USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.697 K(o=0.7,f=-0.94) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 150:sc= -0.132 USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= 0.634 (180deg=0.213) USER MOD Single : A 79 TYR OH : rot 70:sc= 0.739 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 263 N ARG A 24 -7.237 -3.705 -3.776 1.00 0.00 N ATOM 264 CA ARG A 24 -5.827 -3.357 -3.746 1.00 0.00 C ATOM 265 C ARG A 24 -5.651 -1.893 -3.337 1.00 0.00 C ATOM 266 O ARG A 24 -6.361 -1.017 -3.829 1.00 0.00 O ATOM 267 CB ARG A 24 -5.175 -3.579 -5.112 1.00 0.00 C ATOM 268 CG ARG A 24 -5.783 -2.652 -6.167 1.00 0.00 C ATOM 269 CD ARG A 24 -6.117 -3.422 -7.446 1.00 0.00 C ATOM 270 NE ARG A 24 -6.371 -2.475 -8.555 1.00 0.00 N ATOM 271 CZ ARG A 24 -6.678 -2.847 -9.805 1.00 0.00 C ATOM 272 NH1 ARG A 24 -6.771 -4.147 -10.113 1.00 0.00 N ATOM 273 NH2 ARG A 24 -6.892 -1.918 -10.747 1.00 0.00 N ATOM 0 HA ARG A 24 -5.341 -4.004 -3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.102 -3.400 -5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.305 -4.617 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.686 -2.188 -5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.084 -1.847 -6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.293 -4.087 -7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.994 -4.049 -7.284 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.308 -1.477 -8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.608 -4.854 -9.396 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.005 -4.430 -11.065 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.821 -0.928 -10.512 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.126 -2.201 -11.699 1.00 0.00 H new ATOM 287 N ILE A 25 -4.700 -1.673 -2.440 1.00 0.00 N ATOM 288 CA ILE A 25 -4.422 -0.330 -1.960 1.00 0.00 C ATOM 289 C ILE A 25 -2.934 -0.024 -2.147 1.00 0.00 C ATOM 290 O ILE A 25 -2.114 -0.937 -2.223 1.00 0.00 O ATOM 291 CB ILE A 25 -4.906 -0.166 -0.518 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.390 -1.302 0.367 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.430 -0.043 -0.462 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.666 -1.016 1.844 1.00 0.00 C ATOM 0 H ILE A 25 -4.113 -2.402 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.975 0.405 -2.544 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.493 0.762 -0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.868 -2.238 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.319 -1.430 0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.748 0.073 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.746 0.827 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.883 -0.941 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.289 -1.839 2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.166 -0.092 2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.740 -0.912 2.000 1.00 0.00 H new ATOM 306 N TYR A 26 -2.632 1.264 -2.216 1.00 0.00 N ATOM 307 CA TYR A 26 -1.258 1.702 -2.393 1.00 0.00 C ATOM 308 C TYR A 26 -0.748 2.428 -1.147 1.00 0.00 C ATOM 309 O TYR A 26 -1.419 3.317 -0.624 1.00 0.00 O ATOM 310 CB TYR A 26 -1.275 2.682 -3.568 1.00 0.00 C ATOM 311 CG TYR A 26 0.047 3.422 -3.781 1.00 0.00 C ATOM 312 CD1 TYR A 26 0.280 4.618 -3.132 1.00 0.00 C ATOM 313 CD2 TYR A 26 1.006 2.894 -4.621 1.00 0.00 C ATOM 314 CE1 TYR A 26 1.524 5.315 -3.332 1.00 0.00 C ATOM 315 CE2 TYR A 26 2.250 3.591 -4.821 1.00 0.00 C ATOM 316 CZ TYR A 26 2.448 4.767 -4.167 1.00 0.00 C ATOM 317 OH TYR A 26 3.623 5.425 -4.355 1.00 0.00 O ATOM 0 H TYR A 26 -3.315 2.019 -2.153 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.604 0.848 -2.570 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.525 2.137 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.067 3.413 -3.406 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.471 5.031 -2.474 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.824 1.958 -5.128 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.719 6.251 -2.831 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.009 3.189 -5.476 1.00 0.00 H new ATOM 0 HH TYR A 26 4.187 4.917 -4.975 1.00 0.00 H new ATOM 327 N VAL A 27 0.433 2.022 -0.706 1.00 0.00 N ATOM 328 CA VAL A 27 1.040 2.623 0.470 1.00 0.00 C ATOM 329 C VAL A 27 2.339 3.324 0.066 1.00 0.00 C ATOM 330 O VAL A 27 3.219 2.710 -0.534 1.00 0.00 O ATOM 331 CB VAL A 27 1.245 1.562 1.553 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.751 2.194 2.851 1.00 0.00 C ATOM 333 CG2 VAL A 27 -0.040 0.768 1.793 1.00 0.00 C ATOM 0 H VAL A 27 0.986 1.284 -1.142 1.00 0.00 H new ATOM 0 HA VAL A 27 0.381 3.380 0.896 1.00 0.00 H new ATOM 0 HB VAL A 27 2.007 0.866 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.888 1.418 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.702 2.693 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.023 2.922 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.133 0.021 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.832 1.445 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.339 0.271 0.870 1.00 0.00 H new ATOM 343 N GLY A 28 2.416 4.601 0.412 1.00 0.00 N ATOM 344 CA GLY A 28 3.592 5.392 0.093 1.00 0.00 C ATOM 345 C GLY A 28 4.151 6.072 1.345 1.00 0.00 C ATOM 346 O GLY A 28 3.649 5.860 2.447 1.00 0.00 O ATOM 0 H GLY A 28 1.683 5.107 0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.356 4.753 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.337 6.146 -0.652 1.00 0.00 H new ATOM 350 N ASN A 29 5.183 6.876 1.132 1.00 0.00 N ATOM 351 CA ASN A 29 5.815 7.589 2.229 1.00 0.00 C ATOM 352 C ASN A 29 6.365 6.578 3.238 1.00 0.00 C ATOM 353 O ASN A 29 6.463 6.875 4.428 1.00 0.00 O ATOM 354 CB ASN A 29 4.811 8.484 2.956 1.00 0.00 C ATOM 355 CG ASN A 29 4.757 9.876 2.322 1.00 0.00 C ATOM 356 OD1 ASN A 29 5.193 10.094 1.203 1.00 0.00 O ATOM 357 ND2 ASN A 29 4.201 10.802 3.096 1.00 0.00 N ATOM 0 H ASN A 29 5.597 7.049 0.216 1.00 0.00 H new ATOM 0 HA ASN A 29 6.613 8.206 1.815 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.822 8.027 2.924 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.089 8.570 4.007 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.119 11.763 2.763 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.856 10.552 4.023 1.00 0.00 H new ATOM 364 N LEU A 30 6.708 5.406 2.726 1.00 0.00 N ATOM 365 CA LEU A 30 7.245 4.350 3.567 1.00 0.00 C ATOM 366 C LEU A 30 8.717 4.641 3.866 1.00 0.00 C ATOM 367 O LEU A 30 9.368 5.384 3.133 1.00 0.00 O ATOM 368 CB LEU A 30 7.006 2.981 2.928 1.00 0.00 C ATOM 369 CG LEU A 30 5.551 2.511 2.873 1.00 0.00 C ATOM 370 CD1 LEU A 30 5.296 1.660 1.628 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.162 1.778 4.158 1.00 0.00 C ATOM 0 H LEU A 30 6.625 5.164 1.739 1.00 0.00 H new ATOM 0 HA LEU A 30 6.724 4.324 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.398 3.003 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.586 2.239 3.477 1.00 0.00 H new ATOM 0 HG LEU A 30 4.911 3.390 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.254 1.339 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.507 2.249 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.945 0.785 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.123 1.455 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.805 0.908 4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.280 2.448 5.009 1.00 0.00 H new ATOM 383 N PRO A 31 9.213 4.023 4.971 1.00 0.00 N ATOM 384 CA PRO A 31 10.596 4.207 5.375 1.00 0.00 C ATOM 385 C PRO A 31 11.542 3.418 4.468 1.00 0.00 C ATOM 386 O PRO A 31 11.102 2.572 3.692 1.00 0.00 O ATOM 387 CB PRO A 31 10.647 3.753 6.825 1.00 0.00 C ATOM 388 CG PRO A 31 9.407 2.900 7.038 1.00 0.00 C ATOM 389 CD PRO A 31 8.472 3.135 5.863 1.00 0.00 C ATOM 0 HA PRO A 31 10.926 5.242 5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.553 3.181 7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.654 4.607 7.502 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.676 1.846 7.107 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.917 3.166 7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.216 2.199 5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.536 3.590 6.187 1.00 0.00 H new ATOM 397 N PRO A 32 12.859 3.732 4.600 1.00 0.00 N ATOM 398 CA PRO A 32 13.871 3.062 3.801 1.00 0.00 C ATOM 399 C PRO A 32 14.123 1.642 4.313 1.00 0.00 C ATOM 400 O PRO A 32 14.479 0.754 3.541 1.00 0.00 