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 30:sc= -0.66 USER MOD Single : A 29 ASN : amide:sc= -1.03 K(o=-1,f=-3.5!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0254 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+ -130:sc=-0.00571 (180deg=-1.42!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 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 -7.111 -3.863 -3.814 1.00 0.00 N ATOM 264 CA ARG A 24 -5.721 -3.443 -3.874 1.00 0.00 C ATOM 265 C ARG A 24 -5.583 -1.997 -3.393 1.00 0.00 C ATOM 266 O ARG A 24 -6.283 -1.108 -3.875 1.00 0.00 O ATOM 267 CB ARG A 24 -5.174 -3.553 -5.299 1.00 0.00 C ATOM 268 CG ARG A 24 -5.818 -2.511 -6.216 1.00 0.00 C ATOM 269 CD ARG A 24 -5.404 -2.732 -7.672 1.00 0.00 C ATOM 270 NE ARG A 24 -3.973 -2.397 -7.848 1.00 0.00 N ATOM 271 CZ ARG A 24 -3.333 -2.429 -9.024 1.00 0.00 C ATOM 272 NH1 ARG A 24 -3.992 -2.780 -10.137 1.00 0.00 N ATOM 273 NH2 ARG A 24 -2.033 -2.109 -9.089 1.00 0.00 N ATOM 0 HA ARG A 24 -5.146 -4.103 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.093 -3.415 -5.289 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.364 -4.553 -5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.903 -2.567 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.524 -1.511 -5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.581 -3.770 -7.955 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.014 -2.114 -8.330 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.441 -2.125 -7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.981 -3.023 -10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.504 -2.804 -11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.531 -1.841 -8.243 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.546 -2.134 -9.985 1.00 0.00 H new ATOM 287 N ILE A 25 -4.674 -1.807 -2.447 1.00 0.00 N ATOM 288 CA ILE A 25 -4.435 -0.484 -1.895 1.00 0.00 C ATOM 289 C ILE A 25 -2.944 -0.155 -1.999 1.00 0.00 C ATOM 290 O ILE A 25 -2.097 -1.001 -1.717 1.00 0.00 O ATOM 291 CB ILE A 25 -4.988 -0.390 -0.472 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.315 -1.412 0.447 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.512 -0.529 -0.465 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.364 -0.954 1.906 1.00 0.00 C ATOM 0 H ILE A 25 -4.095 -2.547 -2.049 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.970 0.272 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.753 0.599 -0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.811 -2.377 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.278 -1.554 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.879 -0.459 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.953 0.268 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.791 -1.495 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.879 -1.698 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.846 -0.000 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.402 -0.837 2.216 1.00 0.00 H new ATOM 306 N TYR A 26 -2.670 1.076 -2.404 1.00 0.00 N ATOM 307 CA TYR A 26 -1.296 1.527 -2.548 1.00 0.00 C ATOM 308 C TYR A 26 -0.846 2.317 -1.317 1.00 0.00 C ATOM 309 O TYR A 26 -1.551 3.216 -0.861 1.00 0.00 O ATOM 310 CB TYR A 26 -1.282 2.453 -3.766 1.00 0.00 C ATOM 311 CG TYR A 26 0.038 3.200 -3.965 1.00 0.00 C ATOM 312 CD1 TYR A 26 0.243 4.416 -3.345 1.00 0.00 C ATOM 313 CD2 TYR A 26 1.024 2.658 -4.764 1.00 0.00 C ATOM 314 CE1 TYR A 26 1.485 5.120 -3.532 1.00 0.00 C ATOM 315 CE2 TYR A 26 2.267 3.362 -4.951 1.00 0.00 C ATOM 316 CZ TYR A 26 2.436 4.558 -4.326 1.00 0.00 C ATOM 317 OH TYR A 26 3.610 5.222 -4.502 1.00 0.00 O ATOM 0 H TYR A 26 -3.375 1.775 -2.637 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.623 0.677 -2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.493 1.865 -4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.088 3.180 -3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.529 4.840 -2.719 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.864 1.706 -5.249 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.658 6.072 -3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.047 2.949 -5.574 1.00 0.00 H new ATOM 0 HH TYR A 26 3.808 5.754 -3.703 1.00 0.00 H new ATOM 327 N VAL A 27 0.325 1.953 -0.815 1.00 0.00 N ATOM 328 CA VAL A 27 0.877 2.616 0.354 1.00 0.00 C ATOM 329 C VAL A 27 2.113 3.419 -0.057 1.00 0.00 C ATOM 330 O VAL A 27 3.040 2.875 -0.655 1.00 0.00 O ATOM 331 CB VAL A 27 1.168 1.589 1.449 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.745 2.265 2.695 1.00 0.00 C ATOM 333 CG2 VAL A 27 -0.087 0.784 1.794 1.00 0.00 C ATOM 0 H VAL A 27 0.907 1.207 -1.197 1.00 0.00 H new ATOM 0 HA VAL A 27 0.156 3.319 0.771 1.00 0.00 H new ATOM 0 HB VAL A 27 1.917 0.895 1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.943 1.513 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.674 2.773 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.029 2.992 3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.148 0.061 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.867 1.459 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.437 0.258 0.906 1.00 0.00 H new ATOM 343 N GLY A 28 2.086 4.700 0.280 1.00 0.00 N ATOM 344 CA GLY A 28 3.193 5.583 -0.046 1.00 0.00 C ATOM 345 C GLY A 28 3.738 6.266 1.209 1.00 0.00 C ATOM 346 O GLY A 28 3.240 6.038 2.311 1.00 0.00 O ATOM 0 H GLY A 28 1.315 5.148 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.987 5.013 -0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.863 6.337 -0.760 1.00 0.00 H new ATOM 350 N ASN A 29 4.754 7.091 1.002 1.00 0.00 N ATOM 351 CA ASN A 29 5.372 7.809 2.104 1.00 0.00 C ATOM 352 C ASN A 29 5.868 6.806 3.146 1.00 0.00 C ATOM 353 O ASN A 29 5.629 6.977 4.341 1.00 0.00 O ATOM 354 CB ASN A 29 4.368 8.742 2.785 1.00 0.00 C ATOM 355 CG ASN A 29 3.911 9.846 1.830 1.00 0.00 C ATOM 356 OD1 ASN A 29 3.864 9.679 0.623 1.00 0.00 O ATOM 357 ND2 ASN A 29 3.577 10.982 2.437 1.00 0.00 N ATOM 0 H ASN A 29 5.165 7.278 0.087 1.00 0.00 H new ATOM 0 HA ASN A 29 6.197 8.398 1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.505 8.169 3.123 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.822 9.187 3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.259 11.780 1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.639 11.055 3.452 1.00 0.00 H new ATOM 364 N LEU A 30 6.550 5.780 2.657 1.00 0.00 N ATOM 365 CA LEU A 30 7.082 4.749 3.532 1.00 0.00 C ATOM 366 C LEU A 30 8.571 5.006 3.768 1.00 0.00 C ATOM 367 O LEU A 30 9.213 5.714 2.994 1.00 0.00 O ATOM 368 CB LEU A 30 6.778 3.360 2.968 1.00 0.00 C ATOM 369 CG LEU A 30 5.341 2.865 3.139 1.00 0.00 C ATOM 370 CD1 LEU A 30 4.988 1.824 2.075 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.107 2.338 4.556 1.00 0.00 C ATOM 0 H LEU A 30 6.746 5.641 1.666 1.00 0.00 H new ATOM 0 HA LEU A 30 6.594 4.785 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.016 3.362 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.447 2.643 3.443 1.00 0.00 H new ATOM 0 HG LEU A 30 4.670 3.712 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.961 1.489 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.089 2.268 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.663 0.972 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.078 1.992 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.787 1.509 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.289 3.136 5.276 1.00 0.00 H new ATOM 383 N PRO A 31 9.091 4.399 4.869 1.00 0.00 N ATOM 384 CA PRO A 31 10.494 4.555 5.216 1.00 0.00 C ATOM 385 C PRO A 31 11.383 3.720 4.294 1.00 0.00 C ATOM 386 O PRO A 31 10.903 2.811 3.618 1.00 0.00 O ATOM 387 CB PRO A 31 10.587 4.132 6.673 1.00 0.00 C ATOM 388 CG PRO A 31 9.333 3.319 6.952 1.00 0.00 C ATOM 389 CD PRO A 31 8.361 3.553 5.808 1.00 0.00 C ATOM 0 HA PRO A 31 10.848 5.578 5.088 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.484 3.539 6.851 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.643 5.001 7.329 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.576 2.260 7.036 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.886 3.620 7.900 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.062 2.613 5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.450 4.041 6.156 1.00 0.00 H new ATOM 397 N PRO A 32 12.698 4.066 4.295 1.00 0.00 N ATOM 398 CA PRO A 32 13.660 3.359 3.466 1.00 0.00 C ATOM 399 C PRO A 32 13.986 1.985 4.056 1.00 0.00 C ATOM 400 O PRO A 32 14.349 