USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=24 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 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 180:sc= -1.02 USER MOD Single : A 22 MET CE :methyl 140:sc= -0.818 (180deg=-3.88!) USER MOD Single : A 23 THR OG1 : rot -58:sc= 0.92 USER MOD Single : A 24 THR OG1 : rot -70:sc= -2.07 USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0538) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= 0.225 (180deg=0.00577) 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 K(o=0,f=-0.9) USER MOD Single : A 42 LYS NZ :NH3+ 140:sc= 0.222 (180deg=-1.52) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.0594 (180deg=-0.298) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -3.52! USER MOD Single : A 58 ASN : amide:sc= -0.385 X(o=-0.39,f=-0.73) USER MOD Single : A 60 SER OG : rot -52:sc= 1.22 USER MOD Single : A 61 MET CE :methyl -169:sc= -6.44! (180deg=-6.94!) USER MOD Single : A 64 SER OG : rot 105:sc= 0.0484 USER MOD Single : A 65 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.38) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.026) USER MOD Single : A 74 GLN : amide:sc= -0.438 X(o=-0.44,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -56:sc= 1.23 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 81 LYS NZ :NH3+ -150:sc= -0.786 (180deg=-2.31!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 152:sc= -0.0561 USER MOD ----------------------------------------------------------------- ATOM 178 N TYR A 12 -14.573 -8.992 -7.804 1.00 0.00 N ATOM 179 CA TYR A 12 -13.402 -8.657 -8.609 1.00 0.00 C ATOM 180 C TYR A 12 -12.134 -9.249 -7.999 1.00 0.00 C ATOM 181 O TYR A 12 -11.471 -8.610 -7.185 1.00 0.00 O ATOM 182 CB TYR A 12 -13.255 -7.138 -8.743 1.00 0.00 C ATOM 183 CG TYR A 12 -13.683 -6.362 -7.515 1.00 0.00 C ATOM 184 CD1 TYR A 12 -12.835 -6.224 -6.422 1.00 0.00 C ATOM 185 CD2 TYR A 12 -14.936 -5.766 -7.451 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.224 -5.512 -5.303 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.331 -5.054 -6.335 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.471 -4.930 -5.264 1.00 0.00 C ATOM 189 OH TYR A 12 -14.860 -4.220 -4.152 1.00 0.00 O ATOM 0 HA TYR A 12 -13.545 -9.087 -9.600 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.214 -6.903 -8.963 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -13.845 -6.801 -9.596 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -11.857 -6.680 -6.448 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.613 -5.861 -8.287 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.553 -5.413 -4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.309 -4.597 -6.301 1.00 0.00 H new ATOM 0 HH TYR A 12 -15.767 -3.873 -4.286 1.00 0.00 H new ATOM 199 N PRO A 13 -11.781 -10.485 -8.382 1.00 0.00 N ATOM 200 CA PRO A 13 -10.597 -11.158 -7.872 1.00 0.00 C ATOM 201 C PRO A 13 -9.362 -10.896 -8.727 1.00 0.00 C ATOM 202 O PRO A 13 -8.851 -11.796 -9.393 1.00 0.00 O ATOM 203 CB PRO A 13 -11.009 -12.622 -7.949 1.00 0.00 C ATOM 204 CG PRO A 13 -11.870 -12.699 -9.169 1.00 0.00 C ATOM 205 CD PRO A 13 -12.509 -11.337 -9.340 1.00 0.00 C ATOM 0 HA PRO A 13 -10.312 -10.820 -6.876 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.141 -13.276 -8.033 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.555 -12.929 -7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.277 -12.960 -10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.631 -13.472 -9.057 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.404 -10.971 -10.361 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.576 -11.365 -9.120 1.00 0.00 H new ATOM 213 N CYS A 14 -8.888 -9.654 -8.705 1.00 0.00 N ATOM 214 CA CYS A 14 -7.713 -9.272 -9.481 1.00 0.00 C ATOM 215 C CYS A 14 -6.929 -8.172 -8.771 1.00 0.00 C ATOM 216 O CYS A 14 -7.360 -7.652 -7.743 1.00 0.00 O ATOM 217 CB CYS A 14 -8.129 -8.799 -10.875 1.00 0.00 C ATOM 218 SG CYS A 14 -7.019 -9.337 -12.196 1.00 0.00 S ATOM 0 H CYS A 14 -9.299 -8.896 -8.159 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.071 -10.147 -9.579 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.134 -9.165 -11.087 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.180 -7.710 -10.878 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.454 -8.891 -13.337 1.00 0.00 H new ATOM 224 N LEU A 15 -5.773 -7.824 -9.328 1.00 0.00 N ATOM 225 CA LEU A 15 -4.927 -6.787 -8.749 1.00 0.00 C ATOM 226 C LEU A 15 -5.451 -5.399 -9.104 1.00 0.00 C ATOM 227 O LEU A 15 -5.566 -5.048 -10.279 1.00 0.00 O ATOM 228 CB LEU A 15 -3.485 -6.946 -9.239 1.00 0.00 C ATOM 229 CG LEU A 15 -2.437 -7.064 -8.131 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.293 -7.964 -8.570 1.00 0.00 C ATOM 231 CD2 LEU A 15 -1.916 -5.688 -7.745 1.00 0.00 C ATOM 0 H LEU A 15 -5.401 -8.245 -10.179 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.948 -6.895 -7.665 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.427 -7.833 -9.870 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.234 -6.091 -9.867 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.909 -7.513 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.558 -8.035 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.679 -8.958 -8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.821 -7.545 -9.459 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.171 -5.789 -6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.461 -5.214 -8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.742 -5.073 -7.388 1.00 0.00 H new ATOM 243 N TRP A 16 -5.769 -4.612 -8.080 1.00 0.00 N ATOM 244 CA TRP A 16 -6.283 -3.261 -8.285 1.00 0.00 C ATOM 245 C TRP A 16 -5.284 -2.215 -7.801 1.00 0.00 C ATOM 246 O TRP A 16 -4.384 -2.517 -7.014 1.00 0.00 O ATOM 247 CB TRP A 16 -7.616 -3.085 -7.558 1.00 0.00 C ATOM 248 CG TRP A 16 -8.510 -2.065 -8.193 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.724 -0.786 -7.769 1.00 0.00 C ATOM 250 CD2 TRP A 16 -9.311 -2.239 -9.368 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.609 -0.152 -8.608 1.00 0.00 N ATOM 252 CE2 TRP A 16 -9.984 -1.023 -9.597 1.00 0.00 C ATOM 253 CE3 TRP A 16 -9.524 -3.303 -10.248 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -10.854 -0.845 -10.671 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -10.388 -3.126 -11.313 1.00 0.00 C ATOM 256 CH2 TRP A 16 -11.043 -1.903 -11.516 1.00 0.00 C ATOM 0 H TRP A 16 -5.680 -4.886 -7.101 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.438 -3.118 -9.355 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.134 -4.043 -7.528 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.423 -2.795 -6.525 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.265 -0.337 -6.901 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.934 0.810 -8.510 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -9.022 -4.248 -10.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.361 0.095 -10.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -10.561 -3.942 -11.999 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -11.711 -1.794 -12.358 1.00 0.00 H new ATOM 267 N ASP A 17 -5.451 -0.984 -8.272 1.00 0.00 N ATOM 268 CA ASP A 17 -4.568 0.113 -7.889 1.00 0.00 C ATOM 269 C ASP A 17 -5.346 1.203 -7.158 1.00 0.00 C ATOM 270 O ASP A 17 -6.487 1.503 -7.508 1.00 0.00 O ATOM 271 CB ASP A 17 -3.882 0.699 -9.124 1.00 0.00 C ATOM 272 CG ASP A 17 -2.988 -0.306 -9.821 1.00 0.00 C ATOM 273 OD1 ASP A 17 -3.522 -1.224 -10.476 1.00 0.00 O ATOM 274 OD2 ASP A 17 -1.750 -0.175 -9.711 1.00 0.00 O ATOM 0 H ASP A 17 -6.192 -0.720 -8.922 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.808 -0.282 -7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.640 1.053 -9.823 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.290 1.565 -8.830 1.00 0.00 H new ATOM 279 N TYR A 18 -4.725 1.791 -6.139 1.00 0.00 N ATOM 280 CA TYR A 18 -5.370 2.845 -5.362 1.00 0.00 C ATOM 281 C TYR A 18 -4.491 4.090 -5.287 1.00 0.00 C ATOM 282 O TYR A 18 -3.399 4.058 -4.722 1.00 0.00 O ATOM 283 CB TYR A 18 -5.684 2.345 -3.952 1.00 0.00 C ATOM 284 CG TYR A 18 -6.579 1.127 -3.925 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.850 1.165 -4.484 1.00 0.00 C ATOM 286 CD2 TYR A 18 -6.152 -0.060 -3.345 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.672 0.054 -4.462 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.966 -1.176 -3.320 1.00 0.00 C ATOM 289 CZ TYR A 18 -8.225 -1.114 -3.880 1.00 0.00 C ATOM 290 OH TYR A 18 -9.039 -2.223 -3.857 1.00 0.00 O ATOM 0 H TYR A 18 -3.780 1.557 -5.833 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.300 3.112 -5.865 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.749 2.110 -3.443 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.160 3.148 -3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.202 2.077 -4.943 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.167 -0.112 -2.906 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.659 0.100 -4.898 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.619 -2.092 -2.865 