USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 579 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 27 ASN : amide:sc= -2.61 K(o=-1.1,f=-3.6!) USER MOD Set 1.2: A 29 THR OG1 : rot -1:sc= 1.53 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -164:sc= -0.0393 (180deg=-0.333) USER MOD Single : A 20 MET CE :methyl -167:sc= -6.66! (180deg=-7.77!) USER MOD Single : A 23 THR OG1 : rot 154:sc= 1.28 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 62:sc=-0.000487 USER MOD Single : A 37 THR OG1 : rot -73:sc= 1.26 USER MOD Single : A 38 SER OG : rot -82:sc= 1.24 USER MOD Single : A 41 GLN : amide:sc= 1.11 K(o=1.1,f=-0.43) USER MOD Single : A 43 SER OG : rot -97:sc= 1.23 USER MOD Single : A 46 ASN : amide:sc=-0.00724 X(o=-0.0072,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.77) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.16 K(o=-1.2,f=-5.5!) USER MOD Single : A 58 SER OG : rot -68:sc= 0.975 USER MOD Single : A 64 MET CE :methyl -149:sc= -0.247 (180deg=-2.58!) USER MOD Single : A 69 SER OG : rot 33:sc= 1.22 USER MOD Single : A 70 TYR OH : rot 56:sc= 1.17 USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= -0.0569 (180deg=-0.341) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -5! K(o=-5!,f=-0.86) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 -0.321 14.289 0.754 1.00 0.00 N ATOM 234 CA LYS A 16 0.528 14.077 -0.397 1.00 0.00 C ATOM 235 C LYS A 16 0.122 12.800 -1.108 1.00 0.00 C ATOM 236 O LYS A 16 -0.127 11.804 -0.477 1.00 0.00 O ATOM 237 CB LYS A 16 1.989 13.979 0.084 1.00 0.00 C ATOM 238 CG LYS A 16 3.045 13.800 -1.006 1.00 0.00 C ATOM 239 CD LYS A 16 3.113 14.997 -1.940 1.00 0.00 C ATOM 240 CE LYS A 16 4.259 14.854 -2.923 1.00 0.00 C ATOM 241 NZ LYS A 16 4.389 16.020 -3.829 1.00 0.00 N ATOM 0 HA LYS A 16 0.426 14.907 -1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.226 14.882 0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.066 13.142 0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.020 13.646 -0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.821 12.903 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.173 15.093 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.240 15.910 -1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.190 14.723 -2.372 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.111 13.953 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.187 15.868 -4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.513 16.133 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.558 16.879 -3.267 1.00 0.00 H new ATOM 255 N THR A 17 0.045 12.844 -2.406 1.00 0.00 N ATOM 256 CA THR A 17 -0.268 11.669 -3.176 1.00 0.00 C ATOM 257 C THR A 17 0.869 10.642 -3.028 1.00 0.00 C ATOM 258 O THR A 17 2.022 10.920 -3.378 1.00 0.00 O ATOM 259 CB THR A 17 -0.447 12.057 -4.655 1.00 0.00 C ATOM 260 OG1 THR A 17 -1.521 13.019 -4.779 1.00 0.00 O ATOM 261 CG2 THR A 17 -0.738 10.844 -5.521 1.00 0.00 C ATOM 0 H THR A 17 0.196 13.687 -2.960 1.00 0.00 H new ATOM 0 HA THR A 17 -1.195 11.226 -2.812 1.00 0.00 H new ATOM 0 HB THR A 17 0.487 12.498 -5.003 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.632 13.266 -5.721 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.858 11.158 -6.558 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.090 10.138 -5.449 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.655 10.364 -5.179 1.00 0.00 H new ATOM 269 N LEU A 18 0.560 9.502 -2.485 1.00 0.00 N ATOM 270 CA LEU A 18 1.550 8.486 -2.280 1.00 0.00 C ATOM 271 C LEU A 18 1.011 7.208 -2.930 1.00 0.00 C ATOM 272 O LEU A 18 -0.001 6.687 -2.543 1.00 0.00 O ATOM 273 CB LEU A 18 1.781 8.289 -0.746 1.00 0.00 C ATOM 274 CG LEU A 18 3.170 7.915 -0.219 1.00 0.00 C ATOM 275 CD1 LEU A 18 3.755 6.684 -0.816 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.146 9.078 -0.193 1.00 0.00 C ATOM 0 H LEU A 18 -0.378 9.251 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 18 2.509 8.755 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.487 9.215 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.089 7.516 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 18 2.985 7.654 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.738 6.500 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.103 5.835 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.853 6.814 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.107 8.738 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.276 9.466 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.756 9.866 0.451 1.00 0.00 H new ATOM 288 N MET A 19 1.618 6.780 -3.969 1.00 0.00 N ATOM 289 CA MET A 19 1.214 5.524 -4.594 1.00 0.00 C ATOM 290 C MET A 19 2.082 4.395 -4.065 1.00 0.00 C ATOM 291 O MET A 19 3.307 4.403 -4.252 1.00 0.00 O ATOM 292 CB MET A 19 1.229 5.611 -6.144 1.00 0.00 C ATOM 293 CG MET A 19 2.536 6.111 -6.745 1.00 0.00 C ATOM 294 SD MET A 19 2.498 6.249 -8.544 1.00 0.00 S ATOM 295 CE MET A 19 2.297 4.542 -9.027 1.00 0.00 C ATOM 0 H MET A 19 2.396 7.258 -4.424 1.00 0.00 H new ATOM 0 HA MET A 19 0.178 5.315 -4.326 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.013 4.623 -6.551 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.423 6.271 -6.464 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.772 7.086 -6.319 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.341 5.434 -6.458 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.539 4.432 -10.084 1.00 0.00 H new ATOM 0 HE2 MET A 19 2.964 3.915 -8.435 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.265 4.235 -8.857 1.00 0.00 H new ATOM 305 N MET A 20 1.480 3.457 -3.353 1.00 0.00 N ATOM 306 CA MET A 20 2.260 2.393 -2.754 1.00 0.00 C ATOM 307 C MET A 20 2.247 1.140 -3.591 1.00 0.00 C ATOM 308 O MET A 20 1.184 0.545 -3.794 1.00 0.00 O ATOM 309 CB MET A 20 1.784 2.064 -1.355 1.00 0.00 C ATOM 310 CG MET A 20 2.700 1.078 -0.662 1.00 0.00 C ATOM 311 SD MET A 20 2.207 0.681 1.011 1.00 0.00 S ATOM 312 CE MET A 20 1.833 2.305 1.670 1.00 0.00 C ATOM 0 H MET A 20 0.476 3.411 -3.179 1.00 0.00 H new ATOM 0 HA MET A 20 3.283 2.766 -2.701 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.726 2.980 -0.767 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.776 1.651 -1.403 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.737 0.159 -1.247 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.711 1.486 -0.645 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.737 2.245 2.754 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.637 2.995 1.414 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.897 2.664 1.243 1.00 0.00 H new ATOM 322 N PHE A 21 3.441 0.749 -4.018 1.00 0.00 N ATOM 323 CA PHE A 21 3.716 -0.423 -4.842 1.00 0.00 C ATOM 324 C PHE A 21 4.376 -1.457 -3.931 1.00 0.00 C ATOM 325 O PHE A 21 5.428 -1.203 -3.350 1.00 0.00 O ATOM 326 CB PHE A 21 4.670 0.044 -5.983 1.00 0.00 C ATOM 327 CG PHE A 21 5.257 -0.974 -6.963 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.003 -2.061 -6.531 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.116 -0.779 -8.334 1.00 0.00 C ATOM 330 CE1 PHE A 21 6.578 -2.929 -7.432 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.687 -1.654 -9.238 1.00 0.00 C ATOM 332 CZ PHE A 21 6.417 -2.728 -8.785 1.00 0.00 C ATOM 0 H PHE A 21 4.289 1.268 -3.787 1.00 0.00 H new ATOM 0 HA PHE A 21 2.826 -0.866 -5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.130 0.785 -6.572 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.507 0.559 -5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.135 -2.229 -5.472 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.552 0.068 -8.696 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.156 -3.769 -7.077 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.560 -1.495 -10.299 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.864 -3.413 -9.490 1.00 0.00 H new ATOM 342 N VAL A 22 3.764 -2.584 -3.782 1.00 0.00 N ATOM 343 CA VAL A 22 4.266 -3.582 -2.864 1.00 0.00 C ATOM 344 C VAL A 22 4.441 -4.954 -3.504 1.00 0.00 C ATOM 345 O VAL A 22 3.528 -5.461 -4.203 1.00 0.00 O ATOM 346 CB VAL A 22 3.417 -3.607 -1.536 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.976 -3.256 -1.810 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.472 -4.957 -0.810 1.00 0.00 C ATOM 0 H VAL A 22 2.914 -2.848 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 22 5.277 -3.286 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 22 3.868 -2.859 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.412 -3.280 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.921 -2.257 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.553 -3.977 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.867 -4.908 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.084 -5.738 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.504 -5.186 -0.545 1.00 0.00 H new ATOM 358 N THR A 23 5.651 -5.493 -3.311 1.00 0.00 N ATOM 359 CA THR A 23 6.044 -6.794 -3.752 1.00 0.00 C ATOM 360 C THR A 23 5.625 -7.877 -2.651 1.00 0.00 C ATOM 361 O THR A 23 5.741 -7.607 -1.436 1.00 0.00 O ATOM 362 CB THR A 23 7.576 -6.810 -3.956 1.00 0.00 C ATOM 363 OG1 THR A 23 7.942 -5.748 -4.859 