USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 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 22 ASN : amide:sc= -3.72! C(o=-3.7!,f=-1.7!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= -0.143 (180deg=-0.883) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -153:sc= -0.145 (180deg=-1.27) USER MOD Single : A 41 GLN : amide:sc= -1.96! K(o=-2!,f=-0.86) USER MOD Single : A 42 LYS NZ :NH3+ -113:sc= -2.6! (180deg=-4.88!) USER MOD Single : A 44 THR OG1 : rot 111:sc= 0.133 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= -3.14! (180deg=-3.24!) USER MOD Single : A 52 SER OG : rot 180:sc= -1.41 USER MOD Single : A 55 SER OG : rot 180:sc= 0.158 USER MOD Single : A 58 MET CE :methyl 148:sc= -0.155 (180deg=-1.44!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= -1.7 K(o=-1.7,f=-2.6!) USER MOD Single : A 71 GLN : amide:sc= -2.18 K(o=-2.2,f=-0.41) USER MOD Single : A 77 LYS NZ :NH3+ -117:sc= -1.13 (180deg=-2.3!) USER MOD Single : A 80 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.4!) USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= -0.105 (180deg=-0.706) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -7.17! C(o=-7.2!,f=-3.8!) USER MOD Single : A 93 GLN : amide:sc= -0.0388 X(o=-0.039,f=-0.055) USER MOD Single : A 95 LYS NZ :NH3+ 154:sc= -0.0855 (180deg=-0.749) USER MOD Single : A 96 THR OG1 : rot 81:sc= 0.82 USER MOD Single : A 97 THR OG1 : rot 88:sc= 1.15 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.737! K(o=-0.74!,f=-0.11) USER MOD Single : A 103 GLN : amide:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 163:sc= -0.0228 (180deg=-0.424) USER MOD Single : A 105 TYR OH : rot 30:sc= -0.0475 USER MOD ----------------------------------------------------------------- ATOM 275 N ASN A 22 3.233 -19.069 10.924 1.00 0.00 N ATOM 276 CA ASN A 22 2.595 -18.872 9.620 1.00 0.00 C ATOM 277 C ASN A 22 1.850 -17.539 9.569 1.00 0.00 C ATOM 278 O ASN A 22 2.458 -16.470 9.626 1.00 0.00 O ATOM 279 CB ASN A 22 1.606 -20.015 9.378 1.00 0.00 C ATOM 280 CG ASN A 22 0.703 -20.180 10.594 1.00 0.00 C ATOM 281 OD1 ASN A 22 1.157 -20.031 11.729 1.00 0.00 O ATOM 282 ND2 ASN A 22 -0.556 -20.478 10.426 1.00 0.00 N ATOM 0 HA ASN A 22 3.365 -18.862 8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.005 -19.807 8.493 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.147 -20.942 9.186 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.166 -20.588 11.236 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.930 -20.601 9.485 1.00 0.00 H new ATOM 289 N ALA A 23 0.525 -17.620 9.467 1.00 0.00 N ATOM 290 CA ALA A 23 -0.317 -16.433 9.414 1.00 0.00 C ATOM 291 C ALA A 23 0.144 -15.396 10.433 1.00 0.00 C ATOM 292 O ALA A 23 -0.076 -14.200 10.257 1.00 0.00 O ATOM 293 CB ALA A 23 -1.764 -16.825 9.717 1.00 0.00 C ATOM 0 H ALA A 23 0.012 -18.500 9.419 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.244 -16.000 8.416 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.397 -15.938 9.678 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.107 -17.549 8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.820 -17.268 10.711 1.00 0.00 H new ATOM 299 N ALA A 24 0.773 -15.866 11.503 1.00 0.00 N ATOM 300 CA ALA A 24 1.245 -14.970 12.548 1.00 0.00 C ATOM 301 C ALA A 24 2.346 -14.048 12.030 1.00 0.00 C ATOM 302 O ALA A 24 2.216 -12.824 12.084 1.00 0.00 O ATOM 303 CB ALA A 24 1.772 -15.783 13.732 1.00 0.00 C ATOM 0 H ALA A 24 0.966 -16.854 11.668 1.00 0.00 H new ATOM 0 HA ALA A 24 0.405 -14.354 12.869 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.124 -15.106 14.510 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.972 -16.408 14.129 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.596 -16.415 13.401 1.00 0.00 H new ATOM 309 N GLN A 25 3.432 -14.635 11.537 1.00 0.00 N ATOM 310 CA GLN A 25 4.544 -13.840 11.029 1.00 0.00 C ATOM 311 C GLN A 25 4.110 -13.013 9.818 1.00 0.00 C ATOM 312 O GLN A 25 4.601 -11.905 9.606 1.00 0.00 O ATOM 313 CB GLN A 25 5.747 -14.761 10.687 1.00 0.00 C ATOM 314 CG GLN A 25 5.746 -15.196 9.210 1.00 0.00 C ATOM 315 CD GLN A 25 6.895 -16.169 8.958 1.00 0.00 C ATOM 316 OE1 GLN A 25 7.813 -15.860 8.198 1.00 0.00 O ATOM 317 NE2 GLN A 25 6.903 -17.330 9.552 1.00 0.00 N ATOM 0 H GLN A 25 3.565 -15.645 11.479 1.00 0.00 H new ATOM 0 HA GLN A 25 4.861 -13.142 11.804 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.677 -14.238 10.909 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.718 -15.645 11.324 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.796 -15.668 8.961 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.847 -14.324 8.564 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.142 -17.586 10.182 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.670 -17.982 9.387 1.00 0.00 H new ATOM 326 N VAL A 26 3.199 -13.562 9.023 1.00 0.00 N ATOM 327 CA VAL A 26 2.726 -12.864 7.837 1.00 0.00 C ATOM 328 C VAL A 26 1.819 -11.698 8.233 1.00 0.00 C ATOM 329 O VAL A 26 2.077 -10.552 7.869 1.00 0.00 O ATOM 330 CB VAL A 26 1.999 -13.867 6.898 1.00 0.00 C ATOM 331 CG1 VAL A 26 0.906 -13.167 6.084 1.00 0.00 C ATOM 332 CG2 VAL A 26 3.016 -14.498 5.928 1.00 0.00 C ATOM 0 H VAL A 26 2.778 -14.478 9.177 1.00 0.00 H new ATOM 0 HA VAL A 26 3.574 -12.446 7.295 1.00 0.00 H new ATOM 0 HB VAL A 26 1.538 -14.637 7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.414 -13.892 5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.172 -12.729 6.761 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.353 -12.381 5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.504 -15.201 5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.482 -13.715 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.782 -15.025 6.496 1.00 0.00 H new ATOM 342 N LYS A 27 0.756 -11.993 8.970 1.00 0.00 N ATOM 343 CA LYS A 27 -0.174 -10.953 9.399 1.00 0.00 C ATOM 344 C LYS A 27 0.587 -9.713 9.872 1.00 0.00 C ATOM 345 O LYS A 27 0.251 -8.587 9.504 1.00 0.00 O ATOM 346 CB LYS A 27 -1.056 -11.483 10.533 1.00 0.00 C ATOM 347 CG LYS A 27 -2.180 -12.350 9.959 1.00 0.00 C ATOM 348 CD LYS A 27 -2.795 -13.208 11.071 1.00 0.00 C ATOM 349 CE LYS A 27 -3.424 -12.308 12.138 1.00 0.00 C ATOM 350 NZ LYS A 27 -4.263 -11.265 11.483 1.00 0.00 N ATOM 0 H LYS A 27 0.516 -12.934 9.282 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.800 -10.675 8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.455 -12.067 11.230 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.479 -10.651 11.096 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.946 -11.718 9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.790 -12.990 9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.550 -13.873 10.653 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.029 -13.839 11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.033 -12.904 12.818 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.644 -11.838 12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.918 -10.857 12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.651 -10.515 11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.807 -11.694 10.707 1.00 0.00 H new ATOM 364 N ASP A 28 1.615 -9.927 10.685 1.00 0.00 N ATOM 365 CA ASP A 28 2.411 -8.813 11.186 1.00 0.00 C ATOM 366 C ASP A 28 3.079 -8.091 10.023 1.00 0.00 C ATOM 367 O ASP A 28 3.324 -6.886 10.081 1.00 0.00 O ATOM 368 CB ASP A 28 3.477 -9.326 12.156 1.00 0.00 C ATOM 369 CG ASP A 28 2.813 -10.021 13.339 1.00 0.00 C ATOM 370 OD1 ASP A 28 1.651 -10.371 13.218 1.00 0.00 O ATOM 371 OD2 ASP A 28 3.477 -10.190 14.349 1.00 0.00 O ATOM 0 H ASP A 28 1.914 -10.847 11.008 1.00 0.00 H new ATOM 0 HA ASP A 28 1.756 -8.118 11.712 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.144 -10.020 11.643 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.090 -8.496 12.508 1.00 0.00 H new ATOM 376 N ALA A 29 3.368 -8.844 8.968 1.00 0.00 N ATOM 377 CA ALA A 29 4.010 -8.286 7.785 1.00 0.00 C ATOM 378 C ALA A 29 3.020 -7.464 6.959 1.00 0.00 C ATOM 379 O ALA A 29 3.421 -6.653 6.126 1.00 0.00 O ATOM 380 CB ALA A 29 4.580 -9.422 6.927 1.00 0.00 C ATOM 0 H ALA A 29 3.168 -9.842 8.908 1.00 0.00 H new ATOM 0 HA ALA A 29 4.816 -7.627 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.060 -9.004 6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.313 -9.983 7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.773 -10.087 6.621 1.00 0.00 H new ATOM 386 N LEU A 30 1.726 -7.677 7.192 1.00 0.00 N ATOM 387 CA LEU A 30 0.695 -6.943 6.456 1.00 0.00 C ATOM 388 C LEU A 30 0.497 -5.559 7.074 1.00 0.00 C ATOM 389 O LEU A 30 0.542 -4.544 6.376 1.00 0.00 O ATOM 390 CB LEU A 30 -0.635 -7.731 6.480 1.00 0.00 C ATOM 391 CG LEU A 30 -0.722 -8.719 5.302 1.00 0.00 C ATOM 392 CD1 LEU A 30 0.212 -9.912 5.527 1.00 0.00 C ATOM 393 CD2 LEU A 30 -2.157 -9.236 5.195 1.00 0.00 C ATOM 0 H LEU A 30 1.368 -8.344 7.876 1.00 0.00 H new ATOM 0 HA LEU A 30 1.015 -6.825 5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.721 -8.275 7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.473 -7.035 6.437 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.427 -8.203 4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.136 -10.598 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.239 -9.558 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.073 -10.430 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.230 -9.937 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.432 -9.741 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.834 -8.399 5.024 1.00 0.00 H new ATOM 405 N THR A 31 0.283 -5.522 8.383 1.00 0.00 N ATOM 406 CA THR A 31 0.088 -4.249 9.062 1.00 0.00 C ATOM 407 C THR A 31 1.339 -3.400 8.933 1.00 0.00 C ATOM 408 O THR A 31 1.278 -2.173 8.988 1.00 0.00 O ATOM 409 CB THR A 31 -0.227 -4.477 10.537 1.00 0.00 C ATOM 410 OG1 THR A 31 -0.411 -3.222 11.178 1.00 0.00 O ATOM 411 CG2 THR A 31 0.934 -5.222 11.192 1.00 0.00 C ATOM 0 H THR A 31 0.241 -6.343 8.986 1.00 0.00 H new ATOM 0 HA THR A 31 -0.751 -3.731 8.598 1.00 0.00 H new ATOM 0 HB THR A 31 -1.137 -5.069 10.632 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.615 -3.366 12.126 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.712 -5.387 12.246 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.076 -6.183 10.697 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.844 -4.629 11.101 1.00 0.00 H new ATOM 419 N LYS A 32 2.477 -4.059 8.748 1.00 0.00 N ATOM 420 CA LYS A 32 3.732 -3.337 8.597 1.00 0.00 C ATOM 421 C LYS A 32 3.558 -2.293 7.499 1.00 0.00 C ATOM 422 O LYS A 32 3.674 -1.093 7.744 1.00 0.00 O ATOM 423 CB LYS A 32 4.877 -4.321 8.253 1.00 0.00 C ATOM 424 CG LYS A 32 6.160 -3.941 9.020 1.00 0.00 C ATOM 425 CD LYS A 32 7.399 -4.531 8.318 1.00 0.00 C ATOM 426 CE LYS A 32 7.891 -3.576 7.221 1.00 0.00 C ATOM 427 NZ LYS A 32 8.739 -2.516 7.833 1.00 0.00 N ATOM 0 H LYS A 32 2.556 -5.075 8.700 1.00 0.00 H new ATOM 0 HA LYS A 32 3.996 -2.839 9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.580 -5.338 8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.069 -4.305 7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.249 -2.856 9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.103 -4.311 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.192 -4.700 9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.153 -5.500 7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.461 -4.127 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.042 -3.126 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.073 -1.868 7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.181 -1.985 8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.556 -2.954 8.304 1.00 0.00 H new ATOM 441 N MET A 33 3.247 -2.762 6.293 1.00 0.00 N ATOM 442 CA MET A 33 3.019 -1.863 5.177 1.00 0.00 C ATOM 443 C MET A 33 1.991 -0.815 5.602 1.00 0.00 C ATOM 444 O MET A 33 2.297 0.374 5.668 1.00 0.00 O ATOM 445 CB MET A 33 2.526 -2.667 3.956 1.00 0.00 C ATOM 446 CG MET A 33 2.940 -4.139 4.105 1.00 0.00 C ATOM 447 SD MET A 33 4.699 -4.248 4.527 1.00 0.00 S ATOM 448 CE MET A 33 5.331 -3.363 3.084 1.00 0.00 C ATOM 0 H MET A 33 3.149 -3.752 6.070 1.00 0.00 H new ATOM 0 HA MET A 33 3.943 -1.359 4.894 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.442 -2.591 3.872 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.947 -2.251 3.040 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.341 -4.617 4.880 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.746 -4.676 3.176 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.345 -3.699 2.866 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.690 -3.563 2.225 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.340 -2.292 3.289 1.00 0.00 H new ATOM 458 N ARG A 34 0.779 -1.277 5.921 1.00 0.00 N ATOM 459 CA ARG A 34 -0.294 -0.390 6.382 1.00 0.00 C ATOM 460 C ARG A 34 0.259 0.772 7.209 1.00 0.00 C ATOM 461 O ARG A 34 0.155 1.931 6.811 1.00 0.00 O ATOM 462 CB ARG A 34 -1.265 -1.201 7.242 1.00 0.00 C ATOM 463 CG ARG A 34 -2.543 -0.401 7.484 1.00 0.00 C ATOM 464 CD ARG A 34 -3.562 -1.278 8.219 1.00 0.00 C ATOM 465 NE ARG A 34 -4.585 -0.444 8.838 1.00 0.00 N ATOM 466 CZ ARG A 34 -5.371 -0.917 9.800 1.00 0.00 C ATOM 467 NH1 ARG A 34 -5.238 -2.150 10.204 1.00 0.00 N ATOM 468 NH2 ARG A 34 -6.278 -0.147 10.338 1.00 0.00 N ATOM 0 H ARG A 34 0.515 -2.261 5.869 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.801 0.025 5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.504 -2.142 6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.798 -1.452 8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.322 0.489 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.957 -0.061 6.535 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.024 -1.976 7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.059 -1.875 8.980 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.700 0.521 8.527 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.531 -2.752 9.782 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.841 -2.513 10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.383 0.816 10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.882 -0.509 11.076 1.00 0.00 H new ATOM 482 N ALA A 35 0.845 0.452 8.358 1.00 0.00 N ATOM 483 CA ALA A 35 1.407 1.478 9.228 1.00 0.00 C ATOM 484 C ALA A 35 2.428 2.329 8.476 1.00 0.00 C ATOM 485 O ALA A 35 2.605 3.509 8.773 1.00 0.00 O ATOM 486 CB ALA A 35 2.078 0.826 10.438 1.00 0.00 C ATOM 0 H ALA A 35 0.943 -0.502 8.706 1.00 0.00 H new ATOM 0 HA ALA A 35 0.595 2.123 9.563 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.495 1.599 11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.341 0.248 10.995 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.877 0.166 10.099 1.00 0.00 H new ATOM 492 N ALA A 36 3.094 1.722 7.500 1.00 0.00 N ATOM 493 CA ALA A 36 4.094 2.435 6.713 1.00 0.00 C ATOM 494 C ALA A 36 3.417 3.459 5.810 1.00 0.00 C ATOM 495 O ALA A 36 3.769 4.639 5.816 1.00 0.00 O ATOM 496 CB ALA A 36 4.908 1.446 5.867 1.00 0.00 C ATOM 0 H ALA A 36 2.961 0.746 7.236 1.00 0.00 H new ATOM 0 HA ALA A 36 4.769 2.954 7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.651 1.991 5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.411 0.735 6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.241 0.909 5.193 1.00 0.00 H new ATOM 502 N ALA A 37 2.435 3.000 5.041 1.00 0.00 N ATOM 503 CA ALA A 37 1.706 3.884 4.144 1.00 0.00 C ATOM 504 C ALA A 37 1.058 5.009 4.940 1.00 0.00 C ATOM 505 O ALA A 37 1.143 6.180 4.569 1.00 0.00 O ATOM 506 CB ALA A 37 0.632 3.089 3.390 1.00 0.00 C ATOM 0 H ALA A 37 2.128 2.027 5.022 1.00 0.00 H new ATOM 0 HA ALA A 37 2.401 4.315 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.089 3.756 2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.106 2.298 2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.063 2.648 4.105 1.00 0.00 H new ATOM 512 N LEU A 38 0.417 4.640 6.043 1.00 0.00 N ATOM 513 CA LEU A 38 -0.241 5.627 6.897 1.00 0.00 C ATOM 514 C LEU A 38 0.791 6.631 7.405 1.00 0.00 C ATOM 515 O LEU A 38 0.615 7.844 7.287 1.00 0.00 O ATOM 516 CB LEU A 38 -0.926 4.924 8.088 1.00 0.00 C ATOM 517 CG LEU A 38 -2.142 5.731 8.566 1.00 0.00 C ATOM 518 CD1 LEU A 38 -2.847 4.961 9.684 1.00 0.00 C ATOM 519 CD2 LEU A 38 -1.687 7.099 9.089 1.00 0.00 C ATOM 0 H LEU A 38 0.338 3.676 6.366 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.000 6.153 6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.240 3.922 7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.215 4.808 8.906 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.829 5.881 7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.711 5.529 10.028 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.176 3.992 9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.157 4.812 10.515 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.554 7.666 9.426 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.998 6.959 9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.185 7.645 8.291 1.00 0.00 H new ATOM 531 N ASP A 39 1.866 6.102 7.972 1.00 0.00 N ATOM 532 CA ASP A 39 2.936 6.929 8.508 1.00 0.00 C ATOM 533 C ASP A 39 3.421 7.949 7.475 1.00 0.00 C ATOM 534 O ASP A 39 3.331 9.157 7.689 1.00 0.00 O ATOM 535 CB ASP A 39 4.100 6.027 8.938 1.00 0.00 C ATOM 536 CG ASP A 39 5.326 6.858 9.303 1.00 0.00 C ATOM 537 OD1 ASP A 39 5.427 7.255 10.451 1.00 0.00 O ATOM 538 OD2 ASP A 39 6.144 7.085 8.427 1.00 0.00 O ATOM 0 H ASP A 39 2.020 5.099 8.073 1.00 0.00 H new ATOM 0 HA ASP A 39 2.553 7.481 9.367 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.799 5.421 9.792 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.349 5.339 8.131 1.00 0.00 H new ATOM 543 N ALA A 40 3.947 7.452 6.362 1.00 0.00 N ATOM 544 CA ALA A 40 4.463 8.323 5.313 1.00 0.00 C ATOM 545 C ALA A 40 3.453 9.405 4.937 1.00 0.00 C ATOM 546 O ALA A 40 3.768 10.595 4.941 1.00 0.00 O ATOM 547 CB ALA A 40 4.806 7.491 4.075 1.00 0.00 C ATOM 0 H ALA A 40 4.027 6.455 6.163 1.00 0.00 H new ATOM 0 HA ALA A 40 5.359 8.813 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.191 8.145 3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.562 6.749 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.909 6.986 3.716 1.00 0.00 H new ATOM 553 N GLN A 41 2.249 8.973 4.604 1.00 0.00 N ATOM 554 CA GLN A 41 1.183 9.879 4.209 1.00 0.00 C ATOM 555 C GLN A 41 1.062 11.085 5.153 1.00 0.00 C ATOM 556 O GLN A 41 0.824 12.200 4.710 1.00 0.00 O ATOM 557 CB GLN A 41 -0.112 9.080 4.188 1.00 0.00 C ATOM 558 CG GLN A 41 -1.308 9.976 3.843 1.00 0.00 C ATOM 559 CD GLN A 41 -2.466 9.109 3.364 1.00 0.00 C ATOM 560 OE1 GLN A 41 -3.510 9.623 2.963 1.00 0.00 O ATOM 561 NE2 GLN A 41 -2.335 7.810 3.387 1.00 0.00 N ATOM 0 H GLN A 41 1.983 7.988 4.600 1.00 0.00 H new ATOM 0 HA GLN A 41 1.405 10.289 3.224 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.034 8.275 3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.271 8.614 5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.609 10.553 4.717 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.030 10.691 3.069 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.467 7.391 3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.101 7.215 3.071 1.00 0.00 H new ATOM 570 N LYS A 42 1.226 10.881 6.458 1.00 0.00 N ATOM 571 CA LYS A 42 1.108 12.018 7.393 1.00 0.00 C ATOM 572 C LYS A 42 1.924 11.803 8.664 1.00 0.00 C ATOM 573 O LYS A 42 1.389 11.823 9.773 1.00 0.00 O ATOM 574 CB LYS A 42 -0.377 12.248 7.756 1.00 0.00 C ATOM 575 CG LYS A 42 -1.079 13.081 6.671 1.00 0.00 C ATOM 576 CD LYS A 42 -2.468 13.504 7.155 1.00 0.00 C ATOM 577 CE LYS A 42 -3.260 12.278 7.628 1.00 0.00 C ATOM 578 NZ LYS A 42 -2.864 11.939 9.024 1.00 0.00 N ATOM 0 H LYS A 42 1.433 9.980 6.888 1.00 0.00 H new ATOM 0 HA LYS A 42 1.508 12.899 6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.882 11.289 7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.447 12.759 8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.483 13.962 6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.166 12.499 