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.573 -2.961 -3.412 1.00 0.00 H new ATOM 300 N ARG A 19 -4.981 5.188 -5.855 1.00 0.00 N ATOM 301 CA ARG A 19 -4.244 6.446 -5.845 1.00 0.00 C ATOM 302 C ARG A 19 -4.409 7.152 -4.503 1.00 0.00 C ATOM 303 O ARG A 19 -5.430 7.793 -4.250 1.00 0.00 O ATOM 304 CB ARG A 19 -4.724 7.354 -6.981 1.00 0.00 C ATOM 305 CG ARG A 19 -3.642 7.678 -7.999 1.00 0.00 C ATOM 306 CD ARG A 19 -3.144 9.108 -7.848 1.00 0.00 C ATOM 307 NE ARG A 19 -4.066 10.073 -8.440 1.00 0.00 N ATOM 308 CZ ARG A 19 -3.860 11.389 -8.445 1.00 0.00 C ATOM 309 NH1 ARG A 19 -2.766 11.897 -7.893 1.00 0.00 N ATOM 310 NH2 ARG A 19 -4.749 12.197 -9.006 1.00 0.00 N ATOM 0 H ARG A 19 -5.884 5.231 -6.327 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.187 6.226 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.559 6.874 -7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.102 8.284 -6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.808 6.987 -7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.033 7.532 -9.006 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.010 9.336 -6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.166 9.203 -8.321 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.918 9.719 -8.875 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.078 11.279 -7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.613 12.905 -7.899 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.591 11.811 -9.434 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.591 13.205 -9.010 1.00 0.00 H new ATOM 324 N VAL A 20 -3.403 7.023 -3.646 1.00 0.00 N ATOM 325 CA VAL A 20 -3.442 7.642 -2.325 1.00 0.00 C ATOM 326 C VAL A 20 -2.437 8.783 -2.215 1.00 0.00 C ATOM 327 O VAL A 20 -1.245 8.599 -2.459 1.00 0.00 O ATOM 328 CB VAL A 20 -3.150 6.614 -1.218 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.384 7.225 0.154 1.00 0.00 C ATOM 330 CG2 VAL A 20 -4.001 5.367 -1.409 1.00 0.00 C ATOM 0 H VAL A 20 -2.551 6.497 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.449 8.037 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.102 6.323 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.172 6.483 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.726 8.084 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.422 7.547 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.781 4.651 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.056 5.637 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.776 4.918 -2.376 1.00 0.00 H new ATOM 340 N ILE A 21 -2.925 9.962 -1.836 1.00 0.00 N ATOM 341 CA ILE A 21 -2.064 11.130 -1.685 1.00 0.00 C ATOM 342 C ILE A 21 -1.995 11.564 -0.224 1.00 0.00 C ATOM 343 O ILE A 21 -3.015 11.620 0.462 1.00 0.00 O ATOM 344 CB ILE A 21 -2.552 12.327 -2.530 1.00 0.00 C ATOM 345 CG1 ILE A 21 -3.178 11.873 -3.860 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.404 13.290 -2.785 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.487 10.695 -4.522 1.00 0.00 C ATOM 0 H ILE A 21 -3.909 10.133 -1.629 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.076 10.833 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.330 12.838 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.221 11.611 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.174 12.714 -4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.759 14.130 -3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.019 13.658 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.609 12.774 -3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.999 10.448 -5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.450 10.955 -4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.514 9.835 -3.853 1.00 0.00 H new ATOM 359 N MET A 22 -0.789 11.868 0.245 1.00 0.00 N ATOM 360 CA MET A 22 -0.596 12.292 1.621 1.00 0.00 C ATOM 361 C MET A 22 -0.002 13.692 1.671 1.00 0.00 C ATOM 362 O MET A 22 0.830 14.057 0.841 1.00 0.00 O ATOM 363 CB MET A 22 0.323 11.317 2.360 1.00 0.00 C ATOM 364 CG MET A 22 0.356 9.917 1.762 1.00 0.00 C ATOM 365 SD MET A 22 1.789 9.648 0.703 1.00 0.00 S ATOM 366 CE MET A 22 3.123 10.038 1.833 1.00 0.00 C ATOM 0 H MET A 22 0.066 11.828 -0.309 1.00 0.00 H new ATOM 0 HA MET A 22 -1.570 12.302 2.111 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.335 11.722 2.365 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.002 11.249 3.399 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.361 9.182 2.567 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.554 9.751 1.185 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.941 9.333 1.687 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.478 11.051 1.641 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.763 9.968 2.859 1.00 0.00 H new ATOM 376 N THR A 23 -0.428 14.469 2.657 1.00 0.00 N ATOM 377 CA THR A 23 0.071 15.828 2.823 1.00 0.00 C ATOM 378 C THR A 23 0.645 16.017 4.221 1.00 0.00 C ATOM 379 O THR A 23 0.078 16.732 5.048 1.00 0.00 O ATOM 380 CB THR A 23 -1.044 16.842 2.570 1.00 0.00 C ATOM 381 OG1 THR A 23 -0.675 18.123 3.049 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.356 16.469 3.224 1.00 0.00 C ATOM 0 H THR A 23 -1.117 14.183 3.353 1.00 0.00 H new ATOM 0 HA THR A 23 0.864 15.994 2.094 1.00 0.00 H new ATOM 0 HB THR A 23 -1.186 16.849 1.489 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.474 18.069 4.007 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.102 17.232 3.003 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.695 15.508 2.838 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.218 16.398 4.303 1.00 0.00 H new ATOM 390 N THR A 24 1.777 15.368 4.477 1.00 0.00 N ATOM 391 CA THR A 24 2.431 15.463 5.777 1.00 0.00 C ATOM 392 C THR A 24 3.924 15.733 5.623 1.00 0.00 C ATOM 393 O THR A 24 4.534 15.359 4.620 1.00 0.00 O ATOM 394 CB THR A 24 2.214 14.177 6.575 1.00 0.00 C ATOM 395 OG1 THR A 24 0.919 13.652 6.339 1.00 0.00 O ATOM 396 CG2 THR A 24 2.368 14.366 8.069 1.00 0.00 C ATOM 0 H THR A 24 2.259 14.773 3.803 1.00 0.00 H new ATOM 0 HA THR A 24 1.986 16.299 6.316 1.00 0.00 H new ATOM 0 HB THR A 24 2.987 13.490 6.231 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.249 14.234 6.754 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.201 13.415 8.575 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.374 14.722 8.289 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.639 15.097 8.420 1.00 0.00 H new ATOM 404 N LYS A 25 4.506 16.382 6.625 1.00 0.00 N ATOM 405 CA LYS A 25 5.931 16.702 6.606 1.00 0.00 C ATOM 406 C LYS A 25 6.727 15.687 7.421 1.00 0.00 C ATOM 407 O LYS A 25 7.801 15.995 7.937 1.00 0.00 O ATOM 408 CB LYS A 25 6.165 18.111 7.156 1.00 0.00 C ATOM 409 CG LYS A 25 5.685 18.292 8.588 1.00 0.00 C ATOM 410 CD LYS A 25 6.104 19.642 9.149 1.00 0.00 C ATOM 411 CE LYS A 25 4.943 20.624 9.163 1.00 0.00 C ATOM 412 NZ LYS A 25 4.637 21.140 7.800 1.00 0.00 N ATOM 0 H LYS A 25 4.014 16.697 7.461 1.00 0.00 H new ATOM 0 HA LYS A 25 6.274 16.661 5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.230 18.339 7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.655 18.831 6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.599 18.203 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.090 17.496 9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.486 19.514 10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.919 20.049 8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.059 20.136 9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.181 21.459 9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.922 21.892 7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.504 21.523 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.271 20.366 7.210 1.00 0.00 H new ATOM 426 N ASP A 26 6.193 14.475 7.530 1.00 0.00 N ATOM 427 CA ASP A 26 6.852 13.412 8.280 1.00 0.00 C ATOM 428 C ASP A 26 6.507 12.047 7.694 1.00 0.00 C ATOM 429 O ASP A 26 6.128 11.124 8.416 1.00 0.00 O ATOM 430 CB ASP A 26 6.443 13.470 9.753 1.00 0.00 C ATOM 431 CG ASP A 26 7.576 13.082 10.683 1.00 0.00 C ATOM 432 OD1 ASP A 26 8.720 13.518 10.438 1.00 0.00 O ATOM 433 OD2 ASP A 26 7.318 12.342 11.656 1.00 0.00 O ATOM 0 H ASP A 26 5.305 14.204 7.108 1.00 0.00 H new ATOM 0 HA ASP A 26 7.930 13.558 8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.107 14.478 9.995 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.596 12.804 9.919 1.00 0.00 H new ATOM 438 N THR A 27 6.636 11.928 6.376 1.00 0.00 N ATOM 439 CA THR A 27 6.335 10.679 5.686 1.00 0.00 C ATOM 440 C THR A 27 7.439 9.642 5.896 1.00 0.00 C ATOM 441 O THR A 27 7.305 8.494 5.475 1.00 0.00 O ATOM 442 CB THR A 27 6.143 10.938 4.191 1.00 0.00 C ATOM 443 OG1 THR A 27 7.369 11.305 3.584 1.00 0.00 O ATOM 444 CG2 THR A 27 5.140 12.032 3.898 1.00 0.00 C ATOM 0 H THR A 27 6.947 12.682 5.764 1.00 0.00 H new ATOM 0 HA THR A 27 5.413 10.280 6.108 1.00 0.00 H new ATOM 0 HB THR A 27 5.765 10.001 3.782 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.226 11.465 2.628 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.051 12.165 2.820 