1.00 0.00 O ATOM 364 CG2 THR A 23 8.053 -8.137 -4.518 1.00 0.00 C ATOM 0 H THR A 23 6.397 -4.998 -2.822 1.00 0.00 H new ATOM 0 HA THR A 23 5.550 -7.037 -4.693 1.00 0.00 H new ATOM 0 HB THR A 23 8.051 -6.667 -2.985 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.867 -5.476 -4.686 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.135 -8.109 -4.647 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.790 -8.940 -3.829 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.577 -8.316 -5.482 1.00 0.00 H new ATOM 372 N VAL A 24 5.176 -9.079 -3.079 1.00 0.00 N ATOM 373 CA VAL A 24 4.583 -10.096 -2.244 1.00 0.00 C ATOM 374 C VAL A 24 5.255 -11.472 -2.575 1.00 0.00 C ATOM 375 O VAL A 24 5.547 -11.682 -3.732 1.00 0.00 O ATOM 376 CB VAL A 24 3.100 -10.169 -2.724 1.00 0.00 C ATOM 377 CG1 VAL A 24 2.357 -11.365 -2.215 1.00 0.00 C ATOM 378 CG2 VAL A 24 2.357 -8.896 -2.382 1.00 0.00 C ATOM 0 H VAL A 24 5.229 -9.358 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 24 4.690 -9.882 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 24 3.146 -10.280 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.334 -11.345 -2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.852 -12.274 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.343 -11.348 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.326 -8.973 -2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.368 -8.747 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.841 -8.050 -2.870 1.00 0.00 H new ATOM 388 N SER A 25 5.568 -12.398 -1.616 1.00 0.00 N ATOM 389 CA SER A 25 5.928 -13.702 -2.097 1.00 0.00 C ATOM 390 C SER A 25 4.855 -14.794 -1.798 1.00 0.00 C ATOM 391 O SER A 25 3.752 -14.676 -2.329 1.00 0.00 O ATOM 392 CB SER A 25 7.454 -14.106 -1.987 1.00 0.00 C ATOM 393 OG SER A 25 7.701 -15.328 -2.669 1.00 0.00 O ATOM 0 H SER A 25 5.571 -12.257 -0.606 1.00 0.00 H new ATOM 0 HA SER A 25 5.881 -13.616 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.076 -13.316 -2.409 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.734 -14.206 -0.938 1.00 0.00 H new ATOM 0 HG SER A 25 8.650 -15.560 -2.591 1.00 0.00 H new ATOM 399 N GLY A 26 5.095 -15.771 -0.897 1.00 0.00 N ATOM 400 CA GLY A 26 4.166 -16.875 -0.714 1.00 0.00 C ATOM 401 C GLY A 26 4.023 -17.740 -1.984 1.00 0.00 C ATOM 402 O GLY A 26 4.517 -18.868 -2.011 1.00 0.00 O ATOM 0 H GLY A 26 5.919 -15.806 -0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.507 -17.500 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.189 -16.481 -0.434 1.00 0.00 H new ATOM 406 N ASN A 27 3.360 -17.246 -3.024 1.00 0.00 N ATOM 407 CA ASN A 27 3.252 -17.943 -4.252 1.00 0.00 C ATOM 408 C ASN A 27 3.965 -17.050 -5.256 1.00 0.00 C ATOM 409 O ASN A 27 3.806 -15.842 -5.206 1.00 0.00 O ATOM 410 CB ASN A 27 1.762 -18.164 -4.568 1.00 0.00 C ATOM 411 CG ASN A 27 1.471 -19.016 -5.793 1.00 0.00 C ATOM 412 OD1 ASN A 27 2.275 -19.849 -6.210 1.00 0.00 O ATOM 413 ND2 ASN A 27 0.276 -18.899 -6.303 1.00 0.00 N ATOM 0 H ASN A 27 2.887 -16.342 -3.015 1.00 0.00 H new ATOM 0 HA ASN A 27 3.701 -18.936 -4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.291 -18.630 -3.703 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.289 -17.191 -4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.014 -19.508 -7.069 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.369 -18.199 -5.936 1.00 0.00 H new ATOM 420 N PRO A 28 4.839 -17.572 -6.080 1.00 0.00 N ATOM 421 CA PRO A 28 5.590 -16.750 -7.012 1.00 0.00 C ATOM 422 C PRO A 28 4.914 -16.612 -8.378 1.00 0.00 C ATOM 423 O PRO A 28 5.599 -16.597 -9.412 1.00 0.00 O ATOM 424 CB PRO A 28 6.890 -17.549 -7.145 1.00 0.00 C ATOM 425 CG PRO A 28 6.473 -18.980 -7.007 1.00 0.00 C ATOM 426 CD PRO A 28 5.224 -18.992 -6.162 1.00 0.00 C ATOM 0 HA PRO A 28 5.703 -15.723 -6.665 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.370 -17.367 -8.107 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.607 -17.269 -6.373 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.282 -19.423 -7.985 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.262 -19.569 -6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.438 -19.593 -6.619 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.414 -19.412 -5.174 1.00 0.00 H new ATOM 434 N THR A 29 3.600 -16.427 -8.422 1.00 0.00 N ATOM 435 CA THR A 29 2.956 -16.436 -9.727 1.00 0.00 C ATOM 436 C THR A 29 2.152 -15.161 -9.952 1.00 0.00 C ATOM 437 O THR A 29 2.696 -14.066 -9.828 1.00 0.00 O ATOM 438 CB THR A 29 2.076 -17.698 -9.910 1.00 0.00 C ATOM 439 OG1 THR A 29 1.107 -17.784 -8.848 1.00 0.00 O ATOM 440 CG2 THR A 29 2.924 -18.967 -9.923 1.00 0.00 C ATOM 0 H THR A 29 2.989 -16.277 -7.619 1.00 0.00 H new ATOM 0 HA THR A 29 3.739 -16.470 -10.484 1.00 0.00 H new ATOM 0 HB THR A 29 1.566 -17.611 -10.869 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.225 -17.028 -8.236 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.278 -19.835 -10.053 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.637 -18.919 -10.746 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.463 -19.054 -8.980 1.00 0.00 H new ATOM 448 N GLU A 30 0.905 -15.313 -10.358 1.00 0.00 N ATOM 449 CA GLU A 30 -0.031 -14.241 -10.455 1.00 0.00 C ATOM 450 C GLU A 30 -1.348 -14.730 -9.810 1.00 0.00 C ATOM 451 O GLU A 30 -2.400 -14.081 -9.880 1.00 0.00 O ATOM 452 CB GLU A 30 -0.222 -13.844 -11.926 1.00 0.00 C ATOM 453 CG GLU A 30 -0.973 -12.546 -12.134 1.00 0.00 C ATOM 454 CD GLU A 30 -1.054 -12.152 -13.576 1.00 0.00 C ATOM 455 OE1 GLU A 30 -0.052 -11.656 -14.127 1.00 0.00 O ATOM 456 OE2 GLU A 30 -2.134 -12.287 -14.189 1.00 0.00 O ATOM 0 H GLU A 30 0.518 -16.216 -10.634 1.00 0.00 H new ATOM 0 HA GLU A 30 0.321 -13.350 -9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.758 -13.762 -12.397 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.756 -14.644 -12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.981 -12.645 -11.731 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.482 -11.752 -11.571 1.00 0.00 H new ATOM 463 N LYS A 31 -1.256 -15.862 -9.121 1.00 0.00 N ATOM 464 CA LYS A 31 -2.406 -16.455 -8.465 1.00 0.00 C ATOM 465 C LYS A 31 -2.546 -15.833 -7.100 1.00 0.00 C ATOM 466 O LYS A 31 -3.661 -15.579 -6.594 1.00 0.00 O ATOM 467 CB LYS A 31 -2.256 -17.983 -8.365 1.00 0.00 C ATOM 468 CG LYS A 31 -3.515 -18.712 -7.879 1.00 0.00 C ATOM 469 CD LYS A 31 -3.648 -18.708 -6.366 1.00 0.00 C ATOM 470 CE LYS A 31 -5.072 -18.958 -5.939 1.00 0.00 C ATOM 471 NZ LYS A 31 -5.186 -19.151 -4.473 1.00 0.00 N ATOM 0 H LYS A 31 -0.389 -16.387 -9.004 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.305 -16.262 -9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.980 -18.374 -9.344 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.434 -18.212 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.395 -18.241 -8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.494 -19.742 -8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.999 -19.473 -5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.311 -17.749 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.695 -18.117 -6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.455 -19.840 -6.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.181 -19.320 -4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.612 -19.969 -4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.845 -18.299 -3.983 1.00 0.00 H new ATOM 485 N GLU A 32 -1.437 -15.580 -6.504 1.00 0.00 N ATOM 486 CA GLU A 32 -1.419 -14.900 -5.251 1.00 0.00 C ATOM 487 C GLU A 32 -1.935 -13.492 -5.534 1.00 0.00 C ATOM 488 O GLU A 32 -2.838 -13.032 -4.885 1.00 0.00 O ATOM 489 CB GLU A 32 0.009 -14.977 -4.576 1.00 0.00 C ATOM 490 CG GLU A 32 1.136 -14.232 -5.256 1.00 0.00 C ATOM 491 CD GLU A 32 1.246 -14.637 -6.687 1.00 0.00 C ATOM 492 OE1 GLU A 32 1.423 -15.848 -6.984 1.00 0.00 O ATOM 493 OE2 GLU A 32 0.957 -13.803 -7.526 1.00 0.00 O ATOM 0 H GLU A 32 -0.518 -15.835 -6.865 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.065 -15.364 -4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.078 -14.600 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.293 -16.027 -4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.962 -13.158 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.075 -14.435 -4.742 1.00 0.00 H new ATOM 500 N THR A 33 -1.404 -12.908 -6.600 1.00 0.00 N ATOM 501 CA THR A 33 -1.851 -11.664 -7.193 1.00 0.00 C ATOM 502 C THR A 33 -3.366 -11.617 -7.324 1.00 0.00 C ATOM 503 O THR A 33 -3.970 -10.708 -6.841 1.00 0.00 O ATOM 504 CB THR A 33 -1.270 -11.511 -8.606 1.00 0.00 C ATOM 505 OG1 THR A 33 0.132 -11.604 -8.551 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.652 -10.176 -9.220 1.00 0.00 C ATOM 0 H THR A 33 -0.610 -13.313 -7.096 1.00 0.00 H new ATOM 0 HA THR A 33 -1.511 -10.863 -6.536 1.00 0.00 H new ATOM 0 HB THR A 33 -1.680 -12.308 -9.226 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.388 -12.486 -8.209 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.225 -10.100 -10.220 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.738 -10.102 -9.283 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.268 -9.367 -8.599 1.00 