USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 652 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 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 88 GLN : amide:sc= -0.0637! K(o=-0.064!,f=-0.91) USER MOD Set 2.1: A 45 GLN : amide:sc= -4.79! C(o=-6.4!,f=-6.1!) USER MOD Set 2.2: A 47 GLN : amide:sc= -1.57 K(o=-6.4,f=-12!) USER MOD Single : A 20 SER OG : rot 13:sc= 0.251 USER MOD Single : A 24 GLN : amide:sc= -4.33! C(o=-4.3!,f=-12!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0438 USER MOD Single : A 39 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.00031) USER MOD Single : A 50 ASN : amide:sc= -5.19! C(o=-5.2!,f=-2!) USER MOD Single : A 54 GLN : amide:sc= 0.178 X(o=0.18,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 179:sc= -2.48! (180deg=-2.54!) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -2.06! C(o=-2.1!,f=-4!) USER MOD Single : A 94 SER OG : rot 177:sc= -7.97! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 235 N ILE A 14 107.566 3.699 -2.645 1.00 0.00 N ATOM 236 CA ILE A 14 107.054 3.607 -4.007 1.00 0.00 C ATOM 237 C ILE A 14 105.600 4.047 -4.045 1.00 0.00 C ATOM 238 O ILE A 14 104.696 3.250 -3.795 1.00 0.00 O ATOM 239 CB ILE A 14 107.160 2.168 -4.507 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.637 1.782 -4.643 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.463 2.034 -5.872 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.313 1.796 -3.267 1.00 0.00 C ATOM 0 HA ILE A 14 107.646 4.258 -4.650 1.00 0.00 H new ATOM 0 HB ILE A 14 106.674 1.503 -3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.723 0.791 -5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 14 109.143 2.478 -5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.543 1.005 -6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.411 2.302 -5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 14 106.940 2.700 -6.591 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.362 1.520 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.242 2.795 -2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 14 108.816 1.082 -2.610 1.00 0.00 H new ATOM 254 N ALA A 15 105.376 5.319 -4.349 1.00 0.00 N ATOM 255 CA ALA A 15 104.017 5.839 -4.400 1.00 0.00 C ATOM 256 C ALA A 15 103.448 5.771 -5.810 1.00 0.00 C ATOM 257 O ALA A 15 103.967 6.388 -6.741 1.00 0.00 O ATOM 258 CB ALA A 15 103.995 7.291 -3.918 1.00 0.00 C ATOM 0 H ALA A 15 106.105 6.000 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 15 103.400 5.220 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 15 102.975 7.673 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.359 7.339 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.635 7.897 -4.559 1.00 0.00 H new ATOM 264 N PHE A 16 102.351 5.044 -5.936 1.00 0.00 N ATOM 265 CA PHE A 16 101.652 4.906 -7.202 1.00 0.00 C ATOM 266 C PHE A 16 100.172 4.708 -6.917 1.00 0.00 C ATOM 267 O PHE A 16 99.806 4.274 -5.824 1.00 0.00 O ATOM 268 CB PHE A 16 102.224 3.742 -8.023 1.00 0.00 C ATOM 269 CG PHE A 16 101.847 2.405 -7.420 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.083 2.143 -6.062 1.00 0.00 C ATOM 271 CD2 PHE A 16 101.280 1.413 -8.232 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.749 0.896 -5.522 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.951 0.166 -7.691 1.00 0.00 C ATOM 274 CZ PHE A 16 101.184 -0.092 -6.336 1.00 0.00 C ATOM 0 H PHE A 16 101.920 4.534 -5.165 1.00 0.00 H new ATOM 0 HA PHE A 16 101.788 5.808 -7.798 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.853 3.799 -9.046 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.309 3.828 -8.072 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.522 2.904 -5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 16 101.097 1.612 -9.278 1.00 0.00 H new ATOM 0 HE1 PHE A 16 101.928 0.696 -4.476 1.00 0.00 H new ATOM 0 HE2 PHE A 16 100.517 -0.598 -8.319 1.00 0.00 H new ATOM 0 HZ PHE A 16 100.928 -1.054 -5.918 1.00 0.00 H new ATOM 284 N ASP A 17 99.314 5.037 -7.873 1.00 0.00 N ATOM 285 CA ASP A 17 97.878 4.894 -7.654 1.00 0.00 C ATOM 286 C ASP A 17 97.381 3.562 -8.202 1.00 0.00 C ATOM 287 O ASP A 17 97.900 3.050 -9.194 1.00 0.00 O ATOM 288 CB ASP A 17 97.129 6.045 -8.337 1.00 0.00 C ATOM 289 CG ASP A 17 96.944 7.206 -7.362 1.00 0.00 C ATOM 290 OD1 ASP A 17 95.957 7.196 -6.645 1.00 0.00 O ATOM 291 OD2 ASP A 17 97.789 8.084 -7.349 1.00 0.00 O ATOM 0 H ASP A 17 99.578 5.398 -8.790 1.00 0.00 H new ATOM 0 HA ASP A 17 97.688 4.923 -6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 17 97.684 6.381 -9.213 1.00 0.00 H new ATOM 0 HB3 ASP A 17 96.158 5.698 -8.689 1.00 0.00 H new ATOM 296 N ALA A 18 96.363 3.014 -7.548 1.00 0.00 N ATOM 297 CA ALA A 18 95.781 1.747 -7.967 1.00 0.00 C ATOM 298 C ALA A 18 94.658 1.354 -7.016 1.00 0.00 C ATOM 299 O ALA A 18 94.377 2.058 -6.048 1.00 0.00 O ATOM 300 CB ALA A 18 96.845 0.648 -8.000 1.00 0.00 C ATOM 0 H ALA A 18 95.924 3.428 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 18 95.377 1.867 -8.972 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.389 -0.290 -8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.631 0.924 -8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.274 0.527 -7.005 1.00 0.00 H new ATOM 306 N ASP A 19 94.018 0.227 -7.296 1.00 0.00 N ATOM 307 CA ASP A 19 92.926 -0.244 -6.450 1.00 0.00 C ATOM 308 C ASP A 19 93.427 -1.270 -5.444 1.00 0.00 C ATOM 309 O ASP A 19 94.150 -2.200 -5.801 1.00 0.00 O ATOM 310 CB ASP A 19 91.828 -0.870 -7.312 1.00 0.00 C ATOM 311 CG ASP A 19 90.605 -1.180 -6.455 1.00 0.00 C ATOM 312 OD1 ASP A 19 90.668 -0.946 -5.260 1.00 0.00 O ATOM 313 OD2 ASP A 19 89.623 -1.649 -7.007 1.00 0.00 O ATOM 0 H ASP A 19 94.231 -0.373 -8.093 1.00 0.00 H new ATOM 0 HA ASP A 19 92.522 0.611 -5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.554 -0.189 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 19 92.197 -1.784 -7.778 1.00 0.00 H new ATOM 318 N SER A 20 93.022 -1.111 -4.188 1.00 0.00 N ATOM 319 CA SER A 20 93.419 -2.048 -3.147 1.00 0.00 C ATOM 320 C SER A 20 92.212 -2.432 -2.297 1.00 0.00 C ATOM 321 O SER A 20 91.252 -1.676 -2.184 1.00 0.00 O ATOM 322 CB SER A 20 94.496 -1.429 -2.263 1.00 0.00 C ATOM 323 OG SER A 20 94.095 -0.120 -1.884 1.00 0.00 O ATOM 0 H SER A 20 92.424 -0.348 -3.870 1.00 0.00 H new ATOM 0 HA SER A 20 93.820 -2.944 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.654 -2.044 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.445 -1.391 -2.798 1.00 0.00 H new ATOM 0 HG SER A 20 93.146 0.005 -2.095 1.00 0.00 H new ATOM 329 N GLU A 21 92.276 -3.611 -1.699 1.00 0.00 N ATOM 330 CA GLU A 21 91.193 -4.094 -0.849 1.00 0.00 C ATOM 331 C GLU A 21 91.780 -4.687 0.415 1.00 0.00 C ATOM 332 O GLU A 21 92.869 -5.261 0.392 1.00 0.00 O ATOM 333 CB GLU A 21 90.374 -5.155 -1.586 1.00 0.00 C ATOM 334 CG GLU A 21 89.855 -4.571 -2.902 1.00 0.00 C ATOM 335 CD GLU A 21 88.877 -5.543 -3.555 1.00 0.00 C ATOM 336 OE1 GLU A 21 87.951 -5.963 -2.882 1.00 0.00 O ATOM 337 OE2 GLU A 21 89.070 -5.852 -4.719 1.00 0.00 O ATOM 0 H GLU A 21 93.064 -4.252 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 21 90.537 -3.261 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 21 90.989 -6.034 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.539 -5.482 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 21 89.362 -3.616 -2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 21 90.689 -4.374 -3.576 1.00 0.00 H new ATOM 344 N ILE A 22 91.068 -4.534 1.522 1.00 0.00 N ATOM 345 CA ILE A 22 91.558 -5.052 2.792 1.00 0.00 C ATOM 346 C ILE A 22 90.534 -5.982 3.430 1.00 0.00 C ATOM 347 O ILE A 22 89.343 -5.696 3.454 1.00 0.00 O ATOM 348 CB ILE A 22 91.872 -3.889 3.732 1.00 0.00 C ATOM 349 CG1 ILE A 22 92.991 -3.008 3.126 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.288 -4.434 5.103 1.00 0.00 C ATOM 351 CD1 ILE A 22 94.312 -3.196 3.880 1.00 0.00 C ATOM 0 H ILE A 22 90.164 -4.064 1.568 1.00 0.00 H new ATOM 0 HA ILE A 22 92.467 -5.625 2.609 1.00 0.00 H new ATOM 0 HB ILE A 22 90.983 -3.272 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 22 93.129 -3.263 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.693 -1.960 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.512 -3.603 5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.475 -5.028 5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.174 -5.059 4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 22 95.080 -2.565 3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 22 94.177 -2.917 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 22 94.620 -4.240 3.820 1.00 0.00 H new ATOM 363 N LEU A 23 91.027 -7.104 3.945 1.00 0.00 N ATOM 364 CA LEU A 23 90.177 -8.101 4.583 1.00 0.00 C ATOM 365 C LEU A 23 90.629 -8.364 6.009 1.00 0.00 C ATOM 366 O LEU A 23 91.776 -8.735 6.257 1.00 0.00 O ATOM 367 CB LEU A 23 90.234 -9.419 3.801 1.00 0.00 C ATOM 368 CG LEU A 23 90.422 -9.127 2.307 1.00 0.00 C ATOM 369 CD1 LEU A 23 91.911 -9.123 1.951 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.718 -10.206 1.477 1.00 0.00 C ATOM 0 H LEU A 23 92.018 -7.346 3.932 1.00 0.00 H new ATOM 0 HA LEU A 23 89.158 -7.714 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 23 91.056 -10.035 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.316 -9.986 3.958 1.00 0.00 H new ATOM 0 HG LEU A 23 89.994 -8.149 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.030 -8.915 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.422 -8.354 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.343 -10.097 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 23 89.854 -9.995 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.145 -11.181 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.654 -10.210 1.713 1.00 0.00 H new ATOM 382 N GLN A 24 89.705 -8.191 6.938 1.00 0.00 N ATOM 383 CA GLN A 24 89.996 -8.435 8.349 1.00 0.00 C ATOM 384 C GLN A 24 88.908 -9.313 8.946 1.00 0.00 C ATOM 385 O GLN A 24 87.810 -8.838 9.224 1.00 0.00 O ATOM 386 CB GLN A 24 90.055 -7.107 9.109 1.00 0.00 C ATOM 387 CG GLN A 24 90.572 -7.337 10.542 1.00 0.00 C ATOM 388 CD GLN A 24 89.408 -7.406 11.528 1.00 0.00 C ATOM 389 OE1 GLN