USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=12 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 Single : A 20 SER OG : rot 23:sc= 0.0116 USER MOD Single : A 24 GLN :FLIP amide:sc= -12.2! C(o=-13!,f=-12!) USER MOD Single : A 34 HIS : no HE2:sc= -0.054 K(o=-0.054,f=-1.6) USER MOD Single : A 37 SER OG : rot 180:sc= -0.13 USER MOD Single : A 39 HIS : no HD1:sc= -5.39! C(o=-5.4!,f=-5.3!) USER MOD Single : A 45 GLN : amide:sc= -3.13! C(o=-3.1!,f=-4.9!) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.4! C(o=-4.2!,f=-1.4!) USER MOD Single : A 50 ASN : amide:sc= -0.891! K(o=-0.89!,f=-1.7) USER MOD Single : A 54 GLN : amide:sc= -2.24 K(o=-2.2,f=-12!) USER MOD Single : A 62 TYR OH : rot 15:sc= 0.327 USER MOD Single : A 71 MET CE :methyl -159:sc= 0 (180deg=-0.493) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.902 F(o=-7.1!,f=-0.9) USER MOD Single : A 89 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-5.1!) USER MOD Single : A 94 SER OG : rot 50:sc= 0.333 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 235 N ILE A 14 107.525 3.904 -2.762 1.00 0.00 N ATOM 236 CA ILE A 14 107.017 3.896 -4.128 1.00 0.00 C ATOM 237 C ILE A 14 105.552 4.304 -4.143 1.00 0.00 C ATOM 238 O ILE A 14 104.668 3.498 -3.849 1.00 0.00 O ATOM 239 CB ILE A 14 107.175 2.503 -4.741 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.647 2.264 -5.098 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.319 2.391 -6.007 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.497 2.259 -3.824 1.00 0.00 C ATOM 0 HA ILE A 14 107.591 4.610 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 14 106.848 1.755 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.754 1.314 -5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 14 108.997 3.042 -5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.436 1.397 -6.439 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.272 2.556 -5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 14 106.640 3.141 -6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.542 2.089 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.401 3.220 -3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.154 1.465 -3.161 1.00 0.00 H new ATOM 254 N ALA A 15 105.301 5.562 -4.479 1.00 0.00 N ATOM 255 CA ALA A 15 103.935 6.065 -4.520 1.00 0.00 C ATOM 256 C ALA A 15 103.360 5.985 -5.925 1.00 0.00 C ATOM 257 O ALA A 15 103.860 6.613 -6.858 1.00 0.00 O ATOM 258 CB ALA A 15 103.903 7.521 -4.054 1.00 0.00 C ATOM 0 H ALA A 15 106.016 6.246 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 15 103.331 5.444 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 15 102.878 7.891 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.279 7.585 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.529 8.127 -4.709 1.00 0.00 H new ATOM 264 N PHE A 16 102.274 5.239 -6.045 1.00 0.00 N ATOM 265 CA PHE A 16 101.571 5.097 -7.308 1.00 0.00 C ATOM 266 C PHE A 16 100.097 4.859 -7.012 1.00 0.00 C ATOM 267 O PHE A 16 99.748 4.451 -5.903 1.00 0.00 O ATOM 268 CB PHE A 16 102.166 3.958 -8.144 1.00 0.00 C ATOM 269 CG PHE A 16 101.764 2.619 -7.578 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.211 2.232 -6.310 1.00 0.00 C ATOM 271 CD2 PHE A 16 100.956 1.757 -8.329 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.847 0.983 -5.793 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.596 0.509 -7.814 1.00 0.00 C ATOM 274 CZ PHE A 16 101.041 0.121 -6.546 1.00 0.00 C ATOM 0 H PHE A 16 101.857 4.718 -5.274 1.00 0.00 H new ATOM 0 HA PHE A 16 101.680 6.007 -7.897 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.825 4.040 -9.176 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.253 4.041 -8.160 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.836 2.896 -5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 16 100.611 2.057 -9.307 1.00 0.00 H new ATOM 0 HE1 PHE A 16 102.188 0.684 -4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 16 99.974 -0.156 -8.395 1.00 0.00 H new ATOM 0 HZ PHE A 16 100.763 -0.844 -6.148 1.00 0.00 H new ATOM 284 N ASP A 17 99.227 5.123 -7.974 1.00 0.00 N ATOM 285 CA ASP A 17 97.798 4.936 -7.746 1.00 0.00 C ATOM 286 C ASP A 17 97.342 3.569 -8.248 1.00 0.00 C ATOM 287 O ASP A 17 97.845 3.062 -9.250 1.00 0.00 O ATOM 288 CB ASP A 17 97.009 6.036 -8.466 1.00 0.00 C ATOM 289 CG ASP A 17 97.852 7.302 -8.569 1.00 0.00 C ATOM 290 OD1 ASP A 17 98.873 7.257 -9.235 1.00 0.00 O ATOM 291 OD2 ASP A 17 97.464 8.298 -7.981 1.00 0.00 O ATOM 0 H ASP A 17 99.475 5.461 -8.904 1.00 0.00 H new ATOM 0 HA ASP A 17 97.612 4.992 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 17 96.724 5.697 -9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 17 96.087 6.247 -7.925 1.00 0.00 H new ATOM 296 N ALA A 18 96.371 2.987 -7.548 1.00 0.00 N ATOM 297 CA ALA A 18 95.828 1.689 -7.927 1.00 0.00 C ATOM 298 C ALA A 18 94.710 1.297 -6.967 1.00 0.00 C ATOM 299 O ALA A 18 94.424 2.013 -6.008 1.00 0.00 O ATOM 300 CB ALA A 18 96.918 0.615 -7.928 1.00 0.00 C ATOM 0 H ALA A 18 95.945 3.395 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 18 95.428 1.767 -8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.484 -0.343 -8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.697 0.888 -8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.350 0.534 -6.931 1.00 0.00 H new ATOM 306 N ASP A 19 94.076 0.164 -7.238 1.00 0.00 N ATOM 307 CA ASP A 19 92.980 -0.305 -6.394 1.00 0.00 C ATOM 308 C ASP A 19 93.474 -1.318 -5.370 1.00 0.00 C ATOM 309 O ASP A 19 94.193 -2.257 -5.711 1.00 0.00 O ATOM 310 CB ASP A 19 91.889 -0.939 -7.265 1.00 0.00 C ATOM 311 CG ASP A 19 90.987 -1.838 -6.422 1.00 0.00 C ATOM 312 OD1 ASP A 19 90.633 -1.430 -5.328 1.00 0.00 O ATOM 313 OD2 ASP A 19 90.666 -2.921 -6.884 1.00 0.00 O ATOM 0 H ASP A 19 94.297 -0.444 -8.027 1.00 0.00 H new ATOM 0 HA ASP A 19 92.569 0.551 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.294 -0.158 -7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 19 92.347 -1.521 -8.065 1.00 0.00 H new ATOM 318 N SER A 20 93.057 -1.143 -4.119 1.00 0.00 N ATOM 319 CA SER A 20 93.439 -2.072 -3.065 1.00 0.00 C ATOM 320 C SER A 20 92.216 -2.472 -2.247 1.00 0.00 C ATOM 321 O SER A 20 91.268 -1.704 -2.098 1.00 0.00 O ATOM 322 CB SER A 20 94.495 -1.446 -2.159 1.00 0.00 C ATOM 323 OG SER A 20 94.138 -0.096 -1.892 1.00 0.00 O ATOM 0 H SER A 20 92.460 -0.374 -3.814 1.00 0.00 H new ATOM 0 HA SER A 20 93.862 -2.964 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.571 -2.006 -1.227 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.474 -1.489 -2.637 1.00 0.00 H new ATOM 0 HG SER A 20 93.173 0.018 -2.019 1.00 0.00 H new ATOM 329 N GLU A 21 92.257 -3.686 -1.719 1.00 0.00 N ATOM 330 CA GLU A 21 91.165 -4.211 -0.905 1.00 0.00 C ATOM 331 C GLU A 21 91.741 -4.790 0.372 1.00 0.00 C ATOM 332 O GLU A 21 92.788 -5.437 0.349 1.00 0.00 O ATOM 333 CB GLU A 21 90.404 -5.306 -1.665 1.00 0.00 C ATOM 334 CG GLU A 21 90.015 -4.813 -3.066 1.00 0.00 C ATOM 335 CD GLU A 21 88.731 -3.997 -3.003 1.00 0.00 C ATOM 336 OE1 GLU A 21 87.731 -4.535 -2.559 1.00 0.00 O ATOM 337 OE2 GLU A 21 88.767 -2.844 -3.400 1.00 0.00 O ATOM 0 H GLU A 21 93.038 -4.331 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 21 90.471 -3.403 -0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 21 91.024 -6.199 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.509 -5.588 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 21 90.819 -4.206 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 21 89.880 -5.664 -3.734 1.00 0.00 H new ATOM 344 N ILE A 22 91.069 -4.547 1.488 1.00 0.00 N ATOM 345 CA ILE A 22 91.556 -5.053 2.766 1.00 0.00 C ATOM 346 C ILE A 22 90.529 -5.975 3.406 1.00 0.00 C ATOM 347 O ILE A 22 89.341 -5.693 3.413 1.00 0.00 O ATOM 348 CB ILE A 22 91.868 -3.882 3.697 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.021 -3.037 3.106 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.236 -4.414 5.086 1.00 0.00 C ATOM 351 CD1 ILE A 22 94.301 -3.193 3.937 1.00 0.00 C ATOM 0 H ILE A 22 90.201 -4.013 1.537 1.00 0.00 H new ATOM 0 HA ILE A 22 92.466 -5.627 2.592 1.00 0.00 H new ATOM 0 HB ILE A 22 90.989 -3.244 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 22 93.211 -3.344 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.729 -1.987 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.458 -3.578 5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.400 -4.985 5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.112 -5.058 5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 22 95.095 -2.588 3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 22 94.114 -2.862 4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 22 94.604 -4.240 3.945 1.00 0.00 H new ATOM 363 N LEU A 23 91.017 -7.091 3.935 1.00 0.00 N ATOM 364 CA LEU A 23 90.156 -8.082 4.567 1.00 0.00 C ATOM 365 C LEU A 23 90.628 -8.394 5.976 1.00 0.00 C ATOM 366 O LEU A 23 91.765 -8.811 6.192 1.00 0.00 O ATOM 367 CB LEU A 23 90.163 -9.376 3.741 1.00 0.00 C ATOM 368 CG LEU A 23 90.547 -9.048 2.297 1.00 0.00 C ATOM 369 CD1 LEU A 23 92.074 -8.953 2.171 1.00 0.00 C ATOM 370 CD2 LEU A 23 90.020 -10.145 1.365 1.00 0.00 C ATOM 0 H LEU A 23 92.008 -7.332 3.938 1.00 0.00 H new ATOM 0 HA LEU A 23 89.147 -7.672 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 23 90.870 -10.089 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.180 -9.846 3.771 1.00 0.00 H new ATOM 0 HG LEU A 23 90.106 -8.091 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.340 -8.719 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.445 -8.167 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.522 -9.905 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 23 90.294 -9.911 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.456 -11.103 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.935 -10.202 1.448 1.00 0.00 H new ATOM 382 N GLN A 24 89.727 -8.206 6.923 1.00 0.00 N ATOM 383 CA GLN A 24 90.030 -8.489 8.324 1.00 0.00 C ATOM 384 C GLN A 24 88.940 -9.371 8.916 1.00 0.00 C ATOM 385 O GLN A 24 87.849 -8.894 9.230 1.00 0.00 O ATOM 386 CB GLN A 24 90.123 -7.186 9.124 1.00 0.00 C ATOM 387 CG GLN A 24 90.121 -7.504 10.624 1.00 0.00 C ATOM 388 