USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 427 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 28 THR OG1 : rot -124:sc= 1.05 USER MOD Set 1.2: A 31 GLN : amide:sc= 1.66 K(o=2.7,f=0.18) USER MOD Single : A 20 ASN : amide:sc= 2.04 K(o=2,f=-0.0026) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -75:sc= 1.16 USER MOD Single : A 26 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.29) USER MOD Single : A 27 SER OG : rot -150:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.023 K(o=-0.023,f=-0.85) USER MOD Single : A 36 MET CE :methyl 178:sc=-0.00559 (180deg=-0.00931) USER MOD Single : A 38 SER OG : rot 86:sc= 1.21 USER MOD Single : A 39 THR OG1 : rot -92:sc= 1.22 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 160:sc= 0.475 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 97 SER OG : rot -84:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 12.884 3.346 -0.949 1.00 0.00 N ATOM 197 CA GLU A 13 13.640 3.037 -2.169 1.00 0.00 C ATOM 198 C GLU A 13 13.927 4.296 -3.013 1.00 0.00 C ATOM 199 O GLU A 13 15.064 4.480 -3.448 1.00 0.00 O ATOM 200 CB GLU A 13 12.901 1.949 -2.964 1.00 0.00 C ATOM 201 CG GLU A 13 13.733 1.423 -4.140 1.00 0.00 C ATOM 202 CD GLU A 13 13.029 0.237 -4.825 1.00 0.00 C ATOM 203 OE1 GLU A 13 12.213 0.457 -5.753 1.00 0.00 O ATOM 204 OE2 GLU A 13 13.292 -0.932 -4.447 1.00 0.00 O ATOM 0 HA GLU A 13 14.620 2.651 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.652 1.122 -2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.960 2.352 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.894 2.223 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.716 1.112 -3.785 1.00 0.00 H new ATOM 211 N VAL A 14 12.961 5.213 -3.185 1.00 0.00 N ATOM 212 CA VAL A 14 13.230 6.501 -3.858 1.00 0.00 C ATOM 213 C VAL A 14 14.087 7.453 -3.017 1.00 0.00 C ATOM 214 O VAL A 14 14.908 8.168 -3.585 1.00 0.00 O ATOM 215 CB VAL A 14 11.976 7.205 -4.417 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.469 6.464 -5.658 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.811 7.419 -3.459 1.00 0.00 C ATOM 0 H VAL A 14 11.997 5.092 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 14 13.821 6.221 -4.730 1.00 0.00 H new ATOM 0 HB VAL A 14 12.332 8.210 -4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.584 6.968 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.247 6.458 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.215 5.438 -5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.998 7.923 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.462 6.455 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.138 8.032 -2.620 1.00 0.00 H new ATOM 227 N ASP A 15 13.986 7.436 -1.685 1.00 0.00 N ATOM 228 CA ASP A 15 14.890 8.214 -0.824 1.00 0.00 C ATOM 229 C ASP A 15 16.335 7.681 -0.850 1.00 0.00 C ATOM 230 O ASP A 15 17.281 8.465 -0.935 1.00 0.00 O ATOM 231 CB ASP A 15 14.352 8.255 0.608 1.00 0.00 C ATOM 232 CG ASP A 15 15.148 9.292 1.409 1.00 0.00 C ATOM 233 OD1 ASP A 15 14.907 10.504 1.226 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.058 8.916 2.182 1.00 0.00 O ATOM 0 H ASP A 15 13.288 6.893 -1.177 1.00 0.00 H new ATOM 0 HA ASP A 15 14.924 9.228 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.293 8.513 0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.440 7.272 1.072 1.00 0.00 H new ATOM 239 N GLU A 16 16.525 6.358 -0.864 1.00 0.00 N ATOM 240 CA GLU A 16 17.829 5.731 -1.112 1.00 0.00 C ATOM 241 C GLU A 16 18.370 6.101 -2.503 1.00 0.00 C ATOM 242 O GLU A 16 19.551 6.435 -2.633 1.00 0.00 O ATOM 243 CB GLU A 16 17.693 4.204 -0.958 1.00 0.00 C ATOM 244 CG GLU A 16 18.951 3.397 -1.320 1.00 0.00 C ATOM 245 CD GLU A 16 20.160 3.599 -0.379 1.00 0.00 C ATOM 246 OE1 GLU A 16 20.022 4.198 0.716 1.00 0.00 O ATOM 247 OE2 GLU A 16 21.272 3.138 -0.740 1.00 0.00 O ATOM 0 H GLU A 16 15.774 5.687 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 16 18.547 6.103 -0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.422 3.981 0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 16 16.869 3.863 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.693 2.338 -1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.253 3.661 -2.334 1.00 0.00 H new ATOM 254 N ALA A 17 17.522 6.088 -3.540 1.00 0.00 N ATOM 255 CA ALA A 17 17.927 6.493 -4.884 1.00 0.00 C ATOM 256 C ALA A 17 18.376 7.969 -4.927 1.00 0.00 C ATOM 257 O ALA A 17 19.418 8.280 -5.504 1.00 0.00 O ATOM 258 CB ALA A 17 16.785 6.205 -5.868 1.00 0.00 C ATOM 0 H ALA A 17 16.546 5.799 -3.468 1.00 0.00 H new ATOM 0 HA ALA A 17 18.797 5.908 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.085 6.506 -6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.559 5.139 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.899 6.765 -5.571 1.00 0.00 H new ATOM 264 N ILE A 18 17.652 8.858 -4.234 1.00 0.00 N ATOM 265 CA ILE A 18 18.054 10.260 -4.017 1.00 0.00 C ATOM 266 C ILE A 18 19.412 10.350 -3.316 1.00 0.00 C ATOM 267 O ILE A 18 20.265 11.107 -3.770 1.00 0.00 O ATOM 268 CB ILE A 18 16.946 11.006 -3.238 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.788 11.325 -4.202 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.441 12.296 -2.555 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.461 11.551 -3.475 1.00 0.00 C ATOM 0 H ILE A 18 16.758 8.624 -3.801 1.00 0.00 H new ATOM 0 HA ILE A 18 18.175 10.747 -4.985 1.00 0.00 H new ATOM 0 HB ILE A 18 16.612 10.349 -2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.037 12.215 -4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.674 10.505 -4.911 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.613 12.769 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.232 12.052 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.829 12.981 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.680 11.772 -4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.194 10.653 -2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.562 12.389 -2.786 1.00 0.00 H new ATOM 283 N ASP A 19 19.655 9.576 -2.260 1.00 0.00 N ATOM 284 CA ASP A 19 20.932 9.617 -1.532 1.00 0.00 C ATOM 285 C ASP A 19 22.115 9.111 -2.382 1.00 0.00 C ATOM 286 O ASP A 19 23.200 9.691 -2.354 1.00 0.00 O ATOM 287 CB ASP A 19 20.788 8.828 -0.218 1.00 0.00 C ATOM 288 CG ASP A 19 21.473 9.563 0.938 1.00 0.00 C ATOM 289 OD1 ASP A 19 20.853 10.518 1.467 1.00 0.00 O ATOM 290 OD2 ASP A 19 22.607 9.183 1.313 1.00 0.00 O ATOM 0 H ASP A 19 18.983 8.907 -1.884 1.00 0.00 H new ATOM 0 HA ASP A 19 21.165 10.656 -1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.732 8.685 0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.226 7.837 -0.334 1.00 0.00 H new ATOM 295 N ASN A 20 21.896 8.089 -3.219 1.00 0.00 N ATOM 296 CA ASN A 20 22.902 7.616 -4.180 1.00 0.00 C ATOM 297 C ASN A 20 23.165 8.652 -5.285 1.00 0.00 C ATOM 298 O ASN A 20 24.324 8.891 -5.620 1.00 0.00 O ATOM 299 CB ASN A 20 22.484 6.251 -4.758 1.00 0.00 C ATOM 300 CG ASN A 20 22.748 5.110 -3.786 1.00 0.00 C ATOM 301 OD1 ASN A 20 23.767 4.435 -3.845 1.00 0.00 O ATOM 302 ND2 ASN A 20 21.849 4.876 -2.866 1.00 0.00 N ATOM 0 H ASN A 20 21.020 7.568 -3.250 1.00 0.00 H new ATOM 0 HA ASN A 20 23.846 7.484 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.424 6.274 -5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 20 23.027 6.069 -5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.994 4.126 -2.190 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.003 5.444 -2.824 1.00 0.00 H new ATOM 309 N ILE A 21 22.126 9.325 -5.795 1.00 0.00 N ATOM 310 CA ILE A 21 22.271 10.445 -6.745 1.00 0.00 C ATOM 311 C ILE A 21 23.040 11.606 -6.103 1.00 0.00 C ATOM 312 O ILE A 21 23.962 12.141 -6.714 1.00 0.00 O ATOM 313 CB ILE A 21 20.878 10.880 -7.271 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.366 9.849 -8.299 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.928 12.282 -7.903 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.859 9.962 -8.579 1.00 0.00 C ATOM 0 H ILE A 21 21.156 9.111 -5.562 1.00 0.00 H new ATOM 0 HA ILE A 21 22.857 10.115 -7.602 1.00 0.00 H new ATOM 0 HB ILE A 21 20.192 10.923 -6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.912 9.977 -9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.586 8.845 -7.936 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.935 12.555 -8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.257 13.006 -7.157 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.627 12.279 -8.739 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.567 9.208 -9.310 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.304 9.804 -7.654 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.635 10.954 -8.972 1.00 0.00 H new ATOM 328 N LEU A 22 22.706 11.969 -4.865 1.00 0.00 N ATOM 329 CA LEU A 22 23.362 13.034 -4.102 1.00 0.00 C ATOM 330 C LEU A 22 24.871 12.767 -3.926 1.00 0.00 C ATOM 331 O LEU A 22 25.695 13.649 -4.170 1.00 0.00 O ATOM 332 CB LEU A 22 22.610 13.120 -2.759 1.00 0.00 C ATOM 333 CG LEU A 22 23.128 14.166 -1.765 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.886 15.581 -2.286 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.406 13.998 -0.428 1.00 0.00 C ATOM 0 H LEU A 22 21.950 11.518 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 22 23.314 13.988 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.561 13.332 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.649 12.142 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 22 24.200 14.017 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.262 16.304 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.405 15.713 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.817 15.737 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 22 22.773 14.741 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.334 14.134 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.595 12.999 -0.036 1.00 0.00 H new ATOM 347 N ARG A 23 25.237 11.524 -3.579 1.00 0.00 N ATOM 348 CA ARG A 23 26.645 11.096 -3.442 1.00 0.00 C ATOM 349 C ARG A 23 27.379 11.028 -4.788 1.00 0.00 C ATOM 350 O ARG A 23 28.513 11.494 -4.886 1.00 0.00 O ATOM 351 CB ARG A 23 26.688 9.748 -2.699 1.00 0.00 C ATOM 352 CG ARG A 23 26.257 9.884 -1.228 1.00 0.00 C ATOM 353 CD ARG A 23 26.016 8.513 -0.590 1.00 0.00 C ATOM 354 NE ARG A 23 25.291 8.657 0.686 1.00 0.00 N ATOM 355 CZ ARG A 23 25.754 8.656 1.918 1.00 0.00 C ATOM 356 NH1 ARG A 23 27.013 8.476 2.214 1.00 0.00 N ATOM 357 NH2 ARG A 23 24.905 8.849 2.880 1.00 0.00 N ATOM 0 H ARG A 23 24.565 10.782 -3.384 1.00 0.00 H new ATOM 0 HA ARG A 23 27.178 11.848 -2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.035 9.036 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 23 27.698 9.342 -2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.026 10.417 -0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.347 10.481 -1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 23 25.443 7.884 -1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 23 26.969 8.012 -0.419 1.00 0.00 H new ATOM 0 HE ARG A 23 24.281 8.775 0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.695 8.326 1.471 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.314 8.485 3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 23 23.918 8.994 2.668 1.00 0.00 H new ATOM 0 HH22 ARG A 23 25.225 8.855 3.849 1.00 0.00 H new ATOM 371 N TYR A 24 26.724 10.514 -5.833 1.00 0.00 N ATOM 372 CA TYR A 24 27.281 10.418 -7.192 1.00 0.00 C ATOM 373 C TYR A 24 27.539 11.797 -7.831 1.00 0.00 C ATOM 374 O TYR A 24 28.617 12.051 -8.370 1.00 0.00 O ATOM 375 CB TYR A 24 26.316 9.580 -8.050 1.00 0.00 C ATOM 376 CG TYR A 24 26.628 9.519 -9.537 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.897 9.099 -9.987 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.632 9.859 -10.475 1.00 0.00 C ATOM 379 CE1 TYR A 24 28.176 9.042 -11.367 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.905 9.786 -11.854 1.00 0.00 C ATOM 381 CZ TYR A 24 27.179 9.382 -12.308 1.00 0.00 C ATOM 382 OH TYR A 24 27.428 9.317 -13.646 1.00 0.00 O ATOM 0 H TYR A 24 25.776 10.146 -5.761 1.00 0.00 H new ATOM 0 HA TYR A 24 28.256 9.935 -7.135 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.304 8.562 -7.659 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.310 9.981 -7.926 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.657 8.820 -9.272 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.657 10.176 -10.135 1.00 0.00 H new ATOM 0 HE1 TYR A 24 29.155 8.737 -11.706 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.136 10.040 -12.568 1.00 0.00 H new ATOM 0 HH TYR A 24 26.626 9.586 -14.141 1.00 0.00 H new ATOM 392 N THR A 25 26.573 12.718 -7.718 1.00 0.00 N ATOM 393 CA THR A 25 26.681 14.088 -8.260 1.00 0.00 C ATOM 394 C THR A 25 27.590 15.014 -7.441 1.00 0.00 C ATOM 395 O THR A 25 27.959 16.082 -7.931 1.00 0.00 O ATOM 396 CB THR A 25 25.306 14.756 -8.400 1.00 0.00 C ATOM 397 OG1 THR A 25 24.631 14.792 -7.164 1.00 0.00 O ATOM 398 CG2 THR A 25 24.401 14.084 -9.431 1.00 0.00 C ATOM 0 H THR A 25 25.687 12.537 -7.246 1.00 