USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 367 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 30 LYS NZ :NH3+ -124:sc= -0.399 (180deg=-1.64) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0586 K(o=-0.059,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 57 HIS : no HD1:sc= -0.365 K(o=-0.37,f=-1.3) USER MOD Single : A 59 SER OG : rot 91:sc= 0.383 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.449 F(o=-4.1!,f=-0.45) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -110:sc= -0.0335 (180deg=-2.54!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0118) USER MOD Single : A 90 ASN : amide:sc= -0.0675 K(o=-0.067,f=-0.76) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.535 X(o=-0.54,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -6.211 31.807 17.640 1.00 23.05 N ATOM 281 CA LYS A 23 -7.355 31.064 17.126 1.00 24.24 C ATOM 282 C LYS A 23 -7.203 30.797 15.632 1.00 12.35 C ATOM 283 O LYS A 23 -6.965 29.663 15.217 1.00 61.05 O ATOM 284 CB LYS A 23 -8.650 31.837 17.388 1.00 24.12 C ATOM 285 CG LYS A 23 -8.517 33.336 17.178 1.00 71.12 C ATOM 286 CD LYS A 23 -8.934 34.111 18.416 1.00 33.24 C ATOM 287 CE LYS A 23 -7.941 33.921 19.553 1.00 23.15 C ATOM 288 NZ LYS A 23 -6.864 34.950 19.527 1.00 5.12 N ATOM 0 HA LYS A 23 -7.399 30.107 17.646 1.00 24.24 H new ATOM 0 HB2 LYS A 23 -9.431 31.454 16.731 1.00 24.12 H new ATOM 0 HB3 LYS A 23 -8.975 31.649 18.412 1.00 24.12 H new ATOM 0 HG2 LYS A 23 -7.485 33.579 16.926 1.00 71.12 H new ATOM 0 HG3 LYS A 23 -9.132 33.642 16.332 1.00 71.12 H new ATOM 0 HD2 LYS A 23 -9.013 35.171 18.174 1.00 33.24 H new ATOM 0 HD3 LYS A 23 -9.923 33.783 18.736 1.00 33.24 H new ATOM 0 HE2 LYS A 23 -8.467 33.970 20.506 1.00 23.15 H new ATOM 0 HE3 LYS A 23 -7.496 32.928 19.485 1.00 23.15 H new ATOM 0 HZ1 LYS A 23 -6.208 34.786 20.317 1.00 5.12 H new ATOM 0 HZ2 LYS A 23 -6.345 34.887 18.628 1.00 5.12 H new ATOM 0 HZ3 LYS A 23 -7.286 35.896 19.618 1.00 5.12 H new ATOM 298 N SER A 24 -7.341 31.848 14.830 1.00 3.04 N ATOM 299 CA SER A 24 -7.221 31.726 13.383 1.00 61.04 C ATOM 300 C SER A 24 -6.074 30.792 13.009 1.00 74.11 C ATOM 301 O SER A 24 -6.116 30.119 11.979 1.00 62.43 O ATOM 302 CB SER A 24 -7.002 33.101 12.749 1.00 32.21 C ATOM 303 OG SER A 24 -8.050 33.422 11.851 1.00 22.43 O ATOM 0 H SER A 24 -7.536 32.794 