USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 576 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 65 ASN : amide:sc= -0.566 K(o=0.13,f=-8.8!) USER MOD Set 1.2: A 67 SER OG : rot 88:sc= 0.701 USER MOD Set 2.1: A 46 LYS NZ :NH3+ 153:sc= 0 (180deg=0) USER MOD Set 2.2: A 58 ASN : amide:sc= -0.562 K(o=-0.56,f=-6!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 60:sc= -0.114 USER MOD Single : A 22 MET CE :methyl -154:sc=-0.00463 (180deg=-1.2) USER MOD Single : A 23 THR OG1 : rot -66:sc= 0.565 USER MOD Single : A 24 THR OG1 : rot -100:sc= -0.979 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc=0.000462 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -175:sc=-0.00875 (180deg=-0.0341) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= -0.0341 (180deg=-0.291) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.3 USER MOD Single : A 60 SER OG : rot -85:sc= 0.754 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0.023) USER MOD Single : A 74 GLN : amide:sc= 0.361 K(o=0.36,f=-0.77) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -1.18 USER MOD Single : A 78 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.018) USER MOD Single : A 81 LYS NZ :NH3+ 147:sc= -0.0379 (180deg=-1.42!) USER MOD Single : A 84 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.00087) USER MOD Single : A 85 THR OG1 : rot -173:sc= -0.34 USER MOD ----------------------------------------------------------------- ATOM 178 N TYR A 12 -14.414 -9.561 -7.594 1.00 0.00 N ATOM 179 CA TYR A 12 -13.345 -9.105 -8.477 1.00 0.00 C ATOM 180 C TYR A 12 -11.981 -9.523 -7.935 1.00 0.00 C ATOM 181 O TYR A 12 -11.354 -8.788 -7.173 1.00 0.00 O ATOM 182 CB TYR A 12 -13.393 -7.582 -8.644 1.00 0.00 C ATOM 183 CG TYR A 12 -13.841 -6.838 -7.404 1.00 0.00 C ATOM 184 CD1 TYR A 12 -12.952 -6.565 -6.370 1.00 0.00 C ATOM 185 CD2 TYR A 12 -15.154 -6.406 -7.268 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.358 -5.883 -5.240 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.568 -5.723 -6.140 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.668 -5.465 -5.130 1.00 0.00 C ATOM 189 OH TYR A 12 -15.076 -4.784 -4.006 1.00 0.00 O ATOM 0 HA TYR A 12 -13.494 -9.571 -9.451 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.403 -7.227 -8.930 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -14.068 -7.338 -9.465 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -11.926 -6.892 -6.452 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.863 -6.607 -8.057 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.654 -5.678 -4.447 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.593 -5.393 -6.051 1.00 0.00 H new ATOM 0 HH TYR A 12 -16.027 -4.560 -4.086 1.00 0.00 H new ATOM 199 N PRO A 13 -11.501 -10.715 -8.318 1.00 0.00 N ATOM 200 CA PRO A 13 -10.215 -11.225 -7.866 1.00 0.00 C ATOM 201 C PRO A 13 -9.069 -10.810 -8.783 1.00 0.00 C ATOM 202 O PRO A 13 -8.477 -11.642 -9.472 1.00 0.00 O ATOM 203 CB PRO A 13 -10.435 -12.730 -7.915 1.00 0.00 C ATOM 204 CG PRO A 13 -11.344 -12.933 -9.084 1.00 0.00 C ATOM 205 CD PRO A 13 -12.173 -11.674 -9.216 1.00 0.00 C ATOM 0 HA PRO A 13 -9.928 -10.844 -6.886 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.494 -13.265 -8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.886 -13.096 -6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.770 -13.115 -9.993 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.983 -13.803 -8.931 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.192 -11.313 -10.244 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.208 -11.843 -8.918 1.00 0.00 H new ATOM 213 N CYS A 14 -8.761 -9.519 -8.783 1.00 0.00 N ATOM 214 CA CYS A 14 -7.684 -8.988 -9.613 1.00 0.00 C ATOM 215 C CYS A 14 -6.904 -7.913 -8.864 1.00 0.00 C ATOM 216 O CYS A 14 -7.319 -7.462 -7.797 1.00 0.00 O ATOM 217 CB CYS A 14 -8.250 -8.413 -10.913 1.00 0.00 C ATOM 218 SG CYS A 14 -8.252 -9.577 -12.297 1.00 0.00 S ATOM 0 H CYS A 14 -9.241 -8.819 -8.218 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.004 -9.806 -9.853 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.271 -8.076 -10.734 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.669 -7.534 -11.192 1.00 0.00 H new ATOM 0 HG CYS A 14 -8.751 -8.999 -13.349 1.00 0.00 H new ATOM 224 N LEU A 15 -5.773 -7.508 -9.430 1.00 0.00 N ATOM 225 CA LEU A 15 -4.936 -6.485 -8.814 1.00 0.00 C ATOM 226 C LEU A 15 -5.532 -5.097 -9.022 1.00 0.00 C ATOM 227 O LEU A 15 -5.700 -4.646 -10.156 1.00 0.00 O ATOM 228 CB LEU A 15 -3.519 -6.538 -9.392 1.00 0.00 C ATOM 229 CG LEU A 15 -2.492 -7.261 -8.520 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.397 -7.872 -9.379 1.00 0.00 C ATOM 231 CD2 LEU A 15 -1.898 -6.304 -7.496 1.00 0.00 C ATOM 0 H LEU A 15 -5.415 -7.872 -10.313 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.891 -6.684 -7.743 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.558 -7.029 -10.364 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.174 -5.518 -9.563 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.997 -8.066 -7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.676 -8.382 -8.741 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.836 -8.588 -10.074 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.893 -7.085 -9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.169 -6.834 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.407 -5.478 -8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.692 -5.914 -6.859 1.00 0.00 H new ATOM 243 N TRP A 16 -5.852 -4.425 -7.923 1.00 0.00 N ATOM 244 CA TRP A 16 -6.431 -3.088 -7.984 1.00 0.00 C ATOM 245 C TRP A 16 -5.479 -2.053 -7.392 1.00 0.00 C ATOM 246 O TRP A 16 -4.884 -2.273 -6.338 1.00 0.00 O ATOM 247 CB TRP A 16 -7.766 -3.052 -7.239 1.00 0.00 C ATOM 248 CG TRP A 16 -8.548 -1.797 -7.483 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.911 -0.865 -6.553 1.00 0.00 C ATOM 250 CD2 TRP A 16 -9.062 -1.337 -8.736 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.619 0.147 -7.155 1.00 0.00 N ATOM 252 CE2 TRP A 16 -9.726 -0.119 -8.494 1.00 0.00 C ATOM 253 CE3 TRP A 16 -9.025 -1.835 -10.042 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -10.348 0.605 -9.508 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -9.642 -1.116 -11.049 1.00 0.00 C ATOM 256 CH2 TRP A 16 -10.295 0.093 -10.777 1.00 0.00 C ATOM 0 H TRP A 16 -5.720 -4.784 -6.977 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.600 -2.842 -9.032 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.366 -3.910 -7.541 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.580 -3.154 -6.170 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.676 -0.916 -5.500 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.003 0.965 -6.681 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -8.523 -2.766 -10.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.854 1.537 -9.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -9.620 -1.492 -12.061 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -10.767 0.633 -11.585 1.00 0.00 H new ATOM 267 N ASP A 17 -5.343 -0.924 -8.079 1.00 0.00 N ATOM 268 CA ASP A 17 -4.465 0.148 -7.623 1.00 0.00 C ATOM 269 C ASP A 17 -5.232 1.141 -6.754 1.00 0.00 C ATOM 270 O ASP A 17 -6.415 1.392 -6.980 1.00 0.00 O ATOM 271 CB ASP A 17 -3.842 0.871 -8.819 1.00 0.00 C ATOM 272 CG ASP A 17 -2.897 -0.018 -9.603 1.00 0.00 C ATOM 273 OD1 ASP A 17 -3.364 -0.702 -10.538 1.00 0.00 O ATOM 274 OD2 ASP A 17 -1.690 -0.029 -9.282 1.00 0.00 O ATOM 0 H ASP A 17 -5.829 -0.727 -8.954 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.669 -0.295 -7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.634 1.226 -9.479 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.302 1.750 -8.468 1.00 0.00 H new ATOM 279 N TYR A 18 -4.552 1.700 -5.759 1.00 0.00 N ATOM 280 CA TYR A 18 -5.175 2.663 -4.858 1.00 0.00 C ATOM 281 C TYR A 18 -4.386 3.968 -4.819 1.00 0.00 C ATOM 282 O TYR A 18 -3.324 4.045 -4.201 1.00 0.00 O ATOM 283 CB TYR A 18 -5.280 2.078 -3.447 1.00 0.00 C ATOM 284 CG TYR A 18 -6.097 0.807 -3.376 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.472 0.852 -3.189 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.492 -0.438 -3.496 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.222 -0.306 -3.122 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.236 -1.601 -3.431 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.600 -1.530 -3.243 1.00 0.00 C ATOM 290 OH TYR A 18 -8.343 -2.686 -3.177 1.00 0.00 O ATOM 0 H TYR A 18 -3.572 1.504 -5.556 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.175 2.876 -5.234 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.277 1.876 -3.071 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.724 2.823 -2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.964 1.809 -3.094 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.424 -0.498 -3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.291 -0.253 -2.976 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.751 -2.561 -3.527 