USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 14 CYS SG : rot -96:sc= -17! USER MOD Set 1.2: A 64 CYS SG : rot -56:sc= -18.9! USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= 0.314 (180deg=-0.211) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.0318 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 165:sc= -1.34! USER MOD Single : A 32 TYR OH : rot -60:sc= 1.23 USER MOD Single : A 33 ASN : amide:sc= -0.928 K(o=-0.93,f=-12!) USER MOD Single : A 34 ASN : amide:sc= -0.0233 X(o=-0.023,f=-0.5) USER MOD Single : A 35 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.24) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.93 K(o=-1.9,f=-3.2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.46! C(o=-3.5!,f=-5.9!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -3.43! C(o=-3.4!,f=-6.6!) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.24! C(o=-3.4!,f=-1.2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= -4.36! (180deg=-4.44!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 7.119 10.568 -9.504 1.00 1.00 N ATOM 146 CA LYS A 10 8.264 11.461 -9.454 1.00 1.00 C ATOM 147 C LYS A 10 8.840 11.465 -8.036 1.00 1.00 C ATOM 148 O LYS A 10 8.075 11.234 -7.089 1.00 1.00 O ATOM 149 CB LYS A 10 7.882 12.851 -9.967 1.00 1.00 C ATOM 150 CG LYS A 10 8.750 13.253 -11.160 1.00 1.00 C ATOM 151 CD LYS A 10 9.171 14.721 -11.062 1.00 1.00 C ATOM 152 CE LYS A 10 8.150 15.631 -11.747 1.00 1.00 C ATOM 153 NZ LYS A 10 8.232 15.489 -13.210 1.00 1.00 N ATOM 0 HA LYS A 10 9.053 11.107 -10.118 1.00 1.00 H new ATOM 0 HB2 LYS A 10 6.832 12.859 -10.258 1.00 1.00 H new ATOM 0 HB3 LYS A 10 7.997 13.582 -9.167 1.00 1.00 H new ATOM 0 HG2 LYS A 10 9.636 12.619 -11.200 1.00 1.00 H new ATOM 0 HG3 LYS A 10 8.199 13.090 -12.086 1.00 1.00 H new ATOM 0 HD2 LYS A 10 9.271 15.005 -10.014 1.00 1.00 H new ATOM 0 HD3 LYS A 10 10.149 14.854 -11.524 1.00 1.00 H new ATOM 0 HE2 LYS A 10 7.145 15.380 -11.407 1.00 1.00 H new ATOM 0 HE3 LYS A 10 8.332 16.668 -11.466 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 7.833 16.336 -13.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 9.227 15.380 -13.493 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 7.694 14.651 -13.508 1.00 1.00 H new ATOM 167 N PRO A 11 10.155 11.724 -7.921 1.00 1.00 N ATOM 168 CA PRO A 11 10.856 11.766 -6.649 1.00 1.00 C ATOM 169 C PRO A 11 10.438 12.990 -5.833 1.00 1.00 C ATOM 170 O PRO A 11 10.870 14.102 -6.173 1.00 1.00 O ATOM 171 CB PRO A 11 12.332 11.771 -7.014 1.00 1.00 C ATOM 172 CG PRO A 11 12.400 12.200 -8.470 1.00 1.00 C ATOM 173 CD PRO A 11 10.999 12.104 -9.051 1.00 1.00 C ATOM 0 HA PRO A 11 10.620 10.915 -6.010 1.00 1.00 H new ATOM 0 HB2 PRO A 11 12.889 12.459 -6.378 1.00 1.00 H new ATOM 0 HB3 PRO A 11 12.771 10.783 -6.877 1.00 1.00 H new ATOM 0 HG2 PRO A 11 12.777 13.219 -8.550 1.00 1.00 H new ATOM 0 HG3 PRO A 11 13.088 11.561 -9.024 1.00 1.00 H new ATOM 0 HD2 PRO A 11 10.682 13.055 -9.480 1.00 1.00 H new ATOM 0 HD3 PRO A 11 10.951 11.362 -9.848 1.00 1.00 H new ATOM 181 N ASP A 12 9.619 12.767 -4.789 1.00 1.00 N ATOM 182 CA ASP A 12 9.149 13.845 -3.935 1.00 1.00 C ATOM 183 C ASP A 12 10.345 14.490 -3.231 1.00 1.00 C ATOM 184 O ASP A 12 10.275 15.691 -2.931 1.00 1.00 O ATOM 185 CB ASP A 12 8.195 13.319 -2.861 1.00 1.00 C ATOM 186 CG ASP A 12 7.632 14.385 -1.918 1.00 1.00 C ATOM 187 OD1 ASP A 12 8.379 15.204 -1.361 1.00 1.00 O ATOM 188 OD2 ASP A 12 6.352 14.355 -1.763 1.00 1.00 O ATOM 0 H ASP A 12 9.275 11.844 -4.526 1.00 1.00 H new ATOM 0 HA ASP A 12 8.625 14.568 -4.560 1.00 1.00 H new ATOM 0 HB2 ASP A 12 7.363 12.813 -3.351 1.00 1.00 H new ATOM 0 HB3 ASP A 12 8.718 12.570 -2.267 1.00 1.00 H new ATOM 193 N PHE A 13 11.401 13.694 -2.986 1.00 1.00 N ATOM 194 CA PHE A 13 12.598 14.184 -2.324 1.00 1.00 C ATOM 195 C PHE A 13 13.153 15.379 -3.103 1.00 1.00 C ATOM 196 O PHE A 13 13.824 16.222 -2.490 1.00 1.00 O ATOM 197 CB PHE A 13 13.638 13.049 -2.250 1.00 1.00 C ATOM 198 CG PHE A 13 14.285 12.693 -3.581 1.00 1.00 C ATOM 199 CD1 PHE A 13 15.166 13.601 -4.213 1.00 1.00 C ATOM 200 CD2 PHE A 13 14.003 11.451 -4.196 1.00 1.00 C ATOM 201 CE1 PHE A 13 15.761 13.269 -5.449 1.00 1.00 C ATOM 202 CE2 PHE A 13 14.599 11.120 -5.432 1.00 1.00 C ATOM 203 CZ PHE A 13 15.478 12.029 -6.058 1.00 1.00 C ATOM 0 H PHE A 13 11.438 12.707 -3.242 1.00 1.00 H new ATOM 0 HA PHE A 13 12.362 14.508 -1.310 1.00 1.00 H new ATOM 0 HB2 PHE A 13 14.420 13.336 -1.547 1.00 1.00 H new ATOM 0 HB3 PHE A 13 13.156 12.159 -1.846 1.00 1.00 H new ATOM 0 HD1 PHE A 13 15.384 14.551 -3.748 1.00 1.00 H new ATOM 0 HD2 PHE A 13 13.330 10.754 -3.719 1.00 1.00 H new ATOM 0 HE1 PHE A 13 16.433 13.965 -5.929 1.00 1.00 H new ATOM 0 HE2 PHE A 13 14.382 10.171 -5.899 1.00 1.00 H new ATOM 0 HZ PHE A 13 15.934 11.775 -7.004 1.00 1.00 H new ATOM 213 N CYS A 14 12.867 15.427 -4.417 1.00 1.00 N ATOM 214 CA CYS A 14 13.334 16.508 -5.267 1.00 1.00 C ATOM 215 C CYS A 14 12.689 17.820 -4.817 1.00 1.00 C ATOM 216 O CYS A 14 13.376 18.852 -4.837 1.00 1.00 O ATOM 217 CB CYS A 14 13.054 16.210 -6.742 1.00 1.00 C ATOM 218 SG CYS A 14 14.220 15.056 -7.521 1.00 1.00 S ATOM 0 H CYS A 14 12.312 14.722 -4.903 1.00 1.00 H new ATOM 0 HA CYS A 14 14.415 16.603 -5.169 1.00 1.00 H new ATOM 0 HB2 CYS A 14 12.047 15.802 -6.831 1.00 1.00 H new ATOM 0 HB3 CYS A 14 13.068 17.148 -7.297 1.00 1.00 H new ATOM 0 HG CYS A 14 15.144 15.726 -8.143 1.00 1.00 H new ATOM 224 N PHE A 15 11.403 17.757 -4.427 1.00 1.00 N ATOM 225 CA PHE A 15 10.676 18.931 -3.977 1.00 1.00 C ATOM 226 C PHE A 15 10.926 19.139 -2.482 1.00 1.00 C ATOM 227 O PHE A 15 10.268 20.007 -1.889 1.00 1.00 O ATOM 228 CB PHE A 15 9.173 18.736 -4.259 1.00 1.00 C ATOM 229 CG PHE A 15 8.860 18.002 -5.555 1.00 1.00 C ATOM 230 CD1 PHE A 15 9.298 18.522 -6.795 1.00 1.00 C ATOM 231 CD2 PHE A 15 8.122 16.796 -5.525 1.00 1.00 C ATOM 232 CE1 PHE A 15 9.002 17.840 -7.995 1.00 1.00 C ATOM 233 CE2 PHE A 15 7.826 16.115 -6.726 1.00 1.00 C ATOM 234 CZ PHE A 15 8.266 16.636 -7.960 1.00 1.00 C ATOM 0 H PHE A 15 10.855 16.897 -4.419 1.00 1.00 H new ATOM 0 HA PHE A 15 11.020 19.815 -4.513 1.00 1.00 H new ATOM 0 HB2 PHE A 15 8.730 18.185 -3.429 1.00 1.00 H new ATOM 0 HB3 PHE A 15 8.692 19.714 -4.286 1.00 1.00 H new ATOM 0 HD1 PHE A 15 9.861 19.443 -6.824 1.00 1.00 H new ATOM 0 HD2 PHE A 15 7.784 16.395 -4.581 1.00 1.00 H new ATOM 0 HE1 PHE A 15 9.339 18.240 -8.940 1.00 1.00 H new ATOM 0 HE2 PHE A 15 7.262 15.194 -6.699 1.00 1.00 H new ATOM 0 HZ PHE A 15 8.040 16.114 -8.878 1.00 1.00 H new ATOM 244 N LEU A 16 11.856 18.352 -1.912 1.00 1.00 N ATOM 245 CA LEU A 16 12.187 18.450 -0.501 1.00 1.00 C ATOM 246 C LEU A 16 13.167 19.606 -0.290 1.00 1.00 C ATOM 247 O LEU A 16 13.833 19.999 -1.260 1.00 1.00 O ATOM 248 CB LEU A 16 12.699 17.107 0.023 1.00 1.00 C ATOM 249 CG LEU A 16 12.439 16.822 1.504 1.00 1.00 C ATOM 250 CD1 LEU A 16 11.553 15.586 1.677 1.00 1.00 C ATOM 251 CD2 LEU A 16 13.753 16.697 2.278 1.00 1.00 C ATOM 0 H LEU A 16 12.386 17.643 -2.418 1.00 1.00 H new ATOM 0 HA LEU A 16 11.296 18.676 0.084 1.00 1.00 H new ATOM 0 HB2 LEU A 16 12.242 16.312 -0.565 1.00 1.00 H new ATOM 0 HB3 LEU A 16 13.773 17.056 -0.153 1.00 1.00 H new ATOM 0 HG LEU A 16 11.897 17.669 1.924 1.00 1.00 H new ATOM 0 HD11 LEU A 16 11.384 15.405 2.739 1.00 1.00 H new ATOM 0 HD12 LEU A 16 10.597 15.751 1.180 1.00 1.00 H new ATOM 0 HD13 LEU A 16 12.047 14.720 1.236 1.00 1.00 H new ATOM 0 HD21 LEU A 16 13.539 16.495 3.327 1.00 1.00 H new ATOM 0 HD22 LEU A 16 14.343 15.880 1.864 1.00 1.00 H new ATOM 0 HD23 LEU A 16 14.314 17.628 2.195 1.00 1.00 H new ATOM 263 N GLU A 17 13.236 20.118 0.951 1.00 1.00 N ATOM 264 CA GLU A 17 14.126 21.218 1.282 1.00 1.00 C ATOM 265 C GLU A 17 15.577 20.744 1.174 1.00 1.00 C ATOM 266 O GLU A 17 15.847 19.587 1.528 1.00 1.00 O ATOM 267 CB GLU A 17 13.835 21.777 2.676 1.00 1.00 C ATOM 268 CG GLU A 17 12.339 21.713 2.991 1.00 1.00 C ATOM 269 CD GLU A 17 11.947 22.782 4.013 1.00 1.00 C ATOM 270 OE1 GLU A 17 11.730 23.945 3.641 1.00 1.00 O ATOM 271 OE2 GLU A 17 11.871 22.370 5.232 1.00 1.00 O ATOM 0 H GLU A 17 12.680 19.779 1.736 1.00 1.00 H new ATOM 0 HA GLU A 17 13.958 22.029 0.573 1.00 1.00 H new ATOM 0 HB2 GLU A 17 14.392 21.211 3.422 1.00 1.00 H new ATOM 0 HB3 GLU A 17 14.179 22.809 2.737 1.00 1.00 H new ATOM 0 HG2 GLU A 17 11.765 21.853 2.075 1.00 1.00 H new ATOM 0 HG3 GLU A 17 12.087 20.726 3.378 1.00 1.00 H new ATOM 278 N GLU A 18 16.467 21.631 0.695 1.00 1.00 N ATOM 279 CA GLU A 18 17.875 21.305 0.543 1.00 1.00 C ATOM 280 C GLU A 18 18.417 20.773 1.872 1.00 1.00 C ATOM 281 O GLU A 18 17.967 21.248 2.924 1.00 1.00 O ATOM 282 CB GLU A 18 18.683 22.513 0.066 1.00 1.00 C ATOM 283 CG GLU A 18 19.149 23.363 1.249 1.00 1.00 C ATOM 284 CD GLU A 18 19.155 24.850 0.888 1.00 1.00 C ATOM 285 OE1 GLU A 18 19.260 25.104 -0.373 1.00 1.00 O ATOM 286 OE2 GLU A 18 19.063 25.706 1.780 1.00 1.00 O ATOM 0 H GLU A 18 16.224 22.579 0.409 1.00 1.00 H new ATOM 0 HA GLU A 18 17.975 20.534 -0.221 1.00 1.00 H new ATOM 0 HB2 GLU A 18 19.547 22.174 -0.506 1.00 1.00 H new ATOM 0 HB3 GLU A 18 18.075 23.120 -0.605 1.00 1.00 H new ATOM 0 HG2 GLU A 18 18.492 23.195 2.103 1.00 1.00 H new ATOM 0 HG3 GLU A 18 20.150 23.055 1.551 1.00 1.00 H new ATOM 293 N ASP A 19 19.356 19.814 1.798 1.00 1.00 N ATOM 294 CA ASP A 19 19.951 19.226 2.985 1.00 1.00 C ATOM 295 C ASP A 19 21.457 19.058 2.767 1.00 1.00 C ATOM 296 O ASP A 19 21.845 18.176 1.987 1.00 1.00 O ATOM 297 CB ASP A 19 19.359 17.844 3.272 1.00 1.00 C ATOM 298 CG ASP A 19 20.263 16.907 4.075 1.00 1.00 C ATOM 299 OD1 ASP A 19 20.999 17.486 4.962 1.00 1.00 O ATOM 300 OD2 ASP A 19 20.265 15.685 3.863 1.00 1.00 O ATOM 0 H ASP A 19 19.712 19.436 0.920 1.00 1.00 H new ATOM 0 HA ASP A 19 19.747 19.888 3.826 1.00 1.00 H new ATOM 0 HB2 ASP A 19 18.422 17.972 3.813 1.00 1.00 H new ATOM 0 HB3 ASP A 19 19.116 17.365 2.323 1.00 1.00 H new ATOM 305 N PRO A 20 22.260 19.895 3.448 1.00 1.00 N ATOM 306 CA PRO A 20 23.710 19.868 3.355 1.00 1.00 C ATOM 307 C PRO A 20 24.296 18.759 4.231 1.00 1.00 C ATOM 308 O PRO A 20 25.497 18.481 4.104 1.00 1.00 O ATOM 309 CB PRO A 20 24.157 21.258 3.777 1.00 1.00 C ATOM 310 CG PRO A 20 22.984 21.861 4.533 1.00 1.00 C ATOM 311 CD PRO A 20 21.761 21.002 4.259 1.00 1.00 C ATOM 0 HA PRO A 20 24.063 19.639 2.349 1.00 1.00 H new ATOM 0 HB2 PRO A 20 25.044 21.208 4.408 1.00 1.00 H new ATOM 0 HB3 PRO A 20 24.416 21.865 2.910 1.00 1.00 H new ATOM 0 HG2 PRO A 20 23.195 21.894 5.602 1.00 1.00 H new ATOM 0 HG3 PRO A 20 22.809 22.887 4.211 1.00 1.00 H new ATOM 0 HD2 PRO A 20 21.313 20.643 5.186 1.00 1.00 H new ATOM 0 HD3 PRO A 20 20.992 21.565 3.730 1.00 1.00 H new ATOM 319 N GLY A 21 23.451 18.159 5.088 1.00 1.00 N ATOM 320 CA GLY A 21 23.883 17.092 5.975 1.00 1.00 C ATOM 321 C GLY A 21 24.452 17.701 7.258 1.00 1.00 C ATOM 322 O GLY A 21 24.255 18.904 7.478 1.00 1.00 O ATOM 0 H GLY A 21 22.465 18.404 5.177 1.00 1.00 H new ATOM 0 HA2 GLY A 21 23.044 16.437 6.210 1.00 1.00 H new ATOM 0 HA3 GLY A 21 24.638 16.478 5.484 1.00 1.00 H new ATOM 326 N ILE A 22 25.136 16.871 8.066 1.00 1.00 N ATOM 327 CA ILE A 22 25.727 17.324 9.313 1.00 1.00 C ATOM 328 C ILE A 22 27.219 17.587 9.100 1.00 1.00 C ATOM 329 O ILE A 22 27.607 18.762 9.026 1.00 1.00 O ATOM 330 CB ILE A 22 25.433 16.330 10.438 1.00 1.00 C ATOM 331 CG1 ILE A 22 24.355 15.329 10.017 1.00 1.00 C ATOM 332 CG2 ILE A 22 25.063 17.059 11.732 1.00 1.00 C ATOM 333 CD1 ILE A 22 23.685 14.698 11.239 1.00 1.00 C ATOM 0 H ILE A 22 25.287 15.882 7.866 1.00 1.00 H new ATOM 0 HA ILE A 22 25.278 18.267 9.626 1.00 1.00 H new ATOM 0 HB ILE A 22 26.341 15.761 10.637 1.00 1.00 H new ATOM 0 HG12 ILE A 22 23.605 15.832 9.406 1.00 1.00 H new ATOM 0 HG13 ILE A 22 24.799 14.549 9.398 1.00 1.00 H new ATOM 0 HG21 ILE A 22 24.859 16.329 12.515 1.00 1.00 H new ATOM 0 HG22 ILE A 22 25.891 17.699 12.039 1.00 1.00 H new ATOM 0 HG23 ILE A 22 24.176 17.669 11.565 1.00 1.00 H new ATOM 0 HD11 ILE A 22 22.923 13.991 10.912 1.00 1.00 H new ATOM 0 HD12 ILE A 22 24.433 14.175 11.835 1.00 1.00 H new ATOM 0 HD13 ILE A 22 23.221 15.478 11.843 1.00 1.00 H new ATOM 345 N CYS A 23 28.014 16.506 9.007 1.00 1.00 N ATOM 346 CA CYS A 23 29.448 16.619 8.804 1.00 1.00 