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.170 11.756 4.311 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.475 12.964 4.352 1.00 0.00 H new ATOM 452 N SER A 28 8.528 10.047 6.549 1.00 0.00 N ATOM 453 CA SER A 28 9.644 9.141 6.807 1.00 0.00 C ATOM 454 C SER A 28 9.166 7.867 7.498 1.00 0.00 C ATOM 455 O SER A 28 9.779 6.807 7.364 1.00 0.00 O ATOM 456 CB SER A 28 10.704 9.834 7.664 1.00 0.00 C ATOM 457 OG SER A 28 10.889 11.179 7.259 1.00 0.00 O ATOM 0 H SER A 28 8.660 10.993 6.907 1.00 0.00 H new ATOM 0 HA SER A 28 10.084 8.867 5.848 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.405 9.804 8.712 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.648 9.295 7.587 1.00 0.00 H new ATOM 0 HG SER A 28 11.570 11.600 7.824 1.00 0.00 H new ATOM 463 N THR A 29 8.065 7.973 8.234 1.00 0.00 N ATOM 464 CA THR A 29 7.504 6.827 8.938 1.00 0.00 C ATOM 465 C THR A 29 6.675 5.973 7.986 1.00 0.00 C ATOM 466 O THR A 29 6.608 4.751 8.127 1.00 0.00 O ATOM 467 CB THR A 29 6.639 7.293 10.111 1.00 0.00 C ATOM 468 OG1 THR A 29 6.048 6.187 10.768 1.00 0.00 O ATOM 469 CG2 THR A 29 5.525 8.231 9.697 1.00 0.00 C ATOM 0 H THR A 29 7.544 8.841 8.358 1.00 0.00 H new ATOM 0 HA THR A 29 8.326 6.225 9.325 1.00 0.00 H new ATOM 0 HB THR A 29 7.316 7.830 10.775 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.500 6.505 11.516 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.950 8.523 10.576 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.952 9.119 9.231 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.870 7.727 8.986 1.00 0.00 H new ATOM 477 N LEU A 30 6.046 6.627 7.015 1.00 0.00 N ATOM 478 CA LEU A 30 5.223 5.933 6.034 1.00 0.00 C ATOM 479 C LEU A 30 6.085 5.324 4.934 1.00 0.00 C ATOM 480 O LEU A 30 5.860 4.190 4.512 1.00 0.00 O ATOM 481 CB LEU A 30 4.201 6.894 5.425 1.00 0.00 C ATOM 482 CG LEU A 30 2.938 6.231 4.871 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.185 5.508 5.977 1.00 0.00 C ATOM 484 CD2 LEU A 30 2.044 7.264 4.202 1.00 0.00 C ATOM 0 H LEU A 30 6.091 7.638 6.887 1.00 0.00 H new ATOM 0 HA LEU A 30 4.695 5.127 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.909 7.619 6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.683 7.451 4.621 1.00 0.00 H new ATOM 0 HG LEU A 30 3.235 5.497 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.290 5.043 5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.825 4.740 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.899 6.222 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.151 6.775 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.755 8.022 4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.585 7.736 3.382 1.00 0.00 H new ATOM 496 N LYS A 31 7.076 6.082 4.472 1.00 0.00 N ATOM 497 CA LYS A 31 7.969 5.611 3.420 1.00 0.00 C ATOM 498 C LYS A 31 8.603 4.274 3.799 1.00 0.00 C ATOM 499 O LYS A 31 8.834 3.420 2.944 1.00 0.00 O ATOM 500 CB LYS A 31 9.061 6.650 3.135 1.00 0.00 C ATOM 501 CG LYS A 31 10.080 6.789 4.255 1.00 0.00 C ATOM 502 CD LYS A 31 11.235 5.813 4.084 1.00 0.00 C ATOM 503 CE LYS A 31 12.480 6.508 3.556 1.00 0.00 C ATOM 504 NZ LYS A 31 12.666 6.279 2.097 1.00 0.00 N ATOM 0 H LYS A 31 7.280 7.023 4.809 1.00 0.00 H new ATOM 0 HA LYS A 31 7.376 5.467 2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.579 6.376 2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.592 7.618 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.464 7.809 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.593 6.614 5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.459 5.342 5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.942 5.018 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.408 7.578 3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.355 6.145 4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.682 6.261 1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.238 5.369 1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.209 7.046 1.564 1.00 0.00 H new ATOM 518 N GLU A 32 8.878 4.102 5.089 1.00 0.00 N ATOM 519 CA GLU A 32 9.481 2.870 5.582 1.00 0.00 C ATOM 520 C GLU A 32 8.422 1.790 5.782 1.00 0.00 C ATOM 521 O GLU A 32 8.697 0.602 5.630 1.00 0.00 O ATOM 522 CB GLU A 32 10.221 3.127 6.896 1.00 0.00 C ATOM 523 CG GLU A 32 9.314 3.590 8.025 1.00 0.00 C ATOM 524 CD GLU A 32 10.078 3.900 9.296 1.00 0.00 C ATOM 525 OE1 GLU A 32 10.995 4.747 9.247 1.00 0.00 O ATOM 526 OE2 GLU A 32 9.759 3.297 10.343 1.00 0.00 O ATOM 0 H GLU A 32 8.693 4.800 5.810 1.00 0.00 H new ATOM 0 HA GLU A 32 10.195 2.521 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.730 2.213 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.991 3.880 6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.769 4.479 7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.572 2.818 8.230 1.00 0.00 H new ATOM 533 N LEU A 33 7.209 2.217 6.119 1.00 0.00 N ATOM 534 CA LEU A 33 6.105 1.290 6.335 1.00 0.00 C ATOM 535 C LEU A 33 5.513 0.829 5.006 1.00 0.00 C ATOM 536 O LEU A 33 4.928 -0.249 4.916 1.00 0.00 O ATOM 537 CB LEU A 33 5.022 1.948 7.193 1.00 0.00 C ATOM 538 CG LEU A 33 4.982 1.487 8.651 1.00 0.00 C ATOM 539 CD1 LEU A 33 6.315 1.754 9.331 1.00 0.00 C ATOM 540 CD2 LEU A 33 3.852 2.178 9.397 1.00 0.00 C ATOM 0 H LEU A 33 6.966 3.199 6.248 1.00 0.00 H new ATOM 0 HA LEU A 33 6.492 0.416 6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.170 3.028 7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.051 1.751 6.739 1.00 0.00 H new ATOM 0 HG LEU A 33 4.798 0.413 8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.268 1.420 10.367 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.104 1.212 8.810 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.530 2.822 9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.838 1.838 10.433 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.005 3.257 9.371 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.901 1.935 8.923 1.00 0.00 H new ATOM 552 N LEU A 34 5.668 1.655 3.977 1.00 0.00 N ATOM 553 CA LEU A 34 5.149 1.336 2.653 1.00 0.00 C ATOM 554 C LEU A 34 6.169 0.540 1.845 1.00 0.00 C ATOM 555 O LEU A 34 5.803 -0.278 1.001 1.00 0.00 O ATOM 556 CB LEU A 34 4.779 2.618 1.906 1.00 0.00 C ATOM 557 CG LEU A 34 3.651 3.433 2.539 1.00 0.00 C ATOM 558 CD1 LEU A 34 3.426 4.724 1.766 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.371 2.613 2.596 1.00 0.00 C ATOM 0 H LEU A 34 6.150 2.552 4.035 1.00 0.00 H new ATOM 0 HA LEU A 34 4.255 0.725 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.666 3.248 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.491 2.357 0.888 1.00 0.00 H new ATOM 0 HG LEU A 34 3.941 3.691 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.620 5.291 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.340 5.318 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.157 4.489 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.578 3.208 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.077 2.326 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.539 1.717 3.193 1.00 0.00 H new ATOM 571 N GLU A 35 7.448 0.785 2.110 1.00 0.00 N ATOM 572 CA GLU A 35 8.521 0.091 1.405 1.00 0.00 C ATOM 573 C GLU A 35 8.887 -1.219 2.100 1.00 0.00 C ATOM 574 O GLU A 35 9.624 -2.036 1.549 1.00 0.00 O ATOM 575 CB GLU A 35 9.755 0.989 1.305 1.00 0.00 C ATOM 576 CG GLU A 35 9.593 2.142 0.327 1.00 0.00 C ATOM 577 CD GLU A 35 10.889 2.891 0.089 1.00 0.00 C ATOM 578 OE1 GLU A 35 11.317 3.638 0.993 1.00 0.00 O ATOM 579 OE2 GLU A 35 11.474 2.731 -1.003 1.00 0.00 O ATOM 0 H GLU A 35 7.767 1.458 2.807 1.00 0.00 H new ATOM 0 HA GLU A 35 8.163 -0.145 0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.982 1.391 2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.610 0.385 1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.220 1.758 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.842 2.834 0.708 1.00 0.00 H new ATOM 586 N THR A 36 8.373 -1.418 3.312 1.00 0.00 N ATOM 587 CA THR A 36 8.654 -2.633 4.072 1.00 0.00 C ATOM 588 C THR A 36 8.261 -3.875 3.277 1.00 0.00 C ATOM 589 O THR A 36 8.919 -4.913 3.363 1.00 0.00 O ATOM 590 CB THR A 36 7.907 -2.611 5.406 1.00 0.00 C ATOM 591 OG1 THR A 36 8.198 -3.772 6.162 1.00 0.00 O ATOM 592 CG2 THR A 36 6.404 -2.529 5.252 1.00 0.00 C ATOM 0 H THR A 36 7.761 -0.755 3.788 1.00 0.00 H new ATOM 0 HA THR A 36 9.726 -2.670 4.265 1.00 0.00 H new ATOM 0 HB THR A 36 8.252 -1.711 5.914 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.712 -3.739 7.012 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.937 -2.517 6.237 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.142 -1.617 4.716 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.048 -3.394 4.692 1.00 0.00 H new ATOM 600 N TYR A 37 7.188 -3.761 2.503 1.00 0.00 N ATOM 601 CA TYR A 37 6.708 -4.873 1.691 1.00 0.00 C ATOM 602 C TYR A 37 6.384 -6.086 2.558 1.00 0.00 C ATOM 603 O TYR A 37 6.794 -7.207 2.254 1.00 0.00 O ATOM 604 CB TYR A 37 7.752 -5.247 0.635 1.00 0.00 C ATOM 605 CG TYR A 37 7.920 -4.207 -0.450 1.00 0.00 C ATOM 606 CD1 TYR A 37 6.815 -3.575 -1.010 1.00 0.00 C ATOM 607 CD2 TYR A 37 9.180 -3.860 -0.917 1.00 0.00 C ATOM 608 CE1 TYR A 37 6.964 -2.625 -2.001 1.00 0.00 C ATOM 609 CE2 TYR A 37 9.338 -2.909 -1.908 1.00 0.00 C ATOM 610 CZ TYR A 37 8.226 -2.296 -2.447 1.00 0.00 C ATOM 611 OH TYR A 37 8.378 -1.350 -3.435 1.00 0.00 O ATOM 0 H TYR A 37 6.633 -2.909 2.421 1.00 0.00 H new ATOM 0 HA TYR A 37 5.792 -4.556 1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.712 -5.405 1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.469 -6.195 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.824 -3.831 -0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.052 -4.341 -0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.096 -2.142 -2.425 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.326 -2.648 -2.258 1.00 0.00 H new ATOM 0 HH TYR A 37 9.331 -1.234 -3.633 1.00 0.00 H new ATOM 621 N GLN A 38 5.643 -5.858 3.638 1.00 0.00 N ATOM 622 CA GLN A 38 5.260 -6.934 4.546 1.00 0.00 C ATOM 623 C GLN A 38 4.514 -8.034 3.797 1.00 0.00 C ATOM 624 O GLN A 38 4.816 -9.218 3.948 1.00 0.00 O ATOM 625 CB GLN A 38 4.392 -6.389 5.680 1.00 0.00 C ATOM 626 CG GLN A 38 5.156 -6.143 6.971 1.00 0.00 C ATOM 627 CD GLN A 38 5.277 -7.392 7.822 1.00 0.00 C ATOM 628 OE1 GLN A 38 5.143 -8.511 7.327 1.00 0.00 O ATOM 629 NE2 GLN A 38 5.534 -7.206 9.111 1.00 0.00 N ATOM 0 H GLN A 38 5.296 -4.937 3.906 1.00 0.00 H new ATOM 0 HA GLN A 38 6.169 -7.361 4.971 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.932 -5.455 5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.582 -7.092 5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.153 -5.771 6.734 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.653 -5.364 7.544 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.638 -6.260 9.479 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.628 -8.009 9.733 1.00 0.00 H new ATOM 638 N ARG A 39 3.542 -7.632 2.985 1.00 0.00 N ATOM 639 CA ARG A 39 2.752 -8.578 2.205 1.00 0.00 C ATOM 640 C ARG A 39 3.033 -8.411 0.714 1.00 0.00 C ATOM 641 O ARG A 39 3.645 -7.428 0.298 1.00 0.00 O ATOM 642 CB ARG A 39 1.252 -8.396 2.483 1.00 0.00 C ATOM 643 CG ARG A 39 0.896 -7.067 3.132 1.00 0.00 C ATOM 644 CD ARG A 39 -0.599 -6.794 3.053 1.00 0.00 C ATOM 645 NE ARG A 39 -1.299 -7.239 4.255 1.00 0.00 N ATOM 646 CZ ARG A 39 -2.610 -7.471 4.306 1.00 0.00 C ATOM 647 NH1 ARG A 39 -3.363 -7.299 3.227 1.00 0.00 N ATOM 648 NH2 ARG A 39 -3.166 -7.875 5.440 1.00 0.00 N ATOM 0 H ARG A 39 3.282 -6.655 2.850 1.00 0.00 H new ATOM 0 HA ARG A 39 3.040 -9.585 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.706 -8.487 1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.913 -9.206 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.212 -7.074 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.441 -6.262 2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.766 -5.726 2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.015 -7.301 2.182 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.753 -7.380 5.105 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.939 -6.988 2.353 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.366 -7.478 3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.590 -8.008 6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.170 -8.053 5.481 1.00 0.00 H new ATOM 662 N PRO A 40 2.590 -9.373 -0.114 1.00 0.00 N ATOM 663 CA PRO A 40 2.803 -9.324 -1.566 1.00 0.00 C ATOM 664 C PRO A 40 2.066 -8.160 -2.224 1.00 0.00 C ATOM 665 O PRO A 40 1.064 -8.355 -2.910 1.00 0.00 O ATOM 666 CB PRO A 40 2.244 -10.661 -2.061 1.00 0.00 C ATOM 667 CG PRO A 40 1.294 -11.097 -1.001 1.00 0.00 C ATOM 668 CD PRO A 40 1.856 -10.583 0.294 1.00 0.00 C ATOM 0 HA PRO A 40 3.853 -9.172 -1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.740 -10.547 -3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.039 -11.393 -2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.297 -10.695 -1.181 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.201 -12.183 -0.983 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.068 -10.353 1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.514 -11.313 0.765 1.00 0.00 H new ATOM 676 N PHE A 41 2.573 -6.949 -2.013 1.00 0.00 N ATOM 677 CA PHE A 41 1.967 -5.755 -2.589 1.00 0.00 C ATOM 678 C PHE A 41 3.038 -4.783 -3.078 1.00 0.00 C ATOM 679 O PHE A 41 4.195 -4.862 -2.666 1.00 0.00 O ATOM 680 CB PHE A 41 1.058 -5.067 -1.564 1.00 0.00 C ATOM 681 CG PHE A 41 1.801 -4.307 -0.501 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.225 -4.940 0.655 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.075 -2.957 -0.660 1.00 0.00 C ATOM 684 CE1 PHE A 41 2.908 -4.243 1.634 1.00 0.00 C ATOM 685 CE2 PHE A 41 2.757 -2.254 0.314 1.00 0.00 C ATOM 686 CZ PHE A 41 3.174 -2.898 1.463 1.00 0.00 C ATOM 0 H PHE A 41 3.402 -6.770 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 41 1.364 -6.061 -3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.391 -4.382 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.431 -5.820 -1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.020 -5.991 0.794 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.751 -2.449 -1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.233 -4.749 2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.964 -1.203 0.178 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.707 -2.351 2.226 1.00 0.00 H new ATOM 696 N LYS A 42 2.644 -3.866 -3.955 1.00 0.00 N ATOM 697 CA LYS A 42 3.571 -2.879 -4.495 1.00 0.00 C ATOM 698 C LYS A 42 2.939 -1.492 -4.517 1.00 0.00 C ATOM 699 O LYS A 42 1.717 -1.358 -4.508 1.00 0.00 O ATOM 700 CB LYS A 42 4.010 -3.277 -5.906 1.00 0.00 C ATOM 701 CG LYS A 42 4.717 -4.622 -5.966 1.00 0.00 C ATOM 702 CD LYS A 42 4.405 -5.359 -7.257 1.00 0.00 C ATOM 703 CE LYS A 42 3.100 -6.133 -7.155 1.00 0.00 C ATOM 704 NZ LYS A 42 1.935 -5.320 -7.597 1.00 0.00 N ATOM 0 H LYS A 42 1.690 -3.786 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 42 4.446 -2.848 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.135 -3.306 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.674 -2.509 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.793 -4.472 -5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.413 -5.232 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.343 -4.646 -8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.219 -6.045 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.165 -7.035 -7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.948 -6.454 -6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.283 -5.917 -8.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.440 -4.941 -6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.266 -4.533 -8.191 1.00 0.00 H new ATOM 718 N LEU A 43 3.780 -0.464 -4.546 1.00 0.00 N ATOM 719 CA LEU A 43 3.302 0.912 -4.572 1.00 0.00 C ATOM 720 C LEU A 43 3.982 1.702 -5.681 1.00 0.00 C ATOM 721 O LEU A 43 5.206 1.834 -5.702 1.00 0.00 O ATOM 722 CB LEU A 43 3.556 1.591 -3.225 1.00 0.00 C ATOM 723 CG LEU A 43 2.412 1.483 -2.215 1.00 0.00 C ATOM 724 CD1 LEU A 43 2.044 0.026 -1.980 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.791 2.156 -0.907 1.00 0.00 C ATOM 0 H LEU A 43 4.796 -0.558 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 43 2.230 0.891 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.453 1.158 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.765 2.646 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 43 1.541 1.995 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.229 -0.032 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.729 -0.426 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.910 -0.510 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.965 2.069 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.676 1.673 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.004 3.209 -1.088 1.00 0.00 H new ATOM 737 N GLU A 44 3.183 2.230 -6.600 1.00 0.00 N ATOM 738 CA GLU A 44 3.716 3.012 -7.705 1.00 0.00 C ATOM 739 C GLU A 44 3.649 4.502 -7.391 1.00 0.00 C ATOM 740 O GLU A 44 2.661 5.168 -7.694 1.00 0.00 O ATOM 741 CB GLU A 44 2.943 2.713 -8.990 1.00 0.00 C ATOM 742 CG GLU A 44 3.161 1.303 -9.518 1.00 0.00 C ATOM 743 CD GLU A 44 4.472 1.158 -10.267 1.00 0.00 C ATOM 744 OE1 GLU A 44 4.812 2.068 -11.051 1.00 0.00 O ATOM 745 OE2 GLU A 44 5.158 0.133 -10.067 1.00 0.00 O ATOM 0 H GLU A 44 2.168 2.131 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 44 4.760 2.733 -7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.879 2.863 -8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.239 3.429 -9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.143 0.600 -8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.337 1.035 -10.179 1.00 0.00 H new ATOM 752 N PHE A 45 4.710 5.019 -6.781 1.00 0.00 N ATOM 753 CA PHE A 45 4.773 6.433 -6.427 1.00 0.00 C ATOM 754 C PHE A 45 4.660 7.301 -7.678 1.00 0.00 C ATOM 755 O PHE A 45 5.278 7.011 -8.701 1.00 0.00 O ATOM 756 CB PHE A 45 6.080 6.751 -5.690 1.00 0.00 C ATOM 757 CG PHE A 45 6.539 5.662 -4.761 1.00 0.00 