O ATOM 401 CB PRO A 32 15.099 3.953 3.894 1.00 0.00 C ATOM 402 CG PRO A 32 14.879 4.840 5.109 1.00 0.00 C ATOM 403 CD PRO A 32 13.417 4.729 5.509 1.00 0.00 C ATOM 0 HA PRO A 32 13.568 2.931 2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.006 3.358 4.004 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.217 4.551 2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.524 4.529 5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.134 5.874 4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.313 4.419 6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.905 5.686 5.409 1.00 0.00 H new ATOM 411 N ASP A 33 13.928 1.473 5.613 1.00 0.00 N ATOM 412 CA ASP A 33 14.129 0.177 6.237 1.00 0.00 C ATOM 413 C ASP A 33 12.769 -0.461 6.529 1.00 0.00 C ATOM 414 O ASP A 33 12.523 -0.927 7.640 1.00 0.00 O ATOM 415 CB ASP A 33 14.880 0.314 7.563 1.00 0.00 C ATOM 416 CG ASP A 33 16.318 0.823 7.442 1.00 0.00 C ATOM 417 OD1 ASP A 33 16.737 1.071 6.290 1.00 0.00 O ATOM 418 OD2 ASP A 33 16.965 0.953 8.503 1.00 0.00 O ATOM 0 H ASP A 33 13.633 2.212 6.251 1.00 0.00 H new ATOM 0 HA ASP A 33 14.713 -0.439 5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.324 0.992 8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.895 -0.657 8.057 1.00 0.00 H new ATOM 423 N ILE A 34 11.921 -0.460 5.511 1.00 0.00 N ATOM 424 CA ILE A 34 10.592 -1.033 5.644 1.00 0.00 C ATOM 425 C ILE A 34 10.594 -2.453 5.076 1.00 0.00 C ATOM 426 O ILE A 34 11.433 -2.791 4.242 1.00 0.00 O ATOM 427 CB ILE A 34 9.547 -0.116 5.004 1.00 0.00 C ATOM 428 CG1 ILE A 34 8.135 -0.498 5.451 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.683 -0.109 3.480 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.903 -0.124 6.917 1.00 0.00 C ATOM 0 H ILE A 34 12.128 -0.072 4.591 1.00 0.00 H new ATOM 0 HA ILE A 34 10.314 -1.110 6.695 1.00 0.00 H new ATOM 0 HB ILE A 34 9.730 0.902 5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.402 0.008 4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.985 -1.569 5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.929 0.550 3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.676 0.247 3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.542 -1.120 3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.892 -0.406 7.209 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.622 -0.650 7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.030 0.951 7.043 1.00 0.00 H new ATOM 442 N ARG A 35 9.645 -3.247 5.549 1.00 0.00 N ATOM 443 CA ARG A 35 9.526 -4.624 5.099 1.00 0.00 C ATOM 444 C ARG A 35 8.090 -4.918 4.662 1.00 0.00 C ATOM 445 O ARG A 35 7.149 -4.290 5.145 1.00 0.00 O ATOM 446 CB ARG A 35 9.926 -5.602 6.205 1.00 0.00 C ATOM 447 CG ARG A 35 11.434 -5.859 6.192 1.00 0.00 C ATOM 448 CD ARG A 35 11.775 -7.075 5.328 1.00 0.00 C ATOM 449 NE ARG A 35 12.255 -8.184 6.183 1.00 0.00 N ATOM 450 CZ ARG A 35 13.454 -8.206 6.781 1.00 0.00 C ATOM 451 NH1 ARG A 35 14.302 -7.181 6.622 1.00 0.00 N ATOM 452 NH2 ARG A 35 13.805 -9.255 7.539 1.00 0.00 N ATOM 0 H ARG A 35 8.951 -2.963 6.240 1.00 0.00 H new ATOM 0 HA ARG A 35 10.201 -4.755 4.253 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.630 -5.201 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.392 -6.543 6.073 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.953 -4.980 5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.788 -6.021 7.210 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.895 -7.391 4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.540 -6.810 4.598 1.00 0.00 H new ATOM 0 HE ARG A 35 11.635 -8.981 6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.035 -6.383 6.045 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.214 -7.199 7.078 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.160 -10.035 7.660 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.717 -9.272 7.994 1.00 0.00 H new ATOM 466 N THR A 36 7.966 -5.872 3.751 1.00 0.00 N ATOM 467 CA THR A 36 6.660 -6.257 3.244 1.00 0.00 C ATOM 468 C THR A 36 5.817 -6.879 4.358 1.00 0.00 C ATOM 469 O THR A 36 4.589 -6.889 4.281 1.00 0.00 O ATOM 470 CB THR A 36 6.873 -7.190 2.050 1.00 0.00 C ATOM 471 OG1 THR A 36 7.606 -6.400 1.118 1.00 0.00 O ATOM 472 CG2 THR A 36 5.568 -7.514 1.319 1.00 0.00 C ATOM 0 H THR A 36 8.749 -6.390 3.351 1.00 0.00 H new ATOM 0 HA THR A 36 6.098 -5.389 2.901 1.00 0.00 H new ATOM 0 HB THR A 36 7.337 -8.115 2.391 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.789 -6.929 0.313 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.776 -8.179 0.481 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.877 -8.002 2.007 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.120 -6.592 0.948 1.00 0.00 H new ATOM 480 N LYS A 37 6.509 -7.384 5.369 1.00 0.00 N ATOM 481 CA LYS A 37 5.839 -8.006 6.498 1.00 0.00 C ATOM 482 C LYS A 37 5.351 -6.920 7.459 1.00 0.00 C ATOM 483 O LYS A 37 4.171 -6.876 7.804 1.00 0.00 O ATOM 484 CB LYS A 37 6.750 -9.044 7.156 1.00 0.00 C ATOM 485 CG LYS A 37 5.967 -10.305 7.528 1.00 0.00 C ATOM 486 CD LYS A 37 6.368 -11.482 6.637 1.00 0.00 C ATOM 487 CE LYS A 37 7.685 -12.102 7.108 1.00 0.00 C ATOM 488 NZ LYS A 37 8.667 -12.133 6.001 1.00 0.00 N ATOM 0 H LYS A 37 7.527 -7.375 5.430 1.00 0.00 H new ATOM 0 HA LYS A 37 4.959 -8.554 6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.562 -9.303 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.206 -8.618 8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.150 -10.556 8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.898 -10.116 7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.582 -12.237 6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.469 -11.144 5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.087 -11.527 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.508 -13.113 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.555 -12.557 6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.288 -12.700 5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.849 -11.164 5.671 1.00 0.00 H new ATOM 502 N ASP A 38 6.283 -6.070 7.863 1.00 0.00 N ATOM 503 CA ASP A 38 5.963 -4.986 8.777 1.00 0.00 C ATOM 504 C ASP A 38 4.728 -4.242 8.265 1.00 0.00 C ATOM 505 O ASP A 38 3.869 -3.843 9.050 1.00 0.00 O ATOM 506 CB ASP A 38 7.115 -3.984 8.868 1.00 0.00 C ATOM 507 CG ASP A 38 8.375 -4.508 9.559 1.00 0.00 C ATOM 508 OD1 ASP A 38 8.384 -5.715 9.883 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.302 -3.690 9.747 1.00 0.00 O ATOM 0 H ASP A 38 7.260 -6.110 7.574 1.00 0.00 H new ATOM 0 HA ASP A 38 5.782 -5.417 9.762 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.378 -3.664 7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.767 -3.100 9.403 1.00 0.00 H new ATOM 514 N ILE A 39 4.678 -4.076 6.951 1.00 0.00 N ATOM 515 CA ILE A 39 3.563 -3.387 6.326 1.00 0.00 C ATOM 516 C ILE A 39 2.319 -4.275 6.391 1.00 0.00 C ATOM 517 O ILE A 39 1.196 -3.775 6.427 1.00 0.00 O ATOM 518 CB ILE A 39 3.932 -2.948 4.907 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.247 -2.166 4.900 1.00 0.00 C ATOM 520 CG2 ILE A 39 2.791 -2.157 4.264 1.00 0.00 C ATOM 521 CD1 ILE A 39 5.951 -2.289 3.547 1.00 0.00 C ATOM 0 H ILE A 39 5.392 -4.407 6.303 1.00 0.00 H new ATOM 0 HA ILE A 39 3.329 -2.471 6.868 1.00 0.00 H new ATOM 0 HB ILE A 39 4.085 -3.841 4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.051 -1.116 5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.900 -2.539 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.079 -1.857 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.898 -2.780 4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.582 -1.269 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.883 -1.724 3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.167 -3.338 3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.305 -1.893 2.763 1.00 0.00 H new ATOM 533 N GLU A 40 2.561 -5.578 6.402 1.00 0.00 N ATOM 534 CA GLU A 40 1.474 -6.540 6.462 1.00 0.00 C ATOM 535 C GLU A 40 0.820 -6.518 7.845 1.00 0.00 C ATOM 536 O GLU A 40 -0.325 -6.094 7.988 1.00 0.00 O ATOM 537 CB GLU A 40 1.966 -7.945 6.110 1.00 0.00 C ATOM 538 CG GLU A 40 1.217 -9.007 6.919 1.00 0.00 C ATOM 539 CD GLU A 40 1.258 -10.364 6.213 1.00 0.00 C ATOM 540 OE1 GLU A 40 2.341 -10.696 5.685 1.00 0.00 O ATOM 541 OE2 GLU A 40 0.205 -11.038 6.217 1.00 0.00 O ATOM 0 H GLU A 40 3.494 -5.990 6.370 1.00 0.00 H new ATOM 0 HA GLU A 40 0.724 -6.257 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.825 -8.127 5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.035 -8.020 6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.662 -9.095 7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.181 -8.698 7.061 1.00 0.00 H new ATOM 548 N ASP A 41 1.578 -6.980 8.830 1.00 0.00 N ATOM 549 CA ASP A 41 1.087 -7.019 10.197 1.00 0.00 C ATOM 550 C ASP A 41 0.342 -5.718 10.503 1.00 0.00 C ATOM 551 O ASP A 41 -0.708 -5.736 11.145 1.00 0.00 O ATOM 552 CB ASP A 41 2.241 -7.149 11.193 1.00 0.00 C ATOM 553 CG ASP A 41 1.905 -6.738 12.628 1.00 0.00 C ATOM 554 OD1 ASP A 41 1.852 -5.513 12.870 1.00 0.00 O ATOM 555 OD2 ASP A 41 1.710 -7.659 13.451 1.00 0.00 O ATOM 0 H ASP A 41 2.528 -7.330 8.708 1.00 0.00 H new ATOM 0 HA ASP A 41 0.428 -7.882 10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.582 -8.184 11.198 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.074 -6.540 10.842 1.00 0.00 H new ATOM 560 N VAL A 42 0.913 -4.621 10.030 1.00 0.00 N ATOM 561 CA VAL A 42 0.316 -3.313 10.246 1.00 0.00 C ATOM 562 C VAL A 42 -1.161 -3.361 9.850 1.00 0.00 C ATOM 563 O VAL A 42 -2.040 -3.217 10.698 1.00 0.00 O ATOM 564 CB VAL A 42 1.105 -2.246 9.486 1.00 0.00 C ATOM 565 CG1 VAL A 42 0.231 -1.026 9.187 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.364 -1.843 10.255 1.00 0.00 C ATOM 0 H VAL A 42 1.783 -4.610 9.498 1.00 0.00 H new ATOM 0 HA VAL A 42 0.361 -3.041 11.301 1.00 0.00 H new ATOM 0 HB VAL A 42 1.417 -2.676 8.534 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.817 -0.283 8.646 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.621 -1.329 8.579 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.126 -0.596 10.123 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.906 -1.083 9.692 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.083 -1.442 11.229 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.001 -2.716 10.393 1.00 0.00 H new ATOM 576 N PHE A 43 -1.389 -3.563 8.560 1.00 0.00 N ATOM 577 CA PHE A 43 -2.744 -3.631 8.041 1.00 0.00 C ATOM 578 C PHE A 43 -3.474 -4.865 8.574 1.00 0.00 C ATOM 579 O PHE A 43 -4.664 -4.804 8.877 1.00 0.00 O ATOM 580 CB PHE A 43 -2.635 -3.734 6.519 1.00 0.00 C ATOM 581 CG PHE A 43 -2.439 -2.390 5.815 1.00 0.00 C ATOM 582 CD1 PHE A 43 -1.223 -1.781 5.839 1.00 0.00 C ATOM 583 CD2 PHE A 43 -3.481 -1.803 5.167 1.00 0.00 C ATOM 584 CE1 PHE A 43 -1.041 -0.533 5.186 1.00 0.00 C ATOM 585 CE2 PHE A 43 -3.299 -0.555 4.515 1.00 0.00 C ATOM 586 CZ PHE A 43 -2.083 0.054 4.538 1.00 0.00 C ATOM 0 H PHE A 43 -0.658 -3.682 7.859 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.306 -2.749 8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.800 -4.388 6.269 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.538 -4.207 6.132 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.396 -2.246 6.355 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.447 -2.286 5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.075 -0.050 5.204 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.126 -0.089 4.001 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.945 1.003 4.042 1.00 0.00 H new ATOM 596 N TYR A 44 -2.729 -5.957 8.671 1.00 0.00 N ATOM 597 CA TYR A 44 -3.291 -7.204 9.162 1.00 0.00 C ATOM 598 C TYR A 44 -4.133 -6.970 10.418 1.00 0.00 C ATOM 599 O TYR A 44 -5.028 -7.756 10.725 1.00 0.00 O ATOM 600 CB TYR A 44 -2.097 -8.091 9.522 1.00 0.00 C ATOM 601 CG TYR A 44 -2.406 -9.589 9.499 1.00 0.00 C ATOM 602 CD1 TYR A 44 -3.120 -10.162 10.531 1.00 0.00 C ATOM 603 CD2 TYR A 44 -1.971 -10.368 8.446 1.00 0.00 C ATOM 604 CE1 TYR A 44 -3.412 -11.573 10.510 1.00 0.00 C ATOM 605 CE2 TYR A 44 -2.262 -11.778 8.424 1.00 0.00 C ATOM 606 CZ TYR A 44 -2.968 -12.311 9.457 1.00 0.00 C ATOM 607 OH TYR A 44 -3.243 -13.643 9.437 1.00 0.00 O ATOM 0 H TYR A 44 -1.742 -6.004 8.418 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.937 -7.656 8.409 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.283 -7.888 8.826 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.742 -7.819 10.516 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.460 -9.553 11.355 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.412 -9.920 7.638 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.970 -12.034 11.311 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.927 -12.398 7.606 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.866 -14.043 8.626 1.00 0.00 H new ATOM 617 N LYS A 45 -3.817 -5.885 11.109 1.00 0.00 N ATOM 618 CA LYS A 45 -4.534 -5.537 12.325 1.00 0.00 C ATOM 619 C LYS A 45 -6.031 -5.454 12.023 1.00 0.00 C ATOM 620 O LYS A 45 -6.857 -5.530 12.932 1.00 0.00 O ATOM 621 CB LYS A 45 -3.959 -4.258 12.938 1.00 0.00 C ATOM 622 CG LYS A 45 -4.373 -3.028 12.129 1.00 0.00 C ATOM 623 CD LYS A 45 -5.663 -2.417 12.680 1.00 0.00 C ATOM 624 CE LYS A 45 -5.362 -1.424 13.805 1.00 0.00 C ATOM 625 NZ LYS A 45 -6.619 -0.881 14.366 1.00 0.00 N ATOM 0 H LYS A 45 -3.074 -5.235 10.851 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.403 -6.312 13.080 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.306 -4.155 13.966 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.872 -4.325 12.974 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.575 -2.286 12.155 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.515 -3.306 11.085 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.202 -1.912 11.878 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.314 -3.208 13.053 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.790 -1.918 14.590 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.745 -0.610 13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.397 -0.209 15.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.151 -0.393 13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.194 -1.659 14.747 1.00 0.00 H new ATOM 639 N TYR A 46 -6.337 -5.300 10.743 1.00 0.00 N ATOM 640 CA TYR A 46 -7.721 -5.207 10.309 1.00 0.00 C ATOM 641 C TYR A 46 -8.249 -6.572 9.864 1.00 0.00 C ATOM 642 O TYR A 46 -9.265 -7.045 10.372 1.00 0.00 O ATOM 643 CB TYR A 46 -7.724 -4.256 9.111 1.00 0.00 C ATOM 644 CG TYR A 46 -7.877 -2.781 9.487 1.00 0.00 C ATOM 645 CD1 TYR A 46 -9.068 -2.323 10.012 1.00 0.00 C ATOM 646 CD2 TYR A 46 -6.823 -1.909 9.302 1.00 0.00 C ATOM 647 CE1 TYR A 46 -9.211 -0.934 10.367 1.00 0.00 C ATOM 648 CE2 TYR A 46 -6.967 -0.521 9.656 1.00 0.00 C ATOM 649 CZ TYR A 46 -8.154 -0.102 10.171 1.00 0.00 C ATOM 650 OH TYR A 46 -8.289 1.209 10.506 1.00 0.00 O ATOM 0 H TYR A 46 -5.650 -5.237 9.992 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.356 -4.856 11.123 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.795 -4.384 8.556 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.537 -4.535 8.440 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.893 -3.005 10.157 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.891 -2.268 8.892 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.137 -0.562 10.780 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.151 0.172 9.516 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.418 1.569 10.775 1.00 0.00 H new ATOM 660 N GLY A 47 -7.536 -7.168 8.919 1.00 0.00 N ATOM 661 CA GLY A 47 -7.920 -8.469 8.400 1.00 0.00 C ATOM 662 C GLY A 47 -6.691 -9.269 7.963 1.00 0.00 C ATOM 663 O GLY A 47 -5.726 -9.391 8.715 1.00 0.00 O ATOM 0 H GLY A 47 -6.694 -6.773 8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.466 -9.023 9.164 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.596 -8.342 7.554 1.00 0.00 H new ATOM 667 N ALA A 48 -6.768 -9.794 6.748 1.00 0.00 N ATOM 668 CA ALA A 48 -5.674 -10.579 6.202 1.00 0.00 C ATOM 669 C ALA A 48 -5.270 -10.007 4.842 1.00 0.00 C ATOM 670 O ALA A 48 -6.025 -9.250 4.235 1.00 0.00 O ATOM 671 CB ALA A 48 -6.094 -12.048 6.115 1.00 0.00 C ATOM 0 H ALA A 48 -7.571 -9.691 6.127 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.802 -10.527 6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.274 -12.637 5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.343 -12.415 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.965 -12.139 5.467 1.00 0.00 H new ATOM 677 N ILE A 49 -4.080 -10.390 4.404 1.00 0.00 N ATOM 678 CA ILE A 49 -3.566 -9.924 3.128 1.00 0.00 C ATOM 679 C ILE A 49 -3.421 -11.114 2.177 1.00 0.00 C ATOM 680 O ILE A 49 -3.102 -12.222 2.606 1.00 0.00 O ATOM 681 CB ILE A 49 -2.271 -9.134 3.327 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.536 -7.828 4.078 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.564 -8.895 1.991 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.291 -7.372 4.841 1.00 0.00 C ATOM 0 H ILE A 49 -3.457 -11.018 4.911 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.267 -9.229 2.666 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.598 -9.729 3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.839 -7.054 3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.363 -7.966 4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.647 -8.331 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.322 -9.853 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.220 -8.330 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.507 -6.441 5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.005 -8.138 5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.473 -7.211 4.139 1.00 0.00 H new ATOM 696 N ARG A 50 -3.662 -10.845 0.902 1.00 0.00 N ATOM 697 CA ARG A 50 -3.561 -11.879 -0.114 1.00 0.00 C ATOM 698 C ARG A 50 -2.155 -11.898 -0.715 1.00 0.00 C ATOM 699 O ARG A 50 -1.600 -12.965 -0.972 1.00 0.00 O ATOM 700 CB ARG A 50 -4.583 -11.656 -1.230 1.00 0.00 C ATOM 701 CG ARG A 50 -4.263 -12.524 -2.448 1.00 0.00 C ATOM 702 CD ARG A 50 -5.545 -13.014 -3.125 1.00 0.00 C ATOM 703 NE ARG A 50 -5.647 -14.486 -3.012 1.00 0.00 N ATOM 704 CZ ARG A 50 -6.671 -15.206 -3.488 1.00 0.00 C ATOM 705 NH1 ARG A 50 -7.687 -14.596 -4.112 1.00 0.00 N ATOM 706 NH2 ARG A 50 -6.679 -16.538 -3.340 1.00 0.00 N ATOM 0 H ARG A 50 -3.927 -9.925 0.549 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.767 -12.836 0.366 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.583 -11.890 -0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.588 -10.605 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.667 -11.952 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.660 -13.379 -2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.413 -12.545 -2.662 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.546 -12.721 -4.175 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.890 -14.983 -2.542 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.681 -13.582 -4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.466 -15.145 -4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.905 -17.003 -2.865 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.459 -17.087 -3.702 1.00 0.00 H new ATOM 720 N ASP A 51 -1.618 -10.704 -0.922 1.00 0.00 N ATOM 721 CA ASP A 51 -0.287 -10.571 -1.489 1.00 0.00 C ATOM 722 C ASP A 51 0.170 -9.115 -1.368 1.00 0.00 C ATOM 723 O ASP A 51 -0.654 -8.203 -1.337 1.00 0.00 O ATOM 724 CB ASP A 51 -0.279 -10.947 -2.971 1.00 0.00 C ATOM 725 CG ASP A 51 1.111 -11.132 -3.584 1.00 0.00 C ATOM 726 OD1 ASP A 51 1.947 -11.773 -2.911 1.00 0.00 O ATOM 727 OD2 ASP A 51 1.306 -10.628 -4.711 1.00 0.00 O ATOM 0 H ASP A 51 -2.081 -9.821 -0.707 1.00 0.00 H new ATOM 0 HA ASP A 51 0.380 -11.239 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.842 -11.872 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.806 -10.173 -3.530 1.00 0.00 H new ATOM 732 N ILE A 52 1.482 -8.944 -1.304 1.00 0.00 N ATOM 733 CA ILE A 52 2.059 -7.615 -1.187 1.00 0.00 C ATOM 734 C ILE A 52 3.150 -7.443 -2.246 1.00 0.00 C ATOM 735 O ILE A 52 3.975 -8.334 -2.442 1.00 0.00 O ATOM 736 CB ILE A 52 2.543 -7.364 0.242 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.411 -7.575 1.250 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.175 -5.977 0.372 1.00 0.00 C ATOM 739 CD1 ILE A 52 1.966 -7.859 2.647 1.00 0.00 C ATOM 0 H ILE A 52 2.162 -9.703 -1.331 1.00 0.00 H new ATOM 0 HA ILE A 52 1.304 -6.853 -1.380 1.00 0.00 H new ATOM 0 HB ILE A 52 3.319 -8.094 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.776 -6.689 1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.783 -8.406 0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.510 -5.825 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.027 -5.901 -0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.438 -5.216 0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.141 -8.005 3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.580 -8.759 2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.573 -7.016 2.976 1.00 0.00 H new ATOM 751 N ASP A 53 3.119 -6.291 -2.899 1.00 0.00 N ATOM 752 CA ASP A 53 4.096 -5.990 -3.932 1.00 0.00 C ATOM 753 C ASP A 53 4.816 -4.686 -3.584 1.00 0.00 C ATOM 754 O ASP A 53 4.203 -3.620 -3.567 1.00 0.00 O ATOM 755 CB ASP A 53 3.420 -5.808 -5.293 1.00 0.00 C ATOM 756 CG ASP A 53 2.865 -7.091 -5.916 1.00 0.00 C ATOM 757 OD1 ASP A 53 2.625 -8.041 -5.140 1.00 0.00 O ATOM 758 OD2 ASP A 53 2.693 -7.092 -7.154 1.00 0.00 O ATOM 0 H ASP A 53 2.433 -5.555 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 53 4.797 -6.823 -3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.605 -5.093 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.140 -5.368 -5.984 1.00 0.00 H new ATOM 763 N LEU A 54 6.107 -4.814 -3.314 1.00 0.00 N ATOM 764 CA LEU A 54 6.916 -3.658 -2.966 1.00 0.00 C ATOM 765 C LEU A 54 7.976 -3.440 -4.048 1.00 0.00 C ATOM 766 O LEU A 54 8.765 -4.338 -4.340 1.00 0.00 O ATOM 767 CB LEU A 54 7.497 -3.814 -1.560 1.00 0.00 C ATOM 768 CG LEU A 54 8.672 -2.897 -1.213 1.00 0.00 C ATOM 769 CD1 LEU A 54 8.220 -1.742 -0.318 1.00 0.00 C ATOM 770 CD2 LEU A 54 9.821 -3.691 -0.589 1.00 0.00 C ATOM 0 H LEU A 54 6.612 -5.700 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 54 6.301 -2.758 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.700 -3.639 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.819 -4.848 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 54 9.049 -2.459 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.074 -1.106 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.461 -1.156 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.803 -2.140 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.643 -3.016 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.475 -4.176 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.165 -4.448 -1.294 1.00 0.00 H new ATOM 782 N LYS A 55 7.960 -2.242 -4.614 1.00 0.00 N ATOM 783 CA LYS A 55 8.910 -1.895 -5.658 1.00 0.00 C ATOM 784 C LYS A 55 10.168 -1.304 -5.019 1.00 0.00 C ATOM 785 O LYS A 55 10.495 -0.140 -5.246 1.00 0.00 O ATOM 786 CB LYS A 55 8.256 -0.977 -6.693 1.00 0.00 C ATOM 787 CG LYS A 55 7.208 -1.733 -7.512 1.00 0.00 C ATOM 788 CD LYS A 55 5.854 -1.737 -6.800 1.00 0.00 C ATOM 789 CE LYS A 55 4.708 -1.882 -7.802 1.00 0.00 C ATOM 790 NZ LYS A 55 3.665 -2.788 -7.270 1.00 0.00 N ATOM 0 H LYS A 55 7.305 -1.500 -4.370 1.00 0.00 H new ATOM 0 HA LYS A 55 9.218 -2.786 -6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.788 -0.131 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.019 -0.571 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.105 -1.270 -8.494 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.540 -2.758 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.819 -2.556 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.733 -0.812 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.275 -0.904 -8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.090 -2.272 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.275 -3.361 -8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.082 -3.415 -6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.904 -2.226 -6.838 1.00 0.00 H new ATOM 880 N PRO A 61 10.537 7.704 -2.588 1.00 0.00 N ATOM 881 CA PRO A 61 10.206 6.852 -1.458 1.00 0.00 C ATOM 882 C PRO A 61 9.766 5.464 -1.929 1.00 0.00 C ATOM 883 O PRO A 61 9.285 5.309 -3.051 1.00 0.00 O ATOM 884 CB PRO A 61 9.115 7.599 -0.708 1.00 0.00 C ATOM 885 CG PRO A 61 8.550 8.611 -1.692 1.00 0.00 C ATOM 886 CD PRO A 61 9.512 8.707 -2.865 1.00 0.00 C ATOM 0 HA PRO A 61 11.060 6.664 -0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.340 6.915 -0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.518 8.096 0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.562 8.302 -2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.432 9.584 -1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.006 8.506 -3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.945 9.705 -2.941 1.00 0.00 H new ATOM 894 N PRO A 62 9.951 4.465 -1.025 1.00 0.00 N ATOM 895 CA PRO A 62 9.578 3.096 -1.336 1.00 0.00 C ATOM 896 C PRO A 62 8.060 2.914 -1.279 1.00 0.00 C ATOM 897 O PRO A 62 7.430 3.240 -0.274 1.00 0.00 O ATOM 898 CB PRO A 62 10.318 2.245 -0.316 1.00 0.00 C ATOM 