A 24 88.412 -8.078 11.268 1.00 0.00 O ATOM 390 NE2 GLN A 24 89.476 -6.749 12.653 1.00 0.00 N ATOM 0 H GLN A 24 88.751 -7.884 6.747 1.00 0.00 H new ATOM 0 HA GLN A 24 90.960 -8.937 8.433 1.00 0.00 H new ATOM 0 HB2 GLN A 24 90.709 -6.409 8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.064 -6.653 9.140 1.00 0.00 H new ATOM 0 HG2 GLN A 24 91.146 -8.263 10.583 1.00 0.00 H new ATOM 0 HG3 GLN A 24 91.248 -6.530 10.825 1.00 0.00 H new ATOM 0 HE21 GLN A 24 90.302 -6.191 12.869 1.00 0.00 H new ATOM 0 HE22 GLN A 24 88.703 -6.793 13.317 1.00 0.00 H new ATOM 399 N GLY A 25 89.198 -10.599 9.116 1.00 0.00 N ATOM 400 CA GLY A 25 88.207 -11.519 9.655 1.00 0.00 C ATOM 401 C GLY A 25 87.219 -11.919 8.565 1.00 0.00 C ATOM 402 O GLY A 25 87.617 -12.344 7.481 1.00 0.00 O ATOM 0 H GLY A 25 90.099 -11.022 8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.701 -12.406 10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.677 -11.050 10.484 1.00 0.00 H new ATOM 406 N GLU A 26 85.932 -11.772 8.853 1.00 0.00 N ATOM 407 CA GLU A 26 84.892 -12.112 7.887 1.00 0.00 C ATOM 408 C GLU A 26 84.381 -10.853 7.191 1.00 0.00 C ATOM 409 O GLU A 26 83.347 -10.879 6.523 1.00 0.00 O ATOM 410 CB GLU A 26 83.730 -12.802 8.603 1.00 0.00 C ATOM 411 CG GLU A 26 83.136 -11.855 9.651 1.00 0.00 C ATOM 412 CD GLU A 26 82.356 -12.651 10.691 1.00 0.00 C ATOM 413 OE1 GLU A 26 82.915 -13.595 11.227 1.00 0.00 O ATOM 414 OE2 GLU A 26 81.212 -12.307 10.936 1.00 0.00 O ATOM 0 H GLU A 26 85.583 -11.421 9.745 1.00 0.00 H new ATOM 0 HA GLU A 26 85.315 -12.784 7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 26 82.964 -13.089 7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.077 -13.718 9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 26 83.932 -11.290 10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 26 82.480 -11.131 9.168 1.00 0.00 H new ATOM 421 N ARG A 27 85.100 -9.747 7.372 1.00 0.00 N ATOM 422 CA ARG A 27 84.699 -8.475 6.779 1.00 0.00 C ATOM 423 C ARG A 27 85.673 -8.014 5.702 1.00 0.00 C ATOM 424 O ARG A 27 86.887 -8.028 5.901 1.00 0.00 O ATOM 425 CB ARG A 27 84.641 -7.400 7.860 1.00 0.00 C ATOM 426 CG ARG A 27 83.881 -7.926 9.087 1.00 0.00 C ATOM 427 CD ARG A 27 84.853 -8.053 10.255 1.00 0.00 C ATOM 428 NE ARG A 27 84.232 -8.772 11.363 1.00 0.00 N ATOM 429 CZ ARG A 27 84.965 -9.470 12.227 1.00 0.00 C ATOM 430 NH1 ARG A 27 86.264 -9.511 12.100 1.00 0.00 N ATOM 431 NH2 ARG A 27 84.385 -10.113 13.204 1.00 0.00 N ATOM 0 H ARG A 27 85.958 -9.707 7.922 1.00 0.00 H new ATOM 0 HA ARG A 27 83.720 -8.627 6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.651 -7.106 8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.148 -6.509 7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.068 -7.248 9.346 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.431 -8.893 8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.752 -8.578 9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 27 85.164 -7.062 10.586 1.00 0.00 H new ATOM 0 HE ARG A 27 83.219 -8.739 11.477 1.00 0.00 H new ATOM 0 HH11 ARG A 27 86.718 -9.008 11.338 1.00 0.00 H new ATOM 0 HH12 ARG A 27 86.825 -10.046 12.763 1.00 0.00 H new ATOM 0 HH21 ARG A 27 83.371 -10.080 13.305 1.00 0.00 H new ATOM 0 HH22 ARG A 27 84.946 -10.648 13.866 1.00 0.00 H new ATOM 445 N ARG A 28 85.129 -7.590 4.571 1.00 0.00 N ATOM 446 CA ARG A 28 85.948 -7.102 3.461 1.00 0.00 C ATOM 447 C ARG A 28 85.471 -5.727 3.033 1.00 0.00 C ATOM 448 O ARG A 28 84.285 -5.408 3.122 1.00 0.00 O ATOM 449 CB ARG A 28 85.863 -8.066 2.273 1.00 0.00 C ATOM 450 CG ARG A 28 86.917 -7.693 1.213 1.00 0.00 C ATOM 451 CD ARG A 28 86.419 -8.063 -0.193 1.00 0.00 C ATOM 452 NE ARG A 28 87.518 -8.604 -0.992 1.00 0.00 N ATOM 453 CZ ARG A 28 87.736 -9.915 -1.068 1.00 0.00 C ATOM 454 NH1 ARG A 28 86.973 -10.747 -0.411 1.00 0.00 N ATOM 455 NH2 ARG A 28 88.718 -10.371 -1.795 1.00 0.00 N ATOM 0 H ARG A 28 84.125 -7.572 4.393 1.00 0.00 H new ATOM 0 HA ARG A 28 86.984 -7.039 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.024 -9.089 2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 28 84.866 -8.028 1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 28 87.128 -6.625 1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.852 -8.212 1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 28 85.616 -8.797 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 28 86.003 -7.183 -0.683 1.00 0.00 H new ATOM 0 HE ARG A 28 88.129 -7.965 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 28 86.207 -10.393 0.162 1.00 0.00 H new ATOM 0 HH12 ARG A 28 87.143 -11.751 -0.471 1.00 0.00 H new ATOM 0 HH21 ARG A 28 89.319 -9.723 -2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 28 88.886 -11.375 -1.854 1.00 0.00 H new ATOM 469 N TRP A 29 86.411 -4.912 2.581 1.00 0.00 N ATOM 470 CA TRP A 29 86.107 -3.561 2.152 1.00 0.00 C ATOM 471 C TRP A 29 87.011 -3.151 0.995 1.00 0.00 C ATOM 472 O TRP A 29 88.113 -3.677 0.837 1.00 0.00 O ATOM 473 CB TRP A 29 86.348 -2.608 3.314 1.00 0.00 C ATOM 474 CG TRP A 29 85.532 -3.011 4.497 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.188 -2.904 4.594 1.00 0.00 C ATOM 476 CD2 TRP A 29 85.994 -3.570 5.756 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.797 -3.357 5.842 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.877 -3.778 6.595 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.266 -3.911 6.245 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.019 -4.304 7.880 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.414 -4.443 7.536 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.292 -4.637 8.352 1.00 0.00 C ATOM 0 H TRP A 29 87.395 -5.167 2.503 1.00 0.00 H new ATOM 0 HA TRP A 29 85.067 -3.521 1.827 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.406 -2.606 3.578 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.092 -1.591 3.017 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.529 -2.528 3.826 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.830 -3.378 6.166 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.137 -3.763 5.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.151 -4.453 8.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.396 -4.704 7.901 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.410 -5.044 9.345 1.00 0.00 H new ATOM 493 N GLU A 30 86.545 -2.198 0.196 1.00 0.00 N ATOM 494 CA GLU A 30 87.326 -1.709 -0.933 1.00 0.00 C ATOM 495 C GLU A 30 87.999 -0.393 -0.559 1.00 0.00 C ATOM 496 O GLU A 30 87.382 0.461 0.075 1.00 0.00 O ATOM 497 CB GLU A 30 86.411 -1.487 -2.143 1.00 0.00 C ATOM 498 CG GLU A 30 86.056 -2.835 -2.775 1.00 0.00 C ATOM 499 CD GLU A 30 85.173 -3.640 -1.828 1.00 0.00 C ATOM 500 OE1 GLU A 30 85.718 -4.324 -0.977 1.00 0.00 O ATOM 501 OE2 GLU A 30 83.964 -3.562 -1.967 1.00 0.00 O ATOM 0 H GLU A 30 85.635 -1.751 0.308 1.00 0.00 H new ATOM 0 HA GLU A 30 88.086 -2.448 -1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 30 85.503 -0.969 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 30 86.908 -0.851 -2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 30 85.539 -2.677 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 30 86.966 -3.392 -2.998 1.00 0.00 H new ATOM 508 N VAL A 31 89.260 -0.227 -0.935 1.00 0.00 N ATOM 509 CA VAL A 31 89.980 0.998 -0.606 1.00 0.00 C ATOM 510 C VAL A 31 90.965 1.368 -1.709 1.00 0.00 C ATOM 511 O VAL A 31 91.423 0.515 -2.466 1.00 0.00 O ATOM 512 CB VAL A 31 90.745 0.812 0.706 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.759 0.712 1.868 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.574 -0.472 0.632 1.00 0.00 C ATOM 0 H VAL A 31 89.800 -0.914 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 31 89.251 1.801 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 31 91.404 1.666 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.308 0.580 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.167 1.625 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.098 -0.140 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.120 -0.607 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.913 -1.323 0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.281 -0.402 -0.195 1.00 0.00 H new ATOM 524 N LEU A 32 91.307 2.648 -1.768 1.00 0.00 N ATOM 525 CA LEU A 32 92.265 3.139 -2.749 1.00 0.00 C ATOM 526 C LEU A 32 93.636 3.186 -2.087 1.00 0.00 C ATOM 527 O LEU A 32 93.779 3.733 -0.992 1.00 0.00 O ATOM 528 CB LEU A 32 91.843 4.542 -3.220 1.00 0.00 C ATOM 529 CG LEU A 32 93.027 5.292 -3.847 1.00 0.00 C ATOM 530 CD1 LEU A 32 93.603 4.487 -5.017 1.00 0.00 C ATOM 531 CD2 LEU A 32 92.542 6.654 -4.352 1.00 0.00 C ATOM 0 H LEU A 32 90.934 3.366 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 32 92.300 2.483 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 32 91.035 4.458 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 32 91.454 5.111 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 32 93.806 5.428 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 32 94.442 5.029 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 32 93.945 3.517 -4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 32 92.832 4.342 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 32 93.376 7.194 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 32 91.762 6.508 -5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 32 92.142 7.230 -3.518 1.00 0.00 H new ATOM 543 N LEU A 33 94.640 2.617 -2.738 1.00 0.00 N ATOM 544 CA LEU A 33 95.981 2.619 -2.168 1.00 0.00 C ATOM 545 C LEU A 33 96.755 3.827 -2.666 1.00 0.00 C ATOM 546 O LEU A 33 96.861 4.068 -3.868 1.00 0.00 O ATOM 547 CB LEU A 33 96.719 1.324 -2.530 1.00 0.00 C ATOM 548 CG LEU A 33 98.229 1.461 -2.235 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.747 0.182 -1.572 1.00 0.00 C ATOM 550 CD2 LEU A 33 98.989 1.687 -3.547 1.00 0.00 C ATOM 0 H LEU A 33 94.556 2.156 -3.644 1.00 0.00 H new ATOM 0 HA LEU A 33 95.901 2.676 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.305 0.492 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.568 1.095 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 33 98.385 2.307 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.813 