15.159 1.00 3.04 H new ATOM 0 HA SER A 24 -8.150 31.303 13.002 1.00 61.04 H new ATOM 0 HB2 SER A 24 -6.943 33.859 13.530 1.00 32.21 H new ATOM 0 HB3 SER A 24 -6.049 33.113 12.220 1.00 32.21 H new ATOM 0 HG SER A 24 -7.887 34.306 11.461 1.00 22.43 H new ATOM 308 N TYR A 25 -5.049 30.758 13.853 1.00 54.24 N ATOM 309 CA TYR A 25 -3.888 29.910 13.612 1.00 74.55 C ATOM 310 C TYR A 25 -4.120 28.502 14.153 1.00 13.25 C ATOM 311 O TYR A 25 -4.033 27.520 13.418 1.00 21.41 O ATOM 312 CB TYR A 25 -2.643 30.518 14.259 1.00 62.21 C ATOM 313 CG TYR A 25 -2.287 31.886 13.720 1.00 35.10 C ATOM 314 CD1 TYR A 25 -3.159 32.958 13.862 1.00 42.00 C ATOM 315 CD2 TYR A 25 -1.079 32.104 13.071 1.00 5.25 C ATOM 316 CE1 TYR A 25 -2.839 34.208 13.370 1.00 3.24 C ATOM 317 CE2 TYR A 25 -0.749 33.352 12.577 1.00 4.44 C ATOM 318 CZ TYR A 25 -1.633 34.401 12.729 1.00 63.21 C ATOM 319 OH TYR A 25 -1.309 35.646 12.239 1.00 70.24 O ATOM 0 H TYR A 25 -4.999 31.308 14.710 1.00 54.24 H new ATOM 0 HA TYR A 25 -3.735 29.845 12.535 1.00 74.55 H new ATOM 0 HB2 TYR A 25 -2.802 30.591 15.335 1.00 62.21 H new ATOM 0 HB3 TYR A 25 -1.799 29.845 14.106 1.00 62.21 H new ATOM 0 HD1 TYR A 25 -4.103 32.811 14.366 1.00 42.00 H new ATOM 0 HD2 TYR A 25 -0.386 31.285 12.950 1.00 5.25 H new ATOM 0 HE1 TYR A 25 -3.529 35.030 13.487 1.00 3.24 H new ATOM 0 HE2 TYR A 25 0.195 33.505 12.075 1.00 4.44 H new ATOM 0 HH TYR A 25 -0.425 35.612 11.817 1.00 70.24 H new ATOM 328 N ALA A 26 -4.417 28.413 15.446 1.00 1.05 N ATOM 329 CA ALA A 26 -4.664 27.129 16.087 1.00 72.53 C ATOM 330 C ALA A 26 -5.992 26.534 15.632 1.00 65.52 C ATOM 331 O ALA A 26 -6.058 25.372 15.231 1.00 32.24 O ATOM 332 CB ALA A 26 -4.644 27.281 17.600 1.00 34.45 C ATOM 0 H ALA A 26 -4.492 29.217 16.070 1.00 1.05 H new ATOM 0 HA ALA A 26 -3.868 26.445 15.791 1.00 72.53 H new ATOM 0 HB1 ALA A 26 -4.830 26.313 18.065 1.00 34.45 H new ATOM 0 HB2 ALA A 26 -3.670 27.654 17.915 1.00 34.45 H new ATOM 0 HB3 ALA A 26 -5.418 27.985 17.905 1.00 34.45 H new ATOM 338 N GLU A 27 -7.048 27.339 15.695 1.00 70.41 N ATOM 339 CA GLU A 27 -8.375 26.890 15.289 1.00 1.13 C ATOM 340 C GLU A 27 -8.326 26.210 13.924 1.00 4.53 C ATOM 341 O GLU A 27 -8.729 25.057 13.780 1.00 41.34 O ATOM 342 CB GLU A 27 -9.347 28.071 15.249 1.00 70.22 C ATOM 343 CG GLU A 27 -10.791 27.663 15.015 1.00 