899 CG PRO A 62 10.704 3.189 0.811 1.00 0.00 C ATOM 900 CD PRO A 62 10.517 4.612 0.312 1.00 0.00 C ATOM 0 HA PRO A 62 9.852 2.806 -2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.686 1.437 0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.201 1.783 -0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.085 3.008 1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.739 3.023 1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.850 5.176 0.964 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.465 5.149 0.284 1.00 0.00 H new ATOM 908 N PHE A 63 7.517 2.394 -2.370 1.00 0.00 N ATOM 909 CA PHE A 63 6.085 2.164 -2.456 1.00 0.00 C ATOM 910 C PHE A 63 5.779 0.679 -2.660 1.00 0.00 C ATOM 911 O PHE A 63 6.613 -0.065 -3.173 1.00 0.00 O ATOM 912 CB PHE A 63 5.579 2.949 -3.668 1.00 0.00 C ATOM 913 CG PHE A 63 6.313 2.624 -4.970 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.555 3.131 -5.195 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.724 1.829 -5.903 1.00 0.00 C ATOM 916 CE1 PHE A 63 8.237 2.830 -6.404 1.00 0.00 C ATOM 917 CE2 PHE A 63 6.405 1.528 -7.112 1.00 0.00 C ATOM 918 CZ PHE A 63 7.647 2.034 -7.337 1.00 0.00 C ATOM 0 H PHE A 63 8.043 2.125 -3.202 1.00 0.00 H new ATOM 0 HA PHE A 63 5.600 2.483 -1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.516 2.746 -3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.677 4.015 -3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.023 3.763 -4.454 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.738 1.426 -5.724 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.223 3.233 -6.583 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.937 0.897 -7.853 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.165 1.804 -8.256 1.00 0.00 H new ATOM 928 N ALA A 64 4.580 0.293 -2.249 1.00 0.00 N ATOM 929 CA ALA A 64 4.153 -1.090 -2.380 1.00 0.00 C ATOM 930 C ALA A 64 2.625 -1.151 -2.359 1.00 0.00 C ATOM 931 O ALA A 64 1.967 -0.199 -1.944 1.00 0.00 O ATOM 932 CB ALA A 64 4.786 -1.927 -1.267 1.00 0.00 C ATOM 0 H ALA A 64 3.891 0.914 -1.825 1.00 0.00 H new ATOM 0 HA ALA A 64 4.486 -1.507 -3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.466 -2.964 -1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.872 -1.873 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.472 -1.540 -0.298 1.00 0.00 H new ATOM 938 N PHE A 65 2.104 -2.282 -2.813 1.00 0.00 N ATOM 939 CA PHE A 65 0.665 -2.481 -2.851 1.00 0.00 C ATOM 940 C PHE A 65 0.247 -3.639 -1.944 1.00 0.00 C ATOM 941 O PHE A 65 1.008 -4.586 -1.750 1.00 0.00 O ATOM 942 CB PHE A 65 0.299 -2.822 -4.297 1.00 0.00 C ATOM 943 CG PHE A 65 0.387 -1.636 -5.259 1.00 0.00 C ATOM 944 CD1 PHE A 65 1.578 -1.010 -5.459 1.00 0.00 C ATOM 945 CD2 PHE A 65 -0.726 -1.206 -5.912 1.00 0.00 C ATOM 946 CE1 PHE A 65 1.659 0.092 -6.352 1.00 0.00 C ATOM 947 CE2 PHE A 65 -0.644 -0.105 -6.805 1.00 0.00 C ATOM 948 CZ PHE A 65 0.547 0.521 -7.005 1.00 0.00 C ATOM 0 H PHE A 65 2.653 -3.070 -3.158 1.00 0.00 H new ATOM 0 HA PHE A 65 0.156 -1.582 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.960 -3.613 -4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.715 -3.220 -4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.461 -1.350 -4.939 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.672 -1.702 -5.751 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.604 0.589 -6.512 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.527 0.235 -7.325 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.609 1.359 -7.683 1.00 0.00 H new ATOM 958 N VAL A 66 -0.962 -3.527 -1.413 1.00 0.00 N ATOM 959 CA VAL A 66 -1.490 -4.553 -0.531 1.00 0.00 C ATOM 960 C VAL A 66 -2.841 -5.034 -1.066 1.00 0.00 C ATOM 961 O VAL A 66 -3.731 -4.227 -1.328 1.00 0.00 O ATOM 962 CB VAL A 66 -1.570 -4.022 0.902 1.00 0.00 C ATOM 963 CG1 VAL A 66 -1.924 -5.142 1.883 1.00 0.00 C ATOM 964 CG2 VAL A 66 -0.265 -3.333 1.304 1.00 0.00 C ATOM 0 H VAL A 66 -1.591 -2.741 -1.577 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.824 -5.415 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.367 -3.279 0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.974 -4.738 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.890 -5.569 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.160 -5.918 1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.348 -2.965 2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.557 -4.046 1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.073 -2.497 0.632 1.00 0.00 H new ATOM 974 N GLU A 67 -2.950 -6.346 -1.213 1.00 0.00 N ATOM 975 CA GLU A 67 -4.177 -6.943 -1.712 1.00 0.00 C ATOM 976 C GLU A 67 -4.896 -7.695 -0.590 1.00 0.00 C ATOM 977 O GLU A 67 -4.335 -8.612 0.007 1.00 0.00 O ATOM 978 CB GLU A 67 -3.894 -7.868 -2.898 1.00 0.00 C ATOM 979 CG GLU A 67 -5.170 -8.145 -3.695 1.00 0.00 C ATOM 980 CD GLU A 67 -5.127 -7.450 -5.057 1.00 0.00 C ATOM 981 OE1 GLU A 67 -4.001 -7.284 -5.575 1.00 0.00 O ATOM 982 OE2 GLU A 67 -6.220 -7.099 -5.551 1.00 0.00 O ATOM 0 H GLU A 67 -2.209 -7.012 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.830 -6.144 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.147 -7.413 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.474 -8.808 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.290 -9.219 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.037 -7.798 -3.133 1.00 0.00 H new ATOM 989 N PHE A 68 -6.128 -7.278 -0.338 1.00 0.00 N ATOM 990 CA PHE A 68 -6.930 -7.901 0.702 1.00 0.00 C ATOM 991 C PHE A 68 -7.830 -8.993 0.120 1.00 0.00 C ATOM 992 O PHE A 68 -8.013 -9.071 -1.094 1.00 0.00 O ATOM 993 CB PHE A 68 -7.808 -6.803 1.307 1.00 0.00 C ATOM 994 CG PHE A 68 -7.133 -6.018 2.434 1.00 0.00 C ATOM 995 CD1 PHE A 68 -7.067 -6.546 3.686 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.599 -4.792 2.184 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.441 -5.817 4.731 1.00 0.00 C ATOM 998 CE2 PHE A 68 -5.973 -4.064 3.230 1.00 0.00 C ATOM 999 CZ PHE A 68 -5.907 -4.592 4.481 1.00 0.00 C ATOM 0 H PHE A 68 -6.590 -6.517 -0.835 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.281 -8.361 1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.099 -6.109 0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.724 -7.254 1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.491 -7.519 3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.651 -4.373 1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.389 -6.236 5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.549 -3.091 3.032 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.430 -4.038 5.276 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.368 -9.810 1.014 1.00 0.00 N ATOM 1010 CA GLU A 69 -9.244 -10.894 0.605 1.00 0.00 C ATOM 1011 C GLU A 69 -10.644 -10.358 0.296 1.00 0.00 C ATOM 1012 O GLU A 69 -11.318 -10.855 -0.605 1.00 0.00 O ATOM 1013 CB GLU A 69 -9.299 -11.988 1.673 1.00 0.00 C ATOM 1014 CG GLU A 69 -8.013 -12.816 1.676 1.00 0.00 C ATOM 1015 CD GLU A 69 -7.971 -13.769 0.480 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -9.006 -14.429 0.244 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -6.906 -13.815 -0.172 1.00 0.00 O ATOM 0 H GLU A 69 -8.214 -9.743 2.020 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.838 -11.339 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.447 -11.536 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.154 -12.638 1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.149 -12.152 1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.946 -13.386 2.602 1.00 0.00 H new ATOM 1024 N ASP A 70 -11.040 -9.353 1.062 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.347 -8.744 0.882 1.00 0.00 C ATOM 1026 C ASP A 70 -12.176 -7.245 0.631 1.00 0.00 C ATOM 1027 O ASP A 70 -11.146 -6.667 0.974 1.00 0.00 O ATOM 1028 CB ASP A 70 -13.212 -8.918 2.132 1.00 0.00 C ATOM 1029 CG ASP A 70 -14.466 -9.773 1.936 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -14.850 -9.957 0.760 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -15.012 -10.224 2.966 1.00 0.00 O ATOM 0 H ASP A 70 -10.479 -8.945 1.809 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.833 -9.231 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.604 -9.367 2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.514 -7.933 2.487 1.00 0.00 H new ATOM 1036 N PRO A 71 -13.229 -6.641 0.017 1.00 0.00 N ATOM 1037 CA PRO A 71 -13.206 -5.220 -0.285 1.00 0.00 C ATOM 1038 C PRO A 71 -13.422 -4.387 