0.285 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.212 0.014 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.586 -0.665 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.054 1.784 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.825 0.840 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.629 2.598 -4.024 1.00 0.00 H new ATOM 562 N HIS A 34 97.261 4.603 -1.721 1.00 0.00 N ATOM 563 CA HIS A 34 97.997 5.813 -2.049 1.00 0.00 C ATOM 564 C HIS A 34 99.494 5.544 -2.206 1.00 0.00 C ATOM 565 O HIS A 34 100.158 6.233 -2.980 1.00 0.00 O ATOM 566 CB HIS A 34 97.734 6.857 -0.973 1.00 0.00 C ATOM 567 CG HIS A 34 96.352 7.422 -1.159 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.114 8.569 -1.901 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.122 7.001 -0.714 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.786 8.794 -1.881 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.136 7.868 -1.171 1.00 0.00 N ATOM 0 H HIS A 34 97.176 4.417 -0.722 1.00 0.00 H new ATOM 0 HA HIS A 34 97.649 6.187 -3.012 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.826 6.408 0.016 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.476 7.653 -1.033 1.00 0.00 H new ATOM 0 HD2 HIS A 34 94.948 6.129 -0.102 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.305 9.623 -2.379 1.00 0.00 H new ATOM 0 HE2 HIS A 34 93.132 7.810 -1.001 1.00 0.00 H new ATOM 579 N ASP A 35 100.025 4.532 -1.529 1.00 0.00 N ATOM 580 CA ASP A 35 101.449 4.217 -1.697 1.00 0.00 C ATOM 581 C ASP A 35 101.820 2.928 -0.976 1.00 0.00 C ATOM 582 O ASP A 35 101.087 2.454 -0.107 1.00 0.00 O ATOM 583 CB ASP A 35 102.331 5.371 -1.209 1.00 0.00 C ATOM 584 CG ASP A 35 102.266 5.465 0.311 1.00 0.00 C ATOM 585 OD1 ASP A 35 102.990 4.730 0.962 1.00 0.00 O ATOM 586 OD2 ASP A 35 101.494 6.272 0.803 1.00 0.00 O ATOM 0 H ASP A 35 99.517 3.931 -0.880 1.00 0.00 H new ATOM 0 HA ASP A 35 101.626 4.074 -2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.361 5.214 -1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 35 101.998 6.308 -1.655 1.00 0.00 H new ATOM 591 N VAL A 36 102.961 2.358 -1.361 1.00 0.00 N ATOM 592 CA VAL A 36 103.428 1.111 -0.767 1.00 0.00 C ATOM 593 C VAL A 36 104.949 1.090 -0.658 1.00 0.00 C ATOM 594 O VAL A 36 105.643 1.925 -1.240 1.00 0.00 O ATOM 595 CB VAL A 36 102.950 -0.079 -1.612 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.817 -0.204 -2.869 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.053 -1.377 -0.805 1.00 0.00 C ATOM 0 H VAL A 36 103.576 2.740 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 36 103.013 1.035 0.238 1.00 0.00 H new ATOM 0 HB VAL A 36 101.911 0.091 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.474 -1.050 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.739 0.710 -3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.856 -0.362 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.711 -2.213 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.090 -1.542 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.431 -1.301 0.087 1.00 0.00 H new ATOM 607 N SER A 37 105.449 0.105 0.077 1.00 0.00 N ATOM 608 CA SER A 37 106.878 -0.084 0.267 1.00 0.00 C ATOM 609 C SER A 37 107.157 -1.579 0.262 1.00 0.00 C ATOM 610 O SER A 37 106.223 -2.381 0.323 1.00 0.00 O ATOM 611 CB SER A 37 107.323 0.520 1.600 1.00 0.00 C ATOM 612 OG SER A 37 108.740 0.439 1.701 1.00 0.00 O ATOM 0 H SER A 37 104.873 -0.585 0.558 1.00 0.00 H new ATOM 0 HA SER A 37 107.429 0.412 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 37 107.001 1.559 1.668 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.856 -0.013 2.428 1.00 0.00 H new ATOM 0 HG SER A 37 109.030 0.827 2.553 1.00 0.00 H new ATOM 618 N LEU A 38 108.418 -1.970 0.184 1.00 0.00 N ATOM 619 CA LEU A 38 108.731 -3.391 0.165 1.00 0.00 C ATOM 620 C LEU A 38 108.333 -4.039 1.491 1.00 0.00 C ATOM 621 O LEU A 38 108.475 -5.249 1.670 1.00 0.00 O ATOM 622 CB LEU A 38 110.223 -3.604 -0.123 1.00 0.00 C ATOM 623 CG LEU A 38 110.564 -5.102 -0.148 1.00 0.00 C ATOM 624 CD1 LEU A 38 109.586 -5.854 -1.056 1.00 0.00 C ATOM 625 CD2 LEU A 38 111.985 -5.281 -0.686 1.00 0.00 C ATOM 0 H LEU A 38 109.222 -1.345 0.134 1.00 0.00 H new ATOM 0 HA LEU A 38 108.159 -3.867 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.482 -3.151 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.820 -3.103 0.639 1.00 0.00 H new ATOM 0 HG LEU A 38 110.489 -5.502 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 38 109.839 -6.914 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 38 108.570 -5.726 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 38 109.652 -5.457 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 38 112.235 -6.342 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 38 112.046 -4.874 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 38 112.688 -4.755 -0.040 1.00 0.00 H new ATOM 637 N HIS A 39 107.820 -3.231 2.420 1.00 0.00 N ATOM 638 CA HIS A 39 107.403 -3.760 3.717 1.00 0.00 C ATOM 639 C HIS A 39 106.444 -2.809 4.439 1.00 0.00 C ATOM 640 O HIS A 39 106.546 -2.622 5.651 1.00 0.00 O ATOM 641 CB HIS A 39 108.632 -4.005 4.594 1.00 0.00 C ATOM 642 CG HIS A 39 109.523 -2.792 4.565 1.00 0.00 C ATOM 643 ND1 HIS A 39 110.784 -2.815 3.989 1.00 0.00 N ATOM 644 CD2 HIS A 39 109.351 -1.517 5.042 1.00 0.00 C ATOM 645 CE1 HIS A 39 111.317 -1.587 4.133 1.00 0.00 C ATOM 646 NE2 HIS A 39 110.484 -0.757 4.767 1.00 0.00 N ATOM 0 H HIS A 39 107.685 -2.227 2.302 1.00 0.00 H new ATOM 0 HA HIS A 39 106.876 -4.697 3.538 1.00 0.00 H new ATOM 0 HB2 HIS A 39 108.324 -4.218 5.618 1.00 0.00 H new ATOM 0 HB3 HIS A 39 109.178 -4.878 4.237 1.00 0.00 H new ATOM 0 HD2 HIS A 39 108.470 -1.158 5.553 1.00 0.00 H new ATOM 0 HE1 HIS A 39 112.298 -1.307 3.779 1.00 0.00 H new ATOM 0 HE2 HIS A 39 110.644 0.223 5.000 1.00 0.00 H new ATOM 654 N GLY A 40 105.508 -2.219 3.699 1.00 0.00 N ATOM 655 CA GLY A 40 104.543 -1.301 4.304 1.00 0.00 C ATOM 656 C GLY A 40 103.553 -0.775 3.266 1.00 0.00 C ATOM 657 O GLY A 40 103.843 -0.770 2.075 1.00 0.00 O ATOM 0 H GLY A 40 105.397 -2.356 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.002 -1.812 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.071 -0.465 4.763 1.00 0.00 H new ATOM 661 N ILE A 41 102.371 -0.354 3.722 1.00 0.00 N ATOM 662 CA ILE A 41 101.341 0.149 2.809 1.00 0.00 C ATOM 663 C ILE A 41 100.491 1.248 3.453 1.00 0.00 C ATOM 664 O ILE A 41 100.247 1.244 4.658 1.00 0.00 O ATOM 665 CB ILE A 41 100.444 -1.021 2.348 1.00 0.00 C ATOM 666 CG1 ILE A 41 98.959 -0.625 2.401 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.673 -2.231 3.253 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.104 -1.753 1.814 1.00 0.00 C ATOM 0 H ILE A 41 102.105 -0.351 4.707 1.00 0.00 H new ATOM 0 HA ILE A 41 101.841 0.592 1.948 1.00 0.00 H new ATOM 0 HB ILE A 41 100.705 -1.269 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.661 -0.428 3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.798 0.296 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.039 -3.055 2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.719 -2.534 3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.425 -1.968 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.052 -1.470 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.395 -1.929 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.256 -2.664 2.393 1.00 0.00 H new ATOM 680 N LEU A 42 100.027 2.170 2.606 1.00 0.00 N ATOM 681 CA LEU A 42 99.175 3.280 3.036 1.00 0.00 C ATOM 682 C LEU A 42 97.864 3.213 2.259 1.00 0.00 C ATOM 683 O LEU A 42 97.872 3.021 1.043 1.00 0.00 O ATOM 684 CB LEU A 42 99.873 4.620 2.749 1.00 0.00 C ATOM 685 CG LEU A 42 99.610 5.625 3.876 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.520 6.842 3.693 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.154 6.083 3.833 1.00 0.00 C ATOM 0 H LEU A 42 100.231 2.168 1.607 1.00 0.00 H new ATOM 0 HA LEU A 42 98.984 3.205 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.946 4.460 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.515 5.026 1.803 1.00 0.00 H new ATOM 0 HG LEU A 42 99.813 5.148 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.335 7.558 4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.562 6.525 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.312 7.311 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 42 97.973 6.797 4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 42 97.950 6.557 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.498 5.222 3.959 1.00 0.00 H new ATOM 699 N VAL A 43 96.741 3.353 2.952 1.00 0.00 N ATOM 700 CA VAL A 43 95.441 3.280 2.284 1.00 0.00 C ATOM 701 C VAL A 43 94.472 4.334 2.809 1.00 0.00 C ATOM 702 O VAL A 43 94.760 5.043 3.771 1.00 0.00 O ATOM 703 CB VAL A 43 94.830 1.891 2.477 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.766 0.831 1.893 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.631 1.627 3.971 1.00 0.00 C ATOM 0 H VAL A 43 96.699 3.515 3.958 1.00 0.00 H new ATOM 0 HA VAL A 43 95.609 3.471 1.224 1.00 0.00 H new ATOM 0 HB VAL A 43 93.868 1.844 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.328 -0.157 2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.909 1.018 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.729 0.876 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.196 0.638 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.593 1.675 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.962 2.380 4.388 1.00 0.00 H new ATOM 715 N GLY A 44 93.304 4.393 2.179 1.00 0.00 N ATOM 716 CA GLY A 44 92.250 5.325 2.595 1.00 0.00 C ATOM 717 C GLY A 44 91.250 4.587 3.483 1.00 0.00 C ATOM 718 O GLY A 44 90.996 3.402 3.265 1.00 0.00 O ATOM 0 H GLY A 44 93.059 3.810 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.684 6.166 3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.745 5.735 1.721 1.00 0.00 H new ATOM 722 N GLN A 45 90.697 5.255 4.501 1.00 0.00 N ATOM 723 CA GLN A 45 89.761 4.586 5.404 1.00 0.00 C ATOM 724 C GLN A 45 88.319 4.650 4.885 1.00 0.00 C ATOM 725 O GLN A 45 87.764 5.738 4.743 1.00 0.00 O ATOM 726 CB GLN A 45 89.824 5.257 6.785 1.00 