CD GLN A 24 90.677 -6.324 11.415 1.00 0.00 C ATOM 389 OE1 GLN A 24 89.864 -5.575 12.109 1.00 0.00 O flip ATOM 390 NE2 GLN A 24 91.883 -6.080 11.403 1.00 0.00 N flip ATOM 0 H GLN A 24 88.782 -7.860 6.754 1.00 0.00 H new ATOM 0 HA GLN A 24 90.988 -9.005 8.377 1.00 0.00 H new ATOM 0 HB2 GLN A 24 91.032 -6.647 8.857 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.283 -6.536 8.878 1.00 0.00 H new ATOM 0 HG2 GLN A 24 89.106 -7.727 10.954 1.00 0.00 H new ATOM 0 HG3 GLN A 24 90.721 -8.394 10.815 1.00 0.00 H new ATOM 0 HE21 GLN A 24 92.517 -6.667 10.860 1.00 0.00 H new ATOM 0 HE22 GLN A 24 92.249 -5.291 11.936 1.00 0.00 H new ATOM 399 N GLY A 25 89.227 -10.662 9.048 1.00 0.00 N ATOM 400 CA GLY A 25 88.244 -11.593 9.583 1.00 0.00 C ATOM 401 C GLY A 25 87.253 -11.985 8.494 1.00 0.00 C ATOM 402 O GLY A 25 87.646 -12.408 7.407 1.00 0.00 O ATOM 0 H GLY A 25 90.121 -11.082 8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.744 -12.482 9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.716 -11.136 10.420 1.00 0.00 H new ATOM 406 N GLU A 26 85.970 -11.833 8.788 1.00 0.00 N ATOM 407 CA GLU A 26 84.926 -12.165 7.825 1.00 0.00 C ATOM 408 C GLU A 26 84.414 -10.899 7.147 1.00 0.00 C ATOM 409 O GLU A 26 83.380 -10.915 6.479 1.00 0.00 O ATOM 410 CB GLU A 26 83.767 -12.860 8.546 1.00 0.00 C ATOM 411 CG GLU A 26 83.208 -11.941 9.646 1.00 0.00 C ATOM 412 CD GLU A 26 83.321 -12.616 11.012 1.00 0.00 C ATOM 413 OE1 GLU A 26 84.389 -13.122 11.314 1.00 0.00 O ATOM 414 OE2 GLU A 26 82.337 -12.616 11.734 1.00 0.00 O ATOM 0 H GLU A 26 85.626 -11.483 9.682 1.00 0.00 H new ATOM 0 HA GLU A 26 85.341 -12.831 7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 26 82.981 -13.109 7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.109 -13.798 8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 26 83.754 -10.998 9.653 1.00 0.00 H new ATOM 0 HG3 GLU A 26 82.165 -11.704 9.436 1.00 0.00 H new ATOM 421 N ARG A 27 85.129 -9.795 7.352 1.00 0.00 N ATOM 422 CA ARG A 27 84.726 -8.512 6.789 1.00 0.00 C ATOM 423 C ARG A 27 85.699 -8.011 5.730 1.00 0.00 C ATOM 424 O ARG A 27 86.915 -8.035 5.924 1.00 0.00 O ATOM 425 CB ARG A 27 84.656 -7.489 7.915 1.00 0.00 C ATOM 426 CG ARG A 27 83.371 -7.711 8.723 1.00 0.00 C ATOM 427 CD ARG A 27 83.603 -7.288 10.169 1.00 0.00 C ATOM 428 NE ARG A 27 82.325 -7.082 10.846 1.00 0.00 N ATOM 429 CZ ARG A 27 82.188 -7.293 12.153 1.00 0.00 C ATOM 430 NH1 ARG A 27 83.207 -7.693 12.864 1.00 0.00 N ATOM 431 NH2 ARG A 27 81.031 -7.100 12.725 1.00 0.00 N ATOM 0 H ARG A 27 85.987 -9.765 7.902 1.00 0.00 H new ATOM 0 HA ARG A 27 83.757 -8.647 6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.527 -7.584 8.563 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.672 -6.479 7.506 1.00 0.00 H new ATOM 0 HG2 ARG A 27 82.553 -7.135 8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.079 -8.760 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.180 -8.051 10.691 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.190 -6.370 10.197 1.00 0.00 H new ATOM 0 HE ARG A 27 81.519 -6.769 10.305 1.00 0.00 H new ATOM 0 HH11 ARG A 27 84.112 -7.845 12.418 1.00 0.00 H new ATOM 0 HH12 ARG A 27 83.098 -7.854 13.865 1.00 0.00 H new ATOM 0 HH21 ARG A 27 80.234 -6.788 12.171 1.00 0.00 H new ATOM 0 HH22 ARG A 27 80.924 -7.261 13.726 1.00 0.00 H new ATOM 445 N ARG A 28 85.153 -7.555 4.611 1.00 0.00 N ATOM 446 CA ARG A 28 85.970 -7.039 3.512 1.00 0.00 C ATOM 447 C ARG A 28 85.486 -5.664 3.087 1.00 0.00 C ATOM 448 O ARG A 28 84.302 -5.342 3.194 1.00 0.00 O ATOM 449 CB ARG A 28 85.901 -7.999 2.318 1.00 0.00 C ATOM 450 CG ARG A 28 86.973 -7.633 1.281 1.00 0.00 C ATOM 451 CD ARG A 28 86.522 -8.090 -0.110 1.00 0.00 C ATOM 452 NE ARG A 28 87.635 -8.026 -1.054 1.00 0.00 N ATOM 453 CZ ARG A 28 87.592 -8.683 -2.209 1.00 0.00 C ATOM 454 NH1 ARG A 28 86.547 -9.404 -2.511 1.00 0.00 N ATOM 455 NH2 ARG A 28 88.595 -8.609 -3.040 1.00 0.00 N ATOM 0 H ARG A 28 84.148 -7.530 4.437 1.00 0.00 H new ATOM 0 HA ARG A 28 87.001 -6.957 3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.048 -9.024 2.657 1.00 0.00 H new ATOM 0 HB3 ARG A 28 84.912 -7.953 1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 28 87.143 -6.556 1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.920 -8.106 1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 28 86.139 -9.109 -0.058 1.00 0.00 H new ATOM 0 HD3 ARG A 28 85.704 -7.460 -0.459 1.00 0.00 H new ATOM 0 HE ARG A 28 88.458 -7.469 -0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 28 85.763 -9.463 -1.861 1.00 0.00 H new ATOM 0 HH12 ARG A 28 86.514 -9.908 -3.397 1.00 0.00 H new ATOM 0 HH21 ARG A 28 89.413 -8.047 -2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 28 88.562 -9.113 -3.926 1.00 0.00 H new ATOM 469 N TRP A 29 86.421 -4.854 2.616 1.00 0.00 N ATOM 470 CA TRP A 29 86.119 -3.504 2.184 1.00 0.00 C ATOM 471 C TRP A 29 87.018 -3.102 1.021 1.00 0.00 C ATOM 472 O TRP A 29 88.114 -3.636 0.854 1.00 0.00 O ATOM 473 CB TRP A 29 86.361 -2.543 3.340 1.00 0.00 C ATOM 474 CG TRP A 29 85.545 -2.934 4.525 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.204 -2.813 4.623 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.003 -3.494 5.785 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.807 -3.258 5.873 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.885 -3.690 6.626 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.274 -3.846 6.272 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.024 -4.215 7.911 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.419 -4.377 7.562 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.296 -4.561 8.382 1.00 0.00 C ATOM 0 H TRP A 29 87.403 -5.114 2.524 1.00 0.00 H new ATOM 0 HA TRP A 29 85.078 -3.464 1.864 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.419 -2.542 3.604 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.107 -1.528 3.036 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.549 -2.432 3.854 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.840 -3.266 6.198 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.145 -3.707 5.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.156 -4.354 8.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.400 -4.645 7.926 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.412 -4.969 9.375 1.00 0.00 H new ATOM 493 N GLU A 30 86.546 -2.149 0.228 1.00 0.00 N ATOM 494 CA GLU A 30 87.307 -1.662 -0.913 1.00 0.00 C ATOM 495 C GLU A 30 87.983 -0.344 -0.557 1.00 0.00 C ATOM 496 O GLU A 30 87.360 0.529 0.049 1.00 0.00 O ATOM 497 CB GLU A 30 86.370 -1.446 -2.108 1.00 0.00 C ATOM 498 CG GLU A 30 85.280 -2.526 -2.113 1.00 0.00 C ATOM 499 CD GLU A 30 84.063 -2.048 -1.326 1.00 0.00 C ATOM 500 OE1 GLU A 30 84.192 -1.863 -0.127 1.00 0.00 O ATOM 501 OE2 GLU A 30 83.020 -1.872 -1.934 1.00 0.00 O ATOM 0 H GLU A 30 85.640 -1.698 0.355 1.00 0.00 H new ATOM 0 HA GLU A 30 88.065 -2.400 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 30 85.915 -0.457 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 30 86.937 -1.484 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 30 84.992 -2.757 -3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 30 85.667 -3.446 -1.675 1.00 0.00 H new ATOM 508 N VAL A 31 89.250 -0.194 -0.918 1.00 0.00 N ATOM 509 CA VAL A 31 89.970 1.034 -0.607 1.00 0.00 C ATOM 510 C VAL A 31 90.962 1.379 -1.708 1.00 0.00 C ATOM 511 O VAL A 31 91.409 0.514 -2.460 1.00 0.00 O ATOM 512 CB VAL A 31 90.725 0.878 0.716 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.729 0.839 1.874 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.531 -0.421 0.692 1.00 0.00 C ATOM 0 H VAL A 31 89.795 -0.896 -1.419 1.00 0.00 H new ATOM 0 HA VAL A 31 89.240 1.839 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 31 91.400 1.723 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.269 0.728 2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.155 1.766 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.051 -0.005 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.069 -0.533 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.856 -1.266 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.244 -0.392 -0.132 1.00 0.00 H new ATOM 524 N LEU A 32 91.315 2.653 -1.776 1.00 0.00 N ATOM 525 CA LEU A 32 92.276 3.129 -2.760 1.00 0.00 C ATOM 526 C LEU A 32 93.649 3.203 -2.108 1.00 0.00 C ATOM 527 O LEU A 32 93.797 3.752 -1.016 1.00 0.00 O ATOM 528 CB LEU A 32 91.860 4.506 -3.308 1.00 0.00 C ATOM 529 CG LEU A 32 91.831 5.563 -2.194 1.00 0.00 C ATOM 530 CD1 LEU A 32 91.526 6.927 -2.818 1.00 0.00 C ATOM 531 CD2 LEU A 32 90.745 5.225 -1.160 1.00 0.00 C ATOM 0 H LEU A 32 90.949 3.379 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 32 92.308 2.437 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 32 92.556 4.815 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 90.875 4.434 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 32 92.798 5.581 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 32 91.502 7.687 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 32 92.300 7.176 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 32 90.558 6.890 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 32 90.738 5.984 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 32 89.772 5.200 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 32 90.954 4.251 -0.718 1.00 0.00 H new ATOM 543 N LEU A 33 94.651 2.637 -2.765 1.00 0.00 N ATOM 544 CA LEU A 33 95.997 2.650 -2.212 1.00 0.00 C ATOM 545 C LEU A 33 96.753 3.865 -2.720 1.00 0.00 C ATOM 546 O LEU A 33 96.848 4.101 -3.924 1.00 0.00 O ATOM 547 CB LEU A 33 96.738 1.358 -2.590 1.00 0.00 C ATOM 548 CG LEU A 33 98.246 1.473 -2.277 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.619 0.493 -1.162 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.058 1.136 -3.534 1.00 0.00 C ATOM 0 H LEU A 33 94.561 2.170 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 33 95.935 2.706 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.312 0.517 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.598 1.151 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 33 98.468 2.491 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.684 