C ATOM 347 C CYS A 23 29.729 17.728 7.787 1.00 1.00 C ATOM 348 O CYS A 23 29.711 17.440 6.581 1.00 1.00 O ATOM 349 CB CYS A 23 30.052 15.282 8.371 1.00 1.00 C ATOM 350 SG CYS A 23 29.051 14.343 7.180 1.00 1.00 S ATOM 0 H CYS A 23 27.675 15.546 9.071 1.00 1.00 H new ATOM 0 HA CYS A 23 29.925 16.885 9.747 1.00 1.00 H new ATOM 0 HB2 CYS A 23 31.033 15.467 7.933 1.00 1.00 H new ATOM 0 HB3 CYS A 23 30.209 14.667 9.257 1.00 1.00 H new ATOM 0 HG CYS A 23 29.658 13.233 6.883 1.00 1.00 H new ATOM 356 N ARG A 24 29.978 18.952 8.284 1.00 1.00 N ATOM 357 CA ARG A 24 30.259 20.090 7.425 1.00 1.00 C ATOM 358 C ARG A 24 31.147 19.639 6.264 1.00 1.00 C ATOM 359 O ARG A 24 31.741 18.555 6.362 1.00 1.00 O ATOM 360 CB ARG A 24 30.962 21.213 8.189 1.00 1.00 C ATOM 361 CG ARG A 24 32.007 20.649 9.154 1.00 1.00 C ATOM 362 CD ARG A 24 33.386 21.257 8.886 1.00 1.00 C ATOM 363 NE ARG A 24 34.140 21.380 10.153 1.00 1.00 N ATOM 364 CZ ARG A 24 35.433 21.761 10.231 1.00 1.00 C ATOM 365 NH1 ARG A 24 36.094 22.049 9.101 1.00 1.00 N ATOM 366 NH2 ARG A 24 36.046 21.849 11.419 1.00 1.00 N ATOM 0 H ARG A 24 29.988 19.168 9.281 1.00 1.00 H new ATOM 0 HA ARG A 24 29.310 20.475 7.053 1.00 1.00 H new ATOM 0 HB2 ARG A 24 31.442 21.892 7.484 1.00 1.00 H new ATOM 0 HB3 ARG A 24 30.227 21.796 8.744 1.00 1.00 H new ATOM 0 HG2 ARG A 24 31.708 20.856 10.181 1.00 1.00 H new ATOM 0 HG3 ARG A 24 32.057 19.565 9.049 1.00 1.00 H new ATOM 0 HD2 ARG A 24 33.938 20.632 8.184 1.00 1.00 H new ATOM 0 HD3 ARG A 24 33.276 22.237 8.422 1.00 1.00 H new ATOM 0 HE ARG A 24 33.652 21.163 11.022 1.00 1.00 H new ATOM 0 HH11 ARG A 24 35.620 21.979 8.201 1.00 1.00 H new ATOM 0 HH12 ARG A 24 37.071 22.338 9.141 1.00 1.00 H new ATOM 0 HH21 ARG A 24 35.536 21.627 12.274 1.00 1.00 H new ATOM 0 HH22 ARG A 24 37.023 22.138 11.469 1.00 1.00 H new ATOM 380 N GLY A 25 31.218 20.465 5.204 1.00 1.00 N ATOM 381 CA GLY A 25 32.026 20.153 4.037 1.00 1.00 C ATOM 382 C GLY A 25 31.309 20.646 2.779 1.00 1.00 C ATOM 383 O GLY A 25 30.811 19.806 2.016 1.00 1.00 O ATOM 0 H GLY A 25 30.720 21.353 5.143 1.00 1.00 H new ATOM 0 HA2 GLY A 25 33.004 20.626 4.121 1.00 1.00 H new ATOM 0 HA3 GLY A 25 32.196 19.078 3.975 1.00 1.00 H new ATOM 387 N TYR A 26 31.271 21.978 2.591 1.00 1.00 N ATOM 388 CA TYR A 26 30.601 22.511 1.417 1.00 1.00 C ATOM 389 C TYR A 26 31.286 21.977 0.157 1.00 1.00 C ATOM 390 O TYR A 26 32.510 22.141 0.046 1.00 1.00 O ATOM 391 CB TYR A 26 30.609 24.050 1.466 1.00 1.00 C ATOM 392 CG TYR A 26 30.005 24.645 2.730 1.00 1.00 C ATOM 393 CD1 TYR A 26 29.143 23.866 3.536 1.00 1.00 C ATOM 394 CD2 TYR A 26 30.306 25.973 3.111 1.00 1.00 C ATOM 395 CE1 TYR A 26 28.584 24.412 4.711 1.00 1.00 C ATOM 396 CE2 TYR A 26 29.747 26.519 4.285 1.00 1.00 C ATOM 397 CZ TYR A 26 28.884 25.739 5.087 1.00 1.00 C ATOM 398 OH TYR A 26 28.339 26.264 6.224 1.00 1.00 O ATOM 0 H TYR A 26 31.682 22.672 3.216 1.00 1.00 H new ATOM 0 HA TYR A 26 29.560 22.188 1.398 1.00 1.00 H new ATOM 0 HB2 TYR A 26 31.637 24.398 1.371 1.00 1.00 H new ATOM 0 HB3 TYR A 26 30.063 24.431 0.603 1.00 1.00 H new ATOM 0 HD1 TYR A 26 28.912 22.850 3.251 1.00 1.00 H new ATOM 0 HD2 TYR A 26 30.966 26.571 2.501 1.00 1.00 H new ATOM 0 HE1 TYR A 26 27.926 23.814 5.323 1.00 1.00 H new ATOM 0 HE2 TYR A 26 29.979 27.534 4.571 1.00 1.00 H new ATOM 0 HH TYR A 26 28.648 27.187 6.339 1.00 1.00 H new ATOM 408 N ILE A 27 30.506 21.354 -0.744 1.00 1.00 N ATOM 409 CA ILE A 27 31.044 20.795 -1.972 1.00 1.00 C ATOM 410 C ILE A 27 30.264 21.353 -3.165 1.00 1.00 C ATOM 411 O ILE A 27 30.252 20.700 -4.219 1.00 1.00 O ATOM 412 CB ILE A 27 31.056 19.267 -1.906 1.00 1.00 C ATOM 413 CG1 ILE A 27 31.429 18.782 -0.504 1.00 1.00 C ATOM 414 CG2 ILE A 27 31.973 18.678 -2.980 1.00 1.00 C ATOM 415 CD1 ILE A 27 30.236 18.111 0.180 1.00 1.00 C ATOM 0 H ILE A 27 29.500 21.231 -0.633 1.00 1.00 H new ATOM 0 HA ILE A 27 32.084 21.093 -2.102 1.00 1.00 H new ATOM 0 HB ILE A 27 30.048 18.908 -2.113 1.00 1.00 H new ATOM 0 HG12 ILE A 27 32.259 18.078 -0.568 1.00 1.00 H new ATOM 0 HG13 ILE A 27 31.771 19.625 0.097 1.00 1.00 H new ATOM 0 HG21 ILE A 27 31.963 17.590 -2.910 1.00 1.00 H new ATOM 0 HG22 ILE A 27 31.621 18.982 -3.966 1.00 1.00 H new ATOM 0 HG23 ILE A 27 32.990 19.042 -2.830 1.00 1.00 H new ATOM 0 HD11 ILE A 27 30.528 17.776 1.175 1.00 1.00 H new ATOM 0 HD12 ILE A 27 29.416 18.824 0.264 1.00 1.00 H new ATOM 0 HD13 ILE A 27 29.912 17.254 -0.411 1.00 1.00 H new ATOM 427 N THR A 28 29.639 22.529 -2.979 1.00 1.00 N ATOM 428 CA THR A 28 28.866 23.165 -4.032 1.00 1.00 C ATOM 429 C THR A 28 27.996 22.115 -4.725 1.00 1.00 C ATOM 430 O THR A 28 28.379 21.655 -5.811 1.00 1.00 O ATOM 431 CB THR A 28 29.829 23.879 -4.982 1.00 1.00 C ATOM 432 OG1 THR A 28 30.513 24.811 -4.148 1.00 1.00 O ATOM 433 CG2 THR A 28 29.102 24.757 -6.003 1.00 1.00 C ATOM 0 H THR A 28 29.661 23.050 -2.103 1.00 1.00 H new ATOM 0 HA THR A 28 28.187 23.918 -3.632 1.00 1.00 H new ATOM 0 HB THR A 28 30.436 23.140 -5.505 1.00 1.00 H new ATOM 0 HG1 THR A 28 31.159 25.316 -4.684 1.00 1.00 H new ATOM 0 HG21 THR A 28 29.832 25.241 -6.652 1.00 1.00 H new ATOM 0 HG22 THR A 28 28.434 24.140 -6.604 1.00 1.00 H new ATOM 0 HG23 THR A 28 28.521 25.517 -5.481 1.00 1.00 H new ATOM 441 N ARG A 29 26.861 21.762 -4.095 1.00 1.00 N ATOM 442 CA ARG A 29 25.948 20.776 -4.648 1.00 1.00 C ATOM 443 C ARG A 29 24.677 21.478 -5.130 1.00 1.00 C ATOM 444 O ARG A 29 24.473 22.644 -4.764 1.00 1.00 O ATOM 445 CB ARG A 29 25.575 19.711 -3.615 1.00 1.00 C ATOM 446 CG ARG A 29 26.812 18.940 -3.151 1.00 1.00 C ATOM 447 CD ARG A 29 27.474 18.211 -4.322 1.00 1.00 C ATOM 448 NE ARG A 29 28.666 17.471 -3.850 1.00 1.00 N ATOM 449 CZ ARG A 29 28.645 16.184 -3.440 1.00 1.00 C ATOM 450 NH1 ARG A 29 27.483 15.517 -3.455 1.00 1.00 N ATOM 451 NH2 ARG A 29 29.769 15.584 -3.026 1.00 1.00 N ATOM 0 H ARG A 29 26.564 22.153 -3.201 1.00 1.00 H new ATOM 0 HA ARG A 29 26.449 20.281 -5.480 1.00 1.00 H new ATOM 0 HB2 ARG A 29 25.094 20.183 -2.758 1.00 1.00 H new ATOM 0 HB3 ARG A 29 24.851 19.019 -4.046 1.00 1.00 H new ATOM 0 HG2 ARG A 29 27.525 19.628 -2.697 1.00 1.00 