0.00 H new ATOM 0 HA THR A 25 27.137 13.953 -9.241 1.00 0.00 H new ATOM 0 HB THR A 25 25.515 15.767 -8.749 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.294 13.897 -6.949 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.447 14.610 -9.475 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.879 14.116 -10.410 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.230 13.046 -9.144 1.00 0.00 H new ATOM 406 N ASN A 26 27.964 14.619 -6.214 1.00 0.00 N ATOM 407 CA ASN A 26 28.859 15.359 -5.310 1.00 0.00 C ATOM 408 C ASN A 26 28.462 16.839 -5.090 1.00 0.00 C ATOM 409 O ASN A 26 29.313 17.718 -4.937 1.00 0.00 O ATOM 410 CB ASN A 26 30.341 15.073 -5.651 1.00 0.00 C ATOM 411 CG ASN A 26 30.783 15.505 -7.043 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.035 16.673 -7.311 1.00 0.00 O ATOM 413 ND2 ASN A 26 30.886 14.586 -7.979 1.00 0.00 N ATOM 0 H ASN A 26 27.639 13.741 -5.809 1.00 0.00 H new ATOM 0 HA ASN A 26 28.723 14.968 -4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.969 15.576 -4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.521 14.003 -5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 26 31.174 14.848 -8.922 1.00 0.00 H new ATOM 0 HD22 ASN A 26 30.677 13.611 -7.762 1.00 0.00 H new ATOM 420 N SER A 27 27.151 17.101 -5.093 1.00 0.00 N ATOM 421 CA SER A 27 26.545 18.425 -4.843 1.00 0.00 C ATOM 422 C SER A 27 25.710 18.441 -3.553 1.00 0.00 C ATOM 423 O SER A 27 25.506 17.401 -2.924 1.00 0.00 O ATOM 424 CB SER A 27 25.702 18.848 -6.050 1.00 0.00 C ATOM 425 OG SER A 27 26.570 19.115 -7.141 1.00 0.00 O ATOM 0 H SER A 27 26.455 16.378 -5.275 1.00 0.00 H new ATOM 0 HA SER A 27 27.352 19.145 -4.704 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.996 18.060 -6.313 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.115 19.734 -5.809 1.00 0.00 H new ATOM 0 HG SER A 27 26.170 19.799 -7.718 1.00 0.00 H new ATOM 431 N THR A 28 25.221 19.617 -3.144 1.00 0.00 N ATOM 432 CA THR A 28 24.306 19.747 -1.993 1.00 0.00 C ATOM 433 C THR A 28 22.868 19.376 -2.371 1.00 0.00 C ATOM 434 O THR A 28 22.473 19.433 -3.536 1.00 0.00 O ATOM 435 CB THR A 28 24.333 21.163 -1.393 1.00 0.00 C ATOM 436 OG1 THR A 28 23.704 22.056 -2.280 1.00 0.00 O ATOM 437 CG2 THR A 28 25.742 21.686 -1.111 1.00 0.00 C ATOM 0 H THR A 28 25.444 20.504 -3.596 1.00 0.00 H new ATOM 0 HA THR A 28 24.663 19.047 -1.238 1.00 0.00 H new ATOM 0 HB THR A 28 23.811 21.099 -0.438 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.319 22.787 -2.499 1.00 0.00 H new ATOM 0 HG21 THR A 28 25.680 22.689 -0.689 1.00 0.00 H new ATOM 0 HG22 THR A 28 26.240 21.025 -0.402 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.311 21.717 -2.040 1.00 0.00 H new ATOM 445 N GLU A 29 22.041 19.067 -1.369 1.00 0.00 N ATOM 446 CA GLU A 29 20.598 18.849 -1.573 1.00 0.00 C ATOM 447 C GLU A 29 19.895 20.129 -2.049 1.00 0.00 C ATOM 448 O GLU A 29 18.951 20.058 -2.831 1.00 0.00 O ATOM 449 CB GLU A 29 19.956 18.338 -0.273 1.00 0.00 C ATOM 450 CG GLU A 29 20.544 16.994 0.168 1.00 0.00 C ATOM 451 CD GLU A 29 19.874 16.477 1.450 1.00 0.00 C ATOM 452 OE1 GLU A 29 20.032 17.109 2.522 1.00 0.00 O ATOM 453 OE2 GLU A 29 19.203 15.420 1.386 1.00 0.00 O ATOM 0 H GLU A 29 22.344 18.961 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 29 20.478 18.098 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.102 19.074 0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.881 18.234 -0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.418 16.262 -0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.616 17.102 0.335 1.00 0.00 H new ATOM 460 N GLN A 30 20.383 21.308 -1.633 1.00 0.00 N ATOM 461 CA GLN A 30 19.855 22.600 -2.083 1.00 0.00 C ATOM 462 C GLN A 30 20.145 22.849 -3.571 1.00 0.00 C ATOM 463 O GLN A 30 19.239 23.222 -4.312 1.00 0.00 O ATOM 464 CB GLN A 30 20.417 23.737 -1.214 1.00 0.00 C ATOM 465 CG GLN A 30 19.982 23.681 0.265 1.00 0.00 C ATOM 466 CD GLN A 30 18.491 23.940 0.519 1.00 0.00 C ATOM 467 OE1 GLN A 30 17.690 24.206 -0.371 1.00 0.00 O ATOM 468 NE2 GLN A 30 18.056 23.876 1.761 1.00 0.00 N ATOM 0 H GLN A 30 21.157 21.390 -0.973 1.00 0.00 H new ATOM 0 HA GLN A 30 18.771 22.576 -1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.506 23.711 -1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.103 24.691 -1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 30 20.237 22.700 0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 30 20.562 24.414 0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.704 23.656 2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.071 24.046 1.966 1.00 0.00 H new ATOM 477 N GLN A 31 21.362 22.563 -4.051 1.00 0.00 N ATOM 478 CA GLN A 31 21.677 22.692 -5.480 1.00 0.00 C ATOM 479 C GLN A 31 20.948 21.631 -6.325 1.00 0.00 C ATOM 480 O GLN A 31 20.520 21.933 -7.440 1.00 0.00 O ATOM 481 CB GLN A 31 23.200 22.684 -5.710 1.00 0.00 C ATOM 482 CG GLN A 31 23.841 24.082 -5.608 1.00 0.00 C ATOM 483 CD GLN A 31 23.845 24.691 -4.204 1.00 0.00 C ATOM 484 OE1 GLN A 31 24.767 24.509 -3.419 1.00 0.00 O ATOM 485 NE2 GLN A 31 22.846 25.463 -3.833 1.00 0.00 N ATOM 0 H GLN A 31 22.141 22.243 -3.475 1.00 0.00 H new ATOM 0 HA GLN A 31 21.305 23.659 -5.820 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.667 22.024 -4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.409 22.267 -6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 31 24.869 24.020 -5.964 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.311 24.758 -6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 31 22.067 25.630 -4.470 1.00 0.00 H new ATOM 0 HE22 GLN A 31 22.851 25.895 -2.909 1.00 0.00 H new ATOM 494 N PHE A 32 20.721 20.421 -5.794 1.00 0.00 N ATOM 495 CA PHE A 32 19.868 19.418 -6.453 1.00 0.00 C ATOM 496 C PHE A 32 18.396 19.884 -6.530 1.00 0.00 C ATOM 497 O PHE A 32 17.776 19.765 -7.584 1.00 0.00 O ATOM 498 CB PHE A 32 20.037 18.063 -5.742 1.00 0.00 C ATOM 499 CG PHE A 32 19.373 16.831 -6.354 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.910 16.796 -7.687 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.260 15.670 -5.564 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.297 15.635 -8.197 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.653 14.509 -6.074 1.00 0.00 C ATOM 504 CZ PHE A 32 18.155 14.495 -7.386 1.00 0.00 C ATOM 0 H PHE A 32 21.117 20.111 -4.907 1.00 0.00 H new ATOM 0 HA PHE A 32 20.185 19.295 -7.489 1.00 0.00 H new ATOM 0 HB2 PHE A 32 21.105 17.860 -5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.659 18.173 -4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 32 19.026 17.664 -8.319 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.644 15.672 -4.555 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.935 15.620 -9.214 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.570 13.627 -5.456 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.665 13.613 -7.771 1.00 0.00 H new ATOM 514 N LEU A 33 17.861 20.504 -5.468 1.00 0.00 N ATOM 515 CA LEU A 33 16.528 21.126 -5.475 1.00 0.00 C ATOM 516 C LEU A 33 16.427 22.245 -6.518 1.00 0.00 C ATOM 517 O LEU A 33 15.519 22.228 -7.345 1.00 0.00 O ATOM 518 CB LEU A 33 16.193 21.575 -4.037 1.00 0.00 C ATOM 519 CG LEU A 33 14.802 22.181 -3.741 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.642 23.624 -4.229 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.653 21.340 -4.300 1.00 0.00 C ATOM 0 H LEU A 33 18.344 20.589 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 33 15.774 20.402 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.320 20.710 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.941 22.310 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 33 14.747 22.181 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.641 23.981 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.382 24.258 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.789 23.661 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.703 21.817 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.755 21.258 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.681 20.345 -3.857 1.00 0.00 H new ATOM 533 N GLU A 34 17.389 23.163 -6.541 1.00 0.00 N ATOM 534 CA GLU A 34 17.434 24.249 -7.534 1.00 0.00 C ATOM 535 C GLU A 34 17.501 23.727 -8.971 1.00 0.00 C ATOM 536 O GLU A 34 16.814 24.253 -9.846 1.00 0.00 O ATOM 537 CB GLU A 34 18.628 25.181 -7.266 1.00 0.00 C ATOM 538 CG GLU A 34 18.435 26.062 -6.028 1.00 0.00 C ATOM 539 CD GLU A 34 19.683 26.932 -5.778 1.00 0.00 C ATOM 540 OE1 GLU A 34 20.763 26.380 -5.449 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.592 28.177 -5.909 1.00 0.00 O ATOM 0 H GLU A 34 18.162 23.181 -5.875 1.00 0.00 H new ATOM 0 HA GLU A 34 16.503 24.806 -7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.529 24.581 -7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.787 25.817 -8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.562 26.700 -6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.241 25.436 -5.157 1.00 0.00 H new ATOM 548 N ALA A 35 18.269 22.667 -9.220 1.00 0.00 N ATOM 549 CA ALA A 35 18.338 22.026 -10.533 1.00 0.00 C ATOM 550 C ALA A 35 17.027 21.325 -10.910 1.00 0.00 C ATOM 551 O ALA A 35 16.555 21.487 -12.031 1.00 0.00 O ATOM 552 CB ALA A 35 19.532 21.068 -10.553 1.00 0.00 C ATOM 0 H ALA A 35 18.862 22.228 -8.516 1.00 0.00 H new ATOM 0 HA ALA A 35 18.483 22.793 -11.293 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.594 20.584 -11.528 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.449 21.626 -10.366 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.404 20.311 -9.779 1.00 0.00 H new ATOM 558 N MET A 36 16.381 20.605 -9.987 1.00 0.00 N ATOM 559 CA MET A 36 15.061 19.994 -10.231 1.00 0.00 C ATOM 560 C MET A 36 13.990 21.055 -10.514 1.00 0.00 C ATOM 561 O MET A 36 13.231 20.907 -11.468 1.00 0.00 O ATOM 562 CB MET A 36 14.665 19.104 -9.037 1.00 0.00 C ATOM 563 CG MET A 36 15.504 17.824 -8.942 1.00 0.00 C ATOM 564 SD MET A 36 15.149 16.550 -10.187 1.00 0.00 S ATOM 565 CE MET A 36 13.622 15.837 -9.523 1.00 0.00 C ATOM 0 H MET A 36 16.752 20.427 -9.054 1.00 0.00 H new ATOM 0 HA MET A 36 15.132 19.371 -11.122 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.775 19.673 -8.114 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.612 18.836 -9.123 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.557 18.096 -9.018 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.358 17.389 -7.953 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.259 15.062 -10.198 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.820 15.402 -8.543 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.867 16.618 -9.427 1.00 0.00 H new ATOM 575 N GLU A 37 13.967 22.166 -9.776 1.00 0.00 N ATOM 576 CA GLU A 37 13.023 23.268 -10.031 1.00 0.00 C ATOM 577 C GLU A 37 13.323 24.008 -11.351 1.00 0.00 C ATOM 578 O GLU A 37 12.395 24.397 -12.063 1.00 0.00 O ATOM 579 CB GLU A 37 13.038 24.246 -8.845 1.00 0.00 C ATOM 580 CG GLU A 37 12.438 23.667 -7.551 1.00 0.00 C ATOM 581 CD GLU A 37 10.938 23.320 -7.654 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.163 24.079 -8.285 1.00 0.00 O ATOM 583 OE2 GLU A 37 10.506 22.311 -7.046 1.00 0.00 O ATOM 0 H GLU A 37 14.595 22.332 -8.989 1.00 0.00 H new ATOM 0 HA GLU A 37 12.028 22.835 -10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.066 24.552 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.485 25.144 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.990 22.768 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.579 24.386 -6.744 1.00 0.00 H new ATOM 590 N SER A 38 14.605 24.156 -11.720 1.00 0.00 N ATOM 591 CA SER A 38 15.024 24.835 -12.963 1.00 0.00 C ATOM 592 C SER A 38 14.866 23.978 -14.230 1.00 0.00 C ATOM 593 O SER A 38 14.735 24.526 -15.326 1.00 0.00 O ATOM 594 CB SER A 38 16.487 25.301 -12.866 1.00 0.00 C ATOM 595 OG SER A 38 16.681 26.177 -11.766 1.00 0.00 O ATOM 0 H SER A 38 15.386 23.808 -11.164 1.00 0.00 H new ATOM 0 HA SER A 38 14.351 25.687 -13.059 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.140 24.434 -12.762 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.771 25.806 -13.789 1.00 0.00 H new ATOM 0 HG SER A 38 16.850 25.652 -10.956 1.00 0.00 H new ATOM 601 N THR A 39 14.871 22.644 -14.096 1.00 0.00 N ATOM 602 CA THR A 39 14.771 21.694 -15.231 1.00 0.00 C ATOM 603 C THR A 39 13.370 21.091 -15.413 1.00 0.00 C ATOM 604 O THR A 39 13.159 20.278 -16.316 1.00 0.00 O ATOM 605 CB THR A 39 15.830 20.585 -15.142 1.00 0.00 C ATOM 606 OG1 THR A 39 15.679 19.842 -13.959 1.00 0.00 O ATOM 607 CG2 THR A 39 17.259 21.127 -15.173 1.00 0.00 C ATOM 0 H THR A 39 14.945 22.182 -13.190 1.00 0.00 H new ATOM 0 HA THR A 39 14.967 22.293 -16.121 1.00 0.00 H new ATOM 0 HB THR A 39 15.672 19.956 -16.018 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.241 20.229 -13.256 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.964 20.298 -15.107 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.422 21.669 -16.104 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.411 21.801 -14.330 1.00 0.00 H new ATOM 