-0.00363 (180deg=-0.121) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.05 K(o=-1.1,f=-1.6) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 34 THR OG1 : rot -59:sc= 0.165 USER MOD Single : A 36 ASN : amide:sc= -1.32 K(o=-1.3,f=-2!) USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.362 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.583 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -78:sc= 1.44 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0024 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0272 K(o=-0.027,f=-1.8!) USER MOD Single : A 65 GLN : amide:sc=-0.00115 K(o=-0.0012,f=-0.78) USER MOD Single : A 69 LYS NZ :NH3+ -132:sc=-0.00615 (180deg=-0.832) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 95:sc= 0.0595 USER MOD Single : A 80 LYS NZ :NH3+ 171:sc= 0.996 (180deg=0.74) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N CYS A 2 5.814 -2.862 3.104 1.00 0.00 N ATOM 13 CA CYS A 2 6.642 -4.047 2.855 1.00 0.00 C ATOM 14 C CYS A 2 6.732 -4.924 4.104 1.00 0.00 C ATOM 15 O CYS A 2 7.484 -4.624 5.031 1.00 0.00 O ATOM 16 CB CYS A 2 8.049 -3.617 2.412 1.00 0.00 C ATOM 17 SG CYS A 2 8.169 -3.607 0.603 1.00 0.00 S ATOM 0 HA CYS A 2 6.176 -4.631 2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 2 8.272 -2.624 2.803 1.00 0.00 H new ATOM 0 HB3 CYS A 2 8.792 -4.298 2.828 1.00 0.00 H new ATOM 22 N TYR A 3 5.970 -6.017 4.113 1.00 0.00 N ATOM 23 CA TYR A 3 5.972 -6.946 5.245 1.00 0.00 C ATOM 24 C TYR A 3 5.728 -8.376 4.772 1.00 0.00 C ATOM 25 O TYR A 3 5.590 -8.630 3.574 1.00 0.00 O ATOM 26 CB TYR A 3 4.898 -6.544 6.254 1.00 0.00 C ATOM 27 CG TYR A 3 3.543 -6.614 5.597 1.00 0.00 C ATOM 28 CD1 TYR A 3 3.059 -5.514 4.879 1.00 0.00 C ATOM 29 CD2 TYR A 3 2.770 -7.775 5.706 1.00 0.00 C ATOM 30 CE1 TYR A 3 1.801 -5.577 4.269 1.00 0.00 C ATOM 31 CE2 TYR A 3 1.513 -7.837 5.097 1.00 0.00 C ATOM 32 CZ TYR A 3 1.028 -6.739 4.378 1.00 0.00 C ATOM 33 OH TYR A 3 -0.215 -6.803 3.781 1.00 0.00 O ATOM 0 H TYR A 3 5.345 -6.281 3.352 1.00 0.00 H new ATOM 0 HA TYR A 3 6.950 -6.901 5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.930 -7.207 7.119 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.086 -5.534 6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.656 -4.618 4.796 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.144 -8.623 6.260 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.427 -4.729 3.714 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.916 -8.733 5.182 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.122 -6.662 2.816 1.00 0.00 H new ATOM 43 N PHE A 4 5.703 -9.317 5.722 1.00 0.00 N ATOM 44 CA PHE A 4 5.504 -10.735 5.393 1.00 0.00 C ATOM 45 C PHE A 4 4.482 -11.401 6.313 1.00 0.00 C ATOM 46 O PHE A 4 4.409 -11.107 7.506 1.00 0.00 O ATOM 47 CB PHE A 4 6.833 -11.475 5.544 1.00 0.00 C ATOM 48 CG PHE A 4 7.877 -10.820 4.674 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.651 -9.771 5.183 1.00 0.00 C ATOM 50 CD2 PHE A 4 8.073 -11.264 3.362 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.621 -9.164 4.377 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.043 -10.656 2.556 1.00 0.00 C ATOM 53 CZ PHE A 4 9.819 -9.606 3.064 1.00 0.00 C ATOM 0 H PHE A 4 5.817 -9.126 6.717 1.00 0.00 H new ATOM 0 HA PHE A 4 5.132 -10.785 4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.152 -11.461 6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.713 -12.521 5.261 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.500 -9.430 6.197 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.477 -12.075 2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.217 -8.353 4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.193 -10.997 1.542 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.569 -9.138 2.443 1.00 0.00 H new ATOM 63 N ILE A 5 3.709 -12.318 5.736 1.00 0.00 N ATOM 64 CA ILE A 5 2.696 -13.068 6.478 1.00 0.00 C ATOM 65 C ILE A 5 3.073 -14.557 6.469 1.00 0.00 C ATOM 66 O ILE A 5 3.378 -15.096 5.405 1.00 0.00 O ATOM 67 CB ILE A 5 1.340 -12.899 5.789 1.00 0.00 C ATOM 68 CG1 ILE A 5 0.993 -11.407 5.688 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.261 -13.614 6.597 1.00 0.00 C ATOM 70 CD1 ILE A 5 -0.171 -11.201 4.707 1.00 0.00 C ATOM 0 H ILE A 5 3.765 -12.562 4.747 1.00 0.00 H new ATOM 0 HA ILE A 5 2.641 -12.700 7.502 1.00 0.00 H new ATOM 0 HB ILE A 5 1.392 -13.329 4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.723 -11.021 6.671 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.865 -10.845 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.703 -13.492 6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.501 -14.675 6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.213 -13.187 7.599 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.409 -10.139 4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.114 -11.569 3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.045 -11.748 5.060 1.00 0.00 H new ATOM 82 N PRO A 6 3.056 -15.248 7.591 1.00 0.00 N ATOM 83 CA PRO A 6 3.403 -16.699 7.617 1.00 0.00 C ATOM 84 C PRO A 6 2.303 -17.558 7.009 1.00 0.00 C ATOM 85 O PRO A 6 1.201 -17.081 6.755 1.00 0.00 O ATOM 86 CB PRO A 6 3.594 -17.022 9.105 1.00 0.00 C ATOM 87 CG PRO A 6 2.786 -15.992 9.841 1.00 0.00 C ATOM 88 CD PRO A 6 2.719 -14.745 8.940 1.00 0.00 C ATOM 0 HA PRO A 6 4.293 -16.911 7.025 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.250 -18.030 9.336 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.646 -16.972 9.387 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.785 -16.367 10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.248 -15.752 10.799 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.727 -14.293 8.959 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.424 -13.980 9.267 1.00 0.00 H new ATOM 96 N ASN A 7 2.612 -18.834 6.805 1.00 0.00 N ATOM 97 CA ASN A 7 1.646 -19.778 6.248 1.00 0.00 C ATOM 98 C ASN A 7 1.001 -20.577 7.371 1.00 0.00 C ATOM 99 O ASN A 7 0.792 -21.784 7.255 1.00 0.00 O ATOM 100 CB ASN A 7 2.339 -20.724 5.272 1.00 0.00 C ATOM 101 CG ASN A 7 3.344 -21.597 6.015 1.00 0.00 C ATOM 102 OD1 ASN A 7 3.683 -21.317 7.165 1.00 0.00 O ATOM 103 ND2 ASN A 7 3.844 -22.645 5.420 1.00 0.00 N ATOM 0 H ASN A 7 3.524 -19.240 7.017 1.00 0.00 H new ATOM 0 HA ASN A 7 0.876 -19.222 5.714 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.600 -21.351 4.773 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.847 -20.151 4.496 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.518 -23.235 5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.561 -22.874 4.467 1.00 0.00 H new ATOM 252 N CYS A 18 -2.093 -19.784 -0.340 1.00 0.00 N ATOM 253 CA CYS A 18 -2.117 -18.348 -0.626 1.00 0.00 C ATOM 254 C CYS A 18 -3.270 -18.007 -1.565 1.00 0.00 C ATOM 255 O CYS A 18 -3.148 -18.124 -2.786 1.00 0.00 O ATOM 256 CB CYS A 18 -0.788 -17.917 -1.259 1.00 0.00 C ATOM 257 SG CYS A 18 -0.294 -19.100 -2.537 1.00 0.00 S ATOM 0 HA CYS A 18 -2.260 -17.812 0.312 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.889 -16.922 -1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.015 -17.854 -0.493 1.00 0.00 H new ATOM 262 N MET A 19 -4.392 -17.582 -0.987 1.00 0.00 N ATOM 263 CA MET A 19 -5.576 -17.215 -1.768 1.00 0.00 C ATOM 264 C MET A 19 -6.091 -15.857 -1.312 1.00 0.00 C ATOM 265 O MET A 19 -6.308 -15.635 -0.121 1.00 0.00 O ATOM 266 CB MET A 19 -6.673 -18.271 -1.590 1.00 0.00 C ATOM 267 CG MET A 19 -7.884 -17.913 -2.460 1.00 0.00 C ATOM 268 SD MET A 19 -9.115 -19.239 -2.358 1.00 0.00 S ATOM 269 CE MET A 19 -8.678 -20.097 -3.893 1.00 0.00 C ATOM 0 H MET A 19 -4.508 -17.483 0.021 1.00 0.00 H new ATOM 0 HA MET A 19 -5.303 -17.163 -2.822 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.293 -19.254 -1.867 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.970 -18.327 -0.543 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.320 -16.971 -2.126 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.572 -17.770 -3.495 1.00 0.00 H new ATOM 0 HE1 MET A 19 -9.415 -20.874 -4.098 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.664 -19.384 -4.717 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.692 -20.550 -3.789 1.00 0.00 H new ATOM 279 N ASP A 20 -6.272 -14.945 -2.260 1.00 0.00 N ATOM 280 CA ASP A 20 -6.749 -13.607 -1.934 1.00 0.00 C ATOM 281 C ASP A 20 -8.272 -13.589 -1.838 1.00 0.00 C ATOM 282 O ASP A 20 -8.925 -14.631 -1.894 1.00 0.00 O ATOM 283 CB ASP A 20 -6.294 -12.611 -3.000 1.00 0.00 C ATOM 284 CG ASP A 20 -6.965 -12.930 -4.330 1.00 0.00 C ATOM 285 OD1 ASP A 20 -7.648 -13.936 -4.396 1.00 0.00 O ATOM 286 OD2 ASP A 20 -6.785 -12.160 -5.260 1.00 0.00 O ATOM 0 H ASP A 20 -6.097 -15.105 -3.252 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.330 -13.321 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.544 -11.596 -2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.210 -12.653 -3.110 1.00 0.00 H new ATOM 291 N LEU A 21 -8.825 -12.394 -1.672 1.00 0.00 N ATOM 292 CA LEU A 21 -10.270 -12.231 -1.547 1.00 0.00 C ATOM 293 C LEU A 21 -10.977 -12.458 -2.880 1.00 0.00 C ATOM 294 O LEU A 21 -12.191 -12.665 -2.916 1.00 0.00 O ATOM 295 CB LEU A 21 -10.582 -10.819 -1.026 1.00 0.00 C ATOM 296 CG LEU A 21 -10.323 -10.749 0.492 1.00 0.00 C ATOM 297 CD1 LEU A 21 -11.392 -11.561 1.254 1.00 0.00 C ATOM 298 CD2 LEU A 21 -8.924 -11.310 0.806 1.00 0.00 C ATOM 0 H LEU A 21 -8.296 -11.523 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.637 -12.978 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.963 -10.086 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.621 -10.565 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.376 -9.708 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.198 -11.503 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.380 -11.152 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.355 -12.602 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.744 -11.259 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.866 -12.348 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.170 -10.721 0.284 1.00 0.00 H new ATOM 310 N LYS A 22 -10.221 -12.435 -3.970 1.00 0.00 N ATOM 311 CA LYS A 22 -10.801 -12.648 -5.293 1.00 0.00 C ATOM 312 C LYS A 22 -11.373 -14.061 -5.397 1.00 0.00 C ATOM 313 O LYS A 22 -12.433 -14.269 -5.990 1.00 0.00 O ATOM 314 CB LYS A 22 -9.732 -12.454 -6.375 1.00 0.00 C ATOM 315 CG LYS A 22 -9.195 -11.014 -6.350 1.00 0.00 C ATOM 316 CD LYS A 22 -10.169 -10.063 -7.058 1.00 0.00 C ATOM 317 CE LYS A 22 -9.585 -8.650 -7.075 1.00 0.00 C ATOM 318 NZ LYS A 22 -10.540 -7.731 -7.756 1.00 0.00 N ATOM 0 H LYS A 22 -9.214 -12.273 -3.967 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.601 -11.923 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.914 -13.156 -6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.155 -12.674 -7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.049 -10.692 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.221 -10.975 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.351 -10.405 -8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.131 -10.064 -6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.398 -8.309 -6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.626 -8.646 -7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.146 -6.769 -7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.697 -8.054 -8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.444 -7.728 -7.243 1.00 0.00 H new ATOM 332 N GLY A 23 -10.655 -15.029 -4.830 1.00 0.00 N ATOM 333 CA GLY A 23 -11.078 -16.431 -4.872 1.00 0.00 C ATOM 334 C GLY A 23 -10.232 -17.195 -5.883 1.00 0.00 C ATOM 335 O GLY A 23 -10.488 -18.362 -6.181 1.00 0.00 O ATOM 0 H GLY A 23 -9.777 -14.870 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.976 -16.881 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.132 -16.495 -5.144 1.00 0.00 H new ATOM 339 N ASN A 24 -9.220 -16.508 -6.403 1.00 0.00 N ATOM 340 CA ASN A 24 -8.312 -17.089 -7.391 1.00 0.00 C ATOM 341 C ASN A 24 -7.026 -17.580 -6.732 1.00 0.00 C ATOM 342 O ASN A 24 -6.516 -16.965 -5.795 1.00 0.00 O ATOM 343 CB ASN A 24 -7.976 -16.044 -8.456 1.00 0.00 C ATOM 344 CG ASN A 24 -7.557 -14.737 -7.791 1.00 0.00 C ATOM 345 OD1 ASN A 24 -7.696 -13.666 -8.383 1.00 0.00 O ATOM 346 ND2 ASN A 24 -7.057 -14.759 -6.587 1.00 0.00 N ATOM 0 H ASN A 24 -9.006 -15.542 -6.156 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.808 -17.942 -7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.173 -16.410 -9.096 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.841 -15.874 -9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.780 -13.888 -6.134 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.943 -15.647 -6.098 1.00 0.00 H new ATOM 353 N LYS A 25 -6.505 -18.694 -7.237 1.00 0.00 N ATOM 354 CA LYS A 25 -5.275 -19.271 -6.708 1.00 0.00 C ATOM 355 C LYS A 25 -4.061 -18.553 -7.286 1.00 0.00 C ATOM 356 O LYS A 25 -4.079 -18.124 -8.438 1.00 0.00 O ATOM 357 CB LYS A 25 -5.204 -20.760 -7.060 1.00 0.00 C ATOM 358 CG LYS A 25 -4.244 -21.475 -6.098 1.00 0.00 C ATOM 359 CD LYS A 25 -4.230 -22.982 -6.393 1.00 0.00 C ATOM 360 CE LYS A 25 -5.469 -23.653 -5.789 1.00 0.00 C ATOM 361 NZ LYS A 25 -5.335 -25.128 -5.903 1.00 0.00 N ATOM 0 H LYS A 25 -6.916 -19.215 -8.012 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.274 -19.154 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.197 -21.206 -6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.864 -20.885 -8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.239 -21.066 -6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.552 -21.301 -5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.206 -23.149 -7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.327 -23.432 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.578 -23.366 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.367 -23.317 -6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.175 -25.586 -5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.250 -25.392 -6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.486 -25.440 -5.390 1.00 0.00 H new ATOM 375 N HIS A 26 -3.007 -18.423 -6.481 1.00 0.00 N ATOM 376 CA HIS A 26 -1.780 -17.751 -6.922 1.00 0.00 C ATOM 377 C HIS A 26 -0.573 -18.687 -6.789 1.00 0.00 C ATOM 378 O HIS A 26 0.048 -18.751 -5.729 1.00 0.00 O ATOM 379 CB HIS A 26 -1.550 -16.499 -6.074 1.00 0.00 C ATOM 380 CG HIS A 26 -2.787 -15.640 -6.092 1.00 0.00 C ATOM 381 ND1 HIS A 26 -3.263 -15.049 -7.253 1.00 0.00 N ATOM 382 CD2 HIS A 26 -3.657 -15.265 -5.098 1.00 0.00 C ATOM 383 CE1 HIS A 26 -4.370 -14.356 -6.931 1.00 0.00 C ATOM 384 NE2 HIS A 26 -4.656 -14.454 -5.630 1.00 0.00 N ATOM 0 H HIS A 26 -2.975 -18.772 -5.523 1.00 0.00 H new ATOM 0 HA HIS A 26 -1.893 -17.473 -7.970 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -1.306 -16.781 -5.050 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.700 -15.937 -6.461 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -2.849 -15.126 -8.182 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.578 -15.555 -4.061 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.957 -13.789 -7.639 1.00 0.00 H new ATOM 393 N PRO A 27 -0.216 -19.403 -7.836 1.00 0.00 N ATOM 394 CA PRO A 27 0.955 -20.336 -7.804 1.00 0.00 C ATOM 395 C PRO A 27 2.224 -19.627 -7.337 1.00 0.00 C ATOM 396 O PRO A 27 2.253 -18.401 -7.237 1.00 0.00 O ATOM 397 CB PRO A 27 1.082 -20.812 -9.260 1.00 0.00 C ATOM 398 CG PRO A 27 -0.293 -20.658 -9.826 1.00 0.00 C ATOM 399 CD PRO A 27 -0.875 -19.416 -9.156 1.00 0.00 C ATOM 0 HA PRO A 27 0.816 -21.159 -7.103 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.807 -20.214 -9.811 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.418 -21.848 -9.311 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.260 -20.540 -10.909 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.903 -21.537 -9.619 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.656 -18.512 -9.724 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.959 -19.479 -9.064 1.00 0.00 H new ATOM 407 N ILE A 28 3.275 -20.393 -7.063 1.00 0.00 N ATOM 408 CA ILE A 28 4.526 -19.795 -6.620 1.00 0.00 C ATOM 409 C ILE A 28 5.047 -18.854 -7.698 1.00 0.00 C ATOM 410 O ILE A 28 4.905 -19.131 -8.887 1.00 0.00 O ATOM 411 CB ILE A 28 5.577 -20.877 -6.340 1.00 0.00 C ATOM 412 CG1 ILE A 28 4.991 -21.965 -5.426 1.00 0.00 C ATOM 413 CG2 ILE A 28 6.808 -20.246 -5.687 1.00 0.00 C ATOM 414 CD1 ILE A 28 4.486 -21.365 -4.105 1.00 0.00 C ATOM 0 H ILE A 28 3.286 -21.410 -7.138 1.00 0.00 H new ATOM 0 HA ILE A 28 4.340 -19.242 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 28 5.871 -21.338 -7.283 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.171 -22.470 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.751 -22.719 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.552 -21.018 -5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.231 -19.497 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.520 -19.772 -4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.077 -22.157 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.313 -20.882 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.709 -20.629 -4.313 1.00 0.00 H new ATOM 426 N ASN A 29 5.643 -17.750 -7.262 1.00 0.00 N ATOM 427 CA ASN A 29 6.197 -16.748 -8.172 1.00 0.00 C ATOM 428 C ASN A 29 5.093 -15.971 -8.885 1.00 0.00 C ATOM 429 O ASN A 29 5.370 -15.170 -9.778 1.00 0.00 O ATOM 430 CB ASN A 29 7.111 -17.406 -9.213 1.00 0.00 C ATOM 431 CG ASN A 29 8.072 -18.367 -8.524 1.00 0.00 C ATOM 432 OD1 ASN A 29 8.714 -18.003 -7.538 1.00 0.00 O ATOM 433 ND2 ASN A 29 8.207 -19.580 -8.985 1.00 0.00 N ATOM 0 H ASN A 29 5.757 -17.523 -6.274 1.00 0.00 H new ATOM 0 HA ASN A 29 6.779 -16.051 -7.569 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.512 -17.942 -9.949 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.671 -16.642 -9.753 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.846 -20.231 -8.529 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.673 -19.877 -9.802 1.00 0.00 H new ATOM 440 N SER A 30 3.844 -16.182 -8.473 1.00 0.00 N ATOM 441 CA SER A 30 2.716 -15.465 -9.073 1.00 0.00 C ATOM 442 C SER A 30 2.253 -14.361 -8.136 1.00 0.00 C ATOM 443 O SER A 30 1.932 -14.614 -6.976 1.00 0.00 O ATOM 444 CB SER A 30 1.555 -16.422 -9.340 1.00 0.00 C ATOM 445 OG SER A 30 0.616 -15.787 -10.200 1.00 0.00 O ATOM 0 H SER A 30 3.587 -16.836 -7.734 1.00 0.00 H new ATOM 0 HA SER A 30 3.043 -15.032 -10.018 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.923 -17.341 -9.798 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.076 -16.703 -8.402 1.00 0.00 H new ATOM 0 HG SER A 30 -0.131 -16.397 -10.376 1.00 0.00 H new ATOM 451 N GLU A 31 2.214 -13.133 -8.644 1.00 0.00 N ATOM 452 CA GLU A 31 1.785 -11.987 -7.843 1.00 0.00 C ATOM 453 C GLU A 31 0.360 -11.601 -8.218 1.00 0.00 C ATOM 454 O GLU A 31 -0.068 -11.805 -9.354 1.00 0.00 O ATOM 455 CB GLU A 31 2.718 -10.798 -8.093 1.00 0.00 C ATOM 456 CG GLU A 31 4.119 -11.129 -7.571 1.00 0.00 C ATOM 457 CD GLU A 31 5.074 -9.973 -7.855 1.00 0.00 C ATOM 458 OE1 GLU A 31 4.994 -9.415 -8.937 1.00 0.00 O ATOM 459 OE2 GLU A 31 5.873 -9.664 -6.986 1.00 0.00 O ATOM 0 H GLU A 31 2.473 -12.904 -9.604 1.00 0.00 H new ATOM 0 HA GLU A 31 1.822 -12.258 -6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.759 -10.572 -9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.333 -9.909 -7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.079 -11.322 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.486 -12.039 -8.046 1.00 0.00 H new ATOM 466 N TRP A 32 -0.375 -11.043 -7.261 1.00 0.00 N ATOM 467 CA TRP A 32 -1.756 -10.633 -7.509 1.00 0.00 C ATOM 468 C TRP A 32 -2.085 -9.363 -6.731 1.00 0.00 C ATOM 469 O TRP A 32 -1.709 -9.221 -5.568 1.00 0.00 O ATOM 470 CB TRP A 32 -2.707 -11.757 -7.091 1.00 0.00 C ATOM 471 CG TRP A 32 -2.567 -12.009 -5.621 1.00 0.00 C ATOM 472 CD1 TRP A 32 -3.378 -11.501 -4.669 1.00 0.00 C ATOM 473 CD2 TRP A 32 -1.576 -12.822 -4.925 1.00 0.00 C ATOM 474 NE1 TRP A 32 -2.950 -11.945 -3.431 1.00 0.00 N ATOM 475 CE2 TRP A 32 -1.842 -12.766 -3.535 1.00 0.00 C ATOM 476 CE3 TRP A 32 -0.484 -13.593 -5.359 1.00 0.00 C ATOM 477 CZ2 TRP A 32 -1.051 -13.455 -2.609 1.00 0.00 C ATOM 478 CZ3 TRP A 32 0.315 -14.286 -4.432 1.00 0.00 C ATOM 479 CH2 TRP A 32 0.030 -14.217 -3.060 1.00 0.00 C ATOM 0 H TRP A 32 -0.042 -10.865 -6.313 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.876 -10.430 -8.573 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.735 -11.484 -7.328 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.481 -12.665 -7.650 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.224 -10.853 -4.845 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.397 -11.697 -2.548 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.257 -13.654 -6.