0.00 C ATOM 727 CG GLN A 45 89.178 6.649 6.739 1.00 0.00 C ATOM 728 CD GLN A 45 87.699 6.560 7.111 1.00 0.00 C ATOM 729 OE1 GLN A 45 86.854 7.156 6.445 1.00 0.00 O ATOM 730 NE2 GLN A 45 87.337 5.844 8.141 1.00 0.00 N ATOM 0 H GLN A 45 90.877 6.236 4.716 1.00 0.00 H new ATOM 0 HA GLN A 45 90.051 3.537 5.468 1.00 0.00 H new ATOM 0 HB2 GLN A 45 89.312 4.637 7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 45 90.862 5.342 7.107 1.00 0.00 H new ATOM 0 HG2 GLN A 45 89.693 7.319 7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.284 7.074 5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 45 88.040 5.351 8.692 1.00 0.00 H new ATOM 0 HE22 GLN A 45 86.351 5.778 8.395 1.00 0.00 H new ATOM 739 N PRO A 46 87.687 3.538 4.614 1.00 0.00 N ATOM 740 CA PRO A 46 86.280 3.539 4.137 1.00 0.00 C ATOM 741 C PRO A 46 85.295 3.559 5.314 1.00 0.00 C ATOM 742 O PRO A 46 85.669 3.267 6.449 1.00 0.00 O ATOM 743 CB PRO A 46 86.195 2.245 3.339 1.00 0.00 C ATOM 744 CG PRO A 46 87.129 1.308 4.049 1.00 0.00 C ATOM 745 CD PRO A 46 88.219 2.175 4.708 1.00 0.00 C ATOM 0 HA PRO A 46 86.018 4.417 3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.177 1.855 3.322 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.496 2.397 2.302 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.594 0.725 4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.571 0.599 3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.390 1.883 5.744 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.173 2.081 4.189 1.00 0.00 H new ATOM 753 N GLN A 47 84.047 3.925 5.041 1.00 0.00 N ATOM 754 CA GLN A 47 83.029 4.002 6.089 1.00 0.00 C ATOM 755 C GLN A 47 82.707 2.629 6.691 1.00 0.00 C ATOM 756 O GLN A 47 82.503 2.507 7.899 1.00 0.00 O ATOM 757 CB GLN A 47 81.747 4.611 5.514 1.00 0.00 C ATOM 758 CG GLN A 47 82.101 5.792 4.606 1.00 0.00 C ATOM 759 CD GLN A 47 82.991 6.777 5.355 1.00 0.00 C ATOM 760 OE1 GLN A 47 84.166 6.497 5.593 1.00 0.00 O ATOM 761 NE2 GLN A 47 82.501 7.923 5.742 1.00 0.00 N ATOM 0 H GLN A 47 83.715 4.172 4.109 1.00 0.00 H new ATOM 0 HA GLN A 47 83.429 4.629 6.886 1.00 0.00 H new ATOM 0 HB2 GLN A 47 81.196 3.858 4.950 1.00 0.00 H new ATOM 0 HB3 GLN A 47 81.096 4.943 6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 47 82.612 5.434 3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 47 81.191 6.291 4.274 1.00 0.00 H new ATOM 0 HE21 GLN A 47 81.527 8.154 5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 47 83.092 8.587 6.242 1.00 0.00 H new ATOM 770 N ASP A 48 82.637 1.610 5.843 1.00 0.00 N ATOM 771 CA ASP A 48 82.308 0.256 6.298 1.00 0.00 C ATOM 772 C ASP A 48 83.454 -0.379 7.088 1.00 0.00 C ATOM 773 O ASP A 48 83.416 -1.570 7.397 1.00 0.00 O ATOM 774 CB ASP A 48 81.969 -0.622 5.091 1.00 0.00 C ATOM 775 CG ASP A 48 80.570 -0.287 4.580 1.00 0.00 C ATOM 776 OD1 ASP A 48 79.617 -0.809 5.135 1.00 0.00 O ATOM 777 OD2 ASP A 48 80.475 0.485 3.640 1.00 0.00 O ATOM 0 H ASP A 48 82.802 1.690 4.840 1.00 0.00 H new ATOM 0 HA ASP A 48 81.448 0.330 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.702 -0.465 4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.021 -1.674 5.370 1.00 0.00 H new ATOM 782 N TRP A 49 84.470 0.412 7.402 1.00 0.00 N ATOM 783 CA TRP A 49 85.626 -0.091 8.145 1.00 0.00 C ATOM 784 C TRP A 49 85.234 -0.634 9.515 1.00 0.00 C ATOM 785 O TRP A 49 85.617 -0.071 10.538 1.00 0.00 O ATOM 786 CB TRP A 49 86.631 1.036 8.342 1.00 0.00 C ATOM 787 CG TRP A 49 87.900 0.500 8.922 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.215 0.497 10.234 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.012 -0.097 8.225 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.480 -0.061 10.392 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.020 -0.433 9.165 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.237 -0.367 6.868 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.221 -1.020 8.743 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.431 -0.953 6.449 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.420 -1.273 7.380 1.00 0.00 C ATOM 0 H TRP A 49 84.522 1.401 7.157 1.00 0.00 H new ATOM 0 HA TRP A 49 86.059 -0.905 7.563 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.835 1.522 7.388 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.212 1.795 9.003 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.588 0.867 11.031 1.00 0.00 H new ATOM 0 HE1 TRP A 49 89.950 -0.181 11.289 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.479 -0.119 6.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 91.986 -1.275 9.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.591 -1.160 5.401 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.346 -1.719 7.047 1.00 0.00 H new ATOM 806 N ASN A 50 84.500 -1.739 9.548 1.00 0.00 N ATOM 807 CA ASN A 50 84.120 -2.331 10.829 1.00 0.00 C ATOM 808 C ASN A 50 85.145 -3.392 11.221 1.00 0.00 C ATOM 809 O ASN A 50 84.910 -4.587 11.051 1.00 0.00 O ATOM 810 CB ASN A 50 82.713 -2.936 10.747 1.00 0.00 C ATOM 811 CG ASN A 50 82.452 -3.856 11.939 1.00 0.00 C ATOM 812 OD1 ASN A 50 81.476 -4.605 11.938 1.00 0.00 O ATOM 813 ND2 ASN A 50 83.266 -3.845 12.959 1.00 0.00 N ATOM 0 H ASN A 50 84.161 -2.236 8.724 1.00 0.00 H new ATOM 0 HA ASN A 50 84.104 -1.554 11.593 1.00 0.00 H new ATOM 0 HB2 ASN A 50 81.969 -2.139 10.726 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.606 -3.496 9.818 1.00 0.00 H new ATOM 0 HD21 ASN A 50 83.093 -4.458 13.756 1.00 0.00 H new ATOM 0 HD22 ASN A 50 84.075 -3.224 12.959 1.00 0.00 H new ATOM 820 N GLY A 51 86.290 -2.942 11.736 1.00 0.00 N ATOM 821 CA GLY A 51 87.353 -3.862 12.135 1.00 0.00 C ATOM 822 C GLY A 51 88.095 -3.368 13.375 1.00 0.00 C ATOM 823 O GLY A 51 88.283 -2.167 13.567 1.00 0.00 O ATOM 0 H GLY A 51 86.503 -1.956 11.885 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.927 -4.845 12.334 1.00 0.00 H new ATOM 0 HA3 GLY A 51 88.058 -3.981 11.313 1.00 0.00 H new ATOM 827 N ASP A 52 88.515 -4.316 14.206 1.00 0.00 N ATOM 828 CA ASP A 52 89.241 -4.001 15.432 1.00 0.00 C ATOM 829 C ASP A 52 90.709 -3.668 15.127 1.00 0.00 C ATOM 830 O ASP A 52 91.423 -4.479 14.538 1.00 0.00 O ATOM 831 CB ASP A 52 89.173 -5.189 16.394 1.00 0.00 C ATOM 832 CG ASP A 52 89.851 -4.835 17.715 1.00 0.00 C ATOM 833 OD1 ASP A 52 90.733 -3.993 17.701 1.00 0.00 O ATOM 834 OD2 ASP A 52 89.475 -5.412 18.723 1.00 0.00 O ATOM 0 H ASP A 52 88.364 -5.313 14.052 1.00 0.00 H new ATOM 0 HA ASP A 52 88.776 -3.130 15.893 1.00 0.00 H new ATOM 0 HB2 ASP A 52 88.133 -5.463 16.572 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.659 -6.056 15.948 1.00 0.00 H new ATOM 839 N PRO A 53 91.168 -2.495 15.508 1.00 0.00 N ATOM 840 CA PRO A 53 92.578 -2.055 15.258 1.00 0.00 C ATOM 841 C PRO A 53 93.590 -2.968 15.933 1.00 0.00 C ATOM 842 O PRO A 53 94.756 -3.016 15.538 1.00 0.00 O ATOM 843 CB PRO A 53 92.640 -0.631 15.833 1.00 0.00 C ATOM 844 CG PRO A 53 91.484 -0.524 16.769 1.00 0.00 C ATOM 845 CD PRO A 53 90.405 -1.462 16.232 1.00 0.00 C ATOM 0 HA PRO A 53 92.831 -2.090 14.198 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.582 -0.459 16.353 1.00 0.00 H new ATOM 0 HB3 PRO A 53 92.573 0.115 15.041 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.776 -0.807 17.780 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.118 0.501 16.818 1.00 0.00 H new ATOM 0 HD2 PRO A 53 89.812 -1.894 17.038 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.713 -0.939 15.572 1.00 0.00 H new ATOM 853 N GLN A 54 93.146 -3.678 16.958 1.00 0.00 N ATOM 854 CA GLN A 54 94.037 -4.570 17.683 1.00 0.00 C ATOM 855 C GLN A 54 94.251 -5.879 16.926 1.00 0.00 C ATOM 856 O GLN A 54 95.254 -6.561 17.129 1.00 0.00 O ATOM 857 CB GLN A 54 93.465 -4.866 19.070 1.00 0.00 C ATOM 858 CG GLN A 54 93.288 -3.557 19.845 1.00 0.00 C ATOM 859 CD GLN A 54 92.251 -3.735 20.948 1.00 0.00 C ATOM 860 OE1 GLN A 54 92.598 -4.070 22.080 1.00 0.00 O ATOM 861 NE2 GLN A 54 90.990 -3.530 20.682 1.00 0.00 N ATOM 0 H GLN A 54 92.187 -3.655 17.304 1.00 0.00 H new ATOM 0 HA GLN A 54 95.001 -4.072 17.782 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.507 -5.377 18.977 1.00 0.00 H new ATOM 0 HB3 GLN A 54 94.132 -5.535 19.614 1.00 0.00 H new ATOM 0 HG2 GLN A 54 94.240 -3.250 20.277 1.00 0.00 H new ATOM 0 HG3 GLN A 54 92.975 -2.763 19.166 1.00 0.00 H new ATOM 0 HE21 GLN A 54 90.706 -3.252 19.743 1.00 0.00 H new ATOM 0 HE22 GLN A 54 90.289 -3.647 21.413 1.00 0.00 H new ATOM 870 N ARG A 55 93.306 -6.233 16.057 1.00 0.00 N ATOM 871 CA ARG A 55 93.419 -7.472 15.289 1.00 0.00 C ATOM 872 C ARG A 55 94.065 -7.202 13.929 1.00 0.00 C ATOM 873 O ARG A 55 93.897 -6.128 13.357 1.00 0.00 O ATOM 874 CB ARG A 55 92.034 -8.098 15.104 1.00 0.00 C ATOM 875 CG ARG A 55 91.387 -8.312 16.474 1.00 0.00 C ATOM 876 CD ARG A 55 90.003 -8.943 16.298 1.00 0.00 C ATOM 877 NE ARG A 55 90.119 -10.394 16.235 1.00 0.00 N ATOM 878 CZ ARG A 55 90.439 -11.104 17.313 1.00 0.00 C ATOM 879 NH1 ARG A 55 90.645 -10.501 18.452 1.00 0.00 N ATOM 880 NH2 ARG A 55 90.544 -12.401 17.232 1.00 0.00 N ATOM 0 H ARG A 55 92.464 -5.688 15.868 1.00 0.00 H new ATOM 0 HA ARG A 55 94.053 -8.169 15.838 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.408 -7.449 14.491 1.00 0.00 H new ATOM 0 HB3 ARG A 55 92.120 -9.048 14.577 1.00 0.00 H new ATOM 0 HG2 ARG A 55 92.016 -8.957 17.087 1.00 0.00 H new ATOM 0 HG3 ARG A 55 91.299 -7.360 16.998 1.00 0.00 H new ATOM 0 HD2 ARG A 55 89.356 -8.658 17.128 1.00 0.00 H new ATOM 0 HD3 ARG A 55 89.537 -8.568 15.387 1.00 0.00 H new ATOM 0 HE ARG A 55 89.952 -10.873 15.350 1.00 0.00 H new ATOM 0 HH11 ARG A 55 90.560 -9.486 18.515 1.00 0.00 H new ATOM 0 HH12 ARG A 55 90.890 -11.044 19.280 1.00 0.00 H new ATOM 0 HH21 ARG A 55 90.381 -12.871 16.342 1.00 0.00 H new ATOM 0 HH22 ARG A 55 90.789 -12.945 18.059 1.00 0.00 H new ATOM 894 N PRO A 56 94.816 -8.150 13.415 1.00 0.00 N ATOM 895 CA PRO A 56 95.527 -8.008 12.106 1.00 0.00 C ATOM 896 C PRO A 56 94.585 -7.776 10.926 1.00 0.00 C ATOM 897 O PRO A 56 93.392 -8.066 10.994 1.00 0.00 O ATOM 898 CB PRO A 56 96.304 -9.324 11.950 1.00 0.00 C ATOM 899 CG PRO A 56 95.652 -10.291 12.883 1.00 0.00 C ATOM 900 CD PRO A 56 95.069 -9.465 14.026 1.00 0.00 C ATOM 