1.063 3.327 1.00 0.00 O ATOM 401 CB PRO A 32 14.869 4.277 3.395 1.00 0.00 C ATOM 402 CG PRO A 32 14.725 5.246 4.557 1.00 0.00 C ATOM 403 CD PRO A 32 13.303 5.137 5.082 1.00 0.00 C ATOM 0 HA PRO A 32 13.279 3.147 2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.796 3.709 3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.900 4.809 2.444 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.441 5.008 5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.935 6.265 4.232 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.291 4.902 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.762 6.075 4.957 1.00 0.00 H new ATOM 411 N ASP A 33 13.843 1.891 5.370 1.00 0.00 N ATOM 412 CA ASP A 33 14.118 0.646 6.065 1.00 0.00 C ATOM 413 C ASP A 33 12.796 -0.042 6.412 1.00 0.00 C ATOM 414 O ASP A 33 12.612 -0.512 7.534 1.00 0.00 O ATOM 415 CB ASP A 33 14.875 0.899 7.370 1.00 0.00 C ATOM 416 CG ASP A 33 15.747 -0.264 7.848 1.00 0.00 C ATOM 417 OD1 ASP A 33 16.182 -1.044 6.974 1.00 0.00 O ATOM 418 OD2 ASP A 33 15.959 -0.346 9.077 1.00 0.00 O ATOM 0 H ASP A 33 13.540 2.657 5.971 1.00 0.00 H new ATOM 0 HA ASP A 33 14.726 0.022 5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.507 1.778 7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.153 1.137 8.151 1.00 0.00 H new ATOM 423 N ILE A 34 11.910 -0.080 5.428 1.00 0.00 N ATOM 424 CA ILE A 34 10.610 -0.702 5.614 1.00 0.00 C ATOM 425 C ILE A 34 10.640 -2.119 5.037 1.00 0.00 C ATOM 426 O ILE A 34 11.451 -2.419 4.162 1.00 0.00 O ATOM 427 CB ILE A 34 9.505 0.178 5.027 1.00 0.00 C ATOM 428 CG1 ILE A 34 8.134 -0.227 5.572 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.543 0.158 3.498 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.982 0.187 7.037 1.00 0.00 C ATOM 0 H ILE A 34 12.067 0.310 4.499 1.00 0.00 H new ATOM 0 HA ILE A 34 10.381 -0.794 6.676 1.00 0.00 H new ATOM 0 HB ILE A 34 9.685 1.207 5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.350 0.239 4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.006 -1.306 5.480 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.747 0.791 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.507 0.531 3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.402 -0.863 3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.999 -0.113 7.400 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.753 -0.300 7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.086 1.269 7.122 1.00 0.00 H new ATOM 442 N ARG A 35 9.747 -2.952 5.551 1.00 0.00 N ATOM 443 CA ARG A 35 9.662 -4.330 5.097 1.00 0.00 C ATOM 444 C ARG A 35 8.215 -4.684 4.745 1.00 0.00 C ATOM 445 O ARG A 35 7.280 -4.094 5.284 1.00 0.00 O ATOM 446 CB ARG A 35 10.169 -5.295 6.170 1.00 0.00 C ATOM 447 CG ARG A 35 11.697 -5.378 6.154 1.00 0.00 C ATOM 448 CD ARG A 35 12.165 -6.809 5.881 1.00 0.00 C ATOM 449 NE ARG A 35 13.567 -6.801 5.406 1.00 0.00 N ATOM 450 CZ ARG A 35 14.371 -7.873 5.419 1.00 0.00 C ATOM 451 NH1 ARG A 35 13.917 -9.045 5.883 1.00 0.00 N ATOM 452 NH2 ARG A 35 15.629 -7.772 4.969 1.00 0.00 N ATOM 0 H ARG A 35 9.076 -2.700 6.277 1.00 0.00 H new ATOM 0 HA ARG A 35 10.290 -4.427 4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.829 -4.964 7.152 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.746 -6.285 6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.093 -4.710 5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 35 12.093 -5.038 7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.083 -7.407 6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.522 -7.275 5.134 1.00 0.00 H new ATOM 0 HE ARG A 35 13.945 -5.925 5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.960 -9.121 6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.529 -9.861 5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 35 15.974 -6.879 4.617 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.241 -8.588 4.979 1.00 0.00 H new ATOM 466 N THR A 36 8.077 -5.645 3.844 1.00 0.00 N ATOM 467 CA THR A 36 6.761 -6.084 3.414 1.00 0.00 C ATOM 468 C THR A 36 6.023 -6.765 4.568 1.00 0.00 C ATOM 469 O THR A 36 4.794 -6.831 4.571 1.00 0.00 O ATOM 470 CB THR A 36 6.940 -6.986 2.191 1.00 0.00 C ATOM 471 OG1 THR A 36 7.913 -6.309 1.400 1.00 0.00 O ATOM 472 CG2 THR A 36 5.695 -7.020 1.302 1.00 0.00 C ATOM 0 H THR A 36 8.855 -6.132 3.400 1.00 0.00 H new ATOM 0 HA THR A 36 6.137 -5.239 3.124 1.00 0.00 H new ATOM 0 HB THR A 36 7.181 -7.998 2.518 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.091 -6.826 0.587 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.875 -7.674 0.449 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.848 -7.397 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.474 -6.013 0.947 1.00 0.00 H new ATOM 480 N LYS A 37 6.803 -7.254 5.521 1.00 0.00 N ATOM 481 CA LYS A 37 6.238 -7.927 6.678 1.00 0.00 C ATOM 482 C LYS A 37 5.585 -6.892 7.597 1.00 0.00 C ATOM 483 O LYS A 37 4.399 -6.992 7.906 1.00 0.00 O ATOM 484 CB LYS A 37 7.301 -8.781 7.372 1.00 0.00 C ATOM 485 CG LYS A 37 6.758 -10.175 7.697 1.00 0.00 C ATOM 486 CD LYS A 37 7.427 -11.241 6.827 1.00 0.00 C ATOM 487 CE LYS A 37 7.586 -12.554 7.595 1.00 0.00 C ATOM 488 NZ LYS A 37 8.265 -13.567 6.755 1.00 0.00 N ATOM 0 H LYS A 37 7.821 -7.197 5.515 1.00 0.00 H new ATOM 0 HA LYS A 37 5.455 -8.620 6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.178 -8.869 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.625 -8.290 8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.930 -10.400 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.680 -10.195 7.538 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.831 -11.410 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.404 -10.887 6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.161 -12.383 8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.607 -12.924 7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.365 -14.452 7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.701 -13.743 5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.207 -13.218 6.484 1.00 0.00 H new ATOM 502 N ASP A 38 6.388 -5.922 8.007 1.00 0.00 N ATOM 503 CA ASP A 38 5.903 -4.869 8.884 1.00 0.00 C ATOM 504 C ASP A 38 4.574 -4.336 8.347 1.00 0.00 C ATOM 505 O ASP A 38 3.625 -4.146 9.106 1.00 0.00 O ATOM 506 CB ASP A 38 6.891 -3.703 8.943 1.00 0.00 C ATOM 507 CG ASP A 38 8.178 -3.984 9.721 1.00 0.00 C ATOM 508 OD1 ASP A 38 8.074 -4.126 10.958 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.238 -4.050 9.061 1.00 0.00 O ATOM 0 H ASP A 38 7.371 -5.842 7.748 1.00 0.00 H new ATOM 0 HA ASP A 38 5.782 -5.290 9.882 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.155 -3.418 7.924 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.391 -2.846 9.394 1.00 0.00 H new ATOM 514 N ILE A 39 4.547 -4.110 7.041 1.00 0.00 N ATOM 515 CA ILE A 39 3.349 -3.603 6.394 1.00 0.00 C ATOM 516 C ILE A 39 2.248 -4.662 6.467 1.00 0.00 C ATOM 517 O ILE A 39 1.065 -4.330 6.532 1.00 0.00 O ATOM 518 CB ILE A 39 3.665 -3.141 4.970 1.00 0.00 C ATOM 519 CG1 ILE A 39 4.785 -2.099 4.967 1.00 0.00 C ATOM 520 CG2 ILE A 39 2.405 -2.630 4.267 1.00 0.00 C ATOM 521 CD1 ILE A 39 5.489 -2.055 3.609 1.00 0.00 C ATOM 0 H ILE A 39 5.336 -4.269 6.414 1.00 0.00 H new ATOM 0 HA ILE A 39 2.978 -2.721 6.916 1.00 0.00 H new ATOM 0 HB ILE A 39 4.024 -4.001 4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.373 -1.117 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.508 -2.335 5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.657 -2.308 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.666 -3.429 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.994 -1.788 4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.281 -1.306 3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.920 -3.032 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.768 -1.795 2.834 1.00 0.00 H new ATOM 533 N GLU A 40 2.675 -5.916 6.454 1.00 0.00 N ATOM 534 CA GLU A 40 1.740 -7.026 6.518 1.00 0.00 C ATOM 535 C GLU A 40 1.084 -7.089 7.899 1.00 0.00 C ATOM 536 O GLU A 40 -0.140 -7.027 8.013 1.00 0.00 O ATOM 537 CB GLU A 40 2.433 -8.348 6.180 1.00 0.00 C ATOM 538 CG GLU A 40 1.883 -9.490 7.037 1.00 0.00 C ATOM 539 CD GLU A 40 2.188 -10.848 6.401 1.00 0.00 C ATOM 540 OE1 GLU A 40 3.315 -11.339 6.625 1.00 0.00 O ATOM 541 OE2 GLU A 40 1.287 -11.364 5.706 1.00 0.00 O ATOM 0 H GLU A 40 3.657 -6.188 6.400 1.00 0.00 H new ATOM 0 HA GLU A 40 0.961 -6.862 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.289 -8.579 5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.507 -8.252 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.321 -9.445 8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.806 -9.374 7.156 1.00 0.00 H new ATOM 548 N ASP A 41 1.926 -7.211 8.914 1.00 0.00 N ATOM 549 CA ASP A 41 1.443 -7.282 10.283 1.00 0.00 C ATOM 550 C ASP A 41 0.714 -5.983 10.630 1.00 0.00 C ATOM 551 O ASP A 41 0.000 -5.916 11.630 1.00 0.00 O ATOM 552 CB ASP A 41 2.602 -7.452 11.268 1.00 0.00 C ATOM 553 CG ASP A 41 3.565 -8.596 10.943 1.00 0.00 C ATOM 554 OD1 ASP A 41 3.087 -9.751 10.923 1.00 0.00 O ATOM 555 OD2 ASP A 41 4.756 -8.289 10.722 1.00 0.00 O ATOM 0 H ASP A 41 2.940 -7.263 8.816 1.00 0.00 H new ATOM 0 HA ASP A 41 0.775 -8.140 10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.167 -6.521 11.305 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.191 -7.615 12.264 1.00 0.00 H new ATOM 560 N VAL A 42 0.919 -4.983 9.786 1.00 0.00 N ATOM 561 CA VAL A 42 0.289 -3.689 9.991 1.00 0.00 C ATOM 562 C VAL A 42 -1.173 -3.763 9.549 1.00 0.00 C ATOM 563 O VAL A 42 -2.081 -3.639 10.370 1.00 0.00 O ATOM 564 CB VAL A 42 1.080 -2.601 9.263 1.00 0.00 C ATOM 565 CG1 VAL A 42 0.183 -1.413 8.912 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.285 -2.152 10.091 1.00 0.00 C ATOM 0 H VAL A 42 1.512 -5.042 8.959 1.00 0.00 H new ATOM 0 HA VAL A 42 0.295 -3.424 11.048 1.00 0.00 H new ATOM 0 HB VAL A 42 1.453 -3.026 8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.770 -0.654 8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.628 -1.748 8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.234 -0.989 9.826 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.830 -1.378 9.550 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.942 -1.754 11.046 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.943 -3.003 10.267 1.00 0.00 H new ATOM 576 N PHE A 43 -1.357 -3.964 8.252 1.00 0.00 N ATOM 577 CA PHE A 43 -2.694 -4.055 7.690 1.00 0.00 C ATOM 578 C PHE A 43 -3.362 -5.376 8.078 1.00 0.00 C ATOM 579 O PHE A 43 -4.569 -5.539 7.906 1.00 0.00 O ATOM 580 CB PHE A 43 -2.545 -4.000 6.169 1.00 0.00 C ATOM 581 CG PHE A 43 -2.311 -2.593 5.617 1.00 0.00 C ATOM 582 CD1 PHE A 43 -1.064 -2.049 5.644 1.00 0.00 C ATOM 583 CD2 PHE A 43 -3.350 -1.884 5.098 1.00 0.00 C ATOM 584 CE1 PHE A 43 -0.848 -0.743 5.132 1.00 0.00 C ATOM 585 CE2 PHE A 43 -3.133 -0.578 4.586 1.00 0.00 C ATOM 586 CZ PHE A 43 -1.886 -0.035 4.614 1.00 0.00 C ATOM 0 H PHE A 43 -0.602 -4.066 7.574 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.313 -3.241 8.067 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.713 -4.638 5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.443 -4.414 5.711 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.239 -2.611 6.055 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.340 -2.315 5.076 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.142 -0.312 5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.958 -0.015 4.174 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.721 0.959 4.225 1.00 0.00 H new ATOM 596 N TYR A 44 -2.548 -6.285 8.595 1.00 0.00 N ATOM 597 CA TYR A 44 -3.046 -7.586 9.008 1.00 0.00 C ATOM 598 C TYR A 44 -4.044 -7.451 10.159 1.00 0.00 C ATOM 599 O TYR A 44 -4.920 -8.297 10.329 1.00 0.00 O ATOM 600 CB TYR A 44 -1.825 -8.368 9.497 1.00 0.00 C ATOM 601 CG TYR A 44 -2.155 -9.471 10.505 1.00 0.00 C ATOM 602 CD1 TYR A 44 -2.306 -9.161 11.842 1.00 0.00 C ATOM 603 CD2 TYR A 44 -2.302 -10.775 10.078 1.00 0.00 C ATOM 604 CE1 TYR A 44 -2.617 -10.198 12.791 1.00 0.00 C ATOM 605 CE2 TYR A 44 -2.613 -11.812 11.027 1.00 0.00 C ATOM 606 CZ TYR A 44 -2.755 -11.473 12.336 1.00 0.00 C ATOM 607 OH TYR A 44 -3.049 -12.453 13.233 1.00 0.00 O ATOM 0 H TYR A 44 -1.548 -6.146 8.737 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.557 -8.081 8.183 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.324 -8.813 8.638 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.120 -7.673 9.953 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.191 -8.140 12.176 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.184 -11.018 9.032 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.738 -9.969 13.840 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.731 -12.837 10.706 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.119 -13.312 12.767 1.00 0.00 H new ATOM 617 N LYS A 45 -3.879 -6.379 10.921 1.00 0.00 N ATOM 618 CA LYS A 45 -4.755 -6.122 12.051 1.00 0.00 C ATOM 619 C LYS A 45 -6.179 -5.886 11.544 1.00 0.00 C ATOM 620 O LYS A 45 -7.140 -6.000 12.303 1.00 0.00 O ATOM 621 CB LYS A 45 -4.208 -4.975 12.903 1.00 0.00 C ATOM 622 CG LYS A 45 -2.686 -5.064 13.030 1.00 0.00 C ATOM 623 CD LYS A 45 -2.253 -5.004 14.496 1.00 0.00 C ATOM 624 CE LYS A 45 -0.994 -4.151 14.662 1.00 0.00 C ATOM 625 NZ LYS A 45 -1.332 -2.711 14.603 1.00 0.00 N ATOM 0 H LYS A 45 -3.151 -5.679 10.778 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.790 -6.989 12.710 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.484 -4.021 12.455 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.662 -5.005 13.894 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.334 -5.993 12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.223 -4.247 12.477 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.060 -4.589 15.100 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.065 -6.012 14.865 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.516 -4.380 15.614 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.277 -4.395 13.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.701 -2.234 13.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.319 -2.598 14.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.214 -2.288 15.546 1.00 0.00 H new ATOM 639 N TYR A 46 -6.270 -5.560 10.263 1.00 0.00 N ATOM 640 CA TYR A 46 -7.561 -5.307 9.645 1.00 0.00 C ATOM 641 C TYR A 46 -8.057 -6.539 8.885 1.00 0.00 C ATOM 642 O TYR A 46 -8.817 -6.417 7.926 1.00 0.00 O ATOM 643 CB TYR A 46 -7.336 -4.166 8.651 1.00 0.00 C ATOM 644 CG TYR A 46 -7.304 -2.777 9.293 1.00 0.00 C ATOM 645 CD1 TYR A 46 -8.478 -2.180 9.704 1.00 0.00 C ATOM 646 CD2 TYR A 46 -6.101 -2.123 9.462 1.00 0.00 C ATOM 647 CE1 TYR A 46 -8.448 -0.874 10.309 1.00 0.00 C ATOM 648 CE2 TYR A 46 -6.071 -0.816 10.067 1.00 0.00 C ATOM 649 CZ TYR A 46 -7.246 -0.256 10.461 1.00 0.00 C ATOM 650 OH TYR A 46 -7.218 0.978 11.032 1.00 0.00 O ATOM 0 H TYR A 46 -5.471 -5.465 9.636 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.307 -5.062 10.401 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.395 -4.335 8.127 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.127 -4.190 7.901 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.419 -2.692 9.572 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.182 -2.591 9.141 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.360 -0.396 10.635 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.136 -0.293 10.205 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.292 1.297 11.077 1.00 0.00 H new ATOM 660 N GLY A 47 -7.606 -7.697 9.343 1.00 0.00 N ATOM 661 CA GLY A 47 -7.994 -8.951 8.718 1.00 0.00 C ATOM 662 C GLY A 47 -6.764 -9.756 8.294 1.00 0.00 C ATOM 663 O GLY A 47 -5.984 -10.196 9.138 1.00 0.00 O ATOM 0 H GLY A 47 -6.976 -7.794 10.139 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.595 -9.537 9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.619 -8.750 7.848 1.00 0.00 H new ATOM 667 N ALA A 48 -6.628 -9.924 6.987 1.00 0.00 N ATOM 668 CA ALA A 48 -5.506 -10.669 6.441 1.00 0.00 C ATOM 669 C ALA A 48 -5.112 -10.070 5.089 1.00 0.00 C ATOM 670 O ALA A 48 -5.836 -9.244 4.537 1.00 0.00 O ATOM 671 CB ALA A 48 -5.877 -12.149 6.337 1.00 0.00 C ATOM 0 H ALA A 48 -7.276 -9.557 6.290 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.640 -10.596 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.035 -12.707 5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.120 -12.534 7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.741 -12.262 5.682 1.00 0.00 H new ATOM 677 N ILE A 49 -3.964 -10.511 4.595 1.00 0.00 N ATOM 678 CA ILE A 49 -3.465 -10.029 3.318 1.00 0.00 C ATOM 679 C ILE A 49 -3.301 -11.211 2.361 1.00 0.00 C ATOM 680 O ILE A 49 -2.961 -12.315 2.784 1.00 0.00 O ATOM 681 CB ILE A 49 -2.184 -9.216 3.516 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.424 -8.037 4.461 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.608 -8.766 2.172 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.211 -7.801 5.363 1.00 0.00 C ATOM 0 H ILE A 49 -3.366 -11.196 5.056 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.182 -9.346 2.862 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.440 -9.859 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.631 -7.138 3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.305 -8.231 5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.698 -8.190 2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.376 -9.641 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.339 -8.146 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.408 -6.958 6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.022 -8.694 5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.337 -7.584 4.748 1.00 0.00 H new ATOM 696 N ARG A 50 -3.550 -10.940 1.088 1.00 0.00 N ATOM 697 CA ARG A 50 -3.434 -11.967 0.067 1.00 0.00 C ATOM 698 C ARG A 50 -2.027 -11.963 -0.533 1.00 0.00 C ATOM 699 O ARG A 50 -1.437 -13.021 -0.749 1.00 0.00 O ATOM 700 CB ARG A 50 -4.458 -11.752 -1.050 1.00 0.00 C ATOM 701 CG ARG A 50 -4.212 -12.715 -2.212 1.00 0.00 C ATOM 702 CD ARG A 50 -5.528 -13.306 -2.722 1.00 0.00 C ATOM 703 NE ARG A 50 -5.351 -14.742 -3.035 1.00 0.00 N ATOM 704 CZ ARG A 50 -4.679 -15.201 -4.099 1.00 0.00 C ATOM 705 NH1 ARG A 50 -4.117 -14.341 -4.959 1.00 0.00 N ATOM 706 NH2 ARG A 50 -4.569 -16.521 -4.304 1.00 0.00 N ATOM 0 H ARG A 50 -3.832 -10.023 0.740 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.627 -12.929 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.465 -11.899 -0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.401 -10.724 -1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.706 -12.191 -3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.549 -13.518 -1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.307 -13.183 -1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.856 -12.769 -3.612 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.767 -15.424 -2.401 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.201 -13.336 -4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.605 -14.691 -5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.997 -17.176 -3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.057 -16.870 -5.114 1.00 0.00 H new ATOM 720 N ASP A 51 -1.529 -10.761 -0.784 1.00 0.00 N ATOM 721 CA ASP A 51 -0.201 -10.606 -1.355 1.00 0.00 C ATOM 722 C ASP A 51 0.198 -9.130 -1.311 1.00 0.00 C ATOM 723 O ASP A 51 -0.646 -8.250 -1.477 1.00 0.00 O ATOM 724 CB ASP A 51 -0.173 -11.061 -2.815 1.00 0.00 C ATOM 725 CG ASP A 51 1.223 -11.324 -3.384 1.00 0.00 C ATOM 726 OD1 ASP A 51 2.120 -11.629 -2.568 1.00 0.00 O ATOM 727 OD2 ASP A 51 1.362 -11.213 -4.621 1.00 0.00 O ATOM 0 H ASP A 51 -2.021 -9.886 -0.603 1.00 0.00 H new ATOM 0 HA ASP A 51 0.490 -11.217 -0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.764 -11.972 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.661 -10.301 -3.426 1.00 0.00 H new ATOM 732 N ILE A 52 1.484 -8.904 -1.088 1.00 0.00 N ATOM 733 CA ILE A 52 2.005 -7.549 -1.021 1.00 0.00 C ATOM 734 C ILE A 52 3.113 -7.381 -2.063 1.00 0.00 C ATOM 735 O ILE A 52 4.034 -8.194 -2.132 1.00 0.00 O ATOM 736 CB ILE A 52 2.447 -7.215 0.405 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.293 -7.395 1.393 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.051 -5.811 0.478 1.00 0.00 C ATOM 739 CD1 ILE A 52 1.805 -7.876 2.753 1.00 0.00 C ATOM 0 H ILE A 52 2.181 -9.636 -0.951 1.00 0.00 H new ATOM 0 HA ILE A 52 1.225 -6.828 -1.266 1.00 0.00 H new ATOM 0 HB ILE A 52 3.230 -7.917 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.762 -6.451 1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.577 -8.114 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.357 -5.599 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.919 -5.754 -0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.308 -5.078 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.964 -7.996 3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.314 -8.832 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.502 -7.143 3.160 1.00 0.00 H new ATOM 751 N ASP A 53 2.987 -6.321 -2.848 1.00 0.00 N ATOM 752 CA ASP A 53 3.966 -6.036 -3.883 1.00 0.00 C ATOM 753 C ASP A 53 4.662 -4.711 -3.570 1.00 0.00 C ATOM 754 O ASP A 53 4.030 -3.655 -3.584 1.00 0.00 O ATOM 755 CB ASP A 53 3.297 -5.907 -5.253 1.00 0.00 C ATOM 756 CG ASP A 53 3.901 -6.781 -6.353 1.00 0.00 C ATOM 757 OD1 ASP A 53 5.135 -6.695 -6.533 1.00 0.00 O ATOM 758 OD2 ASP A 53 3.116 -7.516 -6.990 1.00 0.00 O ATOM 0 H ASP A 53 2.222 -5.649 -2.788 1.00 0.00 H new ATOM 0 HA ASP A 53 4.681 -6.859 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.241 -6.157 -5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.348 -4.865 -5.569 1.00 0.00 H new ATOM 763 N LEU A 54 5.955 -4.808 -3.295 1.00 0.00 N ATOM 764 CA LEU A 54 6.743 -3.630 -2.979 1.00 0.00 C ATOM 765 C LEU A 54 7.822 -3.441 -4.048 1.00 0.00 C ATOM 766 O LEU A 54 8.625 -4.340 -4.289 1.00 0.00 O ATOM 767 CB LEU A 54 7.298 -3.722 -1.556 1.00 0.00 C ATOM 768 CG LEU A 54 8.448 -2.770 -1.221 1.00 0.00 C ATOM 769 CD1 LEU A 54 7.960 -1.600 -0.364 1.00 0.00 C ATOM 770 CD2 LEU A 54 9.606 -3.521 -0.560 1.00 0.00 C ATOM 0 H LEU A 54 6.476 -5.685 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 54 6.117 -2.738 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.483 -3.535 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.637 -4.744 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 54 8.826 -2.350 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.797 -0.939 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.195 -1.046 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.540 -1.981 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.410 -2.822 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.258 -3.987 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.975 -4.290 -1.238 1.00 0.00 H new ATOM 782 N LYS A 55 7.805 -2.266 -4.659 1.00 0.00 N ATOM 783 CA LYS A 55 8.771 -1.947 -5.696 1.00 0.00 C ATOM 784 C LYS A 55 10.124 -1.641 -5.050 1.00 0.00 C ATOM 785 O LYS A 55 11.039 -2.461 -5.100 1.00 0.00 O ATOM 786 CB LYS A 55 8.247 -0.822 -6.590 1.00 0.00 C ATOM 787 CG LYS A 55 7.380 -1.378 -7.721 1.00 0.00 C ATOM 788 CD LYS A 55 6.038 -1.882 -7.187 1.00 0.00 C ATOM 789 CE LYS A 55 4.973 -1.875 -8.285 1.00 0.00 C ATOM 790 NZ LYS A 55 4.142 -3.098 -8.209 1.00 0.00 N ATOM 0 H LYS A 55 7.137 -1.523 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 55 8.918 -2.803 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.665 -0.120 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.085 -0.266 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.210 -0.603 -8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.906 -2.192 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.155 -2.892 -6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.714 -1.254 -6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.342 -0.992 -8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.451 -1.813 -9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.424 -3.077 -8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.746 -3.936 -8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.671 -3.141 -7.283 1.00 0.00 H new ATOM 880 N PRO A 61 9.950 7.979 -2.912 1.00 0.00 N ATOM 881 CA PRO A 61 9.965 7.065 -1.782 1.00 0.00 C ATOM 882 C PRO A 61 9.534 5.660 -2.208 1.00 0.00 C ATOM 883 O PRO A 61 9.101 5.457 -3.341 1.00 0.00 O ATOM 884 CB PRO A 61 9.029 7.689 -0.759 1.00 0.00 C ATOM 885 CG PRO A 61 8.170 8.679 -1.529 1.00 0.00 C ATOM 886 CD PRO A 61 8.814 8.896 -2.889 1.00 0.00 C ATOM 0 HA PRO A 61 10.962 6.932 -1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.413 6.929 -0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.590 8.190 0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.156 8.296 -1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.095 9.622 -0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.115 8.681 -3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.137 9.930 -3.014 1.00 0.00 H new ATOM 894 N PRO A 62 9.672 4.703 -1.252 1.00 0.00 N ATOM 895 CA PRO A 62 9.302 3.323 -1.517 1.00 0.00 C ATOM 896 C PRO A 62 7.782 3.153 -1.517 1.00 0.00 C ATOM 897 O PRO A 62 7.096 3.671 -0.638 1.00 0.00 O ATOM 898 CB PRO A 62 9.990 2.515 -0.428 1.00 0.00 C ATOM 899 CG PRO A 