0.00 H new ATOM 514 N GLU A 34 -3.969 -12.613 -7.968 1.00 0.00 N ATOM 515 CA GLU A 34 -5.410 -12.596 -8.201 1.00 0.00 C ATOM 516 C GLU A 34 -6.219 -12.635 -6.892 1.00 0.00 C ATOM 517 O GLU A 34 -7.103 -11.770 -6.669 1.00 0.00 O ATOM 518 CB GLU A 34 -5.835 -13.694 -9.182 1.00 0.00 C ATOM 519 CG GLU A 34 -5.623 -15.111 -8.668 1.00 0.00 C ATOM 520 CD GLU A 34 -5.976 -16.174 -9.662 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.177 -16.437 -10.582 1.00 0.00 O ATOM 522 OE2 GLU A 34 -7.068 -16.764 -9.553 1.00 0.00 O ATOM 0 H GLU A 34 -3.488 -13.434 -8.335 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.644 -11.640 -8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.890 -13.561 -9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.278 -13.570 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.579 -15.230 -8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.222 -15.255 -7.769 1.00 0.00 H new ATOM 529 N GLU A 35 -5.872 -13.587 -6.012 1.00 0.00 N ATOM 530 CA GLU A 35 -6.552 -13.759 -4.713 1.00 0.00 C ATOM 531 C GLU A 35 -6.411 -12.463 -3.925 1.00 0.00 C ATOM 532 O GLU A 35 -7.391 -11.816 -3.512 1.00 0.00 O ATOM 533 CB GLU A 35 -5.847 -14.902 -3.900 1.00 0.00 C ATOM 534 CG GLU A 35 -6.476 -15.175 -2.547 1.00 0.00 C ATOM 535 CD GLU A 35 -7.873 -15.749 -2.655 1.00 0.00 C ATOM 536 OE1 GLU A 35 -8.798 -15.049 -3.137 1.00 0.00 O ATOM 537 OE2 GLU A 35 -8.066 -16.926 -2.285 1.00 0.00 O ATOM 0 H GLU A 35 -5.119 -14.255 -6.176 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.600 -14.009 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.866 -15.818 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.799 -14.638 -3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.845 -15.869 -1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.512 -14.248 -1.974 1.00 0.00 H new ATOM 544 N ILE A 36 -5.200 -12.099 -3.779 1.00 0.00 N ATOM 545 CA ILE A 36 -4.793 -10.975 -3.057 1.00 0.00 C ATOM 546 C ILE A 36 -5.337 -9.657 -3.656 1.00 0.00 C ATOM 547 O ILE A 36 -5.853 -8.889 -2.934 1.00 0.00 O ATOM 548 CB ILE A 36 -3.256 -11.040 -2.897 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.764 -11.761 -1.622 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.510 -9.802 -3.182 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.297 -12.160 -1.740 1.00 0.00 C ATOM 0 H ILE A 36 -4.421 -12.614 -4.188 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.230 -10.982 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.990 -11.694 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.897 -11.109 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.371 -12.649 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.444 -9.977 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.688 -9.499 -4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.845 -9.012 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.983 -12.665 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.170 -12.832 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.688 -11.268 -1.890 1.00 0.00 H new ATOM 563 N THR A 37 -5.331 -9.451 -4.978 1.00 0.00 N ATOM 564 CA THR A 37 -5.793 -8.161 -5.505 1.00 0.00 C ATOM 565 C THR A 37 -7.280 -8.002 -5.360 1.00 0.00 C ATOM 566 O THR A 37 -7.757 -6.907 -5.011 1.00 0.00 O ATOM 567 CB THR A 37 -5.392 -7.872 -6.974 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.674 -9.010 -7.800 1.00 0.00 O ATOM 569 CG2 THR A 37 -3.925 -7.460 -7.105 1.00 0.00 C ATOM 0 H THR A 37 -5.026 -10.128 -5.677 1.00 0.00 H new ATOM 0 HA THR A 37 -5.272 -7.428 -4.889 1.00 0.00 H new ATOM 0 HB THR A 37 -5.991 -7.027 -7.314 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.025 -9.720 -7.612 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.693 -7.268 -8.153 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.748 -6.556 -6.523 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.287 -8.262 -6.733 1.00 0.00 H new ATOM 577 N SER A 38 -8.021 -9.086 -5.596 1.00 0.00 N ATOM 578 CA SER A 38 -9.446 -9.031 -5.464 1.00 0.00 C ATOM 579 C SER A 38 -9.822 -8.727 -4.020 1.00 0.00 C ATOM 580 O SER A 38 -10.533 -7.737 -3.744 1.00 0.00 O ATOM 581 CB SER A 38 -10.092 -10.321 -5.982 1.00 0.00 C ATOM 582 OG SER A 38 -9.495 -11.466 -5.400 1.00 0.00 O ATOM 0 H SER A 38 -7.648 -9.993 -5.875 1.00 0.00 H new ATOM 0 HA SER A 38 -9.835 -8.221 -6.081 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.159 -10.311 -5.758 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.994 -10.369 -7.067 1.00 0.00 H new ATOM 0 HG SER A 38 -8.671 -11.686 -5.882 1.00 0.00 H new ATOM 588 N LEU A 39 -9.281 -9.515 -3.089 1.00 0.00 N ATOM 589 CA LEU A 39 -9.556 -9.308 -1.688 1.00 0.00 C ATOM 590 C LEU A 39 -9.026 -7.950 -1.217 1.00 0.00 C ATOM 591 O LEU A 39 -9.773 -7.183 -0.595 1.00 0.00 O ATOM 592 CB LEU A 39 -9.039 -10.482 -0.810 1.00 0.00 C ATOM 593 CG LEU A 39 -9.231 -10.333 0.706 1.00 0.00 C ATOM 594 CD1 LEU A 39 -10.709 -10.251 1.064 1.00 0.00 C ATOM 595 CD2 LEU A 39 -8.563 -11.483 1.441 1.00 0.00 C ATOM 0 H LEU A 39 -8.655 -10.295 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.639 -9.293 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.540 -11.395 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.976 -10.616 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.759 -9.402 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.817 -10.146 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.156 -9.389 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.214 -11.160 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.708 -11.362 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.004 -12.426 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.496 -11.487 1.218 1.00 0.00 H new ATOM 607 N TRP A 40 -7.785 -7.612 -1.601 1.00 0.00 N ATOM 608 CA TRP A 40 -7.159 -6.378 -1.189 1.00 0.00 C ATOM 609 C TRP A 40 -7.908 -5.173 -1.715 1.00 0.00 C ATOM 610 O TRP A 40 -8.668 -4.575 -0.978 1.00 0.00 O ATOM 611 CB TRP A 40 -5.655 -6.298 -1.578 1.00 0.00 C ATOM 612 CG TRP A 40 -4.715 -7.210 -0.790 1.00 0.00 C ATOM 613 CD1 TRP A 40 -5.035 -8.088 0.210 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.283 -7.292 -0.944 1.00 0.00 C ATOM 615 NE1 TRP A 40 -3.891 -8.683 0.701 1.00 0.00 N ATOM 616 CE2 TRP A 40 -2.803 -8.204 0.013 1.00 0.00 C ATOM 617 CE3 TRP A 40 -2.358 -6.661 -1.788 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -1.430 -8.496 0.149 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.007 -6.954 -1.642 1.00 0.00 C ATOM 620 CH2 TRP A 40 -0.558 -7.859 -0.679 1.00 0.00 C ATOM 0 H TRP A 40 -7.202 -8.194 -2.203 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.206 -6.369 -0.100 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.560 -6.537 -2.637 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.321 -5.268 -1.453 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.036 -8.286 0.563 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.858 -9.369 1.455 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.690 -5.959 -2.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.082 -9.203 0.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.289 -6.471 -2.288 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.500 -8.057 -0.589 1.00 0.00 H new ATOM 631 N GLN A 41 -7.794 -4.864 -3.013 1.00 0.00 N ATOM 632 CA GLN A 41 -8.366 -3.624 -3.489 1.00 0.00 C ATOM 633 C GLN A 41 -9.895 -3.654 -3.508 1.00 0.00 C ATOM 634 O GLN A 41 -10.541 -2.584 -3.466 1.00 0.00 O ATOM 635 CB GLN A 41 -7.685 -3.051 -4.788 1.00 0.00 C ATOM 636 CG GLN A 41 -8.073 -3.632 -6.147 1.00 0.00 C ATOM 637 CD GLN A 41 -9.248 -2.875 -6.762 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.398 -3.222 -6.553 1.00 0.00 O ATOM 639 NE2 GLN A 41 -8.963 -1.815 -7.507 1.00 0.00 N ATOM 0 H GLN A 41 -7.329 -5.436 -3.718 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.114 -2.871 -2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.885 -1.980 -4.819 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.608 -3.171 -4.675 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.217 -3.588 -6.821 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.335 -4.684 -6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.991 -1.549 -7.664 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.716 -1.266 -7.922 1.00 0.00 H new ATOM 648 N GLY A 42 -10.474 -4.866 -3.501 1.00 0.00 N ATOM 649 CA GLY A 42 -11.899 -4.991 -3.379 1.00 0.00 C ATOM 650 C GLY A 42 -12.360 -4.451 -2.042 1.00 0.00 C ATOM 651 O GLY A 42 -13.234 -3.567 -1.991 1.00 0.00 O ATOM 0 H GLY A 42 -9.969 -5.749 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.389 -4.448 -4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.189 -6.037 -3.476 1.00 0.00 H new ATOM 655 N SER A 43 -11.733 -4.918 -0.953 1.00 0.00 N ATOM 656 CA SER A 43 -12.084 -4.418 0.365 1.00 0.00 C ATOM 657 C SER A 43 -11.644 -2.954 0.513 1.00 0.00 C ATOM 658 O SER A 43 -12.313 -2.154 1.187 1.00 0.00 O ATOM 659 CB SER A 43 -11.510 -5.310 1.483 1.00 0.00 C ATOM 660 OG SER A 43 -10.100 -5.452 1.381 1.00 0.00 O ATOM 0 H SER A 43 -10.998 -5.625 -0.965 1.00 0.00 H new ATOM 0 HA SER A 43 -13.169 -4.454 0.468 