H new ATOM 0 HG3 ARG A 29 26.530 18.220 -2.383 1.00 1.00 H new ATOM 0 HD2 ARG A 29 26.765 17.521 -4.779 1.00 1.00 H new ATOM 0 HD3 ARG A 29 27.762 18.928 -5.091 1.00 1.00 H new ATOM 0 HE ARG A 29 29.559 17.964 -3.833 1.00 1.00 H new ATOM 0 HH11 ARG A 29 26.632 15.982 -3.773 1.00 1.00 H new ATOM 0 HH12 ARG A 29 27.449 14.545 -3.149 1.00 1.00 H new ATOM 0 HH21 ARG A 29 30.649 16.099 -3.019 1.00 1.00 H new ATOM 0 HH22 ARG A 29 29.745 14.612 -2.718 1.00 1.00 H new ATOM 465 N TYR A 30 23.861 20.765 -5.927 1.00 1.00 N ATOM 466 CA TYR A 30 22.639 21.376 -6.422 1.00 1.00 C ATOM 467 C TYR A 30 21.433 20.620 -5.861 1.00 1.00 C ATOM 468 O TYR A 30 21.615 19.475 -5.424 1.00 1.00 O ATOM 469 CB TYR A 30 22.646 21.384 -7.962 1.00 1.00 C ATOM 470 CG TYR A 30 23.834 22.104 -8.584 1.00 1.00 C ATOM 471 CD1 TYR A 30 25.146 21.610 -8.401 1.00 1.00 C ATOM 472 CD2 TYR A 30 23.630 23.277 -9.346 1.00 1.00 C ATOM 473 CE1 TYR A 30 26.244 22.282 -8.977 1.00 1.00 C ATOM 474 CE2 TYR A 30 24.728 23.950 -9.922 1.00 1.00 C ATOM 475 CZ TYR A 30 26.036 23.453 -9.739 1.00 1.00 C ATOM 476 OH TYR A 30 27.097 24.106 -10.300 1.00 1.00 O ATOM 0 H TYR A 30 24.025 19.804 -6.227 1.00 1.00 H new ATOM 0 HA TYR A 30 22.574 22.412 -6.089 1.00 1.00 H new ATOM 0 HB2 TYR A 30 22.635 20.354 -8.318 1.00 1.00 H new ATOM 0 HB3 TYR A 30 21.728 21.853 -8.314 1.00 1.00 H new ATOM 0 HD1 TYR A 30 25.308 20.715 -7.818 1.00 1.00 H new ATOM 0 HD2 TYR A 30 22.630 23.659 -9.488 1.00 1.00 H new ATOM 0 HE1 TYR A 30 27.245 21.901 -8.835 1.00 1.00 H new ATOM 0 HE2 TYR A 30 24.567 24.846 -10.503 1.00 1.00 H new ATOM 0 HH TYR A 30 26.773 24.737 -10.976 1.00 1.00 H new ATOM 486 N PHE A 31 20.251 21.262 -5.874 1.00 1.00 N ATOM 487 CA PHE A 31 19.037 20.651 -5.359 1.00 1.00 C ATOM 488 C PHE A 31 17.823 21.281 -6.045 1.00 1.00 C ATOM 489 O PHE A 31 17.875 22.482 -6.349 1.00 1.00 O ATOM 490 CB PHE A 31 18.972 20.860 -3.833 1.00 1.00 C ATOM 491 CG PHE A 31 18.484 22.236 -3.401 1.00 1.00 C ATOM 492 CD1 PHE A 31 19.335 23.359 -3.520 1.00 1.00 C ATOM 493 CD2 PHE A 31 17.178 22.401 -2.884 1.00 1.00 C ATOM 494 CE1 PHE A 31 18.884 24.636 -3.124 1.00 1.00 C ATOM 495 CE2 PHE A 31 16.728 23.679 -2.488 1.00 1.00 C ATOM 496 CZ PHE A 31 17.581 24.796 -2.608 1.00 1.00 C ATOM 0 H PHE A 31 20.123 22.206 -6.239 1.00 1.00 H new ATOM 0 HA PHE A 31 19.037 19.581 -5.566 1.00 1.00 H new ATOM 0 HB2 PHE A 31 18.314 20.105 -3.404 1.00 1.00 H new ATOM 0 HB3 PHE A 31 19.964 20.693 -3.414 1.00 1.00 H new ATOM 0 HD1 PHE A 31 20.333 23.239 -3.915 1.00 1.00 H new ATOM 0 HD2 PHE A 31 16.523 21.547 -2.792 1.00 1.00 H new ATOM 0 HE1 PHE A 31 19.537 25.491 -3.216 1.00 1.00 H new ATOM 0 HE2 PHE A 31 15.730 23.802 -2.093 1.00 1.00 H new ATOM 0 HZ PHE A 31 17.236 25.774 -2.305 1.00 1.00 H new ATOM 506 N TYR A 32 16.773 20.473 -6.272 1.00 1.00 N ATOM 507 CA TYR A 32 15.590 21.009 -6.924 1.00 1.00 C ATOM 508 C TYR A 32 14.749 21.771 -5.898 1.00 1.00 C ATOM 509 O TYR A 32 14.229 21.126 -4.976 1.00 1.00 O ATOM 510 CB TYR A 32 14.795 19.867 -7.583 1.00 1.00 C ATOM 511 CG TYR A 32 13.818 20.318 -8.660 1.00 1.00 C ATOM 512 CD1 TYR A 32 14.256 20.504 -9.991 1.00 1.00 C ATOM 513 CD2 TYR A 32 12.464 20.558 -8.330 1.00 1.00 C ATOM 514 CE1 TYR A 32 13.347 20.926 -10.985 1.00 1.00 C ATOM 515 CE2 TYR A 32 11.555 20.979 -9.323 1.00 1.00 C ATOM 516 CZ TYR A 32 11.995 21.162 -10.652 1.00 1.00 C ATOM 517 OH TYR A 32 11.111 21.569 -11.611 1.00 1.00 O ATOM 0 H TYR A 32 16.727 19.485 -6.021 1.00 1.00 H new ATOM 0 HA TYR A 32 15.877 21.706 -7.711 1.00 1.00 H new ATOM 0 HB2 TYR A 32 15.497 19.158 -8.021 1.00 1.00 H new ATOM 0 HB3 TYR A 32 14.243 19.332 -6.810 1.00 1.00 H new ATOM 0 HD1 TYR A 32 15.289 20.323 -10.248 1.00 1.00 H new ATOM 0 HD2 TYR A 32 12.125 20.418 -7.314 1.00 1.00 H new ATOM 0 HE1 TYR A 32 13.686 21.068 -12.001 1.00 1.00 H new ATOM 0 HE2 TYR A 32 10.522 21.161 -9.067 1.00 1.00 H new ATOM 0 HH TYR A 32 11.411 22.421 -11.992 1.00 1.00 H new ATOM 527 N ASN A 33 14.640 23.101 -6.067 1.00 1.00 N ATOM 528 CA ASN A 33 13.878 23.934 -5.152 1.00 1.00 C ATOM 529 C ASN A 33 12.481 24.172 -5.730 1.00 1.00 C ATOM 530 O ASN A 33 12.387 24.709 -6.843 1.00 1.00 O ATOM 531 CB ASN A 33 14.547 25.295 -4.957 1.00 1.00 C ATOM 532 CG ASN A 33 13.644 26.243 -4.164 1.00 1.00 C ATOM 533 OD1 ASN A 33 12.691 25.838 -3.519 1.00 1.00 O ATOM 534 ND2 ASN A 33 13.996 27.522 -4.248 1.00 1.00 N ATOM 0 H ASN A 33 15.076 23.612 -6.835 1.00 1.00 H new ATOM 0 HA ASN A 33 13.824 23.419 -4.193 1.00 1.00 H new ATOM 0 HB2 ASN A 33 15.494 25.167 -4.433 1.00 1.00 H new ATOM 0 HB3 ASN A 33 14.777 25.734 -5.928 1.00 1.00 H new ATOM 0 HD21 ASN A 33 13.456 28.233 -3.754 1.00 1.00 H new ATOM 0 HD22 ASN A 33 14.806 27.792 -4.806 1.00 1.00 H new ATOM 541 N ASN A 34 11.441 23.775 -4.975 1.00 1.00 N ATOM 542 CA ASN A 34 10.065 23.944 -5.409 1.00 1.00 C ATOM 543 C ASN A 34 9.752 25.437 -5.527 1.00 1.00 C ATOM 544 O ASN A 34 8.990 25.810 -6.431 1.00 1.00 O ATOM 545 CB ASN A 34 9.090 23.335 -4.399 1.00 1.00 C ATOM 546 CG ASN A 34 7.655 23.785 -4.683 1.00 1.00 C ATOM 547 OD1 ASN A 34 7.194 23.799 -5.812 1.00 1.00 O ATOM 548 ND2 ASN A 34 6.979 24.150 -3.598 1.00 1.00 N ATOM 0 H ASN A 34 11.540 23.335 -4.060 1.00 1.00 H new ATOM 0 HA ASN A 34 9.950 23.441 -6.369 1.00 1.00 H new ATOM 0 HB2 ASN A 34 9.149 22.247 -4.441 1.00 1.00 H new ATOM 0 HB3 ASN A 34 9.375 23.631 -3.389 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.013 24.466 -3.681 1.00 1.00 H new ATOM 0 HD22 ASN A 34 7.426 24.114 -2.682 1.00 1.00 H new ATOM 555 N GLN A 35 10.336 26.248 -4.627 1.00 1.00 N ATOM 556 CA GLN A 35 10.121 27.685 -4.630 1.00 1.00 C ATOM 557 C GLN A 35 10.552 28.257 -5.983 1.00 1.00 C ATOM 558 O GLN A 35 10.119 29.370 -6.317 1.00 1.00 O ATOM 559 CB GLN A 35 10.868 28.368 -3.483 1.00 1.00 C ATOM 560 CG GLN A 35 9.905 29.161 -2.597 1.00 1.00 C ATOM 561 CD GLN A 35 10.481 30.537 -2.256 1.00 1.00 C ATOM 562 OE1 GLN A 35 11.672 30.707 -2.057 1.00 1.00 O ATOM 563 NE2 GLN A 35 9.571 31.505 -2.198 1.00 1.00 N ATOM 0 H GLN A 35 10.961 25.920 -3.890 1.00 1.00 H new ATOM 0 HA GLN A 35 9.060 27.880 -4.477 