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.374 14.222 7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.005 14.004 6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.330 12.483 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.069 11.431 6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.368 11.025 9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.234 12.678 9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.714 11.877 9.621 1.00 0.00 H new ATOM 592 N ALA A 43 3.219 11.613 8.494 1.00 0.00 N ATOM 593 CA ALA A 43 4.107 11.415 9.633 1.00 0.00 C ATOM 594 C ALA A 43 5.551 11.694 9.237 1.00 0.00 C ATOM 595 O ALA A 43 6.241 12.489 9.876 1.00 0.00 O ATOM 596 CB ALA A 43 3.980 9.979 10.159 1.00 0.00 C ATOM 0 H ALA A 43 3.681 11.591 7.585 1.00 0.00 H new ATOM 0 HA ALA A 43 3.818 12.111 10.421 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.648 9.843 11.010 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.952 9.796 10.472 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.250 9.277 9.370 1.00 0.00 H new ATOM 602 N THR A 44 6.005 11.013 8.185 1.00 0.00 N ATOM 603 CA THR A 44 7.375 11.160 7.707 1.00 0.00 C ATOM 604 C THR A 44 7.424 11.636 6.255 1.00 0.00 C ATOM 605 O THR A 44 7.587 10.819 5.349 1.00 0.00 O ATOM 606 CB THR A 44 8.081 9.806 7.815 1.00 0.00 C ATOM 607 OG1 THR A 44 8.080 9.385 9.172 1.00 0.00 O ATOM 608 CG2 THR A 44 9.521 9.924 7.316 1.00 0.00 C ATOM 0 H THR A 44 5.441 10.354 7.648 1.00 0.00 H new ATOM 0 HA THR A 44 7.872 11.911 8.321 1.00 0.00 H new ATOM 0 HB THR A 44 7.554 9.075 7.202 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.488 8.610 9.274 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.015 8.956 7.397 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.520 10.245 6.274 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.057 10.656 7.920 1.00 0.00 H new ATOM 616 N PRO A 45 7.319 12.930 6.006 1.00 0.00 N ATOM 617 CA PRO A 45 7.395 13.477 4.621 1.00 0.00 C ATOM 618 C PRO A 45 8.426 12.701 3.786 1.00 0.00 C ATOM 619 O PRO A 45 9.630 12.902 3.947 1.00 0.00 O ATOM 620 CB PRO A 45 7.833 14.918 4.860 1.00 0.00 C ATOM 621 CG PRO A 45 7.163 15.295 6.144 1.00 0.00 C ATOM 622 CD PRO A 45 7.108 14.011 6.993 1.00 0.00 C ATOM 0 HA PRO A 45 6.462 13.402 4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.917 14.997 4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.524 15.569 4.043 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.720 16.078 6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.161 15.684 5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.879 14.007 7.763 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.149 13.908 7.502 1.00 0.00 H new ATOM 630 N PRO A 46 7.992 11.785 2.947 1.00 0.00 N ATOM 631 CA PRO A 46 8.917 10.932 2.138 1.00 0.00 C ATOM 632 C PRO A 46 9.483 11.635 0.901 1.00 0.00 C ATOM 633 O PRO A 46 10.400 12.449 1.008 1.00 0.00 O ATOM 634 CB PRO A 46 8.023 9.748 1.761 1.00 0.00 C ATOM 635 CG PRO A 46 6.672 10.358 1.597 1.00 0.00 C ATOM 636 CD PRO A 46 6.579 11.455 2.664 1.00 0.00 C ATOM 0 HA PRO A 46 9.815 10.656 2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.360 9.270 0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.025 8.983 2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.549 10.773 0.597 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.887 9.613 1.732 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.030 12.323 2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.063 11.103 3.557 1.00 0.00 H new ATOM 644 N LYS A 47 8.951 11.298 -0.271 1.00 0.00 N ATOM 645 CA LYS A 47 9.433 11.883 -1.516 1.00 0.00 C ATOM 646 C LYS A 47 8.820 13.253 -1.758 1.00 0.00 C ATOM 647 O LYS A 47 9.282 13.996 -2.624 1.00 0.00 O ATOM 648 CB LYS A 47 9.091 10.964 -2.691 1.00 0.00 C ATOM 649 CG LYS A 47 9.454 9.519 -2.339 1.00 0.00 C ATOM 650 CD LYS A 47 10.949 9.425 -2.009 1.00 0.00 C ATOM 651 CE LYS A 47 11.405 7.967 -2.097 1.00 0.00 C ATOM 652 NZ LYS A 47 12.853 7.880 -1.754 1.00 0.00 N ATOM 0 H LYS A 47 8.191 10.627 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 47 10.514 11.997 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.029 11.036 -2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.635 11.279 -3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.862 9.183 -1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.214 8.860 -3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.524 10.039 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.136 9.815 -1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.821 7.350 -1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.234 7.581 -3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.165 6.890 -1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.403 8.457 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.003 8.233 -0.787 1.00 0.00 H new ATOM 666 N LEU A 48 7.782 13.597 -1.002 1.00 0.00 N ATOM 667 CA LEU A 48 7.148 14.901 -1.188 1.00 0.00 C ATOM 668 C LEU A 48 7.993 16.009 -0.567 1.00 0.00 C ATOM 669 O LEU A 48 7.460 16.945 0.029 1.00 0.00 O ATOM 670 CB LEU A 48 5.741 14.919 -0.584 1.00 0.00 C ATOM 671 CG LEU A 48 5.090 13.545 -0.751 1.00 0.00 C ATOM 672 CD1 LEU A 48 3.643 13.613 -0.264 1.00 0.00 C ATOM 673 CD2 LEU A 48 5.116 13.124 -2.230 1.00 0.00 C ATOM 0 H LEU A 48 7.370 13.012 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 48 7.069 15.079 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.792 15.182 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.135 15.681 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 48 5.643 12.811 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.174 12.636 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.626 13.901 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.096 14.351 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.650 12.144 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.568 13.854 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.148 13.075 -2.576 1.00 0.00 H new ATOM 685 N GLU A 49 9.306 15.910 -0.726 1.00 0.00 N ATOM 686 CA GLU A 49 10.196 16.929 -0.190 1.00 0.00 C ATOM 687 C GLU A 49 9.907 18.259 -0.877 1.00 0.00 C ATOM 688 O GLU A 49 10.094 19.329 -0.298 1.00 0.00 O ATOM 689 CB GLU A 49 11.655 16.534 -0.422 1.00 0.00 C ATOM 690 CG GLU A 49 12.572 17.563 0.243 1.00 0.00 C ATOM 691 CD GLU A 49 14.029 17.130 0.109 1.00 0.00 C ATOM 692 OE1 GLU A 49 14.367 16.568 -0.919 1.00 0.00 O ATOM 693 OE2 GLU A 49 14.784 17.367 1.037 1.00 0.00 O ATOM 0 H GLU A 49 9.773 15.146 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 49 10.027 17.024 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.845 15.542 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.864 16.481 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.431 18.540 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.311 17.668 1.296 1.00 0.00 H new ATOM 700 N ASP A 50 9.445 18.171 -2.121 1.00 0.00 N ATOM 701 CA ASP A 50 9.120 19.357 -2.901 1.00 0.00 C ATOM 702 C ASP A 50 8.160 18.995 -4.032 1.00 0.00 C ATOM 703 O ASP A 50 8.409 19.311 -5.195 1.00 0.00 O ATOM 704 CB ASP A 50 10.397 19.965 -3.487 1.00 0.00 C ATOM 705 CG ASP A 50 11.283 20.499 -2.367 1.00 0.00 C ATOM 706 OD1 ASP A 50 10.807 21.322 -1.602 1.00 0.00 O ATOM 707 OD2 ASP A 50 12.426 20.078 -2.289 1.00 0.00 O ATOM 0 H ASP A 50 9.288 17.289 -2.609 1.00 0.00 H new ATOM 0 HA ASP A 50 8.643 20.086 -2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.937 19.213 -4.062 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.143 20.770 -4.176 1.00 0.00 H new ATOM 712 N LYS A 51 7.063 18.323 -3.680 1.00 0.00 N ATOM 713 CA LYS A 51 6.063 17.910 -4.668 1.00 0.00 C ATOM 714 C LYS A 51 4.660 18.179 -4.148 1.00 0.00 C ATOM 715 O LYS A 51 3.744 17.421 -4.442 1.00 0.00 O ATOM 716 CB LYS A 51 6.189 16.410 -4.959 1.00 0.00 C ATOM 717 CG LYS A 51 7.658 16.034 -5.253 1.00 0.00 C ATOM 718 CD LYS A 51 7.730 14.831 -6.216 1.00 0.00 C ATOM 719 CE LYS A 51 7.254 13.550 -5.512 1.00 0.00 C ATOM 720 NZ LYS A 51 8.393 12.944 -4.766 1.00 0.00 N ATOM 0 H LYS A 51 6.844 18.053 -2.721 1.00 0.00 H new ATOM 0 HA LYS A 51 6.237 18.483 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.825 15.837 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.563 16.146 -5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.177 16.887 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.170 15.792 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.112 15.022 -7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.753 14.701 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.437 13.780 -4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.866 12.842 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.078 12.068 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.165 12.727 -5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.732 13.614 -4.046 1.00 0.00 H new ATOM 734 N SER A 52 4.516 19.242 -3.358 1.00 0.00 N ATOM 735 CA SER A 52 3.226 19.610 -2.767 1.00 0.00 C ATOM 736 C SER A 52 2.064 19.418 -3.765 1.00 0.00 C ATOM 737 O SER A 52 2.286 19.027 -4.905 1.00 0.00 O ATOM 738 CB SER A 52 3.294 21.064 -2.271 1.00 0.00 C ATOM 739 OG SER A 52 2.808 21.126 -0.937 1.00 0.00 O ATOM 0 H SER A 52 5.282 19.869 -3.110 1.00 0.00 H new ATOM 0 HA SER A 52 3.027 18.949 -1.924 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.321 21.428 -2.314 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.700 21.710 -2.918 1.00 0.00 H new ATOM 0 HG SER A 52 2.851 22.051 -0.616 1.00 0.00 H new ATOM 745 N PRO A 53 0.836 19.674 -3.347 1.00 0.00 N ATOM 746 CA PRO A 53 -0.386 19.506 -4.216 1.00 0.00 C ATOM 747 C PRO A 53 -0.320 20.277 -5.542 1.00 0.00 C ATOM 748 O PRO A 53 -1.269 20.966 -5.919 1.00 0.00 O ATOM 749 CB PRO A 53 -1.538 20.026 -3.337 1.00 0.00 C ATOM 750 CG PRO A 53 -1.042 19.898 -1.935 1.00 0.00 C ATOM 751 CD PRO A 53 0.463 20.151 -1.999 1.00 0.00 C ATOM 0 HA PRO A 53 -0.500 18.467 -4.525 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.781 21.061 -3.577 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.446 