615 N GLY A 40 12.399 21.485 -14.579 1.00 0.00 N ATOM 616 CA GLY A 40 10.999 21.043 -14.696 1.00 0.00 C ATOM 617 C GLY A 40 10.715 19.682 -14.051 1.00 0.00 C ATOM 618 O GLY A 40 9.796 18.973 -14.466 1.00 0.00 O ATOM 0 H GLY A 40 12.561 22.123 -13.799 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.354 21.792 -14.237 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.732 20.995 -15.752 1.00 0.00 H new ATOM 622 N GLY A 41 11.526 19.297 -13.057 1.00 0.00 N ATOM 623 CA GLY A 41 11.346 18.078 -12.263 1.00 0.00 C ATOM 624 C GLY A 41 11.925 16.798 -12.870 1.00 0.00 C ATOM 625 O GLY A 41 11.783 15.743 -12.258 1.00 0.00 O ATOM 0 H GLY A 41 12.344 19.838 -12.777 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.802 18.233 -11.285 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.279 17.929 -12.097 1.00 0.00 H new ATOM 629 N ARG A 42 12.591 16.854 -14.033 1.00 0.00 N ATOM 630 CA ARG A 42 13.201 15.676 -14.677 1.00 0.00 C ATOM 631 C ARG A 42 14.523 15.304 -14.011 1.00 0.00 C ATOM 632 O ARG A 42 15.511 16.022 -14.162 1.00 0.00 O ATOM 633 CB ARG A 42 13.399 15.930 -16.176 1.00 0.00 C ATOM 634 CG ARG A 42 12.078 15.766 -16.940 1.00 0.00 C ATOM 635 CD ARG A 42 12.364 15.509 -18.417 1.00 0.00 C ATOM 636 NE ARG A 42 12.760 16.746 -19.126 1.00 0.00 N ATOM 637 CZ ARG A 42 13.046 16.865 -20.414 1.00 0.00 C ATOM 638 NH1 ARG A 42 13.068 15.838 -21.213 1.00 0.00 N ATOM 639 NH2 ARG A 42 13.323 18.030 -20.928 1.00 0.00 N ATOM 0 H ARG A 42 12.723 17.719 -14.557 1.00 0.00 H new ATOM 0 HA ARG A 42 12.521 14.833 -14.555 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.790 16.936 -16.330 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.141 15.236 -16.571 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.506 14.938 -16.522 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.469 16.663 -16.829 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.158 14.768 -18.509 1.00 0.00 H new ATOM 0 HD3 ARG A 42 11.477 15.087 -18.890 1.00 0.00 H new ATOM 0 HE ARG A 42 12.819 17.596 -18.565 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.861 14.907 -20.852 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.292 15.964 -22.200 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.321 18.862 -20.337 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.542 18.110 -21.921 1.00 0.00 H new ATOM 653 N VAL A 43 14.584 14.129 -13.379 1.00 0.00 N ATOM 654 CA VAL A 43 15.806 13.667 -12.685 1.00 0.00 C ATOM 655 C VAL A 43 17.002 13.567 -13.634 1.00 0.00 C ATOM 656 O VAL A 43 18.083 14.022 -13.281 1.00 0.00 O ATOM 657 CB VAL A 43 15.558 12.369 -11.886 1.00 0.00 C ATOM 658 CG1 VAL A 43 15.350 11.116 -12.746 1.00 0.00 C ATOM 659 CG2 VAL A 43 16.722 12.092 -10.926 1.00 0.00 C ATOM 0 H VAL A 43 13.804 13.474 -13.329 1.00 0.00 H new ATOM 0 HA VAL A 43 16.069 14.429 -11.951 1.00 0.00 H new ATOM 0 HB VAL A 43 14.628 12.555 -11.349 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.183 10.254 -12.099 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.484 11.258 -13.392 1.00 0.00 H new ATOM 0 HG13 VAL A 43 16.235 10.944 -13.358 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.527 11.173 -10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.645 11.984 -11.495 1.00 0.00 H new ATOM 0 HG23 VAL A 43 16.822 12.922 -10.227 1.00 0.00 H new ATOM 669 N ARG A 44 16.805 13.100 -14.876 1.00 0.00 N ATOM 670 CA ARG A 44 17.894 12.962 -15.873 1.00 0.00 C ATOM 671 C ARG A 44 18.561 14.294 -16.237 1.00 0.00 C ATOM 672 O ARG A 44 19.785 14.384 -16.274 1.00 0.00 O ATOM 673 CB ARG A 44 17.394 12.165 -17.098 1.00 0.00 C ATOM 674 CG ARG A 44 16.297 12.841 -17.953 1.00 0.00 C ATOM 675 CD ARG A 44 15.791 11.910 -19.061 1.00 0.00 C ATOM 676 NE ARG A 44 16.828 11.639 -20.083 1.00 0.00 N ATOM 677 CZ ARG A 44 16.785 10.711 -21.026 1.00 0.00 C ATOM 678 NH1 ARG A 44 15.770 9.906 -21.161 1.00 0.00 N ATOM 679 NH2 ARG A 44 17.773 10.574 -21.863 1.00 0.00 N ATOM 0 H ARG A 44 15.892 12.806 -15.223 1.00 0.00 H new ATOM 0 HA ARG A 44 18.697 12.388 -15.411 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.248 11.955 -17.741 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.013 11.205 -16.750 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.464 13.132 -17.313 1.00 0.00 H new ATOM 0 HG3 ARG A 44 16.692 13.755 -18.397 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.463 10.968 -18.620 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.920 12.358 -19.540 1.00 0.00 H new ATOM 0 HE ARG A 44 17.661 12.228 -20.058 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.973 9.979 -20.528 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.772 9.203 -21.900 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.588 11.184 -21.795 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.732 9.857 -22.587 1.00 0.00 H new ATOM 693 N ILE A 45 17.762 15.355 -16.410 1.00 0.00 N ATOM 694 CA ILE A 45 18.271 16.696 -16.766 1.00 0.00 C ATOM 695 C ILE A 45 18.915 17.360 -15.542 1.00 0.00 C ATOM 696 O ILE A 45 19.952 18.004 -15.662 1.00 0.00 O ATOM 697 CB ILE A 45 17.159 17.581 -17.382 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.300 16.887 -18.464 1.00 0.00 C ATOM 699 CG2 ILE A 45 17.768 18.860 -17.978 1.00 0.00 C ATOM 700 CD1 ILE A 45 17.052 16.335 -19.685 1.00 0.00 C ATOM 0 H ILE A 45 16.748 15.314 -16.309 1.00 0.00 H new ATOM 0 HA ILE A 45 19.038 16.580 -17.531 1.00 0.00 H new ATOM 0 HB ILE A 45 16.488 17.807 -16.553 1.00 0.00 H new ATOM 0 HG12 ILE A 45 15.760 16.064 -17.995 1.00 0.00 H new ATOM 0 HG13 ILE A 45 15.554 17.599 -18.816 1.00 0.00 H new ATOM 0 HG21 ILE A 45 16.976 19.474 -18.408 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.276 19.421 -17.194 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.484 18.594 -18.756 1.00 0.00 H new ATOM 0 HD11 ILE A 45 16.342 15.873 -20.371 1.00 0.00 H new ATOM 0 HD12 ILE A 45 17.569 17.149 -20.192 1.00 0.00 H new ATOM 0 HD13 ILE A 45 17.779 15.591 -19.359 1.00 0.00 H new ATOM 712 N ALA A 46 18.358 17.144 -14.346 1.00 0.00 N ATOM 713 CA ALA A 46 18.918 17.678 -13.104 1.00 0.00 C ATOM 714 C ALA A 46 20.287 17.057 -12.776 1.00 0.00 C ATOM 715 O ALA A 46 21.252 17.786 -12.540 1.00 0.00 O ATOM 716 CB ALA A 46 17.899 17.475 -11.980 1.00 0.00 C ATOM 0 H ALA A 46 17.508 16.595 -14.214 1.00 0.00 H new ATOM 0 HA ALA A 46 19.106 18.745 -13.221 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.303 17.869 -11.047 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.976 18.000 -12.226 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.691 