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.274 -13.398 -1.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.152 -14.874 -4.778 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.646 -14.753 -2.353 1.00 0.00 H new ATOM 490 N GLN A 33 -2.794 -8.446 -7.385 1.00 0.00 N ATOM 491 CA GLN A 33 -3.181 -7.188 -6.753 1.00 0.00 C ATOM 492 C GLN A 33 -4.404 -7.392 -5.867 1.00 0.00 C ATOM 493 O GLN A 33 -5.366 -8.046 -6.267 1.00 0.00 O ATOM 494 CB GLN A 33 -3.496 -6.139 -7.824 1.00 0.00 C ATOM 495 CG GLN A 33 -2.215 -5.768 -8.572 1.00 0.00 C ATOM 496 CD GLN A 33 -2.533 -4.765 -9.675 1.00 0.00 C ATOM 497 OE1 GLN A 33 -3.673 -4.319 -9.800 1.00 0.00 O ATOM 498 NE2 GLN A 33 -1.586 -4.379 -10.486 1.00 0.00 N ATOM 0 H GLN A 33 -3.111 -8.550 -8.349 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.351 -6.841 -6.138 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.237 -6.529 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.929 -5.252 -7.362 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.489 -5.343 -7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.761 -6.662 -9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.642 -4.750 -10.381 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.790 -3.706 -11.225 1.00 0.00 H new ATOM 507 N THR A 34 -4.354 -6.840 -4.655 1.00 0.00 N ATOM 508 CA THR A 34 -5.459 -6.977 -3.704 1.00 0.00 C ATOM 509 C THR A 34 -6.331 -5.724 -3.695 1.00 0.00 C ATOM 510 O THR A 34 -5.923 -4.666 -4.173 1.00 0.00 O ATOM 511 CB THR A 34 -4.900 -7.208 -2.300 1.00 0.00 C ATOM 512 OG1 THR A 34 -4.509 -5.962 -1.743 1.00 0.00 O ATOM 513 CG2 THR A 34 -3.684 -8.133 -2.384 1.00 0.00 C ATOM 0 H THR A 34 -3.564 -6.296 -4.309 1.00 0.00 H new ATOM 0 HA THR A 34 -6.070 -7.826 -4.010 1.00 0.00 H new ATOM 0 HB THR A 34 -5.663 -7.667 -1.671 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.827 -5.549 -2.312 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.284 -8.299 -1.384 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.982 -9.087 -2.819 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.919 -7.672 -3.009 1.00 0.00 H new ATOM 521 N ASP A 35 -7.531 -5.855 -3.135 1.00 0.00 N ATOM 522 CA ASP A 35 -8.460 -4.733 -3.057 1.00 0.00 C ATOM 523 C ASP A 35 -8.051 -3.780 -1.944 1.00 0.00 C ATOM 524 O ASP A 35 -8.744 -3.654 -0.936 1.00 0.00 O ATOM 525 CB ASP A 35 -9.868 -5.249 -2.784 1.00 0.00 C ATOM 526 CG ASP A 35 -10.866 -4.099 -2.836 1.00 0.00 C ATOM 527 OD1 ASP A 35 -10.427 -2.965 -2.949 1.00 0.00 O ATOM 528 OD2 ASP A 35 -12.054 -4.367 -2.768 1.00 0.00 O ATOM 0 H ASP A 35 -7.881 -6.723 -2.730 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.440 -4.200 -4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.135 -6.006 -3.521 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.905 -5.729 -1.806 1.00 0.00 H new ATOM 533 N ASN A 36 -6.936 -3.100 -2.158 1.00 0.00 N ATOM 534 CA ASN A 36 -6.418 -2.133 -1.192 1.00 0.00 C ATOM 535 C ASN A 36 -5.130 -1.510 -1.723 1.00 0.00 C ATOM 536 O ASN A 36 -4.258 -1.102 -0.955 1.00 0.00 O ATOM 537 CB ASN A 36 -6.133 -2.827 0.146 1.00 0.00 C ATOM 538 CG ASN A 36 -5.702 -1.805 1.189 1.00 0.00 C ATOM 539 OD1 ASN A 36 -4.511 -1.647 1.448 1.00 0.00 O ATOM 540 ND2 ASN A 36 -6.609 -1.098 1.809 1.00 0.00 N ATOM 0 H ASN A 36 -6.365 -3.198 -2.998 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.164 -1.353 -1.041 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.025 -3.352 0.488 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.352 -3.576 0.016 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.330 -0.412 2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.597 -1.232 1.592 1.00 0.00 H new ATOM 547 N CYS A 37 -5.016 -1.461 -3.046 1.00 0.00 N ATOM 548 CA CYS A 37 -3.831 -0.911 -3.684 1.00 0.00 C ATOM 549 C CYS A 37 -2.568 -1.540 -3.103 1.00 0.00 C ATOM 550 O CYS A 37 -1.577 -0.856 -2.852 1.00 0.00 O ATOM 551 CB CYS A 37 -3.797 0.611 -3.522 1.00 0.00 C ATOM 552 SG CYS A 37 -2.823 1.319 -4.872 1.00 0.00 S ATOM 0 H CYS A 37 -5.729 -1.795 -3.694 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.871 -1.145 -4.748 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.809 1.015 -3.535 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.359 0.879 -2.560 1.00 0.00 H new ATOM 557 N GLU A 38 -2.613 -2.860 -2.908 1.00 0.00 N ATOM 558 CA GLU A 38 -1.473 -3.612 -2.379 1.00 0.00 C ATOM 559 C GLU A 38 -1.302 -4.883 -3.203 1.00 0.00 C ATOM 560 O GLU A 38 -2.263 -5.375 -3.793 1.00 0.00 O ATOM 561 CB GLU A 38 -1.711 -3.970 -0.906 1.00 0.00 C ATOM 562 CG GLU A 38 -0.487 -4.694 -0.345 1.00 0.00 C ATOM 563 CD GLU A 38 -0.701 -5.029 1.125 1.00 0.00 C ATOM 564 OE1 GLU A 38 -1.602 -4.460 1.717 1.00 0.00 O ATOM 565 OE2 GLU A 38 0.038 -5.854 1.638 1.00 0.00 O ATOM 0 H GLU A 38 -3.432 -3.433 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.571 -3.004 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.906 -3.066 -0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.593 -4.603 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.305 -5.608 -0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.398 -4.068 -0.458 1.00 0.00 H new ATOM 572 N THR A 39 -0.082 -5.418 -3.245 1.00 0.00 N ATOM 573 CA THR A 39 0.184 -6.642 -4.015 1.00 0.00 C ATOM 574 C THR A 39 1.021 -7.625 -3.206 1.00 0.00 C ATOM 575 O THR A 39 2.059 -7.262 -2.652 1.00 0.00 O ATOM 576 CB THR A 39 0.913 -6.283 -5.311 1.00 0.00 C ATOM 577 OG1 THR A 39 0.077 -5.450 -6.102 1.00 0.00 O ATOM 578 CG2 THR A 39 1.250 -7.556 -6.088 1.00 0.00 C ATOM 0 H THR A 39 0.730 -5.033 -2.763 1.00 0.00 H new ATOM 0 HA THR A 39 -0.768 -7.118 -4.249 1.00 0.00 H new ATOM 0 HB THR A 39 1.837 -5.757 -5.073 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.469 -5.346 -6.994 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.769 -7.293 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.891 -8.194 -5.480 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.330 -8.089 -6.329 1.00 0.00 H new ATOM 586 N CYS A 40 0.555 -8.874 -3.137 1.00 0.00 N ATOM 587 CA CYS A 40 1.255 -9.920 -2.383 1.00 0.00 C ATOM 588 C CYS A 40 1.821 -10.999 -3.305 1.00 0.00 C ATOM 589 O CYS A 40 1.360 -11.190 -4.429 1.00 0.00 O ATOM 590 CB CYS A 40 0.302 -10.550 -1.364 1.00 0.00 C ATOM 591 SG CYS A 40 -0.383 -9.285 -0.249 1.00 0.00 S ATOM 0 H CYS A 40 -0.302 -9.187 -3.593 1.00 0.00 H new ATOM 0 HA CYS A 40 2.093 -9.455 -1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.509 -11.059 -1.885 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.832 -11.305 -0.783 1.00 0.00 H new ATOM 596 N THR A 41 2.845 -11.691 -2.801 1.00 0.00 N ATOM 597 CA THR A 41 3.524 -12.760 -3.546 1.00 0.00 C ATOM 598 C THR A 41 3.471 -14.077 -2.768 1.00 0.00 C ATOM 599 O THR A 41 3.751 -14.109 -1.570 1.00 0.00 O ATOM 600 CB THR A 41 4.988 -12.375 -3.777 1.00 0.00 C ATOM 601 OG1 THR A 41 5.050 -11.104 -4.407 1.00 0.00 O ATOM 602 CG2 THR A 41 5.658 -13.421 -4.669 1.00 0.00 C ATOM 0 H THR A 41 3.228 -11.529 -1.869 1.00 0.00 H new ATOM 0 HA THR A 41 3.016 -12.891 -4.502 1.00 0.00 H new ATOM 0 HB THR A 41 5.506 -12.331 -2.819 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.987 -10.857 -4.553 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.700 -13.146 -4.833 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.612 -14.396 -4.184 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.140 -13.468 -5.627 1.00 0.00 H new ATOM 610 N CYS A 42 3.108 -15.161 -3.456 1.00 0.00 N ATOM 611 CA CYS A 42 3.016 -16.478 -2.819 1.00 0.00 C ATOM 612 C CYS A 42 4.349 -17.215 -2.879 1.00 0.00 C ATOM 613 O CYS A 42 4.959 -17.337 -3.942 1.00 0.00 O ATOM 614 CB CYS A 42 1.944 -17.327 -3.524 1.00 0.00 C ATOM 615 SG CYS A 42 1.713 -18.886 -2.634 1.00 0.00 S ATOM 0 H CYS A 42 2.874 -15.155 -4.449 1.00 0.00 H new ATOM 0 HA CYS A 42 2.746 -16.325 -1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.003 -16.779 -3.566 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.243 -17.526 -4.553 1.00 0.00 H new ATOM 620 N TYR A 43 4.777 -17.745 -1.735 1.00 0.00 N ATOM 621 CA TYR A 43 6.023 -18.524 -1.650 1.00 0.00 C ATOM 622 C TYR A 43 5.702 -19.913 -1.114 1.00 0.00 C ATOM 623 O TYR A 43 4.540 -20.237 -0.873 1.00 0.00 O ATOM 624 CB TYR A 43 7.068 -17.849 -0.751 1.00 0.00 C ATOM 625 CG TYR A 43 7.727 -16.708 -1.483 1.00 0.00 C ATOM 626 CD1 TYR A 43 8.803 -16.960 -2.342 1.00 0.00 C ATOM 627 CD2 TYR A 43 7.266 -15.399 -1.301 1.00 0.00 C ATOM 628 CE1 TYR A 43 9.417 -15.902 -3.021 1.00 0.00 C ATOM 629 CE2 TYR A 43 7.880 -14.343 -1.982 1.00 0.00 C ATOM 630 CZ TYR A 43 8.957 -14.594 -2.840 1.00 0.00 C ATOM 631 OH TYR A 43 9.561 -13.550 -3.512 1.00 0.00 O ATOM 0 H TYR A 43 4.282 -17.652 -0.848 1.00 0.00 H new ATOM 0 HA