14.40 C ATOM 344 CD GLU A 27 -11.663 27.877 16.238 1.00 64.31 C ATOM 345 OE1 GLU A 27 -11.323 27.336 17.310 1.00 31.11 O ATOM 346 OE2 GLU A 27 -12.685 28.586 16.122 1.00 34.53 O ATOM 0 H GLU A 27 -7.011 28.304 16.023 1.00 70.41 H new ATOM 0 HA GLU A 27 -8.726 26.165 16.024 1.00 1.13 H new ATOM 0 HB2 GLU A 27 -9.281 28.617 16.190 1.00 70.22 H new ATOM 0 HB3 GLU A 27 -9.040 28.757 14.460 1.00 70.22 H new ATOM 0 HG2 GLU A 27 -11.196 28.235 14.180 1.00 14.40 H new ATOM 0 HG3 GLU A 27 -10.826 26.612 14.728 1.00 14.40 H new ATOM 351 N GLN A 28 -7.830 26.935 12.927 1.00 21.33 N ATOM 352 CA GLN A 28 -7.729 26.402 11.573 1.00 10.33 C ATOM 353 C GLN A 28 -7.161 24.987 11.585 1.00 14.21 C ATOM 354 O GLN A 28 -7.614 24.119 10.840 1.00 25.23 O ATOM 355 CB GLN A 28 -6.851 27.309 10.709 1.00 1.31 C ATOM 356 CG GLN A 28 -7.636 28.146 9.711 1.00 72.52 C ATOM 357 CD GLN A 28 -6.820 28.511 8.487 1.00 75.53 C ATOM 358 OE1 GLN A 28 -5.627 28.803 8.586 1.00 60.24 O ATOM 359 NE2 GLN A 28 -7.459 28.497 7.323 1.00 13.00 N ATOM 0 H GLN A 28 -7.492 27.892 13.031 1.00 21.33 H new ATOM 0 HA GLN A 28 -8.732 26.367 11.148 1.00 10.33 H new ATOM 0 HB2 GLN A 28 -6.280 27.973 11.358 1.00 1.31 H new ATOM 0 HB3 GLN A 28 -6.131 26.695 10.168 1.00 1.31 H new ATOM 0 HG2 GLN A 28 -8.524 27.596 9.400 1.00 72.52 H new ATOM 0 HG3 GLN A 28 -7.980 29.058 10.199 1.00 72.52 H new ATOM 0 HE21 GLN A 28 -8.448 28.249 7.287 1.00 13.00 H new ATOM 0 HE22 GLN A 28 -6.961 28.734 6.465 1.00 13.00 H new ATOM 366 N GLY A 29 -6.166 24.761 12.437 1.00 33.34 N ATOM 367 CA GLY A 29 -5.551 23.449 12.530 1.00 10.40 C ATOM 368 C GLY A 29 -6.396 22.468 13.319 1.00 13.45 C ATOM 369 O GLY A 29 -6.392 21.269 13.040 1.00 42.31 O ATOM 0 H GLY A 29 -5.774 25.463 13.065 1.00 33.34 H new ATOM 0 HA2 GLY A 29 -5.386 23.057 11.527 1.00 10.40 H new ATOM 0 HA3 GLY A 29 -4.573 23.542 13.001 1.00 10.40 H new ATOM 372 N LYS A 30 -7.122 22.978 14.309 1.00 70.13 N ATOM 373 CA LYS A 30 -7.975 22.140 15.142 1.00 54.34 C ATOM 374 C LYS A 30 -9.207 21.679 14.369 1.00 35.51 C ATOM 375 O LYS A 30 -9.587 20.509 14.431 1.00 5.51 O ATOM 376 CB LYS A 30 -8.405 22.902 16.398 1.00 74.11 C ATOM 377 CG LYS A 30 -9.780 23.535 16.285 1.00 73.12 C ATOM 378 CD LYS A 30 -10.109 24.377 17.507 1.00 70.32 C ATOM 379 CE LYS A 30 -10.136 23.535 18.773 1.00 71.55 C