C ATOM 758 CD1 PHE A 45 5.722 5.219 -3.733 1.00 0.00 C ATOM 759 CD2 PHE A 45 7.787 5.082 -4.916 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.143 4.218 -2.878 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.213 4.082 -4.065 1.00 0.00 C ATOM 762 CZ PHE A 45 7.390 3.648 -3.045 1.00 0.00 C ATOM 0 H PHE A 45 5.537 4.481 -6.522 1.00 0.00 H new ATOM 0 HA PHE A 45 3.936 6.653 -5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.862 6.941 -6.425 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.949 7.670 -5.119 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.746 5.661 -3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.435 5.416 -5.713 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.498 3.882 -2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.189 3.640 -4.197 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.721 2.865 -2.379 1.00 0.00 H new ATOM 772 N LYS A 46 3.866 8.364 -7.591 1.00 0.00 N ATOM 773 CA LYS A 46 3.678 9.265 -8.722 1.00 0.00 C ATOM 774 C LYS A 46 4.794 10.303 -8.784 1.00 0.00 C ATOM 775 O LYS A 46 5.237 10.689 -9.866 1.00 0.00 O ATOM 776 CB LYS A 46 2.319 9.961 -8.631 1.00 0.00 C ATOM 777 CG LYS A 46 1.142 9.039 -8.906 1.00 0.00 C ATOM 778 CD LYS A 46 1.161 8.517 -10.333 1.00 0.00 C ATOM 779 CE LYS A 46 1.098 9.652 -11.344 1.00 0.00 C ATOM 780 NZ LYS A 46 -0.034 10.580 -11.068 1.00 0.00 N ATOM 0 H LYS A 46 3.345 8.621 -6.753 1.00 0.00 H new ATOM 0 HA LYS A 46 3.710 8.670 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.207 10.392 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.296 10.788 -9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.166 8.200 -8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.210 9.575 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.067 7.934 -10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.317 7.845 -10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.036 10.208 -11.325 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.992 9.239 -12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.180 11.203 -11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.899 10.030 -10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.185 11.156 -10.230 1.00 0.00 H new ATOM 901 N PHE A 54 2.184 17.783 -1.390 1.00 0.00 N ATOM 902 CA PHE A 54 1.289 16.641 -1.545 1.00 0.00 C ATOM 903 C PHE A 54 1.996 15.486 -2.241 1.00 0.00 C ATOM 904 O PHE A 54 2.346 15.575 -3.418 1.00 0.00 O ATOM 905 CB PHE A 54 0.043 17.038 -2.339 1.00 0.00 C ATOM 906 CG PHE A 54 -0.450 18.426 -2.041 1.00 0.00 C ATOM 907 CD1 PHE A 54 -1.206 18.678 -0.907 1.00 0.00 C ATOM 908 CD2 PHE A 54 -0.158 19.477 -2.895 1.00 0.00 C ATOM 909 CE1 PHE A 54 -1.659 19.953 -0.628 1.00 0.00 C ATOM 910 CE2 PHE A 54 -0.610 20.754 -2.623 1.00 0.00 C ATOM 911 CZ PHE A 54 -1.362 20.994 -1.489 1.00 0.00 C ATOM 0 HA PHE A 54 0.988 16.316 -0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.263 16.961 -3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.754 16.326 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.444 17.868 -0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.429 19.296 -3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.244 20.137 0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.375 21.565 -3.297 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.717 21.991 -1.276 1.00 0.00 H new ATOM 921 N TYR A 55 2.200 14.400 -1.505 1.00 0.00 N ATOM 922 CA TYR A 55 2.859 13.223 -2.054 1.00 0.00 C ATOM 923 C TYR A 55 1.833 12.230 -2.580 1.00 0.00 C ATOM 924 O TYR A 55 1.107 11.601 -1.809 1.00 0.00 O ATOM 925 CB TYR A 55 3.729 12.556 -0.986 1.00 0.00 C ATOM 926 CG TYR A 55 4.662 13.516 -0.282 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.207 14.321 0.754 1.00 0.00 C ATOM 928 CD2 TYR A 55 5.996 13.615 -0.653 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.056 15.201 1.400 1.00 0.00 C ATOM 930 CE2 TYR A 55 6.852 14.491 -0.012 1.00 0.00 C ATOM 931 CZ TYR A 55 6.378 15.281 1.013 1.00 0.00 C ATOM 932 OH TYR A 55 7.226 16.155 1.653 1.00 0.00 O ATOM 0 H TYR A 55 1.919 14.311 -0.529 1.00 0.00 H new ATOM 0 HA TYR A 55 3.493 13.541 -2.882 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.083 12.082 -0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.317 11.765 -1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.173 14.259 1.060 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.371 12.997 -1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.686 15.822 2.203 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.887 14.556 -0.313 1.00 0.00 H new ATOM 0 HH TYR A 55 8.122 16.088 1.261 1.00 0.00 H new ATOM 942 N SER A 56 1.773 12.100 -3.900 1.00 0.00 N ATOM 943 CA SER A 56 0.831 11.187 -4.532 1.00 0.00 C ATOM 944 C SER A 56 1.507 9.878 -4.930 1.00 0.00 C ATOM 945 O SER A 56 2.565 9.880 -5.558 1.00 0.00 O ATOM 946 CB SER A 56 0.202 11.841 -5.766 1.00 0.00 C ATOM 947 OG SER A 56 -0.720 12.850 -5.394 1.00 0.00 O ATOM 0 H SER A 56 2.365 12.615 -4.552 1.00 0.00 H new ATOM 0 HA SER A 56 0.051 10.962 -3.805 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.984 12.271 -6.392 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.305 11.084 -6.364 1.00 0.00 H new ATOM 0 HG SER A 56 -1.106 13.253 -6.199 1.00 0.00 H new ATOM 953 N PHE A 57 0.890 8.762 -4.554 1.00 0.00 N ATOM 954 CA PHE A 57 1.428 7.448 -4.866 1.00 0.00 C ATOM 955 C PHE A 57 0.304 6.450 -5.147 1.00 0.00 C ATOM 956 O PHE A 57 -0.870 6.744 -4.917 1.00 0.00 O ATOM 957 CB PHE A 57 2.301 6.965 -3.710 1.00 0.00 C ATOM 958 CG PHE A 57 1.523 6.505 -2.511 1.00 0.00 C ATOM 959 CD1 PHE A 57 1.059 7.417 -1.579 1.00 0.00 C ATOM 960 CD2 PHE A 57 1.260 5.160 -2.319 1.00 0.00 C ATOM 961 CE1 PHE A 57 0.343 6.996 -0.475 1.00 0.00 C ATOM 962 CE2 PHE A 57 0.544 4.732 -1.216 1.00 0.00 C ATOM 963 CZ PHE A 57 0.085 5.652 -0.293 1.00 0.00 C ATOM 0 H PHE A 57 0.014 8.745 -4.031 1.00 0.00 H new ATOM 0 HA PHE A 57 2.038 7.522 -5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.929 6.146 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.969 7.773 -3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.259 8.469 -1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.617 4.437 -3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.014 7.717 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.344 3.680 -1.076 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.475 5.320 0.569 1.00 0.00 H new ATOM 973 N ASN A 58 0.670 5.272 -5.646 1.00 0.00 N ATOM 974 CA ASN A 58 -0.311 4.238 -5.959 1.00 0.00 C ATOM 975 C ASN A 58 -0.031 2.960 -5.172 1.00 0.00 C ATOM 976 O ASN A 58 1.058 2.782 -4.626 1.00 0.00 O ATOM 977 CB ASN A 58 -0.306 3.938 -7.460 1.00 0.00 C ATOM 978 CG ASN A 58 -1.378 4.707 -8.207 1.00 0.00 C ATOM 979 OD1 ASN A 58 -1.079 5.610 -8.988 1.00 0.00 O ATOM 980 ND2 ASN A 58 -2.636 4.351 -7.969 1.00 0.00 N ATOM 0 H ASN A 58 1.636 5.011 -5.842 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.295 4.610 -5.672 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.671 4.187 -7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.455 2.869 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.401 4.833 -8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.837 3.596 -7.313 1.00 0.00 H new ATOM 987 N VAL A 59 -1.022 2.074 -5.118 1.00 0.00 N ATOM 988 CA VAL A 59 -0.885 0.812 -4.399 1.00 0.00 C ATOM 989 C VAL A 59 -1.455 -0.348 -5.206 1.00 0.00 C ATOM 990 O VAL A 59 -2.668 -0.460 -5.378 1.00 0.00 O ATOM 991 CB VAL A 59 -1.603 0.861 -3.036 1.00 0.00 C ATOM 992 CG1 VAL A 59 -1.278 -0.378 -2.213 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.232 2.127 -2.281 1.00 0.00 C ATOM 0 H VAL A 59 -1.929 2.208 -5.564 1.00 0.00 H new ATOM 0 HA VAL A 59 0.182 0.657 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.678 0.876 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.794 -0.324 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.604 -1.268 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.203 -0.430 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.749 2.143 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.155 2.148 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.526 2.999 -2.866 1.00 0.00 H new ATOM 1003 N SER A 60 -0.572 -1.212 -5.694 1.00 0.00 N ATOM 1004 CA SER A 60 -0.986 -2.368 -6.479 1.00 0.00 C ATOM 1005 C SER A 60 -0.843 -3.651 -5.667 1.00 0.00 C ATOM 1006 O SER A 60 0.270 -4.090 -5.375 1.00 0.00 O ATOM 1007 CB SER A 60 -0.154 -2.466 -7.758 1.00 0.00 C ATOM 1008 OG SER A 60 0.063 -1.185 -8.327 1.00 0.00 O ATOM 0 H SER A 60 0.436 -1.133 -5.559 1.00 0.00 H new ATOM 0 HA SER A 60 -2.035 -2.240 -6.746 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.804 -2.936 -7.537 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.664 -3.106 -8.479 1.00 0.00 H new ATOM 0 HG SER A 60 -0.795 -0.722 -8.427 1.00 0.00 H new ATOM 1014 N MET A 61 -1.972 -4.248 -5.304 1.00 0.00 N ATOM 1015 CA MET A 61 -1.965 -5.481 -4.525 1.00 0.00 C ATOM 1016 C MET A 61 -3.053 -6.438 -5.005 1.00 0.00 C ATOM 1017 O MET A 61 -3.891 -6.078 -5.831 1.00 0.00 O