1.00 1.00 H new ATOM 0 HB2 GLN A 35 11.386 27.619 -2.884 1.00 1.00 H new ATOM 0 HB3 GLN A 35 11.630 29.035 -3.887 1.00 1.00 H new ATOM 0 HG2 GLN A 35 8.949 29.279 -3.107 1.00 1.00 H new ATOM 0 HG3 GLN A 35 9.710 28.607 -1.679 1.00 1.00 H new ATOM 0 HE21 GLN A 35 8.589 31.293 -2.376 1.00 1.00 H new ATOM 0 HE22 GLN A 35 9.855 32.459 -1.976 1.00 1.00 H new ATOM 572 N THR A 36 11.382 27.499 -6.721 1.00 1.00 N ATOM 573 CA THR A 36 11.864 27.928 -8.023 1.00 1.00 C ATOM 574 C THR A 36 11.620 26.815 -9.044 1.00 1.00 C ATOM 575 O THR A 36 12.124 26.929 -10.171 1.00 1.00 O ATOM 576 CB THR A 36 13.336 28.322 -7.892 1.00 1.00 C ATOM 577 OG1 THR A 36 13.298 29.615 -7.296 1.00 1.00 O ATOM 578 CG2 THR A 36 14.002 28.557 -9.250 1.00 1.00 C ATOM 0 H THR A 36 11.727 26.585 -6.427 1.00 1.00 H new ATOM 0 HA THR A 36 11.324 28.804 -8.383 1.00 1.00 H new ATOM 0 HB THR A 36 13.874 27.542 -7.354 1.00 1.00 H new ATOM 0 HG1 THR A 36 14.212 29.946 -7.173 1.00 1.00 H new ATOM 0 HG21 THR A 36 15.046 28.834 -9.100 1.00 1.00 H new ATOM 0 HG22 THR A 36 13.950 27.644 -9.843 1.00 1.00 H new ATOM 0 HG23 THR A 36 13.485 29.360 -9.775 1.00 1.00 H new ATOM 586 N LYS A 37 10.866 25.778 -8.637 1.00 1.00 N ATOM 587 CA LYS A 37 10.561 24.658 -9.511 1.00 1.00 C ATOM 588 C LYS A 37 11.756 24.394 -10.430 1.00 1.00 C ATOM 589 O LYS A 37 11.538 24.164 -11.628 1.00 1.00 O ATOM 590 CB LYS A 37 9.251 24.905 -10.261 1.00 1.00 C ATOM 591 CG LYS A 37 8.044 24.631 -9.361 1.00 1.00 C ATOM 592 CD LYS A 37 7.169 25.878 -9.223 1.00 1.00 C ATOM 593 CE LYS A 37 8.020 27.116 -8.934 1.00 1.00 C ATOM 594 NZ LYS A 37 7.249 28.102 -8.160 1.00 1.00 N ATOM 0 H LYS A 37 10.461 25.703 -7.704 1.00 1.00 H new ATOM 0 HA LYS A 37 10.401 23.752 -8.927 1.00 1.00 H new ATOM 0 HB2 LYS A 37 9.219 25.936 -10.615 1.00 1.00 H new ATOM 0 HB3 LYS A 37 9.206 24.264 -11.142 1.00 1.00 H new ATOM 0 HG2 LYS A 37 7.455 23.813 -9.776 1.00 1.00 H new ATOM 0 HG3 LYS A 37 8.385 24.311 -8.376 1.00 1.00 H new ATOM 0 HD2 LYS A 37 6.599 26.030 -10.140 1.00 1.00 H new ATOM 0 HD3 LYS A 37 6.447 25.733 -8.419 1.00 1.00 H new ATOM 0 HE2 LYS A 37 8.914 26.829 -8.380 1.00 1.00 H new ATOM 0 HE3 LYS A 37 8.355 27.561 -9.871 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 7.841 28.936 -7.972 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 6.409 28.389 -8.702 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 6.951 27.679 -7.258 1.00 1.00 H new ATOM 608 N GLN A 38 12.974 24.431 -9.860 1.00 1.00 N ATOM 609 CA GLN A 38 14.188 24.198 -10.624 1.00 1.00 C ATOM 610 C GLN A 38 15.295 23.722 -9.680 1.00 1.00 C ATOM 611 O GLN A 38 14.978 23.347 -8.542 1.00 1.00 O ATOM 612 CB GLN A 38 14.621 25.451 -11.388 1.00 1.00 C ATOM 613 CG GLN A 38 14.358 25.296 -12.888 1.00 1.00 C ATOM 614 CD GLN A 38 13.081 26.032 -13.299 1.00 1.00 C ATOM 615 OE1 GLN A 38 12.527 26.829 -12.559 1.00 1.00 O ATOM 616 NE2 GLN A 38 12.646 25.722 -14.517 1.00 1.00 N ATOM 0 H GLN A 38 13.132 24.621 -8.870 1.00 1.00 H new ATOM 0 HA GLN A 38 13.991 23.426 -11.367 1.00 1.00 H new ATOM 0 HB2 GLN A 38 14.081 26.318 -11.008 1.00 1.00 H new ATOM 0 HB3 GLN A 38 15.682 25.637 -11.218 1.00 1.00 H new ATOM 0 HG2 GLN A 38 15.205 25.687 -13.452 1.00 1.00 H new ATOM 0 HG3 GLN A 38 14.269 24.239 -13.138 1.00 1.00 H new ATOM 0 HE21 GLN A 38 13.158 25.046 -15.085 1.00 1.00 H new ATOM 0 HE22 GLN A 38 11.801 26.160 -14.884 1.00 1.00 H new ATOM 625 N CYS A 39 16.550 23.747 -10.163 1.00 1.00 N ATOM 626 CA CYS A 39 17.689 23.321 -9.368 1.00 1.00 C ATOM 627 C CYS A 39 18.509 24.547 -8.963 1.00 1.00 C ATOM 628 O CYS A 39 18.924 25.301 -9.856 1.00 1.00 O ATOM 629 CB CYS A 39 18.534 22.292 -10.122 1.00 1.00 C ATOM 630 SG CYS A 39 17.822 20.622 -10.190 1.00 1.00 S ATOM 0 H CYS A 39 16.789 24.060 -11.104 1.00 1.00 H new ATOM 0 HA CYS A 39 17.334 22.828 -8.463 1.00 1.00 H new ATOM 0 HB2 CYS A 39 18.689 22.647 -11.141 1.00 1.00 H new ATOM 0 HB3 CYS A 39 19.516 22.234 -9.651 1.00 1.00 H new ATOM 636 N GLU A 40 18.724 24.720 -7.647 1.00 1.00 N ATOM 637 CA GLU A 40 19.488 25.844 -7.132 1.00 1.00 C ATOM 638 C GLU A 40 20.791 25.330 -6.516 1.00 1.00 C ATOM 639 O GLU A 40 20.773 24.243 -5.920 1.00 1.00 O ATOM 640 CB GLU A 40 18.681 26.652 -6.113 1.00 1.00 C ATOM 641 CG GLU A 40 18.371 28.052 -6.646 1.00 1.00 C ATOM 642 CD GLU A 40 19.262 29.102 -5.978 1.00 1.00 C ATOM 643 OE1 GLU A 40 19.788 28.862 -4.881 1.00 1.00 O ATOM 644 OE2 GLU A 40 19.400 30.200 -6.640 1.00 1.00 O ATOM 0 H GLU A 40 18.374 24.087 -6.928 1.00 1.00 H new ATOM 0 HA GLU A 40 19.721 26.516 -7.958 1.00 1.00 H new ATOM 0 HB2 GLU A 40 17.751 26.131 -5.885 1.00 1.00 H new ATOM 0 HB3 GLU A 40 19.240 26.729 -5.180 1.00 1.00 H new ATOM 0 HG2 GLU A 40 18.521 28.076 -7.725 1.00 1.00 H new ATOM 0 HG3 GLU A 40 17.323 28.290 -6.465 1.00 1.00 H new ATOM 651 N ARG A 41 21.877 26.109 -6.669 1.00 1.00 N ATOM 652 CA ARG A 41 23.174 25.735 -6.132 1.00 1.00 C ATOM 653 C ARG A 41 23.179 25.961 -4.619 1.00 1.00 C ATOM 654 O ARG A 41 23.080 27.122 -4.196 1.00 1.00 O ATOM 655 CB ARG A 41 24.303 26.550 -6.766 1.00 1.00 C ATOM 656 CG ARG A 41 25.286 25.642 -7.508 1.00 1.00 C ATOM 657 CD ARG A 41 25.911 26.368 -8.701 1.00 1.00 C ATOM 658 NE ARG A 41 26.318 27.735 -8.304 1.00 1.00 N ATOM 659 CZ ARG A 41 26.582 28.729 -9.178 1.00 1.00 C ATOM 660 NH1 ARG A 41 26.474 28.486 -10.491 1.00 1.00 N ATOM 661 NH2 ARG A 41 26.946 29.942 -8.739 1.00 1.00 N ATOM 0 H ARG A 41 21.870 27.001 -7.163 1.00 1.00 H new ATOM 0 HA ARG A 41 23.344 24.683 -6.362 1.00 1.00 H new ATOM 0 HB2 ARG A 41 23.884 27.281 -7.458 1.00 1.00 H new ATOM 0 HB3 ARG A 41 24.831 27.109 -5.993 1.00 1.00 H new ATOM 0 HG2 ARG A 41 26.070 25.315 -6.825 1.00 1.00 H new ATOM 0 HG3 ARG A 41 24.770 24.746 -7.853 1.00 1.00 H new ATOM 0 HD2 ARG A 41 26.776 25.813 -9.063 1.00 1.00 H new ATOM 0 HD3 ARG A 41 25.197 26.416 -9.523 1.00 1.00 H new ATOM 0 HE ARG A 41 26.404 27.938 -7.308 1.00 1.00 H new ATOM 0 HH11 ARG A 41 26.196 27.560 -10.817 1.00 1.00 H new ATOM 0 HH12 ARG A 41 26.670 29.227 -11.165 1.00 1.00 H new ATOM 0 HH21 ARG A 41 27.025 30.119 -7.738 1.00 1.00 H new ATOM 0 HH22 ARG