ATOM 380 NZ LYS A 30 -8.799 23.472 19.426 1.00 42.31 N ATOM 0 H LYS A 30 -7.136 23.968 14.553 1.00 70.13 H new ATOM 0 HA LYS A 30 -7.401 21.261 15.436 1.00 54.34 H new ATOM 0 HB2 LYS A 30 -8.398 22.219 17.247 1.00 74.11 H new ATOM 0 HB3 LYS A 30 -7.672 23.681 16.609 1.00 74.11 H new ATOM 0 HG2 LYS A 30 -9.823 24.157 15.391 1.00 73.12 H new ATOM 0 HG3 LYS A 30 -10.532 22.755 16.166 1.00 73.12 H new ATOM 0 HD2 LYS A 30 -9.370 25.171 17.613 1.00 70.32 H new ATOM 0 HD3 LYS A 30 -11.077 24.859 17.368 1.00 70.32 H new ATOM 0 HE2 LYS A 30 -10.862 23.952 19.471 1.00 71.55 H new ATOM 0 HE3 LYS A 30 -10.470 22.526 18.531 1.00 71.55 H new ATOM 0 HZ1 LYS A 30 -8.514 22.478 19.537 1.00 42.31 H new ATOM 0 HZ2 LYS A 30 -8.101 23.969 18.836 1.00 42.31 H new ATOM 0 HZ3 LYS A 30 -8.848 23.925 20.361 1.00 42.31 H new ATOM 390 N GLU A 31 -9.823 22.604 13.641 1.00 72.35 N ATOM 391 CA GLU A 31 -11.011 22.290 12.855 1.00 1.41 C ATOM 392 C GLU A 31 -10.774 21.066 11.975 1.00 43.51 C ATOM 393 O GLU A 31 -11.712 20.352 11.621 1.00 61.54 O ATOM 394 CB GLU A 31 -11.407 23.487 11.987 1.00 21.50 C ATOM 395 CG GLU A 31 -11.797 24.718 12.789 1.00 30.44 C ATOM 396 CD GLU A 31 -12.765 25.616 12.044 1.00 71.12 C ATOM 397 OE1 GLU A 31 -12.560 25.831 10.831 1.00 52.34 O ATOM 398 OE2 GLU A 31 -13.726 26.104 12.675 1.00 63.30 O ATOM 0 H GLU A 31 -9.520 23.576 13.579 1.00 72.35 H new ATOM 0 HA GLU A 31 -11.824 22.067 13.546 1.00 1.41 H new ATOM 0 HB2 GLU A 31 -10.575 23.740 11.330 1.00 21.50 H new ATOM 0 HB3 GLU A 31 -12.242 23.201 11.347 1.00 21.50 H new ATOM 0 HG2 GLU A 31 -12.248 24.406 13.731 1.00 30.44 H new ATOM 0 HG3 GLU A 31 -10.900 25.284 13.038 1.00 30.44 H new ATOM 403 N TYR A 32 -9.515 20.831 11.626 1.00 25.32 N ATOM 404 CA TYR A 32 -9.153 19.696 10.785 1.00 62.05 C ATOM 405 C TYR A 32 -9.149 18.401 11.591 1.00 54.11 C ATOM 406 O TYR A 32 -9.521 17.341 11.085 1.00 33.33 O ATOM 407 CB TYR A 32 -7.779 19.920 10.152 1.00 1.30 C ATOM 408 CG TYR A 32 -7.071 18.640 9.770 1.00 41.34 C ATOM 409 CD1 TYR A 32 -6.509 17.819 10.739 1.00 62.22 C ATOM 410 CD2 TYR A 32 -6.965 18.251 8.440 1.00 54.43 C ATOM 411 CE1 TYR A 32 -5.861 16.648 10.395 1.00 71.42 C ATOM 412 CE2 TYR A 32 -6.322 17.081 8.087 1.00 22.42 C ATOM 413 CZ TYR A 32 -5.771 16.284 9.068 1.00 73.42 C ATOM 414 OH TYR A 32 -5.127 15.118 8.720 