0.578 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.046 0.727 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.394 -0.524 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.122 1.217 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.830 0.119 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.799 1.832 -4.332 1.00 0.00 H new ATOM 562 N HIS A 34 97.266 4.645 -1.782 1.00 0.00 N ATOM 563 CA HIS A 34 97.991 5.858 -2.121 1.00 0.00 C ATOM 564 C HIS A 34 99.490 5.597 -2.268 1.00 0.00 C ATOM 565 O HIS A 34 100.151 6.272 -3.058 1.00 0.00 O ATOM 566 CB HIS A 34 97.721 6.914 -1.057 1.00 0.00 C ATOM 567 CG HIS A 34 96.331 7.462 -1.233 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.074 8.619 -1.952 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.109 7.020 -0.786 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.745 8.831 -1.916 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.111 7.885 -1.218 1.00 0.00 N ATOM 0 H HIS A 34 97.194 4.460 -0.782 1.00 0.00 H new ATOM 0 HA HIS A 34 97.639 6.219 -3.087 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.829 6.480 -0.063 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.453 7.718 -1.134 1.00 0.00 H new ATOM 0 HD1 HIS A 34 96.765 9.203 -2.422 1.00 0.00 H new ATOM 0 HD2 HIS A 34 94.949 6.134 -0.189 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.252 9.665 -2.393 1.00 0.00 H new ATOM 579 N ASP A 35 100.029 4.606 -1.567 1.00 0.00 N ATOM 580 CA ASP A 35 101.454 4.299 -1.729 1.00 0.00 C ATOM 581 C ASP A 35 101.829 3.026 -0.980 1.00 0.00 C ATOM 582 O ASP A 35 101.102 2.573 -0.096 1.00 0.00 O ATOM 583 CB ASP A 35 102.330 5.471 -1.265 1.00 0.00 C ATOM 584 CG ASP A 35 102.361 5.527 0.259 1.00 0.00 C ATOM 585 OD1 ASP A 35 101.459 6.117 0.829 1.00 0.00 O ATOM 586 OD2 ASP A 35 103.286 4.978 0.833 1.00 0.00 O ATOM 0 H ASP A 35 99.527 4.017 -0.903 1.00 0.00 H new ATOM 0 HA ASP A 35 101.636 4.137 -2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.342 5.356 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 35 101.940 6.408 -1.664 1.00 0.00 H new ATOM 591 N VAL A 36 102.964 2.443 -1.362 1.00 0.00 N ATOM 592 CA VAL A 36 103.425 1.205 -0.742 1.00 0.00 C ATOM 593 C VAL A 36 104.946 1.165 -0.653 1.00 0.00 C ATOM 594 O VAL A 36 105.641 1.975 -1.268 1.00 0.00 O ATOM 595 CB VAL A 36 102.919 0.002 -1.553 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.767 -0.162 -2.817 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.019 -1.276 -0.716 1.00 0.00 C ATOM 0 H VAL A 36 103.576 2.806 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 36 103.025 1.161 0.271 1.00 0.00 H new ATOM 0 HB VAL A 36 101.878 0.176 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.405 -1.016 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.693 0.740 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.808 -0.327 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.658 -2.123 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.058 -1.446 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.412 -1.170 0.183 1.00 0.00 H new ATOM 607 N SER A 37 105.451 0.190 0.094 1.00 0.00 N ATOM 608 CA SER A 37 106.884 -0.009 0.254 1.00 0.00 C ATOM 609 C SER A 37 107.148 -1.509 0.282 1.00 0.00 C ATOM 610 O SER A 37 106.207 -2.299 0.364 1.00 0.00 O ATOM 611 CB SER A 37 107.373 0.630 1.553 1.00 0.00 C ATOM 612 OG SER A 37 108.787 0.510 1.631 1.00 0.00 O ATOM 0 H SER A 37 104.879 -0.483 0.604 1.00 0.00 H new ATOM 0 HA SER A 37 107.419 0.459 -0.572 1.00 0.00 H new ATOM 0 HB2 SER A 37 107.083 1.680 1.587 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.907 0.143 2.410 1.00 0.00 H new ATOM 0 HG SER A 37 109.105 0.920 2.462 1.00 0.00 H new ATOM 618 N LEU A 38 108.407 -1.913 0.209 1.00 0.00 N ATOM 619 CA LEU A 38 108.712 -3.338 0.220 1.00 0.00 C ATOM 620 C LEU A 38 108.352 -3.961 1.568 1.00 0.00 C ATOM 621 O LEU A 38 108.524 -5.163 1.766 1.00 0.00 O ATOM 622 CB LEU A 38 110.196 -3.573 -0.081 1.00 0.00 C ATOM 623 CG LEU A 38 110.504 -3.194 -1.540 1.00 0.00 C ATOM 624 CD1 LEU A 38 111.817 -2.408 -1.602 1.00 0.00 C ATOM 625 CD2 LEU A 38 110.638 -4.464 -2.386 1.00 0.00 C ATOM 0 H LEU A 38 109.216 -1.295 0.143 1.00 0.00 H new ATOM 0 HA LEU A 38 108.113 -3.815 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.811 -2.979 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.450 -4.619 0.093 1.00 0.00 H new ATOM 0 HG LEU A 38 109.691 -2.580 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 38 112.033 -2.141 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 38 111.727 -1.501 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 38 112.627 -3.022 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 38 110.856 -4.192 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 38 111.448 -5.079 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 38 109.705 -5.026 -2.348 1.00 0.00 H new ATOM 637 N HIS A 39 107.853 -3.143 2.494 1.00 0.00 N ATOM 638 CA HIS A 39 107.482 -3.649 3.813 1.00 0.00 C ATOM 639 C HIS A 39 106.503 -2.708 4.519 1.00 0.00 C ATOM 640 O HIS A 39 106.606 -2.487 5.725 1.00 0.00 O ATOM 641 CB HIS A 39 108.735 -3.817 4.675 1.00 0.00 C ATOM 642 CG HIS A 39 108.399 -4.624 5.900 1.00 0.00 C ATOM 643 ND1 HIS A 39 108.423 -6.010 5.900 1.00 0.00 N ATOM 644 CD2 HIS A 39 108.029 -4.256 7.170 1.00 0.00 C ATOM 645 CE1 HIS A 39 108.076 -6.422 7.133 1.00 0.00 C ATOM 646 NE2 HIS A 39 107.825 -5.393 7.947 1.00 0.00 N ATOM 0 H HIS A 39 107.699 -2.144 2.359 1.00 0.00 H new ATOM 0 HA HIS A 39 106.992 -4.613 3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 39 109.518 -4.314 4.103 1.00 0.00 H new ATOM 0 HB3 HIS A 39 109.123 -2.841 4.965 1.00 0.00 H new ATOM 0 HD2 HIS A 39 107.914 -3.239 7.514 1.00 0.00 H new ATOM 0 HE1 HIS A 39 108.009 -7.459 7.429 1.00 0.00 H new ATOM 0 HE2 HIS A 39 107.544 -5.432 8.927 1.00 0.00 H new ATOM 654 N GLY A 40 105.550 -2.161 3.769 1.00 0.00 N ATOM 655 CA GLY A 40 104.566 -1.253 4.353 1.00 0.00 C ATOM 656 C GLY A 40 103.580 -0.763 3.298 1.00 0.00 C ATOM 657 O GLY A 40 103.872 -0.802 2.106 1.00 0.00 O ATOM 0 H GLY A 40 105.438 -2.327 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.026 -1.761 5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.075 -0.401 4.804 1.00 0.00 H new ATOM 661 N ILE A 41 102.401 -0.323 3.740 1.00 0.00 N ATOM 662 CA ILE A 41 101.367 0.147 2.816 1.00 0.00 C ATOM 663 C ILE A 41 100.510 1.249 3.442 1.00 0.00 C ATOM 664 O ILE A 41 100.271 1.267 4.648 1.00 0.00 O ATOM 665 CB ILE A 41 100.477 -1.040 2.389 1.00 0.00 C ATOM 666 CG1 ILE A 41 98.989 -0.658 2.452 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.729 -2.230 3.314 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.152 -1.767 1.815 1.00 0.00 C ATOM 0 H ILE A 41 102.139 -0.282 4.725 1.00 0.00 H new ATOM 0 HA ILE A 41 101.860 0.570 1.941 1.00 0.00 H new ATOM 0 HB ILE A 41 100.729 -1.305 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.685 -0.507 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.822 0.284 1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.100 -3.066 3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.777 -2.523 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.490 -1.950 4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.097 -1.497 1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.450 -1.896 0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.311 -2.700 2.356 1.00 0.00 H new ATOM 680 N LEU A 42 100.032 2.150 2.581 1.00 0.00 N ATOM 681 CA LEU A 42 99.171 3.256 2.998 1.00 0.00 C ATOM 682 C LEU A 42 97.855 3.170 2.230 1.00 0.00 C ATOM 683 O LEU A 42 97.852 2.897 1.029 1.00 0.00 O ATOM 684 CB LEU A 42 99.857 4.598 2.692 1.00 0.00 C ATOM 685 CG LEU A 42 99.595 5.609 3.818 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.549 6.800 3.678 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.155 6.116 3.737 1.00 0.00 C ATOM 0 H LEU A 42 100.230 2.133 1.581 1.00 0.00 H new ATOM 0 HA LEU A 42 98.984 3.191 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.930 4.446 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.487 4.995 1.747 1.00 0.00 H new ATOM 0 HG LEU A 42 99.758 5.117 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.359 7.514 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.579 6.450 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.388 7.284 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 42 97.976 6.833 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 42 97.994 6.601 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.467 5.277 3.841 1.00 0.00 H new ATOM 699 N VAL A 43 96.741 3.389 2.914 1.00 0.00 N ATOM 700 CA VAL A 43 95.440 3.313 2.253 1.00 0.00 C ATOM 701 C VAL A 43 94.485 4.383 2.772 1.00 0.00 C ATOM 702 O VAL A 43 94.786 5.097 3.728 1.00 0.00 O ATOM 703 CB VAL A 43 94.823 1.929 2.471 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.749 0.856 1.897 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.633 1.687 3.969 1.00 0.00 C ATOM 0 H VAL A 43 96.707 3.617 3.908 1.00 0.00 H new ATOM 0 HA VAL A 43 95.598 3.484 1.188 1.00 0.00 H new ATOM 0 HB VAL A 43 93.858 1.881 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.307 -0.128 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.885 1.026 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.716 0.904 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.194 0.702 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.599 1.737 4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.971 2.449 4.380 1.00 0.00 H new ATOM 715 N GLY A 44 93.316 4.457 2.143 1.00 0.00 N ATOM 716 CA GLY A 44 92.280 5.413 2.551 1.00 0.00 C ATOM 717 C GLY A 44 91.279 4.718 3.473 1.00 0.00 C ATOM 718 O GLY A 44 91.019 3.527 3.309 1.00 0.00 O ATOM 0 H GLY A 44 93.058 3.870 1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.734 6.261 3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.769 5.808 1.673 1.00 0.00 H new ATOM 722 N GLN A 45 90.735 5.437 4.461 1.00 0.00 N ATOM 723 CA GLN A 45 89.794 4.826 5.401 1.00 0.00 C ATOM 724 C GLN A 45 88.357 4.873 4.879 1.00 0.00 C ATOM 725 O GLN A 45 87.792 5.958 4.742 1.00 0.00 O ATOM 726 CB GLN A 45 89.845 5.598 6.724 1.00 0.00 C ATOM 727 CG GLN A 45 89.011 4.872 