19.442 -3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.532 20.619 -1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -1.255 18.907 -1.534 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.698 21.207 -1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.995 19.606 -1.219 1.00 0.00 H new ATOM 759 N ASP A 54 0.807 20.165 -6.229 1.00 0.00 N ATOM 760 CA ASP A 54 1.019 20.857 -7.503 1.00 0.00 C ATOM 761 C ASP A 54 0.981 19.860 -8.651 1.00 0.00 C ATOM 762 O ASP A 54 0.095 19.886 -9.504 1.00 0.00 O ATOM 763 CB ASP A 54 2.391 21.532 -7.486 1.00 0.00 C ATOM 764 CG ASP A 54 2.606 22.307 -8.781 1.00 0.00 C ATOM 765 OD1 ASP A 54 1.724 23.068 -9.144 1.00 0.00 O ATOM 766 OD2 ASP A 54 3.646 22.127 -9.393 1.00 0.00 O ATOM 0 H ASP A 54 1.599 19.597 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 54 0.232 21.599 -7.639 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.463 22.206 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.173 20.782 -7.367 1.00 0.00 H new ATOM 771 N SER A 55 1.966 18.971 -8.632 1.00 0.00 N ATOM 772 CA SER A 55 2.101 17.924 -9.632 1.00 0.00 C ATOM 773 C SER A 55 1.065 16.836 -9.333 1.00 0.00 C ATOM 774 O SER A 55 0.350 16.954 -8.340 1.00 0.00 O ATOM 775 CB SER A 55 3.544 17.380 -9.532 1.00 0.00 C ATOM 776 OG SER A 55 4.268 18.181 -8.607 1.00 0.00 O ATOM 0 H SER A 55 2.695 18.957 -7.919 1.00 0.00 H new ATOM 0 HA SER A 55 1.925 18.289 -10.644 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.534 16.340 -9.205 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.025 17.403 -10.510 1.00 0.00 H new ATOM 0 HG SER A 55 5.186 17.846 -8.532 1.00 0.00 H new ATOM 782 N PRO A 56 0.958 15.784 -10.126 1.00 0.00 N ATOM 783 CA PRO A 56 -0.019 14.691 -9.834 1.00 0.00 C ATOM 784 C PRO A 56 0.310 14.011 -8.499 1.00 0.00 C ATOM 785 O PRO A 56 0.184 12.796 -8.355 1.00 0.00 O ATOM 786 CB PRO A 56 0.118 13.724 -11.028 1.00 0.00 C ATOM 787 CG PRO A 56 1.450 14.031 -11.636 1.00 0.00 C ATOM 788 CD PRO A 56 1.713 15.514 -11.370 1.00 0.00 C ATOM 0 HA PRO A 56 -1.042 15.053 -9.728 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.065 12.686 -10.701 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.686 13.872 -11.748 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.231 13.412 -11.194 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.446 13.823 -12.706 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.777 15.716 -11.245 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.364 16.137 -12.194 1.00 0.00 H new ATOM 796 N GLU A 57 0.722 14.816 -7.517 1.00 0.00 N ATOM 797 CA GLU A 57 1.045 14.301 -6.199 1.00 0.00 C ATOM 798 C GLU A 57 -0.207 13.708 -5.589 1.00 0.00 C ATOM 799 O GLU A 57 -0.292 12.509 -5.365 1.00 0.00 O ATOM 800 CB GLU A 57 1.569 15.433 -5.289 1.00 0.00 C ATOM 801 CG GLU A 57 1.562 14.971 -3.816 1.00 0.00 C ATOM 802 CD GLU A 57 2.276 15.982 -2.928 1.00 0.00 C ATOM 803 OE1 GLU A 57 1.618 16.900 -2.464 1.00 0.00 O ATOM 804 OE2 GLU A 57 3.466 15.827 -2.725 1.00 0.00 O ATOM 0 H GLU A 57 0.837 15.825 -7.616 1.00 0.00 H new ATOM 0 HA GLU A 57 1.821 13.541 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.580 15.712 -5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.947 16.321 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.535 14.843 -3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.049 13.999 -3.733 1.00 0.00 H new ATOM 811 N MET A 58 -1.176 14.577 -5.319 1.00 0.00 N ATOM 812 CA MET A 58 -2.439 14.158 -4.724 1.00 0.00 C ATOM 813 C MET A 58 -2.878 12.823 -5.305 1.00 0.00 C ATOM 814 O MET A 58 -3.227 11.895 -4.583 1.00 0.00 O ATOM 815 CB MET A 58 -3.522 15.198 -4.992 1.00 0.00 C ATOM 816 CG MET A 58 -3.066 16.579 -4.498 1.00 0.00 C ATOM 817 SD MET A 58 -4.148 17.854 -5.194 1.00 0.00 S ATOM 818 CE MET A 58 -5.393 17.856 -3.880 1.00 0.00 C ATOM 0 H MET A 58 -1.110 15.578 -5.504 1.00 0.00 H new ATOM 0 HA MET A 58 -2.292 14.056 -3.649 1.00 0.00 H new ATOM 0 HB2 MET A 58 -3.740 15.239 -6.059 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.445 14.910 -4.489 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.096 16.616 -3.409 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.033 16.761 -4.795 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.807 18.859 -3.773 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.191 17.159 -4.134 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.931 17.552 -2.941 1.00 0.00 H new ATOM 828 N LYS A 59 -2.839 12.745 -6.623 1.00 0.00 N ATOM 829 CA LYS A 59 -3.226 11.530 -7.329 1.00 0.00 C ATOM 830 C LYS A 59 -2.464 10.323 -6.788 1.00 0.00 C ATOM 831 O LYS A 59 -3.018 9.502 -6.059 1.00 0.00 O ATOM 832 CB LYS A 59 -2.934 11.700 -8.824 1.00 0.00 C ATOM 833 CG LYS A 59 -3.892 12.749 -9.437 1.00 0.00 C ATOM 834 CD LYS A 59 -5.139 12.052 -10.009 1.00 0.00 C ATOM 835 CE LYS A 59 -4.848 11.527 -11.425 1.00 0.00 C ATOM 836 NZ LYS A 59 -5.729 10.359 -11.709 1.00 0.00 N ATOM 0 H LYS A 59 -2.543 13.509 -7.230 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.292 11.358 -7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.900 12.013 -8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.052 10.745 -9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.186 13.473 -8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.382 13.303 -10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.434 11.227 -9.360 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.975 12.751 -10.036 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.020 12.314 -12.159 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.801 11.236 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.534 10.002 -12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.544 9.607 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.725 10.652 -11.645 1.00 0.00 H new ATOM 850 N ASP A 60 -1.193 10.227 -7.153 1.00 0.00 N ATOM 851 CA ASP A 60 -0.349 9.122 -6.707 1.00 0.00 C ATOM 852 C ASP A 60 -0.357 9.010 -5.187 1.00 0.00 C ATOM 853 O ASP A 60 -0.180 7.933 -4.626 1.00 0.00 O ATOM 854 CB ASP A 60 1.085 9.365 -7.180 1.00 0.00 C ATOM 855 CG ASP A 60 1.896 8.079 -7.082 1.00 0.00 C ATOM 856 OD1 ASP A 60 1.445 7.168 -6.405 1.00 0.00 O ATOM 857 OD2 ASP A 60 2.955 8.022 -7.683 1.00 0.00 O ATOM 0 H ASP A 60 -0.722 10.900 -7.757 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.739 8.195 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.080 9.723 -8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.549 10.143 -6.574 1.00 0.00 H new ATOM 862 N PHE A 61 -0.548 10.142 -4.539 1.00 0.00 N ATOM 863 CA PHE A 61 -0.562 10.207 -3.087 1.00 0.00 C ATOM 864 C PHE A 61 -1.863 9.642 -2.534 1.00 0.00 C ATOM 865 O PHE A 61 -1.864 8.568 -1.933 1.00 0.00 O ATOM 866 CB PHE A 61 -0.378 11.663 -2.673 1.00 0.00 C ATOM 867 CG PHE A 61 -0.117 11.800 -1.200 1.00 0.00 C ATOM 868 CD1 PHE A 61 1.031 11.232 -0.642 1.00 0.00 C ATOM 869 CD2 PHE A 61 -0.997 12.539 -0.399 1.00 0.00 C ATOM 870 CE1 PHE A 61 1.293 11.399 0.715 1.00 0.00 C ATOM 871 CE2 PHE A 61 -0.729 12.708 0.951 1.00 0.00 C ATOM 872 CZ PHE A 61 0.412 12.140 1.507 1.00 0.00 C ATOM 0 H PHE A 61 -0.697 11.040 -4.999 1.00 0.00 H new ATOM 0 HA PHE A 61 0.249 9.604 -2.679 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.453 12.096 -3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.270 12.231 -2.938 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.712 10.666 -1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.884 12.977 -0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.175 10.957 1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.405 13.280 1.569 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.619 12.273 2.559 1.00 0.00 H new ATOM 882 N ARG A 62 -2.981 10.342 -2.739 1.00 0.00 N ATOM 883 CA ARG A 62 -4.248 9.827 -2.239 1.00 0.00 C ATOM 884 C ARG A 62 -4.471 8.422 -2.789 1.00 0.00 C ATOM 885 O ARG A 62 -5.108 7.597 -2.150 1.00 0.00 O ATOM 886 CB ARG A 62 -5.424 10.752 -2.638 1.00 0.00 C ATOM 887 CG ARG A 62 -5.727 11.762 -1.520 1.00 0.00 C ATOM 888 CD ARG A 62 -4.456 12.513 -1.116 1.00 0.00 C ATOM 889 NE ARG A 62 -4.800 13.764 -0.449 1.00 0.00 N ATOM 890 CZ ARG A 62 -5.362 14.768 -1.111 1.00 0.00 C ATOM 891 NH1 ARG A 62 -5.606 14.653 -2.388 1.00 0.00 N ATOM 892 NH2 ARG A 62 -5.669 15.872 -0.485 1.00 0.00 N ATOM 0 H ARG A 62 -3.033 11.235 -3.230 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.208 9.793 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.179 11.283 -3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.311 10.152 -2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.483 12.471 -1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.140 11.243 -0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.854 11.892 -0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.850 12.718 -1.998 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.605 13.869 0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.365 13.791 -2.878 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.038 15.425 -2.896 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.477 15.963 0.513 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.101 16.644 -0.994 1.00 0.00 H new ATOM 906 N HIS A 63 -3.945 8.140 -3.974 1.00 0.00 N ATOM 907 CA HIS A 63 -4.125 6.811 -4.546 1.00 0.00 C ATOM 908 C HIS A 63 -3.146 5.829 -3.931 1.00 0.00 C ATOM 909 O HIS A 63 -3.545 4.791 -3.421 1.00 0.00 O ATOM 910 CB HIS A 63 -3.919 6.843 -6.059 1.00 0.00 C ATOM 911 CG HIS A 63 -4.434 5.568 -6.668 1.00 0.00 C ATOM 912 ND1 HIS A 63 -3.708 4.852 -7.607 1.00 0.00 N ATOM 913 CD2 HIS A 63 -5.601 4.868 -6.484 1.00 0.00 C ATOM 914 CE1 HIS A 63 -4.437 3.774 -7.949 1.00 0.00 C ATOM 915 NE2 HIS A 63 -5.600 3.735 -7.293 1.00 0.00 N ATOM 0 H HIS A 63 -3.406 8.791 -4.544 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.144 6.490 -4.329 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.440 7.699 -6.489 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -2.861 6.966 -6.289 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.788 5.098 -7.972 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.398 5.153 -5.814 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.121 3.031 -8.666 1.00 0.00 H new ATOM 924 N GLY A 64 -1.864 6.159 -3.989 1.00 0.00 N ATOM 925 CA GLY A 64 -0.830 5.287 -3.438 1.00 0.00 C ATOM 926 C GLY A 64 -1.276 4.660 -2.123 1.00 0.00 C ATOM 927 O GLY A 64 -1.049 3.473 -1.889 1.00 0.00 O ATOM 0 H GLY A 64 -1.513 7.020 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.593 4.502 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.084 5.859 -3.279 1.00 0.00 H new ATOM 931 N PHE A 65 -1.922 5.451 -1.265 1.00 0.00 N ATOM 932 CA PHE A 65 -2.390 4.914 0.012 1.00 0.00 C ATOM 933 C PHE A 65 -3.629 4.057 -0.252 1.00 0.00 C ATOM 934 O PHE A 65 -3.840 3.036 0.397 1.00 0.00 O ATOM 935 CB PHE A 65 -2.664 6.060 1.039 1.00 0.00 C ATOM 936 CG PHE A 65 -4.058 5.955 1.629 1.00 0.00 C ATOM 937 CD1 PHE A 65 -5.163 6.267 0.837 1.00 0.00 C ATOM 938 CD2 PHE A 65 -4.243 5.542 2.952 1.00 0.00 C ATOM 939 CE1 PHE A 65 -6.444 6.171 1.351 1.00 0.00 C ATOM 940 CE2 PHE A 65 -5.537 5.445 3.473 1.00 0.00 C ATOM 941 CZ PHE A 65 -6.637 5.761 2.666 1.00 0.00 C ATOM 0 H PHE A 65 -2.128 6.437 -1.424 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.619 4.288 0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.925 6.018 1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.547 7.026 0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.018 6.586 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.390 5.299 3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.294 6.414 0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.688 5.127 4.494 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.638 5.686 3.066 1.00 0.00 H new ATOM 951 N ASP A 66 -4.426 4.469 -1.232 1.00 0.00 N ATOM 952 CA ASP A 66 -5.617 3.719 -1.592 1.00 0.00 C ATOM 953 C ASP A 66 -5.209 2.377 -2.193 1.00 0.00 C ATOM 954 O ASP A 66 -5.926 1.382 -2.077 1.00 0.00 O ATOM 955 CB ASP A 66 -6.448 4.506 -2.608 1.00 0.00 C ATOM 956 CG ASP A 66 -7.843 3.903 -2.716 1.00 0.00 C ATOM 957 OD1 ASP A 66 -7.995 2.936 -3.444 1.00 0.00 O ATOM 958 OD2 ASP A 66 -8.740 4.414 -2.066 1.00 0.00 O ATOM 0 H ASP A 66 -4.268 5.311 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.218 3.552 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.516 5.550 -2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.959 4.489 -3.582 1.00 0.00 H new ATOM 963 N ILE A 67 -4.041 2.366 -2.832 1.00 0.00 N ATOM 964 CA ILE A 67 -3.514 1.157 -3.450 1.00 0.00 C ATOM 965 C ILE A 67 -3.111 0.155 -2.382 1.00 0.00 C ATOM 966 O ILE A 67 -3.627 -0.959 -2.323 1.00 0.00 O ATOM 967 CB ILE A 67 -2.287 1.513 -4.307 1.00 0.00 C ATOM 968 CG1 ILE A 67 -2.749 2.363 -5.494 1.00 0.00 C ATOM 969 CG2 ILE A 67 -1.600 0.234 -4.818 1.00 0.00 C ATOM 970 CD1 ILE A 67 -1.552 2.828 -6.341 1.00 0.00 C ATOM 0 H ILE A 67 -3.442 3.185 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.287 0.714 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.570 2.070 -3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.435 1.785 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.301 3.230 -5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.734 0.503 -5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.277 -0.369 -3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.302 -0.339 -5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.909 3.429 -7.177 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.881 3.426 -5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.017 1.959 -6.723 1.00 0.00 H new ATOM 982 N LEU A 68 -2.168 0.568 -1.554 1.00 0.00 N ATOM 983 CA LEU A 68 -1.655 -0.290 -0.488 1.00 0.00 C ATOM 984 C LEU A 68 -2.793 -0.868 0.365 1.00 0.00 C ATOM 985 O LEU A 68 -2.890 -2.085 0.525 1.00 0.00 O ATOM 986 CB LEU A 68 -0.661 0.506 0.385 1.00 0.00 C ATOM 987 CG LEU A 68 0.787 0.251 -0.100 1.00 0.00 C ATOM 988 CD1 LEU A 68 0.968 0.804 -1.514 1.00 0.00 C ATOM 989 CD2 LEU A 68 1.795 0.928 0.829 1.00 0.00 C ATOM 0 H LEU A 68 -1.738 1.492 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.134 -1.133 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.889 1.571 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.762 0.209 1.429 1.00 0.00 H new ATOM 0 HG LEU A 68 0.962 -0.825 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.989 0.621 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.271 0.309 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.773 1.876 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.806 0.736 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.612 2.003 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.686 0.528 1.837 1.00 0.00 H new ATOM 1001 N VAL A 69 -3.640 -0.005 0.925 1.00 0.00 N ATOM 1002 CA VAL A 69 -4.741 -0.481 1.768 1.00 0.00 C ATOM 1003 C VAL A 69 -5.614 -1.481 1.012 1.00 0.00 C ATOM 1004 O VAL A 69 -6.232 -2.355 1.617 1.00 0.00 O ATOM 1005 CB VAL A 69 -5.610 0.688 2.253 1.00 0.00 C ATOM 1006 CG1 VAL A 69 -4.737 1.770 2.914 1.00 0.00 C ATOM 1007 CG2 VAL A 69 -6.367 1.289 1.068 1.00 0.00 C ATOM 0 H VAL A 69 -3.590 1.008 0.815 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.298 -0.976 2.632 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.321 0.315 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.369 2.591 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.211 1.342 3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.012 2.144 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.984 2.119 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.654 1.650 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.003 0.527 0.618 1.00 0.00 H new ATOM 1017 N GLY A 70 -5.661 -1.348 -0.310 1.00 0.00 N ATOM 1018 CA GLY A 70 -6.465 -2.253 -1.125 1.00 0.00 C ATOM 1019 C GLY A 70 -5.768 -3.598 -1.277 1.00 0.00 C ATOM 1020 O GLY A 70 -6.414 -4.631 -1.464 1.00 0.00 O ATOM 0 H GLY A 70 -5.159 -0.632 -0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.443 -2.394 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.635 -1.812 -2.107 1.00 0.00 H new ATOM 1024 N GLN A 71 -4.443 -3.578 -1.181 1.00 0.00 N ATOM 1025 CA GLN A 71 -3.656 -4.798 -1.298 1.00 0.00 C ATOM 1026 C GLN A 71 -3.506 -5.440 0.067 1.00 0.00 C ATOM 1027 O GLN A 71 -3.769 -6.630 0.243 1.00 0.00 O ATOM 1028 CB GLN A 71 -2.279 -4.472 -1.868 1.00 0.00 C ATOM 1029 CG GLN A 71 -2.443 -3.864 -3.256 1.00 0.00 C ATOM 1030 CD GLN A 71 -1.119 -3.294 -3.741 1.00 0.00 C ATOM 1031 OE1 GLN A 71 -0.785 -3.414 -4.920 1.00 0.00 O ATOM 1032 NE2 GLN A 71 -0.337 -2.681 -2.900 1.00 0.00 N ATOM 0 H GLN A 71 -3.894 -2.733 -1.023 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.165 -5.491 -1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.756 -3.776 -1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.672 -5.375 -1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.798 -4.623 -3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.198 -3.078 -3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.615 -2.582 -1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.554 -2.299 -3.217 1.00 0.00 H new ATOM 1041 N ILE A 72 -3.107 -4.630 1.041 1.00 0.00 N ATOM 1042 CA ILE A 72 -2.948 -5.109 2.411 1.00 0.00 C ATOM 1043 C ILE A 72 -4.134 -6.010 2.765 1.00 0.00 C ATOM 1044 O ILE A 72 -3.972 -7.062 3.386 1.00 0.00 O ATOM 1045 CB ILE A 72 -2.864 -3.895 3.359 1.00 0.00 C ATOM 1046 CG1 ILE A 72 -1.444 -3.286 3.303 1.00 0.00 C ATOM 1047 CG2 ILE A 72 -3.190 -4.307 4.804 1.00 0.00 C ATOM 1048 CD1 ILE A 72 -1.515 -1.791 3.619 1.00 0.00 C ATOM 0 H ILE A 72 -2.888 -3.642 0.910 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.032 -5.691 2.513 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.595 -3.154 3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.793 -3.789 4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.010 -3.439 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.125 -3.435 5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.199 -4.717 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.478 -5.062 5.137 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.513 -1.363 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.151 -1.294 2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.931 -1.649 4.617 1.00 0.00 H new ATOM 1060 N ASP A 73 -5.322 -5.602 2.327 1.00 0.00 N ATOM 1061 CA ASP A 73 -6.520 -6.393 2.566 1.00 0.00 C ATOM 1062 C ASP A 73 -6.499 -7.615 1.654 1.00 0.00 C ATOM 1063 O ASP A 73 -6.674 -8.747 2.105 1.00 0.00 O ATOM 1064 CB ASP A 73 -7.771 -5.557 2.286 1.00 0.00 C ATOM 1065 CG ASP A 73 -9.020 -6.337 2.681 1.00 0.00 C ATOM 1066 OD1 ASP A 73 -9.247 -7.387 2.102 1.00 0.00 O ATOM 1067 OD2 ASP A 73 -9.731 -5.874 3.558 1.00 0.00 O ATOM 0 H ASP A 73 -5.478 -4.737 1.810 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.542 -6.711 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.725 -4.621 2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.815 -5.296 1.229 1.00 0.00 H new ATOM 1072 N ASP A 74 -6.260 -7.372 0.366 1.00 0.00 N ATOM 1073 CA ASP A 74 -6.191 -8.446 -0.609 1.00 0.00 C ATOM 1074 C ASP A 74 -5.270 -9.545 -0.105 1.00 0.00 C ATOM 1075 O ASP A 74 -5.444 -10.720 -0.428 1.00 0.00 O ATOM 1076 CB ASP A 74 -5.656 -7.906 -1.940 1.00 0.00 C ATOM 1077 CG ASP A 74 -5.996 -8.871 -3.073 1.00 0.00 C ATOM 1078 OD1 ASP A 74 -5.777 -10.059 -2.898 1.00 0.00 O ATOM 1079 OD2 ASP A 74 -6.468 -8.408 -4.098 1.00 0.00 O ATOM 0 H ASP A 74 -6.112 -6.440 -0.021 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.191 -8.853 -0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.089 -6.927 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.576 -7.771 -1.879 1.00 0.00 H new ATOM 1084 N ALA A 75 -4.280 -9.145 0.684 1.00 0.00 N ATOM 1085 CA ALA A 75 -3.322 -10.093 1.226 1.00 0.00 C ATOM 1086 C ALA A 75 -3.966 -10.962 2.299 1.00 0.00 C ATOM 1087 O ALA A 75 -3.957 -12.190 2.196 1.00 0.00 O ATOM 1088 CB ALA A 75 -2.127 -9.348 1.819 1.00 0.00 C ATOM 0 H ALA A 75 -4.122 -8.176 0.960 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.983 -10.736 0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.414 -10.067 2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.645 -8.756 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.469 -8.689 2.617 1.00 0.00 H new ATOM 1094 N LEU A 76 -4.520 -10.331 3.333 1.00 0.00 N ATOM 1095 CA LEU A 76 -5.149 -11.098 4.403 1.00 0.00 C ATOM 1096 C LEU A 76 -6.372 -11.841 3.895 1.00 0.00 C ATOM 1097 O LEU A 76 -6.491 -13.039 4.101 1.00 0.00 O ATOM 1098 CB LEU A 76 -5.578 -10.203 5.570 1.00 0.00 C ATOM 1099 CG LEU A 76 -5.940 -11.086 6.796 1.00 0.00 C ATOM 1100 CD1 LEU A 76 -4.697 -11.331 7.653 1.00 0.00 C ATOM 1101 CD2 LEU A 76 -7.000 -10.380 7.653 1.00 0.00 C ATOM 0 H LEU A 76 -4.546 -9.318 3.451 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.400 -11.808 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.773 -9.515 5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.436 -9.596 5.280 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.329 -12.038 6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.962 -11.951 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.939 -11.840 7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.303 -10.377 8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.249 -11.005 8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.609 -9.424 8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.896 -10.209 7.056 1.00 0.00 H new ATOM 1113 N LYS A 77 -7.291 -11.132 3.243 1.00 0.00 N ATOM 1114 CA LYS A 77 -8.502 -11.778 2.737 1.00 0.00 C ATOM 1115 C LYS A 77 -8.136 -13.105 2.070 1.00 0.00 C ATOM 1116 O LYS A 77 -8.889 -14.076 2.135 1.00 0.00 O ATOM 1117 CB LYS A 77 -9.275 -10.807 1.815 1.00 0.00 C ATOM 1118 CG LYS A 77 -8.715 -10.782 0.375 1.00 0.00 C ATOM 1119 CD LYS A 77 -9.112 -12.005 -0.501 1.00 0.00 C ATOM 1120 CE LYS A 77 -10.474 -12.602 -0.112 1.00 0.00 C ATOM 1121 NZ LYS A 77 -11.520 -11.541 -0.176 1.00 0.00 N ATOM 0 H LYS A 77 -7.225 -10.132 3.055 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.179 -12.019 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.325 -11.097 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.233 -9.802 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.059 -9.873 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.628 -10.726 0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.139 -11.702 -1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.345 -12.774 -0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.730 -13.420 -0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.426 -13.020 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.920 -11.390 0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.096 -10.655 -0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.275 -11.837 -0.827 1.00 0.00 H new ATOM 1135 N LEU A 78 -6.947 -13.159 1.479 1.00 0.00 N ATOM 1136 CA LEU A 78 -6.479 -14.390 0.849 1.00 0.00 C ATOM 1137 C LEU A 78 -6.180 -15.441 1.926 1.00 0.00 C ATOM 1138 O LEU A 78 -6.840 -16.477 1.996 1.00 0.00 O ATOM 1139 CB LEU A 78 -5.217 -14.100 0.017 1.00 0.00 C ATOM 1140 CG LEU A 78 -5.069 -15.121 -1.129 1.00 0.00 C ATOM 1141 CD1 LEU A 78 -5.140 -16.545 -0.565 1.00 0.00 C ATOM 1142 CD2 LEU A 78 -6.177 -14.921 -2.190 1.00 0.00 C ATOM 0 H LEU A 78 -6.296 -12.376 1.423 1.00 0.00 H new ATOM 0 HA LEU A 78 -7.254 -14.777 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.270 -13.092 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.337 -14.137 0.659 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.102 -14.966 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.035 -17.264 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.335 -16.692 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.100 -16.693 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.052 -15.652 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.154 -15.054 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.106 -13.915 -2.605 1.00 0.00 H new ATOM 1154 N ALA A 79 -5.188 -15.155 2.768 1.00 0.00 N ATOM 1155 CA ALA A 79 -4.813 -16.071 3.849 1.00 0.00 C ATOM 1156 C ALA A 79 -6.014 -16.363 4.737 1.00 0.00 C ATOM 1157 O ALA A 79 -6.103 -17.423 5.357 1.00 0.00 O ATOM 1158 CB ALA A 79 -3.715 -15.434 4.704 1.00 0.00 C ATOM 0 H ALA A 79 -4.631 -14.302 2.725 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.455 -17.000 3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.437 -16.116 5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.843 -15.230 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.082 -14.501 5.131 1.00 0.00 H new ATOM 1164 N ASN A 80 -6.938 -15.413 4.788 1.00 0.00 N ATOM 1165 CA ASN A 80 -8.136 -15.562 5.593 1.00 0.00 C ATOM 1166 C ASN A 80 -9.078 -16.541 4.911 1.00 0.00 C ATOM 1167 O ASN A 80 -9.932 -17.157 5.550 1.00 0.00 O ATOM 1168 CB ASN A 80 -8.839 -14.213 5.758 1.00 0.00 C ATOM 1169 CG ASN A 80 -9.861 -14.290 6.888 1.00 0.00 C ATOM 1170 OD1 ASN A 80 -10.378 -15.367 7.185 1.00 0.00 O ATOM 1171 ND2 ASN A 80 -10.185 -13.207 7.541 1.00 0.00 N ATOM 0 H ASN A 80 -6.878 -14.531 4.279 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.857 -15.936 6.578 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.106 -13.436 5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.334 -13.936 4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.867 -13.253 8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.756 -12.315 7.294 1.00 0.00 H new ATOM 1178 N GLU A 81 -8.912 -16.664 3.597 1.00 0.00 N ATOM 1179 CA GLU A 81 -9.745 -17.554 2.803 1.00 0.00 C ATOM 1180 C GLU A 81 -9.253 -18.992 2.893 1.00 0.00 C ATOM 1181 O GLU A 81 -10.042 -19.904 3.139 1.00 0.00 O ATOM 1182 CB GLU A 81 -9.742 -17.105 1.341 1.00 0.00 C ATOM 1183 CG GLU A 81 -10.795 -17.896 0.561 1.00 0.00 C ATOM 1184 CD GLU A 81 -10.942 -17.323 -0.844 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -10.326 -16.306 -1.116 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -11.672 -17.909 -1.628 1.00 0.00 O ATOM 0 H GLU A 81 -8.207 -16.157 3.062 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.759 -17.510 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.953 -16.037 1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.756 -17.262 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.507 -18.946 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.752 -17.855 1.081 1.00 0.00 H new ATOM 1193 N GLY A 82 -7.950 -19.210 2.675 1.00 0.00 N ATOM 1194 CA GLY A 82 -7.410 -20.564 2.725 1.00 0.00 C ATOM 1195 C GLY A 82 -5.975 -20.615 3.244 1.00 0.00 C ATOM 1196 O GLY A 82 -5.746 -20.841 4.432 1.00 0.00 O ATOM 0 H GLY A 82 -7.268 -18.481 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.044 -21.179 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.445 -21.000 1.727 1.00 0.00 H new ATOM 1200 N LYS A 83 -5.010 -20.491 2.330 1.00 0.00 N ATOM 1201 CA LYS A 83 -3.586 -20.619 2.695 1.00 0.00 C ATOM 1202 C LYS A 83 -2.810 -19.298 2.682 1.00 0.00 C ATOM 1203 O LYS A 83 -2.996 -18.430 1.820 1.00 0.00 O ATOM 1204 CB LYS A 83 -2.914 -21.621 1.717 1.00 0.00 C ATOM 1205 CG LYS A 83 -2.873 -23.038 2.325 1.00 0.00 C ATOM 1206 CD LYS A 83 -1.641 -23.175 3.226 1.00 0.00 C ATOM 1207 CE LYS A 83 -1.763 -24.437 4.084 1.00 0.00 C ATOM 1208 NZ LYS A 83 -2.446 -25.505 3.301 1.00 0.00 N ATOM 0 H LYS A 83 -5.179 -20.304 1.342 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.556 -20.973 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.463 -21.640 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.901 -21.289 1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.780 -23.224 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.841 -23.784 1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.738 -23.224 2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.547 -22.297 3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.775 -24.775 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.326 -24.220 4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.265 -26.429 3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.470 -25.323 3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.081 -25.509 2.327 1.00 0.00 H new ATOM 1222 N VAL A 84 -1.884 -19.207 3.635 1.00 0.00 N ATOM 1223 CA VAL A 84 -1.007 -18.056 3.752 1.00 0.00 C ATOM 1224 C VAL A 84 0.011 -18.092 2.614 1.00 0.00 C ATOM 1225 O VAL A 84 0.283 -17.079 1.978 1.00 0.00 O ATOM 1226 CB VAL A 84 -0.269 -18.101 5.100 1.00 0.00 C ATOM 1227 CG1 VAL A 84 0.851 -17.058 5.112 1.00 0.00 C ATOM 1228 CG2 VAL A 84 -1.246 -17.809 6.250 1.00 0.00 C ATOM 0 H VAL A 84 -1.725 -19.926 4.340 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.595 -17.140 3.697 1.00 0.00 H new ATOM 0 HB VAL A 84 0.155 -19.096 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.371 -17.094 6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.555 -17.271 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.425 -16.065 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.711 -17.844 7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.682 -16.819 6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.039 -18.557 6.253 1.00 0.00 H new ATOM 1238 N LYS A 85 0.568 -19.277 2.371 1.00 0.00 N ATOM 1239 CA LYS A 85 1.559 -19.454 1.313 1.00 0.00 C ATOM 1240 C LYS A 85 1.082 -18.810 0.017 1.00 0.00 C ATOM 1241 O LYS A 85 1.881 -18.285 -0.759 1.00 0.00 O ATOM 1242 CB LYS A 85 1.825 -20.947 1.084 1.00 0.00 C ATOM 1243 CG LYS A 85 2.092 -21.646 2.430 1.00 0.00 C ATOM 1244 CD LYS A 85 2.926 -22.916 2.207 1.00 0.00 C ATOM 1245 CE LYS A 85 2.187 -23.868 1.263 1.00 0.00 C ATOM 1246 NZ LYS A 85 2.947 -25.144 1.151 1.00 0.00 N ATOM 0 H LYS A 85 0.350 -20.127 2.891 1.00 0.00 H new ATOM 0 HA LYS A 85 2.484 -18.968 1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.969 -21.406 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.681 -21.075 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.619 -20.969 3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.147 -21.901 2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.897 -22.654 