ATOM 1018 CB MET A 61 -2.153 -5.171 -3.038 1.00 0.00 C ATOM 1019 CG MET A 61 -3.543 -4.668 -2.684 1.00 0.00 C ATOM 1020 SD MET A 61 -3.842 -2.985 -3.258 1.00 0.00 S ATOM 1021 CE MET A 61 -5.122 -3.267 -4.479 1.00 0.00 C ATOM 0 H MET A 61 -2.902 -3.900 -5.536 1.00 0.00 H new ATOM 0 HA MET A 61 -0.999 -5.965 -4.666 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.945 -6.072 -2.460 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.419 -4.423 -2.737 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.288 -5.334 -3.120 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.675 -4.707 -1.603 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.277 -2.358 -5.060 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.819 -4.076 -5.144 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.050 -3.539 -3.977 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.032 -7.657 -4.479 1.00 0.00 N ATOM 1032 CA GLU A 62 -4.015 -8.668 -4.854 1.00 0.00 C ATOM 1033 C GLU A 62 -5.339 -8.435 -4.133 1.00 0.00 C ATOM 1034 O GLU A 62 -5.370 -8.204 -2.924 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.482 -10.068 -4.536 1.00 0.00 C ATOM 1036 CG GLU A 62 -3.171 -10.896 -5.773 1.00 0.00 C ATOM 1037 CD GLU A 62 -4.235 -11.938 -6.059 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -4.871 -12.417 -5.098 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -4.430 -12.274 -7.245 1.00 0.00 O ATOM 0 H GLU A 62 -2.346 -7.970 -3.792 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.191 -8.590 -5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.578 -9.976 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.216 -10.598 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.075 -10.234 -6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.209 -11.391 -5.642 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.433 -8.499 -4.885 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.762 -8.298 -4.322 1.00 0.00 C ATOM 1048 C VAL A 63 -8.711 -9.412 -4.754 1.00 0.00 C ATOM 1049 O VAL A 63 -8.683 -9.854 -5.903 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.349 -6.935 -4.745 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.737 -6.735 -4.153 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.419 -5.806 -4.331 1.00 0.00 C ATOM 0 H VAL A 63 -6.425 -8.689 -5.887 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.658 -8.316 -3.237 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.442 -6.924 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.130 -5.767 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.400 -7.526 -4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.677 -6.768 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.847 -4.851 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.293 -5.817 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.449 -5.939 -4.811 1.00 0.00 H new ATOM 1062 N SER A 64 -9.548 -9.862 -3.824 1.00 0.00 N ATOM 1063 CA SER A 64 -10.504 -10.928 -4.105 1.00 0.00 C ATOM 1064 C SER A 64 -11.938 -10.409 -4.061 1.00 0.00 C ATOM 1065 O SER A 64 -12.816 -10.929 -4.747 1.00 0.00 O ATOM 1066 CB SER A 64 -10.333 -12.069 -3.098 1.00 0.00 C ATOM 1067 OG SER A 64 -9.095 -12.732 -3.284 1.00 0.00 O ATOM 0 H SER A 64 -9.584 -9.505 -2.869 1.00 0.00 H new ATOM 0 HA SER A 64 -10.306 -11.300 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.389 -11.674 -2.084 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.151 -12.781 -3.208 1.00 0.00 H new ATOM 0 HG SER A 64 -8.474 -12.471 -2.572 1.00 0.00 H new ATOM 1073 N ASN A 65 -12.170 -9.381 -3.249 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.502 -8.799 -3.119 1.00 0.00 C ATOM 1075 C ASN A 65 -13.478 -7.570 -2.213 1.00 0.00 C ATOM 1076 O ASN A 65 -12.416 -7.144 -1.756 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.492 -9.833 -2.569 1.00 0.00 C ATOM 1078 CG ASN A 65 -13.837 -10.846 -1.647 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -14.036 -12.053 -1.794 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -13.054 -10.361 -0.690 1.00 0.00 N ATOM 0 H ASN A 65 -11.456 -8.935 -2.673 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.828 -8.490 -4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.286 -9.317 -2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.962 -10.357 -3.401 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.590 -10.996 -0.041 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.917 -9.354 -0.605 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.655 -7.005 -1.958 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.775 -5.824 -1.107 1.00 0.00 C ATOM 1089 C GLU A 66 -14.107 -6.053 0.245 1.00 0.00 C ATOM 1090 O GLU A 66 -13.618 -5.114 0.872 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.246 -5.456 -0.905 1.00 0.00 C ATOM 1092 CG GLU A 66 -17.149 -6.658 -0.667 1.00 0.00 C ATOM 1093 CD GLU A 66 -17.904 -6.572 0.645 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -17.316 -6.089 1.638 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -19.081 -6.987 0.682 1.00 0.00 O ATOM 0 H GLU A 66 -15.541 -7.347 -2.329 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.268 -4.999 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.328 -4.777 -0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.600 -4.915 -1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.862 -6.739 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.547 -7.567 -0.676 1.00 0.00 H new ATOM 1102 N SER A 67 -14.091 -7.307 0.689 1.00 0.00 N ATOM 1103 CA SER A 67 -13.479 -7.657 1.967 1.00 0.00 C ATOM 1104 C SER A 67 -12.059 -7.110 2.054 1.00 0.00 C ATOM 1105 O SER A 67 -11.719 -6.374 2.983 1.00 0.00 O ATOM 1106 CB SER A 67 -13.466 -9.177 2.150 1.00 0.00 C ATOM 1107 OG SER A 67 -13.764 -9.531 3.490 1.00 0.00 O ATOM 0 H SER A 67 -14.494 -8.096 0.184 1.00 0.00 H new ATOM 0 HA SER A 67 -14.072 -7.208 2.763 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.194 -9.634 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.488 -9.571 1.875 1.00 0.00 H new ATOM 0 HG SER A 67 -13.751 -10.507 3.581 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.236 -7.465 1.075 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.856 -6.998 1.039 1.00 0.00 C ATOM 1115 C GLU A 68 -9.813 -5.484 0.884 1.00 0.00 C ATOM 1116 O GLU A 68 -9.135 -4.794 1.642 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.084 -7.661 -0.106 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.468 -9.114 -0.345 1.00 0.00 C ATOM 1119 CD GLU A 68 -8.297 -9.959 -0.805 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -7.300 -9.380 -1.286 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -8.375 -11.200 -0.682 1.00 0.00 O ATOM 0 H GLU A 68 -11.499 -8.072 0.299 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.382 -7.274 1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.253 -7.095 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.017 -7.608 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.875 -9.534 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.259 -9.158 -1.093 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.550 -4.972 -0.099 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.603 -3.534 -0.357 1.00 0.00 C ATOM 1130 C ARG A 69 -10.763 -2.747 0.941 1.00 0.00 C ATOM 1131 O ARG A 69 -10.264 -1.628 1.066 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.757 -3.209 -1.307 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.630 -1.850 -1.977 1.00 0.00 C ATOM 1134 CD ARG A 69 -12.991 -1.279 -2.342 1.00 0.00 C ATOM 1135 NE ARG A 69 -13.760 -0.898 -1.159 1.00 0.00 N ATOM 1136 CZ ARG A 69 -14.834 -0.114 -1.193 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -15.271 0.376 -2.347 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -15.474 0.183 -0.070 1.00 0.00 N ATOM 0 H ARG A 69 -11.120 -5.533 -0.732 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.661 -3.242 -0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.812 -3.980 -2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.694 -3.245 -0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.112 -1.161 -1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.020 -1.942 -2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.858 -0.408 -2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.551 -2.017 -2.917 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.455 -1.255 -0.253 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.783 0.152 -3.214 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.095 0.977 -2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.143 -0.190 0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.298 0.784 -0.096 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.456 -3.341 1.906 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.674 -2.699 3.196 1.00 0.00 C ATOM 1154 C ASN A 70 -10.428 -2.814 4.069 1.00 0.00 C ATOM 1155 O ASN A 70 -10.139 -1.931 4.877 1.00 0.00 O ATOM 1156 CB ASN A 70 -12.874 -3.327 3.908 1.00 0.00 C ATOM 1157 CG ASN A 70 -14.092 -2.424 3.891 