7.793 1.00 0.00 C ATOM 728 CD GLN A 45 87.625 5.502 7.905 1.00 0.00 C ATOM 729 OE1 GLN A 45 87.164 6.162 6.975 1.00 0.00 O ATOM 730 NE2 GLN A 45 86.931 5.335 8.997 1.00 0.00 N ATOM 0 H GLN A 45 90.926 6.425 4.628 1.00 0.00 H new ATOM 0 HA GLN A 45 90.082 3.783 5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 45 90.878 5.692 7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 45 89.464 6.609 6.579 1.00 0.00 H new ATOM 0 HG2 GLN A 45 88.918 3.817 7.536 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.519 4.922 8.756 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.315 4.787 9.767 1.00 0.00 H new ATOM 0 HE22 GLN A 45 86.004 5.752 9.081 1.00 0.00 H new ATOM 739 N PRO A 46 87.739 3.754 4.605 1.00 0.00 N ATOM 740 CA PRO A 46 86.336 3.741 4.123 1.00 0.00 C ATOM 741 C PRO A 46 85.347 3.788 5.293 1.00 0.00 C ATOM 742 O PRO A 46 85.709 3.502 6.433 1.00 0.00 O ATOM 743 CB PRO A 46 86.254 2.429 3.353 1.00 0.00 C ATOM 744 CG PRO A 46 87.190 1.512 4.085 1.00 0.00 C ATOM 745 CD PRO A 46 88.288 2.398 4.702 1.00 0.00 C ATOM 0 HA PRO A 46 86.077 4.605 3.511 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.237 2.036 3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.555 2.558 2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.661 0.957 4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.622 0.778 3.405 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.491 2.122 5.737 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.228 2.307 4.158 1.00 0.00 H new ATOM 753 N GLN A 47 84.110 4.178 5.006 1.00 0.00 N ATOM 754 CA GLN A 47 83.083 4.291 6.042 1.00 0.00 C ATOM 755 C GLN A 47 82.725 2.936 6.660 1.00 0.00 C ATOM 756 O GLN A 47 82.507 2.838 7.867 1.00 0.00 O ATOM 757 CB GLN A 47 81.824 4.921 5.442 1.00 0.00 C ATOM 758 CG GLN A 47 82.056 6.417 5.218 1.00 0.00 C ATOM 759 CD GLN A 47 83.309 6.633 4.376 1.00 0.00 C ATOM 760 OE1 GLN A 47 83.398 6.077 3.198 1.00 0.00 O flip ATOM 761 NE2 GLN A 47 84.233 7.326 4.802 1.00 0.00 N flip ATOM 0 H GLN A 47 83.792 4.421 4.068 1.00 0.00 H new ATOM 0 HA GLN A 47 83.487 4.918 6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 47 81.577 4.436 4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 47 80.976 4.770 6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 47 81.193 6.856 4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 47 82.161 6.924 6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 47 84.163 7.760 5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 47 85.069 7.466 4.235 1.00 0.00 H new ATOM 770 N ASP A 48 82.637 1.904 5.829 1.00 0.00 N ATOM 771 CA ASP A 48 82.271 0.571 6.311 1.00 0.00 C ATOM 772 C ASP A 48 83.409 -0.084 7.096 1.00 0.00 C ATOM 773 O ASP A 48 83.335 -1.264 7.435 1.00 0.00 O ATOM 774 CB ASP A 48 81.893 -0.318 5.127 1.00 0.00 C ATOM 775 CG ASP A 48 81.460 -1.693 5.624 1.00 0.00 C ATOM 776 OD1 ASP A 48 81.137 -1.803 6.795 1.00 0.00 O ATOM 777 OD2 ASP A 48 81.454 -2.616 4.827 1.00 0.00 O ATOM 0 H ASP A 48 82.812 1.960 4.826 1.00 0.00 H new ATOM 0 HA ASP A 48 81.421 0.684 6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 48 81.085 0.143 4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.742 -0.417 4.451 1.00 0.00 H new ATOM 782 N TRP A 49 84.458 0.680 7.373 1.00 0.00 N ATOM 783 CA TRP A 49 85.607 0.153 8.111 1.00 0.00 C ATOM 784 C TRP A 49 85.208 -0.361 9.489 1.00 0.00 C ATOM 785 O TRP A 49 85.572 0.227 10.504 1.00 0.00 O ATOM 786 CB TRP A 49 86.652 1.247 8.281 1.00 0.00 C ATOM 787 CG TRP A 49 87.910 0.673 8.855 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.221 0.642 10.168 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.012 0.059 8.152 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.472 0.055 10.321 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.009 -0.311 9.092 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.239 -0.198 6.792 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.200 -0.919 8.669 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.424 -0.806 6.373 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.401 -1.159 7.305 1.00 0.00 C ATOM 0 H TRP A 49 84.541 1.660 7.102 1.00 0.00 H new ATOM 0 HA TRP A 49 86.012 -0.680 7.536 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.862 1.713 7.318 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.268 2.029 8.936 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.599 1.013 10.969 1.00 0.00 H new ATOM 0 HE1 TRP A 49 89.935 -0.088 11.218 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.491 0.077 6.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 91.955 -1.199 9.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.585 -1.004 5.324 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.319 -1.621 6.971 1.00 0.00 H new ATOM 806 N ASN A 50 84.474 -1.464 9.529 1.00 0.00 N ATOM 807 CA ASN A 50 84.068 -2.038 10.812 1.00 0.00 C ATOM 808 C ASN A 50 85.078 -3.096 11.255 1.00 0.00 C ATOM 809 O ASN A 50 84.845 -4.294 11.095 1.00 0.00 O ATOM 810 CB ASN A 50 82.667 -2.647 10.712 1.00 0.00 C ATOM 811 CG ASN A 50 82.257 -3.237 12.057 1.00 0.00 C ATOM 812 OD1 ASN A 50 81.330 -2.739 12.697 1.00 0.00 O ATOM 813 ND2 ASN A 50 82.895 -4.274 12.526 1.00 0.00 N ATOM 0 H ASN A 50 84.151 -1.974 8.707 1.00 0.00 H new ATOM 0 HA ASN A 50 84.041 -1.242 11.556 1.00 0.00 H new ATOM 0 HB2 ASN A 50 81.951 -1.884 10.407 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.652 -3.422 9.946 1.00 0.00 H new ATOM 0 HD21 ASN A 50 82.626 -4.674 13.425 1.00 0.00 H new ATOM 0 HD22 ASN A 50 83.662 -4.684 11.994 1.00 0.00 H new ATOM 820 N GLY A 51 86.208 -2.643 11.803 1.00 0.00 N ATOM 821 CA GLY A 51 87.254 -3.560 12.254 1.00 0.00 C ATOM 822 C GLY A 51 87.920 -3.060 13.533 1.00 0.00 C ATOM 823 O GLY A 51 87.825 -1.883 13.876 1.00 0.00 O ATOM 0 H GLY A 51 86.420 -1.655 11.944 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.825 -4.547 12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 51 88.004 -3.672 11.471 1.00 0.00 H new ATOM 827 N ASP A 52 88.593 -3.971 14.235 1.00 0.00 N ATOM 828 CA ASP A 52 89.278 -3.628 15.480 1.00 0.00 C ATOM 829 C ASP A 52 90.758 -3.323 15.213 1.00 0.00 C ATOM 830 O ASP A 52 91.531 -4.225 14.891 1.00 0.00 O ATOM 831 CB ASP A 52 89.168 -4.792 16.469 1.00 0.00 C ATOM 832 CG ASP A 52 89.534 -4.321 17.873 1.00 0.00 C ATOM 833 OD1 ASP A 52 88.920 -3.374 18.338 1.00 0.00 O ATOM 834 OD2 ASP A 52 90.422 -4.914 18.464 1.00 0.00 O ATOM 0 H ASP A 52 88.678 -4.950 13.963 1.00 0.00 H new ATOM 0 HA ASP A 52 88.806 -2.741 15.903 1.00 0.00 H new ATOM 0 HB2 ASP A 52 88.153 -5.190 16.463 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.830 -5.602 16.164 1.00 0.00 H new ATOM 839 N PRO A 53 91.164 -2.079 15.336 1.00 0.00 N ATOM 840 CA PRO A 53 92.583 -1.663 15.096 1.00 0.00 C ATOM 841 C PRO A 53 93.589 -2.582 15.771 1.00 0.00 C ATOM 842 O PRO A 53 94.753 -2.639 15.374 1.00 0.00 O ATOM 843 CB PRO A 53 92.646 -0.255 15.692 1.00 0.00 C ATOM 844 CG PRO A 53 91.258 0.277 15.574 1.00 0.00 C ATOM 845 CD PRO A 53 90.324 -0.925 15.716 1.00 0.00 C ATOM 0 HA PRO A 53 92.843 -1.704 14.038 1.00 0.00 H new ATOM 0 HB2 PRO A 53 92.972 -0.281 16.732 1.00 0.00 H new ATOM 0 HB3 PRO A 53 93.356 0.371 15.151 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.059 1.018 16.348 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.112 0.772 14.614 1.00 0.00 H new ATOM 0 HD2 PRO A 53 89.951 -1.022 16.736 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.454 -0.833 15.065 1.00 0.00 H new ATOM 853 N GLN A 54 93.147 -3.280 16.806 1.00 0.00 N ATOM 854 CA GLN A 54 94.043 -4.164 17.532 1.00 0.00 C ATOM 855 C GLN A 54 94.234 -5.494 16.805 1.00 0.00 C ATOM 856 O GLN A 54 95.248 -6.165 16.996 1.00 0.00 O ATOM 857 CB GLN A 54 93.498 -4.420 18.939 1.00 0.00 C ATOM 858 CG GLN A 54 92.917 -3.122 19.506 1.00 0.00 C ATOM 859 CD GLN A 54 93.961 -2.012 19.446 1.00 0.00 C ATOM 860 OE1 GLN A 54 94.302 -1.538 18.362 1.00 0.00 O ATOM 861 NE2 GLN A 54 94.490 -1.565 20.552 1.00 0.00 N ATOM 0 H GLN A 54 92.190 -3.253 17.157 1.00 0.00 H new ATOM 0 HA GLN A 54 95.014 -3.672 17.596 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.729 -5.192 18.908 1.00 0.00 H new ATOM 0 HB3 GLN A 54 94.293 -4.788 19.587 1.00 0.00 H new ATOM 0 HG2 GLN A 54 92.033 -2.832 18.939 1.00 0.00 H new ATOM 0 HG3 GLN A 54 92.598 -3.277 20.537 1.00 0.00 H new ATOM 0 HE21 GLN A 54 94.206 -1.959 21.449 1.00 0.00 H new ATOM 0 HE22 GLN A 54 95.187 -0.821 20.520 1.00 0.00 H new ATOM 870 N ARG A 55 93.268 -5.874 15.973 1.00 0.00 N ATOM 871 CA ARG A 55 93.369 -7.134 15.236 1.00 0.00 C ATOM 872 C ARG A 55 94.016 -6.902 13.869 1.00 0.00 C ATOM 873 O ARG A 55 93.881 -5.830 13.285 1.00 0.00 O ATOM 874 CB ARG A 55 91.981 -7.758 15.068 1.00 0.00 C ATOM 875 CG ARG A 55 91.551 -8.408 16.387 1.00 0.00 C ATOM 876 CD ARG A 55 90.105 -8.898 16.275 1.00 0.00 C ATOM 877 NE ARG A 55 89.545 -9.128 17.602 1.00 0.00 N ATOM 878 CZ ARG A 55 88.232 -9.239 17.784 1.00 0.00 C ATOM 879 NH1 ARG A 55 87.423 -9.147 16.764 1.00 0.00 N ATOM 880 NH2 ARG A 55 87.753 -9.441 18.981 1.00 0.00 N ATOM 0 H ARG A 55 92.419 -5.339 15.793 1.00 0.00 H new ATOM 0 HA ARG A 55 93.997 -7.821 15.803 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.260 -6.995 14.774 1.00 0.00 H new ATOM 0 HB3 ARG A 55 91.999 -8.502 14.272 1.00 0.00 H new ATOM 0 HG2 ARG A 55 92.210 -9.243 16.624 1.00 0.00 H new ATOM 0 HG3 ARG A 55 91.640 -7.691 17.203 1.00 0.00 H new ATOM 0 HD2 ARG A 55 89.504 -8.161 15.742 1.00 0.00 H new ATOM 0 HD3 ARG A 55 90.070 -9.819 15.693 1.00 0.00 H new ATOM 0 HE ARG A 55 90.171 -9.205 18.404 1.00 0.00 H new ATOM 0 HH11 ARG A 55 87.798 -8.990 15.828 1.00 0.00 H new ATOM 0 HH12 ARG A 55 86.416 -9.232 16.902 1.00 0.00 H new ATOM 0 HH21 ARG A 55 88.386 -9.514 19.778 1.00 0.00 H new ATOM 0 HH22 ARG A 55 86.746 -9.526 19.120 1.00 0.00 H new ATOM 894 N PRO A 56 94.732 -7.880 13.367 1.00 0.00 N ATOM 895 CA PRO A 56 95.443 -7.781 12.053 1.00 0.00 C ATOM 896 C PRO A 56 94.501 -7.596 10.865 1.00 0.00 C ATOM 897 O PRO A 56 93.308 -7.889 10.941 1.00 0.00 O ATOM 898 CB PRO A 56 96.221 -9.099 11.945 1.00 0.00 C ATOM 899 CG PRO A 56 95.531 -10.045 12.871 1.00 0.00 C ATOM 900 CD PRO A 56 94.945 -9.194 13.996 1.00 0.00 C ATOM 0 HA PRO