62 10.335 3.507 0.671 1.00 0.00 C ATOM 900 CD PRO A 62 10.182 4.907 0.100 1.00 0.00 C ATOM 0 HA PRO A 62 9.617 2.985 -2.504 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.336 1.728 -0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.887 2.028 -0.810 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.677 3.371 1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.354 3.348 1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.493 5.505 0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.135 5.436 0.088 1.00 0.00 H new ATOM 908 N PHE A 63 7.300 2.424 -2.513 1.00 0.00 N ATOM 909 CA PHE A 63 5.873 2.179 -2.639 1.00 0.00 C ATOM 910 C PHE A 63 5.585 0.685 -2.800 1.00 0.00 C ATOM 911 O PHE A 63 6.418 -0.059 -3.315 1.00 0.00 O ATOM 912 CB PHE A 63 5.402 2.915 -3.895 1.00 0.00 C ATOM 913 CG PHE A 63 6.264 2.650 -5.131 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.530 3.142 -5.195 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.764 1.923 -6.166 1.00 0.00 C ATOM 916 CE1 PHE A 63 8.330 2.896 -6.343 1.00 0.00 C ATOM 917 CE2 PHE A 63 6.563 1.678 -7.313 1.00 0.00 C ATOM 918 CZ PHE A 63 7.830 2.169 -7.378 1.00 0.00 C ATOM 0 H PHE A 63 7.872 1.995 -3.240 1.00 0.00 H new ATOM 0 HA PHE A 63 5.356 2.527 -1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.375 2.622 -4.112 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.393 3.986 -3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.927 3.720 -4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.759 1.532 -6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.336 3.286 -6.394 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.165 1.101 -8.135 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.438 1.982 -8.251 1.00 0.00 H new ATOM 928 N ALA A 64 4.403 0.291 -2.349 1.00 0.00 N ATOM 929 CA ALA A 64 3.995 -1.101 -2.436 1.00 0.00 C ATOM 930 C ALA A 64 2.468 -1.182 -2.411 1.00 0.00 C ATOM 931 O ALA A 64 1.801 -0.257 -1.952 1.00 0.00 O ATOM 932 CB ALA A 64 4.641 -1.894 -1.298 1.00 0.00 C ATOM 0 H ALA A 64 3.715 0.911 -1.922 1.00 0.00 H new ATOM 0 HA ALA A 64 4.333 -1.543 -3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.335 -2.938 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.726 -1.828 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.323 -1.482 -0.341 1.00 0.00 H new ATOM 938 N PHE A 65 1.958 -2.299 -2.911 1.00 0.00 N ATOM 939 CA PHE A 65 0.522 -2.513 -2.952 1.00 0.00 C ATOM 940 C PHE A 65 0.119 -3.697 -2.070 1.00 0.00 C ATOM 941 O PHE A 65 0.777 -4.736 -2.082 1.00 0.00 O ATOM 942 CB PHE A 65 0.157 -2.827 -4.404 1.00 0.00 C ATOM 943 CG PHE A 65 0.483 -1.699 -5.385 1.00 0.00 C ATOM 944 CD1 PHE A 65 1.777 -1.418 -5.694 1.00 0.00 C ATOM 945 CD2 PHE A 65 -0.523 -0.976 -5.948 1.00 0.00 C ATOM 946 CE1 PHE A 65 2.079 -0.371 -6.604 1.00 0.00 C ATOM 947 CE2 PHE A 65 -0.221 0.071 -6.858 1.00 0.00 C ATOM 948 CZ PHE A 65 1.073 0.351 -7.167 1.00 0.00 C ATOM 0 H PHE A 65 2.514 -3.065 -3.291 1.00 0.00 H new ATOM 0 HA PHE A 65 0.004 -1.627 -2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.686 -3.728 -4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.909 -3.047 -4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.575 -1.992 -5.247 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.551 -1.199 -5.703 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.107 -0.148 -6.849 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.019 0.645 -7.305 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.302 1.147 -7.860 1.00 0.00 H new ATOM 958 N VAL A 66 -0.960 -3.500 -1.326 1.00 0.00 N ATOM 959 CA VAL A 66 -1.458 -4.538 -0.440 1.00 0.00 C ATOM 960 C VAL A 66 -2.795 -5.058 -0.972 1.00 0.00 C ATOM 961 O VAL A 66 -3.734 -4.286 -1.160 1.00 0.00 O ATOM 962 CB VAL A 66 -1.550 -4.005 0.991 1.00 0.00 C ATOM 963 CG1 VAL A 66 -1.931 -5.120 1.967 1.00 0.00 C ATOM 964 CG2 VAL A 66 -0.241 -3.332 1.410 1.00 0.00 C ATOM 0 H VAL A 66 -1.503 -2.637 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.768 -5.382 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.337 -3.252 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.990 -4.715 2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.899 -5.535 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.176 -5.906 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.333 -2.962 2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.573 -4.055 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.029 -2.499 0.740 1.00 0.00 H new ATOM 974 N GLU A 67 -2.839 -6.362 -1.199 1.00 0.00 N ATOM 975 CA GLU A 67 -4.045 -6.994 -1.705 1.00 0.00 C ATOM 976 C GLU A 67 -4.777 -7.722 -0.576 1.00 0.00 C ATOM 977 O GLU A 67 -4.310 -8.751 -0.090 1.00 0.00 O ATOM 978 CB GLU A 67 -3.723 -7.950 -2.855 1.00 0.00 C ATOM 979 CG GLU A 67 -4.959 -8.203 -3.721 1.00 0.00 C ATOM 980 CD GLU A 67 -4.721 -7.749 -5.162 1.00 0.00 C ATOM 981 OE1 GLU A 67 -4.149 -6.650 -5.324 1.00 0.00 O ATOM 982 OE2 GLU A 67 -5.118 -8.511 -6.070 1.00 0.00 O ATOM 0 H GLU A 67 -2.058 -6.999 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.702 -6.217 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.925 -7.531 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.355 -8.895 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.206 -9.264 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.814 -7.671 -3.305 1.00 0.00 H new ATOM 989 N PHE A 68 -5.913 -7.159 -0.190 1.00 0.00 N ATOM 990 CA PHE A 68 -6.714 -7.742 0.873 1.00 0.00 C ATOM 991 C PHE A 68 -7.605 -8.864 0.336 1.00 0.00 C ATOM 992 O PHE A 68 -7.729 -9.037 -0.875 1.00 0.00 O ATOM 993 CB PHE A 68 -7.599 -6.625 1.429 1.00 0.00 C ATOM 994 CG PHE A 68 -6.979 -5.865 2.603 1.00 0.00 C ATOM 995 CD1 PHE A 68 -7.030 -6.390 3.856 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.375 -4.664 2.392 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.453 -5.684 4.946 1.00 0.00 C ATOM 998 CE2 PHE A 68 -5.799 -3.959 3.481 1.00 0.00 C ATOM 999 CZ PHE A 68 -5.850 -4.483 4.735 1.00 0.00 C ATOM 0 H PHE A 68 -6.298 -6.305 -0.595 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.065 -8.166 1.639 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.820 -5.919 0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.549 -7.053 1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.509 -7.343 4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.334 -4.247 1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.493 -6.101 5.942 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.320 -3.006 3.314 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.412 -3.946 5.563 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.203 -9.597 1.264 1.00 0.00 N ATOM 1010 CA GLU A 69 -9.079 -10.697 0.899 1.00 0.00 C ATOM 1011 C GLU A 69 -10.472 -10.172 0.545 1.00 0.00 C ATOM 1012 O GLU A 69 -11.128 -10.698 -0.352 1.00 0.00 O ATOM 1013 CB GLU A 69 -9.153 -11.734 2.021 1.00 0.00 C ATOM 1014 CG GLU A 69 -7.844 -12.519 2.130 1.00 0.00 C ATOM 1015 CD GLU A 69 -7.769 -13.610 1.059 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -8.842 -14.164 0.737 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -6.640 -13.864 0.587 1.00 0.00 O ATOM 0 H GLU A 69 -8.098 -9.450 2.268 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.664 -11.190 0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.362 -11.236 2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.978 -12.421 1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.998 -11.840 2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.767 -12.970 3.120 1.00 0.00 H new ATOM 1024 N ASP A 70 -10.882 -9.140 1.269 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.185 -8.538 1.043 1.00 0.00 C ATOM 1026 C ASP A 70 -12.014 -7.035 0.816 1.00 0.00 C ATOM 1027 O ASP A 70 -11.076 -6.428 1.329 1.00 0.00 O ATOM 1028 CB ASP A 70 -13.099 -8.733 2.254 1.00 0.00 C ATOM 1029 CG ASP A 70 -13.639 -10.153 2.436 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -12.968 -11.083 1.939 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -14.711 -10.276 3.067 1.00 0.00 O ATOM 0 H ASP A 70 -10.335 -8.706 2.012 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.633 -9.018 0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.551 -8.451 3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.943 -8.048 2.167 1.00 0.00 H new ATOM 1036 N PRO A 71 -12.961 -6.462 0.025 1.00 0.00 N ATOM 1037 CA PRO A 71 -12.925 -5.041 -0.276 1.00 0.00 C ATOM 1038 C PRO A 71 -13.380 -4.213 