0 HA PRO A 56 96.171 -7.129 12.105 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.263 -9.684 10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.357 -9.189 12.199 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.870 -10.854 12.374 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.375 -11.016 13.258 1.00 0.00 H new ATOM 0 HD2 PRO A 56 94.152 -9.909 14.413 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.765 -9.391 14.862 1.00 0.00 H new ATOM 908 N PHE A 57 95.155 -7.259 9.840 1.00 0.00 N ATOM 909 CA PHE A 57 94.407 -6.984 8.617 1.00 0.00 C ATOM 910 C PHE A 57 95.157 -7.584 7.425 1.00 0.00 C ATOM 911 O PHE A 57 96.369 -7.777 7.500 1.00 0.00 O ATOM 912 CB PHE A 57 94.297 -5.468 8.406 1.00 0.00 C ATOM 913 CG PHE A 57 93.574 -4.825 9.569 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.226 -4.656 10.797 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.251 -4.391 9.418 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.554 -4.056 11.870 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.580 -3.794 10.491 1.00 0.00 C ATOM 918 CZ PHE A 57 92.231 -3.626 11.716 1.00 0.00 C ATOM 0 H PHE A 57 96.145 -7.020 9.783 1.00 0.00 H new ATOM 0 HA PHE A 57 93.412 -7.420 8.701 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.292 -5.035 8.304 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.763 -5.261 7.478 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.247 -4.988 10.917 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.747 -4.517 8.471 1.00 0.00 H new ATOM 0 HE1 PHE A 57 94.057 -3.925 12.817 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.559 -3.463 10.372 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.713 -3.164 12.544 1.00 0.00 H new ATOM 928 N GLU A 58 94.457 -7.857 6.320 1.00 0.00 N ATOM 929 CA GLU A 58 95.128 -8.407 5.134 1.00 0.00 C ATOM 930 C GLU A 58 94.857 -7.507 3.933 1.00 0.00 C ATOM 931 O GLU A 58 93.747 -7.021 3.767 1.00 0.00 O ATOM 932 CB GLU A 58 94.641 -9.830 4.852 1.00 0.00 C ATOM 933 CG GLU A 58 94.989 -10.735 6.036 1.00 0.00 C ATOM 934 CD GLU A 58 94.826 -12.198 5.639 1.00 0.00 C ATOM 935 OE1 GLU A 58 95.181 -12.531 4.520 1.00 0.00 O ATOM 936 OE2 GLU A 58 94.349 -12.964 6.460 1.00 0.00 O ATOM 0 H GLU A 58 93.452 -7.712 6.219 1.00 0.00 H new ATOM 0 HA GLU A 58 96.201 -8.446 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.564 -9.830 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 58 95.105 -10.210 3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 58 96.014 -10.549 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 58 94.342 -10.505 6.883 1.00 0.00 H new ATOM 943 N ALA A 59 95.878 -7.251 3.120 1.00 0.00 N ATOM 944 CA ALA A 59 95.724 -6.367 1.968 1.00 0.00 C ATOM 945 C ALA A 59 95.994 -7.079 0.650 1.00 0.00 C ATOM 946 O ALA A 59 96.985 -7.796 0.505 1.00 0.00 O ATOM 947 CB ALA A 59 96.724 -5.209 2.093 1.00 0.00 C ATOM 0 H ALA A 59 96.814 -7.639 3.236 1.00 0.00 H new ATOM 0 HA ALA A 59 94.692 -6.015 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.617 -4.542 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.527 -4.655 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.739 -5.606 2.120 1.00 0.00 H new ATOM 953 N ARG A 60 95.137 -6.811 -0.327 1.00 0.00 N ATOM 954 CA ARG A 60 95.304 -7.358 -1.665 1.00 0.00 C ATOM 955 C ARG A 60 95.400 -6.195 -2.642 1.00 0.00 C ATOM 956 O ARG A 60 94.548 -5.305 -2.632 1.00 0.00 O ATOM 957 CB ARG A 60 94.108 -8.246 -2.043 1.00 0.00 C ATOM 958 CG ARG A 60 94.263 -9.650 -1.441 1.00 0.00 C ATOM 959 CD ARG A 60 94.509 -9.571 0.068 1.00 0.00 C ATOM 960 NE ARG A 60 93.914 -10.733 0.729 1.00 0.00 N ATOM 961 CZ ARG A 60 94.620 -11.516 1.547 1.00 0.00 C ATOM 962 NH1 ARG A 60 95.879 -11.264 1.785 1.00 0.00 N ATOM 963 NH2 ARG A 60 94.046 -12.543 2.114 1.00 0.00 N ATOM 0 H ARG A 60 94.316 -6.216 -0.216 1.00 0.00 H new ATOM 0 HA ARG A 60 96.206 -7.969 -1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.184 -7.792 -1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.030 -8.317 -3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 60 93.365 -10.236 -1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 60 95.093 -10.167 -1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 60 95.580 -9.535 0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 60 94.078 -8.653 0.468 1.00 0.00 H new ATOM 0 HE ARG A 60 92.932 -10.951 0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 60 96.331 -10.463 1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 60 96.410 -11.868 2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 60 93.063 -12.743 1.931 1.00 0.00 H new ATOM 0 HH22 ARG A 60 94.581 -13.145 2.740 1.00 0.00 H new ATOM 977 N LEU A 61 96.441 -6.179 -3.465 1.00 0.00 N ATOM 978 CA LEU A 61 96.627 -5.085 -4.414 1.00 0.00 C ATOM 979 C LEU A 61 96.396 -5.557 -5.841 1.00 0.00 C ATOM 980 O LEU A 61 96.614 -6.723 -6.164 1.00 0.00 O ATOM 981 CB LEU A 61 98.043 -4.519 -4.284 1.00 0.00 C ATOM 982 CG LEU A 61 98.436 -4.432 -2.806 1.00 0.00 C ATOM 983 CD1 LEU A 61 99.875 -3.927 -2.692 1.00 0.00 C ATOM 984 CD2 LEU A 61 97.498 -3.462 -2.085 1.00 0.00 C ATOM 0 H LEU A 61 97.162 -6.900 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 61 95.899 -4.307 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.748 -5.154 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.092 -3.531 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 61 98.358 -5.419 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 61 100.156 -3.864 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 61 100.544 -4.616 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 61 99.951 -2.940 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 61 97.777 -3.400 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 61 97.576 -2.475 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 61 96.472 -3.820 -2.167 1.00 0.00 H new ATOM 996 N TYR A 62 95.953 -4.636 -6.692 1.00 0.00 N ATOM 997 CA TYR A 62 95.694 -4.963 -8.089 1.00 0.00 C ATOM 998 C TYR A 62 96.324 -3.921 -9.008 1.00 0.00 C ATOM 999 O TYR A 62 95.850 -2.785 -9.100 1.00 0.00 O ATOM 1000 CB TYR A 62 94.187 -5.029 -8.344 1.00 0.00 C ATOM 1001 CG TYR A 62 93.547 -5.978 -7.359 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.098 -5.507 -6.119 1.00 0.00 C ATOM 1003 CD2 TYR A 62 93.401 -7.331 -7.689 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.502 -6.390 -5.208 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.808 -8.213 -6.779 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.358 -7.743 -5.539 1.00 0.00 C ATOM 1007 OH TYR A 62 91.773 -8.615 -4.643 1.00 0.00 O ATOM 0 H TYR A 62 95.767 -3.665 -6.441 1.00 0.00 H new ATOM 0 HA TYR A 62 96.138 -5.936 -8.302 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.748 -4.036 -8.246 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.995 -5.363 -9.364 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.211 -4.463 -5.865 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.746 -7.694 -8.646 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.154 -6.027 -4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 62 92.697 -9.257 -7.033 1.00 0.00 H new ATOM 0 HH TYR A 62 91.750 -9.515 -5.030 1.00 0.00 H new ATOM 1017 N LEU A 63 97.391 -4.328 -9.696 1.00 0.00 N ATOM 1018 CA LEU A 63 98.087 -3.443 -10.627 1.00 0.00 C ATOM 1019 C LEU A 63 97.724 -3.828 -12.058 1.00 0.00 C ATOM 1020 O LEU A 63 96.820 -3.246 -12.655 1.00 0.00 O ATOM 1021 CB LEU A 63 99.604 -3.554 -10.418 1.00 0.00 C ATOM 1022 CG LEU A 63 100.301 -2.306 -10.977 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.794 -2.371 -10.651 1.00 0.00 C ATOM 1024 CD2 LEU A 63 100.114 -2.241 -12.498 1.00 0.00 C ATOM 0 H LEU A 63 97.791 -5.264 -9.626 1.00 0.00 H new ATOM 0 HA LEU A 63 97.784 -2.412 -10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.827 -3.661 -9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.984 -4.447 -10.915 1.00 0.00 H new ATOM 0 HG LEU A 63 99.863 -1.416 -10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 63 102.292 -1.486 -11.047 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.929 -2.410 -9.570 1.00 0.00 H new ATOM 0 HD13 LEU A 63 102.227 -3.263 -11.103 1.00 0.00 H new ATOM 0 HD21 LEU A 63 100.611 -1.353 -12.888 1.00 0.00 H new ATOM 0 HD22 LEU A 63 100.547 -3.130 -12.956 1.00 0.00 H new ATOM 0 HD23 LEU A 63 99.050 -2.194 -12.732 1.00 0.00 H new ATOM 1036 N GLY A 64 98.410 -4.835 -12.588 1.00 0.00 N ATOM 1037 CA GLY A 64 98.124 -5.313 -13.933 1.00 0.00 C ATOM 1038 C GLY A 64 96.871 -6.174 -13.899 1.00 0.00 C ATOM 1039 O GLY A 64 96.316 -6.418 -12.827 1.00 0.00 O ATOM 0 H GLY A 64 99.162 -5.332 -12.110 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.983 -4.470 -14.610 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.967 -5.890 -14.314 1.00 0.00 H new ATOM 1043 N LEU A 65 96.412 -6.634 -15.055 1.00 0.00 N ATOM 1044 CA LEU A 65 95.213 -7.457 -15.082 1.00 0.00 C ATOM 1045 C LEU A 65 95.523 -8.841 -14.512 1.00 0.00 C ATOM 1046 O LEU A 65 94.697 -9.444 -13.828 1.00 0.00 O ATOM 1047 CB LEU A 65 94.678 -7.560 -16.521 1.00 0.00 C ATOM 1048 CG LEU A 65 93.404 -8.425 -16.591 1.00 0.00 C ATOM 1049 CD1 LEU A 65 93.753 -9.919 -16.471 1.00 0.00 C ATOM 1050 CD2 LEU A 65 92.433 -8.027 -15.471 1.00 0.00 C ATOM 0 H LEU A 65 96.839 -6.457 -15.964 1.00 0.00 H new ATOM 0 HA LEU A 65 94.442 -6.996 -14.465 1.00 0.00 H new ATOM 0 HB2 LEU A 65 94.462 -6.562 -16.902 1.00 0.00 H new ATOM 0 HB3 LEU A 65 95.446 -7.988 -17.166 1.00 0.00 H new ATOM 0 HG LEU A 65 92.928 -8.255 -17.557 1.00 0.00 H new ATOM 0 HD11 LEU A 65 92.839 -10.511 -16.523 1.00 0.00 H new ATOM 0 HD12 LEU A 65 94.417 -10.204 -17.287 1.00 0.00 H new ATOM 0 HD13 LEU A 65 94.250 -10.101 -15.518 1.00 0.00 H new ATOM 0 HD21 LEU A 65 91.537 -8.644 -15.530 1.00 0.00 H new ATOM 0 HD22 LEU A 65 92.913 -8.176 -14.504 1.00 0.00 H new ATOM 0 HD23 LEU A 65 92.159 -6.978 -15.583 1.00 0.00 H new ATOM 1062 N ASP A 66 96.730 -9.329 -14.787 1.00 0.00 N ATOM 1063 CA ASP A 66 97.185 -10.632 -14.311 1.00 0.00 C ATOM 1064 C ASP A 66 98.054 -10.490 -13.060 1.00 0.00 C ATOM 1065 O ASP A 66 98.690 -11.452 -12.629 1.00 0.00 O ATOM 1066 CB ASP A 66 