A 41 27.144 30.688 -9.406 1.00 1.00 H new ATOM 675 N PHE A 42 23.293 24.866 -3.847 1.00 1.00 N ATOM 676 CA PHE A 42 23.311 24.945 -2.396 1.00 1.00 C ATOM 677 C PHE A 42 24.537 24.200 -1.864 1.00 1.00 C ATOM 678 O PHE A 42 24.968 23.235 -2.512 1.00 1.00 O ATOM 679 CB PHE A 42 22.013 24.330 -1.839 1.00 1.00 C ATOM 680 CG PHE A 42 22.075 22.827 -1.597 1.00 1.00 C ATOM 681 CD1 PHE A 42 22.089 21.933 -2.692 1.00 1.00 C ATOM 682 CD2 PHE A 42 22.125 22.317 -0.278 1.00 1.00 C ATOM 683 CE1 PHE A 42 22.150 20.541 -2.471 1.00 1.00 C ATOM 684 CE2 PHE A 42 22.187 20.924 -0.059 1.00 1.00 C ATOM 685 CZ PHE A 42 22.199 20.036 -1.155 1.00 1.00 C ATOM 0 H PHE A 42 23.374 23.918 -4.216 1.00 1.00 H new ATOM 0 HA PHE A 42 23.370 25.985 -2.076 1.00 1.00 H new ATOM 0 HB2 PHE A 42 21.765 24.826 -0.900 1.00 1.00 H new ATOM 0 HB3 PHE A 42 21.200 24.539 -2.534 1.00 1.00 H new ATOM 0 HD1 PHE A 42 22.053 22.317 -3.701 1.00 1.00 H new ATOM 0 HD2 PHE A 42 22.116 22.995 0.563 1.00 1.00 H new ATOM 0 HE1 PHE A 42 22.159 19.861 -3.310 1.00 1.00 H new ATOM 0 HE2 PHE A 42 22.225 20.538 0.949 1.00 1.00 H new ATOM 0 HZ PHE A 42 22.246 18.970 -0.987 1.00 1.00 H new ATOM 695 N LYS A 43 25.066 24.655 -0.714 1.00 1.00 N ATOM 696 CA LYS A 43 26.230 24.036 -0.104 1.00 1.00 C ATOM 697 C LYS A 43 25.863 22.630 0.375 1.00 1.00 C ATOM 698 O LYS A 43 24.669 22.371 0.582 1.00 1.00 O ATOM 699 CB LYS A 43 26.796 24.933 0.999 1.00 1.00 C ATOM 700 CG LYS A 43 27.996 25.734 0.491 1.00 1.00 C ATOM 701 CD LYS A 43 27.559 27.103 -0.034 1.00 1.00 C ATOM 702 CE LYS A 43 27.130 28.020 1.113 1.00 1.00 C ATOM 703 NZ LYS A 43 26.787 29.357 0.603 1.00 1.00 N ATOM 0 H LYS A 43 24.696 25.452 -0.196 1.00 1.00 H new ATOM 0 HA LYS A 43 27.030 23.925 -0.836 1.00 1.00 H new ATOM 0 HB2 LYS A 43 26.022 25.615 1.352 1.00 1.00 H new ATOM 0 HB3 LYS A 43 27.096 24.323 1.851 1.00 1.00 H new ATOM 0 HG2 LYS A 43 28.719 25.863 1.297 1.00 1.00 H new ATOM 0 HG3 LYS A 43 28.498 25.180 -0.302 1.00 1.00 H new ATOM 0 HD2 LYS A 43 28.379 27.564 -0.585 1.00 1.00 H new ATOM 0 HD3 LYS A 43 26.733 26.981 -0.735 1.00 1.00 H new ATOM 0 HE2 LYS A 43 26.272 27.590 1.629 1.00 1.00 H new ATOM 0 HE3 LYS A 43 27.935 28.099 1.844 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 26.498 29.967 1.394 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 27.616 29.772 0.131 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 26.004 29.279 -0.077 1.00 1.00 H new ATOM 717 N TYR A 44 26.880 21.765 0.538 1.00 1.00 N ATOM 718 CA TYR A 44 26.598 20.412 0.986 1.00 1.00 C ATOM 719 C TYR A 44 27.488 20.080 2.185 1.00 1.00 C ATOM 720 O TYR A 44 28.302 19.152 2.068 1.00 1.00 O ATOM 721 CB TYR A 44 26.808 19.423 -0.175 1.00 1.00 C ATOM 722 CG TYR A 44 26.695 17.956 0.216 1.00 1.00 C ATOM 723 CD1 TYR A 44 25.940 17.583 1.351 1.00 1.00 C ATOM 724 CD2 TYR A 44 27.338 16.959 -0.553 1.00 1.00 C ATOM 725 CE1 TYR A 44 25.830 16.225 1.716 1.00 1.00 C ATOM 726 CE2 TYR A 44 27.228 15.600 -0.188 1.00 1.00 C ATOM 727 CZ TYR A 44 26.474 15.232 0.948 1.00 1.00 C ATOM 728 OH TYR A 44 26.366 13.918 1.305 1.00 1.00 O ATOM 0 H TYR A 44 27.864 21.977 0.371 1.00 1.00 H new ATOM 0 HA TYR A 44 25.558 20.330 1.304 1.00 1.00 H new ATOM 0 HB2 TYR A 44 26.075 19.636 -0.954 1.00 1.00 H new ATOM 0 HB3 TYR A 44 27.793 19.595 -0.609 1.00 1.00 H new ATOM 0 HD1 TYR A 44 25.445 18.340 1.941 1.00 1.00 H new ATOM 0 HD2 TYR A 44 27.915 17.238 -1.422 1.00 1.00 H new ATOM 0 HE1 TYR A 44 25.252 15.945 2.584 1.00 1.00 H new ATOM 0 HE2 TYR A 44 27.721 14.841 -0.778 1.00 1.00 H new ATOM 0 HH TYR A 44 26.868 13.364 0.671 1.00 1.00 H new ATOM 789 N ASN A 50 20.072 13.552 2.587 1.00 1.00 N ATOM 790 CA ASN A 50 18.997 12.793 1.971 1.00 1.00 C ATOM 791 C ASN A 50 19.176 12.806 0.451 1.00 1.00 C ATOM 792 O ASN A 50 20.163 13.387 -0.022 1.00 1.00 O ATOM 793 CB ASN A 50 17.634 13.410 2.292 1.00 1.00 C ATOM 794 CG ASN A 50 17.621 14.907 1.976 1.00 1.00 C ATOM 795 OD1 ASN A 50 18.532 15.448 1.372 1.00 1.00 O ATOM 796 ND2 ASN A 50 16.539 15.543 2.417 1.00 1.00 N ATOM 0 HA ASN A 50 19.034 11.776 2.362 1.00 1.00 H new ATOM 0 HB2 ASN A 50 16.858 12.906 1.715 1.00 1.00 H new ATOM 0 HB3 ASN A 50 17.400 13.255 3.345 1.00 1.00 H new ATOM 0 HD21 ASN A 50 16.435 16.545 2.256 1.00 1.00 H new ATOM 0 HD22 ASN A 50 15.813 15.029 2.916 1.00 1.00 H new ATOM 803 N MET A 51 18.232 12.175 -0.271 1.00 1.00 N ATOM 804 CA MET A 51 18.286 12.114 -1.722 1.00 1.00 C ATOM 805 C MET A 51 18.529 13.519 -2.278 1.00 1.00 C ATOM 806 O MET A 51 19.467 13.684 -3.072 1.00 1.00 O ATOM 807 CB MET A 51 16.972 11.564 -2.280 1.00 1.00 C ATOM 808 CG MET A 51 17.046 10.047 -2.460 1.00 1.00 C ATOM 809 SD MET A 51 17.246 9.238 -0.846 1.00 1.00 S ATOM 810 CE MET A 51 17.790 7.590 -1.384 1.00 1.00 C ATOM 0 H MET A 51 17.426 11.703 0.139 1.00 1.00 H new ATOM 0 HA MET A 51 19.099 11.452 -2.020 1.00 1.00 H new ATOM 0 HB2 MET A 51 16.153 11.814 -1.606 1.00 1.00 H new ATOM 0 HB3 MET A 51 16.753 12.037 -3.237 1.00 1.00 H new ATOM 0 HG2 MET A 51 16.140 9.686 -2.947 1.00 1.00 H new ATOM 0 HG3 MET A 51 17.882 9.790 -3.111 1.00 1.00 H new ATOM 0 HE1 MET A 51 17.960 6.960 -0.511 1.00 1.00 H new ATOM 0 HE2 MET A 51 17.021 7.140 -2.012 1.00 1.00 H new ATOM 0 HE3 MET A 51 18.716 7.680 -1.952 1.00 1.00 H new ATOM 820 N ASN A 52 17.694 14.486 -1.858 1.00 1.00 N ATOM 821 CA ASN A 52 17.818 15.861 -2.311 1.00 1.00 C ATOM 822 C ASN A 52 19.251 16.342 -2.080 1.00 1.00 C ATOM 823 O ASN A 52 19.532 16.857 -0.988 1.00 1.00 O ATOM 824 CB ASN A 52 16.878 16.784 -1.533 1.00 1.00 C ATOM 825 CG ASN A 52 17.050 18.239 -1.973 1.00 1.00 C ATOM 826 OD1 ASN A 52 18.019 18.903 -1.645 1.00 1.00 O ATOM 827 ND2 ASN A 52 16.058 18.695 -2.733 1.00 1.00 N ATOM 0 H ASN A 52 16.928 14.328 -1.204 1.00 1.00 H new ATOM 0 HA ASN A 52 17.559 15.892 -3.369 1.00 1.00 H new ATOM 0 HB2 ASN A 52 15.845 16.473 -1.690 1.00 1.00 H new ATOM 0 HB3 ASN A 52 17.079 16.697 -0.465 1.00 1.00 H new ATOM 0 HD21 ASN A 52 16.080 19.654 -3.078 1.00 1.00 H new ATOM 0 HD22 ASN A 52 15.276 18.085 -2.970 1.00 1.00 H new ATOM 834 N ASN A 53 20.116 16.169 -3.096 1.00 1.00 N ATOM 835 