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.762 -4.882 2.453 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.977 -6.294 1.438 1.00 0.00 H new ATOM 0 HG SER A 43 -9.888 -6.287 0.913 1.00 0.00 H new ATOM 666 N LEU A 44 -10.546 -2.593 -0.179 1.00 0.00 N ATOM 667 CA LEU A 44 -10.043 -1.225 -0.176 1.00 0.00 C ATOM 668 C LEU A 44 -11.096 -0.245 -0.690 1.00 0.00 C ATOM 669 O LEU A 44 -11.229 0.868 -0.163 1.00 0.00 O ATOM 670 CB LEU A 44 -8.704 -1.058 -0.955 1.00 0.00 C ATOM 671 CG LEU A 44 -7.547 -1.978 -0.584 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.216 -1.582 -1.323 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.407 -2.030 0.932 1.00 0.00 C ATOM 0 H LEU A 44 -9.996 -3.239 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.826 -0.989 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.914 -1.195 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.368 -0.029 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.767 -2.988 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.419 -2.265 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.366 -1.643 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.939 -0.563 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.580 -2.688 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.212 -1.028 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.329 -2.412 1.370 1.00 0.00 H new ATOM 685 N PHE A 45 -11.876 -0.661 -1.690 1.00 0.00 N ATOM 686 CA PHE A 45 -12.928 0.199 -2.201 1.00 0.00 C ATOM 687 C PHE A 45 -14.193 0.025 -1.364 1.00 0.00 C ATOM 688 O PHE A 45 -14.934 0.980 -1.131 1.00 0.00 O ATOM 689 CB PHE A 45 -13.208 -0.107 -3.683 1.00 0.00 C ATOM 690 CG PHE A 45 -14.177 0.825 -4.362 1.00 0.00 C ATOM 691 CD1 PHE A 45 -13.733 2.017 -4.910 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.522 0.506 -4.465 1.00 0.00 C ATOM 693 CE1 PHE A 45 -14.609 2.872 -5.545 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.402 1.357 -5.098 1.00 0.00 C ATOM 695 CZ PHE A 45 -15.945 2.542 -5.640 1.00 0.00 C ATOM 0 H PHE A 45 -11.797 -1.569 -2.149 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.601 1.236 -2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.264 -0.081 -4.227 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.593 -1.124 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -12.688 2.280 -4.839 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.885 -0.420 -4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.250 3.799 -5.967 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.448 1.097 -5.170 1.00 0.00 H new ATOM 0 HZ PHE A 45 -16.633 3.210 -6.138 1.00 0.00 H new ATOM 705 N ASN A 46 -14.405 -1.184 -0.856 1.00 0.00 N ATOM 706 CA ASN A 46 -15.616 -1.507 -0.108 1.00 0.00 C ATOM 707 C ASN A 46 -15.721 -0.731 1.208 1.00 0.00 C ATOM 708 O ASN A 46 -16.803 -0.272 1.576 1.00 0.00 O ATOM 709 CB ASN A 46 -15.771 -3.036 0.093 1.00 0.00 C ATOM 710 CG ASN A 46 -16.958 -3.398 0.965 1.00 0.00 C ATOM 711 OD1 ASN A 46 -18.081 -3.527 0.480 1.00 0.00 O ATOM 712 ND2 ASN A 46 -16.714 -3.602 2.232 1.00 0.00 N ATOM 0 H ASN A 46 -13.750 -1.961 -0.949 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.459 -1.177 -0.716 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.881 -3.516 -0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.861 -3.433 0.543 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -17.470 -3.879 2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.768 -3.484 2.595 1.00 0.00 H new ATOM 719 N ALA A 47 -14.598 -0.526 1.885 1.00 0.00 N ATOM 720 CA ALA A 47 -14.599 0.221 3.143 1.00 0.00 C ATOM 721 C ALA A 47 -14.450 1.723 2.879 1.00 0.00 C ATOM 722 O ALA A 47 -14.381 2.536 3.816 1.00 0.00 O ATOM 723 CB ALA A 47 -13.502 -0.280 4.057 1.00 0.00 C ATOM 0 H ALA A 47 -13.681 -0.862 1.590 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.555 0.060 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.517 0.287 4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.662 -1.336 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.535 -0.151 3.570 1.00 0.00 H new ATOM 729 N ASN A 48 -14.393 2.063 1.590 1.00 0.00 N ATOM 730 CA ASN A 48 -14.341 3.438 1.086 1.00 0.00 C ATOM 731 C ASN A 48 -13.113 4.210 1.625 1.00 0.00 C ATOM 732 O ASN A 48 -13.254 5.297 2.191 1.00 0.00 O ATOM 733 CB ASN A 48 -15.654 4.199 1.449 1.00 0.00 C ATOM 734 CG ASN A 48 -15.797 5.539 0.717 1.00 0.00 C ATOM 735 OD1 ASN A 48 -15.314 5.707 -0.400 1.00 0.00 O ATOM 736 ND2 ASN A 48 -16.428 6.501 1.339 1.00 0.00 N ATOM 0 H ASN A 48 -14.381 1.367 0.844 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.243 3.381 0.002 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.510 3.568 1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.679 4.375 2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.528 7.415 0.897 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.821 6.337 2.266 1.00 0.00 H new ATOM 743 N TYR A 49 -11.901 3.654 1.495 1.00 0.00 N ATOM 744 CA TYR A 49 -10.722 4.418 1.916 1.00 0.00 C ATOM 745 C TYR A 49 -10.195 5.397 0.825 1.00 0.00 C ATOM 746 O TYR A 49 -9.000 5.580 0.748 1.00 0.00 O ATOM 747 CB TYR A 49 -9.590 3.482 2.340 1.00 0.00 C ATOM 748 CG TYR A 49 -9.661 2.953 3.730 1.00 0.00 C ATOM 749 CD1 TYR A 49 -9.637 3.791 4.833 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.719 1.610 3.932 1.00 0.00 C ATOM 751 CE1 TYR A 49 -9.679 3.274 6.108 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.759 1.064 5.183 1.00 0.00 C ATOM 753 CZ TYR A 49 -9.741 1.904 6.286 1.00 0.00 C ATOM 754 OH TYR A 49 -9.799 1.379 7.567 1.00 0.00 O ATOM 0 H TYR A 49 -11.715 2.724 1.120 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.050 5.020 2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.569 2.637 1.652 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.645 4.012 2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.585 4.860 4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.734 0.953 3.075 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.664 3.933 6.963 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.804 -0.007 5.312 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.839 0.401 7.518 1.00 0.00 H new ATOM 764 N ASP A 50 -11.112 6.046 0.036 1.00 0.00 N ATOM 765 CA ASP A 50 -10.807 7.046 -1.059 1.00 0.00 C ATOM 766 C ASP A 50 -9.426 6.859 -1.714 1.00 0.00 C ATOM 767 O ASP A 50 -8.482 7.609 -1.446 1.00 0.00 O ATOM 768 CB ASP A 50 -11.008 8.492 -0.562 1.00 0.00 C ATOM 769 CG ASP A 50 -10.834 9.537 -1.646 1.00 0.00 C ATOM 770 OD1 ASP A 50 -11.746 9.710 -2.483 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.799 10.247 -1.667 1.00 0.00 O ATOM 0 H ASP A 50 -12.114 5.887 0.143 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.529 6.847 -1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.007 8.585 -0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.299 8.693 0.241 1.00 0.00 H new ATOM 776 N VAL A 51 -9.293 5.804 -2.480 1.00 0.00 N ATOM 777 CA VAL A 51 -8.012 5.427 -3.080 1.00 0.00 C ATOM 778 C VAL A 51 -8.184 4.755 -4.441 1.00 0.00 C ATOM 779 O VAL A 51 -9.282 4.368 -4.821 1.00 0.00 O ATOM 780 CB VAL A 51 -7.230 4.452 -2.155 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.459 5.168 -1.068 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.192 3.516 -1.511 1.00 0.00 C ATOM 0 H VAL A 51 -10.062 5.175 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.456 6.355 -3.211 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.511 3.922 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.933 4.437 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.737 5.848 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.150 5.735 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.651 2.829 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.912 4.083 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.718 2.950 -2.279 1.00 0.00 H new ATOM 792 N GLN A 52 -7.085 4.581 -5.135 1.00 0.00 N ATOM 793 CA GLN A 52 -7.029 3.866 -6.408 1.00 0.00 C ATOM 794 C GLN A 52 -6.045 2.753 -6.197 1.00 0.00 C ATOM 795 O GLN A 52 -4.988 2.973 -5.699 1.00 0.00 O ATOM 796 CB GLN A 52 -6.613 4.878 -7.507 1.00 0.00 C ATOM 797 CG GLN A 52 -6.288 4.343 -8.902 1.00 0.00 C ATOM 798 CD GLN A 52 -4.857 3.854 -9.039 1.00 0.00 C ATOM 799 OE1 GLN A 52 -4.552 2.685 -8.850 1.00 0.00 O ATOM 800 NE2 GLN A 52 -3.973 4.763 -9.355 1.00 0.00 N ATOM 0 H GLN A 52 -6.179 4.937 -4.832 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.977 3.438 -6.733 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.418 5.606 -7.610 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.738 5.419 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.968 3.525 -9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.468 5.128 -9.636 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.266 5.729 -9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.990 4.507 -9.452 1.00 0.00 H new ATOM 809 N ARG A 53 -6.421 1.551 -6.467 1.00 0.00 N ATOM 810 CA ARG A 53 -5.545 0.449 -6.137 1.00 0.00 C ATOM 811 C ARG A 53 -5.477 -0.460 -7.321 1.00 0.00 C ATOM 812 O ARG A 53 -6.498 -0.759 -7.928 1.00 0.00 O ATOM 813 CB ARG A 53 -5.989 -0.293 -4.851 1.00 0.00 C ATOM 