98.035 -11.274 -15.414 1.00 0.00 C ATOM 1067 CG ASP A 66 98.109 -12.784 -15.209 1.00 0.00 C ATOM 1068 OD1 ASP A 66 98.186 -13.204 -14.066 1.00 0.00 O ATOM 1069 OD2 ASP A 66 98.083 -13.498 -16.198 1.00 0.00 O ATOM 0 H ASP A 66 97.421 -8.831 -15.347 1.00 0.00 H new ATOM 0 HA ASP A 66 96.314 -11.241 -14.067 1.00 0.00 H new ATOM 0 HB2 ASP A 66 97.604 -11.053 -16.391 1.00 0.00 H new ATOM 0 HB3 ASP A 66 99.038 -10.849 -15.404 1.00 0.00 H new ATOM 1074 N VAL A 67 98.102 -9.286 -12.494 1.00 0.00 N ATOM 1075 CA VAL A 67 98.930 -9.049 -11.309 1.00 0.00 C ATOM 1076 C VAL A 67 98.092 -8.891 -10.048 1.00 0.00 C ATOM 1077 O VAL A 67 97.609 -7.803 -9.729 1.00 0.00 O ATOM 1078 CB VAL A 67 99.808 -7.806 -11.517 1.00 0.00 C ATOM 1079 CG1 VAL A 67 100.320 -7.288 -10.166 1.00 0.00 C ATOM 1080 CG2 VAL A 67 101.005 -8.174 -12.401 1.00 0.00 C ATOM 0 H VAL A 67 97.588 -8.471 -12.828 1.00 0.00 H new ATOM 0 HA VAL A 67 99.564 -9.925 -11.174 1.00 0.00 H new ATOM 0 HB VAL A 67 99.215 -7.028 -11.997 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.941 -6.407 -10.326 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.473 -7.025 -9.533 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.910 -8.064 -9.679 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.631 -7.294 -12.551 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.589 -8.956 -11.916 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.648 -8.534 -13.366 1.00 0.00 H new ATOM 1090 N LEU A 68 97.962 -9.993 -9.322 1.00 0.00 N ATOM 1091 CA LEU A 68 97.227 -10.008 -8.069 1.00 0.00 C ATOM 1092 C LEU A 68 98.222 -10.250 -6.936 1.00 0.00 C ATOM 1093 O LEU A 68 98.894 -11.280 -6.902 1.00 0.00 O ATOM 1094 CB LEU A 68 96.150 -11.111 -8.117 1.00 0.00 C ATOM 1095 CG LEU A 68 95.994 -11.795 -6.745 1.00 0.00 C ATOM 1096 CD1 LEU A 68 94.510 -11.898 -6.378 1.00 0.00 C ATOM 1097 CD2 LEU A 68 96.592 -13.205 -6.801 1.00 0.00 C ATOM 0 H LEU A 68 98.361 -10.895 -9.584 1.00 0.00 H new ATOM 0 HA LEU A 68 96.721 -9.057 -7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.197 -10.680 -8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.419 -11.853 -8.868 1.00 0.00 H new ATOM 0 HG LEU A 68 96.515 -11.201 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 68 94.408 -12.383 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 68 94.076 -10.899 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 68 93.988 -12.486 -7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 68 96.480 -13.686 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 68 96.072 -13.791 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 68 97.650 -13.142 -7.055 1.00 0.00 H new ATOM 1109 N ILE A 69 98.335 -9.288 -6.023 1.00 0.00 N ATOM 1110 CA ILE A 69 99.282 -9.413 -4.914 1.00 0.00 C ATOM 1111 C ILE A 69 98.557 -9.534 -3.573 1.00 0.00 C ATOM 1112 O ILE A 69 97.517 -8.913 -3.355 1.00 0.00 O ATOM 1113 CB ILE A 69 100.225 -8.202 -4.912 1.00 0.00 C ATOM 1114 CG1 ILE A 69 101.188 -8.308 -6.115 1.00 0.00 C ATOM 1115 CG2 ILE A 69 101.029 -8.164 -3.602 1.00 0.00 C ATOM 1116 CD1 ILE A 69 101.147 -7.014 -6.933 1.00 0.00 C ATOM 0 H ILE A 69 97.792 -8.425 -6.026 1.00 0.00 H new ATOM 0 HA ILE A 69 99.863 -10.325 -5.052 1.00 0.00 H new ATOM 0 HB ILE A 69 99.640 -7.286 -4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 69 102.203 -8.494 -5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.908 -9.154 -6.743 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.696 -7.302 -3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.345 -8.087 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.618 -9.077 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.829 -7.097 -7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 69 100.134 -6.846 -7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.449 -6.176 -6.304 1.00 0.00 H new ATOM 1128 N ARG A 70 99.134 -10.341 -2.677 1.00 0.00 N ATOM 1129 CA ARG A 70 98.565 -10.547 -1.347 1.00 0.00 C ATOM 1130 C ARG A 70 99.615 -10.309 -0.263 1.00 0.00 C ATOM 1131 O ARG A 70 100.739 -10.825 -0.331 1.00 0.00 O ATOM 1132 CB ARG A 70 97.995 -11.963 -1.228 1.00 0.00 C ATOM 1133 CG ARG A 70 98.991 -12.979 -1.809 1.00 0.00 C ATOM 1134 CD ARG A 70 98.731 -13.177 -3.308 1.00 0.00 C ATOM 1135 NE ARG A 70 99.935 -13.683 -3.963 1.00 0.00 N ATOM 1136 CZ ARG A 70 99.865 -14.504 -5.009 1.00 0.00 C ATOM 1137 NH1 ARG A 70 98.705 -14.868 -5.482 1.00 0.00 N ATOM 1138 NH2 ARG A 70 100.960 -14.944 -5.568 1.00 0.00 N ATOM 0 H ARG A 70 99.994 -10.861 -2.851 1.00 0.00 H new ATOM 0 HA ARG A 70 97.758 -9.828 -1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 70 97.793 -12.196 -0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 70 97.045 -12.028 -1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 70 100.011 -12.629 -1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 70 98.897 -13.931 -1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 70 97.907 -13.876 -3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 70 98.431 -12.232 -3.761 1.00 0.00 H new ATOM 0 HE ARG A 70 100.850 -13.401 -3.611 1.00 0.00 H new ATOM 0 HH11 ARG A 70 97.847 -14.524 -5.050 1.00 0.00 H new ATOM 0 HH12 ARG A 70 98.656 -15.497 -6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 70 101.869 -14.659 -5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 70 100.906 -15.573 -6.369 1.00 0.00 H new ATOM 1152 N MET A 71 99.232 -9.519 0.737 1.00 0.00 N ATOM 1153 CA MET A 71 100.123 -9.190 1.843 1.00 0.00 C ATOM 1154 C MET A 71 99.334 -9.114 3.148 1.00 0.00 C ATOM 1155 O MET A 71 98.164 -8.741 3.151 1.00 0.00 O ATOM 1156 CB MET A 71 100.805 -7.829 1.583 1.00 0.00 C ATOM 1157 CG MET A 71 100.487 -7.320 0.169 1.00 0.00 C ATOM 1158 SD MET A 71 100.698 -5.521 0.109 1.00 0.00 S ATOM 1159 CE MET A 71 102.319 -5.431 0.911 1.00 0.00 C ATOM 0 H MET A 71 98.307 -9.094 0.803 1.00 0.00 H new ATOM 0 HA MET A 71 100.881 -9.969 1.923 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.467 -7.101 2.321 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.884 -7.929 1.704 1.00 0.00 H new ATOM 0 HG2 MET A 71 101.145 -7.798 -0.557 1.00 0.00 H new ATOM 0 HG3 MET A 71 99.465 -7.586 -0.103 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.644 -4.392 0.958 1.00 0.00 H new ATOM 0 HE2 MET A 71 102.248 -5.835 1.921 1.00 0.00 H new ATOM 0 HE3 MET A 71 103.041 -6.012 0.338 1.00 0.00 H new ATOM 1169 N GLU A 72 99.990 -9.440 4.256 1.00 0.00 N ATOM 1170 CA GLU A 72 99.348 -9.369 5.564 1.00 0.00 C ATOM 1171 C GLU A 72 99.882 -8.139 6.282 1.00 0.00 C ATOM 1172 O GLU A 72 101.097 -7.951 6.355 1.00 0.00 O ATOM 1173 CB GLU A 72 99.647 -10.629 6.380 1.00 0.00 C ATOM 1174 CG GLU A 72 99.056 -10.480 7.783 1.00 0.00 C ATOM 1175 CD GLU A 72 99.071 -11.825 8.502 1.00 0.00 C ATOM 1176 OE1 GLU A 72 98.712 -12.811 7.881 1.00 0.00 O ATOM 1177 OE2 GLU A 72 99.441 -11.849 9.665 1.00 0.00 O ATOM 0 H GLU A 72 100.960 -9.754 4.276 1.00 0.00 H new ATOM 0 HA GLU A 72 98.267 -9.300 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.224 -11.504 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.724 -10.788 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 72 99.629 -9.748 8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 72 98.035 -10.105 7.718 1.00 0.00 H new ATOM 1184 N ILE A 73 99.000 -7.276 6.768 1.00 0.00 N ATOM 1185 CA ILE A 73 99.457 -6.052 7.418 1.00 0.00 C ATOM 1186 C ILE A 73 98.722 -5.763 8.721 1.00 0.00 C ATOM 1187 O ILE A 73 97.604 -6.228 8.943 1.00 0.00 O ATOM 1188 CB ILE A 73 99.236 -4.883 6.463 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.814 -4.972 5.897 1.00 0.00 C ATOM 1190 CG2 ILE A 73 100.255 -4.941 5.315 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.459 -3.674 5.171 1.00 0.00 C ATOM 0 H ILE A 73 97.988 -7.394 6.728 1.00 0.00 H new ATOM 0 HA ILE A 73 100.512 -6.183 7.660 1.00 0.00 H new ATOM 0 HB ILE A 73 99.366 -3.942 6.998 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.739 -5.815 5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.103 -5.154 6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 73 100.089 -4.102 4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.265 -4.885 5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 73 100.135 -5.877 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.447 -3.745 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 73 97.515 -2.839 5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 73 98.161 -3.511 4.353 1.00 0.00 H new ATOM 1203 N SER A 74 99.369 -4.966 9.568 1.00 0.00 N ATOM 1204 CA SER A 74 98.797 -4.572 10.853 1.00 0.00 C ATOM 1205 C SER A 74 98.722 -3.049 10.944 1.00 0.00 C ATOM 1206 O SER A 74 99.465 -2.343 10.262 1.00 0.00 O ATOM 1207 CB SER A 74 99.656 -5.112 11.997 1.00 0.00 C ATOM 1208 OG SER A 74 100.728 -4.210 12.243 1.00 0.00 O ATOM 0 H SER A 74 100.295 -4.579 9.386 1.00 0.00 H new ATOM 0 HA SER A 74 97.793 -4.988 10.933 1.00 0.00 H new ATOM 0 HB2 SER A 74 99.052 -5.231 12.896 1.00 0.00 H new ATOM 0 HB3 SER A 74 100.045 -6.097 11.741 1.00 0.00 H new ATOM 0 HG SER A 74 101.281 -4.551 12.977 1.00 0.00 H new ATOM 1214 N LEU A 75 97.818 -2.548 11.779 1.00 0.00 N ATOM 1215 CA LEU A 75 97.642 -1.107 11.945 1.00 0.00 C ATOM 1216 C LEU A 75 98.883 -0.471 12.563 1.00 0.00 C ATOM 1217 O LEU A 75 99.251 -0.776 13.697 1.00 0.00 O ATOM 1218 CB LEU A 75 96.431 -0.863 12.861 1.00 0.00 C ATOM 1219 CG LEU A 75 95.665 0.392 12.415 1.00 0.00 C ATOM 1220 CD1 LEU A 75 95.133 0.211 10.985 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.487 0.622 13.368 1.00 0.00 C ATOM 0 H LEU A 75 97.195 -3.117 12.352 1.00 0.00 H new ATOM 0 HA LEU A 75 97.480 -0.654 10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.769 -1.728 12.837 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.765 -0.746 13.892 1.00 0.00 H new ATOM 0 HG LEU A 75 96.338 1.249 12.435 1.00 0.00 H new ATOM 0 HD11 LEU A 75 94.592 1.108 10.682 1.00 0.00 H new ATOM 0 HD12 LEU A 75 95.968 0.043 10.305 1.00 0.00 H new ATOM 0 HD13 LEU A 75 94.461 -0.646 10.953 1.00 0.00 H new ATOM 0 HD21 LEU A 75 93.937 1.511 13.059 1.00 0.00 H new ATOM 0 HD22 LEU A 75 93.823 -0.242 13.341 1.00 0.00 H new ATOM 0 HD23 LEU A 75 94.861 0.761 14.382 1.00 