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.011 -2.687 -3.894 1.00 0.00 H new ATOM 300 N ARG A 19 -4.914 4.995 -5.478 1.00 0.00 N ATOM 301 CA ARG A 19 -4.260 6.298 -5.512 1.00 0.00 C ATOM 302 C ARG A 19 -4.425 7.017 -4.178 1.00 0.00 C ATOM 303 O ARG A 19 -5.474 7.599 -3.901 1.00 0.00 O ATOM 304 CB ARG A 19 -4.835 7.155 -6.643 1.00 0.00 C ATOM 305 CG ARG A 19 -3.970 8.354 -6.998 1.00 0.00 C ATOM 306 CD ARG A 19 -4.598 9.659 -6.532 1.00 0.00 C ATOM 307 NE ARG A 19 -5.058 10.476 -7.653 1.00 0.00 N ATOM 308 CZ ARG A 19 -4.255 11.241 -8.392 1.00 0.00 C ATOM 309 NH1 ARG A 19 -2.954 11.290 -8.135 1.00 0.00 N ATOM 310 NH2 ARG A 19 -4.755 11.958 -9.389 1.00 0.00 N ATOM 0 H ARG A 19 -5.792 4.950 -5.995 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.197 6.141 -5.694 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.962 6.534 -7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.826 7.505 -6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.986 8.241 -6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.820 8.387 -8.077 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.438 9.442 -5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.871 10.222 -5.947 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.052 10.460 -7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.564 10.741 -7.369 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.344 11.877 -8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.754 11.924 -9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.140 12.543 -9.954 1.00 0.00 H new ATOM 324 N VAL A 20 -3.388 6.964 -3.350 1.00 0.00 N ATOM 325 CA VAL A 20 -3.422 7.604 -2.041 1.00 0.00 C ATOM 326 C VAL A 20 -2.364 8.695 -1.925 1.00 0.00 C ATOM 327 O VAL A 20 -1.173 8.439 -2.103 1.00 0.00 O ATOM 328 CB VAL A 20 -3.201 6.579 -0.913 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.447 7.217 0.445 1.00 0.00 C ATOM 330 CG2 VAL A 20 -4.096 5.365 -1.111 1.00 0.00 C ATOM 0 H VAL A 20 -2.513 6.484 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.411 8.051 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.164 6.246 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.286 6.477 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.759 8.050 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.473 7.581 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.926 4.652 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.140 5.678 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.864 4.894 -2.066 1.00 0.00 H new ATOM 340 N ILE A 21 -2.804 9.909 -1.615 1.00 0.00 N ATOM 341 CA ILE A 21 -1.892 11.037 -1.464 1.00 0.00 C ATOM 342 C ILE A 21 -1.882 11.535 -0.024 1.00 0.00 C ATOM 343 O ILE A 21 -2.922 11.580 0.632 1.00 0.00 O ATOM 344 CB ILE A 21 -2.262 12.211 -2.393 1.00 0.00 C ATOM 345 CG1 ILE A 21 -2.743 11.720 -3.768 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.078 13.151 -2.546 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.026 10.488 -4.291 1.00 0.00 C ATOM 0 H ILE A 21 -3.786 10.138 -1.463 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.902 10.674 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.089 12.752 -1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.810 11.504 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.621 12.528 -4.490 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.351 13.976 -3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.797 13.544 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.236 12.608 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.433 10.217 -5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.961 10.701 -4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.169 9.661 -3.595 1.00 0.00 H new ATOM 359 N MET A 22 -0.703 11.904 0.465 1.00 0.00 N ATOM 360 CA MET A 22 -0.564 12.392 1.825 1.00 0.00 C ATOM 361 C MET A 22 0.045 13.785 1.839 1.00 0.00 C ATOM 362 O MET A 22 0.801 14.155 0.940 1.00 0.00 O ATOM 363 CB MET A 22 0.309 11.437 2.643 1.00 0.00 C ATOM 364 CG MET A 22 0.308 10.005 2.131 1.00 0.00 C ATOM 365 SD MET A 22 1.558 9.722 0.862 1.00 0.00 S ATOM 366 CE MET A 22 2.949 9.207 1.864 1.00 0.00 C ATOM 0 H MET A 22 0.169 11.873 -0.064 1.00 0.00 H new ATOM 0 HA MET A 22 -1.557 12.442 2.271 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.333 11.810 2.646 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.035 11.442 3.677 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.481 9.325 2.965 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.676 9.768 1.726 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.878 9.435 1.341 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.928 9.738 2.816 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.889 8.134 2.046 1.00 0.00 H new ATOM 376 N THR A 23 -0.284 14.551 2.868 1.00 0.00 N ATOM 377 CA THR A 23 0.236 15.905 3.007 1.00 0.00 C ATOM 378 C THR A 23 0.826 16.111 4.397 1.00 0.00 C ATOM 379 O THR A 23 0.274 16.848 5.215 1.00 0.00 O ATOM 380 CB THR A 23 -0.867 16.932 2.744 1.00 0.00 C ATOM 381 OG1 THR A 23 -0.418 18.239 3.057 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.126 16.674 3.541 1.00 0.00 C ATOM 0 H THR A 23 -0.909 14.259 3.620 1.00 0.00 H new ATOM 0 HA THR A 23 1.026 16.045 2.269 1.00 0.00 H new ATOM 0 HB THR A 23 -1.104 16.839 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.256 18.307 4.021 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.867 17.438 3.308 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.524 15.692 3.285 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.895 16.706 4.606 1.00 0.00 H new ATOM 390 N THR A 24 1.949 15.454 4.656 1.00 0.00 N ATOM 391 CA THR A 24 2.616 15.561 5.949 1.00 0.00 C ATOM 392 C THR A 24 4.132 15.509 5.790 1.00 0.00 C ATOM 393 O THR A 24 4.644 15.008 4.788 1.00 0.00 O ATOM 394 CB THR A 24 2.150 14.444 6.881 1.00 0.00 C ATOM 395 OG1 THR A 24 0.886 13.948 6.477 1.00 0.00 O ATOM 396 CG2 THR A 24 2.033 14.880 8.326 1.00 0.00 C ATOM 0 H THR A 24 2.418 14.841 3.989 1.00 0.00 H new ATOM 0 HA THR A 24 2.350 16.524 6.386 1.00 0.00 H new ATOM 0 HB THR A 24 2.917 13.672 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.185 14.342 7.037 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.698 14.039 8.934 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.005 15.221 8.683 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.312 15.694 8.403 1.00 0.00 H new ATOM 404 N LYS A 25 4.843 16.029 6.784 1.00 0.00 N ATOM 405 CA LYS A 25 6.302 16.042 6.759 1.00 0.00 C ATOM 406 C LYS A 25 6.882 14.910 7.603 1.00 0.00 C ATOM 407 O LYS A 25 8.099 14.727 7.656 1.00 0.00 O ATOM 408 CB LYS A 25 6.828 17.388 7.260 1.00 0.00 C ATOM 409 CG LYS A 25 6.146 17.873 8.530 1.00 0.00 C ATOM 410 CD LYS A 25 5.041 18.870 8.224 1.00 0.00 C ATOM 411 CE LYS A 25 4.842 19.851 9.368 1.00 0.00 C ATOM 412 NZ LYS A 25 4.045 19.257 10.476 1.00 0.00 N ATOM 0 H LYS A 25 4.433 16.448 7.619 1.00 0.00 H new ATOM 0 HA LYS A 25 6.619 15.893 5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.900 17.305 7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.694 18.135 6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.730 17.021 9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.883 18.336 9.186 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.285 19.417 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.110 18.336 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.813 20.167 9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.339 20.744 8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.932 19.957 11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.109 18.978 10.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.537 18.419 10.847 1.00 0.00 H new ATOM 426 N ASP A 26 6.013 14.149 8.263 1.00 0.00 N ATOM 427 CA ASP A 26 6.450 13.039 9.099 1.00 0.00 C ATOM 428 C ASP A 26 6.070 11.702 8.469 1.00 0.00 C ATOM 429 O ASP A 26 5.724 10.750 9.168 1.00 0.00 O ATOM 430 CB ASP A 26 5.833 13.151 10.494 1.00 0.00 C ATOM 431 CG ASP A 26 6.638 12.414 11.545 1.00 0.00 C ATOM 432 OD1 ASP A 26 7.635 12.982 12.037 1.00 0.00 O ATOM 433 OD2 ASP A 26 6.271 11.267 11.878 1.00 0.00 O ATOM 0 H ASP A 26 5.002 14.282 8.234 1.00 0.00 H new ATOM 0 HA ASP A 26 7.536 13.086 9.184 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.757 14.203 10.771 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.819 12.753 10.472 1.00 0.00 H new ATOM 438 N THR A 27 6.138 11.641 7.142 1.00 0.00 N ATOM 439 CA THR A 27 5.801 10.423 6.415 1.00 0.00 C ATOM 440 C THR A 27 6.932 9.396 6.489 1.00 0.00 C ATOM 441 O THR A 27 6.789 8.273 6.008 1.00 0.00 O ATOM 442 CB THR A 27 5.492 10.748 4.952 1.00 0.00 C ATOM 443 OG1 THR A 27 6.608 11.356 4.327 1.00 0.00 O ATOM 444 CG2 THR A 27 4.309 11.677 4.783 1.00 0.00 C ATOM 0 H THR A 27 6.423 12.421 6.549 1.00 0.00 H new ATOM 0 HA THR A 27 4.918 9.991 6.885 1.00 0.00 H new ATOM 0 HB THR A 27 5.252 9.791 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.391 11.555 3.392 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.144 11.867 3.722 