A 56 96.084 -6.900 12.021 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.215 -9.476 10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.265 -8.963 12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.747 -10.595 12.351 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.230 -10.782 13.265 1.00 0.00 H new ATOM 0 HD2 PRO A 56 94.012 -9.614 14.371 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.627 -9.126 14.843 1.00 0.00 H new ATOM 908 N PHE A 57 95.073 -7.113 9.764 1.00 0.00 N ATOM 909 CA PHE A 57 94.329 -6.884 8.531 1.00 0.00 C ATOM 910 C PHE A 57 95.094 -7.505 7.360 1.00 0.00 C ATOM 911 O PHE A 57 96.311 -7.671 7.444 1.00 0.00 O ATOM 912 CB PHE A 57 94.201 -5.373 8.286 1.00 0.00 C ATOM 913 CG PHE A 57 93.494 -4.708 9.448 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.184 -4.458 10.641 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.149 -4.332 9.330 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.529 -3.836 11.713 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.495 -3.712 10.401 1.00 0.00 C ATOM 918 CZ PHE A 57 92.184 -3.464 11.592 1.00 0.00 C ATOM 0 H PHE A 57 96.062 -6.871 9.703 1.00 0.00 H new ATOM 0 HA PHE A 57 93.340 -7.333 8.615 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.190 -4.934 8.155 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.648 -5.193 7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.221 -4.745 10.735 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.616 -4.521 8.410 1.00 0.00 H new ATOM 0 HE1 PHE A 57 94.062 -3.644 12.633 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.458 -3.425 10.307 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.679 -2.986 12.418 1.00 0.00 H new ATOM 928 N GLU A 58 94.408 -7.816 6.260 1.00 0.00 N ATOM 929 CA GLU A 58 95.093 -8.379 5.089 1.00 0.00 C ATOM 930 C GLU A 58 94.838 -7.478 3.888 1.00 0.00 C ATOM 931 O GLU A 58 93.733 -6.977 3.722 1.00 0.00 O ATOM 932 CB GLU A 58 94.597 -9.802 4.802 1.00 0.00 C ATOM 933 CG GLU A 58 95.369 -10.803 5.666 1.00 0.00 C ATOM 934 CD GLU A 58 94.857 -12.216 5.407 1.00 0.00 C ATOM 935 OE1 GLU A 58 93.752 -12.341 4.905 1.00 0.00 O ATOM 936 OE2 GLU A 58 95.577 -13.152 5.714 1.00 0.00 O ATOM 0 H GLU A 58 93.401 -7.693 6.152 1.00 0.00 H new ATOM 0 HA GLU A 58 96.163 -8.432 5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.530 -9.874 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 58 94.732 -10.038 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 58 96.434 -10.746 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 58 95.252 -10.552 6.720 1.00 0.00 H new ATOM 943 N ALA A 59 95.858 -7.235 3.072 1.00 0.00 N ATOM 944 CA ALA A 59 95.705 -6.349 1.922 1.00 0.00 C ATOM 945 C ALA A 59 95.969 -7.061 0.606 1.00 0.00 C ATOM 946 O ALA A 59 96.945 -7.799 0.467 1.00 0.00 O ATOM 947 CB ALA A 59 96.707 -5.201 2.040 1.00 0.00 C ATOM 0 H ALA A 59 96.790 -7.634 3.183 1.00 0.00 H new ATOM 0 HA ALA A 59 94.675 -5.991 1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.599 -4.534 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.518 -4.646 2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.720 -5.603 2.061 1.00 0.00 H new ATOM 953 N ARG A 60 95.118 -6.786 -0.374 1.00 0.00 N ATOM 954 CA ARG A 60 95.286 -7.351 -1.705 1.00 0.00 C ATOM 955 C ARG A 60 95.368 -6.207 -2.705 1.00 0.00 C ATOM 956 O ARG A 60 94.509 -5.325 -2.710 1.00 0.00 O ATOM 957 CB ARG A 60 94.093 -8.248 -2.054 1.00 0.00 C ATOM 958 CG ARG A 60 93.933 -9.343 -0.987 1.00 0.00 C ATOM 959 CD ARG A 60 93.713 -10.700 -1.663 1.00 0.00 C ATOM 960 NE ARG A 60 92.594 -10.623 -2.595 1.00 0.00 N ATOM 961 CZ ARG A 60 92.148 -11.705 -3.223 1.00 0.00 C ATOM 962 NH1 ARG A 60 92.714 -12.861 -3.012 1.00 0.00 N ATOM 963 NH2 ARG A 60 91.143 -11.610 -4.051 1.00 0.00 N ATOM 0 H ARG A 60 94.306 -6.177 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 60 96.195 -7.952 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.183 -7.651 -2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.242 -8.702 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 60 94.821 -9.381 -0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 60 93.090 -9.109 -0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 60 94.617 -11.001 -2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 60 93.516 -11.462 -0.909 1.00 0.00 H new ATOM 0 HE ARG A 60 92.146 -9.723 -2.768 1.00 0.00 H new ATOM 0 HH11 ARG A 60 93.499 -12.934 -2.365 1.00 0.00 H new ATOM 0 HH12 ARG A 60 92.372 -13.692 -3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 60 90.701 -10.705 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 60 90.800 -12.440 -4.534 1.00 0.00 H new ATOM 977 N LEU A 61 96.403 -6.201 -3.536 1.00 0.00 N ATOM 978 CA LEU A 61 96.569 -5.126 -4.510 1.00 0.00 C ATOM 979 C LEU A 61 96.324 -5.636 -5.922 1.00 0.00 C ATOM 980 O LEU A 61 96.668 -6.771 -6.251 1.00 0.00 O ATOM 981 CB LEU A 61 97.985 -4.540 -4.411 1.00 0.00 C ATOM 982 CG LEU A 61 98.565 -4.801 -3.017 1.00 0.00 C ATOM 983 CD1 LEU A 61 99.978 -4.217 -2.944 1.00 0.00 C ATOM 984 CD2 LEU A 61 97.676 -4.144 -1.948 1.00 0.00 C ATOM 0 H LEU A 61 97.130 -6.916 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 61 95.839 -4.348 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.626 -4.988 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 61 97.958 -3.468 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 61 98.602 -5.875 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 61 100.396 -4.399 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 61 100.607 -4.692 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 61 99.938 -3.144 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 61 98.095 -4.334 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 61 97.631 -3.069 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 61 96.671 -4.563 -2.003 1.00 0.00 H new ATOM 996 N TYR A 62 95.728 -4.786 -6.754 1.00 0.00 N ATOM 997 CA TYR A 62 95.443 -5.159 -8.133 1.00 0.00 C ATOM 998 C TYR A 62 96.040 -4.142 -9.101 1.00 0.00 C ATOM 999 O TYR A 62 95.567 -3.004 -9.202 1.00 0.00 O ATOM 1000 CB TYR A 62 93.931 -5.252 -8.354 1.00 0.00 C ATOM 1001 CG TYR A 62 93.305 -6.066 -7.247 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.068 -5.484 -5.995 1.00 0.00 C ATOM 1003 CD2 TYR A 62 92.960 -7.404 -7.473 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.484 -6.242 -4.970 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.378 -8.160 -6.450 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.140 -7.580 -5.199 1.00 0.00 C ATOM 1007 OH TYR A 62 91.565 -8.327 -4.191 1.00 0.00 O ATOM 0 H TYR A 62 95.436 -3.843 -6.499 1.00 0.00 H new ATOM 0 HA TYR A 62 95.896 -6.132 -8.323 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.495 -4.253 -8.376 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.722 -5.712 -9.320 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.335 -4.452 -5.819 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.143 -7.853 -8.438 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.300 -5.794 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 62 92.112 -9.192 -6.626 1.00 0.00 H new ATOM 0 HH TYR A 62 91.251 -7.730 -3.480 1.00 0.00 H new ATOM 1017 N LEU A 63 97.083 -4.572 -9.810 1.00 0.00 N ATOM 1018 CA LEU A 63 97.759 -3.721 -10.785 1.00 0.00 C ATOM 1019 C LEU A 63 97.392 -4.173 -12.197 1.00 0.00 C ATOM 1020 O LEU A 63 96.443 -3.665 -12.795 1.00 0.00 O ATOM 1021 CB LEU A 63 99.283 -3.806 -10.576 1.00 0.00 C ATOM 1022 CG LEU A 63 99.824 -2.447 -10.107 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.246 -2.618 -9.564 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.850 -1.468 -11.287 1.00 0.00 C ATOM 0 H LEU A 63 97.478 -5.508 -9.726 1.00 0.00 H new ATOM 0 HA LEU A 63 97.442 -2.687 -10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.515 -4.574 -9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.770 -4.100 -11.506 1.00 0.00 H new ATOM 0 HG LEU A 63 99.177 -2.057 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 63 101.627 -1.652 -9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.233 -3.312 -8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 63 101.891 -3.012 -10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 63 100.234 -0.505 -10.952 1.00 0.00 H new ATOM 0 HD22 LEU A 63 100.494 -1.862 -12.073 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.840 -1.340 -11.676 1.00 0.00 H new ATOM 1036 N GLY A 64 98.131 -5.153 -12.713 1.00 0.00 N ATOM 1037 CA GLY A 64 97.851 -5.688 -14.040 1.00 0.00 C ATOM 1038 C GLY A 64 96.611 -6.566 -13.973 1.00 0.00 C ATOM 1039 O GLY A 64 96.060 -6.775 -12.892 1.00 0.00 O ATOM 0 H GLY A 64 98.921 -5.588 -12.236 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.697 -4.874 -14.748 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.702 -6.267 -14.399 1.00 0.00 H new ATOM 1043 N LEU A 65 96.158 -7.077 -15.113 1.00 0.00 N ATOM 1044 CA LEU A 65 94.967 -7.918 -15.104 1.00 0.00 C ATOM 1045 C LEU A 65 95.295 -9.281 -14.503 1.00 0.00 C ATOM 1046 O LEU A 65 94.456 -9.900 -13.848 1.00 0.00 O ATOM 1047 CB LEU A 65 94.403 -8.084 -16.521 1.00 0.00 C ATOM 1048 CG LEU A 65 94.653 -6.809 -17.333 1.00 0.00 C ATOM 1049 CD1 LEU A 65 93.982 -6.939 -18.701 1.00 0.00 C ATOM 1050 CD2 LEU A 65 94.068 -5.604 -16.589 1.00 0.00 C ATOM 0 H LEU A 65 96.582 -6.930 -16.029 1.00 0.00 H new ATOM 0 HA LEU A 65 94.208 -7.432 -14.491 1.00 0.00 H new ATOM 0 HB2 LEU A 65 94.873 -8.936 -17.012 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.334 -8.293 -16.475 1.00 0.00 H new ATOM 0 HG LEU A 65 95.726 -6.666 -17.465 1.00 0.00 H new ATOM 0 HD11 LEU A 65 94.159 -6.033 -19.280 1.00 0.00 H new ATOM 0 HD12 LEU A 65 94.399 -7.796 -19.231 1.00 0.00 H new ATOM 0 HD13 LEU A 65 92.910 -7.081 -18.568 1.00 0.00 H new ATOM 0 HD21 LEU A 65 94.246 -4.698 -17.167 1.00 0.00 H new ATOM 0 HD22 LEU A 65 92.995 -5.744 -16.456 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.546 -5.512 -15.614 1.00 0.00 H new ATOM 1062 N ASP A 66 96.523 -9.742 -14.729 1.00 0.00 N ATOM 1063 CA ASP A 66 96.989 -11.027 -14.219 1.00 0.00 C ATOM 1064 C ASP A 66 97.883 -10.835 -12.996 1.00 0.00 C ATOM 1065 O ASP A 66 98.519 -11.783 -12.534 1.00 0.00 