TYR A 43 6.451 -18.589 -2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.593 -17.481 0.158 1.00 0.00 H new ATOM 0 HB3 TYR A 43 7.820 -18.577 -0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.159 -17.970 -2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.438 -15.205 -0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.246 -16.096 -3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.523 -13.333 -1.846 1.00 0.00 H new ATOM 0 HH TYR A 43 9.119 -12.708 -3.274 1.00 0.00 H new ATOM 641 N GLU A 44 6.721 -20.741 -0.976 1.00 0.00 N ATOM 642 CA GLU A 44 6.526 -22.110 -0.516 1.00 0.00 C ATOM 643 C GLU A 44 5.811 -22.181 0.826 1.00 0.00 C ATOM 644 O GLU A 44 4.809 -22.887 0.965 1.00 0.00 O ATOM 645 CB GLU A 44 7.883 -22.798 -0.379 1.00 0.00 C ATOM 646 CG GLU A 44 8.564 -22.874 -1.746 1.00 0.00 C ATOM 647 CD GLU A 44 9.113 -21.504 -2.134 1.00 0.00 C ATOM 648 OE1 GLU A 44 9.115 -20.626 -1.286 1.00 0.00 O ATOM 649 OE2 GLU A 44 9.532 -21.355 -3.268 1.00 0.00 O ATOM 0 H GLU A 44 7.691 -20.494 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 44 5.902 -22.610 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.512 -22.247 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.754 -23.800 0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.373 -23.604 -1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.852 -23.215 -2.497 1.00 0.00 H new ATOM 656 N THR A 45 6.336 -21.475 1.826 1.00 0.00 N ATOM 657 CA THR A 45 5.747 -21.501 3.168 1.00 0.00 C ATOM 658 C THR A 45 5.616 -20.099 3.761 1.00 0.00 C ATOM 659 O THR A 45 5.738 -19.918 4.971 1.00 0.00 O ATOM 660 CB THR A 45 6.623 -22.369 4.076 1.00 0.00 C ATOM 661 OG1 THR A 45 7.943 -21.841 4.103 1.00 0.00 O ATOM 662 CG2 THR A 45 6.661 -23.801 3.535 1.00 0.00 C ATOM 0 H THR A 45 7.161 -20.882 1.736 1.00 0.00 H new ATOM 0 HA THR A 45 4.743 -21.918 3.094 1.00 0.00 H new ATOM 0 HB THR A 45 6.209 -22.372 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.505 -22.394 4.685 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.285 -24.418 4.182 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.650 -24.208 3.511 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.075 -23.798 2.527 1.00 0.00 H new ATOM 670 N GLU A 46 5.356 -19.113 2.907 1.00 0.00 N ATOM 671 CA GLU A 46 5.194 -17.736 3.371 1.00 0.00 C ATOM 672 C GLU A 46 4.642 -16.849 2.259 1.00 0.00 C ATOM 673 O GLU A 46 4.611 -17.240 1.099 1.00 0.00 O ATOM 674 CB GLU A 46 6.532 -17.156 3.853 1.00 0.00 C ATOM 675 CG GLU A 46 7.510 -17.047 2.679 1.00 0.00 C ATOM 676 CD GLU A 46 8.897 -16.676 3.188 1.00 0.00 C ATOM 677 OE1 GLU A 46 8.975 -15.969 4.177 1.00 0.00 O ATOM 678 OE2 GLU A 46 9.863 -17.105 2.577 1.00 0.00 O ATOM 0 H GLU A 46 5.254 -19.238 1.900 1.00 0.00 H new ATOM 0 HA GLU A 46 4.490 -17.755 4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.373 -16.173 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.954 -17.792 4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.552 -17.994 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.160 -16.295 1.972 1.00 0.00 H new ATOM 685 N ILE A 47 4.209 -15.650 2.629 1.00 0.00 N ATOM 686 CA ILE A 47 3.675 -14.684 1.663 1.00 0.00 C ATOM 687 C ILE A 47 4.303 -13.325 1.915 1.00 0.00 C ATOM 688 O ILE A 47 4.331 -12.836 3.045 1.00 0.00 O ATOM 689 CB ILE A 47 2.139 -14.595 1.768 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.497 -15.927 1.285 1.00 0.00 C ATOM 691 CG2 ILE A 47 1.622 -13.428 0.905 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.319 -16.304 2.186 1.00 0.00 C ATOM 0 H ILE A 47 4.215 -15.318 3.593 1.00 0.00 H new ATOM 0 HA ILE A 47 3.922 -15.016 0.655 1.00 0.00 H new ATOM 0 HB ILE A 47 1.864 -14.421 2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.157 -15.823 0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.242 -16.723 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.536 -13.371 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.061 -12.494 1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.902 -13.593 -0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.122 -17.238 1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.670 -16.429 3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.432 -15.514 2.153 1.00 0.00 H new ATOM 704 N SER A 48 4.776 -12.706 0.843 1.00 0.00 N ATOM 705 CA SER A 48 5.375 -11.378 0.928 1.00 0.00 C ATOM 706 C SER A 48 4.387 -10.370 0.368 1.00 0.00 C ATOM 707 O SER A 48 3.487 -10.732 -0.386 1.00 0.00 O ATOM 708 CB SER A 48 6.679 -11.328 0.133 1.00 0.00 C ATOM 709 OG SER A 48 7.541 -12.367 0.579 1.00 0.00 O ATOM 0 H SER A 48 4.757 -13.101 -0.097 1.00 0.00 H new ATOM 0 HA SER A 48 5.603 -11.144 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.474 -11.442 -0.931 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.161 -10.359 0.263 1.00 0.00 H new ATOM 0 HG SER A 48 7.966 -12.101 1.421 1.00 0.00 H new ATOM 715 N CYS A 49 4.541 -9.111 0.748 1.00 0.00 N ATOM 716 CA CYS A 49 3.629 -8.086 0.271 1.00 0.00 C ATOM 717 C CYS A 49 4.157 -6.691 0.566 1.00 0.00 C ATOM 718 O CYS A 49 4.835 -6.466 1.566 1.00 0.00 O ATOM 719 CB CYS A 49 2.245 -8.273 0.920 1.00 0.00 C ATOM 720 SG CYS A 49 0.956 -7.770 -0.246 1.00 0.00 S ATOM 0 H CYS A 49 5.275 -8.779 1.374 1.00 0.00 H new ATOM 0 HA CYS A 49 3.541 -8.190 -0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.104 -9.315 1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.176 -7.680 1.832 1.00 0.00 H new ATOM 725 N CYS A 50 3.812 -5.757 -0.310 1.00 0.00 N ATOM 726 CA CYS A 50 4.222 -4.367 -0.154 1.00 0.00 C ATOM 727 C CYS A 50 3.152 -3.457 -0.724 1.00 0.00 C ATOM 728 O CYS A 50 2.491 -3.791 -1.709 1.00 0.00 O ATOM 729 CB CYS A 50 5.565 -4.120 -0.853 1.00 0.00 C ATOM 730 SG CYS A 50 6.437 -2.773 -0.011 1.00 0.00 S ATOM 0 H CYS A 50 3.247 -5.937 -1.140 1.00 0.00 H new ATOM 0 HA CYS A 50 4.348 -4.150 0.907 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.169 -5.027 -0.836 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.402 -3.865 -1.900 1.00 0.00 H new ATOM 735 N THR A 51 2.980 -2.318 -0.085 1.00 0.00 N ATOM 736 CA THR A 51 1.975 -1.356 -0.509 1.00 0.00 C ATOM 737 C THR A 51 2.470 -0.519 -1.681 1.00 0.00 C ATOM 738 O THR A 51 3.669 -0.286 -1.840 1.00 0.00 O ATOM 739 CB THR A 51 1.600 -0.466 0.664 1.00 0.00 C ATOM 740 OG1 THR A 51 0.622 0.475 0.248 1.00 0.00 O ATOM 741 CG2 THR A 51 2.844 0.263 1.178 1.00 0.00 C ATOM 0 H THR A 51 3.522 -2.033 0.731 1.00 0.00 H new ATOM 0 HA THR A 51 1.093 -1.900 -0.846 1.00 0.00 H new ATOM 0 HB THR A 51 1.191 -1.077 1.469 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.378 1.049 1.004 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.571 0.900 2.019 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.586 -0.467 1.502 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.263 0.876 0.380 1.00 0.00 H new ATOM 749 N LEU A 52 1.521 -0.070 -2.497 1.00 0.00 N ATOM 750 CA LEU A 52 1.823 0.733 -3.674 1.00 0.00 C ATOM 751 C LEU A 52 1.862 2.228 -3.329 1.00 0.00 C ATOM 752 O LEU A 52 2.544 3.009 -3.993 1.00 0.00 O ATOM 753 CB LEU A 52 0.737 0.477 -4.734 1.00 0.00 C ATOM 754 CG LEU A 52 0.558 -1.040 -4.955 1.00 0.00 C ATOM 755 CD1 LEU A 52 -0.626 -1.307 -5.897 1.00 0.00 C ATOM 756 CD2 LEU A 52 1.828 -1.623 -5.578 1.00 0.00 C ATOM 0 H LEU A 52 0.527 -0.252 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 52 2.804 0.450 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.206 0.919 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.013 0.959 -5.672 1.00 0.00 H new ATOM 0 HG LEU A 52 0.365 -1.511 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.740 -2.381 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.538 -0.902 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.441 -0.828 -6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.699 -2.694 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.019 -1.138 -6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.672 -1.452 -4.910 1.00 0.00 H new ATOM 768 N VAL A 53 1.113 2.618 -2.301 1.00 0.00 N ATOM 769 CA VAL A 53 1.043 4.023 -1.890 1.00 0.00 C ATOM 770 C VAL A 53 2.285 4.458 -1.106 1.00 0.00 C ATOM 771 O VAL A 53 2.855 3.686 -0.332 1.00 0.00 O ATOM 772 CB VAL A 53 -0.215 4.246 -1.040 1.00 0.00 C ATOM 773 CG1 VAL A 53 -0.549 5.748 -0.970 1.00 0.00 C ATOM 774 CG2 VAL A 53 -1.389 3.469 -1.661 1.00 0.00 C ATOM 0 H VAL A 53 0.546 1.985 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 53 0.998 4.632 -2.793 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.037 3.885 -0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.443 5.894 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.286 6.286 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.726 6.129 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.286 3.624 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.565 3.826 -2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.149 2.406 -1.687 1.00 0.00 H new ATOM 784 N SER A 54 2.691 5.717 -1.312 1.00 0.00 N ATOM 785 CA SER A 54 3.854 6.283 -0.628 1.00 0.00 C ATOM 786 C SER A 54 3.401 7.151 0.543 1.00 0.00 C ATOM 787 O SER A 54 2.259 7.605 0.583 1.00 0.00 O ATOM 788 CB SER A 54 4.667 7.124 -1.607 1.00 0.00 C ATOM 789 OG SER A 54 4.791 6.425 -2.837 1.00 0.00 O ATOM 0 H SER A 54 2.227 6.363 -1.950 1.00 0.00 H new ATOM 0 HA SER A 54 4.473 5.470 -0.249 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.180 8.086 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.654 7.332 -1.193 1.00 0.00 H new ATOM 0 HG SER A 54 5.312 6.964 -3.469 1.00 0.00 H new ATOM 795 N THR A 55 4.304 7.369 1.503 1.00 0.00 N ATOM 796 CA THR A 55 3.981 8.178 2.684 1.00 0.00 C ATOM 797 C THR A 55 4.780 9.492 2.698 1.00 0.00 C ATOM 798 O THR A 55 6.009 9.463 2.667 1.00 0.00 O ATOM 799 CB THR A 55 4.294 7.410 3.960 1.00 0.00 C ATOM 800 OG1 THR A 55 3.478 6.249 4.020 1.00 0.00 O