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -14.808 -2.310 4.885 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.335 -1.780 2.755 1.00 0.00 N ATOM 0 H ASN A 70 -11.876 -4.266 1.819 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.881 -1.643 3.022 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.121 -4.275 3.431 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.605 -3.550 4.940 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.142 -1.161 2.682 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.714 -1.904 1.955 1.00 0.00 H new ATOM 1166 N GLU A 71 -9.690 -3.906 3.894 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.471 -4.136 4.660 1.00 0.00 C ATOM 1168 C GLU A 71 -7.291 -3.393 4.040 1.00 0.00 C ATOM 1169 O GLU A 71 -6.410 -2.908 4.750 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.166 -5.635 4.731 1.00 0.00 C ATOM 1171 CG GLU A 71 -7.140 -5.996 5.792 1.00 0.00 C ATOM 1172 CD GLU A 71 -7.574 -7.170 6.648 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -8.226 -8.089 6.109 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -7.263 -7.170 7.858 1.00 0.00 O ATOM 0 H GLU A 71 -9.915 -4.645 3.228 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.626 -3.755 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.090 -6.176 4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.805 -5.971 3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.192 -6.234 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.964 -5.131 6.431 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.281 -3.305 2.713 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.209 -2.618 2.002 1.00 0.00 C ATOM 1183 C ILE A 72 -6.295 -1.107 2.197 1.00 0.00 C ATOM 1184 O ILE A 72 -5.289 -0.403 2.105 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.236 -2.927 0.489 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.471 -4.422 0.248 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -4.936 -2.474 -0.163 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.256 -4.856 -1.189 1.00 0.00 C ATOM 0 H ILE A 72 -8.002 -3.700 2.110 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.274 -2.987 2.423 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.061 -2.377 0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.803 -4.993 0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.490 -4.671 0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.967 -2.697 -1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.812 -1.401 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.097 -3.000 0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.442 -5.926 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.942 -4.314 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.229 -4.640 -1.484 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.500 -0.613 2.464 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.713 0.815 2.667 1.00 0.00 C ATOM 1202 C PHE A 73 -7.317 1.240 4.078 1.00 0.00 C ATOM 1203 O PHE A 73 -6.695 2.285 4.271 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.178 1.175 2.404 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.381 1.988 1.158 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -8.900 3.285 1.074 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -10.053 1.454 0.070 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -9.085 4.034 -0.072 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -10.242 2.200 -1.079 1.00 0.00 C ATOM 1210 CZ PHE A 73 -9.757 3.491 -1.150 1.00 0.00 C ATOM 0 H PHE A 73 -8.343 -1.181 2.545 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.079 1.351 1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.761 0.257 2.329 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.566 1.730 3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.375 3.715 1.914 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.433 0.444 0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.705 5.043 -0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.768 1.773 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.903 4.075 -2.047 1.00 0.00 H new ATOM 1220 N GLN A 74 -7.682 0.427 5.064 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.365 0.726 6.457 1.00 0.00 C ATOM 1222 C GLN A 74 -5.876 0.537 6.737 1.00 0.00 C ATOM 1223 O GLN A 74 -5.329 1.143 7.660 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.188 -0.162 7.393 1.00 0.00 C ATOM 1225 CG GLN A 74 -7.937 -1.648 7.200 1.00 0.00 C ATOM 1226 CD GLN A 74 -7.839 -2.397 8.515 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -8.765 -2.378 9.324 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -6.710 -3.063 8.734 1.00 0.00 N ATOM 0 H GLN A 74 -8.197 -0.443 4.925 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.618 1.770 6.640 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.962 0.105 8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.247 0.042 7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.742 -2.074 6.602 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.014 -1.787 6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.967 -3.052 8.035 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.586 -3.586 9.601 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.225 -0.304 5.940 1.00 0.00 N ATOM 1238 CA LYS A 75 -3.801 -0.570 6.110 1.00 0.00 C ATOM 1239 C LYS A 75 -2.961 0.607 5.621 1.00 0.00 C ATOM 1240 O LYS A 75 -2.071 1.081 6.327 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.405 -1.840 5.355 1.00 0.00 C ATOM 1242 CG LYS A 75 -3.797 -3.122 6.075 1.00 0.00 C ATOM 1243 CD LYS A 75 -2.578 -3.946 6.457 1.00 0.00 C ATOM 1244 CE LYS A 75 -2.212 -3.754 7.919 1.00 0.00 C ATOM 1245 NZ LYS A 75 -0.749 -3.913 8.151 1.00 0.00 N ATOM 0 H LYS A 75 -5.660 -0.813 5.171 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.610 -0.711 7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.872 -1.828 4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.327 -1.837 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.366 -2.877 6.972 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.451 -3.714 5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.776 -5.001 6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.734 -3.661 5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.525 -2.762 8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.757 -4.476 8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.541 -3.774 9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.454 -4.868 7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.230 -3.207 7.590 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.249 1.074 4.412 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.518 2.194 3.833 1.00 0.00 C ATOM 1261 C ILE A 76 -2.815 3.491 4.581 1.00 0.00 C ATOM 1262 O ILE A 76 -1.974 4.386 4.654 1.00 0.00 O ATOM 1263 CB ILE A 76 -2.855 2.378 2.338 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -1.929 3.420 1.709 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.313 2.774 2.157 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.618 2.847 1.217 1.00 0.00 C ATOM 0 H ILE A 76 -3.983 0.695 3.814 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.457 1.962 3.927 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.699 1.426 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.444 3.895 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.723 4.200 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.527 2.898 1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.955 1.995 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.502 3.713 2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.013 3.643 0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.081 2.397 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.814 2.087 0.460 1.00 0.00 H new ATOM 1278 N SER A 77 -4.019 3.580 5.141 1.00 0.00 N ATOM 1279 CA SER A 77 -4.426 4.764 5.889 1.00 0.00 C ATOM 1280 C SER A 77 -4.281 4.532 7.390 1.00 0.00 C ATOM 1281 O SER A 77 -4.955 5.176 8.194 1.00 0.00 O ATOM 1282 CB SER A 77 -5.873 5.132 5.554 1.00 0.00 C ATOM 1283 OG SER A 77 -6.336 6.186 6.380 1.00 0.00 O ATOM 0 H SER A 77 -4.727 2.848 5.091 1.00 0.00 H new ATOM 0 HA SER A 77 -3.774 5.589 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.943 5.429 4.507 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.512 4.258 5.681 1.00 0.00 H new ATOM 0 HG SER A 77 -6.239 5.931 7.321 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.398 3.610 7.761 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.167 3.295 9.165 1.00 0.00 C ATOM 1291 C GLN A 78 -2.698 4.528 9.931 1.00 0.00 C ATOM 1292 O GLN A 78 -3.060 4.727 11.092 1.00 0.00 O ATOM 1293 CB GLN A 78 -2.131 2.175 9.295 1.00 0.00 C ATOM 1294 CG GLN A 78 -2.146 1.487 10.650 1.00 0.00 C ATOM 1295 CD GLN A 78 -1.594 0.077 10.593 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -0.595 -0.185 9.924 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -2.245 -0.842 11.298 1.00 0.00 N ATOM 0 H GLN A 78 -2.831 3.068 7.108 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.111 