CA ASN A 53 21.505 16.583 -3.005 1.00 1.00 C ATOM 836 C ASN A 53 22.268 16.070 -4.228 1.00 1.00 C ATOM 837 O ASN A 53 22.729 14.920 -4.195 1.00 1.00 O ATOM 838 CB ASN A 53 22.171 16.004 -1.755 1.00 1.00 C ATOM 839 CG ASN A 53 23.684 15.878 -1.948 1.00 1.00 C ATOM 840 OD1 ASN A 53 24.229 16.888 -2.620 1.00 1.00 O flip ATOM 841 ND2 ASN A 53 24.314 14.927 -1.515 1.00 1.00 N flip ATOM 0 H ASN A 53 19.864 15.742 -3.988 1.00 1.00 H new ATOM 0 HA ASN A 53 21.530 17.672 -2.956 1.00 1.00 H new ATOM 0 HB2 ASN A 53 21.962 16.644 -0.898 1.00 1.00 H new ATOM 0 HB3 ASN A 53 21.746 15.025 -1.533 1.00 1.00 H new ATOM 0 HD21 ASN A 53 23.833 14.185 -1.007 1.00 1.00 H new ATOM 0 HD22 ASN A 53 25.322 14.874 -1.661 1.00 1.00 H new ATOM 848 N PHE A 54 22.383 16.918 -5.265 1.00 1.00 N ATOM 849 CA PHE A 54 23.084 16.553 -6.484 1.00 1.00 C ATOM 850 C PHE A 54 24.413 17.306 -6.549 1.00 1.00 C ATOM 851 O PHE A 54 24.588 18.262 -5.779 1.00 1.00 O ATOM 852 CB PHE A 54 22.200 16.897 -7.699 1.00 1.00 C ATOM 853 CG PHE A 54 20.806 16.286 -7.664 1.00 1.00 C ATOM 854 CD1 PHE A 54 20.585 14.992 -8.190 1.00 1.00 C ATOM 855 CD2 PHE A 54 19.725 17.003 -7.099 1.00 1.00 C ATOM 856 CE1 PHE A 54 19.295 14.422 -8.155 1.00 1.00 C ATOM 857 CE2 PHE A 54 18.435 16.432 -7.064 1.00 1.00 C ATOM 858 CZ PHE A 54 18.220 15.142 -7.592 1.00 1.00 C ATOM 0 H PHE A 54 21.994 17.861 -5.272 1.00 1.00 H new ATOM 0 HA PHE A 54 23.291 15.483 -6.493 1.00 1.00 H new ATOM 0 HB2 PHE A 54 22.105 17.981 -7.767 1.00 1.00 H new ATOM 0 HB3 PHE A 54 22.706 16.563 -8.605 1.00 1.00 H new ATOM 0 HD1 PHE A 54 21.407 14.438 -8.620 1.00 1.00 H new ATOM 0 HD2 PHE A 54 19.888 17.991 -6.693 1.00 1.00 H new ATOM 0 HE1 PHE A 54 19.130 13.434 -8.559 1.00 1.00 H new ATOM 0 HE2 PHE A 54 17.612 16.983 -6.633 1.00 1.00 H new ATOM 0 HZ PHE A 54 17.233 14.705 -7.565 1.00 1.00 H new ATOM 868 N GLU A 55 25.310 16.869 -7.452 1.00 1.00 N ATOM 869 CA GLU A 55 26.610 17.498 -7.613 1.00 1.00 C ATOM 870 C GLU A 55 26.570 18.441 -8.818 1.00 1.00 C ATOM 871 O GLU A 55 27.253 19.475 -8.780 1.00 1.00 O ATOM 872 CB GLU A 55 27.722 16.459 -7.767 1.00 1.00 C ATOM 873 CG GLU A 55 27.602 15.366 -6.703 1.00 1.00 C ATOM 874 CD GLU A 55 28.811 14.429 -6.741 1.00 1.00 C ATOM 875 OE1 GLU A 55 29.958 14.892 -6.644 1.00 1.00 O ATOM 876 OE2 GLU A 55 28.528 13.178 -6.875 1.00 1.00 O ATOM 0 H GLU A 55 25.146 16.080 -8.077 1.00 1.00 H new ATOM 0 HA GLU A 55 26.834 18.072 -6.714 1.00 1.00 H new ATOM 0 HB2 GLU A 55 27.672 16.012 -8.760 1.00 1.00 H new ATOM 0 HB3 GLU A 55 28.694 16.946 -7.685 1.00 1.00 H new ATOM 0 HG2 GLU A 55 27.521 15.822 -5.716 1.00 1.00 H new ATOM 0 HG3 GLU A 55 26.689 14.794 -6.866 1.00 1.00 H new ATOM 883 N THR A 56 25.783 18.072 -9.845 1.00 1.00 N ATOM 884 CA THR A 56 25.658 18.879 -11.046 1.00 1.00 C ATOM 885 C THR A 56 24.202 19.320 -11.209 1.00 1.00 C ATOM 886 O THR A 56 23.308 18.576 -10.779 1.00 1.00 O ATOM 887 CB THR A 56 26.184 18.072 -12.234 1.00 1.00 C ATOM 888 OG1 THR A 56 25.940 16.717 -11.869 1.00 1.00 O ATOM 889 CG2 THR A 56 27.706 18.153 -12.368 1.00 1.00 C ATOM 0 H THR A 56 25.228 17.216 -9.855 1.00 1.00 H new ATOM 0 HA THR A 56 26.255 19.789 -10.982 1.00 1.00 H new ATOM 0 HB THR A 56 25.719 18.432 -13.152 1.00 1.00 H new ATOM 0 HG1 THR A 56 26.250 16.124 -12.585 1.00 1.00 H new ATOM 0 HG21 THR A 56 28.028 17.563 -13.226 1.00 1.00 H new ATOM 0 HG22 THR A 56 28.004 19.192 -12.510 1.00 1.00 H new ATOM 0 HG23 THR A 56 28.172 17.762 -11.464 1.00 1.00 H new ATOM 897 N LEU A 57 23.995 20.502 -11.817 1.00 1.00 N ATOM 898 CA LEU A 57 22.660 21.034 -12.033 1.00 1.00 C ATOM 899 C LEU A 57 21.879 20.085 -12.945 1.00 1.00 C ATOM 900 O LEU A 57 20.761 19.699 -12.575 1.00 1.00 O ATOM 901 CB LEU A 57 22.733 22.469 -12.557 1.00 1.00 C ATOM 902 CG LEU A 57 21.401 23.213 -12.665 1.00 1.00 C ATOM 903 CD1 LEU A 57 21.050 23.903 -11.346 1.00 1.00 C ATOM 904 CD2 LEU A 57 21.414 24.194 -13.839 1.00 1.00 C ATOM 0 H LEU A 57 24.745 21.100 -12.164 1.00 1.00 H new ATOM 0 HA LEU A 57 22.116 21.091 -11.090 1.00 1.00 H new ATOM 0 HB2 LEU A 57 23.393 23.040 -11.904 1.00 1.00 H new ATOM 0 HB3 LEU A 57 23.197 22.451 -13.543 1.00 1.00 H new ATOM 0 HG LEU A 57 20.617 22.482 -12.865 1.00 1.00 H new ATOM 0 HD11 LEU A 57 20.099 24.425 -11.450 1.00 1.00 H new ATOM 0 HD12 LEU A 57 20.970 23.157 -10.555 1.00 1.00 H new ATOM 0 HD13 LEU A 57 21.831 24.620 -11.091 1.00 1.00 H new ATOM 0 HD21 LEU A 57 20.455 24.710 -13.893 1.00 1.00 H new ATOM 0 HD22 LEU A 57 22.211 24.924 -13.695 1.00 1.00 H new ATOM 0 HD23 LEU A 57 21.585 23.649 -14.767 1.00 1.00 H new ATOM 916 N GLU A 58 22.474 19.735 -14.100 1.00 1.00 N ATOM 917 CA GLU A 58 21.838 18.841 -15.053 1.00 1.00 C ATOM 918 C GLU A 58 21.410 17.559 -14.335 1.00 1.00 C ATOM 919 O GLU A 58 20.258 17.138 -14.518 1.00 1.00 O ATOM 920 CB GLU A 58 22.762 18.527 -16.231 1.00 1.00 C ATOM 921 CG GLU A 58 21.964 18.375 -17.528 1.00 1.00 C ATOM 922 CD GLU A 58 22.889 18.067 -18.708 1.00 1.00 C ATOM 923 OE1 GLU A 58 23.626 19.052 -19.094 1.00 1.00 O ATOM 924 OE2 GLU A 58 22.888 16.937 -19.217 1.00 1.00 O ATOM 0 H GLU A 58 23.396 20.065 -14.386 1.00 1.00 H new ATOM 0 HA GLU A 58 20.957 19.335 -15.463 1.00 1.00 H new ATOM 0 HB2 GLU A 58 23.497 19.324 -16.343 1.00 1.00 H new ATOM 0 HB3 GLU A 58 23.315 17.609 -16.030 1.00 1.00 H new ATOM 0 HG2 GLU A 58 21.232 17.575 -17.417 1.00 1.00 H new ATOM 0 HG3 GLU A 58 21.408 19.291 -17.727 1.00 1.00 H new ATOM 931 N GLU A 59 22.329 16.974 -13.547 1.00 1.00 N ATOM 932 CA GLU A 59 22.048 15.753 -12.811 1.00 1.00 C ATOM 933 C GLU A 59 20.784 15.949 -11.972 1.00 1.00 C ATOM 934 O GLU A 59 19.891 15.091 -12.042 1.00 1.00 O ATOM 935 CB GLU A 59 23.231 15.341 -11.933 1.00 1.00 C ATOM 936 CG GLU A 59 22.750 14.679 -10.640 1.00 1.00 C ATOM 937 CD GLU A 59 23.933 14.282 -9.755 1.00 1.00 C ATOM 938 OE1 GLU A 59 24.964 13.838 -10.389 1.00 1.00 O ATOM 939 OE2 GLU A 59 23.851 14.398 -8.523 1.00 1.00 O ATOM 0 H GLU A 59 23.272 17.337 -13.411 1.00 1.00 H new ATOM 0 HA GLU A 59 21.886 14.944 -13.524 1.00 1.00 H new ATOM 0 HB2 GLU A 59 23.873 14.652 -12.482 1.00 1.00 H new ATOM 