ATOM 801 CG2 THR A 55 4.011 8.302 5.174 1.00 0.00 C ATOM 0 H THR A 55 5.255 7.001 1.488 1.00 0.00 H new ATOM 0 HA THR A 55 2.916 8.405 2.636 1.00 0.00 H new ATOM 0 HB THR A 55 5.344 7.117 3.965 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.678 5.751 4.840 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.235 7.753 6.089 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.636 9.194 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.961 8.594 5.174 1.00 0.00 H new ATOM 809 N PRO A 56 4.136 10.642 2.782 1.00 0.00 N ATOM 810 CA PRO A 56 4.853 11.950 2.846 1.00 0.00 C ATOM 811 C PRO A 56 5.734 12.037 4.094 1.00 0.00 C ATOM 812 O PRO A 56 5.361 11.549 5.161 1.00 0.00 O ATOM 813 CB PRO A 56 3.712 12.989 2.911 1.00 0.00 C ATOM 814 CG PRO A 56 2.525 12.280 2.369 1.00 0.00 C ATOM 815 CD PRO A 56 2.681 10.844 2.815 1.00 0.00 C ATOM 0 HA PRO A 56 5.522 12.102 1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.540 13.325 3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.948 13.874 2.320 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.600 12.712 2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.486 12.352 1.282 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.274 10.686 3.814 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.163 10.156 2.147 1.00 0.00 H new ATOM 823 N VAL A 57 6.895 12.658 3.954 1.00 0.00 N ATOM 824 CA VAL A 57 7.811 12.802 5.078 1.00 0.00 C ATOM 825 C VAL A 57 8.788 13.945 4.827 1.00 0.00 C ATOM 826 O VAL A 57 9.229 14.161 3.698 1.00 0.00 O ATOM 827 CB VAL A 57 8.566 11.491 5.282 1.00 0.00 C ATOM 828 CG1 VAL A 57 9.261 11.101 3.977 1.00 0.00 C ATOM 829 CG2 VAL A 57 9.614 11.659 6.392 1.00 0.00 C ATOM 0 H VAL A 57 7.225 13.068 3.080 1.00 0.00 H new ATOM 0 HA VAL A 57 7.242 13.035 5.978 1.00 0.00 H new ATOM 0 HB VAL A 57 7.863 10.710 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.802 10.165 4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.516 10.975 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.962 11.885 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.149 10.720 6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.320 12.440 6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.118 11.936 7.322 1.00 0.00 H new ATOM 839 N GLY A 58 9.121 14.674 5.882 1.00 0.00 N ATOM 840 CA GLY A 58 10.045 15.794 5.761 1.00 0.00 C ATOM 841 C GLY A 58 9.318 17.042 5.284 1.00 0.00 C ATOM 842 O GLY A 58 9.857 17.828 4.503 1.00 0.00 O ATOM 0 H GLY A 58 8.769 14.513 6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.517 15.988 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.841 15.541 5.061 1.00 0.00 H new ATOM 846 N TYR A 59 8.086 17.222 5.756 1.00 0.00 N ATOM 847 CA TYR A 59 7.284 18.384 5.369 1.00 0.00 C ATOM 848 C TYR A 59 6.572 18.958 6.586 1.00 0.00 C ATOM 849 O TYR A 59 6.415 18.282 7.605 1.00 0.00 O ATOM 850 CB TYR A 59 6.256 17.987 4.303 1.00 0.00 C ATOM 851 CG TYR A 59 5.187 17.099 4.903 1.00 0.00 C ATOM 852 CD1 TYR A 59 5.461 15.755 5.175 1.00 0.00 C ATOM 853 CD2 TYR A 59 3.917 17.625 5.178 1.00 0.00 C ATOM 854 CE1 TYR A 59 4.464 14.936 5.722 1.00 0.00 C ATOM 855 CE2 TYR A 59 2.920 16.808 5.725 1.00 0.00 C ATOM 856 CZ TYR A 59 3.195 15.463 5.998 1.00 0.00 C ATOM 857 OH TYR A 59 2.217 14.655 6.540 1.00 0.00 O ATOM 0 H TYR A 59 7.623 16.584 6.403 1.00 0.00 H new ATOM 0 HA TYR A 59 7.947 19.143 4.955 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.799 18.881 3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.754 17.466 3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.439 15.349 4.964 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.707 18.663 4.967 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.674 13.897 5.931 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.942 17.214 5.936 1.00 0.00 H new ATOM 0 HH TYR A 59 1.397 15.176 6.670 1.00 0.00 H new ATOM 867 N ASP A 60 6.151 20.210 6.478 1.00 0.00 N ATOM 868 CA ASP A 60 5.462 20.868 7.582 1.00 0.00 C ATOM 869 C ASP A 60 4.132 20.182 7.850 1.00 0.00 C ATOM 870 O ASP A 60 3.132 20.462 7.192 1.00 0.00 O ATOM 871 CB ASP A 60 5.224 22.339 7.249 1.00 0.00 C ATOM 872 CG ASP A 60 6.547 23.097 7.267 1.00 0.00 C ATOM 873 OD1 ASP A 60 7.513 22.552 7.780 1.00 0.00 O ATOM 874 OD2 ASP A 60 6.578 24.209 6.768 1.00 0.00 O ATOM 0 H ASP A 60 6.272 20.787 5.646 1.00 0.00 H new ATOM 0 HA ASP A 60 6.085 20.800 8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.758 22.428 6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.534 22.777 7.970 1.00 0.00 H new ATOM 879 N LYS A 61 4.129 19.279 8.822 1.00 0.00 N ATOM 880 CA LYS A 61 2.920 18.545 9.166 1.00 0.00 C ATOM 881 C LYS A 61 1.915 19.445 9.878 1.00 0.00 C ATOM 882 O LYS A 61 0.747 19.084 10.022 1.00 0.00 O ATOM 883 CB LYS A 61 3.268 17.374 10.082 1.00 0.00 C ATOM 884 CG LYS A 61 4.172 16.386 9.343 1.00 0.00 C ATOM 885 CD LYS A 61 4.556 15.241 10.282 1.00 0.00 C ATOM 886 CE LYS A 61 5.534 14.304 9.571 1.00 0.00 C ATOM 887 NZ LYS A 61 4.847 13.647 8.423 1.00 0.00 N ATOM 0 H LYS A 61 4.946 19.039 9.383 1.00 0.00 H new ATOM 0 HA LYS A 61 2.475 18.180 8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.769 17.739 10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.357 16.873 10.408 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.658 15.993 8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.068 16.894 8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.011 15.638 11.190 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.665 14.691 10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.400 14.864 9.218 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.904 13.551 10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.317 12.745 8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.852 13.469 8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.892 14.268 7.590 1.00 0.00 H new ATOM 901 N ASP A 62 2.370 20.609 10.335 1.00 0.00 N ATOM 902 CA ASP A 62 1.494 21.539 11.047 1.00 0.00 C ATOM 903 C ASP A 62 0.803 22.514 10.092 1.00 0.00 C ATOM 904 O ASP A 62 -0.348 22.888 10.310 1.00 0.00 O ATOM 905 CB ASP A 62 2.318 22.327 12.068 1.00 0.00 C ATOM 906 CG ASP A 62 1.440 23.362 12.760 1.00 0.00 C ATOM 907 OD1 ASP A 62 0.232 23.276 12.616 1.00 0.00 O ATOM 908 OD2 ASP A 62 1.988 24.228 13.424 1.00 0.00 O ATOM 0 H ASP A 62 3.332 20.930 10.227 1.00 0.00 H new ATOM 0 HA ASP A 62 0.721 20.957 11.548 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.744 21.647 12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.153 22.821 11.571 1.00 0.00 H new ATOM 913 N ASN A 63 1.514 22.939 9.046 1.00 0.00 N ATOM 914 CA ASN A 63 0.951 23.893 8.082 1.00 0.00 C ATOM 915 C ASN A 63 0.362 23.176 6.872 1.00 0.00 C ATOM 916 O ASN A 63 -0.458 23.740 6.146 1.00 0.00 O ATOM 917 CB ASN A 63 2.045 24.856 7.614 1.00 0.00 C ATOM 918 CG ASN A 63 2.439 25.800 8.746 1.00 0.00 C ATOM 919 OD1 ASN A 63 1.690 25.965 9.708 1.00 0.00 O ATOM 920 ND2 ASN A 63 3.579 26.429 8.686 1.00 0.00 N ATOM 0 H ASN A 63 2.469 22.644 8.844 1.00 0.00 H new ATOM 0 HA ASN A 63 0.152 24.444 8.579 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.917 24.293 7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.691 25.431 6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.853 27.061 9.438 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.197 26.289 7.887 1.00 0.00 H new ATOM 927 N CYS A 64 0.763 21.922 6.671 1.00 0.00 N ATOM 928 CA CYS A 64 0.257 21.124 5.551 1.00 0.00 C ATOM 929 C CYS A 64 -0.299 19.801 6.054 1.00 0.00 C ATOM 930 O CYS A 64 0.246 19.192 6.974 1.00 0.00 O ATOM 931 CB CYS A 64 1.373 20.843 4.542 1.00 0.00 C ATOM 932 SG CYS A 64 1.878 22.377 3.727 1.00 0.00 S ATOM 0 H CYS A 64 1.434 21.436 7.266 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.535 21.693 5.064 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.227 20.394 5.049 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.029 20.124 3.799 1.00 0.00 H new ATOM 937 N GLN A 65 -1.381 19.358 5.423 1.00 0.00 N ATOM 938 CA GLN A 65 -2.024 18.090 5.779 1.00 0.00 C ATOM 939 C GLN A 65 -2.024 17.148 4.579 1.00 0.00 C ATOM 940 O GLN A 65 -2.311 17.557 3.455 1.00 0.00 O ATOM 941 CB GLN A 65 -3.460 18.338 6.233 1.00 0.00 C ATOM 942 CG GLN A 65 -4.175 19.212 5.207 1.00 0.00 C ATOM 943 CD GLN A 65 -5.591 19.520 5.684 1.00 0.00 C ATOM 944 OE1 GLN A 65 -5.808 19.749 6.874 1.00 0.00 O ATOM 945 NE2 GLN A 65 -6.571 19.535 4.823 1.00 0.00 N ATOM 0 H GLN A 65 -1.836 19.858 4.659 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.464 17.633 6.595 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.985 17.390 6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.465 18.825 7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.622 20.140 5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.209 18.703 4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.387 19.345 3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.521 19.737 5.135 1.00 0.00 H new ATOM 954 N ARG A 66 -1.685 15.889 4.829 1.00 0.00 N ATOM 955 CA ARG A 66 -1.633 14.890 3.767 1.00 0.00 C ATOM 956 C ARG A 66 -3.031 14.359 3.448 1.00 0.00 C ATOM 957 O ARG A 66 -3.837 14.133 4.351 1.00 0.00 O ATOM 958 CB ARG A 66 -0.723 13.741 4.203 1.00 0.00 C ATOM 959 CG ARG A 66 -1.321 13.059 5.438 1.00 0.00 C ATOM 960 CD ARG A 66 -0.364 11.979 5.942 1.00 0.00 C ATOM 961 NE ARG A 66 -0.949 11.292 7.090 1.00 0.00 N ATOM 962 CZ ARG A 66 -0.840 11.788 8.318 1.00 0.00 C ATOM 963 NH1 ARG A 66 -0.205 12.912 8.513 1.00 0.00 N ATOM 964 NH2 ARG A 66 -1.371 11.154 9.327 1.00 0.00 N ATOM 0 H ARG A 66 -1.443 15.536 5.755 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.235 15.354 2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.615 13.020 3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.274 14.118 4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.499 13.795 