0.00 H new ATOM 1233 N ALA A 76 99.495 0.452 11.822 1.00 0.00 N ATOM 1234 CA ALA A 76 100.662 1.170 12.323 1.00 0.00 C ATOM 1235 C ALA A 76 100.252 2.535 12.890 1.00 0.00 C ATOM 1236 O ALA A 76 100.741 2.960 13.936 1.00 0.00 O ATOM 1237 CB ALA A 76 101.712 1.315 11.222 1.00 0.00 C ATOM 0 H ALA A 76 99.204 0.717 10.881 1.00 0.00 H new ATOM 0 HA ALA A 76 101.107 0.594 13.135 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.576 1.853 11.612 1.00 0.00 H new ATOM 0 HB2 ALA A 76 102.022 0.327 10.883 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.287 1.869 10.385 1.00 0.00 H new ATOM 1243 N TRP A 77 99.351 3.213 12.178 1.00 0.00 N ATOM 1244 CA TRP A 77 98.868 4.534 12.593 1.00 0.00 C ATOM 1245 C TRP A 77 97.690 4.959 11.711 1.00 0.00 C ATOM 1246 O TRP A 77 97.413 4.330 10.692 1.00 0.00 O ATOM 1247 CB TRP A 77 99.998 5.564 12.450 1.00 0.00 C ATOM 1248 CG TRP A 77 100.374 5.627 11.010 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.370 4.917 10.438 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.773 6.425 9.946 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.367 5.163 9.083 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.421 6.106 8.734 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.725 7.363 9.907 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 100.058 6.699 7.527 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.353 7.966 8.691 1.00 0.00 C ATOM 1256 CH2 TRP A 77 99.023 7.638 7.503 1.00 0.00 C ATOM 0 H TRP A 77 98.940 2.870 11.310 1.00 0.00 H new ATOM 0 HA TRP A 77 98.545 4.482 13.633 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.671 6.542 12.803 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.856 5.277 13.057 1.00 0.00 H new ATOM 0 HD1 TRP A 77 102.056 4.264 10.957 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.989 4.704 8.417 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.203 7.622 10.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.573 6.435 6.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.547 8.685 8.672 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.740 8.109 6.573 1.00 0.00 H new ATOM 1267 N ALA A 78 97.015 6.041 12.096 1.00 0.00 N ATOM 1268 CA ALA A 78 95.886 6.552 11.314 1.00 0.00 C ATOM 1269 C ALA A 78 95.757 8.060 11.507 1.00 0.00 C ATOM 1270 O ALA A 78 95.633 8.530 12.639 1.00 0.00 O ATOM 1271 CB ALA A 78 94.597 5.882 11.796 1.00 0.00 C ATOM 0 H ALA A 78 97.226 6.578 12.937 1.00 0.00 H new ATOM 0 HA ALA A 78 96.055 6.334 10.260 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.753 6.258 11.218 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.676 4.803 11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.443 6.107 12.851 1.00 0.00 H new ATOM 1277 N ARG A 79 95.779 8.826 10.414 1.00 0.00 N ATOM 1278 CA ARG A 79 95.652 10.276 10.540 1.00 0.00 C ATOM 1279 C ARG A 79 95.030 10.931 9.300 1.00 0.00 C ATOM 1280 O ARG A 79 95.458 10.682 8.174 1.00 0.00 O ATOM 1281 CB ARG A 79 97.037 10.886 10.841 1.00 0.00 C ATOM 1282 CG ARG A 79 97.267 12.167 10.025 1.00 0.00 C ATOM 1283 CD ARG A 79 98.568 12.835 10.474 1.00 0.00 C ATOM 1284 NE ARG A 79 99.039 13.759 9.447 1.00 0.00 N ATOM 1285 CZ ARG A 79 98.494 14.963 9.302 1.00 0.00 C ATOM 1286 NH1 ARG A 79 97.528 15.341 10.094 1.00 0.00 N ATOM 1287 NH2 ARG A 79 98.928 15.768 8.370 1.00 0.00 N ATOM 0 H ARG A 79 95.880 8.479 9.460 1.00 0.00 H new ATOM 0 HA ARG A 79 94.969 10.477 11.365 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.116 11.110 11.905 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.816 10.159 10.610 1.00 0.00 H new ATOM 0 HG2 ARG A 79 97.316 11.929 8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.430 12.851 10.160 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.407 13.371 11.409 1.00 0.00 H new ATOM 0 HD3 ARG A 79 99.327 12.077 10.668 1.00 0.00 H new ATOM 0 HE ARG A 79 99.800 13.476 8.829 1.00 0.00 H new ATOM 0 HH11 ARG A 79 97.192 14.713 10.824 1.00 0.00 H new ATOM 0 HH12 ARG A 79 97.110 16.265 9.983 1.00 0.00 H new ATOM 0 HH21 ARG A 79 99.685 15.473 7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 79 98.510 16.692 8.259 1.00 0.00 H new ATOM 1301 N ASP A 80 94.067 11.823 9.531 1.00 0.00 N ATOM 1302 CA ASP A 80 93.445 12.578 8.444 1.00 0.00 C ATOM 1303 C ASP A 80 92.824 11.706 7.353 1.00 0.00 C ATOM 1304 O ASP A 80 93.011 11.982 6.168 1.00 0.00 O ATOM 1305 CB ASP A 80 94.484 13.504 7.809 1.00 0.00 C ATOM 1306 CG ASP A 80 94.867 14.607 8.788 1.00 0.00 C ATOM 1307 OD1 ASP A 80 94.341 14.604 9.890 1.00 0.00 O ATOM 1308 OD2 ASP A 80 95.681 15.439 8.424 1.00 0.00 O ATOM 0 H ASP A 80 93.702 12.040 10.458 1.00 0.00 H new ATOM 0 HA ASP A 80 92.628 13.141 8.895 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.369 12.933 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 80 94.083 13.941 6.895 1.00 0.00 H new ATOM 1313 N GLY A 81 92.045 10.696 7.727 1.00 0.00 N ATOM 1314 CA GLY A 81 91.374 9.870 6.727 1.00 0.00 C ATOM 1315 C GLY A 81 92.246 8.738 6.196 1.00 0.00 C ATOM 1316 O GLY A 81 91.726 7.706 5.774 1.00 0.00 O ATOM 0 H GLY A 81 91.864 10.432 8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.468 9.448 7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 81 91.063 10.501 5.894 1.00 0.00 H new ATOM 1320 N LEU A 82 93.560 8.921 6.193 1.00 0.00 N ATOM 1321 CA LEU A 82 94.444 7.883 5.675 1.00 0.00 C ATOM 1322 C LEU A 82 94.849 6.921 6.786 1.00 0.00 C ATOM 1323 O LEU A 82 94.782 7.256 7.968 1.00 0.00 O ATOM 1324 CB LEU A 82 95.687 8.519 5.052 1.00 0.00 C ATOM 1325 CG LEU A 82 95.300 9.834 4.372 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.521 10.413 3.654 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.189 9.573 3.352 1.00 0.00 C ATOM 0 H LEU A 82 94.030 9.759 6.535 1.00 0.00 H new ATOM 0 HA LEU A 82 93.909 7.321 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.439 8.702 5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.132 7.839 4.326 1.00 0.00 H new ATOM 0 HG LEU A 82 94.947 10.541 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.247 11.350 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.315 10.597 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 82 96.872 9.705 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 82 93.913 10.509 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.543 8.866 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.319 9.157 3.860 1.00 0.00 H new ATOM 1339 N LEU A 83 95.256 5.717 6.394 1.00 0.00 N ATOM 1340 CA LEU A 83 95.653 4.698 7.358 1.00 0.00 C ATOM 1341 C LEU A 83 96.999 4.094 7.004 1.00 0.00 C ATOM 1342 O LEU A 83 97.240 3.753 5.846 1.00 0.00 O ATOM 1343 CB LEU A 83 94.637 3.555 7.303 1.00 0.00 C ATOM 1344 CG LEU A 83 93.225 4.093 7.522 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.222 2.956 7.302 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.088 4.630 8.953 1.00 0.00 C ATOM 0 H LEU A 83 95.319 5.425 5.419 1.00 0.00 H new ATOM 0 HA LEU A 83 95.705 5.169 8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.697 3.052 6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.873 2.812 8.065 1.00 0.00 H new ATOM 0 HG LEU A 83 93.028 4.903 6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.209 3.329 7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.318 2.578 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.423 2.151 8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.078 5.012 9.103 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.281 3.826 9.663 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.807 5.434 9.111 1.00 0.00 H new ATOM 1358 N GLY A 84 97.867 3.928 7.989 1.00 0.00 N ATOM 1359 CA GLY A 84 99.163 3.327 7.734 1.00 0.00 C ATOM 1360 C GLY A 84 99.112 1.853 8.072 1.00 0.00 C ATOM 1361 O GLY A 84 98.328 1.426 8.919 1.00 0.00 O ATOM 0 H GLY A 84 97.700 4.197 8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.438 3.462 6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.929 3.822 8.332 1.00 0.00 H new ATOM 1365 N PHE A 85 99.936 1.075 7.400 1.00 0.00 N ATOM 1366 CA PHE A 85 99.958 -0.356 7.632 1.00 0.00 C ATOM 1367 C PHE A 85 101.364 -0.907 7.481 1.00 0.00 C ATOM 1368 O PHE A 85 102.051 -0.612 6.502 1.00 0.00 O ATOM 1369 CB PHE A 85 99.032 -1.030 6.626 1.00 0.00 C ATOM 1370 CG PHE A 85 97.618 -0.992 7.144 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.216 -1.891 8.136 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.713 -0.057 6.634 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.905 -1.856 8.620 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.401 -0.020 7.118 1.00 0.00 C ATOM 1375 CZ PHE A 85 94.998 -0.920 8.112 1.00 0.00 C ATOM 0 H PHE A 85 100.594 1.405 6.694 1.00 0.00 H new ATOM 0 HA PHE A 85 99.622 -0.557 8.649 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.092 -0.523 5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.344 -2.062 6.463 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.918 -2.612 8.528 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.026 0.636 5.867 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.593 -2.551 9.385 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.700 0.702 6.726 1.00 0.00 H new ATOM 0 HZ PHE A 85 93.986 -0.892 8.487 1.00 0.00 H new ATOM 1385 N GLU A 86 101.791 -1.716 8.444 1.00 0.00 N ATOM 1386 CA GLU A 86 103.122 -2.303 8.387 1.00 0.00 C ATOM 1387 C GLU A 86 103.010 -3.770 7.975 1.00 0.00 C ATOM 1388 O GLU A 86 102.251 -4.534 8.571 1.00 0.00 O ATOM 1389 CB GLU A 86 103.803 -2.195 9.753 1.00 0.00 C ATOM 1390 CG GLU A 86 105.275 -2.603 9.633 1.00 0.00 C ATOM 1391 CD GLU A 86 105.833 -2.955 11.007 1.00 0.00 C ATOM 1392 OE1 GLU A 86 105.313 -2.445 11.986 1.00 0.00 O ATOM 1393 OE2 GLU A 86 106.773 -3.731 11.061 1.00 0.00 O ATOM 0 H GLU A 86 101.242 -1.977 9.263 1.00 0.00 H new ATOM 0 HA GLU A 86 103.723 -1.765 7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 86 103.729 -1.174 10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.296 -2.836 10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 86 105.370 -3.457 8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 86 105.852 -1.789 9.195 1.00 0.00 H new ATOM 1400 N CYS A 87 103.744 -4.148 