0 HB3 GLU A 59 23.834 16.217 -11.695 1.00 1.00 H new ATOM 0 HG2 GLU A 59 22.099 15.364 -10.097 1.00 1.00 H new ATOM 0 HG3 GLU A 59 22.157 13.796 -10.878 1.00 1.00 H new ATOM 946 N CYS A 60 20.733 17.054 -11.207 1.00 1.00 N ATOM 947 CA CYS A 60 19.589 17.356 -10.364 1.00 1.00 C ATOM 948 C CYS A 60 18.332 17.448 -11.232 1.00 1.00 C ATOM 949 O CYS A 60 17.241 17.152 -10.723 1.00 1.00 O ATOM 950 CB CYS A 60 19.820 18.635 -9.557 1.00 1.00 C ATOM 951 SG CYS A 60 18.329 19.329 -8.785 1.00 1.00 S ATOM 0 H CYS A 60 21.479 17.748 -11.163 1.00 1.00 H new ATOM 0 HA CYS A 60 19.452 16.553 -9.640 1.00 1.00 H new ATOM 0 HB2 CYS A 60 20.553 18.428 -8.777 1.00 1.00 H new ATOM 0 HB3 CYS A 60 20.256 19.388 -10.213 1.00 1.00 H new ATOM 957 N LYS A 61 18.506 17.851 -12.503 1.00 1.00 N ATOM 958 CA LYS A 61 17.394 17.980 -13.429 1.00 1.00 C ATOM 959 C LYS A 61 17.001 16.594 -13.944 1.00 1.00 C ATOM 960 O LYS A 61 15.805 16.269 -13.908 1.00 1.00 O ATOM 961 CB LYS A 61 17.736 18.975 -14.540 1.00 1.00 C ATOM 962 CG LYS A 61 18.129 20.334 -13.958 1.00 1.00 C ATOM 963 CD LYS A 61 17.330 21.463 -14.612 1.00 1.00 C ATOM 964 CE LYS A 61 17.041 22.582 -13.610 1.00 1.00 C ATOM 965 NZ LYS A 61 15.757 22.346 -12.930 1.00 1.00 N ATOM 0 H LYS A 61 19.413 18.091 -12.902 1.00 1.00 H new ATOM 0 HA LYS A 61 16.521 18.391 -12.922 1.00 1.00 H new ATOM 0 HB2 LYS A 61 18.555 18.584 -15.144 1.00 1.00 H new ATOM 0 HB3 LYS A 61 16.879 19.094 -15.203 1.00 1.00 H new ATOM 0 HG2 LYS A 61 17.955 20.337 -12.882 1.00 1.00 H new ATOM 0 HG3 LYS A 61 19.195 20.504 -14.109 1.00 1.00 H new ATOM 0 HD2 LYS A 61 17.886 21.864 -15.459 1.00 1.00 H new ATOM 0 HD3 LYS A 61 16.392 21.070 -15.004 1.00 1.00 H new ATOM 0 HE2 LYS A 61 17.844 22.636 -12.875 1.00 1.00 H new ATOM 0 HE3 LYS A 61 17.015 23.542 -14.125 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 15.568 23.124 -12.266 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 14.994 22.300 -13.635 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 15.801 21.448 -12.408 1.00 1.00 H new ATOM 979 N ASN A 62 17.998 15.818 -14.406 1.00 1.00 N ATOM 980 CA ASN A 62 17.757 14.482 -14.922 1.00 1.00 C ATOM 981 C ASN A 62 16.949 13.682 -13.899 1.00 1.00 C ATOM 982 O ASN A 62 15.951 13.060 -14.292 1.00 1.00 O ATOM 983 CB ASN A 62 19.074 13.741 -15.168 1.00 1.00 C ATOM 984 CG ASN A 62 18.928 12.726 -16.304 1.00 1.00 C ATOM 985 OD1 ASN A 62 18.533 11.589 -16.108 1.00 1.00 O ATOM 986 ND2 ASN A 62 19.269 13.200 -17.499 1.00 1.00 N ATOM 0 H ASN A 62 18.977 16.105 -14.427 1.00 1.00 H new ATOM 0 HA ASN A 62 17.215 14.577 -15.863 1.00 1.00 H new ATOM 0 HB2 ASN A 62 19.858 14.457 -15.414 1.00 1.00 H new ATOM 0 HB3 ASN A 62 19.384 13.230 -14.256 1.00 1.00 H new ATOM 0 HD21 ASN A 62 19.207 12.601 -18.322 1.00 1.00 H new ATOM 0 HD22 ASN A 62 19.592 14.163 -17.592 1.00 1.00 H new ATOM 993 N ILE A 63 17.387 13.714 -12.628 1.00 1.00 N ATOM 994 CA ILE A 63 16.708 12.997 -11.561 1.00 1.00 C ATOM 995 C ILE A 63 15.387 13.699 -11.242 1.00 1.00 C ATOM 996 O ILE A 63 14.346 13.025 -11.241 1.00 1.00 O ATOM 997 CB ILE A 63 17.630 12.840 -10.350 1.00 1.00 C ATOM 998 CG1 ILE A 63 18.685 11.760 -10.601 1.00 1.00 C ATOM 999 CG2 ILE A 63 16.823 12.569 -9.079 1.00 1.00 C ATOM 1000 CD1 ILE A 63 19.992 12.377 -11.101 1.00 1.00 C ATOM 0 H ILE A 63 18.211 14.233 -12.325 1.00 1.00 H new ATOM 0 HA ILE A 63 16.462 11.984 -11.878 1.00 1.00 H new ATOM 0 HB ILE A 63 18.161 13.780 -10.200 1.00 1.00 H new ATOM 0 HG12 ILE A 63 18.869 11.205 -9.681 1.00 1.00 H new ATOM 0 HG13 ILE A 63 18.312 11.045 -11.335 1.00 1.00 H new ATOM 0 HG21 ILE A 63 17.502 12.461 -8.233 1.00 1.00 H new ATOM 0 HG22 ILE A 63 16.143 13.401 -8.895 1.00 1.00 H new ATOM 0 HG23 ILE A 63 16.248 11.651 -9.202 1.00 1.00 H new ATOM 0 HD11 ILE A 63 20.725 11.588 -11.272 1.00 1.00 H new ATOM 0 HD12 ILE A 63 19.809 12.910 -12.034 1.00 1.00 H new ATOM 0 HD13 ILE A 63 20.375 13.073 -10.354 1.00 1.00 H new ATOM 1012 N CYS A 64 15.453 15.017 -10.980 1.00 1.00 N ATOM 1013 CA CYS A 64 14.270 15.799 -10.663 1.00 1.00 C ATOM 1014 C CYS A 64 13.531 16.147 -11.957 1.00 1.00 C ATOM 1015 O CYS A 64 12.653 15.371 -12.361 1.00 1.00 O ATOM 1016 CB CYS A 64 14.635 17.049 -9.860 1.00 1.00 C ATOM 1017 SG CYS A 64 15.636 16.737 -8.376 1.00 1.00 S ATOM 0 H CYS A 64 16.321 15.553 -10.985 1.00 1.00 H new ATOM 0 HA CYS A 64 13.605 15.208 -10.034 1.00 1.00 H new ATOM 0 HB2 CYS A 64 15.178 17.735 -10.510 1.00 1.00 H new ATOM 0 HB3 CYS A 64 13.716 17.553 -9.562 1.00 1.00 H new ATOM 0 HG CYS A 64 15.024 15.882 -7.611 1.00 1.00 H new ATOM 1023 N GLU A 65 13.895 17.287 -12.570 1.00 1.00 N ATOM 1024 CA GLU A 65 13.271 17.730 -13.805 1.00 1.00 C ATOM 1025 C GLU A 65 12.789 16.511 -14.594 1.00 1.00 C ATOM 1026 O GLU A 65 11.685 16.571 -15.156 1.00 1.00 O ATOM 1027 CB GLU A 65 14.227 18.582 -14.644 1.00 1.00 C ATOM 1028 CG GLU A 65 14.061 20.068 -14.323 1.00 1.00 C ATOM 1029 CD GLU A 65 13.904 20.892 -15.603 1.00 1.00 C ATOM 1030 OE1 GLU A 65 13.280 20.425 -16.567 1.00 1.00 O ATOM 1031 OE2 GLU A 65 14.458 22.056 -15.574 1.00 1.00 O ATOM 0 H GLU A 65 14.621 17.912 -12.220 1.00 1.00 H new ATOM 0 HA GLU A 65 12.417 18.360 -13.558 1.00 1.00 H new ATOM 0 HB2 GLU A 65 15.256 18.277 -14.452 1.00 1.00 H new ATOM 0 HB3 GLU A 65 14.037 18.412 -15.704 1.00 1.00 H new ATOM 0 HG2 GLU A 65 13.189 20.211 -13.685 1.00 1.00 H new ATOM 0 HG3 GLU A 65 14.927 20.421 -13.763 1.00 1.00 H new ATOM 1038 N ASP A 66 13.610 15.446 -14.619 1.00 1.00 N ATOM 1039 CA ASP A 66 13.269 14.226 -15.331 1.00 1.00 C ATOM 1040 C ASP A 66 13.360 14.479 -16.838 1.00 1.00 C ATOM 1041 O ASP A 66 14.034 13.698 -17.526 1.00 1.00 O ATOM 1042 CB ASP A 66 11.839 13.784 -15.012 1.00 1.00 C ATOM 1043 CG ASP A 66 10.763 14.359 -15.935 1.00 1.00 C ATOM 1044 OD1 ASP A 66 10.763 14.108 -17.150 1.00 1.00 O ATOM 1045 OD2 ASP A 66 9.886 15.104 -15.352 1.00 1.00 O ATOM 0 H ASP A 66 14.515 15.417 -14.149 1.00 1.00 H new ATOM 0 HA ASP A 66 13.965 13.447 -15.020 1.00 1.00 H new ATOM 0 HB2 ASP A 66 11.792 12.696 -15.058 1.00 1.00 H new ATOM 0 HB3 ASP A 66 11.607 14.070 -13.986 1.00 1.00 H new