USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 856 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 MET CE :methyl 167:sc= -0.0537 (180deg=-0.341) USER MOD Set 1.2: A 87 CYS SG : rot 90:sc= -2.69! USER MOD Set 2.1: A 74 SER OG : rot 180:sc=-0.000734 USER MOD Set 2.2: A 88 GLN : amide:sc= -4.25! K(o=-4.3!,f=-1) USER MOD Single : A 20 SER OG : rot 55:sc= 0.378 USER MOD Single : A 24 GLN : amide:sc= 0.283 K(o=0.28,f=-0.27) USER MOD Single : A 34 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=-0.0066) USER MOD Single : A 37 SER OG : rot -132:sc= -0.407 USER MOD Single : A 39 HIS : no HD1:sc= -2.97 K(o=-3,f=-8.3!) USER MOD Single : A 45 GLN : amide:sc= -3.54 K(o=-3.5,f=-0.96) USER MOD Single : A 47 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.71) USER MOD Single : A 50 ASN : amide:sc= 0.164 X(o=0.16,f=-0.0076) USER MOD Single : A 54 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.054) USER MOD Single : A 62 TYR OH : rot -171:sc= 1.17 USER MOD Single : A 89 HIS : no HE2:sc= 0.464 K(o=0.46,f=-4.1!) USER MOD Single : A 94 SER OG : rot 142:sc= 1.37 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0.0585 K(o=0.059,f=-3.6!) USER MOD Single : A 105 ASN : amide:sc= -0.0801 K(o=-0.08,f=-0.74) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 237 N ILE A 14 0.734 10.253 -17.556 1.00 0.00 N ATOM 238 CA ILE A 14 1.623 9.364 -16.830 1.00 0.00 C ATOM 239 C ILE A 14 1.063 7.945 -16.752 1.00 0.00 C ATOM 240 O ILE A 14 -0.039 7.722 -16.258 1.00 0.00 O ATOM 241 CB ILE A 14 1.912 9.883 -15.401 1.00 0.00 C ATOM 242 CG1 ILE A 14 0.608 10.200 -14.658 1.00 0.00 C ATOM 243 CG2 ILE A 14 2.814 11.108 -15.453 1.00 0.00 C ATOM 244 CD1 ILE A 14 0.816 10.674 -13.234 1.00 0.00 C ATOM 0 HA ILE A 14 2.558 9.342 -17.390 1.00 0.00 H new ATOM 0 HB ILE A 14 2.429 9.097 -14.851 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.063 10.966 -15.210 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.019 9.308 -14.646 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.008 11.461 -14.440 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.757 10.845 -15.932 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.324 11.897 -16.024 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.151 10.878 -12.774 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.333 9.901 -12.665 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.416 11.584 -13.237 1.00 0.00 H new ATOM 256 N ALA A 15 1.827 7.003 -17.278 1.00 0.00 N ATOM 257 CA ALA A 15 1.515 5.589 -17.142 1.00 0.00 C ATOM 258 C ALA A 15 2.806 4.785 -17.183 1.00 0.00 C ATOM 259 O ALA A 15 3.261 4.359 -18.243 1.00 0.00 O ATOM 260 CB ALA A 15 0.544 5.120 -18.219 1.00 0.00 C ATOM 0 H ALA A 15 2.677 7.194 -17.809 1.00 0.00 H new ATOM 0 HA ALA A 15 1.021 5.431 -16.183 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.336 4.059 -18.084 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.385 5.685 -18.142 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.986 5.280 -19.202 1.00 0.00 H new ATOM 266 N PHE A 16 3.420 4.635 -16.021 1.00 0.00 N ATOM 267 CA PHE A 16 4.683 3.924 -15.904 1.00 0.00 C ATOM 268 C PHE A 16 4.460 2.419 -15.917 1.00 0.00 C ATOM 269 O PHE A 16 3.462 1.923 -15.391 1.00 0.00 O ATOM 270 CB PHE A 16 5.430 4.352 -14.632 1.00 0.00 C ATOM 271 CG PHE A 16 4.549 4.965 -13.574 1.00 0.00 C ATOM 272 CD1 PHE A 16 4.358 6.340 -13.533 1.00 0.00 C ATOM 273 CD2 PHE A 16 3.913 4.176 -12.627 1.00 0.00 C ATOM 274 CE1 PHE A 16 3.551 6.915 -12.571 1.00 0.00 C ATOM 275 CE2 PHE A 16 3.105 4.748 -11.662 1.00 0.00 C ATOM 276 CZ PHE A 16 2.923 6.118 -11.635 1.00 0.00 C ATOM 0 H PHE A 16 3.061 4.999 -15.139 1.00 0.00 H new ATOM 0 HA PHE A 16 5.299 4.182 -16.765 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.934 3.482 -14.210 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.205 5.069 -14.903 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.847 6.968 -14.263 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.050 3.105 -12.644 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.412 7.986 -12.551 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.616 4.124 -10.929 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.290 6.564 -10.882 1.00 0.00 H new ATOM 286 N ASP A 17 5.382 1.697 -16.537 1.00 0.00 N ATOM 287 CA ASP A 17 5.259 0.254 -16.645 1.00 0.00 C ATOM 288 C ASP A 17 5.846 -0.427 -15.419 1.00 0.00 C ATOM 289 O ASP A 17 7.043 -0.716 -15.360 1.00 0.00 O ATOM 290 CB ASP A 17 5.941 -0.263 -17.914 1.00 0.00 C ATOM 291 CG ASP A 17 5.778 -1.761 -18.081 1.00 0.00 C ATOM 292 OD1 ASP A 17 6.759 -2.501 -17.850 1.00 0.00 O ATOM 293 OD2 ASP A 17 4.668 -2.204 -18.439 1.00 0.00 O ATOM 0 H ASP A 17 6.219 2.086 -16.971 1.00 0.00 H new ATOM 0 HA ASP A 17 4.198 0.013 -16.705 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.522 0.246 -18.783 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.002 -0.016 -17.881 1.00 0.00 H new ATOM 298 N ALA A 18 5.006 -0.634 -14.421 1.00 0.00 N ATOM 299 CA ALA A 18 5.403 -1.345 -13.219 1.00 0.00 C ATOM 300 C ALA A 18 4.767 -2.725 -13.216 1.00 0.00 C ATOM 301 O ALA A 18 3.647 -2.892 -13.702 1.00 0.00 O ATOM 302 CB ALA A 18 4.994 -0.564 -11.977 1.00 0.00 C ATOM 0 H ALA A 18 4.037 -0.317 -14.420 1.00 0.00 H new ATOM 0 HA ALA A 18 6.488 -1.451 -13.207 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.300 -1.112 -11.086 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.477 0.413 -11.986 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.912 -0.433 -11.969 1.00 0.00 H new ATOM 308 N ASP A 19 5.479 -3.709 -12.691 1.00 0.00 N ATOM 309 CA ASP A 19 4.952 -5.066 -12.637 1.00 0.00 C ATOM 310 C ASP A 19 3.773 -5.091 -11.679 1.00 0.00 C ATOM 311 O ASP A 19 3.922 -4.806 -10.493 1.00 0.00 O ATOM 312 CB ASP A 19 6.034 -6.053 -12.194 1.00 0.00 C ATOM 313 CG ASP A 19 5.649 -7.494 -12.456 1.00 0.00 C ATOM 314 OD1 ASP A 19 5.210 -8.183 -11.513 1.00 0.00 O ATOM 315 OD2 ASP A 19 5.806 -7.950 -13.608 1.00 0.00 O ATOM 0 H ASP A 19 6.414 -3.597 -12.299 1.00 0.00 H new ATOM 0 HA ASP A 19 4.622 -5.370 -13.631 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.963 -5.828 -12.718 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.228 -5.920 -11.130 1.00 0.00 H new ATOM 320 N SER A 20 2.597 -5.384 -12.208 1.00 0.00 N ATOM 321 CA SER A 20 1.373 -5.250 -11.438 1.00 0.00 C ATOM 322 C SER A 20 0.689 -6.595 -11.227 1.00 0.00 C ATOM 323 O SER A 20 0.418 -7.319 -12.184 1.00 0.00 O ATOM 324 CB SER A 20 0.418 -4.299 -12.161 1.00 0.00 C ATOM 325 OG SER A 20 1.075 -3.096 -12.520 1.00 0.00 O ATOM 0 H SER A 20 2.464 -5.715 -13.164 1.00 0.00 H new ATOM 0 HA SER A 20 1.634 -4.850 -10.458 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.024 -4.783 -13.055 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.433 -4.075 -11.518 1.00 0.00 H new ATOM 0 HG SER A 20 1.874 -3.305 -13.048 1.00 0.00 H new ATOM 331 N GLU A 21 0.418 -6.923 -9.975 1.00 0.00 N ATOM 332 CA GLU A 21 -0.393 -8.084 -9.659 1.00 0.00 C ATOM 333 C GLU A 21 -1.417 -7.726 -8.589 1.00 0.00 C ATOM 334 O GLU A 21 -1.095 -7.066 -7.596 1.00 0.00 O ATOM 335 CB GLU A 21 0.471 -9.276 -9.222 1.00 0.00 C ATOM 336 CG GLU A 21 1.202 -9.090 -7.900 1.00 0.00 C ATOM 337 CD GLU A 21 1.929 -10.348 -7.462 1.00 0.00 C ATOM 338 OE1 GLU A 21 3.152 -10.288 -7.222 1.00 0.00 O ATOM 339 OE2 GLU A 21 1.285 -11.413 -7.363 1.00 0.00 O ATOM 0 H GLU A 21 0.748 -6.402 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.921 -8.388 -10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.165 -10.158 -9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.206 -9.478 -10.001 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.918 -8.274 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.487 -8.799 -7.130 1.00 0.00 H new ATOM 346 N ILE A 22 -2.657 -8.122 -8.824 1.00 0.00 N ATOM 347 CA ILE A 22 -3.724 -7.881 -7.872 1.00 0.00 C ATOM 348 C ILE A 22 -3.937 -9.127 -7.024 1.00 0.00 C ATOM 349 O ILE A 22 -4.048 -10.239 -7.542 1.00 0.00 O ATOM 350 CB ILE A 22 -5.044 -7.449 -8.576 1.00 0.00 C ATOM 351 CG1 ILE A 22 -5.123 -5.918 -8.677 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.268 -7.980 -7.842 1.00 0.00 C ATOM 353 CD1 ILE A 22 -3.979 -5.279 -9.433 1.00 0.00 C ATOM 0 H ILE A 22 -2.948 -8.613 -9.669 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.429 -7.053 -7.227 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.035 -7.877 -9.579 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.060 -5.647 -9.164 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.154 -5.501 -7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.171 -7.659 -8.361 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.232 -9.069 -7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.278 -7.592 -6.823 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.116 -4.198 -9.455 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.038 -5.515 -8.937 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.958 -5.663 -10.453 1.00 0.00 H new ATOM 365 N LEU A 23 -3.946 -8.931 -5.720 1.00 0.00 N ATOM 366 CA LEU A 23 -4.036 -10.032 -4.785 1.00 0.00 C ATOM 367 C LEU A 23 -5.396 -10.054 -4.110 1.00 0.00 C ATOM 368 O LEU A 23 -6.019 -9.016 -3.908 1.00 0.00 O ATOM 369 CB LEU A 23 -2.953 -9.906 -3.708 1.00 0.00 C ATOM 370 CG LEU A 23 -1.541 -9.612 -4.221 1.00 0.00 C ATOM 371 CD1 LEU A 23 -0.564 -9.527 -3.059 1.00 0.00 C ATOM 372 CD2 LEU A 23 -1.097 -10.673 -5.208 1.00 0.00 C ATOM 0 H LEU A 23 -3.892 -8.011 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.894 -10.957 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.242 -9.113 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.926 -10.833 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.556 -8.651 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.436 -9.318 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.870 -8.728 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.556 -10.474 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.091 -10.444 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.098 -11.647 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.782 -10.691 -6.055 1.00 0.00 H new ATOM 384 N GLN A 24 -5.847 -11.243 -3.776 1.00 0.00 N ATOM 385 CA GLN A 24 -7.017 -11.413 -2.936 1.00 0.00 C ATOM 386 C GLN A 24 -6.574 -12.183 -1.701 1.00 0.00 C ATOM 387 O GLN A 24 -7.155 -13.205 -1.337 1.00 0.00 O ATOM 388 CB GLN A 24 -8.120 -12.173 -3.684 1.00 0.00 C ATOM 389 CG GLN A 24 -9.546 -11.779 -3.293 1.00 0.00 C ATOM 390 CD GLN A 24 -9.792 -11.804 -1.795 1.00 0.00 C ATOM 391 OE1 GLN A 24 -10.128 -12.841 -1.224 1.00 0.00 O ATOM 392 NE2 GLN A 24 -9.664 -10.652 -1.152 1.00 0.00 N ATOM 0 H GLN A 24 -5.417 -12.118 -4.077 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.432 -10.445 -2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.993 -12.010 -4.754 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.991 -13.241 -3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.754 -10.778 -3.671 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.248 -12.456 -3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.383 -9.813 -1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.846 -10.605 -0.150 1.00 0.00 H new ATOM 401 N GLY A 25 -5.502 -11.699 -1.089 1.00 0.00 N ATOM 402 CA GLY A 25 -4.909 -12.387 0.035 1.00 0.00 C ATOM 403 C GLY A 25 -4.147 -13.624 -0.399 1.00 0.00 C ATOM 404 O GLY A 25 -2.928 -13.590 -0.560 1.00 0.00 O ATOM 0 H GLY A 25 -5.031 -10.835 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.235 -11.711 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.690 -12.670 0.741 1.00 0.00 H new ATOM 408 N GLU A 26 -4.879 -14.707 -0.623 1.00 0.00 N ATOM 409 CA GLU A 26 -4.275 -15.981 -0.992 1.00 0.00 C ATOM 410 C GLU A 26 -4.043 -16.061 -2.498 1.00 0.00 C ATOM 411 O GLU A 26 -3.096 -16.696 -2.959 1.00 0.00 O ATOM 412 CB GLU A 26 -5.184 -17.137 -0.569 1.00 0.00 C ATOM 413 CG GLU A 26 -5.653 -17.062 0.872 1.00 0.00 C ATOM 414 CD GLU A 26 -4.512 -17.050 1.866 1.00 0.00 C ATOM 415 OE1 GLU A 26 -4.221 -15.976 2.431 1.00 0.00 O ATOM 416 OE2 GLU A 26 -3.915 -18.120 2.103 1.00 0.00 O ATOM 0 H GLU A 26 -5.897 -14.729 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.316 -16.055 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.056 -17.157 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.652 -18.077 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.254 -16.163 1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.301 -17.913 1.082 1.00 0.00 H new ATOM 423 N ARG A 27 -4.912 -15.415 -3.258 1.00 0.00 N ATOM 424 CA ARG A 27 -4.889 -15.532 -4.709 1.00 0.00 C ATOM 425 C ARG A 27 -4.140 -14.362 -5.339 1.00 0.00 C ATOM 426 O ARG A 27 -4.198 -13.239 -4.838 1.00 0.00 O ATOM 427 CB ARG A 27 -6.322 -15.615 -5.238 1.00 0.00 C ATOM 428 CG ARG A 27 -7.089 -16.799 -4.665 1.00 0.00 C ATOM 429 CD ARG A 27 -8.538 -16.830 -5.123 1.00 0.00 C ATOM 430 NE ARG A 27 -8.668 -17.050 -6.562 1.00 0.00 N ATOM 431 CZ ARG A 27 -9.398 -18.030 -7.097 1.00 0.00 C ATOM 432 NH1 ARG A 27 -9.920 -18.973 -6.319 1.00 0.00 N ATOM 433 NH2 ARG A 27 -9.562 -18.097 -8.412 1.00 0.00 N ATOM 0 H ARG A 27 -5.643 -14.803 -2.895 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.358 -16.444 -4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.849 -14.693 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.300 -15.692 -6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.597 -17.725 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.056 -16.757 -3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.067 -17.619 -4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.019 -15.888 -4.858 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.173 -16.419 -7.192 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.763 -18.948 -5.312 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.478 -19.722 -6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.129 -17.398 -9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.121 -18.847 -8.819 1.00 0.00 H new ATOM 447 N ARG A 28 -3.436 -14.636 -6.433 1.00 0.00 N ATOM 448 CA ARG A 28 -2.582 -13.638 -7.075 1.00 0.00 C ATOM 449 C ARG A 28 -2.838 -13.604 -8.578 1.00 0.00 C ATOM 450 O ARG A 28 -2.757 -14.637 -9.246 1.00 0.00 O ATOM 451 CB ARG A 28 -1.107 -13.967 -6.821 1.00 0.00 C ATOM 452 CG ARG A 28 -0.758 -14.126 -5.348 1.00 0.00 C ATOM 453 CD ARG A 28 0.698 -14.517 -5.152 1.00 0.00 C ATOM 454 NE ARG A 28 1.626 -13.473 -5.589 1.00 0.00 N ATOM 455 CZ ARG A 28 2.878 -13.372 -5.150 1.00 0.00 C ATOM 456 NH1 ARG A 28 3.349 -14.245 -4.273 1.00 0.00 N ATOM 457 NH2 ARG A 28 3.662 -12.398 -5.592 1.00 0.00 N ATOM 0 H ARG A 28 -3.439 -15.545 -6.896 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.817 -12.662 -6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.854 -14.888 -7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.489 -13.177 -7.248 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.957 -13.191 -4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.401 -14.884 -4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.873 -14.735 -4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.902 -15.434 -5.706 1.00 0.00 H new ATOM 0 HE ARG A 28 1.295 -12.786 -6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.752 -14.998 -3.932 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.309 -14.165 -3.939 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.306 -11.724 -6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.621 -12.323 -5.254 1.00 0.00 H new ATOM 471 N TRP A 29 -3.155 -12.429 -9.107 1.00 0.00 N ATOM 472 CA TRP A 29 -3.426 -12.289 -10.531 1.00 0.00 C ATOM 473 C TRP A 29 -2.581 -11.184 -11.152 1.00 0.00 C ATOM 474 O TRP A 29 -2.802 -9.999 -10.897 1.00 0.00 O ATOM 475 CB TRP A 29 -4.909 -12.001 -10.771 1.00 0.00 C ATOM 476 CG TRP A 29 -5.814 -13.000 -10.128 1.00 0.00 C ATOM 477 CD1 TRP A 29 -5.909 -14.331 -10.418 1.00 0.00 C ATOM 478 CD2 TRP A 29 -6.755 -12.745 -9.085 1.00 0.00 C ATOM 479 NE1 TRP A 29 -6.844 -14.922 -9.605 1.00 0.00 N ATOM 480 CE2 TRP A 29 -7.382 -13.966 -8.782 1.00 0.00 C ATOM 481 CE3 TRP A 29 -7.124 -11.600 -8.375 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -8.359 -14.072 -7.800 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -8.095 -11.707 -7.400 1.00 0.00 C ATOM 484 CH2 TRP A 29 -8.704 -12.936 -7.120 1.00 0.00 C ATOM 0 H TRP A 29 -3.230 -11.563 -8.574 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.162 -13.233 -11.008 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.146 -11.008 -10.390 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.100 -11.985 -11.844 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.334 -14.843 -11.175 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.097 -15.910 -9.612 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -6.658 -10.649 -8.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.830 -15.019 -7.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.390 -10.829 -6.844 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -9.461 -12.988 -6.352 1.00 0.00 H new ATOM 495 N GLU A 30 -1.601 -11.585 -11.947 1.00 0.00 N ATOM 496 CA GLU A 30 -0.769 -10.650 -12.694 1.00 0.00 C ATOM 497 C GLU A 30 -1.619 -9.903 -13.727 1.00 0.00 C ATOM 498 O GLU A 30 -2.288 -10.525 -14.556 1.00 0.00 O ATOM 499 CB GLU A 30 0.361 -11.424 -13.372 1.00 0.00 C ATOM 500 CG GLU A 30 1.385 -10.560 -14.080 1.00 0.00 C ATOM 501 CD GLU A 30 2.496 -11.393 -14.681 1.00 0.00 C ATOM 502 OE1 GLU A 30 2.282 -11.980 -15.764 1.00 0.00 O ATOM 503 OE2 GLU A 30 3.581 -11.482 -14.069 1.00 0.00 O ATOM 0 H GLU A 30 -1.359 -12.565 -12.093 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.337 -9.912 -12.018 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.871 -12.027 -12.621 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.073 -12.115 -14.095 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.895 -9.984 -14.865 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.807 -9.843 -13.375 1.00 0.00 H new ATOM 510 N VAL A 31 -1.588 -8.579 -13.676 1.00 0.00 N ATOM 511 CA VAL A 31 -2.490 -7.766 -14.482 1.00 0.00 C ATOM 512 C VAL A 31 -1.726 -6.660 -15.221 1.00 0.00 C ATOM 513 O VAL A 31 -0.579 -6.357 -14.892 1.00 0.00 O ATOM 514 CB VAL A 31 -3.596 -7.151 -13.589 1.00 0.00 C ATOM 515 CG1 VAL A 31 -3.034 -6.049 -12.706 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.764 -6.643 -14.421 1.00 0.00 C ATOM 0 H VAL A 31 -0.950 -8.045 -13.086 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.954 -8.411 -15.228 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.974 -7.942 -12.941 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.832 -5.634 -12.089 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.255 -6.459 -12.064 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.612 -5.262 -13.331 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.522 -6.218 -13.763 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.412 -5.877 -15.112 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.196 -7.470 -14.985 1.00 0.00 H new ATOM 526 N LEU A 32 -2.364 -6.068 -16.224 1.00 0.00 N ATOM 527 CA LEU A 32 -1.745 -5.013 -17.013 1.00 0.00 C ATOM 528 C LEU A 32 -2.183 -3.641 -16.510 1.00 0.00 C ATOM 529 O LEU A 32 -3.380 -3.358 -16.425 1.00 0.00 O ATOM 530 CB LEU A 32 -2.108 -5.147 -18.498 1.00 0.00 C ATOM 531 CG LEU A 32 -1.543 -6.375 -19.231 1.00 0.00 C ATOM 532 CD1 LEU A 32 -2.266 -7.650 -18.821 1.00 0.00 C ATOM 533 CD2 LEU A 32 -1.636 -6.173 -20.734 1.00 0.00 C ATOM 0 H LEU A 32 -3.314 -6.303 -16.510 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.665 -5.112 -16.904 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.194 -5.168 -18.584 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.764 -4.252 -19.016 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.496 -6.484 -18.949 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.841 -8.498 -19.358 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.150 -7.805 -17.748 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.325 -7.561 -19.062 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.233 -7.048 -21.244 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.679 -6.035 -21.019 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.062 -5.291 -21.019 1.00 0.00 H new ATOM 545 N LEU A 33 -1.215 -2.797 -16.183 1.00 0.00 N ATOM 546 CA LEU A 33 -1.493 -1.444 -15.713 1.00 0.00 C ATOM 547 C LEU A 33 -1.815 -0.525 -16.891 1.00 0.00 C ATOM 548 O LEU A 33 -1.289 -0.706 -17.989 1.00 0.00 O ATOM 549 CB LEU A 33 -0.289 -0.908 -14.932 1.00 0.00 C ATOM 550 CG LEU A 33 -0.465 0.487 -14.326 1.00 0.00 C ATOM 551 CD1 LEU A 33 -1.622 0.501 -13.342 1.00 0.00 C ATOM 552 CD2 LEU A 33 0.818 0.933 -13.643 1.00 0.00 C ATOM 0 H LEU A 33 -0.222 -3.026 -16.235 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.360 -1.471 -15.053 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.058 -1.608 -14.129 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.575 -0.890 -15.597 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.691 1.186 -15.131 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.731 1.501 -12.922 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.541 0.222 -13.857 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.426 -0.210 -12.539 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.677 1.926 -13.217 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.071 0.230 -12.849 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.627 0.962 -14.373 1.00 0.00 H new ATOM 564 N HIS A 34 -2.693 0.446 -16.665 1.00 0.00 N ATOM 565 CA HIS A 34 -3.077 1.397 -17.704 1.00 0.00 C ATOM 566 C HIS A 34 -2.961 2.831 -17.188 1.00 0.00 C ATOM 567 O HIS A 34 -2.549 3.728 -17.922 1.00 0.00 O ATOM 568 CB HIS A 34 -4.506 1.128 -18.199 1.00 0.00 C ATOM 569 CG HIS A 34 -4.652 -0.091 -19.070 1.00 0.00 C ATOM 570 ND1 HIS A 34 -4.817 -0.019 -20.438 1.00 0.00 N ATOM 571 CD2 HIS A 34 -4.685 -1.414 -18.766 1.00 0.00 C ATOM 572 CE1 HIS A 34 -4.949 -1.234 -20.931 1.00 0.00 C ATOM 573 NE2 HIS A 34 -4.874 -2.100 -19.942 1.00 0.00 N ATOM 0 H HIS A 34 -3.154 0.596 -15.768 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.394 1.268 -18.544 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.161 1.020 -17.334 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.853 1.999 -18.755 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.582 -1.847 -17.782 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.094 -1.479 -21.973 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.945 -3.113 -20.034 1.00 0.00 H new ATOM 582 N ASP A 35 -3.330 3.040 -15.923 1.00 0.00 N ATOM 583 CA ASP A 35 -3.215 4.356 -15.286 1.00 0.00 C ATOM 584 C ASP A 35 -3.372 4.208 -13.772 1.00 0.00 C ATOM 585 O ASP A 35 -3.800 3.156 -13.291 1.00 0.00 O ATOM 586 CB ASP A 35 -4.280 5.319 -15.833 1.00 0.00 C ATOM 587 CG ASP A 35 -3.911 6.784 -15.651 1.00 0.00 C ATOM 588 OD1 ASP A 35 -3.646 7.464 -16.667 1.00 0.00 O ATOM 589 OD2 ASP A 35 -3.901 7.271 -14.510 1.00 0.00 O ATOM 0 H ASP A 35 -3.712 2.314 -15.317 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.232 4.769 -15.511 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.432 5.118 -16.893 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.228 5.125 -15.332 1.00 0.00 H new ATOM 594 N VAL A 36 -3.041 5.257 -13.031 1.00 0.00 N ATOM 595 CA VAL A 36 -3.092 5.230 -11.576 1.00 0.00 C ATOM 596 C VAL A 36 -3.019 6.651 -11.013 1.00 0.00 C ATOM 597 O VAL A 36 -2.285 7.497 -11.525 1.00 0.00 O ATOM 598 CB VAL A 36 -1.949 4.362 -10.989 1.00 0.00 C ATOM 599 CG1 VAL A 36 -0.585 4.902 -11.396 1.00 0.00 C ATOM 600 CG2 VAL A 36 -2.057 4.264 -9.473 1.00 0.00 C ATOM 0 H VAL A 36 -2.731 6.147 -13.420 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.041 4.781 -11.283 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.053 3.358 -11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.197 4.273 -10.970 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.502 4.898 -12.483 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.472 5.921 -11.027 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.243 3.649 -9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.995 5.262 -9.039 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.011 3.811 -9.205 1.00 0.00 H new ATOM 610 N SER A 37 -3.802 6.919 -9.975 1.00 0.00 N ATOM 611 CA SER A 37 -3.827 8.234 -9.348 1.00 0.00 C ATOM 612 C SER A 37 -4.223 8.121 -7.878 1.00 0.00 C ATOM 613 O SER A 37 -4.319 7.021 -7.336 1.00 0.00 O ATOM 614 CB SER A 37 -4.805 9.164 -10.076 1.00 0.00 C ATOM 615 OG SER A 37 -4.467 9.313 -11.441 1.00 0.00 O ATOM 0 H SER A 37 -4.431 6.239 -9.548 1.00 0.00 H new ATOM 0 HA SER A 37 -2.824 8.656 -9.414 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.816 8.766 -9.993 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.806 10.141 -9.593 1.00 0.00 H new ATOM 0 HG SER A 37 -4.480 10.263 -11.679 1.00 0.00 H new ATOM 621 N LEU A 38 -4.482 9.262 -7.246 1.00 0.00 N ATOM 622 CA LEU A 38 -4.843 9.299 -5.828 1.00 0.00 C ATOM 623 C LEU A 38 -6.273 8.806 -5.629 1.00 0.00 C ATOM 624 O LEU A 38 -6.732 8.605 -4.506 1.00 0.00 O ATOM 625 CB LEU A 38 -4.726 10.731 -5.293 1.00 0.00 C ATOM 626 CG LEU A 38 -3.457 11.483 -5.696 1.00 0.00 C ATOM 627 CD1 LEU A 38 -3.453 12.884 -5.107 1.00 0.00 C ATOM 628 CD2 LEU A 38 -2.215 10.721 -5.259 1.00 0.00 C ATOM 0 H LEU A 38 -4.449 10.178 -7.694 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.159 8.647 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.589 11.300 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.778 10.699 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.444 11.565 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.542 13.402 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.320 13.435 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.495 12.822 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.325 11.275 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.223 10.602 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.206 9.739 -5.731 1.00 0.00 H new ATOM 640 N HIS A 39 -6.969 8.628 -6.740 1.00 0.00 N ATOM 641 CA HIS A 39 -8.381 8.263 -6.721 1.00 0.00 C ATOM 642 C HIS A 39 -8.531 6.758 -6.800 1.00 0.00 C ATOM 643 O HIS A 39 -9.532 6.187 -6.365 1.00 0.00 O ATOM 644 CB HIS A 39 -9.102 8.914 -7.905 1.00 0.00 C ATOM 645 CG HIS A 39 -8.804 10.372 -8.041 1.00 0.00 C ATOM 646 ND1 HIS A 39 -8.789 11.034 -9.242 1.00 0.00 N ATOM 647 CD2 HIS A 39 -8.482 11.287 -7.110 1.00 0.00 C ATOM 648 CE1 HIS A 39 -8.467 12.294 -9.036 1.00 0.00 C ATOM 649 NE2 HIS A 39 -8.273 12.477 -7.747 1.00 0.00 N ATOM 0 H HIS A 39 -6.577 8.731 -7.676 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.823 8.617 -5.790 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.814 8.403 -8.824 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.177 8.778 -7.788 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.403 11.112 -6.047 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.377 13.053 -9.799 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.012 13.356 -7.301 1.00 0.00 H new ATOM 658 N GLY A 40 -7.516 6.124 -7.349 1.00 0.00 N ATOM 659 CA GLY A 40 -7.558 4.701 -7.568 1.00 0.00 C ATOM 660 C GLY A 40 -6.593 4.275 -8.646 1.00 0.00 C ATOM 661 O GLY A 40 -5.531 4.878 -8.805 1.00 0.00 O ATOM 0 H GLY A 40 -6.653 6.576 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.319 4.182 -6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.569 4.405 -7.847 1.00 0.00 H new ATOM 665 N ILE A 41 -6.979 3.275 -9.414 1.00 0.00 N ATOM 666 CA ILE A 41 -6.084 2.682 -10.391 1.00 0.00 C ATOM 667 C ILE A 41 -6.880 2.030 -11.520 1.00 0.00 C ATOM 668 O ILE A 41 -7.971 1.497 -11.298 1.00 0.00 O ATOM 669 CB ILE A 41 -5.153 1.639 -9.716 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.173 1.031 -10.726 1.00 0.00 C ATOM 671 CG2 ILE A 41 -5.968 0.547 -9.042 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.192 0.051 -10.110 1.00 0.00 C ATOM 0 H ILE A 41 -7.908 2.855 -9.381 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.466 3.474 -10.814 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.571 2.158 -8.954 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.739 0.523 -11.507 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.616 1.835 -11.208 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.296 -0.173 -8.575 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.610 0.990 -8.281 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.583 0.040 -9.786 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.531 -0.338 -10.885 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.600 0.559 -9.349 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.740 -0.773 -9.653 1.00 0.00 H new ATOM 684 N LEU A 42 -6.345 2.105 -12.733 1.00 0.00 N ATOM 685 CA LEU A 42 -6.976 1.487 -13.885 1.00 0.00 C ATOM 686 C LEU A 42 -6.090 0.388 -14.447 1.00 0.00 C ATOM 687 O LEU A 42 -4.970 0.641 -14.901 1.00 0.00 O ATOM 688 CB LEU A 42 -7.259 2.521 -14.975 1.00 0.00 C ATOM 689 CG LEU A 42 -7.892 1.950 -16.249 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.335 1.542 -15.998 1.00 0.00 C ATOM 691 CD2 LEU A 42 -7.803 2.947 -17.393 1.00 0.00 C ATOM 0 H LEU A 42 -5.472 2.590 -12.941 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.922 1.057 -13.556 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.920 3.286 -14.568 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.324 3.015 -15.240 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.332 1.059 -16.534 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.764 1.140 -16.916 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.368 0.781 -15.218 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.909 2.412 -15.680 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.259 2.518 -18.285 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.329 3.862 -17.120 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.757 3.177 -17.595 1.00 0.00 H new ATOM 703 N VAL A 43 -6.590 -0.832 -14.409 1.00 0.00 N ATOM 704 CA VAL A 43 -5.891 -1.960 -14.995 1.00 0.00 C ATOM 705 C VAL A 43 -6.783 -2.638 -16.027 1.00 0.00 C ATOM 706 O VAL A 43 -7.941 -2.254 -16.198 1.00 0.00 O ATOM 707 CB VAL A 43 -5.444 -2.990 -13.933 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.406 -2.388 -13.000 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.633 -3.503 -13.141 1.00 0.00 C ATOM 0 H VAL A 43 -7.483 -1.068 -13.976 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.991 -1.574 -15.473 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.991 -3.833 -14.455 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.106 -3.131 -12.261 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.535 -2.078 -13.577 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.832 -1.523 -12.492 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.292 -4.226 -12.400 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.121 -2.669 -12.636 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.341 -3.982 -13.817 1.00 0.00 H new ATOM 719 N GLY A 44 -6.248 -3.632 -16.717 1.00 0.00 N ATOM 720 CA GLY A 44 -7.018 -4.316 -17.734 1.00 0.00 C ATOM 721 C GLY A 44 -7.021 -5.814 -17.542 1.00 0.00 C ATOM 722 O GLY A 44 -5.970 -6.418 -17.318 1.00 0.00 O ATOM 0 H GLY A 44 -5.296 -3.977 -16.592 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.044 -3.948 -17.718 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.609 -4.079 -18.716 1.00 0.00 H new ATOM 726 N GLN A 45 -8.199 -6.412 -17.629 1.00 0.00 N ATOM 727 CA GLN A 45 -8.337 -7.851 -17.459 1.00 0.00 C ATOM 728 C GLN A 45 -8.060 -8.579 -18.772 1.00 0.00 C ATOM 729 O GLN A 45 -8.712 -8.327 -19.784 1.00 0.00 O ATOM 730 CB GLN A 45 -9.737 -8.206 -16.935 1.00 0.00 C ATOM 731 CG GLN A 45 -10.873 -7.609 -17.753 1.00 0.00 C ATOM 732 CD GLN A 45 -12.247 -8.032 -17.264 1.00 0.00 C ATOM 733 OE1 GLN A 45 -13.195 -8.115 -18.043 1.00 0.00 O ATOM 734 NE2 GLN A 45 -12.368 -8.303 -15.972 1.00 0.00 N ATOM 0 H GLN A 45 -9.074 -5.923 -17.816 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.602 -8.176 -16.723 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.844 -9.291 -16.921 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.826 -7.863 -15.904 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.802 -6.522 -17.722 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.758 -7.907 -18.795 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.559 -8.223 -15.356 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.270 -8.592 -15.594 1.00 0.00 H new ATOM 743 N PRO A 46 -7.058 -9.468 -18.777 1.00 0.00 N ATOM 744 CA PRO A 46 -6.731 -10.290 -19.931 1.00 0.00 C ATOM 745 C PRO A 46 -7.413 -11.654 -19.875 1.00 0.00 C ATOM 746 O PRO A 46 -7.197 -12.503 -20.740 1.00 0.00 O ATOM 747 CB PRO A 46 -5.219 -10.440 -19.793 1.00 0.00 C ATOM 748 CG PRO A 46 -4.965 -10.436 -18.318 1.00 0.00 C ATOM 749 CD PRO A 46 -6.129 -9.721 -17.663 1.00 0.00 C ATOM 0 HA PRO A 46 -7.058 -9.853 -20.874 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.870 -11.365 -20.251 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.694 -9.622 -20.287 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.878 -11.455 -17.940 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.026 -9.930 -18.091 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.590 -10.334 -16.889 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.812 -8.793 -17.188 1.00 0.00 H new ATOM 757 N GLN A 47 -8.240 -11.848 -18.857 1.00 0.00 N ATOM 758 CA GLN A 47 -8.878 -13.130 -18.612 1.00 0.00 C ATOM 759 C GLN A 47 -10.146 -12.911 -17.784 1.00 0.00 C ATOM 760 O GLN A 47 -10.427 -11.783 -17.376 1.00 0.00 O ATOM 761 CB GLN A 47 -7.898 -14.057 -17.873 1.00 0.00 C ATOM 762 CG GLN A 47 -8.331 -15.517 -17.804 1.00 0.00 C ATOM 763 CD GLN A 47 -8.508 -16.143 -19.173 1.00 0.00 C ATOM 764 OE1 GLN A 47 -7.843 -15.765 -20.134 1.00 0.00 O ATOM 765 NE2 GLN A 47 -9.410 -17.103 -19.272 1.00 0.00 N ATOM 0 H GLN A 47 -8.485 -11.124 -18.182 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.152 -13.599 -19.557 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.927 -14.003 -18.365 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.762 -13.684 -16.858 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.589 -16.085 -17.243 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.269 -15.587 -17.253 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.943 -17.389 -18.450 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.574 -17.558 -20.170 1.00 0.00 H new ATOM 774 N ASP A 48 -10.899 -13.981 -17.549 1.00 0.00 N ATOM 775 CA ASP A 48 -12.110 -13.921 -16.732 1.00 0.00 C ATOM 776 C ASP A 48 -11.782 -13.429 -15.323 1.00 0.00 C ATOM 777 O ASP A 48 -10.735 -13.768 -14.766 1.00 0.00 O ATOM 778 CB ASP A 48 -12.766 -15.302 -16.677 1.00 0.00 C ATOM 779 CG ASP A 48 -14.001 -15.337 -15.801 1.00 0.00 C ATOM 780 OD1 ASP A 48 -14.859 -14.440 -15.932 1.00 0.00 O ATOM 781 OD2 ASP A 48 -14.130 -16.282 -14.993 1.00 0.00 O ATOM 0 H ASP A 48 -10.690 -14.909 -17.916 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.807 -13.216 -17.185 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.035 -15.611 -17.687 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.042 -16.027 -16.304 1.00 0.00 H new ATOM 786 N TRP A 49 -12.679 -12.636 -14.752 1.00 0.00 N ATOM 787 CA TRP A 49 -12.414 -11.970 -13.483 1.00 0.00 C ATOM 788 C TRP A 49 -12.945 -12.782 -12.300 1.00 0.00 C ATOM 789 O TRP A 49 -13.896 -13.553 -12.432 1.00 0.00 O ATOM 790 CB TRP A 49 -13.030 -10.569 -13.488 1.00 0.00 C ATOM 791 CG TRP A 49 -12.652 -9.742 -12.299 1.00 0.00 C ATOM 792 CD1 TRP A 49 -13.490 -9.243 -11.342 1.00 0.00 C ATOM 793 CD2 TRP A 49 -11.329 -9.330 -11.929 1.00 0.00 C ATOM 794 NE1 TRP A 49 -12.770 -8.543 -10.406 1.00 0.00 N ATOM 795 CE2 TRP A 49 -11.444 -8.581 -10.745 1.00 0.00 C ATOM 796 CE3 TRP A 49 -10.059 -9.520 -12.486 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -10.339 -8.023 -10.107 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -8.964 -8.965 -11.849 1.00 0.00 C ATOM 799 CH2 TRP A 49 -9.110 -8.223 -10.671 1.00 0.00 C ATOM 0 H TRP A 49 -13.598 -12.438 -15.148 1.00 0.00 H new ATOM 0 HA TRP A 49 -11.334 -11.886 -13.366 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -12.721 -10.049 -14.395 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -14.116 -10.659 -13.527 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.561 -9.379 -11.325 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.160 -8.071 -9.590 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.937 -10.089 -13.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.449 -7.452 -9.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.979 -9.107 -12.268 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.235 -7.801 -10.199 1.00 0.00 H new ATOM 810 N ASN A 50 -12.317 -12.594 -11.147 1.00 0.00 N ATOM 811 CA ASN A 50 -12.681 -13.306 -9.930 1.00 0.00 C ATOM 812 C ASN A 50 -12.717 -12.334 -8.753 1.00 0.00 C ATOM 813 O ASN A 50 -11.849 -11.471 -8.643 1.00 0.00 O ATOM 814 CB ASN A 50 -11.658 -14.416 -9.655 1.00 0.00 C ATOM 815 CG ASN A 50 -11.951 -15.199 -8.387 1.00 0.00 C ATOM 816 OD1 ASN A 50 -12.606 -16.238 -8.421 1.00 0.00 O ATOM 817 ND2 ASN A 50 -11.468 -14.699 -7.257 1.00 0.00 N ATOM 0 H ASN A 50 -11.540 -11.943 -11.029 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.668 -13.750 -10.056 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.639 -15.102 -10.502 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.664 -13.975 -9.580 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.636 -15.180 -6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.929 -13.833 -7.272 1.00 0.00 H new ATOM 857 N GLN A 54 -17.178 -6.517 -4.920 1.00 0.00 N ATOM 858 CA GLN A 54 -17.633 -6.646 -3.546 1.00 0.00 C ATOM 859 C GLN A 54 -16.503 -7.127 -2.648 1.00 0.00 C ATOM 860 O GLN A 54 -16.516 -6.896 -1.437 1.00 0.00 O ATOM 861 CB GLN A 54 -18.802 -7.623 -3.453 1.00 0.00 C ATOM 862 CG GLN A 54 -20.059 -7.149 -4.157 1.00 0.00 C ATOM 863 CD GLN A 54 -21.239 -8.063 -3.906 1.00 0.00 C ATOM 864 OE1 GLN A 54 -22.117 -8.206 -4.754 1.00 0.00 O ATOM 865 NE2 GLN A 54 -21.281 -8.676 -2.733 1.00 0.00 N ATOM 0 HA GLN A 54 -17.962 -5.662 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.498 -8.579 -3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -19.031 -7.801 -2.402 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -20.304 -6.142 -3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -19.871 -7.088 -5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -20.533 -8.532 -2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -22.062 -9.292 -2.507 1.00 0.00 H new ATOM 874 N ARG A 55 -15.522 -7.794 -3.242 1.00 0.00 N ATOM 875 CA ARG A 55 -14.442 -8.388 -2.481 1.00 0.00 C ATOM 876 C ARG A 55 -13.148 -7.618 -2.709 1.00 0.00 C ATOM 877 O ARG A 55 -12.670 -7.511 -3.836 1.00 0.00 O ATOM 878 CB ARG A 55 -14.305 -9.866 -2.856 1.00 0.00 C ATOM 879 CG ARG A 55 -15.557 -10.656 -2.508 1.00 0.00 C ATOM 880 CD ARG A 55 -15.604 -12.002 -3.203 1.00 0.00 C ATOM 881 NE ARG A 55 -14.735 -12.991 -2.580 1.00 0.00 N ATOM 882 CZ ARG A 55 -14.691 -14.265 -2.955 1.00 0.00 C ATOM 883 NH1 ARG A 55 -15.402 -14.673 -3.998 1.00 0.00 N ATOM 884 NH2 ARG A 55 -13.928 -15.124 -2.297 1.00 0.00 N ATOM 0 H ARG A 55 -15.456 -7.935 -4.250 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.666 -8.330 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.106 -9.953 -3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.448 -10.295 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.600 -10.806 -1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.438 -10.076 -2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.629 -12.372 -3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.315 -11.877 -4.246 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.129 -12.690 -1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.982 -14.009 -4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.369 -15.651 -4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.373 -14.808 -1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.895 -16.102 -2.586 1.00 0.00 H new ATOM 898 N PRO A 56 -12.604 -7.043 -1.624 1.00 0.00 N ATOM 899 CA PRO A 56 -11.401 -6.196 -1.658 1.00 0.00 C ATOM 900 C PRO A 56 -10.221 -6.820 -2.398 1.00 0.00 C ATOM 901 O PRO A 56 -9.968 -8.023 -2.299 1.00 0.00 O ATOM 902 CB PRO A 56 -11.053 -6.019 -0.180 1.00 0.00 C ATOM 903 CG PRO A 56 -12.344 -6.185 0.540 1.00 0.00 C ATOM 904 CD PRO A 56 -13.148 -7.170 -0.262 1.00 0.00 C ATOM 0 HA PRO A 56 -11.597 -5.269 -2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.322 -6.759 