0.928 1.00 0.00 C ATOM 1039 O PRO A 71 -12.744 -3.220 1.278 1.00 0.00 O ATOM 1040 CB PRO A 71 -13.827 -4.873 -1.488 1.00 0.00 C ATOM 1041 CG PRO A 71 -14.697 -6.118 -1.536 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.087 -7.149 -0.600 1.00 0.00 C ATOM 0 HA PRO A 71 -11.919 -4.682 -0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.437 -3.974 -1.399 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.240 -4.771 -2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.717 -5.883 -1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.749 -6.508 -2.552 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.809 -7.484 0.145 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -13.758 -8.033 -1.146 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.476 -4.653 1.527 1.00 0.00 N ATOM 1051 CA ARG A 72 -15.024 -3.965 2.684 1.00 0.00 C ATOM 1052 C ARG A 72 -13.923 -3.700 3.714 1.00 0.00 C ATOM 1053 O ARG A 72 -13.950 -2.686 4.409 1.00 0.00 O ATOM 1054 CB ARG A 72 -16.137 -4.786 3.338 1.00 0.00 C ATOM 1055 CG ARG A 72 -17.382 -4.827 2.450 1.00 0.00 C ATOM 1056 CD ARG A 72 -18.627 -5.177 3.267 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.763 -5.462 2.362 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.865 -6.130 2.727 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -20.987 -6.587 3.981 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.846 -6.343 1.839 1.00 0.00 N ATOM 0 H ARG A 72 -15.000 -5.477 1.233 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.441 -3.019 2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.784 -5.801 3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.391 -4.355 4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.520 -3.860 1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.244 -5.563 1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.427 -6.044 3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.880 -4.351 3.932 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.703 -5.129 1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.241 -6.426 4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.826 -7.096 4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.754 -5.996 0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.685 -6.852 2.118 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.981 -4.630 3.779 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.874 -4.509 4.711 1.00 0.00 C ATOM 1076 C ASP A 73 -10.775 -3.650 4.083 1.00 0.00 C ATOM 1077 O ASP A 73 -10.288 -2.707 4.705 1.00 0.00 O ATOM 1078 CB ASP A 73 -11.275 -5.880 5.036 1.00 0.00 C ATOM 1079 CG ASP A 73 -12.060 -6.702 6.060 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -13.283 -6.464 6.162 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -11.419 -7.549 6.718 1.00 0.00 O ATOM 0 H ASP A 73 -12.962 -5.470 3.201 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.253 -4.054 5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.199 -6.455 4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.260 -5.738 5.408 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.416 -4.007 2.859 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.383 -3.280 2.140 1.00 0.00 C ATOM 1088 C ALA A 74 -9.629 -1.777 2.284 1.00 0.00 C ATOM 1089 O ALA A 74 -8.684 -0.992 2.337 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.366 -3.731 0.678 1.00 0.00 C ATOM 0 H ALA A 74 -10.822 -4.790 2.347 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.400 -3.494 2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.592 -3.186 0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.159 -4.800 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.336 -3.529 0.223 1.00 0.00 H new ATOM 1096 N GLU A 75 -10.904 -1.421 2.343 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.286 -0.026 2.480 1.00 0.00 C ATOM 1098 C GLU A 75 -11.180 0.412 3.942 1.00 0.00 C ATOM 1099 O GLU A 75 -10.669 1.492 4.235 1.00 0.00 O ATOM 1100 CB GLU A 75 -12.697 0.212 1.938 1.00 0.00 C ATOM 1101 CG GLU A 75 -12.792 -0.186 0.463 1.00 0.00 C ATOM 1102 CD GLU A 75 -14.238 -0.491 0.070 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -14.985 -0.948 0.962 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -14.565 -0.261 -1.115 1.00 0.00 O ATOM 0 H GLU A 75 -11.686 -2.075 2.298 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.598 0.578 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.416 -0.364 2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.962 1.263 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.404 0.620 -0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.169 -1.061 0.278 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.671 -0.449 4.822 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.637 -0.164 6.246 1.00 0.00 C ATOM 1113 C ASP A 76 -10.194 0.112 6.673 1.00 0.00 C ATOM 1114 O ASP A 76 -9.954 0.895 7.591 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.151 -1.355 7.059 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.661 -1.369 7.301 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.359 -0.627 6.576 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -14.084 -2.121 8.205 1.00 0.00 O ATOM 0 H ASP A 76 -12.094 -1.344 4.576 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.274 0.701 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.872 -2.274 6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.644 -1.363 8.024 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.272 -0.546 5.987 1.00 0.00 N ATOM 1124 CA ALA A 77 -7.859 -0.381 6.283 1.00 0.00 C ATOM 1125 C ALA A 77 -7.404 1.007 5.825 1.00 0.00 C ATOM 1126 O ALA A 77 -6.998 1.832 6.641 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.063 -1.505 5.617 1.00 0.00 C ATOM 0 H ALA A 77 -9.476 -1.195 5.227 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.682 -0.448 7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.003 -1.381 5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.404 -2.468 5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.214 -1.468 4.538 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.488 1.220 4.520 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.091 2.493 3.943 1.00 0.00 C ATOM 1135 C VAL A 78 -7.866 3.622 4.625 1.00 0.00 C ATOM 1136 O VAL A 78 -7.344 4.722 4.799 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.287 2.464 2.426 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -8.698 2.920 2.047 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.228 3.313 1.720 1.00 0.00 C ATOM 0 H VAL A 78 -7.825 0.533 3.846 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.031 2.676 4.117 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.167 1.433 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.811 2.890 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.431 2.257 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.859 3.938 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.390 3.275 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.302 4.345 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.236 2.924 1.951 1.00 0.00 H new ATOM 1149 N TYR A 79 -9.100 3.310 4.994 1.00 0.00 N ATOM 1150 CA TYR A 79 -9.953 4.284 5.653 1.00 0.00 C ATOM 1151 C TYR A 79 -9.306 4.797 6.941 1.00 0.00 C ATOM 1152 O TYR A 79 -9.694 5.842 7.461 1.00 0.00 O ATOM 1153 CB TYR A 79 -11.245 3.544 6.005 1.00 0.00 C ATOM 1154 CG TYR A 79 -12.337 3.657 4.940 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -11.994 3.766 3.608 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -13.667 3.652 5.311 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -13.022 3.872 2.605 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -14.695 3.758 4.309 1.00 0.00 C ATOM 1159 CZ TYR A 79 -14.322 3.863 3.005 1.00 0.00 C ATOM 1160 OH TYR A 79 -15.293 3.964 2.058 1.00 0.00 O ATOM 0 H TYR A 79 -9.529 2.396 4.849 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.127 5.143 5.005 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.016 2.490 6.165 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.629 3.934 6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.954 3.772 3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.936 3.569 6.354 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.767 3.957 1.559 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.739 3.754 4.586 1.00 0.00 H new ATOM 0 HH TYR A 79 -16.173 3.943 2.488 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.331 