814 CG ARG A 53 -6.267 0.578 -3.625 1.00 0.00 C ATOM 815 CD ARG A 53 -7.568 1.234 -3.742 1.00 0.00 C ATOM 816 NE ARG A 53 -8.660 0.291 -4.011 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.674 0.539 -4.853 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.896 1.763 -5.298 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.501 -0.417 -5.173 1.00 0.00 N ATOM 0 H ARG A 53 -7.306 1.295 -6.905 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.549 0.831 -5.913 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.891 -0.861 -5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.216 -1.015 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.243 -0.035 -2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.484 1.329 -3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.781 1.775 -2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.526 1.972 -4.543 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.647 -0.607 -3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.293 2.531 -5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.670 1.940 -5.938 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.376 -1.351 -4.783 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.273 -0.231 -5.813 1.00 0.00 H new ATOM 833 N PHE A 54 -4.309 -0.899 -7.654 1.00 0.00 N ATOM 834 CA PHE A 54 -4.121 -1.496 -8.972 1.00 0.00 C ATOM 835 C PHE A 54 -3.308 -2.787 -8.937 1.00 0.00 C ATOM 836 O PHE A 54 -2.481 -2.998 -8.019 1.00 0.00 O ATOM 837 CB PHE A 54 -3.471 -0.431 -9.894 1.00 0.00 C ATOM 838 CG PHE A 54 -3.459 -0.728 -11.370 1.00 0.00 C ATOM 839 CD1 PHE A 54 -4.612 -0.590 -12.121 1.00 0.00 C ATOM 840 CD2 PHE A 54 -2.297 -1.116 -12.007 1.00 0.00 C ATOM 841 CE1 PHE A 54 -4.605 -0.840 -13.477 1.00 0.00 C ATOM 842 CE2 PHE A 54 -2.282 -1.366 -13.365 1.00 0.00 C ATOM 843 CZ PHE A 54 -3.438 -1.228 -14.101 1.00 0.00 C ATOM 0 H PHE A 54 -3.478 -0.867 -7.063 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.094 -1.791 -9.365 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.992 0.514 -9.742 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.441 -0.283 -9.569 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.529 -0.283 -11.640 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.387 -1.225 -11.435 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.514 -0.732 -14.051 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.365 -1.669 -13.849 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.431 -1.423 -15.163 1.00 0.00 H new ATOM 853 N ILE A 55 -3.583 -3.656 -9.908 1.00 0.00 N ATOM 854 CA ILE A 55 -2.811 -4.863 -10.151 1.00 0.00 C ATOM 855 C ILE A 55 -1.652 -4.488 -11.077 1.00 0.00 C ATOM 856 O ILE A 55 -1.831 -4.371 -12.289 1.00 0.00 O ATOM 857 CB ILE A 55 -3.637 -5.970 -10.884 1.00 0.00 C ATOM 858 CG1 ILE A 55 -4.963 -6.267 -10.167 1.00 0.00 C ATOM 859 CG2 ILE A 55 -2.804 -7.243 -11.008 1.00 0.00 C ATOM 860 CD1 ILE A 55 -5.813 -7.335 -10.848 1.00 0.00 C ATOM 0 H ILE A 55 -4.362 -3.535 -10.556 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.489 -5.254 -9.186 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.883 -5.598 -11.879 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.749 -6.584 -9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.542 -5.346 -10.099 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.386 -8.010 -11.520 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.900 -7.032 -11.579 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.531 -7.597 -10.014 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.731 -7.486 -10.280 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.061 -7.013 -11.859 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.255 -8.271 -10.892 1.00 0.00 H new ATOM 872 N VAL A 56 -0.513 -4.242 -10.510 1.00 0.00 N ATOM 873 CA VAL A 56 0.645 -3.842 -11.254 1.00 0.00 C ATOM 874 C VAL A 56 1.467 -5.017 -11.714 1.00 0.00 C ATOM 875 O VAL A 56 2.080 -4.954 -12.782 1.00 0.00 O ATOM 876 CB VAL A 56 1.531 -2.838 -10.478 1.00 0.00 C ATOM 877 CG1 VAL A 56 0.845 -1.495 -10.404 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.824 -3.349 -9.070 1.00 0.00 C ATOM 0 H VAL A 56 -0.357 -4.314 -9.505 1.00 0.00 H new ATOM 0 HA VAL A 56 0.261 -3.334 -12.139 1.00 0.00 H new ATOM 0 HB VAL A 56 2.476 -2.732 -11.010 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.475 -0.794 -9.856 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.674 -1.118 -11.412 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.110 -1.602 -9.890 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.448 -2.627 -8.543 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.887 -3.482 -8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.346 -4.304 -9.131 1.00 0.00 H new ATOM 888 N GLY A 57 1.498 -6.095 -10.947 1.00 0.00 N ATOM 889 CA GLY A 57 2.293 -7.201 -11.395 1.00 0.00 C ATOM 890 C GLY A 57 1.992 -8.495 -10.723 1.00 0.00 C ATOM 891 O GLY A 57 1.298 -8.540 -9.714 1.00 0.00 O ATOM 0 H GLY A 57 1.008 -6.217 -10.061 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.150 -7.323 -12.469 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.345 -6.962 -11.239 1.00 0.00 H new ATOM 895 N SER A 58 2.523 -9.542 -11.292 1.00 0.00 N ATOM 896 CA SER A 58 2.422 -10.870 -10.772 1.00 0.00 C ATOM 897 C SER A 58 3.291 -10.932 -9.508 1.00 0.00 C ATOM 898 O SER A 58 4.516 -10.919 -9.640 1.00 0.00 O ATOM 899 CB SER A 58 3.005 -11.794 -11.840 1.00 0.00 C ATOM 900 OG SER A 58 2.516 -11.442 -13.143 1.00 0.00 O ATOM 0 H SER A 58 3.055 -9.488 -12.160 1.00 0.00 H new ATOM 0 HA SER A 58 1.398 -11.155 -10.531 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.093 -11.732 -11.826 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.742 -12.828 -11.615 1.00 0.00 H new ATOM 0 HG SER A 58 1.560 -11.649 -13.201 1.00 0.00 H new ATOM 906 N ASP A 59 2.630 -10.915 -8.320 1.00 0.00 N ATOM 907 CA ASP A 59 3.187 -10.917 -6.977 1.00 0.00 C ATOM 908 C ASP A 59 3.366 -9.479 -6.479 1.00 0.00 C ATOM 909 O ASP A 59 4.053 -9.231 -5.512 1.00 0.00 O ATOM 910 CB ASP A 59 4.457 -11.846 -6.795 1.00 0.00 C ATOM 911 CG ASP A 59 5.861 -11.199 -6.911 1.00 0.00 C ATOM 912 OD1 ASP A 59 6.070 -10.197 -7.629 1.00 0.00 O ATOM 913 OD2 ASP A 59 6.813 -11.756 -6.327 1.00 0.00 O ATOM 0 H ASP A 59 1.610 -10.898 -8.296 1.00 0.00 H new ATOM 0 HA ASP A 59 2.461 -11.396 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.387 -12.317 -5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.395 -12.643 -7.536 1.00 0.00 H new ATOM 918 N ARG A 60 2.653 -8.518 -7.131 1.00 0.00 N ATOM 919 CA ARG A 60 2.737 -7.082 -6.781 1.00 0.00 C ATOM 920 C ARG A 60 1.412 -6.319 -6.965 1.00 0.00 C ATOM 921 O ARG A 60 0.786 -6.349 -8.044 1.00 0.00 O ATOM 922 CB ARG A 60 3.871 -6.430 -7.548 1.00 0.00 C ATOM 923 CG ARG A 60 5.208 -6.762 -6.943 1.00 0.00 C ATOM 924 CD ARG A 60 6.300 -6.766 -7.944 1.00 0.00 C ATOM 925 NE ARG A 60 6.109 -7.866 -8.895 1.00 0.00 N ATOM 926 CZ ARG A 60 6.112 -7.775 -10.224 1.00 0.00 C ATOM 927 NH1 ARG A 60 6.445 -6.633 -10.824 1.00 0.00 N ATOM 928 NH2 ARG A 60 5.797 -8.840 -10.947 1.00 0.00 N ATOM 0 H ARG A 60 2.015 -8.718 -7.901 1.00 0.00 H new ATOM 0 HA ARG A 60 2.947 -7.027 -5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.848 -6.762 -8.586 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.732 -5.349 -7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.439 -6.038 -6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.154 -7.740 -6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.320 -5.815 -8.476 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.262 -6.871 -7.443 1.00 0.00 H new ATOM 0 HE ARG A 60 5.959 -8.794 -8.499 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.701 -5.819 -10.265 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.444 -6.573 -11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.556 -9.717 -10.485 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.796 -8.783 -11.965 1.00 0.00 H new ATOM 942 N ALA A 61 1.052 -5.553 -5.940 1.00 0.00 N ATOM 943 CA ALA A 61 -0.249 -4.858 -5.862 1.00 0.00 C ATOM 944 C ALA A 61 -0.024 -3.425 -5.433 1.00 0.00 C ATOM 945 O ALA A 61 1.092 -3.103 -4.990 1.00 0.00 O ATOM 946 CB ALA A 61 -1.126 -5.556 -4.842 1.00 0.00 C ATOM 0 H ALA A 61 1.651 -5.390 -5.131 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.735 -4.876 -6.837 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.088 -5.047 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.282 -6.592 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.640 -5.532 -3.867 1.00 0.00 H new ATOM 952 N ILE A 62 -1.024 -2.524 -5.580 1.00 0.00 N ATOM 953 CA ILE A 62 -0.821 -1.185 -5.070 1.00 0.00 C ATOM 954 C ILE A 62 -2.046 -0.677 -4.454 1.00 0.00 C ATOM 955 O ILE A 62 -3.172 -1.115 -4.813 1.00 0.00 O ATOM 956 CB ILE A 62 -0.485 -0.075 -6.119 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.763 0.433 -6.806 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.537 -0.514 -7.110 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.565 1.631 -7.695 1.00 0.00 C ATOM 0 H ILE A 62 -1.925 -2.702 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 62 0.027 -1.332 -4.401 