0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.619 -5.037 0.009 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.180 -6.550 1.554 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.868 -5.233 0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.035 -8.184 0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.212 -6.935 -0.233 1.00 0.00 H new ATOM 912 N PHE A 57 -9.493 -5.981 -3.122 1.00 0.00 N ATOM 913 CA PHE A 57 -8.337 -6.416 -3.889 1.00 0.00 C ATOM 914 C PHE A 57 -7.109 -5.618 -3.474 1.00 0.00 C ATOM 915 O PHE A 57 -7.206 -4.441 -3.150 1.00 0.00 O ATOM 916 CB PHE A 57 -8.599 -6.250 -5.393 1.00 0.00 C ATOM 917 CG PHE A 57 -9.719 -7.113 -5.911 1.00 0.00 C ATOM 918 CD1 PHE A 57 -10.880 -6.550 -6.434 1.00 0.00 C ATOM 919 CD2 PHE A 57 -9.613 -8.493 -5.871 1.00 0.00 C ATOM 920 CE1 PHE A 57 -11.903 -7.351 -6.902 1.00 0.00 C ATOM 921 CE2 PHE A 57 -10.635 -9.297 -6.338 1.00 0.00 C ATOM 922 CZ PHE A 57 -11.780 -8.725 -6.854 1.00 0.00 C ATOM 0 H PHE A 57 -9.688 -4.982 -3.193 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.157 -7.472 -3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.832 -5.205 -5.599 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.687 -6.487 -5.940 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.982 -5.476 -6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.719 -8.947 -5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -12.799 -6.903 -7.305 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.538 -10.372 -6.299 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.579 -9.352 -7.220 1.00 0.00 H new ATOM 932 N GLU A 58 -5.960 -6.260 -3.455 1.00 0.00 N ATOM 933 CA GLU A 58 -4.719 -5.588 -3.108 1.00 0.00 C ATOM 934 C GLU A 58 -3.896 -5.329 -4.361 1.00 0.00 C ATOM 935 O GLU A 58 -3.812 -6.187 -5.235 1.00 0.00 O ATOM 936 CB GLU A 58 -3.916 -6.434 -2.121 1.00 0.00 C ATOM 937 CG GLU A 58 -4.645 -6.702 -0.817 1.00 0.00 C ATOM 938 CD GLU A 58 -3.838 -7.564 0.128 1.00 0.00 C ATOM 939 OE1 GLU A 58 -2.923 -7.030 0.788 1.00 0.00 O ATOM 940 OE2 GLU A 58 -4.116 -8.780 0.217 1.00 0.00 O ATOM 0 H GLU A 58 -5.856 -7.250 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.959 -4.634 -2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.666 -7.386 -2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.975 -5.929 -1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.876 -5.754 -0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.595 -7.192 -1.029 1.00 0.00 H new ATOM 947 N ALA A 59 -3.305 -4.152 -4.458 1.00 0.00 N ATOM 948 CA ALA A 59 -2.496 -3.812 -5.616 1.00 0.00 C ATOM 949 C ALA A 59 -1.015 -3.806 -5.271 1.00 0.00 C ATOM 950 O ALA A 59 -0.567 -3.028 -4.426 1.00 0.00 O ATOM 951 CB ALA A 59 -2.913 -2.461 -6.177 1.00 0.00 C ATOM 0 H ALA A 59 -3.369 -3.418 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.662 -4.576 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.297 -2.221 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.961 -2.499 -6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.780 -1.694 -5.414 1.00 0.00 H new ATOM 957 N ARG A 60 -0.266 -4.697 -5.908 1.00 0.00 N ATOM 958 CA ARG A 60 1.184 -4.709 -5.782 1.00 0.00 C ATOM 959 C ARG A 60 1.825 -4.126 -7.030 1.00 0.00 C ATOM 960 O ARG A 60 1.808 -4.749 -8.092 1.00 0.00 O ATOM 961 CB ARG A 60 1.717 -6.127 -5.559 1.00 0.00 C ATOM 962 CG ARG A 60 1.858 -6.516 -4.096 1.00 0.00 C ATOM 963 CD ARG A 60 2.617 -7.825 -3.953 1.00 0.00 C ATOM 964 NE ARG A 60 2.947 -8.127 -2.563 1.00 0.00 N ATOM 965 CZ ARG A 60 3.951 -8.926 -2.190 1.00 0.00 C ATOM 966 NH1 ARG A 60 4.758 -9.472 -3.095 1.00 0.00 N ATOM 967 NH2 ARG A 60 4.154 -9.158 -0.901 1.00 0.00 N ATOM 0 H ARG A 60 -0.641 -5.423 -6.519 1.00 0.00 H new ATOM 0 HA ARG A 60 1.441 -4.101 -4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.049 -6.836 -6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.689 -6.218 -6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.380 -5.727 -3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.871 -6.612 -3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.018 -8.636 -4.366 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.535 -7.776 -4.539 1.00 0.00 H new ATOM 0 HE ARG A 60 2.376 -7.702 -1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.614 -9.283 -4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.521 -10.080 -2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.546 -8.728 -0.204 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.918 -9.766 -0.606 1.00 0.00 H new ATOM 981 N LEU A 61 2.365 -2.927 -6.905 1.00 0.00 N ATOM 982 CA LEU A 61 3.061 -2.291 -8.011 1.00 0.00 C ATOM 983 C LEU A 61 4.565 -2.336 -7.776 1.00 0.00 C ATOM 984 O LEU A 61 5.101 -1.578 -6.963 1.00 0.00 O ATOM 985 CB LEU A 61 2.601 -0.840 -8.174 1.00 0.00 C ATOM 986 CG LEU A 61 1.105 -0.652 -8.442 1.00 0.00 C ATOM 987 CD1 LEU A 61 0.758 0.827 -8.523 1.00 0.00 C ATOM 988 CD2 LEU A 61 0.699 -1.359 -9.725 1.00 0.00 C ATOM 0 H LEU A 61 2.335 -2.373 -6.049 1.00 0.00 H new ATOM 0 HA LEU A 61 2.826 -2.835 -8.926 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.863 -0.290 -7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.159 -0.390 -8.995 1.00 0.00 H new ATOM 0 HG LEU A 61 0.552 -1.093 -7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.309 0.940 -8.714 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.012 1.312 -7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.323 1.289 -9.333 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.367 -1.214 -9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.262 -0.946 -10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.911 -2.425 -9.636 1.00 0.00 H new ATOM 1000 N TYR A 62 5.236 -3.245 -8.466 1.00 0.00 N ATOM 1001 CA TYR A 62 6.678 -3.381 -8.341 1.00 0.00 C ATOM 1002 C TYR A 62 7.374 -2.335 -9.194 1.00 0.00 C ATOM 1003 O TYR A 62 7.381 -2.427 -10.424 1.00 0.00 O ATOM 1004 CB TYR A 62 7.138 -4.776 -8.769 1.00 0.00 C ATOM 1005 CG TYR A 62 6.535 -5.905 -7.963 1.00 0.00 C ATOM 1006 CD1 TYR A 62 7.241 -6.498 -6.925 1.00 0.00 C ATOM 1007 CD2 TYR A 62 5.264 -6.383 -8.250 1.00 0.00 C ATOM 1008 CE1 TYR A 62 6.694 -7.534 -6.192 1.00 0.00 C ATOM 1009 CE2 TYR A 62 4.710 -7.413 -7.522 1.00 0.00 C ATOM 1010 CZ TYR A 62 5.428 -7.987 -6.497 1.00 0.00 C ATOM 1011 OH TYR A 62 4.873 -9.016 -5.775 1.00 0.00 O ATOM 0 H TYR A 62 4.805 -3.900 -9.118 1.00 0.00 H new ATOM 0 HA TYR A 62 6.941 -3.235 -7.293 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.888 -4.922 -9.820 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.224 -4.828 -8.689 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.233 -6.144 -6.687 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.700 -5.940 -9.057 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.254 -7.985 -5.386 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.717 -7.769 -7.754 1.00 0.00 H new ATOM 0 HH TYR A 62 4.042 -9.307 -6.206 1.00 0.00 H new ATOM 1021 N LEU A 63 7.939 -1.334 -8.543 1.00 0.00 N ATOM 1022 CA LEU A 63 8.641 -0.273 -9.248 1.00 0.00 C ATOM 1023 C LEU A 63 10.145 -0.482 -9.133 1.00 0.00 C ATOM 1024 O LEU A 63 10.923 -0.004 -9.963 1.00 0.00 O ATOM 1025 CB LEU A 63 8.243 1.090 -8.674 1.00 0.00 C ATOM 1026 CG LEU A 63 8.809 2.307 -9.409 1.00 0.00 C ATOM 1027 CD1 LEU A 63 8.285 2.364 -10.837 1.00 0.00 C ATOM 1028 CD2 LEU A 63 8.459 3.585 -8.663 1.00 0.00 C ATOM 0 H LEU A 63 7.926 -1.232 -7.528 1.00 0.00 H new ATOM 0 HA LEU A 63 8.365 -0.299 -10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.155 1.161 -8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.565 1.134 -7.634 1.00 0.00 H new ATOM 0 HG LEU A 63 9.894 2.212 -9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.699 3.237 -11.342 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.582 1.461 -11.370 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.197 2.435 -10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.868 4.442 -9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.375 3.682 -8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.882 3.548 -7.659 1.00 0.00 H new ATOM 1040 N GLY A 64 10.539 -1.213 -8.100 1.00 0.00 N ATOM 1041 CA GLY A 64 11.933 -1.512 -7.874 1.00 0.00 C ATOM 1042 C GLY A 64 12.091 -2.716 -6.974 1.00 0.00 C ATOM 1043 O GLY A 64 11.158 -3.505 -6.828 1.00 0.00 O ATOM 0 H GLY A 64 9.905 -1.608 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.427 -1.699 -8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.425 -0.650 -7.423 1.00 0.00 H new ATOM 1047 N LEU A 65 13.253 -2.847 -6.350 1.00 0.00 N ATOM 1048 CA LEU A 65 13.520 -3.975 -5.470 1.00 0.00 C ATOM 1049 C LEU A 65 12.930 -3.714 -4.088 1.00 0.00 C ATOM 1050 O LEU A 65 12.320 -4.596 -3.485 1.00 0.00 O ATOM 1051 CB LEU A 65 15.028 -4.230 -5.367 1.00 0.00 C ATOM 1052 CG LEU A 65 15.425 -5.487 -4.588 1.00 0.00 C ATOM 1053 CD1 LEU A 65 14.842 -6.730 -5.247 1.00 0.00 C ATOM 1054 CD2 LEU A 65 16.940 -5.595 -4.486 1.00 0.00 C ATOM 0 H LEU A 65 14.025 -2.186 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 65 13.049 -4.864 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.438 -4.302 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.495 -3.366 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 65 15.018 -5.411 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.134 -7.614 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.755 -6.655 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 65 15.219 -6.812 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 65 17.204 -6.494 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.369 -5.649 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 65 17.333 -4.720 -3.969 1.00 0.00 H new ATOM 1066 N ASP A 66 13.109 -2.494 -3.596 1.00 0.00 N ATOM 1067 CA ASP A 66 12.555 -2.105 -2.302 1.00 0.00 C ATOM 1068 C ASP A 66 11.340 -1.208 -2.490 1.00 0.00 C ATOM 1069 O ASP A 66 10.568 -0.984 -1.556 1.00 0.00 O ATOM 1070 CB ASP A 66 13.608 -1.388 -1.444 1.00 0.00 C ATOM 1071 CG ASP A 66 13.950 0.000 -1.953 1.00 0.00 C ATOM 1072 OD1 ASP A 66 14.677 0.106 -2.966 1.00 0.00 O ATOM 1073 OD2 ASP A 66 13.521 0.995 -1.331 1.00 0.00 O ATOM 0 H ASP A 66 13.632 -1.758 -4.071 1.00 0.00 H new ATOM 0 HA ASP A 66 12.248 -3.013 -1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.243 -1.312 -0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.515 -1.991 -1.415 1.00 0.00 H new ATOM 1078 N VAL A 67 11.159 -0.710 -3.708 1.00 0.00 N ATOM 1079 CA VAL A 67 10.057 0.188 -3.998 1.00 0.00 C ATOM 1080 C VAL A 67 8.834 -0.596 -4.455 1.00 0.00 C ATOM 1081 O VAL A 67 8.628 -0.824 -5.650 1.00 0.00 O ATOM 1082 CB VAL A 67 10.432 1.240 -5.066 1.00 0.00 C ATOM 1083 CG1 VAL A 67 9.310 2.252 -5.237 1.00 0.00 C ATOM 1084 CG2 VAL A 67 11.732 1.942 -4.700 1.00 0.00 C ATOM 0 H VAL A 67 11.761 -0.914 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 67 9.824 0.717 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 67 10.578 0.724 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.593 2.984 -5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.401 1.738 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.130 2.760 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.976 2.678 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.617 2.443 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.535 1.208 -4.633 1.00 0.00 H new ATOM 1094 N LEU A 68 8.051 -1.044 -3.489 1.00 0.00 N ATOM 1095 CA LEU A 68 6.815 -1.747 -3.770 1.00 0.00 C ATOM 1096 C LEU A 68 5.630 -0.876 -3.390 1.00 0.00 C ATOM 1097 O LEU A 68 5.455 -0.523 -2.221 1.00 0.00 O ATOM 1098 CB LEU A 68 6.764 -3.072 -3.006 1.00 0.00 C ATOM 1099 CG LEU A 68 5.477 -3.882 -3.187 1.00 0.00 C ATOM 1100 CD1 LEU A 68 5.302 -4.298 -4.638 1.00 0.00 C ATOM 1101 CD2 LEU A 68 5.487 -5.105 -2.283 1.00 0.00 C ATOM 0 H LEU A 68 8.253 -0.931 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 68 6.771 -1.965 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.608 -3.686 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.898 -2.866 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 68 4.634 -3.250 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.382 -4.872 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.250 -3.410 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.149 -4.911 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.565 -5.669 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.340 -5.735 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.563 -4.788 -1.243 1.00 0.00 H new ATOM 1113 N ILE A 69 4.841 -0.506 -4.381 1.00 0.00 N ATOM 1114 CA ILE A 69 3.653 0.290 -4.141 1.00 0.00 C ATOM 1115 C ILE A 69 2.497 -0.616 -3.741 1.00 0.00 C ATOM 1116 O ILE A 69 1.925 -1.317 -4.575 1.00 0.00 O ATOM 1117 CB ILE A 69 3.259 1.119 -5.383 1.00 0.00 C ATOM 1118 CG1 ILE A 69 4.444 1.968 -5.850 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.055 2.004 -5.074 1.00 0.00 C ATOM 1120 CD1 ILE A 69 4.172 2.746 -7.120 1.00 0.00 C ATOM 0 H ILE A 69 5.002 -0.744 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 69 3.876 0.985 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 69 2.984 0.435 -6.186 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.714 2.666 -5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.305 1.318 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.791 2.581 -5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.210 1.380 -4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.303 2.684 -4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.056 3.324 -7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.932 