4.038 7.418 1.00 0.00 N ATOM 1171 CA GLY A 80 -7.626 4.402 8.635 1.00 0.00 C ATOM 1172 C GLY A 80 -6.128 4.573 8.372 1.00 0.00 C ATOM 1173 O GLY A 80 -5.593 5.673 8.501 1.00 0.00 O ATOM 0 H GLY A 80 -8.012 3.172 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.037 5.330 9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.780 3.633 9.392 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.495 3.468 8.007 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.070 3.481 7.724 1.00 0.00 C ATOM 1179 C ARG A 81 -3.692 4.751 6.959 1.00 0.00 C ATOM 1180 O ARG A 81 -2.583 5.262 7.106 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.660 2.258 6.902 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.782 0.976 7.728 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.687 0.905 8.795 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.892 -0.284 9.652 1.00 0.00 N ATOM 1185 CZ ARG A 81 -2.422 -0.399 10.902 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -1.718 0.602 11.447 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -2.656 -1.515 11.605 1.00 0.00 N ATOM 0 H ARG A 81 -5.943 2.558 7.901 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.543 3.457 8.678 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.289 2.184 6.015 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.633 2.376 6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.762 0.938 8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.712 0.108 7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.707 0.856 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.702 1.809 9.404 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.424 -1.065 9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.540 1.451 10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.360 0.515 12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.192 -2.277 11.189 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.298 -1.603 12.556 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.636 5.224 6.158 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.417 6.425 5.370 1.00 0.00 C ATOM 1203 C ASP A 82 -4.195 7.613 6.308 1.00 0.00 C ATOM 1204 O ASP A 82 -5.153 8.245 6.751 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.629 6.736 4.491 1.00 0.00 C ATOM 1206 CG ASP A 82 -5.528 8.032 3.684 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -4.398 8.342 3.248 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -6.582 8.683 3.522 1.00 0.00 O ATOM 0 H ASP A 82 -5.554 4.797 6.038 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.546 6.258 4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.780 5.907 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.514 6.788 5.125 1.00 0.00 H new ATOM 1213 N GLY A 83 -2.927 7.880 6.584 1.00 0.00 N ATOM 1214 CA GLY A 83 -2.568 8.980 7.462 1.00 0.00 C ATOM 1215 C GLY A 83 -1.936 8.466 8.757 1.00 0.00 C ATOM 1216 O GLY A 83 -1.913 9.171 9.764 1.00 0.00 O ATOM 0 H GLY A 83 -2.135 7.353 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.870 9.644 6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.456 9.568 7.695 1.00 0.00 H new ATOM 1220 N TYR A 84 -1.437 7.240 8.687 1.00 0.00 N ATOM 1221 CA TYR A 84 -0.806 6.623 9.841 1.00 0.00 C ATOM 1222 C TYR A 84 0.651 7.071 9.975 1.00 0.00 C ATOM 1223 O TYR A 84 1.287 7.429 8.985 1.00 0.00 O ATOM 1224 CB TYR A 84 -0.841 5.115 9.585 1.00 0.00 C ATOM 1225 CG TYR A 84 -0.152 4.283 10.668 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -0.411 4.535 12.000 1.00 0.00 C ATOM 1227 CD2 TYR A 84 0.728 3.281 10.314 1.00 0.00 C ATOM 1228 CE1 TYR A 84 0.237 3.752 13.021 1.00 0.00 C ATOM 1229 CE2 TYR A 84 1.376 2.498 11.334 1.00 0.00 C ATOM 1230 CZ TYR A 84 1.098 2.772 12.637 1.00 0.00 C ATOM 1231 OH TYR A 84 1.711 2.032 13.600 1.00 0.00 O ATOM 0 H TYR A 84 -1.457 6.658 7.849 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.325 6.904 10.757 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.880 4.795 9.502 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.366 4.909 8.626 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.100 5.319 12.277 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.931 3.084 9.272 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.043 3.939 14.067 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.067 1.711 11.070 1.00 0.00 H new ATOM 0 HH TYR A 84 2.297 1.369 13.179 1.00 0.00 H new ATOM 1241 N ASP A 85 1.137 7.037 11.207 1.00 0.00 N ATOM 1242 CA ASP A 85 2.506 7.436 11.483 1.00 0.00 C ATOM 1243 C ASP A 85 3.295 6.224 11.982 1.00 0.00 C ATOM 1244 O ASP A 85 3.030 5.710 13.067 1.00 0.00 O ATOM 1245 CB ASP A 85 2.559 8.513 12.568 1.00 0.00 C ATOM 1246 CG ASP A 85 3.966 8.959 12.969 1.00 0.00 C ATOM 1247 OD1 ASP A 85 4.778 8.062 13.282 1.00 0.00 O ATOM 1248 OD2 ASP A 85 4.198 10.188 12.954 1.00 0.00 O ATOM 0 H ASP A 85 0.607 6.739 12.026 1.00 0.00 H new ATOM 0 HA ASP A 85 2.933 7.831 10.562 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.003 9.384 12.221 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.046 8.140 13.454 1.00 0.00 H new ATOM 1253 N TYR A 86 4.249 5.802 11.165 1.00 0.00 N ATOM 1254 CA TYR A 86 5.078 4.660 11.509 1.00 0.00 C ATOM 1255 C TYR A 86 6.558 5.046 11.543 1.00 0.00 C ATOM 1256 O TYR A 86 7.072 5.633 10.591 1.00 0.00 O ATOM 1257 CB TYR A 86 4.858 3.628 10.401 1.00 0.00 C ATOM 1258 CG TYR A 86 5.762 2.399 10.506 1.00 0.00 C ATOM 1259 CD1 TYR A 86 7.074 2.469 10.085 1.00 0.00 C ATOM 1260 CD2 TYR A 86 5.265 1.219 11.022 1.00 0.00 C ATOM 1261 CE1 TYR A 86 7.925 1.311 10.184 1.00 0.00 C ATOM 1262 CE2 TYR A 86 6.116 0.062 11.121 1.00 0.00 C ATOM 1263 CZ TYR A 86 7.404 0.165 10.697 1.00 0.00 C ATOM 1264 OH TYR A 86 8.208 -0.928 10.791 1.00 0.00 O ATOM 0 H TYR A 86 4.466 6.231 10.265 1.00 0.00 H new ATOM 0 HA TYR A 86 4.813 4.278 12.495 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.818 3.304 10.422 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.023 4.106 9.435 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.463 3.392 9.681 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.238 1.164 11.351 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.954 1.352 9.858 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.740 -0.867 11.523 1.00 0.00 H new ATOM 0 HH TYR A 86 7.702 -1.674 11.177 1.00 0.00 H new ATOM 1274 N ASP A 87 7.202 4.702 12.648 1.00 0.00 N ATOM 1275 CA ASP A 87 8.613 5.006 12.818 1.00 0.00 C ATOM 1276 C ASP A 87 8.810 6.523 12.791 1.00 0.00 C ATOM 1277 O ASP A 87 9.912 7.005 12.534 1.00 0.00 O ATOM 1278 CB ASP A 87 9.447 4.401 11.686 1.00 0.00 C ATOM 1279 CG ASP A 87 10.956 4.381 11.935 1.00 0.00 C ATOM 1280 OD1 ASP A 87 11.405 3.442 12.628 1.00 0.00 O ATOM 1281 OD2 ASP A 87 11.628 5.305 11.427 1.00 0.00 O ATOM 0 H ASP A 87 6.773 4.215 13.435 1.00 0.00 H new ATOM 0 HA ASP A 87 8.937 4.585 13.770 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.109 3.379 11.512 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.252 4.961 10.772 1.00 0.00 H new ATOM 1286 N GLY A 88 7.725 7.234 13.062 1.00 0.00 N ATOM 1287 CA GLY A 88 7.765 8.686 13.072 1.00 0.00 C ATOM 1288 C GLY A 88 7.447 9.253 11.687 1.00 0.00 C ATOM 1289 O GLY A 88 7.140 10.437 11.553 1.00 0.00 O ATOM 0 H GLY A 88 6.813 6.831 13.276 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.048 9.068 13.799 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.751 9.024 13.390 1.00 0.00 H new ATOM 1293 N TYR A 89 7.533 8.382 10.692 1.00 0.00 N ATOM 1294 CA TYR A 89 7.258 8.781 9.323 1.00 0.00 C ATOM 1295 C TYR A 89 5.778 8.595 8.983 1.00 0.00 C ATOM 1296 O TYR A 89 5.178 7.583 9.343 1.00 0.00 O ATOM 1297 CB TYR A 89 8.093 7.854 8.438 1.00 0.00 C ATOM 1298 CG TYR A 89 9.357 8.505 7.872 1.00 0.00 C ATOM 1299 CD1 TYR A 89 9.294 9.767 7.317 1.00 0.00 C ATOM 1300 CD2 TYR A 89 10.560 7.830 7.916 1.00 0.00 C ATOM 1301 CE1 TYR A 89 10.483 10.379 6.784 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.749 8.442 7.383 1.00 0.00 C ATOM 1303 CZ TYR A 89 11.652 9.687 6.844 1.00 0.00 C ATOM 1304 OH TYR A 89 12.775 10.265 6.340 1.00 0.00 O ATOM 0 H TYR A 89 7.789 7.401 10.807 1.00 0.00 H new ATOM 0 HA TYR A 89 7.502 9.833 9.174 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.377 6.975 9.017 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.475 7.505 7.611 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.353 10.295 7.283 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.609 