1.00 63.20 O ATOM 0 H TYR A 32 -8.727 21.412 11.912 1.00 25.32 H new ATOM 0 HA TYR A 32 -9.899 19.609 9.995 1.00 62.05 H new ATOM 0 HB2 TYR A 32 -7.895 20.540 9.263 1.00 1.30 H new ATOM 0 HB3 TYR A 32 -7.153 20.477 10.850 1.00 1.30 H new ATOM 0 HD1 TYR A 32 -6.580 18.101 11.779 1.00 62.22 H new ATOM 0 HD2 TYR A 32 -7.393 18.875 7.669 1.00 54.43 H new ATOM 0 HE1 TYR A 32 -5.428 16.022 11.161 1.00 71.42 H new ATOM 0 HE2 TYR A 32 -6.251 16.792 7.049 1.00 22.42 H new ATOM 0 HH TYR A 32 -5.153 15.008 7.747 1.00 63.20 H new ATOM 423 N ILE A 33 -8.726 18.496 12.847 1.00 75.53 N ATOM 424 CA ILE A 33 -8.675 17.332 13.725 1.00 23.44 C ATOM 425 C ILE A 33 -9.983 17.162 14.490 1.00 31.31 C ATOM 426 O ILE A 33 -10.640 16.125 14.397 1.00 53.14 O ATOM 427 CB ILE A 33 -7.514 17.437 14.731 1.00 33.20 C ATOM 428 CG1 ILE A 33 -7.919 16.828 16.075 1.00 50.33 C ATOM 429 CG2 ILE A 33 -7.095 18.889 14.907 1.00 44.20 C ATOM 430 CD1 ILE A 33 -6.815 16.855 17.108 1.00 42.10 C ATOM 0 H ILE A 33 -8.414 19.365 13.280 1.00 75.53 H new ATOM 0 HA ILE A 33 -8.515 16.462 13.087 1.00 23.44 H new ATOM 0 HB ILE A 33 -6.663 16.878 14.341 1.00 33.20 H new ATOM 0 HG12 ILE A 33 -8.782 17.368 16.464 1.00 50.33 H new ATOM 0 HG13 ILE A 33 -8.233 15.796 15.917 1.00 50.33 H new ATOM 0 HG21 ILE A 33 -6.273 18.947 15.621 1.00 44.20 H new ATOM 0 HG22 ILE A 33 -6.771 19.293 13.948 1.00 44.20 H new ATOM 0 HG23 ILE A 33 -7.940 19.469 15.278 1.00 44.20 H new ATOM 0 HD11 ILE A 33 -7.173 16.407 18.035 1.00 42.10 H new ATOM 0 HD12 ILE A 33 -5.958 16.291 16.740 1.00 42.10 H new ATOM 0 HD13 ILE A 33 -6.517 17.887 17.295 1.00 42.10 H new ATOM 441 N THR A 34 -10.358 18.189 15.246 1.00 25.25 N ATOM 442 CA THR A 34 -11.588 18.155 16.027 1.00 44.21 C ATOM 443 C THR A 34 -12.710 17.471 15.255 1.00 41.42 C ATOM 444 O THR A 34 -13.443 16.650 15.805 1.00 52.54 O ATOM 445 CB THR A 34 -12.042 19.574 16.421 1.00 54.12 C ATOM 446 OG1 THR A 34 -13.346 19.524 17.011 1.00 73.12 O ATOM 447 CG2 THR A 34 -12.064 20.492 15.209 1.00 24.34 C ATOM 0 H THR A 34 -9.827 19.055 15.334 1.00 25.25 H new ATOM 0 HA THR A 34 -11.373 17.586 16.931 1.00 44.21 H new ATOM 0 HB THR A 34 -11.330 19.971 17.145 1.00 54.12 H new ATOM 0 HG1 THR A 34 -13.627 20.429 17.260 1.00 73.12 H new ATOM 0 HG21 THR A 34 -12.388 21.488 15.513 1.00 24.34 H new ATOM 0 HG22 