16.411 -11.865 1.00 0.00 H new ATOM 722 N ILE A 47 20.419 15.724 -12.852 1.00 0.00 N ATOM 723 CA ILE A 47 21.722 15.065 -12.649 1.00 0.00 C ATOM 724 C ILE A 47 22.701 15.415 -13.770 1.00 0.00 C ATOM 725 O ILE A 47 23.869 15.654 -13.476 1.00 0.00 O ATOM 726 CB ILE A 47 21.616 13.546 -12.379 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.203 12.730 -13.624 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.695 13.310 -11.169 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.044 11.224 -13.376 1.00 0.00 C ATOM 0 H ILE A 47 19.649 15.085 -13.050 1.00 0.00 H new ATOM 0 HA ILE A 47 22.136 15.471 -11.726 1.00 0.00 H new ATOM 0 HB ILE A 47 22.610 13.171 -12.137 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.260 13.124 -14.004 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.949 12.880 -14.404 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.617 12.240 -10.974 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.110 13.809 -10.293 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.705 13.713 -11.381 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.753 10.731 -14.304 1.00 0.00 H new ATOM 0 HD12 ILE A 47 21.990 10.811 -13.027 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.276 11.059 -12.621 1.00 0.00 H new ATOM 741 N ALA A 48 22.250 15.574 -15.023 1.00 0.00 N ATOM 742 CA ALA A 48 23.095 16.089 -16.105 1.00 0.00 C ATOM 743 C ALA A 48 23.635 17.505 -15.819 1.00 0.00 C ATOM 744 O ALA A 48 24.836 17.733 -15.953 1.00 0.00 O ATOM 745 CB ALA A 48 22.281 16.040 -17.403 1.00 0.00 C ATOM 0 H ALA A 48 21.297 15.351 -15.311 1.00 0.00 H new ATOM 0 HA ALA A 48 23.982 15.462 -16.195 1.00 0.00 H new ATOM 0 HB1 ALA A 48 22.886 16.418 -18.227 1.00 0.00 H new ATOM 0 HB2 ALA A 48 21.989 15.011 -17.610 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.388 16.656 -17.296 1.00 0.00 H new ATOM 751 N LYS A 49 22.795 18.437 -15.343 1.00 0.00 N ATOM 752 CA LYS A 49 23.224 19.803 -14.970 1.00 0.00 C ATOM 753 C LYS A 49 24.197 19.815 -13.783 1.00 0.00 C ATOM 754 O LYS A 49 25.162 20.577 -13.801 1.00 0.00 O ATOM 755 CB LYS A 49 21.987 20.677 -14.681 1.00 0.00 C ATOM 756 CG LYS A 49 21.204 21.076 -15.946 1.00 0.00 C ATOM 757 CD LYS A 49 21.930 22.137 -16.792 1.00 0.00 C ATOM 758 CE LYS A 49 21.083 22.488 -18.024 1.00 0.00 C ATOM 759 NZ LYS A 49 21.723 23.546 -18.859 1.00 0.00 N ATOM 0 H LYS A 49 21.798 18.270 -15.204 1.00 0.00 H new ATOM 0 HA LYS A 49 23.771 20.219 -15.816 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.321 20.138 -14.007 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.305 21.580 -14.160 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.032 20.189 -16.555 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.225 21.458 -15.656 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.109 23.031 -16.195 1.00 0.00 H new ATOM 0 HD3 LYS A 49 22.905 21.762 -17.104 1.00 0.00 H new ATOM 0 HE2 LYS A 49 20.931 21.593 -18.627 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.098 22.826 -17.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.119 23.753 -19.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.845 24.409 -18.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 22.652 23.214 -19.188 1.00 0.00 H new ATOM 773 N LEU A 50 24.002 18.927 -12.804 1.00 0.00 N ATOM 774 CA LEU A 50 24.943 18.739 -11.685 1.00 0.00 C ATOM 775 C LEU A 50 26.273 18.101 -12.123 1.00 0.00 C ATOM 776 O LEU A 50 27.325 18.528 -11.657 1.00 0.00 O ATOM 777 CB LEU A 50 24.260 17.921 -10.569 1.00 0.00 C ATOM 778 CG LEU A 50 23.579 18.754 -9.465 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.537 19.739 -9.982 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.875 17.834 -8.466 1.00 0.00 C ATOM 0 H LEU A 50 23.187 18.315 -12.761 1.00 0.00 H new ATOM 0 HA LEU A 50 25.204 19.724 -11.299 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.513 17.270 -11.023 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.006 17.275 -10.106 1.00 0.00 H new ATOM 0 HG LEU A 50 24.386 19.323 -9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.105 20.285 -9.143 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.010 20.442 -10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 50 21.750 19.195 -10.505 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.398 18.435 -7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.119 17.244 -8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.605 17.166 -8.009 1.00 0.00 H new ATOM 792 N LEU A 51 26.263 17.130 -13.041 1.00 0.00 N ATOM 793 CA LEU A 51 27.490 16.511 -13.577 1.00 0.00 C ATOM 794 C LEU A 51 28.255 17.455 -14.528 1.00 0.00 C ATOM 795 O LEU A 51 29.479 17.371 -14.622 1.00 0.00 O ATOM 796 CB LEU A 51 27.122 15.189 -14.280 1.00 0.00 C ATOM 797 CG LEU A 51 26.667 14.068 -13.323 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.031 12.934 -14.123 1.00 0.00 C ATOM 799 CD2 LEU A 51 27.819 13.490 -12.498 1.00 0.00 C ATOM 0 H LEU A 51 25.405 16.747 -13.437 1.00 0.00 H new ATOM 0 HA LEU A 51 28.164 16.307 -12.745 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.326 15.382 -14.999 1.00 0.00 H new ATOM 0 HB3 LEU A 51 27.985 14.839 -14.846 1.00 0.00 H new ATOM 0 HG LEU A 51 25.950 14.516 -12.635 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.711 12.144 -13.443 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.168 13.314 -14.670 1.00 0.00 H new ATOM 0 HD13 LEU A 51 26.759 12.533 -14.828 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.440 12.706 -11.843 1.00 0.00 H new ATOM 0 HD22 LEU A 51 28.571 13.072 -13.167 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.268 14.280 -11.896 1.00 0.00 H new ATOM 1252 N SER A 85 10.646 10.324 -12.309 1.00 0.00 N ATOM 1253 CA SER A 85 10.985 11.716 -11.969 1.00 0.00 C ATOM 1254 C SER A 85 10.001 12.368 -10.992 1.00 0.00 C ATOM 1255 O SER A 85 10.426 13.123 -10.122 1.00 0.00 O ATOM 1256 CB SER A 85 11.048 12.567 -13.239 1.00 0.00 C ATOM 1257 OG SER A 85 12.273 12.341 -13.917 1.00 0.00 O ATOM 0 HA SER A 85 11.956 11.674 -11.475 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.211 12.321 -13.893 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.954 13.623 -12.984 1.00 0.00 H new ATOM 0 HG SER A 85 12.185 12.617 -14.853 1.00 0.00 H new ATOM 1263 N GLN A 86 8.703 12.050 -11.068 1.00 0.00 N ATOM 1264 CA GLN A 86 7.693 12.603 -10.148 1.00 0.00 C ATOM 1265 C GLN A 86 7.885 12.105 -8.708 1.00 0.00 C ATOM 1266 O GLN A 86 7.841 12.907 -7.773 1.00 0.00 O ATOM 1267 CB GLN A 86 6.273 12.283 -10.663 1.00 0.00 C