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.114 -23.410 3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.182 -24.062 1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.077 -23.410 0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.446 -25.791 0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.897 -24.950 0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.030 -25.582 2.090 1.00 0.00 H new ATOM 1260 N GLU A 86 -0.227 -18.837 -0.200 1.00 0.00 N ATOM 1261 CA GLU A 86 -0.802 -18.232 -1.396 1.00 0.00 C ATOM 1262 C GLU A 86 -0.861 -16.730 -1.202 1.00 0.00 C ATOM 1263 O GLU A 86 -0.773 -15.955 -2.154 1.00 0.00 O ATOM 1264 CB GLU A 86 -2.212 -18.772 -1.648 1.00 0.00 C ATOM 1265 CG GLU A 86 -2.169 -20.297 -1.741 1.00 0.00 C ATOM 1266 CD GLU A 86 -3.497 -20.826 -2.273 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -4.269 -20.029 -2.779 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -3.721 -22.021 -2.166 1.00 0.00 O ATOM 0 H GLU A 86 -0.905 -19.267 0.429 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.180 -18.478 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.879 -18.466 -0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.613 -18.353 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.356 -20.607 -2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.966 -20.724 -0.759 1.00 0.00 H new ATOM 1275 N ALA A 87 -0.991 -16.336 0.057 1.00 0.00 N ATOM 1276 CA ALA A 87 -1.043 -14.924 0.414 1.00 0.00 C ATOM 1277 C ALA A 87 0.369 -14.356 0.494 1.00 0.00 C ATOM 1278 O ALA A 87 0.666 -13.321 -0.103 1.00 0.00 O ATOM 1279 CB ALA A 87 -1.748 -14.749 1.758 1.00 0.00 C ATOM 0 H ALA A 87 -1.063 -16.974 0.849 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.601 -14.387 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.782 -13.691 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.764 -15.138 1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.202 -15.293 2.529 1.00 0.00 H new ATOM 1285 N GLN A 88 1.245 -15.051 1.220 1.00 0.00 N ATOM 1286 CA GLN A 88 2.626 -14.611 1.349 1.00 0.00 C ATOM 1287 C GLN A 88 3.184 -14.336 -0.045 1.00 0.00 C ATOM 1288 O GLN A 88 3.918 -13.368 -0.251 1.00 0.00 O ATOM 1289 CB GLN A 88 3.450 -15.666 2.141 1.00 0.00 C ATOM 1290 CG GLN A 88 4.206 -16.638 1.216 1.00 0.00 C ATOM 1291 CD GLN A 88 5.512 -16.010 0.757 1.00 0.00 C ATOM 1292 OE1 GLN A 88 6.438 -16.709 0.344 1.00 0.00 O ATOM 1293 NE2 GLN A 88 5.630 -14.721 0.809 1.00 0.00 N ATOM 0 H GLN A 88 1.022 -15.911 1.721 1.00 0.00 H new ATOM 0 HA GLN A 88 2.688 -13.684 1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.164 -15.155 2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.782 -16.232 2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.407 -17.571 1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.589 -16.885 0.352 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.857 -14.152 1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.496 -14.276 0.506 1.00 0.00 H new ATOM 1302 N ALA A 89 2.792 -15.165 -1.007 1.00 0.00 N ATOM 1303 CA ALA A 89 3.223 -14.969 -2.379 1.00 0.00 C ATOM 1304 C ALA A 89 2.497 -13.753 -2.926 1.00 0.00 C ATOM 1305 O ALA A 89 3.080 -12.906 -3.620 1.00 0.00 O ATOM 1306 CB ALA A 89 2.892 -16.200 -3.224 1.00 0.00 C ATOM 0 H ALA A 89 2.183 -15.970 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 89 4.302 -14.818 -2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.222 -16.036 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.402 -17.071 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.816 -16.371 -3.212 1.00 0.00 H new ATOM 1312 N ALA A 90 1.217 -13.659 -2.574 1.00 0.00 N ATOM 1313 CA ALA A 90 0.417 -12.528 -3.006 1.00 0.00 C ATOM 1314 C ALA A 90 1.002 -11.247 -2.424 1.00 0.00 C ATOM 1315 O ALA A 90 0.729 -10.156 -2.910 1.00 0.00 O ATOM 1316 CB ALA A 90 -1.034 -12.696 -2.544 1.00 0.00 C ATOM 0 H ALA A 90 0.723 -14.342 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 90 0.430 -12.474 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.623 -11.840 -2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.449 -13.609 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.065 -12.758 -1.456 1.00 0.00 H new ATOM 1322 N ALA A 91 1.808 -11.402 -1.372 1.00 0.00 N ATOM 1323 CA ALA A 91 2.434 -10.260 -0.709 1.00 0.00 C ATOM 1324 C ALA A 91 3.626 -9.737 -1.519 1.00 0.00 C ATOM 1325 O ALA A 91 3.886 -8.529 -1.568 1.00 0.00 O ATOM 1326 CB ALA A 91 2.908 -10.670 0.690 1.00 0.00 C ATOM 0 H ALA A 91 2.041 -12.306 -0.962 1.00 0.00 H new ATOM 0 HA ALA A 91 1.694 -9.464 -0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.374 -9.816 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.055 -11.006 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.633 -11.480 0.606 1.00 0.00 H new ATOM 1332 N GLU A 92 4.352 -10.655 -2.142 1.00 0.00 N ATOM 1333 CA GLU A 92 5.521 -10.280 -2.934 1.00 0.00 C ATOM 1334 C GLU A 92 5.124 -9.421 -4.125 1.00 0.00 C ATOM 1335 O GLU A 92 5.773 -8.415 -4.425 1.00 0.00 O ATOM 1336 CB GLU A 92 6.242 -11.532 -3.425 1.00 0.00 C ATOM 1337 CG GLU A 92 6.389 -12.505 -2.263 1.00 0.00 C ATOM 1338 CD GLU A 92 7.181 -13.733 -2.701 1.00 0.00 C ATOM 1339 OE1 GLU A 92 6.802 -14.335 -3.693 1.00 0.00 O ATOM 1340 OE2 GLU A 92 8.153 -14.053 -2.039 1.00 0.00 O ATOM 0 H GLU A 92 4.157 -11.656 -2.117 1.00 0.00 H new ATOM 0 HA GLU A 92 6.188 -9.699 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.681 -11.996 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.222 -11.270 -3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.894 -12.015 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.405 -12.807 -1.905 1.00 0.00 H new ATOM 1347 N GLN A 93 4.061 -9.809 -4.816 1.00 0.00 N ATOM 1348 CA GLN A 93 3.637 -9.027 -5.968 1.00 0.00 C ATOM 1349 C GLN A 93 3.309 -7.596 -5.540 1.00 0.00 C ATOM 1350 O GLN A 93 3.179 -6.702 -6.376 1.00 0.00 O ATOM 1351 CB GLN A 93 2.423 -9.673 -6.648 1.00 0.00 C ATOM 1352 CG GLN A 93 1.405 -10.105 -5.596 1.00 0.00 C ATOM 1353 CD GLN A 93 0.182 -10.716 -6.273 1.00 0.00 C ATOM 1354 OE1 GLN A 93 0.216 -11.873 -6.693 1.00 0.00 O ATOM 1355 NE2 GLN A 93 -0.904 -10.002 -6.404 1.00 0.00 N ATOM 0 H GLN A 93 3.494 -10.631 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 93 4.455 -9.001 -6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.965 -8.967 -7.341 1.00 0.00 H new ATOM 0 HB3 GLN A 93 2.740 -10.535 -7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.856 -10.830 -4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.107 -9.247 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.930 -9.044 -6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.726 -10.403 -6.855 1.00 0.00 H new ATOM 1364 N LEU A 94 3.197 -7.378 -4.228 1.00 0.00 N ATOM 1365 CA LEU A 94 2.896 -6.039 -3.712 1.00 0.00 C ATOM 1366 C LEU A 94 4.146 -5.189 -3.667 1.00 0.00 C ATOM 1367 O LEU A 94 4.277 -4.237 -4.435 1.00 0.00 O ATOM 1368 CB LEU A 94 2.306 -6.088 -2.301 1.00 0.00 C ATOM 1369 CG LEU A 94 1.162 -7.094 -2.242 1.00 0.00 C ATOM 1370 CD1 LEU A 94 0.501 -7.017 -0.862 1.00 0.00 C ATOM 1371 CD2 LEU A 94 0.131 -6.769 -3.335 1.00 0.00 C ATOM 0 H LEU A 94 3.308 -8.097 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 94 2.163 -5.605 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.080 -6.364 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.946 -5.100 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 94 1.546 -8.101 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.319 -7.734 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.237 -7.252 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.114 -6.011 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.686 -7.490 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.262 -5.765 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.609 -6.822 -4.313 1.00 0.00 H new ATOM 1383 N LYS A 95 5.063 -5.521 -2.753 1.00 0.00 N ATOM 1384 CA LYS A 95 6.298 -4.746 -2.625 1.00 0.00 C ATOM 1385 C LYS A 95 6.822 -4.355 -4.001 1.00 0.00 C ATOM 1386 O LYS A 95 7.454 -3.314 -4.167 1.00 0.00 O ATOM 1387 CB LYS A 95 7.360 -5.540 -1.859 1.00 0.00 C ATOM 1388 CG LYS A 95 7.668 -6.851 -2.580 1.00 0.00 C ATOM 1389 CD LYS A 95 8.775 -7.590 -1.832 1.00 0.00 C ATOM 1390 CE LYS A 95 9.273 -8.760 -2.682 1.00 0.00 C ATOM 1391 NZ LYS A 95 9.947 -8.236 -3.903 1.00 0.00 N ATOM 0 H LYS A 95 4.977 -6.304 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 95 6.076 -3.839 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.270 -4.947 -1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.009 -5.747 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.772 -7.470 -2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.977 -6.651 -3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.598 -6.909 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.401 -7.955 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.966 -9.373 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.437 -9.402 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.642 -8.932 -4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.238 -8.066 -4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.432 -7.344 -3.676 1.00 0.00 H new ATOM 1405 N THR A 96 6.524 -5.181 -4.995 1.00 0.00 N ATOM 1406 CA THR A 96 6.956 -4.885 -6.354 1.00 0.00 C ATOM 1407 C THR A 96 6.090 -3.774 -6.946 1.00 0.00 C ATOM 1408 O THR A 96 6.597 -2.826 -7.546 1.00 0.00 O ATOM 1409 CB THR A 96 6.834 -6.133 -7.223 1.00 0.00 C ATOM 1410 OG1 THR A 96 7.318 -7.258 -6.503 1.00 0.00 O ATOM 1411 CG2 THR A 96 7.648 -5.952 -8.506 1.00 0.00 C ATOM 0 H THR A 96 5.994 -6.046 -4.890 1.00 0.00 H new ATOM 0 HA THR A 96 7.996 -4.561 -6.328 1.00 0.00 H new ATOM 0 HB THR A 96 5.788 -6.292 -7.484 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.622 -7.580 -5.893 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.558 -6.846 -9.123 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.271 -5.091 -9.057 1.00 0.00 H new ATOM 0 HG23 THR A 96 8.696 -5.790 -8.252 1.00 0.00 H new ATOM 1419 N THR A 97 4.780 -3.913 -6.774 