2.053 -7.927 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.332 3.422 -6.960 1.00 0.00 H new ATOM 1132 N ARG A 70 2.187 -0.618 -2.457 1.00 0.00 N ATOM 1133 CA ARG A 70 1.113 -1.437 -1.920 1.00 0.00 C ATOM 1134 C ARG A 70 -0.075 -0.569 -1.527 1.00 0.00 C ATOM 1135 O ARG A 70 0.000 0.218 -0.581 1.00 0.00 O ATOM 1136 CB ARG A 70 1.595 -2.229 -0.700 1.00 0.00 C ATOM 1137 CG ARG A 70 0.464 -2.876 0.087 1.00 0.00 C ATOM 1138 CD ARG A 70 0.936 -3.359 1.446 1.00 0.00 C ATOM 1139 NE ARG A 70 -0.172 -3.462 2.395 1.00 0.00 N ATOM 1140 CZ ARG A 70 -0.316 -2.659 3.451 1.00 0.00 C ATOM 1141 NH1 ARG A 70 0.607 -1.741 3.722 1.00 0.00 N ATOM 1142 NH2 ARG A 70 -1.383 -2.772 4.235 1.00 0.00 N ATOM 0 H ARG A 70 2.671 -0.054 -1.758 1.00 0.00 H new ATOM 0 HA ARG A 70 0.803 -2.136 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.288 -3.003 -1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.152 -1.563 -0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.347 -2.159 0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.060 -3.716 -0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.417 -4.331 1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.687 -2.672 1.836 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.873 -4.187 2.241 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.427 -1.650 3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.495 -1.128 4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.094 -3.474 4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.491 -2.157 5.042 1.00 0.00 H new ATOM 1156 N MET A 71 -1.157 -0.700 -2.263 1.00 0.00 N ATOM 1157 CA MET A 71 -2.392 -0.020 -1.918 1.00 0.00 C ATOM 1158 C MET A 71 -3.538 -1.016 -1.937 1.00 0.00 C ATOM 1159 O MET A 71 -3.623 -1.856 -2.831 1.00 0.00 O ATOM 1160 CB MET A 71 -2.684 1.144 -2.875 1.00 0.00 C ATOM 1161 CG MET A 71 -2.836 0.728 -4.331 1.00 0.00 C ATOM 1162 SD MET A 71 -3.435 2.065 -5.385 1.00 0.00 S ATOM 1163 CE MET A 71 -2.152 3.294 -5.163 1.00 0.00 C ATOM 0 H MET A 71 -1.209 -1.272 -3.106 1.00 0.00 H new ATOM 0 HA MET A 71 -2.284 0.399 -0.918 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.598 1.644 -2.554 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.878 1.874 -2.799 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.874 0.380 -4.706 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.526 -0.114 -4.393 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.259 4.072 -5.918 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.240 3.737 -4.171 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.175 2.822 -5.264 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.399 -0.945 -0.938 1.00 0.00 N ATOM 1174 CA GLU A 72 -5.538 -1.841 -0.870 1.00 0.00 C ATOM 1175 C GLU A 72 -6.747 -1.151 -1.483 1.00 0.00 C ATOM 1176 O GLU A 72 -7.214 -0.122 -0.986 1.00 0.00 O ATOM 1177 CB GLU A 72 -5.794 -2.263 0.575 1.00 0.00 C ATOM 1178 CG GLU A 72 -4.580 -2.911 1.225 1.00 0.00 C ATOM 1179 CD GLU A 72 -4.767 -3.184 2.703 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -5.779 -2.733 3.275 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -3.885 -3.835 3.307 1.00 0.00 O ATOM 0 H GLU A 72 -4.332 -0.280 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.335 -2.749 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.089 -1.390 1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.631 -2.961 0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.360 -3.848 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.714 -2.263 1.089 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.232 -1.711 -2.573 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.219 -1.054 -3.409 1.00 0.00 C ATOM 1190 C ILE A 73 -9.541 -1.812 -3.420 1.00 0.00 C ATOM 1191 O ILE A 73 -9.585 -3.022 -3.199 1.00 0.00 O ATOM 1192 CB ILE A 73 -7.692 -0.920 -4.854 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.175 -2.275 -5.359 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -6.594 0.132 -4.921 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.525 -2.221 -6.724 1.00 0.00 C ATOM 0 H ILE A 73 -6.954 -2.634 -2.905 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.396 -0.064 -2.988 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.512 -0.602 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.454 -2.667 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.007 -2.979 -5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.232 0.215 -5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.991 1.094 -4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.771 -0.159 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.188 -3.218 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.247 -1.861 -7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.671 -1.544 -6.694 1.00 0.00 H new ATOM 1207 N SER A 74 -10.619 -1.091 -3.666 1.00 0.00 N ATOM 1208 CA SER A 74 -11.928 -1.697 -3.773 1.00 0.00 C ATOM 1209 C SER A 74 -12.446 -1.542 -5.195 1.00 0.00 C ATOM 1210 O SER A 74 -12.586 -0.425 -5.690 1.00 0.00 O ATOM 1211 CB SER A 74 -12.882 -1.056 -2.763 1.00 0.00 C ATOM 1212 OG SER A 74 -12.759 0.357 -2.775 1.00 0.00 O ATOM 0 H SER A 74 -10.611 -0.079 -3.796 1.00 0.00 H new ATOM 0 HA SER A 74 -11.861 -2.761 -3.546 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.909 -1.337 -2.997 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.668 -1.435 -1.764 1.00 0.00 H new ATOM 0 HG SER A 74 -13.379 0.745 -2.123 1.00 0.00 H new ATOM 1218 N LEU A 75 -12.689 -2.660 -5.863 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.153 -2.638 -7.241 1.00 0.00 C ATOM 1220 C LEU A 75 -14.456 -1.855 -7.356 1.00 0.00 C ATOM 1221 O LEU A 75 -15.479 -2.245 -6.798 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.326 -4.065 -7.763 1.00 0.00 C ATOM 1223 CG LEU A 75 -13.802 -4.178 -9.211 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -12.835 -3.487 -10.162 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -13.977 -5.634 -9.601 1.00 0.00 C ATOM 0 H LEU A 75 -12.572 -3.595 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.404 -2.136 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.373 -4.586 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.038 -4.585 -7.122 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.767 -3.677 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.199 -3.584 -11.185 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.761 -2.431 -9.901 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.852 -3.951 -10.082 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.316 -5.695 -10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.025 -6.155 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.716 -6.099 -8.948 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.398 -0.740 -8.072 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.539 0.149 -8.191 1.00 0.00 C ATOM 1239 C ALA A 76 -16.386 -0.217 -9.399 1.00 0.00 C ATOM 1240 O ALA A 76 -17.602 -0.385 -9.288 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.070 1.594 -8.287 1.00 0.00 C ATOM 0 H ALA A 76 -13.569 -0.432 -8.580 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.156 0.039 -7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.934 2.252 -8.376 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.507 1.854 -7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.432 1.712 -9.163 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.742 -0.349 -10.550 1.00 0.00 N ATOM 1248 CA TRP A 77 -16.441 -0.687 -11.777 1.00 0.00 C ATOM 1249 C TRP A 77 -15.572 -1.571 -12.662 1.00 0.00 C ATOM 1250 O TRP A 77 -14.344 -1.457 -12.659 1.00 0.00 O ATOM 1251 CB TRP A 77 -16.863 0.582 -12.531 1.00 0.00 C ATOM 1252 CG TRP A 77 -15.722 1.480 -12.917 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.159 2.466 -12.158 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -15.011 1.477 -14.163 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -14.143 3.075 -12.854 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.032 2.485 -14.085 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -15.106 0.718 -15.334 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -13.157 2.754 -15.133 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -14.236 0.987 -16.373 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -13.272 1.995 -16.266 1.00 0.00 C ATOM 0 H TRP A 77 -14.735 -0.227 -10.658 1.00 0.00 H new ATOM 0 HA TRP A 77 -17.341 -1.242 -11.514 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -17.403 0.292 -13.432 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.559 1.145 -11.910 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -15.467 2.729 -11.157 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -13.565 3.842 -12.510 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -15.846 -0.064 -15.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -12.414 3.534 -15.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -14.301 0.409 -17.283 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -12.604 2.178 -17.095 1.00 0.00 H new ATOM 1271 N ALA A 78 -16.212 -2.459 -13.403 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.511 -3.361 -14.301 1.00 0.00 C ATOM 1273 C ALA A 78 -16.326 -3.590 -15.564 1.00 0.00 C ATOM 1274 O ALA A 78 -17.405 -4.179 -15.512 1.00 0.00 O ATOM 1275 CB ALA A 78 -15.231 -4.684 -13.602 1.00 0.00 C ATOM 0 H ALA A 78 -17.225 -2.575 -13.400 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.561 -2.907 -14.582 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.705 -5.352 -14.284 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.614 -4.507 -12.721 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.173 -5.142 -13.299 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.821 -3.113 -16.695 1.00 0.00 N ATOM 1282 CA ARG A 79 -16.529 -3.261 -17.960 1.00 0.00 C ATOM 1283 C ARG A 79 -15.573 -3.175 -19.138 1.00 0.00 C ATOM 1284 O ARG A 79 -14.591 -2.434 -19.097 1.00 0.00 O ATOM 1285 CB ARG A 79 -17.614 -2.189 -18.111 1.00 0.00 C ATOM 1286 CG ARG A 79 -17.078 -0.765 -18.155 1.00 0.00 C ATOM 1287 CD ARG A 79 -18.182 0.237 -18.448 1.00 0.00 C ATOM 1288 NE ARG A 79 -18.807 0.004 -19.752 1.00 0.00 N ATOM 1289 CZ ARG A 79 -20.016 0.453 -20.089 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -20.715 1.201 -19.243 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -20.518 0.175 -21.285 1.00 0.00 N ATOM 0 H ARG A 79 -14.929 -2.623 -16.762 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.996 -4.246 -17.954 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -18.176 -2.383 -19.024 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -18.315 -2.277 -17.281 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.609 -0.522 -17.202 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.305 -0.690 -18.919 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.941 0.178 -17.667 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.772 1.246 -18.418 1.00 0.00 H new ATOM 0 HE ARG A 79 -18.286 -0.534 -20.444 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -20.327 1.435 -18.329 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -21.640 1.541 -19.507 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -19.979 -0.383 -21.947 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.443 0.519 -21.542 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.861 -3.964 -20.171 1.00 0.00 N ATOM 1306 CA ASP A 80 -15.165 -3.878 -21.458 1.00 0.00 C ATOM 1307 C ASP A 80 -13.667 -4.129 -21.320 1.00 0.00 C ATOM 1308 O ASP A 80 -12.877 -3.699 -22.161 1.00 0.00 O ATOM 1309 CB ASP A 80 -15.414 -2.509 -22.102 1.00 0.00 C ATOM 1310 CG ASP A 80 -16.888 -2.243 -22.338 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -17.456 -1.347 -21.678 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -17.496 -2.941 -23.175 1.00 0.00 O ATOM 0 H ASP A 80 -16.584 -4.683 -20.142 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.568 -4.661 -22.100 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.004 -1.729 -21.461 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.881 -2.454 -23.051 1.00 0.00 H new ATOM 1317 N GLY A 81 -13.282 -4.845 -20.274 1.00 0.00 N ATOM 1318 CA GLY A 81 -11.881 -5.150 -20.061 1.00 0.00 C ATOM 1319 C GLY A 81 -11.213 -4.191 -19.094 1.00 0.00 C ATOM 1320 O GLY A 81 -10.162 -4.499 -18.530 1.00 0.00 O ATOM 0 H GLY A 81 -13.915 -5.221 -19.568 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.789 -6.167 -19.680 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.357 -5.119 -21.017 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.824 -3.033 -18.895 1.00 0.00 N ATOM 1325 CA LEU A 82 -11.264 -2.014 -18.021 1.00 0.00 C ATOM 1326 C LEU A 82 -11.698 -2.239 -16.580 1.00 0.00 C ATOM 1327 O LEU A 82 -12.886 -2.413 -16.294 1.00 0.00 O ATOM 1328 CB LEU A 82 -11.688 -0.617 -18.483 1.00 0.00 C ATOM 1329 CG LEU A 82 -11.183 -0.203 -19.866 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -11.722 1.168 -20.242 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -9.660 -0.202 -19.898 1.00 0.00 C ATOM 0 H LEU A 82 -12.711 -2.775 -19.329 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.178 -2.087 -18.072 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -12.777 -0.567 -18.482 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -11.335 0.111 -17.753 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.544 -0.928 -20.596 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.352 1.446 -21.229 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.812 1.139 -20.258 