ATOM 1268 CG GLN A 86 5.921 12.962 -12.001 1.00 0.00 C ATOM 1269 CD GLN A 86 5.790 14.489 -11.940 1.00 0.00 C ATOM 1270 OE1 GLN A 86 5.854 15.131 -10.900 1.00 0.00 O ATOM 1271 NE2 GLN A 86 5.595 15.135 -13.071 1.00 0.00 N ATOM 0 H GLN A 86 8.322 11.407 -11.762 1.00 0.00 H new ATOM 0 HA GLN A 86 7.824 13.685 -10.124 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.175 11.204 -10.779 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.547 12.590 -9.910 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.688 12.707 -12.733 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.982 12.546 -12.366 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.538 14.620 -13.949 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.501 16.151 -13.068 1.00 0.00 H new ATOM 1280 N GLN A 87 8.181 10.812 -8.509 1.00 0.00 N ATOM 1281 CA GLN A 87 8.471 10.267 -7.172 1.00 0.00 C ATOM 1282 C GLN A 87 9.784 10.826 -6.611 1.00 0.00 C ATOM 1283 O GLN A 87 9.838 11.208 -5.442 1.00 0.00 O ATOM 1284 CB GLN A 87 8.535 8.731 -7.189 1.00 0.00 C ATOM 1285 CG GLN A 87 7.267 8.048 -7.722 1.00 0.00 C ATOM 1286 CD GLN A 87 7.164 6.608 -7.218 1.00 0.00 C ATOM 1287 OE1 GLN A 87 6.321 6.272 -6.398 1.00 0.00 O ATOM 1288 NE2 GLN A 87 8.022 5.709 -7.644 1.00 0.00 N ATOM 0 H GLN A 87 8.226 10.122 -9.259 1.00 0.00 H new ATOM 0 HA GLN A 87 7.650 10.577 -6.525 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.383 8.422 -7.800 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.725 8.376 -6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.388 8.610 -7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.277 8.055 -8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.734 5.967 -8.328 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.977 4.753 -7.291 1.00 0.00 H new ATOM 1297 N ILE A 88 10.818 10.941 -7.455 1.00 0.00 N ATOM 1298 CA ILE A 88 12.094 11.560 -7.071 1.00 0.00 C ATOM 1299 C ILE A 88 11.888 13.028 -6.687 1.00 0.00 C ATOM 1300 O ILE A 88 12.336 13.425 -5.620 1.00 0.00 O ATOM 1301 CB ILE A 88 13.161 11.380 -8.179 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.515 9.895 -8.431 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.440 12.175 -7.849 1.00 0.00 C ATOM 1304 CD1 ILE A 88 14.253 9.169 -7.295 1.00 0.00 C ATOM 0 H ILE A 88 10.794 10.609 -8.419 1.00 0.00 H new ATOM 0 HA ILE A 88 12.476 11.048 -6.188 1.00 0.00 H new ATOM 0 HB ILE A 88 12.719 11.772 -9.095 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.592 9.354 -8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.129 9.837 -9.330 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.173 12.031 -8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.198 13.235 -7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.854 11.822 -6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.446 8.137 -7.588 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.199 9.673 -7.095 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.638 9.182 -6.395 1.00 0.00 H new ATOM 1316 N LEU A 89 11.162 13.825 -7.477 1.00 0.00 N ATOM 1317 CA LEU A 89 10.866 15.225 -7.146 1.00 0.00 C ATOM 1318 C LEU A 89 10.109 15.351 -5.823 1.00 0.00 C ATOM 1319 O LEU A 89 10.529 16.131 -4.975 1.00 0.00 O ATOM 1320 CB LEU A 89 10.071 15.863 -8.308 1.00 0.00 C ATOM 1321 CG LEU A 89 9.597 17.312 -8.056 1.00 0.00 C ATOM 1322 CD1 LEU A 89 10.765 18.292 -7.934 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.699 17.772 -9.199 1.00 0.00 C ATOM 0 H LEU A 89 10.762 13.519 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 89 11.807 15.759 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.692 15.850 -9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.199 15.242 -8.516 1.00 0.00 H new ATOM 0 HG LEU A 89 9.052 17.307 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.380 19.296 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.403 17.996 -7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.346 18.283 -8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.369 18.794 -9.014 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.255 17.734 -10.136 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.830 17.117 -9.266 1.00 0.00 H new ATOM 1335 N ASN A 90 9.040 14.574 -5.629 1.00 0.00 N ATOM 1336 CA ASN A 90 8.251 14.613 -4.396 1.00 0.00 C ATOM 1337 C ASN A 90 9.130 14.297 -3.171 1.00 0.00 C ATOM 1338 O ASN A 90 9.249 15.116 -2.257 1.00 0.00 O ATOM 1339 CB ASN A 90 7.062 13.642 -4.555 1.00 0.00 C ATOM 1340 CG ASN A 90 6.065 13.682 -3.401 1.00 0.00 C ATOM 1341 OD1 ASN A 90 6.086 14.544 -2.534 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.141 12.748 -3.361 1.00 0.00 N ATOM 0 H ASN A 90 8.699 13.904 -6.318 1.00 0.00 H new ATOM 0 HA ASN A 90 7.857 15.614 -4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.538 13.875 -5.482 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.447 12.627 -4.653 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.450 12.746 -2.611 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.115 12.025 -4.080 1.00 0.00 H new ATOM 1349 N ARG A 91 9.846 13.163 -3.190 1.00 0.00 N ATOM 1350 CA ARG A 91 10.696 12.752 -2.061 1.00 0.00 C ATOM 1351 C ARG A 91 11.894 13.683 -1.857 1.00 0.00 C ATOM 1352 O ARG A 91 12.223 13.962 -0.711 1.00 0.00 O ATOM 1353 CB ARG A 91 11.064 11.263 -2.217 1.00 0.00 C ATOM 1354 CG ARG A 91 11.785 10.623 -1.011 1.00 0.00 C ATOM 1355 CD ARG A 91 11.101 10.809 0.355 1.00 0.00 C ATOM 1356 NE ARG A 91 9.630 10.633 0.280 1.00 0.00 N ATOM 1357 CZ ARG A 91 8.723 11.476 0.748 1.00 0.00 C ATOM 1358 NH1 ARG A 91 9.013 12.430 1.571 1.00 0.00 N ATOM 1359 NH2 ARG A 91 7.487 11.442 0.357 1.00 0.00 N ATOM 0 H ARG A 91 9.854 12.513 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 91 10.135 12.851 -1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.151 10.700 -2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.699 11.155 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.891 9.555 -1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.791 11.038 -0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.514 10.093 1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.326 11.804 0.738 1.00 0.00 H new ATOM 0 HE ARG A 91 9.286 9.786 -0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.975 12.557 1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.280 13.056 1.905 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.189 10.751 -0.331 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.813 12.106 0.738 1.00 0.00 H new ATOM 1373 N LEU A 92 12.487 14.231 -2.921 1.00 0.00 N ATOM 1374 CA LEU A 92 13.597 15.190 -2.829 1.00 0.00 C ATOM 1375 C LEU A 92 13.134 16.505 -2.207 1.00 0.00 C ATOM 1376 O LEU A 92 13.731 16.967 -1.237 1.00 0.00 O ATOM 1377 CB LEU A 92 14.197 15.367 -4.241 1.00 0.00 C ATOM 1378 CG LEU A 92 15.375 16.334 -4.439 1.00 0.00 C ATOM 1379 CD1 LEU A 92 14.981 17.806 -4.452 1.00 0.00 C ATOM 1380 CD2 LEU A 92 16.493 16.144 -3.415 1.00 0.00 C ATOM 0 H LEU A 92 12.210 14.021 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 92 14.376 14.814 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.517 14.384 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.392 15.691 -4.901 1.00 0.00 H new ATOM 0 HG LEU A 92 15.743 16.068 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.870 18.419 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.279 17.988 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.511 18.065 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.293 16.858 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.099 16.308 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.886 15.130 -3.489 1.00 0.00 H new ATOM 1392 N ARG A 93 12.046 17.085 -2.726 1.00 0.00 N ATOM 1393 CA ARG A 93 11.515 18.371 -2.254 1.00 0.00 C ATOM 1394 C ARG A 93 11.065 18.271 -0.801 1.00 0.00 C ATOM 1395 O ARG A 93 11.409 19.143 -0.009 1.00 0.00 O ATOM 1396 CB ARG A 93 10.418 18.853 -3.224 1.00 0.00 C ATOM 1397 CG ARG A 93 9.865 20.239 -2.852 1.00 0.00 C ATOM 1398 CD ARG A 93 9.026 20.828 -3.996 1.00 0.00 C ATOM 1399 NE ARG A 93 8.302 22.037 -3.556 1.00 0.00 N ATOM 1400 CZ ARG A 93 8.011 23.115 -4.269 1.00 0.00 C ATOM 1401 NH1 ARG A 93 8.446 23.310 -5.481 1.00 0.00 N ATOM 1402 NH2 ARG A 93 7.253 24.044 -3.761 1.00 0.00 N ATOM 0 H ARG A 93 11.506 16.675 -3.488 1.00 0.00 H new ATOM 0 HA ARG A 93 12.296 19.131 -2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.822 18.887 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.602 18.131 -3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.254 20.160 -1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.690 20.912 -2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.674 21.074 -4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.314 20.083 -4.350 1.00 0.00 H new ATOM 0 HE ARG A 93 7.988 22.043 -2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.042 22.613 -5.927 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.190 24.160 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.884 23.941 -2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.028 24.875 -4.309 1.00 0.00 H new ATOM 1416 N GLU A 94 10.416 17.181 -0.398 1.00 0.00 N ATOM 1417 CA GLU A 94 10.058 16.972 1.010 1.00 0.00 C ATOM 1418 C GLU A 94 11.285 16.732 1.908 1.00 0.00 C ATOM 1419 O GLU A 94 11.403 17.387 2.945 1.00 0.00 O ATOM 1420 CB GLU A 94 9.034 15.837 1.142 1.00 0.00 C ATOM 1421 CG GLU A 94 7.684 16.206 0.512 1.00 0.00 C ATOM 1422 CD GLU A 94 6.550 15.232 0.909 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.818 14.045 1.223 1.00 0.00 O ATOM 1424 OE2 GLU A 94 5.370 15.663 0.948 1.00 0.00 O ATOM 0 H GLU A 94 10.126 16.428 -1.022 1.00 0.00 H new ATOM 0 HA GLU A 94 9.600 17.895 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.424 14.939 0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.890 15.599 2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.411 17.217 0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.785 16.215 -0.573 1.00 0.00 H new ATOM 1431 N ARG A 95 12.237 15.863 1.516 1.00 0.00 N ATOM 1432 CA ARG A 95 13.416 15.555 2.358 1.00 0.00 C ATOM 1433 C ARG A 95 14.393 16.730 2.512 1.00 0.00 C ATOM 1434 O ARG A 95 15.092 16.797 3.520 1.00 0.00 O ATOM 1435 CB ARG A 95 14.083 14.221 1.947 1.00 0.00 C ATOM 1436 CG ARG A 95 14.976 14.264 0.692 1.00 0.00 C ATOM 1437 CD ARG A 95 16.459 14.010 0.991 1.00 0.00 C ATOM 1438 NE ARG A 95 16.742 12.587 1.260 1.00 0.00 N ATOM 1439 CZ ARG A 95 17.932 12.027 1.359 1.00 0.00 C ATOM 1440 NH1 ARG A 95 19.052 12.674 1.284 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.055 10.753 1.539 1.00 0.00 N ATOM 0 H ARG A 95 12.216 15.363 0.627 1.00 0.00 H new ATOM 0 HA ARG A 95 13.042 15.402 3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.685 13.867 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.299 13.482 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.624 13.519 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.871 15.238 0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 95 17.060 14.344 0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.761 14.607 1.852 1.00 0.00 H new ATOM 0 HE ARG A 95 15.936 11.974 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 95 19.049 13.684 1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 95 19.937 12.174 1.370 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.224 10.165 1.607 1.00 0.00 H new ATOM 0 HH22 ARG A 95 18.983 10.336 1.613 1.00 0.00 H new ATOM 1455 N VAL A 96 14.422 17.671 1.557 1.00 0.00 N ATOM 1456 CA VAL A 96 15.217 18.915 1.673 1.00 0.00 C ATOM 1457 C VAL A 96 14.469 20.075 2.351 1.00 0.00 C ATOM 1458 O VAL A 96 15.095 20.826 3.099 1.00 0.00 O ATOM 1459 CB VAL A 96 15.813 19.323 0.310 1.00 0.00 C ATOM 1460 CG1 VAL A 96 14.790 19.966 -0.630 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.982 20.301 0.468 1.00 0.00 C ATOM 0 H VAL A 96 13.900 17.597 0.684 1.00 0.00 H new ATOM 0 HA VAL A 96 16.041 18.684 2.347 1.00 0.00 H new ATOM 0 HB VAL A 96 16.157 18.387 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 96 15.275 20.229 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 96 13.981 19.262 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.385 20.866 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 96 17.373 20.563 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.636 21.203 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 96 17.770 19.834 1.059 1.00 0.00 H new ATOM 1471 N SER A 97 13.155 20.244 2.127 1.00 0.00 N ATOM 1472 CA SER A 97 12.408 21.410 2.652 1.00 0.00 C ATOM 1473 C SER A 97 11.745 21.186 4.026 1.00 0.00 C ATOM 1474 O SER A 97 11.464 22.159 4.730 1.00 0.00 O ATOM 1475 CB SER A 97 11.370 21.916 1.640 1.00 0.00 C ATOM 1476 OG SER A 97 10.289 21.011 1.498 1.00 0.00 O ATOM 0 H SER A 97 12.585 19.592 1.588 1.00 0.00 H new ATOM 0 HA SER A 97 13.170 22.174 2.807 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.992 22.886 1.962 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.849 22.065 0.672 1.00 0.00 H new ATOM 0 HG SER A 97 10.532 20.309 0.858 1.00 0.00 H new