1.00 0.00 N ATOM 1420 CA THR A 97 3.837 -2.931 -7.294 1.00 0.00 C ATOM 1421 C THR A 97 4.088 -1.557 -6.685 1.00 0.00 C ATOM 1422 O THR A 97 4.098 -0.544 -7.394 1.00 0.00 O ATOM 1423 CB THR A 97 2.405 -3.370 -6.986 1.00 0.00 C ATOM 1424 OG1 THR A 97 2.190 -4.677 -7.500 1.00 0.00 O ATOM 1425 CG2 THR A 97 1.421 -2.395 -7.634 1.00 0.00 C ATOM 0 H THR A 97 4.348 -4.694 -6.280 1.00 0.00 H new ATOM 0 HA THR A 97 3.977 -2.864 -8.373 1.00 0.00 H new ATOM 0 HB THR A 97 2.250 -3.375 -5.907 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.453 -5.340 -6.828 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.400 -2.708 -7.414 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.587 -1.393 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.574 -2.387 -8.713 1.00 0.00 H new ATOM 1433 N ILE A 98 4.292 -1.511 -5.370 1.00 0.00 N ATOM 1434 CA ILE A 98 4.534 -0.232 -4.728 1.00 0.00 C ATOM 1435 C ILE A 98 5.832 0.351 -5.253 1.00 0.00 C ATOM 1436 O ILE A 98 6.013 1.569 -5.264 1.00 0.00 O ATOM 1437 CB ILE A 98 4.562 -0.367 -3.184 1.00 0.00 C ATOM 1438 CG1 ILE A 98 5.986 -0.660 -2.668 1.00 0.00 C ATOM 1439 CG2 ILE A 98 3.628 -1.505 -2.756 1.00 0.00 C ATOM 1440 CD1 ILE A 98 5.942 -0.915 -1.159 1.00 0.00 C ATOM 0 H ILE A 98 4.294 -2.320 -4.749 1.00 0.00 H new ATOM 0 HA ILE A 98 3.714 0.445 -4.969 1.00 0.00 H new ATOM 0 HB ILE A 98 4.231 0.579 -2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.399 -1.528 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.643 0.182 -2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.646 -1.602 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 98 2.612 -1.285 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 98 3.961 -2.439 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.949 -1.122 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.547 -0.034 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.299 -1.771 -0.953 1.00 0.00 H new ATOM 1452 N ARG A 99 6.744 -0.518 -5.690 1.00 0.00 N ATOM 1453 CA ARG A 99 8.011 -0.018 -6.204 1.00 0.00 C ATOM 1454 C ARG A 99 7.756 0.732 -7.497 1.00 0.00 C ATOM 1455 O ARG A 99 8.506 1.633 -7.856 1.00 0.00 O ATOM 1456 CB ARG A 99 9.051 -1.154 -6.407 1.00 0.00 C ATOM 1457 CG ARG A 99 10.069 -1.170 -5.246 1.00 0.00 C ATOM 1458 CD ARG A 99 10.818 0.181 -5.150 1.00 0.00 C ATOM 1459 NE ARG A 99 12.229 -0.046 -4.856 1.00 0.00 N ATOM 1460 CZ ARG A 99 12.637 -0.346 -3.626 1.00 0.00 C ATOM 1461 NH1 ARG A 99 11.772 -0.436 -2.654 1.00 0.00 N ATOM 1462 NH2 ARG A 99 13.905 -0.548 -3.392 1.00 0.00 N ATOM 0 H ARG A 99 6.634 -1.532 -5.698 1.00 0.00 H new ATOM 0 HA ARG A 99 8.442 0.660 -5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.541 -2.116 -6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.572 -1.013 -7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 99 9.553 -1.372 -4.307 1.00 0.00 H new ATOM 0 HG3 ARG A 99 10.785 -1.978 -5.396 1.00 0.00 H new ATOM 0 HD2 ARG A 99 10.718 0.728 -6.087 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.371 0.798 -4.371 1.00 0.00 H new ATOM 0 HE ARG A 99 12.915 0.027 -5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.781 -0.276 -2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.086 -0.666 -1.711 1.00 0.00 H new ATOM 0 HH21 ARG A 99 14.582 -0.476 -4.152 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.219 -0.778 -2.449 1.00 0.00 H new ATOM 1476 N ALA A 100 6.670 0.391 -8.171 1.00 0.00 N ATOM 1477 CA ALA A 100 6.325 1.095 -9.387 1.00 0.00 C ATOM 1478 C ALA A 100 5.921 2.506 -9.003 1.00 0.00 C ATOM 1479 O ALA A 100 6.289 3.473 -9.665 1.00 0.00 O ATOM 1480 CB ALA A 100 5.171 0.392 -10.107 1.00 0.00 C ATOM 0 H ALA A 100 6.027 -0.353 -7.902 1.00 0.00 H new ATOM 0 HA ALA A 100 7.177 1.112 -10.067 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.926 0.936 -11.019 1.00 0.00 H new ATOM 0 HB2 ALA A 100 5.466 -0.626 -10.360 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.298 0.365 -9.455 1.00 0.00 H new ATOM 1486 N TYR A 101 5.192 2.611 -7.894 1.00 0.00 N ATOM 1487 CA TYR A 101 4.763 3.912 -7.395 1.00 0.00 C ATOM 1488 C TYR A 101 5.960 4.625 -6.745 1.00 0.00 C ATOM 1489 O TYR A 101 6.268 5.780 -7.062 1.00 0.00 O ATOM 1490 CB TYR A 101 3.585 3.712 -6.396 1.00 0.00 C ATOM 1491 CG TYR A 101 3.794 4.507 -5.121 1.00 0.00 C ATOM 1492 CD1 TYR A 101 3.807 5.904 -5.171 1.00 0.00 C ATOM 1493 CD2 TYR A 101 3.988 3.848 -3.900 1.00 0.00 C ATOM 1494 CE1 TYR A 101 4.012 6.645 -4.001 1.00 0.00 C ATOM 1495 CE2 TYR A 101 4.191 4.588 -2.730 1.00 0.00 C ATOM 1496 CZ TYR A 101 4.205 5.986 -2.780 1.00 0.00 C ATOM 1497 OH TYR A 101 4.409 6.716 -1.627 1.00 0.00 O ATOM 0 H TYR A 101 4.889 1.817 -7.329 1.00 0.00 H new ATOM 0 HA TYR A 101 4.406 4.541 -8.210 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.651 4.018 -6.868 1.00 0.00 H new ATOM 0 HB3 TYR A 101 3.488 2.654 -6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.659 6.412 -6.113 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.981 2.769 -3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 101 4.021 7.724 -4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 101 4.337 4.080 -1.788 1.00 0.00 H new ATOM 0 HH TYR A 101 4.524 6.105 -0.869 1.00 0.00 H new ATOM 1507 N ASN A 102 6.625 3.920 -5.836 1.00 0.00 N ATOM 1508 CA ASN A 102 7.779 4.473 -5.137 1.00 0.00 C ATOM 1509 C ASN A 102 8.852 4.911 -6.127 1.00 0.00 C ATOM 1510 O ASN A 102 9.460 5.968 -5.971 1.00 0.00 O ATOM 1511 CB ASN A 102 8.362 3.420 -4.176 1.00 0.00 C ATOM 1512 CG ASN A 102 9.149 4.101 -3.067 1.00 0.00 C ATOM 1513 OD1 ASN A 102 9.011 3.751 -1.895 1.00 0.00 O ATOM 1514 ND2 ASN A 102 9.970 5.058 -3.373 1.00 0.00 N ATOM 0 H ASN A 102 6.385 2.966 -5.566 1.00 0.00 H new ATOM 0 HA ASN A 102 7.452 5.344 -4.570 1.00 0.00 H new ATOM 0 HB2 ASN A 102 7.557 2.823 -3.747 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.009 2.735 -4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.505 5.525 -2.641 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.080 5.344 -4.346 1.00 0.00 H new ATOM 1521 N GLN A 103 9.083 4.086 -7.140 1.00 0.00 N ATOM 1522 CA GLN A 103 10.095 4.388 -8.144 1.00 0.00 C ATOM 1523 C GLN A 103 9.569 5.392 -9.152 1.00 0.00 C ATOM 1524 O GLN A 103 10.315 6.247 -9.628 1.00 0.00 O ATOM 1525 CB GLN A 103 10.491 3.115 -8.883 1.00 0.00 C ATOM 1526 CG GLN A 103 11.720 3.370 -9.774 1.00 0.00 C ATOM 1527 CD GLN A 103 12.431 2.054 -10.082 1.00 0.00 C ATOM 1528 OE1 GLN A 103 13.660 1.986 -10.036 1.00 0.00 O ATOM 1529 NE2 GLN A 103 11.731 0.996 -10.393 1.00 0.00 N ATOM 0 H GLN A 103 8.587 3.207 -7.288 1.00 0.00 H new ATOM 0 HA GLN A 103 10.961 4.810 -7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 103 10.712 2.325 -8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 103 9.658 2.767 -9.493 1.00 0.00 H new ATOM 0 HG2 GLN A 103 11.412 3.851 -10.702 1.00 0.00 H new ATOM 0 HG3 GLN A 103 12.406 4.054 -9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.713 1.051 -10.431 1.00 0.00 H new ATOM 0 HE22 GLN A 103 12.202 0.115 -10.597 1.00 0.00 H new ATOM 1538 N LYS A 104 8.279 5.284 -9.481 1.00 0.00 N ATOM 1539 CA LYS A 104 7.676 6.205 -10.448 1.00 0.00 C ATOM 1540 C LYS A 104 8.171 7.614 -10.162 1.00 0.00 C ATOM 1541 O LYS A 104 8.628 8.324 -11.058 1.00 0.00 O ATOM 1542 CB LYS A 104 6.132 6.149 -10.366 1.00 0.00 C ATOM 1543 CG LYS A 104 5.502 7.464 -10.882 1.00 0.00 C ATOM 1544 CD LYS A 104 4.073 7.207 -11.370 1.00 0.00 C ATOM 1545 CE LYS A 104 3.426 8.535 -11.769 1.00 0.00 C ATOM 1546 NZ LYS A 104 4.199 9.146 -12.887 1.00 0.00 N ATOM 0 H LYS A 104 7.643 4.583 -9.101 1.00 0.00 H new ATOM 0 HA LYS A 104 7.968 5.912 -11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.763 5.309 -10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.825 5.975 -9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.494 8.209 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.104 7.871 -11.694 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.084 6.525 -12.220 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.489 6.727 -10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.392 8.372 -12.074 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.403 9.212 -10.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.622 9.878 -13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.069 9.575 -12.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.446 8.411 -13.581 1.00 0.00 H new ATOM 1560 N TYR A 105 8.070 8.004 -8.897 1.00 0.00 N ATOM 1561 CA TYR A 105 8.505 9.339 -8.477 1.00 0.00 C ATOM 1562 C TYR A 105 9.861 9.253 -7.781 1.00 0.00 C ATOM 1563 O TYR A 105 10.617 10.224 -7.748 1.00 0.00 O ATOM 1564 CB TYR A 105 7.451 9.954 -7.524 1.00 0.00 C ATOM 1565 CG TYR A 105 6.660 11.029 -8.252 1.00 0.00 C ATOM 1566 CD1 TYR A 105 7.311 12.178 -8.717 1.00 0.00 C ATOM 1567 CD2 TYR A 105 5.289 10.863 -8.482 1.00 0.00 C ATOM 1568 CE1 TYR A 105 6.590 13.162 -9.405 1.00 0.00 C ATOM 1569 CE2 TYR A 105 4.571 11.842 -9.171 1.00 0.00 C ATOM 1570 CZ TYR A 105 5.219 12.993 -9.633 1.00 0.00 C ATOM 1571 OH TYR A 105 4.509 13.958 -10.317 1.00 0.00 O ATOM 0 H TYR A 105 7.695 7.424 -8.147 1.00 0.00 H new ATOM 0 HA TYR A 105 8.605 9.977 -9.355 1.00 0.00 H new ATOM 0 HB2 TYR A 105 6.778 9.177 -7.162 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.943 10.381 -6.650 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.370 12.306 -8.545 1.00 0.00 H new ATOM 0 HD2 TYR A 105 4.786 9.976 -8.126 1.00 0.00 H new ATOM 0 HE1 TYR A 105 7.091 14.051 -9.759 1.00 0.00 H new ATOM 0 HE2 TYR A 105 3.514 11.711 -9.348 1.00 0.00 H new ATOM 0 HH TYR A 105 5.100 14.408 -10.956 1.00 0.00 H new ATOM 1581 N GLY A 106 10.157 8.086 -7.222 1.00 0.00 N ATOM 1582 CA GLY A 106 11.418 7.886 -6.522 1.00 0.00 C ATOM 1583 C GLY A 106 12.580 8.500 -7.298 1.00 0.00 C ATOM 1584 O GLY A 106 12.920 7.965 -8.340 1.00 0.00 O ATOM 1585 OXT GLY A 106 13.112 9.497 -6.838 1.00 0.00 O ATOM 0 H GLY A 106 9.546 7.270 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.362 8.334 -5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.594 6.820 -6.381 1.00 0.00 H new