O ATOM 1066 CB ASP A 66 97.822 -11.702 -15.310 1.00 0.00 C ATOM 1067 CG ASP A 66 98.127 -13.143 -14.916 1.00 0.00 C ATOM 1068 OD1 ASP A 66 97.550 -13.606 -13.946 1.00 0.00 O ATOM 1069 OD2 ASP A 66 98.933 -13.763 -15.590 1.00 0.00 O ATOM 0 H ASP A 66 97.222 -9.234 -15.271 1.00 0.00 H new ATOM 0 HA ASP A 66 96.125 -11.630 -13.940 1.00 0.00 H new ATOM 0 HB2 ASP A 66 97.282 -11.682 -16.257 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.751 -11.153 -15.461 1.00 0.00 H new ATOM 1074 N VAL A 67 97.949 -9.605 -12.487 1.00 0.00 N ATOM 1075 CA VAL A 67 98.799 -9.315 -11.330 1.00 0.00 C ATOM 1076 C VAL A 67 97.981 -9.118 -10.062 1.00 0.00 C ATOM 1077 O VAL A 67 97.487 -8.025 -9.781 1.00 0.00 O ATOM 1078 CB VAL A 67 99.659 -8.067 -11.597 1.00 0.00 C ATOM 1079 CG1 VAL A 67 100.180 -7.494 -10.271 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.856 -8.451 -12.476 1.00 0.00 C ATOM 0 H VAL A 67 97.433 -8.804 -12.850 1.00 0.00 H new ATOM 0 HA VAL A 67 99.448 -10.177 -11.179 1.00 0.00 H new ATOM 0 HB VAL A 67 99.049 -7.318 -12.102 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.788 -6.611 -10.470 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.337 -7.219 -9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.786 -8.245 -9.763 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.466 -7.568 -12.666 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.456 -9.204 -11.965 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.497 -8.855 -13.423 1.00 0.00 H new ATOM 1090 N LEU A 68 97.877 -10.190 -9.288 1.00 0.00 N ATOM 1091 CA LEU A 68 97.164 -10.156 -8.022 1.00 0.00 C ATOM 1092 C LEU A 68 98.182 -10.351 -6.903 1.00 0.00 C ATOM 1093 O LEU A 68 98.846 -11.386 -6.837 1.00 0.00 O ATOM 1094 CB LEU A 68 96.104 -11.267 -7.995 1.00 0.00 C ATOM 1095 CG LEU A 68 95.746 -11.629 -6.551 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.204 -10.395 -5.829 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.676 -12.723 -6.556 1.00 0.00 C ATOM 0 H LEU A 68 98.281 -11.098 -9.518 1.00 0.00 H new ATOM 0 HA LEU A 68 96.654 -9.202 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.211 -10.939 -8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.479 -12.148 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 68 96.637 -11.986 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 68 94.950 -10.657 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 68 95.962 -9.612 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.312 -10.035 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.418 -12.984 -5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.787 -12.360 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 68 95.060 -13.605 -7.069 1.00 0.00 H new ATOM 1109 N ILE A 69 98.323 -9.348 -6.042 1.00 0.00 N ATOM 1110 CA ILE A 69 99.296 -9.424 -4.952 1.00 0.00 C ATOM 1111 C ILE A 69 98.592 -9.517 -3.599 1.00 0.00 C ATOM 1112 O ILE A 69 97.560 -8.885 -3.379 1.00 0.00 O ATOM 1113 CB ILE A 69 100.218 -8.200 -5.027 1.00 0.00 C ATOM 1114 CG1 ILE A 69 101.078 -8.311 -6.302 1.00 0.00 C ATOM 1115 CG2 ILE A 69 101.127 -8.136 -3.790 1.00 0.00 C ATOM 1116 CD1 ILE A 69 101.267 -6.930 -6.936 1.00 0.00 C ATOM 0 H ILE A 69 97.784 -8.482 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 69 99.897 -10.327 -5.057 1.00 0.00 H new ATOM 0 HB ILE A 69 99.616 -7.292 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 69 102.049 -8.743 -6.058 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.600 -8.984 -7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.775 -7.262 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.514 -8.063 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.738 -9.037 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.876 -7.023 -7.835 1.00 0.00 H new ATOM 0 HD12 ILE A 69 100.294 -6.514 -7.198 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.765 -6.269 -6.227 1.00 0.00 H new ATOM 1128 N ARG A 70 99.169 -10.313 -2.693 1.00 0.00 N ATOM 1129 CA ARG A 70 98.602 -10.490 -1.356 1.00 0.00 C ATOM 1130 C ARG A 70 99.652 -10.251 -0.270 1.00 0.00 C ATOM 1131 O ARG A 70 100.755 -10.815 -0.311 1.00 0.00 O ATOM 1132 CB ARG A 70 98.024 -11.900 -1.218 1.00 0.00 C ATOM 1133 CG ARG A 70 97.060 -11.955 -0.027 1.00 0.00 C ATOM 1134 CD ARG A 70 96.132 -13.161 -0.180 1.00 0.00 C ATOM 1135 NE ARG A 70 96.913 -14.381 -0.345 1.00 0.00 N ATOM 1136 CZ ARG A 70 96.350 -15.579 -0.232 1.00 0.00 C ATOM 1137 NH1 ARG A 70 95.077 -15.679 0.039 1.00 0.00 N ATOM 1138 NH2 ARG A 70 97.070 -16.655 -0.391 1.00 0.00 N ATOM 0 H ARG A 70 100.025 -10.842 -2.862 1.00 0.00 H new ATOM 0 HA ARG A 70 97.808 -9.755 -1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 70 97.502 -12.179 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 70 98.830 -12.621 -1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 70 97.620 -12.029 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 70 96.475 -11.037 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 70 95.489 -13.248 0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 70 95.479 -13.019 -1.041 1.00 0.00 H new ATOM 0 HE ARG A 70 97.910 -14.314 -0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 70 94.515 -14.837 0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 70 94.645 -16.599 0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 70 98.065 -16.576 -0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 70 96.638 -17.575 -0.304 1.00 0.00 H new ATOM 1152 N MET A 71 99.291 -9.428 0.712 1.00 0.00 N ATOM 1153 CA MET A 71 100.185 -9.120 1.825 1.00 0.00 C ATOM 1154 C MET A 71 99.389 -9.085 3.125 1.00 0.00 C ATOM 1155 O MET A 71 98.226 -8.683 3.137 1.00 0.00 O ATOM 1156 CB MET A 71 100.866 -7.754 1.609 1.00 0.00 C ATOM 1157 CG MET A 71 101.028 -7.461 0.111 1.00 0.00 C ATOM 1158 SD MET A 71 102.498 -6.436 -0.164 1.00 0.00 S ATOM 1159 CE MET A 71 102.111 -5.097 0.992 1.00 0.00 C ATOM 0 H MET A 71 98.385 -8.962 0.759 1.00 0.00 H new ATOM 0 HA MET A 71 100.952 -9.893 1.880 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.273 -6.968 2.077 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.842 -7.748 2.094 1.00 0.00 H new ATOM 0 HG2 MET A 71 101.117 -8.395 -0.443 1.00 0.00 H new ATOM 0 HG3 MET A 71 100.142 -6.950 -0.266 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.674 -4.205 0.717 1.00 0.00 H new ATOM 0 HE2 MET A 71 101.044 -4.879 0.952 1.00 0.00 H new ATOM 0 HE3 MET A 71 102.382 -5.400 2.003 1.00 0.00 H new ATOM 1169 N GLU A 72 100.028 -9.476 4.221 1.00 0.00 N ATOM 1170 CA GLU A 72 99.373 -9.447 5.526 1.00 0.00 C ATOM 1171 C GLU A 72 99.931 -8.262 6.291 1.00 0.00 C ATOM 1172 O GLU A 72 101.149 -8.132 6.418 1.00 0.00 O ATOM 1173 CB GLU A 72 99.633 -10.745 6.295 1.00 0.00 C ATOM 1174 CG GLU A 72 98.795 -10.760 7.578 1.00 0.00 C ATOM 1175 CD GLU A 72 99.327 -11.819 8.538 1.00 0.00 C ATOM 1176 OE1 GLU A 72 98.955 -12.970 8.384 1.00 0.00 O ATOM 1177 OE2 GLU A 72 100.101 -11.463 9.412 1.00 0.00 O ATOM 0 H GLU A 72 100.990 -9.814 4.235 1.00 0.00 H new ATOM 0 HA GLU A 72 98.294 -9.352 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.380 -11.604 5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.692 -10.829 6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 72 98.825 -9.779 8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 72 97.752 -10.966 7.338 1.00 0.00 H new ATOM 1184 N ILE A 73 99.069 -7.368 6.756 1.00 0.00 N ATOM 1185 CA ILE A 73 99.561 -6.181 7.443 1.00 0.00 C ATOM 1186 C ILE A 73 98.803 -5.881 8.730 1.00 0.00 C ATOM 1187 O ILE A 73 97.677 -6.338 8.932 1.00 0.00 O ATOM 1188 CB ILE A 73 99.440 -4.990 6.496 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.952 -4.663 6.280 1.00 0.00 C ATOM 1190 CG2 ILE A 73 100.108 -5.340 5.156 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.766 -3.831 5.006 1.00 0.00 C ATOM 0 H ILE A 73 98.055 -7.436 6.674 1.00 0.00 H new ATOM 0 HA ILE A 73 100.598 -6.365 7.723 1.00 0.00 H new ATOM 0 HB ILE A 73 99.936 -4.119 6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.377 -5.586 6.206 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.565 -4.115 7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 73 100.024 -4.493 4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.161 -5.569 5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.613 -6.207 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.708 -3.608 4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 73 98.324 -2.899 5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 73 98.133 -4.393 4.147 1.00 0.00 H new ATOM 1203 N SER A 74 99.437 -5.083 9.584 1.00 0.00 N ATOM 1204 CA SER A 74 98.842 -4.674 10.854 1.00 0.00 C ATOM 1205 C SER A 74 98.747 -3.153 10.904 1.00 0.00 C ATOM 1206 O SER A 74 99.538 -2.455 10.271 1.00 0.00 O ATOM 1207 CB SER A 74 99.692 -5.176 12.022 1.00 0.00 C ATOM 1208 OG SER A 74 99.528 -6.582 12.153 1.00 0.00 O ATOM 0 H SER A 74 100.369 -4.704 9.418 1.00 0.00 H new ATOM 0 HA SER A 74 97.844 -5.105 10.935 1.00 0.00 H new ATOM 0 HB2 SER A 74 100.741 -4.935 11.853 1.00 0.00 H new ATOM 0 HB3 SER A 74 99.395 -4.676 12.944 1.00 0.00 H new ATOM 0 HG SER A 74 100.073 -6.907 12.900 1.00 0.00 H new ATOM 1214 N LEU A 75 97.776 -2.642 11.651 1.00 0.00 N ATOM 1215 CA LEU A 75 97.606 -1.196 11.751 1.00 0.00 C ATOM 1216 C LEU A 75 98.800 -0.580 12.471 1.00 0.00 C ATOM 1217 O LEU A 75 99.108 -0.928 13.612 1.00 0.00 O ATOM 1218 CB LEU A 75 96.301 -0.849 12.473 1.00 0.00 C ATOM 1219 CG LEU A 75 95.864 0.569 12.087 1.00 0.00 C ATOM 1220 CD1 LEU A 75 95.298 0.578 10.665 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.791 1.053 13.061 1.00 0.00 C ATOM 0 H LEU A 75 97.106 -3.193 12.187 1.00 0.00 H new ATOM 0 HA LEU A 75 97.551 -0.782 10.744 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.524 -1.566 12.207 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.441 -0.917 13.552 1.00 0.00 H new ATOM 0 HG LEU A 75 96.729 1.231 12.131 1.00 0.00 H new ATOM 0 HD11 LEU A 75 94.991 1.590 10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 75 96.063 0.238 9.967 1.00 0.00 H new ATOM 0 HD13 LEU A 75 94.437 -0.088 10.612 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.479 2.061 12.788 1.00 0.00 H new ATOM 0 HD22 LEU A 