6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.286 12.617 5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.157 11.264 5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.589 12.428 6.223 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.450 10.415 6.947 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.207 13.409 7.723 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.121 13.293 9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.870 10.278 9.173 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.287 11.535 10.270 1.00 0.00 H new ATOM 978 N ILE A 67 -3.316 14.179 2.153 1.00 0.00 N ATOM 979 CA ILE A 67 -4.629 13.695 1.707 1.00 0.00 C ATOM 980 C ILE A 67 -4.521 12.340 1.016 1.00 0.00 C ATOM 981 O ILE A 67 -3.620 12.114 0.207 1.00 0.00 O ATOM 982 CB ILE A 67 -5.238 14.712 0.743 1.00 0.00 C ATOM 983 CG1 ILE A 67 -5.194 16.103 1.387 1.00 0.00 C ATOM 984 CG2 ILE A 67 -6.692 14.334 0.453 1.00 0.00 C ATOM 985 CD1 ILE A 67 -5.921 16.085 2.739 1.00 0.00 C ATOM 0 H ILE A 67 -2.657 14.361 1.396 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.265 13.575 2.584 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.672 14.718 -0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.159 16.414 1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.660 16.833 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.126 15.060 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.727 13.342 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.260 14.331 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.883 17.078 3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.961 15.794 2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.436 15.369 3.403 1.00 0.00 H new ATOM 997 N PHE A 68 -5.440 11.431 1.357 1.00 0.00 N ATOM 998 CA PHE A 68 -5.438 10.082 0.784 1.00 0.00 C ATOM 999 C PHE A 68 -6.372 9.957 -0.426 1.00 0.00 C ATOM 1000 O PHE A 68 -7.592 10.078 -0.301 1.00 0.00 O ATOM 1001 CB PHE A 68 -5.868 9.078 1.861 1.00 0.00 C ATOM 1002 CG PHE A 68 -5.853 7.679 1.289 1.00 0.00 C ATOM 1003 CD1 PHE A 68 -4.665 7.150 0.766 1.00 0.00 C ATOM 1004 CD2 PHE A 68 -7.025 6.909 1.279 1.00 0.00 C ATOM 1005 CE1 PHE A 68 -4.648 5.862 0.231 1.00 0.00 C ATOM 1006 CE2 PHE A 68 -7.006 5.618 0.743 1.00 0.00 C ATOM 1007 CZ PHE A 68 -5.816 5.095 0.218 1.00 0.00 C ATOM 0 H PHE A 68 -6.192 11.604 2.024 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.426 9.872 0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.196 9.138 2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.867 9.323 2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.761 7.741 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.941 7.313 1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.732 5.457 -0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.908 5.024 0.733 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.802 4.098 -0.197 1.00 0.00 H new ATOM 1017 N LYS A 69 -5.775 9.691 -1.597 1.00 0.00 N ATOM 1018 CA LYS A 69 -6.531 9.523 -2.852 1.00 0.00 C ATOM 1019 C LYS A 69 -6.361 8.090 -3.387 1.00 0.00 C ATOM 1020 O LYS A 69 -5.314 7.748 -3.932 1.00 0.00 O ATOM 1021 CB LYS A 69 -6.009 10.524 -3.914 1.00 0.00 C ATOM 1022 CG LYS A 69 -6.958 11.724 -4.058 1.00 0.00 C ATOM 1023 CD LYS A 69 -6.960 12.549 -2.772 1.00 0.00 C ATOM 1024 CE LYS A 69 -7.976 13.685 -2.902 1.00 0.00 C ATOM 1025 NZ LYS A 69 -7.478 14.691 -3.882 1.00 0.00 N ATOM 0 H LYS A 69 -4.766 9.587 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.586 9.711 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.016 10.874 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.908 10.019 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.646 12.345 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.967 11.375 -4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.212 11.916 -1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.966 12.955 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.938 13.290 -3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.137 14.156 -1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.569 15.645 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.479 14.500 -4.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.038 14.631 -4.756 1.00 0.00 H new ATOM 1039 N LYS A 70 -7.391 7.265 -3.226 1.00 0.00 N ATOM 1040 CA LYS A 70 -7.342 5.882 -3.701 1.00 0.00 C ATOM 1041 C LYS A 70 -7.235 5.807 -5.218 1.00 0.00 C ATOM 1042 O LYS A 70 -6.495 4.987 -5.761 1.00 0.00 O ATOM 1043 CB LYS A 70 -8.614 5.155 -3.282 1.00 0.00 C ATOM 1044 CG LYS A 70 -8.615 4.970 -1.774 1.00 0.00 C ATOM 1045 CD LYS A 70 -9.864 4.190 -1.344 1.00 0.00 C ATOM 1046 CE LYS A 70 -11.115 5.066 -1.484 1.00 0.00 C ATOM 1047 NZ LYS A 70 -12.237 4.442 -0.734 1.00 0.00 N ATOM 0 H LYS A 70 -8.267 7.526 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.459 5.418 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.490 5.725 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.673 4.186 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.717 4.435 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.594 5.941 -1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.969 3.294 -1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.757 3.860 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.917 6.067 -1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.381 5.175 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.088 5.033 -0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.429 3.496 -1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.980 4.360 0.270 1.00 0.00 H new ATOM 1061 N GLU A 71 -8.021 6.632 -5.895 1.00 0.00 N ATOM 1062 CA GLU A 71 -8.059 6.620 -7.349 1.00 0.00 C ATOM 1063 C GLU A 71 -6.678 6.819 -7.951 1.00 0.00 C ATOM 1064 O GLU A 71 -6.397 6.336 -9.049 1.00 0.00 O ATOM 1065 CB GLU A 71 -8.989 7.723 -7.855 1.00 0.00 C ATOM 1066 CG GLU A 71 -10.424 7.401 -7.446 1.00 0.00 C ATOM 1067 CD GLU A 71 -11.357 8.530 -7.870 1.00 0.00 C ATOM 1068 OE1 GLU A 71 -10.868 9.495 -8.435 1.00 0.00 O ATOM 1069 OE2 GLU A 71 -12.546 8.416 -7.620 1.00 0.00 O ATOM 0 H GLU A 71 -8.640 7.317 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.430 5.643 -7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.688 8.686 -7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.918 7.805 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.740 6.465 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.479 7.259 -6.367 1.00 0.00 H new ATOM 1076 N ASP A 72 -5.815 7.529 -7.234 1.00 0.00 N ATOM 1077 CA ASP A 72 -4.457 7.789 -7.709 1.00 0.00 C ATOM 1078 C ASP A 72 -3.433 7.038 -6.863 1.00 0.00 C ATOM 1079 O ASP A 72 -2.227 7.171 -7.074 1.00 0.00 O ATOM 1080 CB ASP A 72 -4.172 9.287 -7.639 1.00 0.00 C ATOM 1081 CG ASP A 72 -5.030 10.030 -8.659 1.00 0.00 C ATOM 1082 OD1 ASP A 72 -5.526 9.384 -9.566 1.00 0.00 O ATOM 1083 OD2 ASP A 72 -5.176 11.231 -8.514 1.00 0.00 O ATOM 0 H ASP A 72 -6.029 7.935 -6.323 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.378 7.442 -8.739 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.381 9.659 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.116 9.474 -7.835 1.00 0.00 H new ATOM 1088 N CYS A 73 -3.916 6.239 -5.909 1.00 0.00 N ATOM 1089 CA CYS A 73 -3.026 5.466 -5.041 1.00 0.00 C ATOM 1090 C CYS A 73 -1.788 6.279 -4.662 1.00 0.00 C ATOM 1091 O CYS A 73 -0.656 5.878 -4.940 1.00 0.00 O ATOM 1092 CB CYS A 73 -2.613 4.174 -5.755 1.00 0.00 C ATOM 1093 SG CYS A 73 -3.884 2.915 -5.507 1.00 0.00 S ATOM 0 H CYS A 73 -4.910 6.111 -5.719 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.560 5.220 -4.123 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.476 4.362 -6.820 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.657 3.822 -5.368 1.00 0.00 H new ATOM 1098 N LYS A 74 -2.013 7.421 -4.027 1.00 0.00 N ATOM 1099 CA LYS A 74 -0.913 8.277 -3.614 1.00 0.00 C ATOM 1100 C LYS A 74 -1.356 9.271 -2.548 1.00 0.00 C ATOM 1101 O LYS A 74 -2.547 9.522 -2.369 1.00 0.00 O ATOM 1102 CB LYS A 74 -0.349 9.039 -4.824 1.00 0.00 C ATOM 1103 CG LYS A 74 -1.380 10.047 -5.365 1.00 0.00 C ATOM 1104 CD LYS A 74 -0.767 10.792 -6.557 1.00 0.00 C ATOM 1105 CE LYS A 74 -1.642 11.990 -6.943 1.00 0.00 C ATOM 1106 NZ LYS A 74 -0.962 12.773 -8.016 1.00 0.00 N ATOM 0 H LYS A 74 -2.940 7.773 -3.789 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.137 7.639 -3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.562 9.563 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.077 8.334 -5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.289 9.529 -5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.663 10.753 -4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.237 11.133 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.670 10.116 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.616 11.646 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.818 12.622 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.554 13.587 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.042 13.112 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.816 12.167 -8.848 1.00 0.00 H new ATOM 1120 N TYR A 75 -0.374 9.860 -1.870 1.00 0.00 N ATOM 1121 CA TYR A 75 -0.634 10.869 -0.843 1.00 0.00 C ATOM 1122 C TYR A 75 -0.125 12.212 -1.335 1.00 0.00 C ATOM 1123 O TYR A 75 0.918 12.290 -1.981 1.00 0.00 O ATOM 1124 CB TYR A 75 0.082 10.498 0.473 1.00 0.00 C ATOM 1125 CG TYR A 75 -0.846 9.718 1.377 1.00 0.00 C ATOM 1126 CD1 TYR A 75 -1.779 10.397 2.170 1.00 0.00 C ATOM 1127 CD2 TYR A 75 -0.771 8.328 1.422 1.00 0.00 C ATOM 1128 CE1 TYR A 75 -2.638 9.679 3.007 1.00 0.00 C ATOM 1129 CE2 TYR A 75 -1.629 7.606 2.259 1.00 0.00 C ATOM 1130 CZ TYR A 75 -2.564 8.283 3.050 1.00 0.00 C ATOM 1131 OH TYR A 75 -3.413 7.573 3.874 1.00 0.00 O ATOM 0 H TYR A 75 0.615 9.655 -2.014 