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.389 1.903 -19.509 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.317 0.095 -20.889 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.281 0.502 -19.157 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.291 -1.202 -19.671 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.730 -2.247 -15.680 1.00 0.00 N ATOM 1344 CA LEU A 83 -10.997 -2.444 -14.268 1.00 0.00 C ATOM 1345 C LEU A 83 -10.647 -1.186 -13.486 1.00 0.00 C ATOM 1346 O LEU A 83 -9.472 -0.833 -13.357 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.185 -3.626 -13.736 1.00 0.00 C ATOM 1348 CG LEU A 83 -10.415 -4.959 -14.451 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -9.462 -6.020 -13.922 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -11.855 -5.409 -14.280 1.00 0.00 C ATOM 0 H LEU A 83 -9.744 -2.118 -15.906 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.059 -2.657 -14.142 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.126 -3.376 -13.803 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.416 -3.756 -12.679 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.218 -4.818 -15.514 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.640 -6.961 -14.442 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.433 -5.702 -14.090 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.629 -6.159 -12.854 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.003 -6.359 -14.794 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.074 -5.533 -13.219 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.523 -4.659 -14.703 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.667 -0.513 -12.973 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.452 0.701 -12.214 1.00 0.00 C ATOM 1364 C GLY A 84 -11.615 0.473 -10.728 1.00 0.00 C ATOM 1365 O GLY A 84 -12.714 0.173 -10.253 1.00 0.00 O ATOM 0 H GLY A 84 -12.644 -0.788 -13.070 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.451 1.082 -12.415 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.156 1.465 -12.544 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.523 0.594 -9.994 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.551 0.380 -8.556 1.00 0.00 C ATOM 1371 C PHE A 85 -10.493 1.705 -7.817 1.00 0.00 C ATOM 1372 O PHE A 85 -9.780 2.627 -8.223 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.382 -0.498 -8.104 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.351 -1.868 -8.724 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -9.778 -2.972 -8.007 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -8.882 -2.056 -10.015 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -9.738 -4.236 -8.562 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -8.846 -3.318 -10.574 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.271 -4.410 -9.848 1.00 0.00 C ATOM 0 H PHE A 85 -9.606 0.839 -10.368 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.486 -0.128 -8.321 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.449 0.014 -8.339 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.423 -0.605 -7.020 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.147 -2.843 -7.000 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -8.541 -1.207 -10.589 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.072 -5.088 -7.989 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.484 -3.450 -11.583 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.238 -5.397 -10.284 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.249 1.787 -6.740 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.219 2.932 -5.855 1.00 0.00 C ATOM 1391 C GLU A 86 -10.122 2.715 -4.822 1.00 0.00 C ATOM 1392 O GLU A 86 -10.074 1.663 -4.179 1.00 0.00 O ATOM 1393 CB GLU A 86 -12.580 3.079 -5.167 1.00 0.00 C ATOM 1394 CG GLU A 86 -12.704 4.297 -4.266 1.00 0.00 C ATOM 1395 CD GLU A 86 -14.031 4.334 -3.536 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -14.078 3.940 -2.351 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -15.041 4.742 -4.147 1.00 0.00 O ATOM 0 H GLU A 86 -11.903 1.058 -6.454 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.014 3.843 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.356 3.128 -5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.772 2.184 -4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.891 4.294 -3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.594 5.202 -4.864 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.225 3.677 -4.684 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.134 3.548 -3.733 1.00 0.00 C ATOM 1406 C CYS A 87 -8.674 3.681 -2.312 1.00 0.00 C ATOM 1407 O CYS A 87 -8.949 4.784 -1.834 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.048 4.586 -4.007 1.00 0.00 C ATOM 1409 SG CYS A 87 -5.406 4.080 -3.449 1.00 0.00 S ATOM 0 H CYS A 87 -9.230 4.549 -5.213 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.681 2.563 -3.845 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.012 4.788 -5.077 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.318 5.520 -3.515 1.00 0.00 H new ATOM 0 HG CYS A 87 -4.798 3.446 -4.407 1.00 0.00 H new ATOM 1415 N GLN A 88 -8.840 2.544 -1.653 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.504 2.497 -0.365 1.00 0.00 C ATOM 1417 C GLN A 88 -8.523 2.789 0.759 1.00 0.00 C ATOM 1418 O GLN A 88 -8.677 3.758 1.502 1.00 0.00 O ATOM 1419 CB GLN A 88 -10.143 1.122 -0.158 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.276 1.117 0.856 1.00 0.00 C ATOM 1421 CD GLN A 88 -12.554 1.725 0.306 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -13.657 1.347 0.707 1.00 0.00 O ATOM 1423 NE2 GLN A 88 -12.419 2.655 -0.630 1.00 0.00 N ATOM 0 H GLN A 88 -8.521 1.637 -1.994 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.281 3.261 -0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.522 0.760 -1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.375 0.420 0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.472 0.092 1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.967 1.670 1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.488 2.941 -0.935 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.246 3.085 -1.045 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.521 1.942 0.877 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.511 2.082 1.908 1.00 0.00 C ATOM 1434 C HIS A 89 -5.150 2.290 1.259 1.00 0.00 C ATOM 1435 O HIS A 89 -4.504 1.337 0.817 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.535 0.843 2.823 1.00 0.00 C ATOM 1437 CG HIS A 89 -5.385 0.711 3.787 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -5.108 -0.463 4.450 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -4.461 1.603 4.213 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -4.073 -0.287 5.247 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -3.659 0.959 5.124 1.00 0.00 N ATOM 0 H HIS A 89 -7.383 1.139 0.263 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.719 2.954 2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.463 0.856 3.395 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.561 -0.047 2.195 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -5.625 -1.336 4.341 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.371 2.631 3.896 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -3.638 -1.036 5.892 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.737 3.545 1.183 1.00 0.00 N ATOM 1451 CA ILE A 90 -3.447 3.893 0.617 1.00 0.00 C ATOM 1452 C ILE A 90 -2.415 3.947 1.729 1.00 0.00 C ATOM 1453 O ILE A 90 -2.504 4.787 2.623 1.00 0.00 O ATOM 1454 CB ILE A 90 -3.471 5.259 -0.097 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -4.885 5.590 -0.594 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -2.480 5.251 -1.257 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -5.004 6.965 -1.222 1.00 0.00 C ATOM 0 H ILE A 90 -5.282 4.343 1.509 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.196 3.131 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.178 6.032 0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.189 4.839 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.580 5.521 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.500 6.218 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.476 5.060 -0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.755 4.469 -1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.031 7.128 -1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.732 7.725 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.335 7.032 -2.080 1.00 0.00 H new ATOM 1469 N ASP A 91 -1.453 3.042 1.688 1.00 0.00 N ATOM 1470 CA ASP A 91 -0.438 2.979 2.727 1.00 0.00 C ATOM 1471 C ASP A 91 0.516 4.162 2.603 1.00 0.00 C ATOM 1472 O ASP A 91 0.832 4.594 1.494 1.00 0.00 O ATOM 1473 CB ASP A 91 0.332 1.661 2.646 1.00 0.00 C ATOM 1474 CG ASP A 91 1.295 1.481 3.801 1.00 0.00 C ATOM 1475 OD1 ASP A 91 0.868 0.987 4.866 1.00 0.00 O ATOM 1476 OD2 ASP A 91 2.484 1.823 3.646 1.00 0.00 O ATOM 0 H ASP A 91 -1.353 2.344 0.951 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.931 3.028 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.375 0.831 2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 91 0.884 1.624 1.707 1.00 0.00 H new ATOM 1481 N LEU A 92 0.955 4.678 3.747 1.00 0.00 N ATOM 1482 CA LEU A 92 1.821 5.859 3.807 1.00 0.00 C ATOM 1483 C LEU A 92 3.074 5.687 2.951 1.00 0.00 C ATOM 1484 O LEU A 92 3.551 6.641 2.335 1.00 0.00 O ATOM 1485 CB LEU A 92 2.232 6.164 5.255 1.00 0.00 C ATOM 1486 CG LEU A 92 1.157 6.805 6.143 1.00 0.00 C ATOM 1487 CD1 LEU A 92 -0.008 5.854 6.381 1.00 0.00 C ATOM 1488 CD2 LEU A 92 1.765 7.241 7.468 1.00 0.00 C ATOM 0 H LEU A 92 0.722 4.291 4.662 1.00 0.00 H new ATOM 0 HA LEU A 92 1.244 6.694 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.553 5.234 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.098 6.826 5.233 1.00 0.00 H new ATOM 0 HG LEU A 92 0.769 7.681 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.751 6.340 7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.462 5.589 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.354 4.952 6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.994 7.695 8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.181 6.374 7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.556 7.968 7.284 1.00 0.00 H new ATOM 1500 N ASP A 93 3.590 4.469 2.900 1.00 0.00 N ATOM 1501 CA ASP A 93 4.785 4.180 2.120 1.00 0.00 C ATOM 1502 C ASP A 93 4.501 4.355 0.634 1.00 0.00 C ATOM 1503 O ASP A 93 5.323 4.881 -0.119 1.00 0.00 O ATOM 1504 CB ASP A 93 5.258 2.757 2.402 1.00 0.00 C ATOM 1505 CG ASP A 93 6.560 2.424 1.712 1.00 0.00 C ATOM 1506 OD1 ASP A 93 7.557 3.130 1.951 1.00 0.00 O ATOM 1507 OD2 ASP A 93 6.599 1.437 0.942 1.00 0.00 O ATOM 0 H ASP A 93 3.200 3.664 3.390 1.00 0.00 H new ATOM 0 HA ASP A 93 5.571 4.878 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.378 2.626 3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.491 2.053 2.079 1.00 0.00 H new ATOM 1512 N SER A 94 3.318 3.931 0.224 1.00 0.00 N ATOM 1513 CA SER A 94 2.894 4.056 -1.160 1.00 0.00 C ATOM 1514 C SER A 94 2.547 5.501 -1.491 1.00 0.00 C ATOM 1515 O SER A 94 2.668 5.922 -2.642 1.00 0.00 O ATOM 1516 CB SER A 94 1.712 3.133 -1.419 1.00 0.00 C ATOM 1517 OG SER A 94 2.056 1.803 -1.078 1.00 0.00 O ATOM 0 H SER A 94 2.629 3.494 0.836 1.00 0.00 H new ATOM 0 HA SER A 94 3.716 3.760 -1.812 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.851 3.457 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.422 3.185 -2.468 1.00 0.00 H new ATOM 0 HG SER A 94 1.284 1.361 -0.667 1.00 0.00 H new ATOM 1523 N ILE A 95 2.131 6.255 -0.476 1.00 0.00 N ATOM 1524 CA ILE A 95 1.923 7.690 -0.624 1.00 0.00 C ATOM 1525 C ILE A 95 3.220 8.334 -1.090 1.00 0.00 C ATOM 1526 O ILE A 95 3.239 9.117 -2.041 1.00 0.00 O ATOM 1527 CB ILE A 95 1.488 8.352 0.708 1.00 0.00 C ATOM 1528 CG1 ILE A 95 0.212 7.707 1.256 1.00 0.00 C ATOM 1529 CG2 ILE A 95 1.287 9.853 0.523 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -1.005 7.903 0.381 1.00 0.00 C ATOM 0 H ILE A 95 1.932 5.894 0.457 1.00 0.00 H new ATOM 0 HA ILE A 95 1.127 7.839 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 95 2.286 8.194 1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.385 6.639 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.006 8.118 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.982 10.299 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.221 10.307 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.514 10.027 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.865 7.416 0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.207 8.969 0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.822 7.466 -0.601 1.00 0.00 H new ATOM 1542 N SER A 96 4.310 7.956 -0.430 1.00 0.00 N ATOM 1543 CA SER A 96 5.620 8.501 -0.736 1.00 0.00 C ATOM 1544 C SER A 96 6.074 8.043 -2.120 1.00 0.00 C ATOM 1545 O SER A 96 6.579 8.837 -2.910 1.00 0.00 O ATOM 1546 CB SER A 96 6.626 8.062 0.334 1.00 0.00 C ATOM 1547 OG SER A 96 7.863 8.742 0.197 1.00 0.00 O ATOM 0 H SER A 96 4.307 7.270 0.324 1.00 0.00 H new ATOM 0 HA SER A 96 5.562 9.589 -0.739 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.212 8.254 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.791 6.987 0.260 1.00 0.00 H new ATOM 0 HG SER A 96 8.481 8.440 0.895 1.00 0.00 H new ATOM 1553 N HIS A 97 5.858 6.763 -2.417 1.00 0.00 N ATOM 1554 CA HIS A 97 6.276 6.191 -3.695 1.00 0.00 C ATOM 1555 C HIS A 97 5.592 6.886 -4.863 1.00 0.00 C ATOM 1556 