THR A 34 -11.064 20.551 14.779 1.00 24.34 H new ATOM 0 HG23 THR A 34 -12.756 20.097 14.466 1.00 24.34 H new ATOM 604 N PRO A 46 -13.718 -0.762 19.850 1.00 12.12 N ATOM 605 CA PRO A 46 -13.837 -2.048 19.157 1.00 61.51 C ATOM 606 C PRO A 46 -15.024 -2.867 19.653 1.00 50.45 C ATOM 607 O PRO A 46 -15.455 -3.813 18.995 1.00 51.24 O ATOM 608 CB PRO A 46 -12.522 -2.755 19.494 1.00 71.52 C ATOM 609 CG PRO A 46 -12.083 -2.146 20.781 1.00 52.05 C ATOM 610 CD PRO A 46 -12.547 -0.717 20.741 1.00 44.10 C ATOM 0 HA PRO A 46 -14.007 -1.920 18.088 1.00 61.51 H new ATOM 0 HB2 PRO A 46 -12.665 -3.831 19.594 1.00 71.52 H new ATOM 0 HB3 PRO A 46 -11.779 -2.604 18.711 1.00 71.52 H new ATOM 0 HG2 PRO A 46 -12.517 -2.674 21.631 1.00 52.05 H new ATOM 0 HG3 PRO A 46 -11.000 -2.202 20.890 1.00 52.05 H new ATOM 0 HD2 PRO A 46 -12.811 -0.353 21.734 1.00 44.10 H new ATOM 0 HD3 PRO A 46 -11.773 -0.054 20.354 1.00 44.10 H new ATOM 615 N GLU A 47 -15.549 -2.495 20.817 1.00 30.13 N ATOM 616 CA GLU A 47 -16.687 -3.196 21.400 1.00 62.41 C ATOM 617 C GLU A 47 -18.002 -2.572 20.942 1.00 53.13 C ATOM 618 O GLU A 47 -19.082 -3.025 21.324 1.00 61.31 O ATOM 619 CB GLU A 47 -16.602 -3.170 22.928 1.00 70.54 C ATOM 620 CG GLU A 47 -16.367 -1.783 23.501 1.00 22.22 C ATOM 621 CD GLU A 47 -16.608 -1.722 24.997 1.00 45.30 C ATOM 622 OE1 GLU A 47 -15.655 -1.983 25.761 1.00 1.41 O ATOM 623 OE2 GLU A 47 -17.748 -1.414 25.402 1.00 35.32 O ATOM 0 H GLU A 47 -15.205 -1.713 21.374 1.00 30.13 H new ATOM 0 HA GLU A 47 -16.658 -4.231 21.059 1.00 62.41 H new ATOM 0 HB2 GLU A 47 -17.526 -3.573 23.342 1.00 70.54 H new ATOM 0 HB3 GLU A 47 -15.795 -3.828 23.250 1.00 70.54 H new ATOM 0 HG2 GLU A 47 -15.343 -1.475 23.289 1.00 22.22 H new ATOM 0 HG3 GLU A 47 -17.024 -1.071 23.001 1.00 22.22 H new ATOM 628 N ASP A 48 -17.904 -1.532 20.122 1.00 12.21 N ATOM 629 CA ASP A 48 -19.085 -0.846 19.612 1.00 30.45 C ATOM 630 C ASP A 48 -19.661 -1.581 18.406 1.00 10.23 C ATOM 631 O ASP A 48 -20.631 -1.131 17.798 1.00 43.50 O ATOM 632 CB ASP A 48 -18.739 0.594 19.230 1.00 1.42 C ATOM 633 CG ASP A 48 -19.972 1.436 18.969 1.00 51.22 C ATOM 634 OD1 ASP A 48 -20.670 1.785 19.944 1.00 41.22 O ATOM 635 OD2 ASP A 48 -20.240 1.746 17.789 1.00 35.35 O ATOM 0 H ASP A 48 -17.018 -1.145 19.796 1.00 12.21 H new ATOM 0 HA ASP A 48 -19.837 -0.834 20.401 