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.706 10.919 -0.653 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.971 9.906 0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.417 11.403 0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.835 11.475 2.135 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.050 7.807 0.810 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.358 10.201 3.620 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.570 6.528 2.294 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.196 7.280 3.363 1.00 0.00 H new ATOM 1141 N ILE A 76 -0.866 13.267 -1.026 1.00 0.00 N ATOM 1142 CA ILE A 76 -0.488 14.615 -1.431 1.00 0.00 C ATOM 1143 C ILE A 76 -0.637 15.553 -0.248 1.00 0.00 C ATOM 1144 O ILE A 76 -1.628 15.500 0.477 1.00 0.00 O ATOM 1145 CB ILE A 76 -1.370 15.080 -2.592 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -2.842 15.057 -2.168 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -1.171 14.145 -3.785 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -3.726 15.381 -3.374 1.00 0.00 C ATOM 0 H ILE A 76 -1.735 13.216 -0.495 1.00 0.00 H new ATOM 0 HA ILE A 76 0.550 14.618 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.092 16.097 -2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.101 14.077 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.014 15.782 -1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.798 14.474 -4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.125 14.164 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.448 13.130 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.773 15.365 -3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.474 16.371 -3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.562 14.639 -4.155 1.00 0.00 H new ATOM 1160 N VAL A 77 0.361 16.410 -0.048 1.00 0.00 N ATOM 1161 CA VAL A 77 0.341 17.362 1.059 1.00 0.00 C ATOM 1162 C VAL A 77 0.259 18.781 0.518 1.00 0.00 C ATOM 1163 O VAL A 77 1.070 19.192 -0.310 1.00 0.00 O ATOM 1164 CB VAL A 77 1.614 17.198 1.906 1.00 0.00 C ATOM 1165 CG1 VAL A 77 1.458 16.023 2.873 1.00 0.00 C ATOM 1166 CG2 VAL A 77 2.804 16.931 0.983 1.00 0.00 C ATOM 0 H VAL A 77 1.192 16.465 -0.637 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.532 17.169 1.683 1.00 0.00 H new ATOM 0 HB VAL A 77 1.780 18.112 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.366 15.917 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.611 16.206 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.286 15.107 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.708 16.814 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.625 16.019 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.928 17.769 0.297 1.00 0.00 H new ATOM 1176 N VAL A 78 -0.736 19.522 0.999 1.00 0.00 N ATOM 1177 CA VAL A 78 -0.938 20.908 0.567 1.00 0.00 C ATOM 1178 C VAL A 78 -1.159 21.806 1.778 1.00 0.00 C ATOM 1179 O VAL A 78 -1.518 21.333 2.855 1.00 0.00 O ATOM 1180 CB VAL A 78 -2.162 21.002 -0.362 1.00 0.00 C ATOM 1181 CG1 VAL A 78 -1.935 20.182 -1.662 1.00 0.00 C ATOM 1182 CG2 VAL A 78 -3.395 20.470 0.378 1.00 0.00 C ATOM 0 H VAL A 78 -1.414 19.190 1.685 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.049 21.235 0.028 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.315 22.045 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.814 20.264 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.064 20.570 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.768 19.135 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.266 20.533 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.229 19.431 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.568 21.067 1.273 1.00 0.00 H new ATOM 1192 N GLU A 79 -0.950 23.104 1.594 1.00 0.00 N ATOM 1193 CA GLU A 79 -1.140 24.053 2.679 1.00 0.00 C ATOM 1194 C GLU A 79 -2.587 24.006 3.153 1.00 0.00 C ATOM 1195 O GLU A 79 -3.492 23.727 2.366 1.00 0.00 O ATOM 1196 CB GLU A 79 -0.791 25.462 2.201 1.00 0.00 C ATOM 1197 CG GLU A 79 0.697 25.532 1.850 1.00 0.00 C ATOM 1198 CD GLU A 79 1.539 25.422 3.117 1.00 0.00 C ATOM 1199 OE1 GLU A 79 0.966 25.478 4.192 1.00 0.00 O ATOM 1200 OE2 GLU A 79 2.745 25.288 2.994 1.00 0.00 O ATOM 0 H GLU A 79 -0.652 23.519 0.711 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.485 23.789 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.393 25.721 1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.026 26.189 2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.955 24.727 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.915 26.470 1.339 1.00 0.00 H new ATOM 1207 N LYS A 80 -2.808 24.308 4.429 1.00 0.00 N ATOM 1208 CA LYS A 80 -4.152 24.327 4.979 1.00 0.00 C ATOM 1209 C LYS A 80 -4.893 25.587 4.527 1.00 0.00 C ATOM 1210 O LYS A 80 -6.076 25.541 4.185 1.00 0.00 O ATOM 1211 CB LYS A 80 -4.055 24.278 6.500 1.00 0.00 C ATOM 1212 CG LYS A 80 -3.501 22.912 6.918 1.00 0.00 C ATOM 1213 CD LYS A 80 -3.243 22.910 8.420 1.00 0.00 C ATOM 1214 CE LYS A 80 -2.736 21.535 8.864 1.00 0.00 C ATOM 1215 NZ LYS A 80 -2.469 21.550 10.333 1.00 0.00 N ATOM 0 H LYS A 80 -2.073 24.542 5.097 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.712 23.463 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.406 25.075 6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.037 24.439 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.209 22.125 6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.578 22.701 6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.509 23.676 8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.160 23.159 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.475 20.770 8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.826 21.279 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.273 20.582 10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.647 22.156 10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.301 21.922 10.833 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.173 26.710 4.526 1.00 0.00 N ATOM 1230 CA LYS A 81 -4.748 27.988 4.114 1.00 0.00 C ATOM 1231 C LYS A 81 -5.196 27.925 2.660 1.00 0.00 C ATOM 1232 O LYS A 81 -6.255 28.441 2.306 1.00 0.00 O ATOM 1233 CB LYS A 81 -3.712 29.107 4.277 1.00 0.00 C ATOM 1234 CG LYS A 81 -4.360 30.459 3.959 1.00 0.00 C ATOM 1235 CD LYS A 81 -3.341 31.582 4.178 1.00 0.00 C ATOM 1236 CE LYS A 81 -3.993 32.934 3.876 1.00 0.00 C ATOM 1237 NZ LYS A 81 -3.014 34.028 4.135 1.00 0.00 N ATOM 0 H LYS A 81 -3.193 26.759 4.805 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.612 28.196 4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.322 29.110 5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.866 28.933 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.713 30.471 2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.231 30.615 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.979 31.563 5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.475 31.432 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.324 32.966 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.878 33.069 4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.457 34.946 3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.719 34.001 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.182 33.901 3.524 1.00 0.00 H new ATOM 1251 N ASP A 82 -4.382 27.288 1.820 1.00 0.00 N ATOM 1252 CA ASP A 82 -4.698 27.160 0.396 1.00 0.00 C ATOM 1253 C ASP A 82 -4.368 25.736 -0.091 1.00 0.00 C ATOM 1254 O ASP A 82 -3.200 25.418 -0.312 1.00 0.00 O ATOM 1255 CB ASP A 82 -3.885 28.177 -0.404 1.00 0.00 C ATOM 1256 CG ASP A 82 -4.166 29.585 0.116 1.00 0.00 C ATOM 1257 OD1 ASP A 82 -5.258 29.807 0.613 1.00 0.00 O ATOM 1258 OD2 ASP A 82 -3.285 30.422 0.004 1.00 0.00 O ATOM 0 H ASP A 82 -3.502 26.854 2.098 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.761 27.349 0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.821 27.954 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.142 28.111 -1.461 1.00 0.00 H new ATOM 1263 N PRO A 83 -5.352 24.866 -0.242 1.00 0.00 N ATOM 1264 CA PRO A 83 -5.116 23.457 -0.684 1.00 0.00 C ATOM 1265 C PRO A 83 -4.759 23.349 -2.167 1.00 0.00 C ATOM 1266 O PRO A 83 -4.327 22.295 -2.635 1.00 0.00 O ATOM 1267 CB PRO A 83 -6.442 22.746 -0.368 1.00 0.00 C ATOM 1268 CG PRO A 83 -7.481 23.819 -0.425 1.00 0.00 C ATOM 1269 CD PRO A 83 -6.789 25.124 -0.017 1.00 0.00 C ATOM 0 HA PRO A 83 -4.261 23.012 -0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.649 21.958 -1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.413 22.277 0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.899 23.900 -1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.308 23.593 0.248 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.140 25.964 -0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.990 25.371 1.026 1.00 0.00 H new ATOM 1277 N LYS A 84 -4.935 24.440 -2.902 1.00 0.00 N ATOM 1278 CA LYS A 84 -4.617 24.440 -4.325 1.00 0.00 C ATOM 1279 C LYS A 84 -3.121 24.224 -4.545 1.00 0.00 C ATOM 1280 O LYS A 84 -2.713 23.504 -5.456 1.00 0.00 O ATOM 1281 CB LYS A 84 -5.041 25.767 -4.957 1.00 0.00 C ATOM 1282 CG LYS A 84 -6.570 25.858 -4.999 1.00 0.00 C ATOM 1283 CD LYS A 84 -6.990 27.242 -5.519 1.00 0.00 C ATOM 1284 CE LYS A 84 -6.811 27.309 -7.039 1.00 0.00 C ATOM 1285 NZ LYS A 84 -7.518 28.506 -7.568 1.00 0.00 N ATOM 0 H LYS A 84 -5.291 25.326 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.162 23.622 -4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.634 26.600 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.635 25.846 -5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.973 25.078 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.982 25.692 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.030 27.437 -5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.391 28.016 -5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.751 27.359 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.206 26.405 -7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.397 28.553 -8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.531 28.440 -7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.121 29.364 -7.134 1.00 0.00 H new ATOM 1299 N LYS A 85 -2.311 24.867 -3.708 1.00 0.00 N ATOM 1300 CA LYS A 85 -0.857 24.764 -3.810 1.00 0.00 C ATOM 1301 C LYS A 85 -0.338 23.549 -3.049 1.00 0.00 C ATOM 1302 O LYS A 85 -0.825 23.231 -1.966 1.00 0.00 O ATOM 1303 CB LYS A 85 -0.213 26.027 -3.243 1.00 0.00 C ATOM 1304 CG LYS A 85 1.291 25.988 -3.508 1.00 0.00 C ATOM 1305 CD LYS A 85 1.930 27.290 -3.022 1.00 0.00 C ATOM 1306 CE LYS A 85 3.433 27.268 -3.318 1.00 0.00 C ATOM 1307 NZ LYS A 85 4.051 28.553 -2.877 1.00 0.00 N ATOM 0 H LYS A 85 -2.637 25.466 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.596 24.651 -4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.652 26.912 -3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.404 26.097 -2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.739 25.137 -2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.480 25.854 -4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.464 28.142 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.762 27.412 -1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.903 26.431 -2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.601 27.119 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.071 28.535 -3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.610 29.344 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.903 28.677 -1.855 1.00 0.00 H new ATOM 1321 N THR A 86 0.654 22.873 -3.622 1.00 0.00 N ATOM 1322 CA THR A 86 1.234 21.694 -2.987 1.00 0.00 C ATOM 1323 C THR A 86 2.218 22.098 -1.892 1.00 0.00 C ATOM 1324 O THR A 86 2.608 23.260 -1.792 1.00 0.00 O ATOM 1325 CB THR A 86 1.955 20.846 -4.037 1.00 0.00 C ATOM 1326 OG1 THR A 86 3.014 21.600 -4.608 1.00 0.00 O ATOM 1327 CG2 THR A 86 0.966 20.441 -5.134 1.00 0.00 C ATOM 0 H THR A 86 1.071 23.120 -4.520 1.00 0.00 H new ATOM 0 HA THR A 86 0.430 21.114 -2.535 1.00 0.00 H new ATOM 0 HB THR A 86 2.360 19.951 -3.565 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.477 21.057 -5.279 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.480 19.837 -5.882 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.153 19.862 -4.695 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.560 21.336 -5.606 1.00 0.00 H new ATOM 1335 N CYS A 87 2.617 21.123 -1.069 1.00 0.00 N ATOM 1336 CA CYS A 87 3.562 21.372 0.028 1.00 0.00 C ATOM 1337 C CYS A 87 4.902 20.689 -0.261 1.00 0.00 C ATOM 1338 O CYS A 87 4.935 19.539 -0.696 1.00 0.00 O ATOM 1339 CB CYS A 87 2.975 20.844 1.350 1.00 0.00 C ATOM 1340 SG CYS A 87 3.561 21.862 2.731 1.00 0.00 S ATOM 0 H CYS A 87 2.302 20.155 -1.140 1.00 0.00 H new ATOM 0 HA CYS A 87 3.729 22.446 0.114 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.886 20.863 1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.270 19.806 1.501 1.00 0.00 H new ATOM 1345 N SER A 88 6.002 21.401 -0.021 1.00 0.00 N ATOM 1346 CA SER A 88 7.332 20.841 -0.270 1.00 0.00 C ATOM 1347 C SER A 88 7.594 19.641 0.640 1.00 0.00 C ATOM 1348 O SER A 88 7.259 19.660 1.823 1.00 0.00 O ATOM 1349 CB SER A 88 8.405 21.906 -0.028 1.00 0.00 C ATOM 1350 OG SER A 88 8.406 22.825 -1.111 1.00 0.00 O ATOM 0 H SER A 88 6.002 22.355 0.341 1.00 0.00 H new ATOM 0 HA SER A 88 7.372 20.512 -1.308 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.210 22.429 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.384 21.437 0.067 1.00 0.00 H new ATOM 0 HG SER A 88 9.091 23.509 -0.959 1.00 0.00 H new ATOM 1356 N VAL A 89 8.206 18.599 0.072 1.00 0.00 N ATOM 1357 CA VAL A 89 8.525 17.380 0.825 1.00 0.00 C ATOM 1358 C VAL A 89 9.979 16.976 0.593 1.00 0.00 C ATOM 1359 O VAL A 89 10.459 16.979 -0.540 1.00 0.00 O ATOM 1360 CB VAL A 89 7.588 16.252 0.384 1.00 0.00 C ATOM 1361 CG1 VAL A 89 7.615 15.115 1.411 1.00 0.00 C ATOM 1362 CG2 VAL A 89 6.162 16.804 0.269 1.00 0.00 C ATOM 0 H VAL A 89 8.491 18.573 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 89 8.388 17.571 1.889 1.00 0.00 H new ATOM 0 HB VAL A 89 7.916 15.865 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.946 14.318 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.629 14.725 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.289 15.492 2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.488 16.007 -0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.842 17.190 1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.141 17.608 -0.467 1.00 0.00 H new ATOM 1372 N SER A 90 10.676 16.620 1.673 1.00 0.00 N ATOM 1373 CA SER A 90 12.071 16.208 1.569 1.00 0.00 C ATOM 1374 C SER A 90 12.187 14.900 0.794 1.00 0.00 C ATOM 1375 O SER A 90 13.109 14.718 -0.005 1.00 0.00 O ATOM 1376 CB SER A 90 12.671 16.021 2.965 1.00 0.00 C ATOM 1377 OG SER A 90 14.090 16.049 2.875 1.00 0.00 O ATOM 0 H SER A 90 10.299 16.609 2.621 1.00 0.00 H new ATOM 0 HA SER A 90 12.617 16.988 1.038 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.322 16.809 3.632 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.341 15.074 3.391 1.00 0.00 H new ATOM 0 HG SER A 90 14.477 15.931 3.768 1.00 0.00 H new ATOM 1383 N GLU A 91 11.255 13.986 1.047 1.00 0.00 N ATOM 1384 CA GLU A 91 11.275 12.693 0.374 1.00 0.00 C ATOM 1385 C GLU A 91 9.999 11.898 0.651 1.00 0.00 C ATOM 1386 O GLU A 91 9.152 12.313 1.441 1.00 0.00 O ATOM 1387 CB GLU A 91 12.495 11.894 0.843 1.00 0.00 C ATOM 1388 CG GLU A 91 12.342 11.518 2.321 1.00 0.00 C ATOM 1389 CD GLU A 91 13.628 10.873 2.830 1.00 0.00 C ATOM 1390 OE1 GLU A 91 14.689 11.374 2.497 1.00 0.00 O ATOM 1391 OE2 GLU A 91 13.532 9.887 3.542 1.00 0.00 O ATOM 0 H GLU A 91 10.486 14.114 1.705 1.00 0.00 H new ATOM 0 HA GLU A 91 11.334 12.868 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.603 10.993 0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.401 12.483 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.113 12.407 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.506 10.830 2.445 1.00 0.00 H new ATOM 1398 N TRP A 92 9.880 10.746 -0.010 1.00 0.00 N ATOM 1399 CA TRP A 92 8.720 9.863 0.154 1.00 0.00 C ATOM 1400 C TRP A 92 9.191 8.451 0.504 1.00 0.00 C ATOM 1401 O TRP A 92 10.254 8.018 0.058 1.00 0.00 O ATOM 1402 CB TRP A 92 7.914 9.815 -1.148 1.00 0.00 C ATOM 1403 CG TRP A 92 7.389 11.179 -1.462 1.00 0.00 C ATOM 1404 CD1 TRP A 92 8.135 12.223 -1.897 1.00 0.00 C ATOM 1405 CD2 TRP A 92 6.020 11.659 -1.382 1.00 0.00 C ATOM 1406 NE1 TRP A 92 7.306 13.314 -2.082 1.00 0.00 N ATOM 1407 CE2 TRP A 92 5.992 13.016 -1.779 1.00 0.00 C ATOM 1408 CE3 TRP A 92 4.811 11.053 -1.004 1.00 0.00 C ATOM 1409 CZ2 TRP A 92 4.804 13.745 -1.801 1.00 0.00 C ATOM 1410 CZ3 TRP A 92 3.613 11.780 -1.023 1.00 0.00 C ATOM 1411 CH2 TRP A 92 3.609 13.127 -1.422 1.00 0.00 C ATOM 0 H TRP A 92 10.577 10.399 -0.669 1.00 0.00 H new ATOM 0 HA TRP A 92 8.092 10.250 0.957 1.00 0.00 H new ATOM 0 HB2 TRP A 92 8.543 9.459 -1.964 1.00 0.00 H new ATOM 0 HB3 TRP A 92 7.089 9.110 -1.051 1.00 0.00 H new ATOM 0 HD1 TRP A 92 9.201 12.206 -2.071 1.00 0.00 H new ATOM 0 HE1 TRP A 92 7.626 14.228 -2.403 1.00 0.00 H new ATOM 0 HE3 TRP A 92 4.804 10.018 -0.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 4.807 14.780 -2.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 2.689 11.303 -0.730 1.00 0.00 H new ATOM 0 HH2 TRP A 92 2.684 13.684 -1.436 1.00 0.00 H new ATOM 1422 N ILE A 93 8.400 7.736 1.304 1.00 0.00 N ATOM 1423 CA ILE A 93 8.753 6.367 1.706 1.00 0.00 C ATOM 1424 C ILE A 93 7.997 5.352 0.853 1.00 0.00 C ATOM 1425 O ILE A 93 6.771 5.397 0.753 1.00 0.00 O ATOM 1426 CB ILE A 93 8.397 6.141 3.176 1.00 0.00 C ATOM 1427 CG1 ILE A 93 9.130 7.166 4.043 1.00 0.00 C ATOM 1428 CG2 ILE A 93 8.806 4.726 3.597 1.00 0.00 C ATOM 1429 CD1 ILE A 93 8.605 7.094 5.480 1.00 0.00 C ATOM 0 H ILE A 93 7.517 8.075 1.686 1.00 0.00 H new ATOM 0 HA ILE A 93 9.826 6.236 1.563 1.00 0.00 H new ATOM 0 HB ILE A 93 7.321 6.257 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.202 6.970 4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.983 8.169 3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.550 4.570 4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.278 3.997 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.881 4.603 3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.129 7.825 6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.537 7.311 5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.775 6.094 5.880 1.00 0.00 H new ATOM 1441 N ILE A 94 8.738 4.438 0.238 1.00 0.00 N ATOM 1442 CA ILE A 94 8.132 3.416 -0.608 1.00 0.00 C ATOM 1443 C ILE A 94 9.173 2.383 -1.030 1.00 0.00 C ATOM 1444 O ILE A 94 10.334 2.747 -1.126 1.00 0.00 O ATOM 1445 CB ILE A 94 7.515 4.071 -1.848 1.00 0.00 C ATOM 1446 CG1 ILE A 94 6.794 3.020 -2.709 1.00 0.00 C ATOM 1447 CG2 ILE A 94 8.620 4.730 -2.674 1.00 0.00 C ATOM 1448 CD1 ILE A 94 5.635 2.386 -1.926 1.00 0.00 C ATOM 1449 OXT ILE A 94 8.795 1.244 -1.250 1.00 0.00 O ATOM 0 H ILE A 94 9.754 4.383 0.308 1.00 0.00 H new ATOM 0 HA ILE A 94 7.352 2.909 -0.040 1.00 0.00 H new ATOM 0 HB ILE A 94 6.791 4.820 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.414 3.485 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 94 7.499 2.247 -3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.185 5.197 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.121 5.488 -2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.343 3.975 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 94 5.136 1.645 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.023 1.903 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.922 3.160 -1.642 1.00 0.00 H new