O HIS A 97 6.253 7.356 -5.788 1.00 0.00 O ATOM 1557 CB HIS A 97 5.971 4.692 -3.760 1.00 0.00 C ATOM 1558 CG HIS A 97 6.740 3.864 -2.779 1.00 0.00 C ATOM 1559 ND1 HIS A 97 7.995 4.193 -2.325 1.00 0.00 N ATOM 1560 CD2 HIS A 97 6.410 2.711 -2.162 1.00 0.00 C ATOM 1561 CE1 HIS A 97 8.404 3.277 -1.471 1.00 0.00 C ATOM 1562 NE2 HIS A 97 7.460 2.363 -1.349 1.00 0.00 N ATOM 0 H HIS A 97 5.397 6.103 -1.791 1.00 0.00 H new ATOM 0 HA HIS A 97 7.353 6.342 -3.769 1.00 0.00 H new ATOM 0 HB2 HIS A 97 4.905 4.542 -3.587 1.00 0.00 H new ATOM 0 HB3 HIS A 97 6.184 4.333 -4.767 1.00 0.00 H new ATOM 0 HD2 HIS A 97 5.488 2.162 -2.285 1.00 0.00 H new ATOM 0 HE1 HIS A 97 9.354 3.275 -0.957 1.00 0.00 H new ATOM 0 HE2 HIS A 97 7.503 1.537 -0.752 1.00 0.00 H new ATOM 1571 N LEU A 98 4.268 6.949 -4.814 1.00 0.00 N ATOM 1572 CA LEU A 98 3.489 7.501 -5.913 1.00 0.00 C ATOM 1573 C LEU A 98 3.788 8.983 -6.108 1.00 0.00 C ATOM 1574 O LEU A 98 4.097 9.421 -7.218 1.00 0.00 O ATOM 1575 CB LEU A 98 1.993 7.294 -5.660 1.00 0.00 C ATOM 1576 CG LEU A 98 1.064 7.764 -6.784 1.00 0.00 C ATOM 1577 CD1 LEU A 98 1.339 6.995 -8.069 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -0.393 7.606 -6.370 1.00 0.00 C ATOM 0 H LEU A 98 3.711 6.624 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 98 3.772 6.974 -6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.815 6.233 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.721 7.818 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 98 1.260 8.820 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.668 7.345 -8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.372 7.157 -8.376 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.174 5.931 -7.899 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.040 7.944 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.599 6.557 -6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.585 8.203 -5.479 1.00 0.00 H new ATOM 1590 N ARG A 99 3.720 9.749 -5.027 1.00 0.00 N ATOM 1591 CA ARG A 99 3.909 11.189 -5.117 1.00 0.00 C ATOM 1592 C ARG A 99 5.314 11.545 -5.592 1.00 0.00 C ATOM 1593 O ARG A 99 5.474 12.353 -6.506 1.00 0.00 O ATOM 1594 CB ARG A 99 3.635 11.877 -3.779 1.00 0.00 C ATOM 1595 CG ARG A 99 3.976 13.356 -3.817 1.00 0.00 C ATOM 1596 CD ARG A 99 3.577 14.083 -2.548 1.00 0.00 C ATOM 1597 NE ARG A 99 4.002 15.483 -2.596 1.00 0.00 N ATOM 1598 CZ ARG A 99 3.412 16.417 -3.342 1.00 0.00 C ATOM 1599 NH1 ARG A 99 2.314 16.130 -4.034 1.00 0.00 N ATOM 1600 NH2 ARG A 99 3.915 17.645 -3.382 1.00 0.00 N ATOM 0 H ARG A 99 3.537 9.400 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 99 3.189 11.549 -5.852 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.584 11.754 -3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.217 11.391 -2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.048 13.473 -3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.475 13.818 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.496 14.031 -2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.026 13.591 -1.685 1.00 0.00 H new ATOM 0 HE ARG A 99 4.799 15.761 -2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.918 15.191 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.867 16.849 -4.603 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.751 17.872 -2.843 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.466 18.362 -3.952 1.00 0.00 H new ATOM 1614 N ARG A 100 6.330 10.942 -4.983 1.00 0.00 N ATOM 1615 CA ARG A 100 7.706 11.314 -5.282 1.00 0.00 C ATOM 1616 C ARG A 100 8.124 10.886 -6.677 1.00 0.00 C ATOM 1617 O ARG A 100 8.977 11.526 -7.285 1.00 0.00 O ATOM 1618 CB ARG A 100 8.672 10.770 -4.235 1.00 0.00 C ATOM 1619 CG ARG A 100 8.541 11.479 -2.902 1.00 0.00 C ATOM 1620 CD ARG A 100 9.724 11.211 -1.992 1.00 0.00 C ATOM 1621 NE ARG A 100 9.679 12.071 -0.815 1.00 0.00 N ATOM 1622 CZ ARG A 100 10.568 13.030 -0.560 1.00 0.00 C ATOM 1623 NH1 ARG A 100 11.623 13.196 -1.352 1.00 0.00 N ATOM 1624 NH2 ARG A 100 10.404 13.825 0.489 1.00 0.00 N ATOM 0 H ARG A 100 6.228 10.203 -4.288 1.00 0.00 H new ATOM 0 HA ARG A 100 7.750 12.403 -5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 100 8.490 9.704 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 100 9.694 10.874 -4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.450 12.552 -3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.625 11.155 -2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 100 9.722 10.165 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.653 11.381 -2.536 1.00 0.00 H new ATOM 0 HE ARG A 100 8.921 11.930 -0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.755 12.587 -2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.300 13.932 -1.152 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.597 13.702 1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.085 14.559 0.684 1.00 0.00 H new ATOM 1638 N LEU A 101 7.529 9.823 -7.200 1.00 0.00 N ATOM 1639 CA LEU A 101 7.808 9.431 -8.572 1.00 0.00 C ATOM 1640 C LEU A 101 7.269 10.483 -9.527 1.00 0.00 C ATOM 1641 O LEU A 101 7.921 10.838 -10.495 1.00 0.00 O ATOM 1642 CB LEU A 101 7.202 8.066 -8.907 1.00 0.00 C ATOM 1643 CG LEU A 101 7.515 7.571 -10.323 1.00 0.00 C ATOM 1644 CD1 LEU A 101 9.009 7.335 -10.488 1.00 0.00 C ATOM 1645 CD2 LEU A 101 6.741 6.305 -10.642 1.00 0.00 C ATOM 0 H LEU A 101 6.864 9.228 -6.706 1.00 0.00 H new ATOM 0 HA LEU A 101 8.889 9.351 -8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.568 7.332 -8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.120 8.121 -8.784 1.00 0.00 H new ATOM 0 HG LEU A 101 7.204 8.344 -11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.212 6.984 -11.500 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.546 8.267 -10.313 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.340 6.585 -9.770 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.982 5.976 -11.653 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.012 5.524 -9.932 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.672 6.505 -10.571 1.00 0.00 H new ATOM 1657 N VAL A 102 6.084 10.997 -9.239 1.00 0.00 N ATOM 1658 CA VAL A 102 5.496 12.035 -10.073 1.00 0.00 C ATOM 1659 C VAL A 102 6.259 13.352 -9.916 1.00 0.00 C ATOM 1660 O VAL A 102 6.522 14.049 -10.897 1.00 0.00 O ATOM 1661 CB VAL A 102 4.005 12.247 -9.738 1.00 0.00 C ATOM 1662 CG1 VAL A 102 3.408 13.365 -10.580 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.230 10.955 -9.948 1.00 0.00 C ATOM 0 H VAL A 102 5.514 10.716 -8.441 1.00 0.00 H new ATOM 0 HA VAL A 102 5.570 11.704 -11.109 1.00 0.00 H new ATOM 0 HB VAL A 102 3.930 12.538 -8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.356 13.492 -10.323 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.944 14.294 -10.385 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.495 13.111 -11.636 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.179 11.118 -9.708 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.320 10.641 -10.988 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.634 10.179 -9.298 1.00 0.00 H new ATOM 1673 N GLU A 103 6.631 13.670 -8.685 1.00 0.00 N ATOM 1674 CA GLU A 103 7.342 14.907 -8.383 1.00 0.00 C ATOM 1675 C GLU A 103 8.750 14.907 -8.988 1.00 0.00 C ATOM 1676 O GLU A 103 9.081 15.770 -9.800 1.00 0.00 O ATOM 1677 CB GLU A 103 7.413 15.111 -6.866 1.00 0.00 C ATOM 1678 CG GLU A 103 8.199 16.341 -6.441 1.00 0.00 C ATOM 1679 CD GLU A 103 8.152 16.581 -4.946 1.00 0.00 C ATOM 1680 OE1 GLU A 103 8.803 15.829 -4.193 1.00 0.00 O ATOM 1681 OE2 GLU A 103 7.469 17.536 -4.516 1.00 0.00 O ATOM 0 H GLU A 103 6.451 13.083 -7.871 1.00 0.00 H new ATOM 0 HA GLU A 103 6.790 15.733 -8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.399 15.187 -6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.866 14.229 -6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.237 16.229 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.803 17.216 -6.957 1.00 0.00 H new ATOM 1688 N LEU A 104 9.555 13.919 -8.616 1.00 0.00 N ATOM 1689 CA LEU A 104 10.956 13.861 -9.032 1.00 0.00 C ATOM 1690 C LEU A 104 11.098 13.636 -10.535 1.00 0.00 C ATOM 1691 O LEU A 104 12.118 13.979 -11.133 1.00 0.00 O ATOM 1692 CB LEU A 104 11.682 12.747 -8.275 1.00 0.00 C ATOM 1693 CG LEU A 104 11.806 12.957 -6.763 1.00 0.00 C ATOM 1694 CD1 LEU A 104 12.507 11.769 -6.119 1.00 0.00 C ATOM 1695 CD2 LEU A 104 12.557 14.246 -6.462 1.00 0.00 C ATOM 0 H LEU A 104 9.262 13.142 -8.024 1.00 0.00 H new ATOM 0 HA LEU A 104 11.406 14.825 -8.795 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.158 11.808 -8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.683 12.638 -8.693 1.00 0.00 H new ATOM 0 HG LEU A 104 10.804 13.038 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.588 11.933 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.932 10.862 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.504 11.660 -6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.635 14.378 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.556 14.194 -6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.018 15.090 -6.893 1.00 0.00 H new ATOM 1707 N ASN A 105 10.074 13.061 -11.140 1.00 0.00 N ATOM 1708 CA ASN A 105 10.113 12.724 -12.559 1.00 0.00 C ATOM 1709 C ASN A 105 9.338 13.759 -13.370 1.00 0.00 C ATOM 1710 O ASN A 105 9.181 13.627 -14.583 1.00 0.00 O ATOM 1711 CB ASN A 105 9.533 11.321 -12.746 1.00 0.00 C ATOM 1712 CG ASN A 105 9.749 10.721 -14.122 1.00 0.00 C ATOM 1713 OD1 ASN A 105 10.687 11.073 -14.840 1.00 0.00 O ATOM 1714 ND2 ASN A 105 8.894 9.770 -14.467 1.00 0.00 N ATOM 0 H ASN A 105 9.201 12.816 -10.673 1.00 0.00 H new ATOM 0 HA ASN A 105 11.142 12.733 -12.918 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.976 10.658 -12.003 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.462 11.356 -12.544 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.996 9.293 -15.363 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.134 9.515 -13.837 1.00 0.00 H new ATOM 1721 N LEU A 106 8.860 14.797 -12.676 1.00 0.00 N ATOM 1722 CA LEU A 106 8.140 15.910 -13.302 1.00 0.00 C ATOM 1723 C LEU A 106 6.946 15.419 -14.125 1.00 0.00 C ATOM 1724 O LEU A 106 6.684 15.917 -15.221 1.00 0.00 O ATOM 1725 CB LEU A 106 9.083 16.751 -14.181 1.00 0.00 C ATOM 1726 CG LEU A 106 10.071 17.661 -13.434 1.00 0.00 C ATOM 1727 CD1 LEU A 106 9.343 18.513 -12.408 1.00 0.00 C ATOM 1728 CD2 LEU A 106 11.182 16.855 -12.772 1.00 0.00 C ATOM 0 H LEU A 106 8.961 14.889 -11.665 1.00 0.00 H new ATOM 0 HA LEU A 106 7.758 16.539 -12.498 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.653 16.074 -14.817 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.476 17.372 -14.840 1.00 0.00 H new ATOM 0 HG LEU A 106 10.534 18.321 -14.168 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.060 19.150 -11.890 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.602 19.135 -12.911 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.844 17.866 -11.686 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.862 17.531 -12.253 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.748 16.157 -12.056 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.732 16.300 -13.532 1.00 0.00 H new ATOM 1740 N GLY A 107 6.205 14.468 -13.567 1.00 0.00 N ATOM 1741 CA GLY A 107 5.061 13.902 -14.261 1.00 0.00 C ATOM 1742 C GLY A 107 3.804 14.743 -14.119 1.00 0.00 C ATOM 1743 O GLY A 107 2.761 14.389 -14.666 1.00 0.00 O ATOM 0 H GLY A 107 6.377 14.076 -12.641 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.302 13.794 -15.319 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.867 12.901 -13.875 1.00 0.00 H new ATOM 1747 N ASP A 108 3.915 15.844 -13.363 1.00 0.00 N ATOM 1748 CA ASP A 108 2.820 16.808 -13.167 1.00 0.00 C ATOM 1749 C ASP A 108 1.740 16.251 -12.234 1.00 0.00 C ATOM 1750 O ASP A 108 1.235 15.145 -12.429 1.00 0.00 O ATOM 1751 CB ASP A 108 2.210 17.228 -14.507 1.00 0.00 C ATOM 1752 CG ASP A 108 1.261 18.400 -14.376 1.00 0.00 C ATOM 1753 OD1 ASP A 108 1.703 19.552 -14.591 1.00 0.00 O ATOM 1754 OD2 ASP A 108 0.074 18.183 -14.071 1.00 0.00 O ATOM 0 H ASP A 108 4.771 16.093 -12.867 1.00 0.00 H new ATOM 0 HA ASP A 108 3.247 17.692 -12.693 1.00 0.00 H new ATOM 0 HB2 ASP A 108 3.010 17.489 -15.200 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.677 16.381 -14.940 1.00 0.00 H new ATOM 1759 N GLU A 109 1.383 17.038 -11.221 1.00 0.00 N ATOM 1760 CA GLU A 109 0.457 16.592 -10.179 1.00 0.00 C ATOM 1761 C GLU A 109 -0.992 16.549 -10.662 1.00 0.00 C ATOM 1762 O GLU A 109 -1.799 15.777 -10.140 1.00 0.00 O ATOM 1763 CB GLU A 109 0.545 17.508 -8.956 1.00 0.00 C ATOM 1764 CG GLU A 109 1.893 17.499 -8.255 1.00 0.00 C ATOM 1765 CD GLU A 109 1.892 18.379 -7.022 1.00 0.00 C ATOM 1766 OE1 GLU A 109 2.182 19.587 -7.145 1.00 0.00 O ATOM 1767 OE2 GLU A 109 1.583 17.872 -5.922 1.00 0.00 O ATOM 0 H GLU A 109 1.722 17.992 -11.098 1.00 0.00 H new ATOM 0 HA GLU A 109 0.756 15.578 -9.914 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.318 18.528 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.223 17.213 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.149 16.478 -7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.664 17.841 -8.945 1.00 0.00 H new ATOM 1774 N GLU A 110 -1.320 17.354 -11.669 1.00 0.00 N ATOM 1775 CA GLU A 110 -2.705 17.491 -12.118 1.00 0.00 C ATOM 1776 C GLU A 110 -3.250 16.176 -12.666 1.00 0.00 C ATOM 1777 O GLU A 110 -4.458 15.945 -12.661 1.00 0.00 O ATOM 1778 CB GLU A 110 -2.831 18.591 -13.175 1.00 0.00 C ATOM 1779 CG GLU A 110 -3.266 19.939 -12.616 1.00 0.00 C ATOM 