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.420 11.215 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.510 12.619 5.293 1.00 0.00 H new ATOM 452 N SER A 28 8.056 9.785 7.092 1.00 0.00 N ATOM 453 CA SER A 28 9.202 8.890 7.220 1.00 0.00 C ATOM 454 C SER A 28 8.793 7.551 7.829 1.00 0.00 C ATOM 455 O SER A 28 9.437 6.529 7.593 1.00 0.00 O ATOM 456 CB SER A 28 10.289 9.541 8.079 1.00 0.00 C ATOM 457 OG SER A 28 9.734 10.144 9.234 1.00 0.00 O ATOM 0 H SER A 28 8.195 10.711 7.497 1.00 0.00 H new ATOM 0 HA SER A 28 9.595 8.705 6.220 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.022 8.790 8.374 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.819 10.291 7.493 1.00 0.00 H new ATOM 0 HG SER A 28 10.449 10.551 9.766 1.00 0.00 H new ATOM 463 N THR A 29 7.714 7.561 8.606 1.00 0.00 N ATOM 464 CA THR A 29 7.219 6.346 9.238 1.00 0.00 C ATOM 465 C THR A 29 6.372 5.541 8.258 1.00 0.00 C ATOM 466 O THR A 29 6.376 4.311 8.279 1.00 0.00 O ATOM 467 CB THR A 29 6.398 6.688 10.482 1.00 0.00 C ATOM 468 OG1 THR A 29 5.823 5.521 11.039 1.00 0.00 O ATOM 469 CG2 THR A 29 5.276 7.667 10.207 1.00 0.00 C ATOM 0 H THR A 29 7.167 8.397 8.812 1.00 0.00 H new ATOM 0 HA THR A 29 8.076 5.742 9.538 1.00 0.00 H new ATOM 0 HB THR A 29 7.101 7.151 11.175 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.303 5.760 11.835 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.733 7.867 11.131 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.692 8.598 9.822 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.594 7.242 9.470 1.00 0.00 H new ATOM 477 N LEU A 30 5.649 6.249 7.396 1.00 0.00 N ATOM 478 CA LEU A 30 4.797 5.610 6.403 1.00 0.00 C ATOM 479 C LEU A 30 5.616 5.133 5.208 1.00 0.00 C ATOM 480 O LEU A 30 5.350 4.072 4.645 1.00 0.00 O ATOM 481 CB LEU A 30 3.708 6.578 5.937 1.00 0.00 C ATOM 482 CG LEU A 30 2.649 5.968 5.016 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.037 4.729 5.652 1.00 0.00 C ATOM 484 CD2 LEU A 30 1.571 6.992 4.695 1.00 0.00 C ATOM 0 H LEU A 30 5.637 7.269 7.366 1.00 0.00 H new ATOM 0 HA LEU A 30 4.328 4.742 6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.210 6.990 6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.182 7.411 5.418 1.00 0.00 H new ATOM 0 HG LEU A 30 3.131 5.672 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.286 4.309 4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.817 3.989 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.568 4.999 6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.826 6.542 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.092 7.318 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.021 7.851 4.197 1.00 0.00 H new ATOM 496 N LYS A 31 6.613 5.923 4.825 1.00 0.00 N ATOM 497 CA LYS A 31 7.470 5.577 3.695 1.00 0.00 C ATOM 498 C LYS A 31 8.228 4.280 3.965 1.00 0.00 C ATOM 499 O LYS A 31 8.557 3.538 3.040 1.00 0.00 O ATOM 500 CB LYS A 31 8.454 6.713 3.398 1.00 0.00 C ATOM 501 CG LYS A 31 9.551 6.866 4.438 1.00 0.00 C ATOM 502 CD LYS A 31 10.762 6.010 4.103 1.00 0.00 C ATOM 503 CE LYS A 31 11.868 6.834 3.467 1.00 0.00 C ATOM 504 NZ LYS A 31 11.427 7.471 2.195 1.00 0.00 N ATOM 0 H LYS A 31 6.848 6.806 5.279 1.00 0.00 H new ATOM 0 HA LYS A 31 6.834 5.429 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.912 6.538 2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.901 7.650 3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.850 7.912 4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.166 6.585 5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.136 5.536 5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.467 5.210 3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.193 7.605 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.730 6.196 3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.234 7.954 1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.062 6.742 1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.677 8.163 2.395 1.00 0.00 H new ATOM 518 N GLU A 32 8.496 4.011 5.238 1.00 0.00 N ATOM 519 CA GLU A 32 9.213 2.803 5.629 1.00 0.00 C ATOM 520 C GLU A 32 8.259 1.619 5.740 1.00 0.00 C ATOM 521 O GLU A 32 8.641 0.475 5.496 1.00 0.00 O ATOM 522 CB GLU A 32 9.934 3.018 6.962 1.00 0.00 C ATOM 523 CG GLU A 32 8.995 3.298 8.124 1.00 0.00 C ATOM 524 CD GLU A 32 9.640 3.031 9.470 1.00 0.00 C ATOM 525 OE1 GLU A 32 10.414 2.057 9.575 1.00 0.00 O ATOM 526 OE2 GLU A 32 9.372 3.799 10.419 1.00 0.00 O ATOM 0 H GLU A 32 8.228 4.613 6.016 1.00 0.00 H new ATOM 0 HA GLU A 32 9.951 2.583 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.528 2.133 7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.629 3.851 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.669 4.337 8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.103 2.680 8.023 1.00 0.00 H new ATOM 533 N LEU A 33 7.016 1.904 6.109 1.00 0.00 N ATOM 534 CA LEU A 33 6.003 0.863 6.250 1.00 0.00 C ATOM 535 C LEU A 33 5.568 0.334 4.887 1.00 0.00 C ATOM 536 O LEU A 33 5.174 -0.823 4.757 1.00 0.00 O ATOM 537 CB LEU A 33 4.790 1.404 7.010 1.00 0.00 C ATOM 538 CG LEU A 33 4.915 1.375 8.536 1.00 0.00 C ATOM 539 CD1 LEU A 33 4.337 2.644 9.144 1.00 0.00 C ATOM 540 CD2 LEU A 33 4.222 0.147 9.103 1.00 0.00 C ATOM 0 H LEU A 33 6.685 2.846 6.316 1.00 0.00 H new ATOM 0 HA LEU A 33 6.442 0.040 6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.612 2.432 6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.912 0.826 6.722 1.00 0.00 H new ATOM 0 HG LEU A 33 5.973 1.323 8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.435 2.605 10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.878 3.510 8.762 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.283 2.728 8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.321 0.142 10.189 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.166 0.169 8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.682 -0.752 8.693 1.00 0.00 H new ATOM 552 N LEU A 34 5.645 1.191 3.872 1.00 0.00 N ATOM 553 CA LEU A 34 5.260 0.810 2.519 1.00 0.00 C ATOM 554 C LEU A 34 6.450 0.244 1.751 1.00 0.00 C ATOM 555 O LEU A 34 6.294 -0.634 0.902 1.00 0.00 O ATOM 556 CB LEU A 34 4.685 2.017 1.773 1.00 0.00 C ATOM 557 CG LEU A 34 3.594 2.782 2.523 1.00 0.00 C ATOM 558 CD1 LEU A 34 3.499 4.212 2.014 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.255 2.074 2.382 1.00 0.00 C ATOM 0 H LEU A 34 5.971 2.153 3.962 1.00 0.00 H new ATOM 0 HA LEU A 34 4.497 0.035 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.499 2.705 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.279 1.676 0.820 1.00 0.00 H new ATOM 0 HG LEU A 34 3.858 2.811 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.717 4.741 2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.453 4.717 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.258 4.205 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.490 2.632 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.984 2.014 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.330 1.068 2.795 1.00 0.00 H new ATOM 571 N GLU A 35 7.640 0.753 2.055 1.00 0.00 N ATOM 572 CA GLU A 35 8.857 0.300 1.394 1.00 0.00 C ATOM 573 C GLU A 35 9.297 -1.064 1.919 1.00 0.00 C ATOM 574 O GLU A 35 9.990 -1.811 1.228 1.00 0.00 O ATOM 575 CB GLU A 35 9.979 1.320 1.594 1.00 0.00 C ATOM 576 CG GLU A 35 9.857 2.541 0.696 1.00 0.00 C ATOM 577 CD GLU A 35 10.908 2.570 -0.397 1.00 0.00 C ATOM 578 OE1 GLU A 35 10.837 1.720 -1.311 1.00 0.00 O ATOM 579 OE2 GLU A 35 11.801 3.441 -0.339 1.00 0.00 O ATOM 0 H GLU A 35 7.786 1.480 2.755 1.00 0.00 H new ATOM 0 HA GLU A 35 8.643 0.204 0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.984 1.644 2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.937 0.835 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.866 2.556 0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.944 3.443 1.302 1.00 0.00 H new ATOM 586 N THR A 36 8.892 -1.385 3.146 1.00 0.00 N ATOM 587 CA THR A 36 9.248 -2.660 3.760 1.00 0.00 C ATOM 588 C THR A 36 8.793 -3.831 2.894 1.00 0.00 C ATOM 589 O THR A 36 9.472 -4.855 2.812 1.00 0.00 O ATOM 590 CB THR A 36 8.625 -2.769 5.152 1.00 0.00 C ATOM 591 OG1 THR A 36 9.044 -3.959 5.797 1.00 0.00 O ATOM 592 CG2 THR A 36 7.111 -2.767 5.134 1.00 0.00 C ATOM 0 H THR A 36 8.318 -0.780 3.733 1.00 0.00 H new ATOM 0 HA THR A 36 10.334 -2.700 3.849 1.00 0.00 H new ATOM 0 HB THR A 36 8.967 -1.885 5.690 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.636 -4.010 6.687 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.735 -2.847 6.154 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.754 -1.839 4.687 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.753 -3.613 4.548 1.00 0.00 H new ATOM 600 N TYR A 37 7.641 -3.674 2.249 1.00 0.00 N ATOM 601 CA TYR A 37 7.096 -4.719 1.389 1.00 0.00 C ATOM 602 C TYR A 37 6.868 -6.008 2.175 1.00 0.00 C ATOM 603 O TYR A 37 7.257 -7.092 1.740 1.00 0.00 O ATOM 604 CB TYR A 37 8.038 -4.979 0.210 1.00 0.00 C ATOM 605 CG TYR A 37 7.705 -4.169 -1.022 1.00 0.00 C ATOM 606 CD1 TYR A 37 7.888 -2.791 -1.040 1.00 