75 93.932 0.384 13.018 1.00 0.00 H new ATOM 0 HD23 LEU A 75 95.195 1.060 14.073 1.00 0.00 H new ATOM 1233 N ALA A 76 99.447 0.368 11.793 1.00 0.00 N ATOM 1234 CA ALA A 76 100.587 1.076 12.360 1.00 0.00 C ATOM 1235 C ALA A 76 100.155 2.424 12.947 1.00 0.00 C ATOM 1236 O ALA A 76 100.615 2.828 14.016 1.00 0.00 O ATOM 1237 CB ALA A 76 101.672 1.257 11.301 1.00 0.00 C ATOM 0 H ALA A 76 99.198 0.661 10.848 1.00 0.00 H new ATOM 0 HA ALA A 76 100.999 0.480 13.174 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.519 1.787 11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 76 101.999 0.280 10.945 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.273 1.833 10.466 1.00 0.00 H new ATOM 1243 N TRP A 77 99.278 3.116 12.219 1.00 0.00 N ATOM 1244 CA TRP A 77 98.790 4.432 12.648 1.00 0.00 C ATOM 1245 C TRP A 77 97.640 4.900 11.747 1.00 0.00 C ATOM 1246 O TRP A 77 97.441 4.368 10.655 1.00 0.00 O ATOM 1247 CB TRP A 77 99.935 5.450 12.551 1.00 0.00 C ATOM 1248 CG TRP A 77 100.324 5.538 11.117 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.325 4.840 10.537 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.722 6.345 10.063 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.319 5.100 9.184 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.371 6.045 8.848 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.672 7.278 10.040 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 100.001 6.652 7.649 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.296 7.897 8.835 1.00 0.00 C ATOM 1256 CH2 TRP A 77 98.963 7.587 7.641 1.00 0.00 C ATOM 0 H TRP A 77 98.891 2.791 11.333 1.00 0.00 H new ATOM 0 HA TRP A 77 98.432 4.354 13.675 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.617 6.424 12.924 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.782 5.136 13.161 1.00 0.00 H new ATOM 0 HD1 TRP A 77 102.016 4.186 11.049 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.940 4.649 8.512 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.150 7.521 10.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.513 6.401 6.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.489 8.615 8.829 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.675 8.069 6.719 1.00 0.00 H new ATOM 1267 N ALA A 78 96.907 5.917 12.200 1.00 0.00 N ATOM 1268 CA ALA A 78 95.803 6.475 11.415 1.00 0.00 C ATOM 1269 C ALA A 78 95.744 7.986 11.616 1.00 0.00 C ATOM 1270 O ALA A 78 95.641 8.454 12.750 1.00 0.00 O ATOM 1271 CB ALA A 78 94.484 5.869 11.900 1.00 0.00 C ATOM 0 H ALA A 78 97.056 6.370 13.102 1.00 0.00 H new ATOM 0 HA ALA A 78 95.960 6.246 10.361 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.659 6.281 11.319 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.512 4.787 11.773 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.340 6.107 12.954 1.00 0.00 H new ATOM 1277 N ARG A 79 95.805 8.760 10.531 1.00 0.00 N ATOM 1278 CA ARG A 79 95.749 10.214 10.676 1.00 0.00 C ATOM 1279 C ARG A 79 95.161 10.915 9.447 1.00 0.00 C ATOM 1280 O ARG A 79 95.572 10.658 8.315 1.00 0.00 O ATOM 1281 CB ARG A 79 97.156 10.751 10.969 1.00 0.00 C ATOM 1282 CG ARG A 79 97.077 12.058 11.766 1.00 0.00 C ATOM 1283 CD ARG A 79 98.488 12.504 12.173 1.00 0.00 C ATOM 1284 NE ARG A 79 98.472 13.055 13.525 1.00 0.00 N ATOM 1285 CZ ARG A 79 99.571 13.071 14.275 1.00 0.00 C ATOM 1286 NH1 ARG A 79 100.691 12.594 13.801 1.00 0.00 N ATOM 1287 NH2 ARG A 79 99.530 13.564 15.483 1.00 0.00 N ATOM 0 H ARG A 79 95.890 8.419 9.573 1.00 0.00 H new ATOM 0 HA ARG A 79 95.080 10.433 11.508 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.725 10.010 11.530 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.689 10.920 10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.600 12.833 11.166 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.460 11.917 12.653 1.00 0.00 H new ATOM 0 HD2 ARG A 79 99.173 11.657 12.126 1.00 0.00 H new ATOM 0 HD3 ARG A 79 98.857 13.252 11.472 1.00 0.00 H new ATOM 0 HE ARG A 79 97.603 13.434 13.901 1.00 0.00 H new ATOM 0 HH11 ARG A 79 100.723 12.210 12.857 1.00 0.00 H new ATOM 0 HH12 ARG A 79 101.534 12.606 14.375 1.00 0.00 H new ATOM 0 HH21 ARG A 79 98.655 13.937 15.852 1.00 0.00 H new ATOM 0 HH22 ARG A 79 100.373 13.576 16.058 1.00 0.00 H new ATOM 1301 N ASP A 80 94.240 11.848 9.692 1.00 0.00 N ATOM 1302 CA ASP A 80 93.645 12.644 8.620 1.00 0.00 C ATOM 1303 C ASP A 80 92.975 11.807 7.532 1.00 0.00 C ATOM 1304 O ASP A 80 93.156 12.081 6.346 1.00 0.00 O ATOM 1305 CB ASP A 80 94.721 13.529 7.983 1.00 0.00 C ATOM 1306 CG ASP A 80 94.080 14.766 7.359 1.00 0.00 C ATOM 1307 OD1 ASP A 80 93.681 14.686 6.209 1.00 0.00 O ATOM 1308 OD2 ASP A 80 93.997 15.774 8.042 1.00 0.00 O ATOM 0 H ASP A 80 93.890 12.070 10.624 1.00 0.00 H new ATOM 0 HA ASP A 80 92.861 13.245 9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.450 13.828 8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 80 95.262 12.967 7.222 1.00 0.00 H new ATOM 1313 N GLY A 81 92.164 10.829 7.918 1.00 0.00 N ATOM 1314 CA GLY A 81 91.445 10.030 6.929 1.00 0.00 C ATOM 1315 C GLY A 81 92.283 8.902 6.343 1.00 0.00 C ATOM 1316 O GLY A 81 91.735 7.895 5.893 1.00 0.00 O ATOM 0 H GLY A 81 91.989 10.572 8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.553 9.608 7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 81 91.108 10.680 6.122 1.00 0.00 H new ATOM 1320 N LEU A 82 93.601 9.060 6.324 1.00 0.00 N ATOM 1321 CA LEU A 82 94.458 8.024 5.758 1.00 0.00 C ATOM 1322 C LEU A 82 94.856 7.019 6.833 1.00 0.00 C ATOM 1323 O LEU A 82 94.789 7.313 8.026 1.00 0.00 O ATOM 1324 CB LEU A 82 95.710 8.659 5.148 1.00 0.00 C ATOM 1325 CG LEU A 82 95.344 9.994 4.494 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.555 10.533 3.730 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.182 9.785 3.517 1.00 0.00 C ATOM 0 H LEU A 82 94.092 9.877 6.686 1.00 0.00 H new ATOM 0 HA LEU A 82 93.906 7.501 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.463 8.816 5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.146 7.988 4.408 1.00 0.00 H new ATOM 0 HG LEU A 82 95.048 10.706 5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.297 11.484 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.385 10.681 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 82 96.847 9.818 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 82 93.922 10.736 3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.478 9.073 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.318 9.397 4.057 1.00 0.00 H new ATOM 1339 N LEU A 83 95.258 5.828 6.400 1.00 0.00 N ATOM 1340 CA LEU A 83 95.648 4.774 7.331 1.00 0.00 C ATOM 1341 C LEU A 83 96.967 4.144 6.930 1.00 0.00 C ATOM 1342 O LEU A 83 97.176 3.831 5.758 1.00 0.00 O ATOM 1343 CB LEU A 83 94.596 3.663 7.279 1.00 0.00 C ATOM 1344 CG LEU A 83 93.202 4.240 7.518 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.164 3.148 7.249 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.076 4.718 8.970 1.00 0.00 C ATOM 0 H LEU A 83 95.322 5.569 5.415 1.00 0.00 H new ATOM 0 HA LEU A 83 95.737 5.218 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.630 3.166 6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.818 2.907 8.032 1.00 0.00 H new ATOM 0 HG LEU A 83 93.037 5.086 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.164 3.548 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.251 2.809 6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.336 2.308 7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.079 5.128 9.133 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.237 3.878 9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.822 5.489 9.165 1.00 0.00 H new ATOM 1358 N GLY A 84 97.850 3.929 7.894 1.00 0.00 N ATOM 1359 CA GLY A 84 99.127 3.304 7.600 1.00 0.00 C ATOM 1360 C GLY A 84 99.097 1.851 8.029 1.00 0.00 C ATOM 1361 O GLY A 84 98.341 1.472 8.923 1.00 0.00 O ATOM 0 H GLY A 84 97.707 4.175 8.874 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.339 3.374 6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.928 3.830 8.120 1.00 0.00 H new ATOM 1365 N PHE A 85 99.914 1.041 7.385 1.00 0.00 N ATOM 1366 CA PHE A 85 99.967 -0.375 7.705 1.00 0.00 C ATOM 1367 C PHE A 85 101.384 -0.902 7.549 1.00 0.00 C ATOM 1368 O PHE A 85 102.065 -0.589 6.572 1.00 0.00 O ATOM 1369 CB PHE A 85 99.042 -1.147 6.767 1.00 0.00 C ATOM 1370 CG PHE A 85 97.605 -0.988 7.202 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.103 -1.777 8.241 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.774 -0.062 6.561 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.771 -1.640 8.643 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.441 0.074 6.964 1.00 0.00 C ATOM 1375 CZ PHE A 85 94.941 -0.714 8.004 1.00 0.00 C ATOM 0 H PHE A 85 100.547 1.335 6.641 1.00 0.00 H new ATOM 0 HA PHE A 85 99.647 -0.510 8.738 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.163 -0.784 5.746 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.314 -2.203 6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.744 -2.493 8.733 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.161 0.546 5.757 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.384 -2.249 9.446 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.798 0.788 6.471 1.00 0.00 H new ATOM 0 HZ PHE A 85 93.912 -0.608 8.315 1.00 0.00 H new ATOM 1385 N GLU A 86 101.825 -1.711 8.505 1.00 0.00 N ATOM 1386 CA GLU A 86 103.166 -2.279 8.445 1.00 0.00 C ATOM 1387 C GLU A 86 103.072 -3.743 8.023 1.00 0.00 C ATOM 1388 O GLU A 86 102.289 -4.510 8.582 1.00 0.00 O ATOM 1389 CB GLU A 86 103.846 -2.170 9.814 1.00 0.00 C ATOM 1390 CG GLU A 86 103.002 -2.889 10.876 1.00 0.00 C ATOM 1391 CD GLU A 86 103.168 -2.207 12.231 1.00 0.00 C ATOM 1392 OE1 GLU A 86 104.269 -1.768 12.520 1.00 0.00 O ATOM 1393 OE2 GLU A 86 102.192 -2.133 12.958 1.00 0.00 O ATOM 0 H GLU A 86 101.281 -1.986 9.322 1.00 0.00 H new ATOM 0 HA GLU A 86 103.761 -1.728 7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 86 104.843 -2.609 9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.971 -1.122 10.085 1.00 0.00 H new ATOM 0 HG2 GLU A 86 101.952 -2.881 10.583 1.00 0.00 H new ATOM 0 HG3 GLU A 86 103.306 -3.933 10.947 1.00 0.00 H new ATOM 