2.960 9.595 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.311 1.432 8.518 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.138 2.588 9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.561 2.074 11.358 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.168 1.458 11.028 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.069 -0.581 11.839 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.920 -1.809 11.298 1.00 0.00 H new ATOM 1306 N LEU A 79 -1.888 5.352 9.275 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.367 6.566 9.894 1.00 0.00 C ATOM 1308 C LEU A 79 -2.304 7.746 9.653 1.00 0.00 C ATOM 1309 O LEU A 79 -3.374 7.593 9.064 1.00 0.00 O ATOM 1310 CB LEU A 79 0.026 6.885 9.344 1.00 0.00 C ATOM 1311 CG LEU A 79 1.188 6.255 10.118 1.00 0.00 C ATOM 1312 CD1 LEU A 79 1.995 5.332 9.219 1.00 0.00 C ATOM 1313 CD2 LEU A 79 2.081 7.333 10.717 1.00 0.00 C ATOM 0 H LEU A 79 -1.578 5.202 8.315 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.297 6.395 10.968 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.076 6.551 8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.158 7.967 9.337 1.00 0.00 H new ATOM 0 HG LEU A 79 0.773 5.662 10.933 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.815 4.895 9.789 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.351 4.537 8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.398 5.901 8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.900 6.865 11.263 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.485 7.955 9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.497 7.951 11.399 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.897 8.924 10.117 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.701 10.129 9.955 1.00 0.00 C ATOM 1327 C ASP A 80 -2.051 11.091 8.966 1.00 0.00 C ATOM 1328 O ASP A 80 -2.101 12.308 9.144 1.00 0.00 O ATOM 1329 CB ASP A 80 -2.895 10.823 11.305 1.00 0.00 C ATOM 1330 CG ASP A 80 -4.124 11.712 11.327 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -5.216 11.226 10.964 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -3.993 12.895 11.704 1.00 0.00 O ATOM 0 H ASP A 80 -1.015 9.069 10.608 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.674 9.835 9.561 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.981 10.070 12.089 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.013 11.421 11.533 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.443 10.538 7.921 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.785 11.350 6.901 1.00 0.00 C ATOM 1339 C LYS A 81 -1.692 11.537 5.690 1.00 0.00 C ATOM 1340 O LYS A 81 -2.064 12.658 5.347 1.00 0.00 O ATOM 1341 CB LYS A 81 0.533 10.700 6.470 1.00 0.00 C ATOM 1342 CG LYS A 81 1.346 10.141 7.626 1.00 0.00 C ATOM 1343 CD LYS A 81 1.969 11.252 8.457 1.00 0.00 C ATOM 1344 CE LYS A 81 2.140 10.834 9.909 1.00 0.00 C ATOM 1345 NZ LYS A 81 3.572 10.634 10.264 1.00 0.00 N ATOM 0 H LYS A 81 -1.392 9.532 7.758 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.574 12.329 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.318 9.896 5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.134 11.437 5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.706 9.527 8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.131 9.490 7.240 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.939 11.521 8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.342 12.142 8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.708 11.595 10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.589 9.911 10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.648 9.911 11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.098 10.322 9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.972 11.529 10.610 1.00 0.00 H new ATOM 1359 N VAL A 82 -2.043 10.426 5.047 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.908 10.455 3.871 1.00 0.00 C ATOM 1361 C VAL A 82 -4.122 11.351 4.089 1.00 0.00 C ATOM 1362 O VAL A 82 -4.758 11.309 5.143 1.00 0.00 O ATOM 1363 CB VAL A 82 -3.393 9.043 3.495 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -2.224 8.175 3.059 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -4.134 8.405 4.660 1.00 0.00 C ATOM 0 H VAL A 82 -1.740 9.492 5.322 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.307 10.859 3.056 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.085 9.128 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.587 7.181 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.740 8.625 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.505 8.096 3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.469 7.408 4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.467 8.332 5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.997 9.017 4.921 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.433 12.164 3.088 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.567 13.076 3.167 1.00 0.00 C ATOM 1377 C VAL A 83 -6.465 12.947 1.937 1.00 0.00 C ATOM 1378 O VAL A 83 -7.690 12.999 2.045 1.00 0.00 O ATOM 1379 CB VAL A 83 -5.089 14.536 3.309 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -6.251 15.509 3.180 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -4.371 14.731 4.634 1.00 0.00 C ATOM 0 H VAL A 83 -3.915 12.211 2.210 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.144 12.804 4.051 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.389 14.744 2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.884 16.530 3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.719 15.390 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.984 15.306 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.040 15.766 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.051 14.499 5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.507 14.068 4.680 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.850 12.782 0.770 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.599 12.648 -0.474 1.00 0.00 C ATOM 1393 C GLN A 84 -6.328 11.299 -1.131 1.00 0.00 C ATOM 1394 O GLN A 84 -5.263 11.080 -1.707 1.00 0.00 O ATOM 1395 CB GLN A 84 -6.233 13.778 -1.438 1.00 0.00 C ATOM 1396 CG GLN A 84 -7.274 14.018 -2.518 1.00 0.00 C ATOM 1397 CD GLN A 84 -6.711 13.860 -3.918 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -6.147 14.799 -4.482 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -6.861 12.669 -4.487 1.00 0.00 N ATOM 0 H GLN A 84 -4.837 12.738 0.660 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.661 12.710 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.093 14.698 -0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.278 13.546 -1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -8.100 13.320 -2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.683 15.022 -2.406 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.335 11.919 -3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.502 12.504 -5.428 1.00 0.00 H new ATOM 1408 N THR A 85 -7.299 10.395 -1.039 1.00 0.00 N ATOM 1409 CA THR A 85 -7.165 9.067 -1.625 1.00 0.00 C ATOM 1410 C THR A 85 -8.239 8.826 -2.679 1.00 0.00 C ATOM 1411 O THR A 85 -9.312 9.429 -2.636 1.00 0.00 O ATOM 1412 CB THR A 85 -7.253 7.996 -0.536 1.00 0.00 C ATOM 1413 OG1 THR A 85 -7.367 6.707 -1.110 1.00 0.00 O ATOM 1414 CG2 THR A 85 -8.429 8.189 0.398 1.00 0.00 C ATOM 0 H THR A 85 -8.187 10.559 -0.564 1.00 0.00 H new ATOM 0 HA THR A 85 -6.189 9.007 -2.107 1.00 0.00 H new ATOM 0 HB THR A 85 -6.333 8.092 0.040 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.985 6.042 -0.499 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.433 7.396 1.146 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.345 9.156 0.894 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.357 8.154 -0.173 1.00 0.00 H new ATOM 1422 N LEU A 86 -7.943 7.942 -3.627 1.00 0.00 N ATOM 1423 CA LEU A 86 -8.884 7.623 -4.694 1.00 0.00 C ATOM 1424 C LEU A 86 -9.990 6.703 -4.189 1.00 0.00 C ATOM 1425 O LEU A 86 -9.894 6.243 -3.031 1.00 0.00 O ATOM 1426 CB LEU A 86 -8.153 6.965 -5.866 1.00 0.00 C ATOM 1427 CG LEU A 86 -9.011 6.727 -7.110 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -8.194 6.949 -8.373 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -9.594 5.321 -7.092 1.00 0.00 C ATOM 1430 OXT LEU A 86 -10.945 6.451 -4.954 1.00 0.00 O ATOM 0 H LEU A 86 -7.060 7.435 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.338 8.554 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.304 7.590 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.750 6.009 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.833 7.442 -7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.821 6.775 -9.247 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.823 7.974 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.351 6.258 -8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.202 5.168 -7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.784 4.592 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.214 5.196 -6.204 1.00 0.00 H new