6.935 1.00 0.00 N ATOM 1401 CA CYS A 87 103.693 -5.518 6.431 1.00 0.00 C ATOM 1402 C CYS A 87 104.322 -6.511 7.404 1.00 0.00 C ATOM 1403 O CYS A 87 105.495 -6.396 7.757 1.00 0.00 O ATOM 1404 CB CYS A 87 104.418 -5.602 5.088 1.00 0.00 C ATOM 1405 SG CYS A 87 104.474 -7.326 4.541 1.00 0.00 S ATOM 0 H CYS A 87 104.378 -3.531 6.426 1.00 0.00 H new ATOM 0 HA CYS A 87 102.642 -5.783 6.312 1.00 0.00 H new ATOM 0 HB2 CYS A 87 103.904 -4.990 4.346 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.429 -5.206 5.183 1.00 0.00 H new ATOM 0 HG CYS A 87 105.089 -7.399 3.398 1.00 0.00 H new ATOM 1411 N GLN A 88 103.529 -7.497 7.818 1.00 0.00 N ATOM 1412 CA GLN A 88 104.007 -8.528 8.735 1.00 0.00 C ATOM 1413 C GLN A 88 104.471 -9.752 7.953 1.00 0.00 C ATOM 1414 O GLN A 88 105.407 -10.442 8.355 1.00 0.00 O ATOM 1415 CB GLN A 88 102.891 -8.937 9.700 1.00 0.00 C ATOM 1416 CG GLN A 88 102.145 -7.694 10.182 1.00 0.00 C ATOM 1417 CD GLN A 88 103.112 -6.748 10.886 1.00 0.00 C ATOM 1418 OE1 GLN A 88 104.016 -7.195 11.590 1.00 0.00 O ATOM 1419 NE2 GLN A 88 102.976 -5.459 10.736 1.00 0.00 N ATOM 0 H GLN A 88 102.555 -7.603 7.534 1.00 0.00 H new ATOM 0 HA GLN A 88 104.844 -8.123 9.303 1.00 0.00 H new ATOM 0 HB2 GLN A 88 102.200 -9.618 9.204 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.311 -9.473 10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 88 101.679 -7.188 9.336 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.344 -7.981 10.863 1.00 0.00 H new ATOM 0 HE21 GLN A 88 102.226 -5.090 10.152 1.00 0.00 H new ATOM 0 HE22 GLN A 88 103.620 -4.820 11.203 1.00 0.00 H new ATOM 1428 N HIS A 89 103.806 -10.015 6.830 1.00 0.00 N ATOM 1429 CA HIS A 89 104.153 -11.157 5.992 1.00 0.00 C ATOM 1430 C HIS A 89 103.564 -10.980 4.596 1.00 0.00 C ATOM 1431 O HIS A 89 102.460 -10.477 4.441 1.00 0.00 O ATOM 1432 CB HIS A 89 103.632 -12.455 6.635 1.00 0.00 C ATOM 1433 CG HIS A 89 102.687 -13.160 5.698 1.00 0.00 C ATOM 1434 ND1 HIS A 89 103.104 -13.694 4.488 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.343 -13.422 5.780 1.00 0.00 C ATOM 1436 CE1 HIS A 89 102.029 -14.245 3.895 1.00 0.00 C ATOM 1437 NE2 HIS A 89 100.929 -14.109 4.640 1.00 0.00 N ATOM 0 H HIS A 89 103.028 -9.455 6.482 1.00 0.00 H new ATOM 0 HA HIS A 89 105.238 -11.220 5.905 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.469 -13.109 6.879 1.00 0.00 H new ATOM 0 HB3 HIS A 89 103.123 -12.226 7.571 1.00 0.00 H new ATOM 0 HD2 HIS A 89 100.703 -13.139 6.603 1.00 0.00 H new ATOM 0 HE1 HIS A 89 102.053 -14.737 2.934 1.00 0.00 H new ATOM 0 HE2 HIS A 89 99.988 -14.437 4.422 1.00 0.00 H new ATOM 1445 N ILE A 90 104.317 -11.388 3.587 1.00 0.00 N ATOM 1446 CA ILE A 90 103.876 -11.265 2.200 1.00 0.00 C ATOM 1447 C ILE A 90 104.379 -12.452 1.384 1.00 0.00 C ATOM 1448 O ILE A 90 105.488 -12.945 1.591 1.00 0.00 O ATOM 1449 CB ILE A 90 104.373 -9.945 1.610 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.018 -9.885 0.118 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.889 -9.836 1.794 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.351 -8.498 -0.445 1.00 0.00 C ATOM 0 H ILE A 90 105.239 -11.809 3.699 1.00 0.00 H new ATOM 0 HA ILE A 90 102.786 -11.266 2.167 1.00 0.00 H new ATOM 0 HB ILE A 90 103.893 -9.113 2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.571 -10.650 -0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 90 102.958 -10.098 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.240 -8.894 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.130 -9.870 2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.378 -10.666 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.096 -8.464 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 90 103.778 -7.741 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.416 -8.301 -0.322 1.00 0.00 H new ATOM 1464 N ASP A 91 103.521 -12.927 0.479 1.00 0.00 N ATOM 1465 CA ASP A 91 103.848 -14.089 -0.346 1.00 0.00 C ATOM 1466 C ASP A 91 105.101 -13.867 -1.194 1.00 0.00 C ATOM 1467 O ASP A 91 105.339 -12.776 -1.713 1.00 0.00 O ATOM 1468 CB ASP A 91 102.662 -14.436 -1.250 1.00 0.00 C ATOM 1469 CG ASP A 91 101.572 -15.127 -0.438 1.00 0.00 C ATOM 1470 OD1 ASP A 91 101.258 -14.637 0.635 1.00 0.00 O ATOM 1471 OD2 ASP A 91 101.066 -16.137 -0.900 1.00 0.00 O ATOM 0 H ASP A 91 102.600 -12.527 0.300 1.00 0.00 H new ATOM 0 HA ASP A 91 104.056 -14.919 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 91 102.266 -13.530 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.990 -15.086 -2.061 1.00 0.00 H new ATOM 1476 N LEU A 92 105.895 -14.928 -1.311 1.00 0.00 N ATOM 1477 CA LEU A 92 107.138 -14.880 -2.080 1.00 0.00 C ATOM 1478 C LEU A 92 106.874 -14.387 -3.501 1.00 0.00 C ATOM 1479 O LEU A 92 107.634 -13.580 -4.037 1.00 0.00 O ATOM 1480 CB LEU A 92 107.768 -16.274 -2.128 1.00 0.00 C ATOM 1481 CG LEU A 92 109.233 -16.168 -2.567 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.085 -15.581 -1.432 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.753 -17.563 -2.925 1.00 0.00 C ATOM 0 H LEU A 92 105.701 -15.833 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 92 107.822 -14.185 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.706 -16.745 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.216 -16.909 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 92 109.300 -15.512 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 92 111.123 -15.511 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 92 109.716 -14.588 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 92 110.021 -16.228 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.795 -17.494 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.678 -18.214 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 92 109.156 -17.976 -3.738 1.00 0.00 H new ATOM 1495 N ASP A 93 105.791 -14.863 -4.103 1.00 0.00 N ATOM 1496 CA ASP A 93 105.437 -14.449 -5.452 1.00 0.00 C ATOM 1497 C ASP A 93 105.089 -12.964 -5.452 1.00 0.00 C ATOM 1498 O ASP A 93 105.462 -12.225 -6.363 1.00 0.00 O ATOM 1499 CB ASP A 93 104.242 -15.269 -5.961 1.00 0.00 C ATOM 1500 CG ASP A 93 104.727 -16.448 -6.801 1.00 0.00 C ATOM 1501 OD1 ASP A 93 104.949 -16.253 -7.985 1.00 0.00 O ATOM 1502 OD2 ASP A 93 104.870 -17.525 -6.248 1.00 0.00 O ATOM 0 H ASP A 93 105.147 -15.532 -3.680 1.00 0.00 H new ATOM 0 HA ASP A 93 106.285 -14.622 -6.115 1.00 0.00 H new ATOM 0 HB2 ASP A 93 103.656 -15.632 -5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 93 103.585 -14.635 -6.557 1.00 0.00 H new ATOM 1507 N SER A 94 104.381 -12.535 -4.412 1.00 0.00 N ATOM 1508 CA SER A 94 103.994 -11.136 -4.284 1.00 0.00 C ATOM 1509 C SER A 94 105.217 -10.278 -4.002 1.00 0.00 C ATOM 1510 O SER A 94 105.310 -9.139 -4.457 1.00 0.00 O ATOM 1511 CB SER A 94 102.997 -10.971 -3.141 1.00 0.00 C ATOM 1512 OG SER A 94 103.061 -9.635 -2.664 1.00 0.00 O ATOM 0 H SER A 94 104.065 -13.134 -3.649 1.00 0.00 H new ATOM 0 HA SER A 94 103.534 -10.818 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 94 101.988 -11.201 -3.485 1.00 0.00 H new ATOM 0 HB3 SER A 94 103.227 -11.670 -2.337 1.00 0.00 H new ATOM 0 HG SER A 94 102.389 -9.506 -1.962 1.00 0.00 H new ATOM 1518 N ILE A 95 106.154 -10.838 -3.246 1.00 0.00 N ATOM 1519 CA ILE A 95 107.371 -10.117 -2.904 1.00 0.00 C ATOM 1520 C ILE A 95 108.103 -9.710 -4.173 1.00 0.00 C ATOM 1521 O ILE A 95 108.679 -8.624 -4.248 1.00 0.00 O ATOM 1522 CB ILE A 95 108.287 -11.004 -2.046 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.766 -11.037 -0.607 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.715 -10.445 -2.056 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.515 -12.105 0.198 1.00 0.00 C ATOM 0 H ILE A 95 106.095 -11.781 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 95 107.104 -9.225 -2.337 1.00 0.00 H new ATOM 0 HB ILE A 95 108.293 -12.013 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.898 -10.060 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.697 -11.250 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.358 -11.079 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.091 -10.425 -3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.713 -9.433 -1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.138 -12.121 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.361 -13.081 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.580 -11.873 0.208 1.00 0.00 H new ATOM 1537 N SER A 96 108.092 -10.592 -5.167 1.00 0.00 N ATOM 1538 CA SER A 96 108.779 -10.302 -6.415 1.00 0.00 C ATOM 1539 C SER A 96 108.053 -9.216 -7.200 1.00 0.00 C ATOM 1540 O SER A 96 108.692 -8.366 -7.817 1.00 0.00 O ATOM 1541 CB SER A 96 108.913 -11.564 -7.260 1.00 0.00 C ATOM 1542 OG SER A 96 110.252 -11.689 -7.719 1.00 0.00 O ATOM 0 H SER A 96 107.623 -11.497 -5.133 1.00 0.00 H new ATOM 0 HA SER A 96 109.777 -9.937 -6.171 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.636 -12.439 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.230 -11.521 -8.108 1.00 0.00 H new ATOM 0 HG SER A 96 110.338 -12.501 -8.261 1.00 0.00 H new ATOM 1548 N HIS A 97 106.727 -9.230 -7.181 1.00 0.00 N ATOM 1549 CA HIS A 97 105.993 -8.211 -7.911 1.00 0.00 C ATOM 1550 C HIS A 97 106.298 -6.844 -7.304 1.00 0.00 C ATOM 1551 O HIS A 97 106.419 -5.851 -8.018 1.00 0.00 O ATOM 1552 CB HIS A 97 104.493 -8.488 -7.882 1.00 0.00 C ATOM 1553 CG HIS A 97 104.136 -9.529 -8.902 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.993 -9.223 -10.245 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.867 -10.870 -8.792 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.649 -10.353 -10.884 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.560 -11.390 -10.046 1.00 0.00 N ATOM 0 H HIS A 97 106.154 -9.913 -6.685 1.00 0.00 H new ATOM 0 HA HIS A 97 106.309 -8.225 -8.954 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.198 -8.826 -6.889 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.943 -7.569 -8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.890 -11.436 -7.872 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.466 -10.416 -11.947 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.319 -12.354 -10.276 1.00 0.00 H new