0.00 C ATOM 607 CD2 TYR A 37 7.206 -4.779 -2.165 1.00 0.00 C ATOM 608 CE1 TYR A 37 7.584 -2.047 -2.163 1.00 0.00 C ATOM 609 CE2 TYR A 37 6.901 -4.041 -3.293 1.00 0.00 C ATOM 610 CZ TYR A 37 7.091 -2.675 -3.287 1.00 0.00 C ATOM 611 OH TYR A 37 6.789 -1.936 -4.408 1.00 0.00 O ATOM 0 H TYR A 37 7.067 -2.833 2.306 1.00 0.00 H new ATOM 0 HA TYR A 37 6.134 -4.378 1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.060 -4.755 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 37 8.006 -6.039 -0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.274 -2.295 -0.162 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.054 -5.848 -2.173 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.732 -0.977 -2.161 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.516 -4.532 -4.175 1.00 0.00 H new ATOM 0 HH TYR A 37 6.454 -2.531 -5.111 1.00 0.00 H new ATOM 621 N GLN A 38 6.234 -5.882 3.337 1.00 0.00 N ATOM 622 CA GLN A 38 5.953 -7.036 4.185 1.00 0.00 C ATOM 623 C GLN A 38 5.083 -8.051 3.449 1.00 0.00 C ATOM 624 O GLN A 38 5.490 -9.193 3.237 1.00 0.00 O ATOM 625 CB GLN A 38 5.260 -6.591 5.475 1.00 0.00 C ATOM 626 CG GLN A 38 6.222 -6.307 6.615 1.00 0.00 C ATOM 627 CD GLN A 38 5.510 -5.905 7.893 1.00 0.00 C ATOM 628 OE1 GLN A 38 5.327 -4.720 8.169 1.00 0.00 O ATOM 629 NE2 GLN A 38 5.105 -6.895 8.680 1.00 0.00 N ATOM 0 H GLN A 38 5.905 -4.993 3.713 1.00 0.00 H new ATOM 0 HA GLN A 38 6.901 -7.511 4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.675 -5.694 5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.559 -7.365 5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.827 -7.194 6.804 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.906 -5.512 6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.278 -7.864 8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.621 -6.687 9.553 1.00 0.00 H new ATOM 638 N ARG A 39 3.887 -7.624 3.060 1.00 0.00 N ATOM 639 CA ARG A 39 2.960 -8.496 2.342 1.00 0.00 C ATOM 640 C ARG A 39 3.120 -8.328 0.832 1.00 0.00 C ATOM 641 O ARG A 39 3.731 -7.365 0.368 1.00 0.00 O ATOM 642 CB ARG A 39 1.504 -8.223 2.751 1.00 0.00 C ATOM 643 CG ARG A 39 1.255 -6.835 3.325 1.00 0.00 C ATOM 644 CD ARG A 39 -0.203 -6.429 3.186 1.00 0.00 C ATOM 645 NE ARG A 39 -0.360 -4.982 3.052 1.00 0.00 N ATOM 646 CZ ARG A 39 -1.528 -4.379 2.840 1.00 0.00 C ATOM 647 NH1 ARG A 39 -2.643 -5.094 2.739 1.00 0.00 N ATOM 648 NH2 ARG A 39 -1.582 -3.059 2.728 1.00 0.00 N ATOM 0 H ARG A 39 3.535 -6.681 3.229 1.00 0.00 H new ATOM 0 HA ARG A 39 3.202 -9.524 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.864 -8.361 1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.203 -8.966 3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.540 -6.819 4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.886 -6.109 2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.635 -6.922 2.315 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.760 -6.775 4.057 1.00 0.00 H new ATOM 0 HE ARG A 39 0.474 -4.400 3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.607 -6.110 2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.535 -4.627 2.577 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.729 -2.505 2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.477 -2.597 2.566 1.00 0.00 H new ATOM 662 N PRO A 40 2.574 -9.269 0.042 1.00 0.00 N ATOM 663 CA PRO A 40 2.663 -9.223 -1.422 1.00 0.00 C ATOM 664 C PRO A 40 1.895 -8.048 -2.019 1.00 0.00 C ATOM 665 O PRO A 40 0.780 -8.209 -2.516 1.00 0.00 O ATOM 666 CB PRO A 40 2.041 -10.550 -1.865 1.00 0.00 C ATOM 667 CG PRO A 40 1.161 -10.956 -0.733 1.00 0.00 C ATOM 668 CD PRO A 40 1.835 -10.456 0.512 1.00 0.00 C ATOM 0 HA PRO A 40 3.691 -9.088 -1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.471 -10.431 -2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.807 -11.301 -2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.165 -10.525 -0.838 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.038 -12.039 -0.703 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.112 -10.200 1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.504 -11.205 0.936 1.00 0.00 H new ATOM 676 N PHE A 41 2.501 -6.864 -1.971 1.00 0.00 N ATOM 677 CA PHE A 41 1.879 -5.661 -2.512 1.00 0.00 C ATOM 678 C PHE A 41 2.910 -4.794 -3.228 1.00 0.00 C ATOM 679 O PHE A 41 4.114 -5.026 -3.119 1.00 0.00 O ATOM 680 CB PHE A 41 1.206 -4.859 -1.394 1.00 0.00 C ATOM 681 CG PHE A 41 2.176 -4.244 -0.426 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.710 -2.987 -0.661 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.553 -4.923 0.720 1.00 0.00 C ATOM 684 CE1 PHE A 41 3.604 -2.420 0.228 1.00 0.00 C ATOM 685 CE2 PHE A 41 3.446 -4.362 1.614 1.00 0.00 C ATOM 686 CZ PHE A 41 3.972 -3.109 1.367 1.00 0.00 C ATOM 0 H PHE A 41 3.423 -6.713 -1.562 1.00 0.00 H new ATOM 0 HA PHE A 41 1.121 -5.966 -3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.600 -4.070 -1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.526 -5.513 -0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.424 -2.444 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.145 -5.903 0.918 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.014 -1.440 0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.732 -4.903 2.504 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.670 -2.669 2.064 1.00 0.00 H new ATOM 696 N LYS A 42 2.430 -3.792 -3.957 1.00 0.00 N ATOM 697 CA LYS A 42 3.312 -2.890 -4.688 1.00 0.00 C ATOM 698 C LYS A 42 2.810 -1.452 -4.597 1.00 0.00 C ATOM 699 O LYS A 42 1.677 -1.205 -4.185 1.00 0.00 O ATOM 700 CB LYS A 42 3.415 -3.317 -6.153 1.00 0.00 C ATOM 701 CG LYS A 42 3.614 -4.812 -6.337 1.00 0.00 C ATOM 702 CD LYS A 42 3.972 -5.153 -7.775 1.00 0.00 C ATOM 703 CE LYS A 42 5.468 -5.038 -8.018 1.00 0.00 C ATOM 704 NZ LYS A 42 6.230 -6.108 -7.316 1.00 0.00 N ATOM 0 H LYS A 42 1.436 -3.584 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 42 4.302 -2.941 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.509 -3.012 -6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.246 -2.788 -6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.404 -5.160 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.703 -5.339 -6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.642 -6.167 -8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.440 -4.485 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.667 -5.094 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.817 -4.062 -7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.160 -6.224 -7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.359 -5.845 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.704 -7.003 -7.372 1.00 0.00 H new ATOM 718 N LEU A 43 3.659 -0.506 -4.985 1.00 0.00 N ATOM 719 CA LEU A 43 3.298 0.906 -4.945 1.00 0.00 C ATOM 720 C LEU A 43 3.826 1.640 -6.173 1.00 0.00 C ATOM 721 O LEU A 43 5.003 1.526 -6.517 1.00 0.00 O ATOM 722 CB LEU A 43 3.843 1.560 -3.675 1.00 0.00 C ATOM 723 CG LEU A 43 2.923 1.469 -2.455 1.00 0.00 C ATOM 724 CD1 LEU A 43 3.362 0.340 -1.537 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.900 2.792 -1.701 1.00 0.00 C ATOM 0 H LEU A 43 4.601 -0.691 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 43 2.210 0.974 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.798 1.097 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.043 2.611 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 43 1.913 1.255 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.696 0.291 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.324 -0.605 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.381 0.523 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.241 2.707 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.908 3.037 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.535 3.580 -2.360 1.00 0.00 H new ATOM 737 N GLU A 44 2.952 2.398 -6.827 1.00 0.00 N ATOM 738 CA GLU A 44 3.336 3.154 -8.011 1.00 0.00 C ATOM 739 C GLU A 44 3.631 4.606 -7.647 1.00 0.00 C ATOM 740 O GLU A 44 2.726 5.437 -7.575 1.00 0.00 O ATOM 741 CB GLU A 44 2.237 3.094 -9.075 1.00 0.00 C ATOM 742 CG GLU A 44 1.559 1.736 -9.176 1.00 0.00 C ATOM 743 CD GLU A 44 1.414 1.262 -10.610 1.00 0.00 C ATOM 744 OE1 GLU A 44 1.448 2.113 -11.522 1.00 0.00 O ATOM 745 OE2 GLU A 44 1.264 0.040 -10.819 1.00 0.00 O ATOM 0 H GLU A 44 1.974 2.504 -6.557 1.00 0.00 H new ATOM 0 HA GLU A 44 4.240 2.703 -8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.485 3.850 -8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.667 3.349 -10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.136 1.003 -8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.573 1.791 -8.714 1.00 0.00 H new ATOM 752 N PHE A 45 4.905 4.899 -7.415 1.00 0.00 N ATOM 753 CA PHE A 45 5.332 6.244 -7.049 1.00 0.00 C ATOM 754 C PHE A 45 4.962 7.245 -8.139 1.00 0.00 C ATOM 755 O PHE A 45 5.473 7.180 -9.257 1.00 0.00 O ATOM 756 CB PHE A 45 6.844 6.274 -6.814 1.00 0.00 C ATOM 757 CG PHE A 45 7.284 5.655 -5.512 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.474 4.752 -4.838 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.515 5.979 -4.966 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.886 4.186 -3.646 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.933 5.415 -3.775 1.00 0.00 C ATOM 762 CZ PHE A 45 8.116 4.519 -3.114 1.00 0.00 C ATOM 0 H PHE A 45 5.664 4.220 -7.474 1.00 0.00 H new ATOM 0 HA PHE A 45 4.819 6.524 -6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.337 5.754 -7.635 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.184 7.309 -6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.511 4.488 -5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.157 6.681 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.247 3.484 -3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.897 5.675 -3.362 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.439 4.079 -2.182 1.00 0.00 H new ATOM 772 N LYS A 46 4.073 8.176 -7.805 1.00 0.00 N ATOM 773 CA LYS A 46 3.637 9.193 -8.754 1.00 0.00 C ATOM 774 C LYS A 46 4.694 10.283 -8.902 1.00 0.00 C ATOM 775 O LYS A 46 4.893 10.825 -9.989 1.00 0.00 O ATOM 776 CB LYS A 46 2.312 9.808 -8.300 1.00 0.00 C ATOM 777 CG LYS A 46 1.115 8.893 -8.505 1.00 0.00 C ATOM 778 CD LYS A 46 0.740 8.786 -9.975 1.00 0.00 C ATOM 779 CE LYS A 46 -0.763 8.903 -10.181 1.00 0.00 C ATOM 780 NZ LYS A 46 -1.351 7.641 -10.710 1.00 0.00 N ATOM 0 H LYS A 46 3.641 8.246 -6.884 1.00 0.00 H new ATOM 0 HA LYS A 46 3.494 8.716 -9.723 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.384 10.067 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.146 10.737 -8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.342 7.902 -8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.265 9.272 -7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.247 9.570 -10.538 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.089 7.832 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.240 9.157 -9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.972 9.719 -10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.348 7.574 -10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.292 7.639 -11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.825 6.828 -10.332 1.00 0.00 H new ATOM 901 N PHE A 54 2.280 17.786 -1.715 1.00 0.00 N ATOM 902 CA PHE A 54 1.447 16.596 -1.583 1.00 0.00 C ATOM 903 C PHE A 54 2.192 15.356 -2.054 1.00 0.00 C ATOM 904 O PHE A 54 2.628 15.280 -3.202 1.00 0.00 O ATOM 905 CB PHE A 54 0.151 16.761 -2.381 1.00 0.00 C ATOM 906 CG PHE A 54 -0.521 18.087 -2.167 1.00 0.00 C ATOM 907 CD1 PHE A 54 -0.964 18.459 -0.908 1.00 0.00 C ATOM 908 CD2 PHE A 54 -0.708 18.962 -3.226 1.00 0.00 C ATOM 909 CE1 PHE A 54 -1.583 19.679 -0.709 1.00 0.00 C ATOM 910 CE2 PHE A 54 -1.327 20.183 -3.033 1.00 0.00 C ATOM 911 CZ PHE A 54 -1.765 20.542 -1.773 1.00 0.00 C ATOM 0 HA PHE A 54 1.202 16.472 -0.528 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.369 16.641 -3.442 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.540 15.964 -2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.824 17.789 -0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.366 18.687 -4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.924 19.957 0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.468 20.855 -3.866 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.249 21.495 -1.620 1.00 0.00 H new ATOM 921 N TYR A 55 2.335 14.384 -1.159 1.00 0.00 N ATOM 922 CA TYR A 55 3.027 13.148 -1.489 1.00 0.00 C ATOM 923 C TYR A 55 2.055 12.133 -2.071 1.00 0.00 C ATOM 924 O TYR A 55 1.203 11.592 -1.365 1.00 0.00 O ATOM 925 CB TYR A 55 3.705 12.569 -0.245 1.00 0.00 C ATOM 926 CG TYR A 55 4.970 13.295 0.152 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.922 14.424 0.962 1.00 0.00 C ATOM 928 CD2 TYR A 55 6.214 12.852 -0.282 1.00 0.00 C ATOM 929 CE1 TYR A 55 6.076 15.089 1.327 1.00 0.00 C ATOM 930 CE2 TYR A 55 7.372 13.512 0.082 1.00 0.00 C ATOM 931 CZ TYR A 55 7.298 14.629 0.885 1.00 0.00 C ATOM 932 OH TYR A 55 8.450 15.289 1.249 1.00 0.00 O ATOM 0 H TYR A 55 1.981 14.430 -0.203 1.00 0.00 H new ATOM 0 HA TYR A 55 3.790 13.370 -2.235 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.003 12.600 0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.940 11.520 -0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.967 14.787 1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.276 11.978 -0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.021 15.965 1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.331 13.154 -0.262 1.00 0.00 H new ATOM 0 HH TYR A 55 9.225 14.836 0.855 1.00 0.00 H new ATOM 942 N SER A 56 2.186 11.882 -3.366 1.00 0.00 N ATOM 943 CA SER A 56 1.318 10.932 -4.052 1.00 0.00 C ATOM 944 C SER A 56 1.991 9.570 -4.191 1.00 0.00 C ATOM 945 O SER A 56 3.137 9.475 -4.629 1.00 0.00 O ATOM 946 CB SER A 56 0.928 11.465 -5.432 1.00 0.00 C ATOM 947 OG SER A 56 0.193 12.672 -5.325 1.00 0.00 O ATOM 0 H SER A 56 2.885 12.323 -3.964 1.00 0.00 H new ATOM 0 HA SER A 56 0.418 10.809 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.826 11.634 -6.027 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.333 10.719 -5.958 1.00 0.00 H new ATOM 0 HG SER A 56 -0.042 12.992 -6.221 1.00 0.00 H new ATOM 953 N PHE A 57 1.266 8.519 -3.820 1.00 0.00 N ATOM 954 CA PHE A 57 1.787 7.160 -3.907 1.00 0.00 C ATOM 955 C PHE A 57 0.661 6.167 -4.173 1.00 0.00 C ATOM 956 O PHE A 57 -0.364 6.184 -3.491 1.00 0.00 O ATOM 957 CB PHE A 57 2.519 6.788 -2.616 1.00 0.00 C ATOM 958 CG PHE A 57 3.849 7.467 -2.464 1.00 0.00 C ATOM 959 CD1 PHE A 57 3.926 8.777 -2.020 1.00 0.00 C ATOM 960 CD2 PHE A 57 5.022 6.795 -2.766 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.149 9.406 -1.879 1.00 0.00 C ATOM 962 CE2 PHE A 57 6.248 7.418 -2.628 1.00 0.00 C ATOM 963 CZ PHE A 57 6.311 8.725 -2.184 1.00 0.00 C ATOM 0 H PHE A 57 0.315 8.583 -3.456 1.00 0.00 H new ATOM 0 HA PHE A 57 2.491 7.117 -4.738 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.890 7.045 -1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.666 5.708 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.020 9.313 -1.781 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.978 5.773 -3.113 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.196 10.427 -1.531 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.156 6.884 -2.867 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.268 9.213 -2.076 1.00 0.00 H new ATOM 973 N ASN A 58 0.854 5.305 -5.167 1.00 0.00 N ATOM 974 CA ASN A 58 -0.156 4.311 -5.514 1.00 0.00 C ATOM 975 C ASN A 58 0.079 3.010 -4.756 1.00 0.00 C ATOM 976 O ASN A 58 1.151 2.796 -4.190 1.00 0.00 O ATOM 977 CB ASN A 58 -0.151 4.050 -7.022 1.00 0.00 C ATOM 978 CG ASN A 58 -1.551 4.022 -7.608 1.00 0.00 C ATOM 979 OD1 ASN A 58 -2.450 3.380 -7.066 1.00 0.00 O ATOM 980 ND2 ASN A 58 -1.738 4.718 -8.722 1.00 0.00 N ATOM 0 H ASN A 58 1.695 5.274 -5.743 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.131 4.705 -5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.433 4.824 -7.520 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.343 3.099 -7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.657 4.735 -9.164 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.963 5.236 -9.136 1.00 0.00 H new ATOM 987 N VAL A 59 -0.931 2.145 -4.744 1.00 0.00 N ATOM 988 CA VAL A 59 -0.832 0.867 -4.050 1.00 0.00 C ATOM 989 C VAL A 59 -1.471 -0.257 -4.859 1.00 0.00 C ATOM 990 O VAL A 59 -2.688 -0.294 -5.036 1.00 0.00 O ATOM 991 CB VAL A 59 -1.505 0.928 -2.664 1.00 0.00 C ATOM 992 CG1 VAL A 59 -1.128 -0.289 -1.833 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.130 2.213 -1.942 1.00 0.00 C ATOM 0 H VAL A 59 -1.826 2.306 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 59 0.231 0.661 -3.926 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.586 0.922 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.612 -0.228 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.455 -1.194 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.047 -0.318 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.615 2.237 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.049 2.254 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.457 3.070 -2.531 1.00 0.00 H new ATOM 1003 N SER A 60 -0.640 -1.172 -5.346 1.00 0.00 N ATOM 1004 CA SER A 60 -1.122 -2.302 -6.133 1.00 0.00 C ATOM 1005 C SER A 60 -1.105 -3.583 -5.306 1.00 0.00 C ATOM 1006 O SER A 60 -0.046 -4.159 -5.060 1.00 0.00 O ATOM 1007 CB SER A 60 -0.267 -2.479 -7.389 1.00 0.00 C ATOM 1008 OG SER A 60 0.390 -1.271 -7.732 1.00 0.00 O ATOM 0 H SER A 60 0.371 -1.154 -5.210 1.00 0.00 H new ATOM 0 HA SER A 60 -2.150 -2.095 -6.431 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.471 -3.264 -7.223 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.896 -2.803 -8.218 1.00 0.00 H new ATOM 0 HG SER A 60 -0.212 -0.712 -8.267 1.00 0.00 H new ATOM 1014 N MET A 61 -2.283 -4.023 -4.877 1.00 0.00 N ATOM 1015 CA MET A 61 -2.403 -5.235 -4.075 1.00 0.00 C ATOM 1016 C MET A 61 -3.354 -6.231 -4.732 1.00 0.00 C ATOM 1017 O MET A 61 -4.251 -5.845 -5.480 1.00 0.00 O ATOM 1018 CB MET A 61 -2.896 -4.889 -2.667 1.00 0.00 C ATOM 1019 CG MET A 61 -3.139 -6.106 -1.787 1.00 0.00 C ATOM 1020 SD MET A 61 -1.618 -6.984 -1.379 1.00 0.00 S ATOM 1021 CE MET A 61 -2.236 -8.213 -0.232 1.00 0.00 C ATOM 0 H MET A 61 -3.170 -3.558 -5.072 1.00 0.00 H new ATOM 0 HA MET A 61 -1.418 -5.696 -4.005 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.163 -4.243 -2.184 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.821 -4.318 -2.746 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.630 -5.791 -0.866 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.821 -6.787 -2.296 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.411 -8.837 0.112 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.695 -7.715 0.622 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.979 -8.836 -0.731 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.150 -7.511 -4.444 1.00 0.00 N ATOM 1032 CA GLU A 62 -3.992 -8.562 -5.007 1.00 0.00 C ATOM 1033 C GLU A 62 -5.348 -8.603 -4.310 1.00 0.00 C ATOM 1034 O GLU A 62 -5.479 -9.156 -3.218 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.300 -9.921 -4.881 1.00 0.00 C ATOM 1036 CG GLU A 62 -3.833 -10.965 -5.848 1.00 0.00 C ATOM 1037 CD GLU A 62 -3.196 -10.869 -7.221 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -2.043 -11.326 -7.375 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -3.849 -10.334 -8.142 1.00 0.00 O ATOM 0 H GLU A 62 -2.411 -7.847 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.152 -8.340 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.231 -9.792 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.419 -10.287 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.655 -11.959 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.913 -10.848 -5.944 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.353 -8.012 -4.948 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.698 -7.980 -4.390 1.00 0.00 C ATOM 1048 C VAL A 63 -8.493 -9.215 -4.803 1.00 0.00 C ATOM 1049 O VAL A 63 -8.446 -9.639 -5.958 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.460 -6.717 -4.833 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.834 -6.659 -4.181 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.654 -5.468 -4.507 1.00 0.00 C ATOM 0 H VAL A 63 -6.260 -7.549 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.592 -7.967 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.601 -6.762 -5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.354 -5.759 -4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.411 -7.537 -4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.722 -6.639 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.207 -4.585 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.480 -5.418 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.698 -5.506 -5.028 1.00 0.00 H new ATOM 1062 N SER A 64 -9.221 -9.786 -3.849 1.00 0.00 N ATOM 1063 CA SER A 64 -10.028 -10.975 -4.106 1.00 0.00 C ATOM 1064 C SER A 64 -11.517 -10.664 -3.984 1.00 0.00 C ATOM 1065 O SER A 64 -12.349 -11.307 -4.624 1.00 0.00 O ATOM 1066 CB SER A 64 -9.648 -12.093 -3.133 1.00 0.00 C ATOM 1067 OG SER A 64 -8.466 -12.752 -3.549 1.00 0.00 O ATOM 0 H SER A 64 -9.269 -9.444 -2.889 1.00 0.00 H new ATOM 0 HA SER A 64 -9.828 -11.304 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.504 -11.678 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.464 -12.812 -3.064 1.00 0.00 H new ATOM 0 HG SER A 64 -8.244 -13.461 -2.909 1.00 0.00 H new ATOM 1073 N ASN A 65 -11.849 -9.677 -3.157 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.239 -9.287 -2.950 1.00 0.00 C ATOM 1075 C ASN A 65 -13.331 -7.975 -2.174 1.00 0.00 C ATOM 1076 O ASN A 65 -12.339 -7.261 -2.025 1.00 0.00 O ATOM 1077 CB ASN A 65 -13.993 -10.397 -2.209 1.00 0.00 C ATOM 1078 CG ASN A 65 -13.538 -10.551 -0.769 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -14.298 -10.295 0.164 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -12.293 -10.972 -0.582 1.00 0.00 N ATOM 0 H ASN A 65 -11.174 -9.133 -2.620 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.700 -9.135 -3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.061 -10.180 -2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.850 -11.341 -2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.933 -11.095 0.364 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.697 -11.173 -1.385 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.526 -7.665 -1.680 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.745 -6.440 -0.919 1.00 0.00 C ATOM 1089 C GLU A 66 -14.031 -6.501 0.428 1.00 0.00 C ATOM 1090 O GLU A 66 -13.604 -5.477 0.962 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.241 -6.204 -0.705 1.00 0.00 C ATOM 1092 CG GLU A 66 -16.990 -7.435 -0.221 1.00 0.00 C ATOM 1093 CD GLU A 66 -18.317 -7.093 0.428 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -19.160 -6.460 -0.241 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -18.511 -7.456 1.607 1.00 0.00 O ATOM 0 H GLU A 66 -15.357 -8.245 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.333 -5.610 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.373 -5.401 0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.684 -5.865 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.164 -8.104 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.369 -7.976 0.493 1.00 0.00 H new ATOM 1102 N SER A 67 -13.904 -7.709 0.970 1.00 0.00 N ATOM 1103 CA SER A 67 -13.239 -7.903 2.256 1.00 0.00 C ATOM 1104 C SER A 67 -11.832 -7.315 2.231 1.00 0.00 C ATOM 1105 O SER A 67 -11.455 -6.540 3.112 1.00 0.00 O ATOM 1106 CB SER A 67 -13.178 -9.392 2.600 1.00 0.00 C ATOM 1107 OG SER A 67 -14.472 -9.911 2.852 1.00 0.00 O ATOM 0 H SER A 67 -14.252 -8.566 0.541 1.00 0.00 H new ATOM 0 HA SER A 67 -13.817 -7.385 3.021 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.717 -9.940 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.546 -9.540 3.476 1.00 0.00 H new ATOM 0 HG SER A 67 -14.874 -10.210 2.010 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.061 -7.682 1.213 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.700 -7.183 1.075 1.00 0.00 C ATOM 1115 C GLU A 68 -9.707 -5.692 0.763 1.00 0.00 C ATOM 1116 O GLU A 68 -9.087 -4.901 1.470 1.00 0.00 O ATOM 1117 CB GLU A 68 -8.944 -7.938 -0.025 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.372 -9.388 -0.186 1.00 0.00 C ATOM 1119 CD GLU A 68 -8.198 -10.323 -0.406 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -7.504 -10.174 -1.432 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -7.972 -11.203 0.452 1.00 0.00 O ATOM 0 H GLU A 68 -11.355 -8.321 0.474 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.189 -7.348 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.089 -7.420 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.877 -7.907 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.920 -9.702 0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.059 -9.469 -1.029 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.420 -5.317 -0.297 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.514 -3.917 -0.711 1.00 0.00 C ATOM 1130 C ARG A 69 -10.725 -2.993 0.487 1.00 0.00 C ATOM 1131 O ARG A 69 -10.214 -1.874 0.517 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.658 -3.737 -1.712 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.718 -2.348 -2.325 1.00 0.00 C ATOM 1134 CD ARG A 69 -13.135 -1.978 -2.731 1.00 0.00 C ATOM 1135 NE ARG A 69 -13.273 -0.547 -2.993 1.00 0.00 N ATOM 1136 CZ ARG A 69 -12.891 0.039 -4.126 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -12.348 -0.676 -5.102 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -13.053 1.346 -4.283 1.00 0.00 N ATOM 0 H ARG A 69 -10.943 -5.964 -0.887 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.571 -3.648 -1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.551 -4.472 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.604 -3.945 -1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.341 -1.617 -1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.066 -2.306 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.415 -2.539 -3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.827 -2.270 -1.941 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.686 0.037 -2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.221 -1.682 -4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.058 -0.220 -5.967 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.470 1.902 -3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.761 1.796 -5.151 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.474 -3.472 1.474 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.743 -2.688 2.675 1.00 0.00 C ATOM 1154 C ASN A 70 -10.532 -2.693 3.603 1.00 0.00 C ATOM 1155 O ASN A 70 -10.304 -1.738 4.347 1.00 0.00 O ATOM 1156 CB ASN A 70 -12.968 -3.242 3.407 1.00 0.00 C ATOM 1157 CG ASN A 70 -14.226 -2.447 3.107 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -15.040 -2.845 