0.980 1.00 0.00 C ATOM 1039 O PRO A 71 -12.684 -3.437 1.236 1.00 0.00 O ATOM 1040 CB PRO A 71 -14.299 -5.020 -1.321 1.00 0.00 C ATOM 1041 CG PRO A 71 -15.199 -6.241 -1.219 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.466 -7.294 -0.405 1.00 0.00 C ATOM 0 HA PRO A 71 -12.243 -4.888 -0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.859 -4.105 -1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.877 -4.929 -2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.144 -5.980 -0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.437 -6.623 -2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -15.057 -7.614 0.453 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.261 -8.183 -1.001 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.436 -4.775 1.739 1.00 0.00 N ATOM 1051 CA ARG A 72 -14.759 -4.076 2.972 1.00 0.00 C ATOM 1052 C ARG A 72 -13.481 -3.760 3.753 1.00 0.00 C ATOM 1053 O ARG A 72 -13.191 -2.598 4.031 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.692 -4.911 3.851 1.00 0.00 C ATOM 1055 CG ARG A 72 -17.051 -5.106 3.176 1.00 0.00 C ATOM 1056 CD ARG A 72 -18.126 -5.466 4.204 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.361 -5.902 3.513 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.530 -6.120 4.131 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -20.631 -5.943 5.455 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.598 -6.514 3.424 1.00 0.00 N ATOM 0 H ARG A 72 -15.045 -5.565 1.524 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.265 -3.148 2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.238 -5.882 4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.827 -4.419 4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.335 -4.194 2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.980 -5.895 2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.765 -6.260 4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.338 -4.605 4.837 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.319 -6.045 2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.818 -5.642 5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.521 -6.109 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.521 -6.648 2.416 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.488 -6.680 3.894 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.752 -4.816 4.083 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.512 -4.665 4.826 1.00 0.00 C ATOM 1076 C ASP A 73 -10.558 -3.764 4.041 1.00 0.00 C ATOM 1077 O ASP A 73 -9.966 -2.842 4.600 1.00 0.00 O ATOM 1078 CB ASP A 73 -10.825 -6.017 5.031 1.00 0.00 C ATOM 1079 CG ASP A 73 -11.619 -7.027 5.862 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -12.797 -6.722 6.152 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -11.031 -8.080 6.189 1.00 0.00 O ATOM 0 H ASP A 73 -12.996 -5.779 3.850 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.751 -4.231 5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.619 -6.455 4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.862 -5.849 5.514 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.437 -4.062 2.755 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.564 -3.291 1.887 1.00 0.00 C ATOM 1088 C ALA A 74 -9.886 -1.803 2.039 1.00 0.00 C ATOM 1089 O ALA A 74 -9.030 -0.951 1.806 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.720 -3.776 0.444 1.00 0.00 C ATOM 0 H ALA A 74 -10.929 -4.827 2.294 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.521 -3.434 2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.065 -3.197 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.452 -4.831 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.754 -3.646 0.126 1.00 0.00 H new ATOM 1096 N GLU A 75 -11.124 -1.535 2.429 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.570 -0.165 2.615 1.00 0.00 C ATOM 1098 C GLU A 75 -11.306 0.289 4.052 1.00 0.00 C ATOM 1099 O GLU A 75 -10.645 1.302 4.276 1.00 0.00 O ATOM 1100 CB GLU A 75 -13.050 -0.016 2.256 1.00 0.00 C ATOM 1101 CG GLU A 75 -13.245 0.017 0.739 1.00 0.00 C ATOM 1102 CD GLU A 75 -13.791 1.373 0.286 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -14.521 1.989 1.092 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -13.465 1.763 -0.856 1.00 0.00 O ATOM 0 H GLU A 75 -11.832 -2.244 2.621 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.001 0.476 1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.616 -0.845 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.445 0.899 2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.295 -0.181 0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.932 -0.774 0.440 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.838 -0.482 4.989 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.668 -0.173 6.399 1.00 0.00 C ATOM 1113 C ASP A 76 -10.182 0.038 6.695 1.00 0.00 C ATOM 1114 O ASP A 76 -9.826 0.807 7.586 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.168 -1.320 7.279 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.681 -1.352 7.501 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.224 -0.288 7.868 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -14.261 -2.441 7.300 1.00 0.00 O ATOM 0 H ASP A 76 -12.387 -1.320 4.799 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.243 0.726 6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.862 -2.264 6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.675 -1.255 8.249 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.354 -0.659 5.930 1.00 0.00 N ATOM 1124 CA ALA A 77 -7.915 -0.558 6.099 1.00 0.00 C ATOM 1125 C ALA A 77 -7.448 0.826 5.644 1.00 0.00 C ATOM 1126 O ALA A 77 -6.927 1.603 6.442 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.229 -1.687 5.328 1.00 0.00 C ATOM 0 H ALA A 77 -9.653 -1.296 5.192 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.644 -0.669 7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.149 -1.611 5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.572 -2.649 5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.476 -1.607 4.269 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.651 1.092 4.362 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.258 2.369 3.791 1.00 0.00 C ATOM 1135 C VAL A 78 -7.973 3.498 4.535 1.00 0.00 C ATOM 1136 O VAL A 78 -7.433 4.595 4.674 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.534 2.376 2.286 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -8.946 2.884 1.990 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.486 3.205 1.540 1.00 0.00 C ATOM 0 H VAL A 78 -8.083 0.445 3.702 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.187 2.528 3.913 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.465 1.349 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.116 2.879 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.675 2.236 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.054 3.900 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.705 3.193 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.508 4.232 1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.497 2.781 1.712 1.00 0.00 H new ATOM 1149 N TYR A 79 -9.177 3.191 4.995 1.00 0.00 N ATOM 1150 CA TYR A 79 -9.972 4.166 5.722 1.00 0.00 C ATOM 1151 C TYR A 79 -9.288 4.564 7.031 1.00 0.00 C ATOM 1152 O TYR A 79 -9.695 5.526 7.681 1.00 0.00 O ATOM 1153 CB TYR A 79 -11.298 3.474 6.043 1.00 0.00 C ATOM 1154 CG TYR A 79 -12.396 3.721 5.006 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -12.058 4.058 3.710 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -13.724 3.608 5.365 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -13.091 4.290 2.734 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -14.756 3.840 4.389 1.00 0.00 C ATOM 1159 CZ TYR A 79 -14.389 4.170 3.122 1.00 0.00 C ATOM 1160 OH TYR A 79 -15.365 4.390 2.200 1.00 0.00 O ATOM 0 H TYR A 79 -9.621 2.280 4.878 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.106 5.071 5.129 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.125 2.401 6.126 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.648 3.816 7.017 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.019 4.148 3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.989 3.345 6.379 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.841 4.553 1.717 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.799 3.754 4.657 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.365 3.663 1.543 