1780 CD GLU A 110 -2.366 20.460 -11.512 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -1.334 21.088 -11.824 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -2.703 20.271 -10.324 1.00 0.00 O ATOM 0 H GLU A 110 -0.649 17.920 -12.189 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.300 17.769 -11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.871 18.710 -13.677 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.549 18.274 -13.931 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -3.291 20.667 -13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.283 19.853 -12.233 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.362 15.304 -13.121 1.00 0.00 N ATOM 1790 CA LEU A 111 -2.787 14.025 -13.668 1.00 0.00 C ATOM 1791 C LEU A 111 -3.188 13.060 -12.556 1.00 0.00 C ATOM 1792 O LEU A 111 -3.955 12.127 -12.785 1.00 0.00 O ATOM 1793 CB LEU A 111 -1.695 13.405 -14.538 1.00 0.00 C ATOM 1794 CG LEU A 111 -1.192 14.297 -15.677 1.00 0.00 C ATOM 1795 CD1 LEU A 111 -0.063 13.617 -16.431 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -2.329 14.640 -16.627 1.00 0.00 C ATOM 0 H LEU A 111 -1.353 15.456 -13.123 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.659 14.211 -14.295 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.850 13.142 -13.902 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.074 12.476 -14.964 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.810 15.221 -15.243 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.280 14.267 -17.236 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.763 13.418 -15.748 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.420 12.677 -16.851 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -1.953 15.274 -17.430 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.739 13.723 -17.050 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.111 15.169 -16.082 1.00 0.00 H new ATOM 1808 N LEU A 112 -2.692 13.306 -11.349 1.00 0.00 N ATOM 1809 CA LEU A 112 -3.032 12.473 -10.198 1.00 0.00 C ATOM 1810 C LEU A 112 -4.386 12.876 -9.635 1.00 0.00 C ATOM 1811 O LEU A 112 -4.994 12.142 -8.849 1.00 0.00 O ATOM 1812 CB LEU A 112 -1.971 12.603 -9.101 1.00 0.00 C ATOM 1813 CG LEU A 112 -0.585 12.065 -9.449 1.00 0.00 C ATOM 1814 CD1 LEU A 112 0.384 12.330 -8.309 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -0.656 10.578 -9.752 1.00 0.00 C ATOM 0 H LEU A 112 -2.054 14.074 -11.140 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.072 11.437 -10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.875 13.656 -8.837 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.329 12.083 -8.212 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.223 12.581 -10.338 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.368 11.941 -8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.453 13.403 -8.132 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.027 11.836 -7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.340 10.209 -9.998 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.034 10.046 -8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.324 10.410 -10.597 1.00 0.00 H new ATOM 1827 N GLU A 113 -4.861 14.035 -10.064 1.00 0.00 N ATOM 1828 CA GLU A 113 -6.074 14.623 -9.526 1.00 0.00 C ATOM 1829 C GLU A 113 -7.105 14.827 -10.620 1.00 0.00 C ATOM 1830 O GLU A 113 -7.911 15.753 -10.559 1.00 0.00 O ATOM 1831 CB GLU A 113 -5.758 15.949 -8.834 1.00 0.00 C ATOM 1832 CG GLU A 113 -5.199 15.778 -7.432 1.00 0.00 C ATOM 1833 CD GLU A 113 -6.222 15.204 -6.472 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -6.774 15.974 -5.656 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -6.497 13.986 -6.533 1.00 0.00 O ATOM 0 H GLU A 113 -4.416 14.592 -10.793 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.492 13.936 -8.790 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.040 16.504 -9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.666 16.550 -8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -4.329 15.122 -7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -4.856 16.743 -7.060 1.00 0.00 H new ATOM 1842 N ARG A 114 -7.089 13.941 -11.612 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.097 13.982 -12.659 1.00 0.00 C ATOM 1844 C ARG A 114 -9.414 13.429 -12.108 1.00 0.00 C ATOM 1845 O ARG A 114 -10.221 14.176 -11.562 1.00 0.00 O ATOM 1846 CB ARG A 114 -7.631 13.205 -13.905 1.00 0.00 C ATOM 1847 CG ARG A 114 -6.238 13.609 -14.371 1.00 0.00 C ATOM 1848 CD ARG A 114 -5.916 13.123 -15.781 1.00 0.00 C ATOM 1849 NE ARG A 114 -6.089 11.677 -15.950 1.00 0.00 N ATOM 1850 CZ ARG A 114 -5.093 10.783 -15.931 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -3.858 11.146 -15.618 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -5.346 9.515 -16.215 1.00 0.00 N ATOM 0 H ARG A 114 -6.398 13.197 -11.710 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.254 15.014 -12.972 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.639 12.137 -13.685 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -8.341 13.369 -14.715 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -6.151 14.695 -14.338 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -5.499 13.209 -13.677 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -6.557 13.644 -16.492 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -4.887 13.390 -16.024 1.00 0.00 H new ATOM 0 HE ARG A 114 -7.036 11.327 -16.092 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -3.655 12.119 -15.387 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.110 10.453 -15.608 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -6.296 9.224 -16.447 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -4.591 8.829 -16.202 1.00 0.00 H new ATOM 1866 N GLU A 115 -9.599 12.116 -12.217 1.00 0.00 N ATOM 1867 CA GLU A 115 -10.739 11.415 -11.612 1.00 0.00 C ATOM 1868 C GLU A 115 -10.636 9.961 -12.053 1.00 0.00 C ATOM 1869 O GLU A 115 -9.979 9.691 -13.046 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.070 12.033 -12.088 1.00 0.00 C ATOM 1871 CG GLU A 115 -13.218 11.948 -11.087 1.00 0.00 C ATOM 1872 CD GLU A 115 -13.752 10.546 -10.898 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -13.348 9.879 -9.925 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -14.561 10.097 -11.733 1.00 0.00 O ATOM 0 H GLU A 115 -8.964 11.503 -12.728 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.719 11.498 -10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.899 13.081 -12.333 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.374 11.536 -13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.879 12.332 -10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.029 12.595 -11.421 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.248 9.032 -11.338 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.173 7.628 -11.728 1.00 0.00 C ATOM 1883 C LEU A 116 -11.839 7.432 -13.090 1.00 0.00 C ATOM 1884 O LEU A 116 -11.371 6.651 -13.911 1.00 0.00 O ATOM 1885 CB LEU A 116 -11.808 6.723 -10.664 1.00 0.00 C ATOM 1886 CG LEU A 116 -11.784 5.221 -10.973 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -10.351 4.719 -11.081 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.540 4.445 -9.905 1.00 0.00 C ATOM 0 H LEU A 116 -11.795 9.216 -10.497 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.124 7.344 -11.809 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.294 6.889 -9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.844 7.030 -10.523 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.278 5.060 -11.931 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.355 3.651 -11.301 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.838 5.252 -11.881 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.832 4.894 -10.138 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.513 3.381 -10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.074 4.614 -8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.576 4.783 -9.874 1.00 0.00 H new ATOM 1900 N ALA A 117 -12.909 8.182 -13.343 1.00 0.00 N ATOM 1901 CA ALA A 117 -13.565 8.155 -14.647 1.00 0.00 C ATOM 1902 C ALA A 117 -12.807 9.019 -15.657 1.00 0.00 C ATOM 1903 O ALA A 117 -13.173 9.095 -16.829 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.009 8.615 -14.526 1.00 0.00 C ATOM 0 H ALA A 117 -13.338 8.813 -12.666 1.00 0.00 H new ATOM 0 HA ALA A 117 -13.559 7.127 -15.010 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -15.483 8.589 -15.507 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -15.546 7.954 -13.846 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.035 9.633 -14.138 1.00 0.00 H new ATOM 1910 N LEU A 118 -11.755 9.681 -15.188 1.00 0.00 N ATOM 1911 CA LEU A 118 -10.878 10.458 -16.061 1.00 0.00 C ATOM 1912 C LEU A 118 -9.542 9.745 -16.228 1.00 0.00 C ATOM 1913 O LEU A 118 -8.588 10.284 -16.795 1.00 0.00 O ATOM 1914 CB LEU A 118 -10.661 11.871 -15.514 1.00 0.00 C ATOM 1915 CG LEU A 118 -11.851 12.820 -15.673 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -11.531 14.177 -15.071 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -12.217 12.966 -17.143 1.00 0.00 C ATOM 0 H LEU A 118 -11.487 9.696 -14.204 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.360 10.546 -17.035 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.413 11.799 -14.455 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.798 12.309 -16.015 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.704 12.399 -15.142 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.388 14.840 -15.192 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.309 14.061 -14.010 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -10.666 14.605 -15.578 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.065 13.644 -17.241 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.365 13.368 -17.692 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -12.483 11.991 -17.550 1.00 0.00 H new ATOM 1929 N LEU A 119 -9.478 8.536 -15.701 1.00 0.00 N ATOM 1930 CA LEU A 119 -8.340 7.661 -15.906 1.00 0.00 C ATOM 1931 C LEU A 119 -8.707 6.639 -16.974 1.00 0.00 C ATOM 1932 O LEU A 119 -9.289 5.597 -16.683 1.00 0.00 O ATOM 1933 CB LEU A 119 -7.932 6.981 -14.587 1.00 0.00 C ATOM 1934 CG LEU A 119 -6.888 7.732 -13.740 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.182 9.221 -13.669 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -6.829 7.166 -12.336 1.00 0.00 C ATOM 0 H LEU A 119 -10.213 8.134 -15.119 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.479 8.238 -16.243 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.827 6.837 -13.982 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.541 5.990 -14.817 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.924 7.595 -14.230 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.422 9.713 -13.062 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.173 9.642 -14.674 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.163 9.377 -13.219 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.085 7.711 -11.755 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.805 7.267 -11.862 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.554 6.112 -12.380 1.00 0.00 H new ATOM 1948 N VAL A 120 -8.409 6.981 -18.220 1.00 0.00 N ATOM 1949 CA VAL A 120 -8.878 6.212 -19.365 1.00 0.00 C ATOM 1950 C VAL A 120 -7.719 5.440 -20.015 1.00 0.00 C ATOM 1951 O VAL A 120 -6.613 5.400 -19.473 1.00 0.00 O ATOM 1952 CB VAL A 120 -9.567 7.160 -20.385 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -8.544 7.999 -21.136 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -10.475 6.394 -21.342 1.00 0.00 C ATOM 0 H VAL A 120 -7.841 7.792 -18.465 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.609 5.478 -19.026 1.00 0.00 H new ATOM 0 HB VAL A 120 -10.201 7.843 -19.819 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -9.057 8.652 -21.842 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -7.979 8.604 -20.427 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -7.862 7.343 -21.678 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -10.939 7.091 -22.040 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -9.886 5.664 -21.896 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -11.250 5.879 -20.774 1.00 0.00 H new ATOM 1964 N SER A 121 -7.976 4.836 -21.166 1.00 0.00 N ATOM 1965 CA SER A 121 -6.998 4.011 -21.858 1.00 0.00 C ATOM 1966 C SER A 121 -5.893 4.864 -22.475 1.00 0.00 C ATOM 1967 O SER A 121 -5.963 6.095 -22.451 1.00 0.00 O ATOM 1968 CB SER A 121 -7.694 3.186 -22.937 1.00 0.00 C ATOM 1969 OG SER A 121 -8.712 2.377 -22.373 1.00 0.00 O ATOM 0 H SER A 121 -8.872 4.905 -21.648 1.00 0.00 H new ATOM 0 HA SER A 121 -6.536 3.342 -21.132 1.00 0.00 H new ATOM 0 HB2 SER A 121 -8.124 3.849 -23.687 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.965 2.557 -23.448 1.00 0.00 H new ATOM 0 HG SER A 121 -9.147 1.858 -23.081 1.00 0.00 H new ATOM 1975 N ALA A 122 -4.861 4.202 -22.991 1.00 0.00 N ATOM 1976 CA ALA A 122 -3.732 4.879 -23.620 1.00 0.00 C ATOM 1977 C ALA A 122 -4.201 5.892 -24.663 1.00 0.00 C ATOM 1978 O ALA A 122 -3.671 7.004 -24.741 1.00 0.00 O ATOM 1979 CB ALA A 122 -2.790 3.860 -24.244 1.00 0.00 C ATOM 0 H ALA A 122 -4.784 3.185 -22.985 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.193 5.428 -22.848 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.952 4.377 -24.710 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.417 3.188 -23.471 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.326 3.284 -24.998 1.00 0.00 H new