2.276 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.388 -1.317 3.786 1.00 0.00 N ATOM 0 H ASN A 70 -11.905 -4.397 1.467 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.946 -1.660 2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.121 -4.282 3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.782 -3.232 4.481 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.214 -0.741 3.627 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.686 -1.026 4.466 1.00 0.00 H new ATOM 1166 N GLU A 71 -9.758 -3.772 3.552 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.568 -3.902 4.382 1.00 0.00 C ATOM 1168 C GLU A 71 -7.381 -3.187 3.743 1.00 0.00 C ATOM 1169 O GLU A 71 -6.535 -2.624 4.440 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.233 -5.379 4.596 1.00 0.00 C ATOM 1171 CG GLU A 71 -7.282 -5.625 5.756 1.00 0.00 C ATOM 1172 CD GLU A 71 -6.600 -6.976 5.675 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -6.516 -7.532 4.560 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -6.150 -7.478 6.726 1.00 0.00 O ATOM 0 H GLU A 71 -9.935 -4.571 2.943 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.773 -3.438 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.157 -5.931 4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.791 -5.779 3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.525 -4.841 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.833 -5.556 6.694 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.324 -3.213 2.415 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.238 -2.566 1.685 1.00 0.00 C ATOM 1183 C ILE A 72 -6.338 -1.046 1.786 1.00 0.00 C ATOM 1184 O ILE A 72 -5.331 -0.343 1.716 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.228 -2.965 0.193 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.478 -4.470 0.032 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -4.905 -2.567 -0.449 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.328 -4.970 -1.390 1.00 0.00 C ATOM 0 H ILE A 72 -8.015 -3.674 1.823 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.311 -2.906 2.147 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.033 -2.433 -0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.784 -5.014 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.484 -4.701 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.910 -2.854 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.771 -1.488 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.086 -3.074 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.520 -6.042 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.041 -4.455 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.315 -4.773 -1.740 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.559 -0.547 1.947 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.790 0.891 2.051 1.00 0.00 C ATOM 1202 C PHE A 73 -7.516 1.394 3.466 1.00 0.00 C ATOM 1203 O PHE A 73 -6.857 2.417 3.654 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.227 1.229 1.647 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.338 2.466 0.804 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -8.538 2.631 -0.316 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -10.243 3.464 1.129 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -8.637 3.768 -1.095 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -10.347 4.604 0.355 1.00 0.00 C ATOM 1210 CZ PHE A 73 -9.543 4.756 -0.760 1.00 0.00 C ATOM 0 H PHE A 73 -8.404 -1.116 2.008 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.099 1.390 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.649 0.387 1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.828 1.357 2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.829 1.862 -0.583 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.875 3.349 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.007 3.884 -1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.055 5.375 0.620 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.623 5.645 -1.368 1.00 0.00 H new ATOM 1220 N GLN A 74 -8.029 0.674 4.458 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.840 1.054 5.854 1.00 0.00 C ATOM 1222 C GLN A 74 -6.377 0.918 6.265 1.00 0.00 C ATOM 1223 O GLN A 74 -5.844 1.756 6.991 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.722 0.195 6.763 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.314 -1.268 6.800 1.00 0.00 C ATOM 1226 CD GLN A 74 -9.309 -2.133 7.550 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -9.063 -2.541 8.684 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -10.442 -2.416 6.917 1.00 0.00 N ATOM 0 H GLN A 74 -8.578 -0.175 4.322 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.130 2.099 5.961 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.688 0.599 7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.756 0.267 6.425 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.212 -1.639 5.780 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.335 -1.356 7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.604 -2.056 5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.150 -2.993 7.371 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.734 -0.148 5.799 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.333 -0.397 6.120 1.00 0.00 C ATOM 1239 C LYS A 75 -3.444 0.728 5.599 1.00 0.00 C ATOM 1240 O LYS A 75 -2.623 1.274 6.338 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.884 -1.736 5.531 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.459 -2.941 6.255 1.00 0.00 C ATOM 1243 CD LYS A 75 -3.782 -3.166 7.598 1.00 0.00 C ATOM 1244 CE LYS A 75 -4.766 -3.030 8.751 1.00 0.00 C ATOM 1245 NZ LYS A 75 -4.565 -4.087 9.780 1.00 0.00 N ATOM 0 H LYS A 75 -6.161 -0.853 5.198 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.236 -0.435 7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.177 -1.779 4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.796 -1.790 5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.529 -2.798 6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.340 -3.829 5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.332 -4.159 7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.972 -2.447 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.652 -2.049 9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.785 -3.086 8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.254 -3.959 10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.699 -5.023 9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.601 -4.018 10.165 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.612 1.068 4.326 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.821 2.129 3.711 1.00 0.00 C ATOM 1261 C ILE A 76 -3.092 3.472 4.381 1.00 0.00 C ATOM 1262 O ILE A 76 -2.189 4.297 4.526 1.00 0.00 O ATOM 1263 CB ILE A 76 -3.110 2.243 2.200 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -2.179 3.271 1.553 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.565 2.612 1.960 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.784 2.744 1.298 1.00 0.00 C ATOM 0 H ILE A 76 -4.286 0.626 3.701 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.772 1.866 3.848 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.924 1.273 1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.613 3.599 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.116 4.148 2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.749 2.688 0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.210 1.844 2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.780 3.570 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.178 3.525 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.331 2.442 2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.836 1.885 0.629 1.00 0.00 H new ATOM 1278 N SER A 77 -4.339 3.685 4.786 1.00 0.00 N ATOM 1279 CA SER A 77 -4.727 4.927 5.442 1.00 0.00 C ATOM 1280 C SER A 77 -4.776 4.750 6.958 1.00 0.00 C ATOM 1281 O SER A 77 -5.510 5.452 7.651 1.00 0.00 O ATOM 1282 CB SER A 77 -6.091 5.397 4.929 1.00 0.00 C ATOM 1283 OG SER A 77 -5.945 6.286 3.835 1.00 0.00 O ATOM 0 H SER A 77 -5.098 3.013 4.671 1.00 0.00 H new ATOM 0 HA SER A 77 -3.977 5.682 5.205 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.685 4.535 4.625 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.635 5.892 5.734 1.00 0.00 H new ATOM 0 HG SER A 77 -6.830 6.571 3.524 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.990 3.805 7.464 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.945 3.534 8.896 1.00 0.00 C ATOM 1291 C GLN A 78 -3.357 4.718 9.658 1.00 0.00 C ATOM 1292 O GLN A 78 -3.835 5.075 10.734 1.00 0.00 O ATOM 1293 CB GLN A 78 -3.120 2.275 9.173 1.00 0.00 C ATOM 1294 CG GLN A 78 -3.327 1.709 10.569 1.00 0.00 C ATOM 1295 CD GLN A 78 -2.027 1.290 11.226 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -1.879 0.152 11.670 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -1.074 2.213 11.294 1.00 0.00 N ATOM 0 H GLN A 78 -3.376 3.214 6.903 