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.040 0.758 -5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.187 -0.377 -7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.496 0.684 -6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.732 0.295 -7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.459 -0.774 -6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.168 -1.385 -7.651 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.519 1.918 -8.136 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.173 2.460 -7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.859 1.383 -8.487 1.00 0.00 H new ATOM 971 N PHE A 63 -1.828 0.296 -3.613 1.00 0.00 N ATOM 972 CA PHE A 63 -2.853 1.175 -3.163 1.00 0.00 C ATOM 973 C PHE A 63 -2.327 2.590 -3.246 1.00 0.00 C ATOM 974 O PHE A 63 -1.382 2.997 -2.555 1.00 0.00 O ATOM 975 CB PHE A 63 -3.523 0.821 -1.805 1.00 0.00 C ATOM 976 CG PHE A 63 -2.646 0.769 -0.637 1.00 0.00 C ATOM 977 CD1 PHE A 63 -1.608 -0.111 -0.617 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.856 1.588 0.471 1.00 0.00 C ATOM 979 CE1 PHE A 63 -0.800 -0.190 0.437 1.00 0.00 C ATOM 980 CE2 PHE A 63 -2.031 1.498 1.521 1.00 0.00 C ATOM 981 CZ PHE A 63 -1.001 0.612 1.513 1.00 0.00 C ATOM 0 H PHE A 63 -0.910 0.498 -3.217 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.704 1.054 -3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.307 1.553 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.011 -0.148 -1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.438 -0.754 -1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.677 2.289 0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.018 -0.895 0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.185 2.134 2.380 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.341 0.546 2.365 1.00 0.00 H new ATOM 991 N MET A 64 -2.838 3.257 -4.207 1.00 0.00 N ATOM 992 CA MET A 64 -2.518 4.642 -4.492 1.00 0.00 C ATOM 993 C MET A 64 -3.386 5.508 -3.599 1.00 0.00 C ATOM 994 O MET A 64 -4.617 5.500 -3.739 1.00 0.00 O ATOM 995 CB MET A 64 -2.782 4.891 -6.008 1.00 0.00 C ATOM 996 CG MET A 64 -2.593 6.297 -6.549 1.00 0.00 C ATOM 997 SD MET A 64 -3.873 7.477 -6.065 1.00 0.00 S ATOM 998 CE MET A 64 -3.257 8.936 -6.873 1.00 0.00 C ATOM 0 H MET A 64 -3.519 2.859 -4.854 1.00 0.00 H new ATOM 0 HA MET A 64 -1.475 4.885 -4.289 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.128 4.226 -6.573 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.807 4.587 -6.222 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.627 6.673 -6.213 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.556 6.250 -7.637 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.539 9.817 -6.297 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.171 8.881 -6.945 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.683 9.005 -7.874 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.771 6.208 -2.654 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.536 7.002 -1.734 1.00 0.00 C ATOM 1010 C LEU A 65 -3.415 8.453 -1.918 1.00 0.00 C ATOM 1011 O LEU A 65 -2.366 9.014 -2.292 1.00 0.00 O ATOM 1012 CB LEU A 65 -3.464 6.661 -0.251 1.00 0.00 C ATOM 1013 CG LEU A 65 -2.286 7.112 0.545 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -2.609 6.840 1.949 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -1.040 6.382 0.143 1.00 0.00 C ATOM 0 H LEU A 65 -1.761 6.235 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.531 6.684 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.356 7.071 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.525 5.576 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.092 8.171 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.777 7.152 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.505 7.393 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.785 5.772 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.202 6.736 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.177 5.313 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.835 6.566 -0.912 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.486 9.022 -1.609 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.738 10.442 -1.782 1.00 0.00 C ATOM 1029 C ARG A 66 -4.585 11.236 -0.464 1.00 0.00 C ATOM 1030 O ARG A 66 -3.869 12.238 -0.454 1.00 0.00 O ATOM 1031 CB ARG A 66 -6.048 10.690 -2.563 1.00 0.00 C ATOM 1032 CG ARG A 66 -6.490 12.130 -2.651 1.00 0.00 C ATOM 1033 CD ARG A 66 -7.827 12.230 -3.346 1.00 0.00 C ATOM 1034 NE ARG A 66 -7.789 11.744 -4.738 1.00 0.00 N ATOM 1035 CZ ARG A 66 -8.693 10.896 -5.266 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -9.555 10.277 -4.474 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -8.692 10.622 -6.575 1.00 0.00 N ATOM 0 H ARG A 66 -5.277 8.521 -1.205 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.954 10.856 -2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.926 10.303 -3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.845 10.112 -2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.560 12.557 -1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.746 12.713 -3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.565 11.656 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.158 13.269 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.031 12.070 -5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.533 10.443 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.241 9.634 -4.870 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.001 11.057 -7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.382 9.978 -6.962 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.280 10.826 0.628 1.00 0.00 N ATOM 1052 CA ASP A 67 -4.979 11.306 1.998 1.00 0.00 C ATOM 1053 C ASP A 67 -3.446 11.450 2.323 1.00 0.00 C ATOM 1054 O ASP A 67 -3.082 12.255 3.163 1.00 0.00 O ATOM 1055 CB ASP A 67 -5.639 10.361 3.044 1.00 0.00 C ATOM 1056 CG ASP A 67 -5.200 10.631 4.461 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -5.674 11.611 5.074 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -4.351 9.879 4.977 1.00 0.00 O ATOM 0 H ASP A 67 -6.054 10.163 0.584 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.395 12.312 2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.722 10.464 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.402 9.328 2.789 1.00 0.00 H new ATOM 1063 N GLY A 68 -2.565 10.703 1.630 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.161 10.670 1.902 1.00 0.00 C ATOM 1065 C GLY A 68 -0.779 9.932 3.158 1.00 0.00 C ATOM 1066 O GLY A 68 0.204 9.241 3.164 1.00 0.00 O ATOM 0 H GLY A 68 -2.841 10.102 0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.652 10.207 1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.795 11.694 1.973 1.00 0.00 H new ATOM 1070 N SER A 69 -1.588 9.986 4.174 1.00 0.00 N ATOM 1071 CA SER A 69 -1.181 9.392 5.462 1.00 0.00 C ATOM 1072 C SER A 69 -1.663 7.933 5.833 1.00 0.00 C ATOM 1073 O SER A 69 -0.834 7.098 6.224 1.00 0.00 O ATOM 1074 CB SER A 69 -1.363 10.397 6.609 1.00 0.00 C ATOM 1075 OG SER A 69 -2.652 11.011 6.590 1.00 0.00 O ATOM 0 H SER A 69 -2.513 10.417 4.164 1.00 0.00 H new ATOM 0 HA SER A 69 -0.123 9.189 5.298 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.219 9.888 7.562 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.595 11.167 6.540 1.00 0.00 H new ATOM 0 HG SER A 69 -3.313 10.374 6.248 1.00 0.00 H new ATOM 1081 N TYR A 70 -2.955 7.611 5.707 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.507 6.328 6.190 1.00 0.00 C ATOM 1083 C TYR A 70 -3.017 5.008 5.492 1.00 0.00 C ATOM 1084 O TYR A 70 -3.511 3.929 5.799 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.051 6.390 6.288 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.854 6.786 5.033 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -5.357 6.654 3.743 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -7.156 7.225 5.169 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -6.127 6.965 2.627 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -7.923 7.546 4.081 1.00 0.00 C ATOM 1091 CZ TYR A 70 -7.413 7.418 2.818 1.00 0.00 C ATOM 1092 OH TYR A 70 -8.185 7.779 1.746 1.00 0.00 O ATOM 0 H TYR A 70 -3.647 8.222 5.272 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.069 6.232 7.184 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.402 5.410 6.610 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.305 7.095 7.080 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.346 6.301 3.603 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.580 7.317 6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.724 6.853 1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.933 7.901 4.220 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.244 7.029 1.118 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.002 5.079 4.661 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.551 3.905 3.902 1.00 0.00 C ATOM 1104 C ALA A 71 -0.590 3.022 4.682 1.00 0.00 C ATOM 1105 O ALA A 71 -0.455 1.841 4.399 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.894 4.324 2.613 1.00 0.00 C ATOM 0 H ALA A 71 -1.466 5.929 4.485 