1400 N CYS A 87 103.848 -4.115 7.011 1.00 0.00 N ATOM 1401 CA CYS A 87 103.816 -5.480 6.495 1.00 0.00 C ATOM 1402 C CYS A 87 104.404 -6.486 7.478 1.00 0.00 C ATOM 1403 O CYS A 87 105.574 -6.399 7.850 1.00 0.00 O ATOM 1404 CB CYS A 87 104.592 -5.552 5.181 1.00 0.00 C ATOM 1405 SG CYS A 87 104.625 -7.263 4.594 1.00 0.00 S ATOM 0 H CYS A 87 104.503 -3.496 6.534 1.00 0.00 H new ATOM 0 HA CYS A 87 102.770 -5.741 6.337 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.125 -4.909 4.435 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.609 -5.186 5.326 1.00 0.00 H new ATOM 0 HG CYS A 87 105.283 -7.325 3.475 1.00 0.00 H new ATOM 1411 N GLN A 88 103.582 -7.455 7.878 1.00 0.00 N ATOM 1412 CA GLN A 88 104.025 -8.495 8.799 1.00 0.00 C ATOM 1413 C GLN A 88 104.491 -9.722 8.019 1.00 0.00 C ATOM 1414 O GLN A 88 105.430 -10.407 8.423 1.00 0.00 O ATOM 1415 CB GLN A 88 102.882 -8.895 9.735 1.00 0.00 C ATOM 1416 CG GLN A 88 102.219 -7.641 10.302 1.00 0.00 C ATOM 1417 CD GLN A 88 103.238 -6.826 11.091 1.00 0.00 C ATOM 1418 OE1 GLN A 88 104.105 -6.088 10.453 1.00 0.00 O flip ATOM 1419 NE2 GLN A 88 103.244 -6.864 12.322 1.00 0.00 N flip ATOM 0 H GLN A 88 102.610 -7.540 7.579 1.00 0.00 H new ATOM 0 HA GLN A 88 104.854 -8.104 9.389 1.00 0.00 H new ATOM 0 HB2 GLN A 88 102.149 -9.493 9.194 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.263 -9.515 10.546 1.00 0.00 H new ATOM 0 HG2 GLN A 88 101.808 -7.039 9.492 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.386 -7.920 10.947 1.00 0.00 H new ATOM 0 HE21 GLN A 88 102.565 -7.442 12.818 1.00 0.00 H new ATOM 0 HE22 GLN A 88 103.928 -6.318 12.846 1.00 0.00 H new ATOM 1428 N HIS A 89 103.829 -9.990 6.894 1.00 0.00 N ATOM 1429 CA HIS A 89 104.186 -11.132 6.062 1.00 0.00 C ATOM 1430 C HIS A 89 103.613 -10.950 4.658 1.00 0.00 C ATOM 1431 O HIS A 89 102.517 -10.434 4.493 1.00 0.00 O ATOM 1432 CB HIS A 89 103.660 -12.429 6.700 1.00 0.00 C ATOM 1433 CG HIS A 89 102.655 -13.088 5.793 1.00 0.00 C ATOM 1434 ND1 HIS A 89 102.993 -13.564 4.535 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.316 -13.349 5.945 1.00 0.00 C ATOM 1436 CE1 HIS A 89 101.879 -14.081 3.985 1.00 0.00 C ATOM 1437 NE2 HIS A 89 100.828 -13.976 4.802 1.00 0.00 N ATOM 0 H HIS A 89 103.049 -9.435 6.542 1.00 0.00 H new ATOM 0 HA HIS A 89 105.271 -11.199 5.987 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.489 -13.110 6.891 1.00 0.00 H new ATOM 0 HB3 HIS A 89 103.200 -12.208 7.663 1.00 0.00 H new ATOM 0 HD2 HIS A 89 100.730 -13.105 6.819 1.00 0.00 H new ATOM 0 HE1 HIS A 89 101.840 -14.527 3.002 1.00 0.00 H new ATOM 0 HE2 HIS A 89 99.873 -14.288 4.626 1.00 0.00 H new ATOM 1445 N ILE A 90 104.376 -11.356 3.654 1.00 0.00 N ATOM 1446 CA ILE A 90 103.955 -11.215 2.261 1.00 0.00 C ATOM 1447 C ILE A 90 104.452 -12.394 1.432 1.00 0.00 C ATOM 1448 O ILE A 90 105.557 -12.897 1.633 1.00 0.00 O ATOM 1449 CB ILE A 90 104.492 -9.900 1.694 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.182 -9.819 0.194 1.00 0.00 C ATOM 1451 CG2 ILE A 90 106.006 -9.833 1.921 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.734 -8.511 -0.375 1.00 0.00 C ATOM 0 H ILE A 90 105.293 -11.787 3.775 1.00 0.00 H new ATOM 0 HA ILE A 90 102.866 -11.204 2.218 1.00 0.00 H new ATOM 0 HB ILE A 90 104.014 -9.061 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.625 -10.669 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 90 103.105 -9.872 0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.393 -8.897 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.216 -9.883 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.487 -10.671 1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.513 -8.456 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 90 104.270 -7.667 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.813 -8.476 -0.226 1.00 0.00 H new ATOM 1464 N ASP A 91 103.592 -12.846 0.515 1.00 0.00 N ATOM 1465 CA ASP A 91 103.910 -13.992 -0.335 1.00 0.00 C ATOM 1466 C ASP A 91 105.199 -13.784 -1.131 1.00 0.00 C ATOM 1467 O ASP A 91 105.506 -12.679 -1.580 1.00 0.00 O ATOM 1468 CB ASP A 91 102.750 -14.271 -1.295 1.00 0.00 C ATOM 1469 CG ASP A 91 101.460 -14.478 -0.507 1.00 0.00 C ATOM 1470 OD1 ASP A 91 100.936 -13.500 0.000 1.00 0.00 O ATOM 1471 OD2 ASP A 91 101.015 -15.611 -0.423 1.00 0.00 O ATOM 0 H ASP A 91 102.674 -12.436 0.344 1.00 0.00 H new ATOM 0 HA ASP A 91 104.063 -14.848 0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 91 102.633 -13.438 -1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.967 -15.156 -1.893 1.00 0.00 H new ATOM 1476 N LEU A 92 105.948 -14.873 -1.278 1.00 0.00 N ATOM 1477 CA LEU A 92 107.217 -14.836 -2.001 1.00 0.00 C ATOM 1478 C LEU A 92 107.014 -14.255 -3.400 1.00 0.00 C ATOM 1479 O LEU A 92 107.817 -13.448 -3.870 1.00 0.00 O ATOM 1480 CB LEU A 92 107.803 -16.250 -2.109 1.00 0.00 C ATOM 1481 CG LEU A 92 109.319 -16.172 -2.342 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.045 -16.051 -1.000 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.790 -17.441 -3.057 1.00 0.00 C ATOM 0 H LEU A 92 105.700 -15.790 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 92 107.911 -14.201 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.595 -16.810 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.328 -16.788 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 92 109.543 -15.299 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 92 111.120 -15.996 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 92 109.713 -15.149 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 92 109.820 -16.922 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.866 -17.387 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.561 -18.311 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 92 109.279 -17.529 -4.016 1.00 0.00 H new ATOM 1495 N ASP A 93 105.932 -14.663 -4.056 1.00 0.00 N ATOM 1496 CA ASP A 93 105.629 -14.171 -5.394 1.00 0.00 C ATOM 1497 C ASP A 93 105.260 -12.693 -5.336 1.00 0.00 C ATOM 1498 O ASP A 93 105.698 -11.898 -6.169 1.00 0.00 O ATOM 1499 CB ASP A 93 104.472 -14.972 -5.997 1.00 0.00 C ATOM 1500 CG ASP A 93 104.272 -14.586 -7.458 1.00 0.00 C ATOM 1501 OD1 ASP A 93 105.264 -14.416 -8.147 1.00 0.00 O ATOM 1502 OD2 ASP A 93 103.129 -14.469 -7.868 1.00 0.00 O ATOM 0 H ASP A 93 105.254 -15.329 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 93 106.511 -14.292 -6.022 1.00 0.00 H new ATOM 0 HB2 ASP A 93 104.680 -16.039 -5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 93 103.557 -14.784 -5.435 1.00 0.00 H new ATOM 1507 N SER A 94 104.458 -12.331 -4.340 1.00 0.00 N ATOM 1508 CA SER A 94 104.044 -10.945 -4.173 1.00 0.00 C ATOM 1509 C SER A 94 105.263 -10.057 -3.969 1.00 0.00 C ATOM 1510 O SER A 94 105.323 -8.935 -4.473 1.00 0.00 O ATOM 1511 CB SER A 94 103.118 -10.820 -2.964 1.00 0.00 C ATOM 1512 OG SER A 94 101.822 -11.291 -3.312 1.00 0.00 O ATOM 0 H SER A 94 104.085 -12.974 -3.642 1.00 0.00 H new ATOM 0 HA SER A 94 103.513 -10.628 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 94 103.514 -11.396 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 94 103.064 -9.781 -2.639 1.00 0.00 H new ATOM 0 HG SER A 94 101.897 -12.171 -3.736 1.00 0.00 H new ATOM 1518 N ILE A 95 106.235 -10.572 -3.227 1.00 0.00 N ATOM 1519 CA ILE A 95 107.455 -9.825 -2.958 1.00 0.00 C ATOM 1520 C ILE A 95 108.152 -9.464 -4.262 1.00 0.00 C ATOM 1521 O ILE A 95 108.712 -8.376 -4.393 1.00 0.00 O ATOM 1522 CB ILE A 95 108.399 -10.660 -2.080 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.881 -10.662 -0.642 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.809 -10.063 -2.108 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.630 -11.713 0.186 1.00 0.00 C ATOM 0 H ILE A 95 106.202 -11.499 -2.803 1.00 0.00 H new ATOM 0 HA ILE A 95 107.193 -8.907 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 95 108.435 -11.680 -2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 95 108.014 -9.675 -0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.812 -10.874 -0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.470 -10.662 -1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.182 -10.060 -3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.779 -9.041 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.253 -11.706 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.475 -12.699 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.695 -11.482 0.190 1.00 0.00 H new ATOM 1537 N SER A 96 108.131 -10.384 -5.221 1.00 0.00 N ATOM 1538 CA SER A 96 108.788 -10.130 -6.495 1.00 0.00 C ATOM 1539 C SER A 96 108.029 -9.088 -7.307 1.00 0.00 C ATOM 1540 O SER A 96 108.640 -8.223 -7.932 1.00 0.00 O ATOM 1541 CB SER A 96 108.934 -11.419 -7.297 1.00 0.00 C ATOM 1542 OG SER A 96 110.270 -11.535 -7.770 1.00 0.00 O ATOM 0 H SER A 96 107.676 -11.294 -5.143 1.00 0.00 H new ATOM 0 HA SER A 96 109.783 -9.739 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.682 -12.278 -6.675 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.239 -11.418 -8.136 1.00 0.00 H new ATOM 0 HG SER A 96 110.364 -12.364 -8.284 1.00 0.00 H new ATOM 1548 N HIS A 97 106.706 -9.154 -7.310 1.00 0.00 N ATOM 1549 CA HIS A 97 105.950 -8.175 -8.071 1.00 0.00 C ATOM 1550 C HIS A 97 106.243 -6.787 -7.510 1.00 0.00 C ATOM 1551 O HIS A 97 106.343 -5.814 -8.255 1.00 0.00 O ATOM 1552 CB HIS A 97 104.454 -8.474 -8.022 1.00 0.00 C ATOM 1553 CG HIS A 97 104.109 -9.566 -8.992 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.780 -9.302 -10.310 1.00 0.00 N ATOM 1555 CD2 HIS A 97 104.016 -10.927 -8.847 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.505 -10.476 -10.903 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.635 -11.501 -10.057 1.00 0.00 N ATOM 0 H HIS A 97 106.150 -9.850 -6.812 1.00 0.00 H new ATOM 0 HA HIS A 97 106.253 -8.220 -9.117 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.168 -8.771 -7.013 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.888 -7.574 -8.261 1.00 0.00 H new ATOM 0 HD2 HIS A 97 104.209 -11.470 -7.934 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.214 -10.578 -11.938 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.487 -12.491 -10.255 1.00 0.00 H new