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.967 3.375 9.241 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.378 1.512 8.438 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.063 2.505 9.036 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.820 2.456 11.191 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.995 0.850 10.513 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.238 3.145 10.913 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.178 1.990 11.727 1.00 0.00 H new ATOM 1306 N LEU A 79 -2.316 5.321 9.093 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.663 6.465 9.721 1.00 0.00 C ATOM 1308 C LEU A 79 -2.545 7.707 9.641 1.00 0.00 C ATOM 1309 O LEU A 79 -3.593 7.697 8.994 1.00 0.00 O ATOM 1310 CB LEU A 79 -0.311 6.733 9.057 1.00 0.00 C ATOM 1311 CG LEU A 79 0.911 6.365 9.905 1.00 0.00 C ATOM 1312 CD1 LEU A 79 1.873 5.493 9.113 1.00 0.00 C ATOM 1313 CD2 LEU A 79 1.615 7.619 10.403 1.00 0.00 C ATOM 0 H LEU A 79 -1.907 5.037 8.203 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.500 6.229 10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.266 6.176 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.252 7.791 8.802 1.00 0.00 H new ATOM 0 HG LEU A 79 0.567 5.797 10.769 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.733 5.244 9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.367 4.577 8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.209 6.033 8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.480 7.337 11.003 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.943 8.215 9.551 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.927 8.205 11.012 1.00 0.00 H new ATOM 1325 N ASP A 80 -2.114 8.776 10.305 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.866 10.027 10.311 1.00 0.00 C ATOM 1327 C ASP A 80 -2.193 11.075 9.430 1.00 0.00 C ATOM 1328 O ASP A 80 -2.298 12.275 9.686 1.00 0.00 O ATOM 1329 CB ASP A 80 -3.003 10.556 11.738 1.00 0.00 C ATOM 1330 CG ASP A 80 -1.660 10.786 12.401 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -0.826 9.856 12.393 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -1.439 11.897 12.929 1.00 0.00 O ATOM 0 H ASP A 80 -1.249 8.801 10.845 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.858 9.825 9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.563 11.491 11.724 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.581 9.848 12.331 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.502 10.615 8.390 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.814 11.515 7.471 1.00 0.00 C ATOM 1339 C LYS A 81 -1.655 11.753 6.220 1.00 0.00 C ATOM 1340 O LYS A 81 -1.970 12.894 5.880 1.00 0.00 O ATOM 1341 CB LYS A 81 0.548 10.940 7.084 1.00 0.00 C ATOM 1342 CG LYS A 81 1.331 10.383 8.262 1.00 0.00 C ATOM 1343 CD LYS A 81 1.806 11.491 9.188 1.00 0.00 C ATOM 1344 CE LYS A 81 1.706 11.078 10.647 1.00 0.00 C ATOM 1345 NZ LYS A 81 2.516 11.961 11.531 1.00 0.00 N ATOM 0 H LYS A 81 -1.404 9.625 8.164 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.664 12.469 7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.403 10.149 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.138 11.719 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.706 9.685 8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.190 9.820 7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.839 11.747 8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.209 12.387 9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.663 11.107 10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.043 10.047 10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.046 12.053 12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.461 11.547 11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.607 12.900 11.094 1.00 0.00 H new ATOM 1359 N VAL A 82 -2.013 10.669 5.542 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.818 10.747 4.327 1.00 0.00 C ATOM 1361 C VAL A 82 -4.014 11.676 4.510 1.00 0.00 C ATOM 1362 O VAL A 82 -4.725 11.600 5.512 1.00 0.00 O ATOM 1363 CB VAL A 82 -3.328 9.357 3.899 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -2.164 8.443 3.551 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -4.190 8.743 4.992 1.00 0.00 C ATOM 0 H VAL A 82 -1.757 9.720 5.814 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.168 11.147 3.549 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.944 9.477 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.545 7.467 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.593 8.877 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.518 8.329 4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.541 7.762 4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.601 8.638 5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.046 9.389 5.186 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.227 12.551 3.535 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.334 13.497 3.587 1.00 0.00 C ATOM 1377 C VAL A 83 -6.175 13.431 2.314 1.00 0.00 C ATOM 1378 O VAL A 83 -7.400 13.536 2.363 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.822 14.938 3.793 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -5.950 15.948 3.640 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -4.160 15.075 5.156 1.00 0.00 C ATOM 0 H VAL A 83 -3.648 12.625 2.699 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.958 13.218 4.436 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.080 15.148 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.560 16.955 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.376 15.869 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.724 15.744 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.804 16.097 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.883 14.840 5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.318 14.386 5.222 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.512 13.257 1.175 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.204 13.180 -0.106 1.00 0.00 C ATOM 1393 C GLN A 84 -6.126 11.771 -0.684 1.00 0.00 C ATOM 1394 O GLN A 84 -5.073 11.337 -1.153 1.00 0.00 O ATOM 1395 CB GLN A 84 -5.606 14.183 -1.096 1.00 0.00 C ATOM 1396 CG GLN A 84 -6.467 14.409 -2.327 1.00 0.00 C ATOM 1397 CD GLN A 84 -5.710 14.172 -3.621 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -6.190 13.475 -4.516 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -4.521 14.751 -3.724 1.00 0.00 N ATOM 0 H GLN A 84 -4.498 13.167 1.113 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.252 13.427 0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.455 15.136 -0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.624 13.830 -1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.330 13.745 -2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.849 15.430 -2.316 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.163 15.320 -2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.965 14.627 -4.570 1.00 0.00 H new ATOM 1408 N THR A 85 -7.249 11.060 -0.647 1.00 0.00 N ATOM 1409 CA THR A 85 -7.310 9.699 -1.167 1.00 0.00 C ATOM 1410 C THR A 85 -8.152 9.642 -2.436 1.00 0.00 C ATOM 1411 O THR A 85 -8.829 10.608 -2.788 1.00 0.00 O ATOM 1412 CB THR A 85 -7.891 8.753 -0.113 1.00 0.00 C ATOM 1413 OG1 THR A 85 -8.246 7.510 -0.694 1.00 0.00 O ATOM 1414 CG2 THR A 85 -9.118 9.307 0.579 1.00 0.00 C ATOM 0 H THR A 85 -8.129 11.404 -0.262 1.00 0.00 H new ATOM 0 HA THR A 85 -6.296 9.382 -1.409 1.00 0.00 H new ATOM 0 HB THR A 85 -7.102 8.629 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.708 6.958 -0.029 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.478 8.586 1.313 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.862 10.240 1.081 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.898 9.494 -0.159 1.00 0.00 H new ATOM 1422 N LEU A 86 -8.105 8.504 -3.122 1.00 0.00 N ATOM 1423 CA LEU A 86 -8.865 8.320 -4.355 1.00 0.00 C ATOM 1424 C LEU A 86 -10.349 8.597 -4.126 1.00 0.00 C ATOM 1425 O LEU A 86 -10.975 9.221 -5.007 1.00 0.00 O ATOM 1426 CB LEU A 86 -8.675 6.897 -4.886 1.00 0.00 C ATOM 1427 CG LEU A 86 -9.221 6.651 -6.294 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -8.628 5.379 -6.881 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -10.740 6.570 -6.270 1.00 0.00 C ATOM 1430 OXT LEU A 86 -10.870 8.188 -3.067 1.00 0.00 O ATOM 0 H LEU A 86 -7.549 7.695 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.492 9.030 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.610 6.663 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.158 6.202 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.931 7.490 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.028 5.220 -7.883 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.543 5.474 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.888 4.531 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.111 6.395 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.050 5.750 -5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.148 7.507 -5.891 1.00 0.00 H new