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.448 3.320 3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.568 3.439 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.607 4.883 2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.032 4.954 2.832 1.00 0.00 H new ATOM 1112 N TRP A 72 0.069 3.581 5.658 1.00 0.00 N ATOM 1113 CA TRP A 72 1.065 2.836 6.412 1.00 0.00 C ATOM 1114 C TRP A 72 0.401 1.713 7.255 1.00 0.00 C ATOM 1115 O TRP A 72 0.847 0.516 7.254 1.00 0.00 O ATOM 1116 CB TRP A 72 2.059 3.808 7.179 1.00 0.00 C ATOM 1117 CG TRP A 72 3.086 4.431 6.223 1.00 0.00 C ATOM 1118 CD1 TRP A 72 4.413 4.159 6.184 1.00 0.00 C ATOM 1119 CD2 TRP A 72 2.847 5.372 5.143 1.00 0.00 C ATOM 1120 NE1 TRP A 72 5.020 4.842 5.159 1.00 0.00 N ATOM 1121 CE2 TRP A 72 4.057 5.575 4.466 1.00 0.00 C ATOM 1122 CE3 TRP A 72 1.736 6.038 4.679 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 4.122 6.432 3.298 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 1.842 6.847 3.596 1.00 0.00 C ATOM 1125 CH2 TRP A 72 3.019 7.007 2.925 1.00 0.00 C ATOM 0 H TRP A 72 -0.058 4.548 5.958 1.00 0.00 H new ATOM 0 HA TRP A 72 1.720 2.295 5.729 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.491 4.598 7.669 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.578 3.255 7.962 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.924 3.495 6.866 1.00 0.00 H new ATOM 0 HE1 TRP A 72 6.016 4.817 4.940 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.784 5.917 5.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 5.047 6.585 2.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.968 7.381 3.254 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.034 7.637 2.048 1.00 0.00 H new ATOM 1136 N GLU A 73 -0.726 2.041 7.851 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.500 1.065 8.579 1.00 0.00 C ATOM 1138 C GLU A 73 -2.063 0.034 7.569 1.00 0.00 C ATOM 1139 O GLU A 73 -1.968 -1.242 7.767 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.626 1.780 9.317 1.00 0.00 C ATOM 1141 CG GLU A 73 -3.457 0.884 10.191 1.00 0.00 C ATOM 1142 CD GLU A 73 -4.549 1.628 10.898 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -5.634 1.815 10.315 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -4.339 2.042 12.051 1.00 0.00 O ATOM 0 H GLU A 73 -1.125 2.980 7.844 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.884 0.542 9.311 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.197 2.572 9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.276 2.261 8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.895 0.093 9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.814 0.401 10.927 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.587 0.579 6.452 1.00 0.00 N ATOM 1152 CA ILE A 74 -3.111 -0.237 5.388 1.00 0.00 C ATOM 1153 C ILE A 74 -2.069 -1.324 4.959 1.00 0.00 C ATOM 1154 O ILE A 74 -2.403 -2.561 4.980 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.622 0.569 4.113 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.862 1.427 4.330 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.978 -0.398 3.088 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -5.235 2.307 3.158 1.00 0.00 C ATOM 0 H ILE A 74 -2.649 1.583 6.283 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.998 -0.711 5.808 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.806 1.242 3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.704 0.773 4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.702 2.058 5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.332 0.126 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.103 -0.995 2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.766 -1.051 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.129 2.881 3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.414 2.990 2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.431 1.685 2.284 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.782 -0.887 4.701 1.00 0.00 N ATOM 1171 CA LYS A 75 0.251 -1.782 4.185 1.00 0.00 C ATOM 1172 C LYS A 75 0.546 -2.860 5.168 1.00 0.00 C ATOM 1173 O LYS A 75 0.704 -4.058 4.807 1.00 0.00 O ATOM 1174 CB LYS A 75 1.559 -1.063 3.761 1.00 0.00 C ATOM 1175 CG LYS A 75 2.402 -0.447 4.856 1.00 0.00 C ATOM 1176 CD LYS A 75 3.684 0.117 4.277 1.00 0.00 C ATOM 1177 CE LYS A 75 4.587 0.701 5.340 1.00 0.00 C ATOM 1178 NZ LYS A 75 4.931 -0.285 6.378 1.00 0.00 N ATOM 0 H LYS A 75 -0.469 0.072 4.850 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.160 -2.215 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.178 -1.780 3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.297 -0.275 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.841 0.344 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.635 -1.198 5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.217 -0.671 3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.441 0.888 3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.501 1.071 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.095 1.557 5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.725 0.072 6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.108 -0.443 6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.203 -1.182 5.928 1.00 0.00 H new ATOM 1192 N ASP A 76 0.574 -2.469 6.419 1.00 0.00 N ATOM 1193 CA ASP A 76 0.799 -3.422 7.472 1.00 0.00 C ATOM 1194 C ASP A 76 -0.293 -4.506 7.460 1.00 0.00 C ATOM 1195 O ASP A 76 0.026 -5.707 7.624 1.00 0.00 O ATOM 1196 CB ASP A 76 0.871 -2.727 8.833 1.00 0.00 C ATOM 1197 CG ASP A 76 1.207 -3.666 9.973 1.00 0.00 C ATOM 1198 OD1 ASP A 76 2.384 -4.023 10.132 1.00 0.00 O ATOM 1199 OD2 ASP A 76 0.296 -4.030 10.755 1.00 0.00 O ATOM 0 H ASP A 76 0.445 -1.506 6.729 1.00 0.00 H new ATOM 0 HA ASP A 76 1.760 -3.906 7.297 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.621 -1.937 8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.086 -2.247 9.038 1.00 0.00 H new ATOM 1204 N PHE A 77 -1.557 -4.121 7.093 1.00 0.00 N ATOM 1205 CA PHE A 77 -2.666 -5.080 7.215 1.00 0.00 C ATOM 1206 C PHE A 77 -2.459 -6.121 6.197 1.00 0.00 C ATOM 1207 O PHE A 77 -2.028 -7.246 6.470 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.089 -4.531 6.861 1.00 0.00 C ATOM 1209 CG PHE A 77 -4.633 -3.334 7.545 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -4.562 -3.191 8.901 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.268 -2.352 6.797 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -5.102 -2.092 9.517 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -5.814 -1.257 7.406 1.00 0.00 C ATOM 1214 CZ PHE A 77 -5.731 -1.125 8.767 1.00 0.00 C ATOM 0 H PHE A 77 -1.809 -3.201 6.731 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.651 -5.388 8.261 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.093 -4.318 5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.796 -5.344 7.027 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.076 -3.951 9.494 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.331 -2.454 5.724 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.034 -1.985 10.590 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.309 -0.499 6.817 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.160 -0.261 9.252 1.00 0.00 H new ATOM 1224 N LEU A 78 -2.639 -5.688 4.990 1.00 0.00 N ATOM 1225 CA LEU A 78 -2.751 -6.604 3.896 1.00 0.00 C ATOM 1226 C LEU A 78 -1.483 -7.392 3.663 1.00 0.00 C ATOM 1227 O LEU A 78 -1.541 -8.632 3.387 1.00 0.00 O ATOM 1228 CB LEU A 78 -3.179 -5.889 2.634 1.00 0.00 C ATOM 1229 CG LEU A 78 -2.123 -5.101 1.897 1.00 0.00 C ATOM 1230 CD1 LEU A 78 -2.614 -4.612 0.629 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -1.568 -4.006 2.655 1.00 0.00 C ATOM 0 H LEU A 78 -2.712 -4.703 4.735 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.523 -7.323 4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.588 -6.630 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.991 -5.209 2.890 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.314 -5.812 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.827 -4.050 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.913 -5.454 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.473 -3.963 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.818 -3.491 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.362 -3.308 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.105 -4.390 3.564 1.00 0.00 H new ATOM 1243 N VAL A 79 -0.327 -6.755 3.895 1.00 0.00 N ATOM 1244 CA VAL A 79 0.862 -7.402 3.534 1.00 0.00 C ATOM 1245 C VAL A 79 1.271 -8.349 4.639 1.00 0.00 C ATOM 1246 O VAL A 79 1.874 -9.374 4.393 1.00 0.00 O ATOM 1247 CB VAL A 79 1.977 -6.416 3.060 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.156 -7.157 2.562 1.00 0.00 C ATOM 1249 CG2 VAL A 79 1.447 -5.558 1.945 1.00 0.00 C ATOM 0 H VAL A 79 -0.227 -5.831 4.315 1.00 0.00 H new ATOM 0 HA VAL A 79 0.686 -8.007 2.645 1.00 0.00 H new ATOM 0 HB VAL A 79 2.272 -5.800 3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.920 -6.450 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.556 -7.782 3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.862 -7.785 