6.842 8.350 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.447 11.366 6.346 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.696 7.924 7.410 1.00 0.00 H new ATOM 0 HH TYR A 89 13.535 9.656 6.452 1.00 0.00 H new ATOM 1314 N ARG A 90 5.232 9.586 8.294 1.00 0.00 N ATOM 1315 CA ARG A 90 3.834 9.544 7.902 1.00 0.00 C ATOM 1316 C ARG A 90 3.655 8.656 6.668 1.00 0.00 C ATOM 1317 O ARG A 90 4.505 8.643 5.780 1.00 0.00 O ATOM 1318 CB ARG A 90 3.306 10.946 7.593 1.00 0.00 C ATOM 1319 CG ARG A 90 4.160 11.631 6.525 1.00 0.00 C ATOM 1320 CD ARG A 90 4.842 12.880 7.086 1.00 0.00 C ATOM 1321 NE ARG A 90 5.682 13.511 6.043 1.00 0.00 N ATOM 1322 CZ ARG A 90 6.481 14.565 6.257 1.00 0.00 C ATOM 1323 NH1 ARG A 90 6.554 15.113 7.478 1.00 0.00 N ATOM 1324 NH2 ARG A 90 7.207 15.071 5.251 1.00 0.00 N ATOM 0 H ARG A 90 5.733 10.423 7.997 1.00 0.00 H new ATOM 0 HA ARG A 90 3.268 9.131 8.737 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.273 10.882 7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.305 11.546 8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.914 10.936 6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.535 11.904 5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.091 13.588 7.437 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.456 12.614 7.947 1.00 0.00 H new ATOM 0 HE ARG A 90 5.650 13.119 5.102 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.001 14.728 8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.162 15.915 7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.151 14.654 4.322 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.815 15.873 5.414 1.00 0.00 H new ATOM 1338 N LEU A 91 2.543 7.935 6.654 1.00 0.00 N ATOM 1339 CA LEU A 91 2.242 7.046 5.544 1.00 0.00 C ATOM 1340 C LEU A 91 1.022 7.577 4.789 1.00 0.00 C ATOM 1341 O LEU A 91 0.133 8.183 5.385 1.00 0.00 O ATOM 1342 CB LEU A 91 2.082 5.607 6.039 1.00 0.00 C ATOM 1343 CG LEU A 91 3.211 5.071 6.921 1.00 0.00 C ATOM 1344 CD1 LEU A 91 2.864 3.688 7.476 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.542 5.070 6.168 1.00 0.00 C ATOM 0 H LEU A 91 1.840 7.948 7.393 1.00 0.00 H new ATOM 0 HA LEU A 91 3.071 7.024 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.148 5.538 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.985 4.954 5.172 1.00 0.00 H new ATOM 0 HG LEU A 91 3.325 5.740 7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.683 3.330 8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.955 3.753 8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.706 2.994 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.327 4.684 6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.459 4.438 5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.789 6.087 5.865 1.00 0.00 H new ATOM 1357 N ARG A 92 1.019 7.329 3.487 1.00 0.00 N ATOM 1358 CA ARG A 92 -0.078 7.774 2.644 1.00 0.00 C ATOM 1359 C ARG A 92 -0.728 6.579 1.945 1.00 0.00 C ATOM 1360 O ARG A 92 -0.219 6.092 0.936 1.00 0.00 O ATOM 1361 CB ARG A 92 0.408 8.770 1.589 1.00 0.00 C ATOM 1362 CG ARG A 92 -0.495 10.004 1.543 1.00 0.00 C ATOM 1363 CD ARG A 92 0.215 11.180 0.869 1.00 0.00 C ATOM 1364 NE ARG A 92 -0.505 12.440 1.157 1.00 0.00 N ATOM 1365 CZ ARG A 92 -0.564 13.012 2.368 1.00 0.00 C ATOM 1366 NH1 ARG A 92 0.055 12.439 3.409 1.00 0.00 N ATOM 1367 NH2 ARG A 92 -1.241 14.155 2.536 1.00 0.00 N ATOM 0 H ARG A 92 1.758 6.826 2.996 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.810 8.267 3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.431 9.072 1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.424 8.290 0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.411 9.769 1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.787 10.283 2.555 1.00 0.00 H new ATOM 0 HD2 ARG A 92 1.242 11.249 1.227 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.263 11.017 -0.208 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.987 12.902 0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 92 0.571 11.568 3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.011 12.873 4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.712 14.590 1.743 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.286 14.590 3.457 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.844 6.140 2.508 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.570 5.011 1.951 1.00 0.00 C ATOM 1383 C VAL A 93 -3.707 5.527 1.067 1.00 0.00 C ATOM 1384 O VAL A 93 -4.521 6.338 1.507 1.00 0.00 O ATOM 1385 CB VAL A 93 -3.056 4.095 3.077 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.453 2.721 2.532 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -1.997 3.965 4.173 1.00 0.00 C ATOM 0 H VAL A 93 -2.263 6.546 3.345 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.916 4.410 1.320 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.942 4.549 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.795 2.089 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.256 2.836 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.591 2.257 2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.367 3.309 4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.085 3.544 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.783 4.949 4.591 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.728 5.035 -0.163 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.752 5.436 -1.112 1.00 0.00 C ATOM 1399 C GLU A 94 -4.865 4.406 -2.238 1.00 0.00 C ATOM 1400 O GLU A 94 -3.901 3.704 -2.541 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.465 6.831 -1.672 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.163 6.842 -2.475 1.00 0.00 C ATOM 1403 CD GLU A 94 -2.159 7.831 -1.880 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -2.614 8.917 -1.459 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -0.960 7.480 -1.858 1.00 0.00 O ATOM 0 H GLU A 94 -3.052 4.362 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.707 5.480 -0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.291 7.149 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.398 7.548 -0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.730 5.842 -2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.373 7.110 -3.510 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.050 4.348 -2.827 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.302 3.416 -3.912 1.00 0.00 C ATOM 1414 C PHE A 95 -5.664 3.905 -5.214 1.00 0.00 C ATOM 1415 O PHE A 95 -5.527 5.109 -5.429 1.00 0.00 O ATOM 1416 CB PHE A 95 -7.819 3.343 -4.097 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.520 2.395 -3.123 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.457 1.051 -3.318 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -9.206 2.897 -2.061 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -9.107 0.171 -2.413 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -9.857 2.017 -1.156 1.00 0.00 C ATOM 1422 CZ PHE A 95 -9.794 0.672 -1.351 1.00 0.00 C ATOM 0 H PHE A 95 -6.847 4.932 -2.573 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.875 2.442 -3.672 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.237 4.343 -3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.035 3.025 -5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.912 0.653 -4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.256 3.965 -1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.056 -0.897 -2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.402 2.416 -0.313 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.289 0.002 -0.663 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.281 2.922 -6.072 1.00 0.00 N ATOM 1433 CA PRO A 96 -4.661 3.240 -7.347 1.00 0.00 C ATOM 1434 C PRO A 96 -5.697 3.756 -8.347 1.00 0.00 C ATOM 1435 O PRO A 96 -6.862 3.363 -8.298 1.00 0.00 O ATOM 1436 CB PRO A 96 -3.995 1.949 -7.794 1.00 0.00 C ATOM 1437 CG PRO A 96 -4.654 0.840 -6.990 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.427 1.486 -5.851 1.00 0.00 C ATOM 0 HA PRO A 96 -3.929 4.044 -7.270 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.131 1.790 -8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.921 1.980 -7.610 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.323 0.256 -7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.903 0.153 -6.600 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.475 1.188 -5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.024 1.191 -4.882 1.00 0.00 H new