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.261 3.803 7.380 1.00 0.00 N ATOM 1171 CA GLY A 80 -7.517 4.065 8.601 1.00 0.00 C ATOM 1172 C GLY A 80 -6.037 4.311 8.299 1.00 0.00 C ATOM 1173 O GLY A 80 -5.549 5.431 8.441 1.00 0.00 O ATOM 0 H GLY A 80 -7.927 3.005 6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.938 4.933 9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.617 3.219 9.281 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.365 3.246 7.888 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.951 3.333 7.564 1.00 0.00 C ATOM 1179 C ARG A 81 -3.653 4.642 6.831 1.00 0.00 C ATOM 1180 O ARG A 81 -2.553 5.182 6.939 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.513 2.156 6.690 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.806 0.822 7.380 1.00 0.00 C ATOM 1183 CD ARG A 81 -3.224 0.797 8.795 1.00 0.00 C ATOM 1184 NE ARG A 81 -4.145 1.476 9.733 1.00 0.00 N ATOM 1185 CZ ARG A 81 -4.133 1.295 11.061 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -3.249 0.454 11.614 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -5.007 1.953 11.834 1.00 0.00 N ATOM 0 H ARG A 81 -5.773 2.318 7.772 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.394 3.303 8.501 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.033 2.196 5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.447 2.233 6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.883 0.660 7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.384 0.005 6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.063 -0.233 9.113 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.252 1.290 8.806 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.832 2.122 9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.585 -0.048 11.024 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.240 0.316 12.625 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.681 2.591 11.412 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.998 1.816 12.845 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.653 5.116 6.102 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.513 6.352 5.352 1.00 0.00 C ATOM 1203 C ASP A 82 -4.291 7.512 6.325 1.00 0.00 C ATOM 1204 O ASP A 82 -5.249 8.110 6.812 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.775 6.650 4.540 1.00 0.00 C ATOM 1206 CG ASP A 82 -5.796 8.020 3.858 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -4.752 8.378 3.273 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -6.856 8.677 3.937 1.00 0.00 O ATOM 0 H ASP A 82 -5.564 4.666 6.015 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.667 6.241 4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.889 5.879 3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.639 6.576 5.200 1.00 0.00 H new ATOM 1213 N GLY A 83 -3.022 7.795 6.579 1.00 0.00 N ATOM 1214 CA GLY A 83 -2.662 8.872 7.485 1.00 0.00 C ATOM 1215 C GLY A 83 -1.950 8.330 8.726 1.00 0.00 C ATOM 1216 O GLY A 83 -1.705 9.070 9.678 1.00 0.00 O ATOM 0 H GLY A 83 -2.230 7.297 6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.015 9.583 6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.558 9.415 7.784 1.00 0.00 H new ATOM 1220 N TYR A 84 -1.638 7.044 8.676 1.00 0.00 N ATOM 1221 CA TYR A 84 -0.959 6.394 9.784 1.00 0.00 C ATOM 1222 C TYR A 84 0.437 6.984 9.993 1.00 0.00 C ATOM 1223 O TYR A 84 0.966 7.664 9.115 1.00 0.00 O ATOM 1224 CB TYR A 84 -0.825 4.922 9.392 1.00 0.00 C ATOM 1225 CG TYR A 84 -0.421 4.004 10.548 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -1.016 4.151 11.785 1.00 0.00 C ATOM 1227 CD2 TYR A 84 0.537 3.030 10.353 1.00 0.00 C ATOM 1228 CE1 TYR A 84 -0.636 3.287 12.873 1.00 0.00 C ATOM 1229 CE2 TYR A 84 0.916 2.166 11.441 1.00 0.00 C ATOM 1230 CZ TYR A 84 0.311 2.337 12.647 1.00 0.00 C ATOM 1231 OH TYR A 84 0.670 1.522 13.675 1.00 0.00 O ATOM 0 H TYR A 84 -1.843 6.434 7.885 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.518 6.530 10.710 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.775 4.578 8.983 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.085 4.834 8.596 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.766 4.913 11.937 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.002 2.916 9.385 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.093 3.391 13.846 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.664 1.399 11.302 1.00 0.00 H new ATOM 0 HH TYR A 84 1.355 0.892 13.369 1.00 0.00 H new ATOM 1241 N ASP A 85 0.995 6.701 11.161 1.00 0.00 N ATOM 1242 CA ASP A 85 2.320 7.195 11.496 1.00 0.00 C ATOM 1243 C ASP A 85 3.196 6.025 11.948 1.00 0.00 C ATOM 1244 O ASP A 85 2.954 5.434 13.000 1.00 0.00 O ATOM 1245 CB ASP A 85 2.257 8.208 12.641 1.00 0.00 C ATOM 1246 CG ASP A 85 3.615 8.712 13.134 1.00 0.00 C ATOM 1247 OD1 ASP A 85 4.309 9.360 12.321 1.00 0.00 O ATOM 1248 OD2 ASP A 85 3.928 8.438 14.312 1.00 0.00 O ATOM 0 H ASP A 85 0.554 6.136 11.887 1.00 0.00 H new ATOM 0 HA ASP A 85 2.734 7.677 10.610 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.665 9.064 12.317 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.729 7.754 13.479 1.00 0.00 H new ATOM 1253 N TYR A 86 4.196 5.725 11.132 1.00 0.00 N ATOM 1254 CA TYR A 86 5.109 4.636 11.435 1.00 0.00 C ATOM 1255 C TYR A 86 6.563 5.074 11.251 1.00 0.00 C ATOM 1256 O TYR A 86 6.931 5.590 10.197 1.00 0.00 O ATOM 1257 CB TYR A 86 4.791 3.527 10.430 1.00 0.00 C ATOM 1258 CG TYR A 86 5.410 2.173 10.782 1.00 0.00 C ATOM 1259 CD1 TYR A 86 4.808 1.363 11.723 1.00 0.00 C ATOM 1260 CD2 TYR A 86 6.570 1.762 10.158 1.00 0.00 C ATOM 1261 CE1 TYR A 86 5.391 0.088 12.054 1.00 0.00 C ATOM 1262 CE2 TYR A 86 7.152 0.487 10.488 1.00 0.00 C ATOM 1263 CZ TYR A 86 6.534 -0.287 11.420 1.00 0.00 C ATOM 1264 OH TYR A 86 7.084 -1.491 11.733 1.00 0.00 O ATOM 0 H TYR A 86 4.394 6.217 10.261 1.00 0.00 H new ATOM 0 HA TYR A 86 4.989 4.310 12.468 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.709 3.413 10.360 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.144 3.831 9.445 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.900 1.685 12.211 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.041 2.397 9.422 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.931 -0.556 12.789 1.00 0.00 H new ATOM 0 HE2 TYR A 86 8.059 0.153 10.006 1.00 0.00 H new ATOM 0 HH TYR A 86 7.896 -1.627 11.202 1.00 0.00 H new ATOM 1274 N ASP A 87 7.352 4.850 12.292 1.00 0.00 N ATOM 1275 CA ASP A 87 8.758 5.215 12.258 1.00 0.00 C ATOM 1276 C ASP A 87 8.884 6.739 12.209 1.00 0.00 C ATOM 1277 O ASP A 87 9.931 7.267 11.836 1.00 0.00 O ATOM 1278 CB ASP A 87 9.445 4.643 11.017 1.00 0.00 C ATOM 1279 CG ASP A 87 10.948 4.398 11.165 1.00 0.00 C ATOM 1280 OD1 ASP A 87 11.511 4.907 12.158 1.00 0.00 O ATOM 1281 OD2 ASP A 87 11.500 3.707 10.281 1.00 0.00 O ATOM 0 H ASP A 87 7.044 4.420 13.164 1.00 0.00 H new ATOM 0 HA ASP A 87 9.233 4.811 13.152 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.963 3.701 10.755 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.284 5.327 10.183 1.00 0.00 H new ATOM 1286 N GLY A 88 7.803 7.403 12.591 1.00 0.00 N ATOM 1287 CA GLY A 88 7.780 8.856 12.595 1.00 0.00 C ATOM 1288 C GLY A 88 7.442 9.403 11.207 1.00 0.00 C ATOM 1289 O GLY A 88 7.510 10.609 10.978 1.00 0.00 O ATOM 0 H GLY A 88 6.937 6.962 12.900 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.045 9.210 13.318 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.750 9.238 12.914 1.00 0.00 H new ATOM 1293 N TYR A 89 7.085 8.489 10.317 1.00 0.00 N ATOM 1294 CA TYR A 89 6.736 8.864 8.958 1.00 0.00 C ATOM 1295 C TYR A 89 5.229 8.741 8.724 1.00 0.00 C ATOM 1296 O TYR A 89 4.613 7.757 9.130 1.00 0.00 O ATOM 1297 CB TYR A 89 7.463 7.874 8.046 1.00 0.00 C ATOM 1298 CG TYR A 89 8.814 8.377 7.533 1.00 0.00 C ATOM 1299 CD1 TYR A 89 8.892 9.579 6.860 1.00 0.00 C ATOM 1300 CD2 TYR A 89 9.954 7.628 7.742 1.00 0.00 C ATOM 1301 CE1 TYR A 89 10.163 10.053 6.376 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.225 8.102 7.258 1.00 0.00 C ATOM 1303 CZ TYR A 89 11.267 9.291 6.599 1.00 0.00 C ATOM 1304 OH TYR A 89 12.467 9.738 6.143 1.00 0.00 O ATOM 0 H TYR A 89 7.030 7.489 10.511 1.00 0.00 H new ATOM 0 HA TYR A 89 7.019 9.898 8.762 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.616 6.941 8.589 1.00 0.00 H new ATOM 0 HB3 TYR A 89 6.824 7.645 7.193 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.000 10.165 6.696 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.893 6.687 8.268 