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.225 -4.870 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.144 -6.191 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.587 -4.990 2.300 1.00 0.00 H new ATOM 1259 N SER A 80 0.840 -8.078 5.869 1.00 0.00 N ATOM 1260 CA SER A 80 1.067 -9.042 6.868 1.00 0.00 C ATOM 1261 C SER A 80 -0.195 -9.904 7.011 1.00 0.00 C ATOM 1262 O SER A 80 -0.288 -10.753 7.899 1.00 0.00 O ATOM 1263 CB SER A 80 1.458 -8.367 8.169 1.00 0.00 C ATOM 1264 OG SER A 80 2.590 -7.513 7.957 1.00 0.00 O ATOM 0 H SER A 80 0.355 -7.229 6.161 1.00 0.00 H new ATOM 0 HA SER A 80 1.897 -9.692 6.593 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.620 -7.785 8.553 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.695 -9.119 8.922 1.00 0.00 H new ATOM 0 HG SER A 80 2.835 -7.080 8.801 1.00 0.00 H new ATOM 1270 N GLN A 81 -1.174 -9.712 6.095 1.00 0.00 N ATOM 1271 CA GLN A 81 -2.399 -10.477 6.197 1.00 0.00 C ATOM 1272 C GLN A 81 -2.261 -11.723 5.402 1.00 0.00 C ATOM 1273 O GLN A 81 -2.475 -12.822 5.912 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.637 -9.686 5.731 1.00 0.00 C ATOM 1275 CG GLN A 81 -4.974 -10.398 5.970 1.00 0.00 C ATOM 1276 CD GLN A 81 -5.416 -10.466 7.446 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.609 -10.507 7.733 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -4.489 -10.449 8.382 1.00 0.00 N ATOM 0 H GLN A 81 -1.128 -9.057 5.314 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.556 -10.711 7.250 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.654 -8.726 6.246 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.538 -9.475 4.666 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.748 -9.889 5.397 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.904 -11.413 5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.503 -10.415 8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.757 -10.470 9.366 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.886 -11.571 4.165 1.00 0.00 N ATOM 1288 CA ASP A 82 -1.700 -12.744 3.338 1.00 0.00 C ATOM 1289 C ASP A 82 -0.202 -12.986 2.989 1.00 0.00 C ATOM 1290 O ASP A 82 0.505 -13.562 3.830 1.00 0.00 O ATOM 1291 CB ASP A 82 -2.766 -12.889 2.183 1.00 0.00 C ATOM 1292 CG ASP A 82 -2.660 -14.184 1.385 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -1.649 -14.427 0.716 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -3.605 -15.007 1.457 1.00 0.00 O ATOM 0 H ASP A 82 -1.705 -10.676 3.710 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.946 -13.621 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.764 -12.825 2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.660 -12.046 1.500 1.00 0.00 H new ATOM 1299 N ARG A 83 0.331 -12.536 1.842 1.00 0.00 N ATOM 1300 CA ARG A 83 1.757 -12.740 1.585 1.00 0.00 C ATOM 1301 C ARG A 83 2.522 -11.409 1.571 1.00 0.00 C ATOM 1302 O ARG A 83 1.954 -10.373 1.242 1.00 0.00 O ATOM 1303 CB ARG A 83 2.017 -13.552 0.311 1.00 0.00 C ATOM 1304 CG ARG A 83 1.431 -14.962 0.316 1.00 0.00 C ATOM 1305 CD ARG A 83 1.778 -15.693 1.604 1.00 0.00 C ATOM 1306 NE ARG A 83 1.441 -17.124 1.587 1.00 0.00 N ATOM 1307 CZ ARG A 83 0.219 -17.649 1.752 1.00 0.00 C ATOM 1308 NH1 ARG A 83 -0.877 -16.890 1.638 1.00 0.00 N ATOM 1309 NH2 ARG A 83 0.091 -18.956 1.953 1.00 0.00 N ATOM 0 H ARG A 83 -0.182 -12.049 1.108 1.00 0.00 H new ATOM 0 HA ARG A 83 2.140 -13.335 2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.607 -13.007 -0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.094 -13.622 0.156 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.348 -14.910 0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.813 -15.521 -0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.845 -15.584 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.255 -15.216 2.433 1.00 0.00 H new ATOM 0 HE ARG A 83 2.209 -17.778 1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.789 -15.897 1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.800 -17.305 1.766 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.919 -19.551 1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.835 -19.364 2.080 1.00 0.00 H new ATOM 1323 N CYS A 84 3.807 -11.457 1.902 1.00 0.00 N ATOM 1324 CA CYS A 84 4.620 -10.247 2.095 1.00 0.00 C ATOM 1325 C CYS A 84 6.037 -10.389 1.464 1.00 0.00 C ATOM 1326 O CYS A 84 6.466 -11.525 1.182 1.00 0.00 O ATOM 1327 CB CYS A 84 4.713 -10.038 3.621 1.00 0.00 C ATOM 1328 SG CYS A 84 5.289 -11.495 4.519 1.00 0.00 S ATOM 0 H CYS A 84 4.319 -12.328 2.045 1.00 0.00 H new ATOM 0 HA CYS A 84 4.162 -9.392 1.598 1.00 0.00 H new ATOM 0 HB2 CYS A 84 5.388 -9.206 3.825 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.732 -9.753 4.000 1.00 0.00 H new ATOM 0 HG CYS A 84 5.339 -11.229 5.791 1.00 0.00 H new ATOM 1334 N ALA A 85 6.745 -9.234 1.207 1.00 0.00 N ATOM 1335 CA ALA A 85 8.115 -9.208 0.720 1.00 0.00 C ATOM 1336 C ALA A 85 8.735 -7.791 0.735 1.00 0.00 C ATOM 1337 O ALA A 85 9.782 -7.587 1.350 1.00 0.00 O ATOM 1338 CB ALA A 85 8.293 -9.884 -0.655 1.00 0.00 C ATOM 0 H ALA A 85 6.349 -8.304 1.343 1.00 0.00 H new ATOM 0 HA ALA A 85 8.673 -9.811 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.339 -9.827 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.991 -10.929 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.675 -9.374 -1.394 1.00 0.00 H new ATOM 1344 N GLU A 86 8.082 -6.805 0.101 1.00 0.00 N ATOM 1345 CA GLU A 86 8.700 -5.502 -0.092 1.00 0.00 C ATOM 1346 C GLU A 86 7.649 -4.424 -0.263 1.00 0.00 C ATOM 1347 O GLU A 86 6.747 -4.589 -1.049 1.00 0.00 O ATOM 1348 CB GLU A 86 9.578 -5.558 -1.349 1.00 0.00 C ATOM 1349 CG GLU A 86 10.136 -4.226 -1.814 1.00 0.00 C ATOM 1350 CD GLU A 86 10.868 -4.358 -3.103 1.00 0.00 C ATOM 1351 OE1 GLU A 86 10.225 -4.610 -4.139 1.00 0.00 O ATOM 1352 OE2 GLU A 86 12.096 -4.248 -3.114 1.00 0.00 O ATOM 0 H GLU A 86 7.139 -6.891 -0.279 1.00 0.00 H new ATOM 0 HA GLU A 86 9.299 -5.260 0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.411 -6.235 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.993 -5.991 -2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.322 -3.510 -1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.807 -3.826 -1.053 1.00 0.00 H new ATOM 1359 N VAL A 87 7.759 -3.346 0.446 1.00 0.00 N ATOM 1360 CA VAL A 87 6.885 -2.226 0.199 1.00 0.00 C ATOM 1361 C VAL A 87 7.702 -1.011 -0.312 1.00 0.00 C ATOM 1362 O VAL A 87 8.588 -0.505 0.396 1.00 0.00 O ATOM 1363 CB VAL A 87 6.002 -1.832 1.458 1.00 0.00 C ATOM 1364 CG1 VAL A 87 4.935 -2.889 1.765 1.00 0.00 C ATOM 1365 CG2 VAL A 87 6.859 -1.596 2.701 1.00 0.00 C ATOM 0 H VAL A 87 8.437 -3.210 1.196 1.00 0.00 H new ATOM 0 HA VAL A 87 6.182 -2.537 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 87 5.501 -0.900 1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.354 -2.578 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.273 -2.998 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.418 -3.844 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.217 -1.329 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.410 -2.505 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.562 -0.785 2.510 1.00 0.00 H new ATOM 1375 N THR A 88 7.469 -0.580 -1.554 1.00 0.00 N ATOM 1376 CA THR A 88 8.090 0.639 -2.022 1.00 0.00 C ATOM 1377 C THR A 88 7.089 1.728 -2.247 1.00 0.00 C ATOM 1378 O THR A 88 6.078 1.589 -2.964 1.00 0.00 O ATOM 1379 CB THR A 88 9.076 0.524 -3.180 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.527 -0.200 -4.305 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.355 -0.108 -2.716 1.00 0.00 C ATOM 0 H THR A 88 6.869 -1.050 -2.231 1.00 0.00 H new ATOM 0 HA THR A 88 8.735 0.911 -1.186 1.00 0.00 H new ATOM 0 HB THR A 88 9.283 1.536 -3.527 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.194 -0.246 -5.021 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.048 -0.183 -3.554 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.799 0.504 -1.931 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.148 -1.104 -2.326 1.00 0.00 H new ATOM 1389 N LEU A 89 7.347 2.782 -1.595 1.00 0.00 N ATOM 1390 CA LEU A 89 6.468 3.854 -1.491 1.00 0.00 C ATOM 1391 C LEU A 89 7.031 5.065 -2.204 1.00 0.00 C ATOM 1392 O LEU A 89 8.214 5.144 -2.497 1.00 0.00 O ATOM 1393 CB LEU A 89 6.061 4.091 -0.007 1.00 0.00 C ATOM 1394 CG LEU A 89 5.141 3.005 0.662 1.00 0.00 C ATOM 1395 CD1 LEU A 89 5.757 1.636 0.684 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.865 3.313 2.061 1.00 0.00 C ATOM 0 H LEU A 89 8.224 2.925 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 89 5.533 3.626 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.972 4.175 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.551 5.052 0.055 1.00 0.00 H new ATOM 0 HG LEU A 89 4.240 3.016 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.070 0.935 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.958 1.311 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.690 1.666 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.226 2.538 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.802 3.355 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.360 4.276 2.129 1.00 0.00 H new