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.238 10.992 5.848 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.125 7.526 7.415 1.00 0.00 H new ATOM 0 HH TYR A 89 13.166 9.092 6.375 1.00 0.00 H new ATOM 1314 N ARG A 90 4.679 9.755 8.072 1.00 0.00 N ATOM 1315 CA ARG A 90 3.255 9.772 7.780 1.00 0.00 C ATOM 1316 C ARG A 90 2.964 8.974 6.507 1.00 0.00 C ATOM 1317 O ARG A 90 3.000 9.521 5.406 1.00 0.00 O ATOM 1318 CB ARG A 90 2.747 11.204 7.603 1.00 0.00 C ATOM 1319 CG ARG A 90 1.798 11.594 8.737 1.00 0.00 C ATOM 1320 CD ARG A 90 0.580 12.348 8.199 1.00 0.00 C ATOM 1321 NE ARG A 90 -0.642 11.910 8.911 1.00 0.00 N ATOM 1322 CZ ARG A 90 -0.913 12.205 10.189 1.00 0.00 C ATOM 1323 NH1 ARG A 90 -0.051 12.941 10.904 1.00 0.00 N ATOM 1324 NH2 ARG A 90 -2.046 11.765 10.753 1.00 0.00 N ATOM 0 H ARG A 90 5.193 10.570 7.738 1.00 0.00 H new ATOM 0 HA ARG A 90 2.738 9.316 8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.592 11.893 7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.233 11.295 6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.471 10.699 9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.326 12.217 9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.721 13.421 8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.473 12.166 7.130 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.320 11.348 8.396 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.811 13.276 10.475 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.257 13.166 11.877 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.703 11.205 10.209 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.252 11.990 11.726 1.00 0.00 H new ATOM 1338 N LEU A 91 2.684 7.694 6.701 1.00 0.00 N ATOM 1339 CA LEU A 91 2.387 6.815 5.583 1.00 0.00 C ATOM 1340 C LEU A 91 1.210 7.386 4.790 1.00 0.00 C ATOM 1341 O LEU A 91 0.371 8.096 5.342 1.00 0.00 O ATOM 1342 CB LEU A 91 2.162 5.383 6.072 1.00 0.00 C ATOM 1343 CG LEU A 91 3.269 4.792 6.948 1.00 0.00 C ATOM 1344 CD1 LEU A 91 2.716 3.701 7.867 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.433 4.286 6.093 1.00 0.00 C ATOM 0 H LEU A 91 2.656 7.244 7.616 1.00 0.00 H new ATOM 0 HA LEU A 91 3.237 6.765 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.228 5.354 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.032 4.739 5.202 1.00 0.00 H new ATOM 0 HG LEU A 91 3.660 5.584 7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.523 3.297 8.479 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.947 4.125 8.513 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.283 2.902 7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.206 3.871 6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.076 3.513 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.848 5.113 5.517 1.00 0.00 H new ATOM 1357 N ARG A 92 1.186 7.054 3.507 1.00 0.00 N ATOM 1358 CA ARG A 92 0.125 7.525 2.632 1.00 0.00 C ATOM 1359 C ARG A 92 -0.574 6.341 1.961 1.00 0.00 C ATOM 1360 O ARG A 92 -0.014 5.713 1.063 1.00 0.00 O ATOM 1361 CB ARG A 92 0.675 8.462 1.555 1.00 0.00 C ATOM 1362 CG ARG A 92 -0.146 9.750 1.477 1.00 0.00 C ATOM 1363 CD ARG A 92 0.636 10.857 0.767 1.00 0.00 C ATOM 1364 NE ARG A 92 0.127 12.183 1.183 1.00 0.00 N ATOM 1365 CZ ARG A 92 0.345 12.727 2.389 1.00 0.00 C ATOM 1366 NH1 ARG A 92 1.063 12.061 3.304 1.00 0.00 N ATOM 1367 NH2 ARG A 92 -0.155 13.935 2.679 1.00 0.00 N ATOM 0 H ARG A 92 1.884 6.465 3.053 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.591 8.074 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.715 8.702 1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.661 7.959 0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.078 9.560 0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.414 10.076 2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 92 1.697 10.774 1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.542 10.745 -0.313 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.424 12.716 0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.443 11.141 3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.229 12.474 4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.702 14.441 1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.011 14.349 3.596 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.787 6.073 2.421 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.568 4.975 1.876 1.00 0.00 C ATOM 1383 C VAL A 93 -3.693 5.539 1.007 1.00 0.00 C ATOM 1384 O VAL A 93 -4.448 6.405 1.446 1.00 0.00 O ATOM 1385 CB VAL A 93 -3.078 4.083 3.009 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.572 2.739 2.469 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -2.000 3.881 4.076 1.00 0.00 C ATOM 0 H VAL A 93 -2.248 6.597 3.165 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.948 4.345 1.238 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.923 4.588 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.929 2.124 3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.386 2.907 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.753 2.227 1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.389 3.243 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.127 3.409 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.716 4.847 4.493 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.770 5.024 -0.212 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.791 5.466 -1.147 1.00 0.00 C ATOM 1399 C GLU A 94 -4.990 4.421 -2.248 1.00 0.00 C ATOM 1400 O GLU A 94 -4.079 3.651 -2.550 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.436 6.829 -1.743 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.192 6.734 -2.629 1.00 0.00 C ATOM 1403 CD GLU A 94 -3.492 7.216 -4.050 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -3.817 8.416 -4.185 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -3.391 6.375 -4.968 1.00 0.00 O ATOM 0 H GLU A 94 -3.143 4.306 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.730 5.577 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.276 7.204 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.261 7.546 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.389 7.333 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.840 5.703 -2.658 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.186 4.429 -2.817 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.515 3.492 -3.878 1.00 0.00 C ATOM 1414 C PHE A 95 -5.925 3.946 -5.214 1.00 0.00 C ATOM 1415 O PHE A 95 -5.762 5.142 -5.450 1.00 0.00 O ATOM 1416 CB PHE A 95 -8.041 3.463 -3.991 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.730 2.628 -2.910 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.436 1.306 -2.781 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -9.635 3.208 -2.077 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -9.075 0.531 -1.777 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -10.274 2.433 -1.073 1.00 0.00 C ATOM 1422 CZ PHE A 95 -9.981 1.111 -0.944 1.00 0.00 C ATOM 0 H PHE A 95 -6.939 5.069 -2.564 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.105 2.509 -3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.418 4.485 -3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.315 3.069 -4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.717 0.846 -3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.868 4.258 -2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.842 -0.519 -1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.993 2.894 -0.412 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.467 0.522 -0.181 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.613 2.941 -6.076 1.00 0.00 N ATOM 1433 CA PRO A 96 -5.044 3.226 -7.383 1.00 0.00 C ATOM 1434 C PRO A 96 -6.111 3.762 -8.340 1.00 0.00 C ATOM 1435 O PRO A 96 -6.804 2.988 -8.999 1.00 0.00 O ATOM 1436 CB PRO A 96 -4.440 1.909 -7.844 1.00 0.00 C ATOM 1437 CG PRO A 96 -5.094 0.831 -6.995 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.792 1.513 -5.830 1.00 0.00 C ATOM 0 HA PRO A 96 -4.285 4.008 -7.351 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.631 1.741 -8.904 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.358 1.908 -7.711 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.809 0.261 -7.587 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.347 0.126 -6.632 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.848 1.247 -5.791 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.353 1.217 -4.877 1.00 0.00 H new