1.00 30.45 H new ATOM 0 HB2 ASP A 48 -18.155 1.049 20.030 1.00 1.42 H new ATOM 0 HB3 ASP A 48 -18.111 0.590 18.339 1.00 1.42 H new ATOM 639 N ASN A 49 -19.055 -2.713 18.065 1.00 61.13 N ATOM 640 CA ASN A 49 -19.507 -3.509 16.930 1.00 73.45 C ATOM 641 C ASN A 49 -20.927 -4.022 17.156 1.00 61.10 C ATOM 642 O ASN A 49 -21.635 -4.361 16.207 1.00 31.42 O ATOM 643 CB ASN A 49 -18.559 -4.688 16.697 1.00 64.33 C ATOM 644 CG ASN A 49 -17.309 -4.282 15.940 1.00 11.23 C ATOM 645 OD1 ASN A 49 -17.181 -3.140 15.497 1.00 34.40 O ATOM 646 ND2 ASN A 49 -16.379 -5.218 15.790 1.00 12.21 N ATOM 0 H ASN A 49 -18.250 -3.100 18.558 1.00 61.13 H new ATOM 0 HA ASN A 49 -19.506 -2.870 16.047 1.00 73.45 H new ATOM 0 HB2 ASN A 49 -18.275 -5.118 17.657 1.00 64.33 H new ATOM 0 HB3 ASN A 49 -19.081 -5.466 16.141 1.00 64.33 H new ATOM 0 HD21 ASN A 49 -15.516 -5.004 15.291 1.00 12.21 H new ATOM 0 HD22 ASN A 49 -16.528 -6.151 16.174 1.00 12.21 H new ATOM 652 N LYS A 50 -21.336 -4.076 18.419 1.00 73.12 N ATOM 653 CA LYS A 50 -22.671 -4.545 18.771 1.00 54.33 C ATOM 654 C LYS A 50 -23.647 -3.377 18.881 1.00 33.50 C ATOM 655 O LYS A 50 -24.860 -3.559 18.789 1.00 34.00 O ATOM 656 CB LYS A 50 -22.631 -5.317 20.093 1.00 23.23 C ATOM 657 CG LYS A 50 -24.006 -5.645 20.648 1.00 21.14 C ATOM 658 CD LYS A 50 -24.763 -6.595 19.735 1.00 13.42 C ATOM 659 CE LYS A 50 -25.606 -7.579 20.533 1.00 62.22 C ATOM 660 NZ LYS A 50 -26.581 -8.300 19.669 1.00 75.03 N ATOM 0 H LYS A 50 -20.762 -3.801 19.216 1.00 73.12 H new ATOM 0 HA LYS A 50 -23.016 -5.210 17.979 1.00 54.33 H new ATOM 0 HB2 LYS A 50 -22.077 -6.244 19.946 1.00 23.23 H new ATOM 0 HB3 LYS A 50 -22.081 -4.731 20.830 1.00 23.23 H new ATOM 0 HG2 LYS A 50 -23.903 -6.093 21.636 1.00 21.14 H new ATOM 0 HG3 LYS A 50 -24.578 -4.726 20.773 1.00 21.14 H new ATOM 0 HD2 LYS A 50 -25.405 -6.023 19.065 1.00 13.42 H new ATOM 0 HD3 LYS A 50 -24.057 -7.142 19.110 1.00 13.42 H new ATOM 0 HE2 LYS A 50 -24.954 -8.300 21.025 1.00 62.22 H new ATOM 0 HE3 LYS A 50 -26.141 -7.045 21.318 1.00 62.22 H new ATOM 0 HZ1 LYS A 50 -27.136 -8.961 20.249 1.00 75.03 H new ATOM 0 HZ2 LYS A 50 -27.220 -7.614 19.219 1.00 75.03 H new ATOM 0 HZ3 LYS A 50 -26.069 -8.830 18.935 1.00 75.03 H new ATOM 670 N GLY A 51 -23.108 -2.178 19.078 1.00 21.33 N ATOM 671 CA GLY A 51 -23.945 -0.999 19.195 1.00 13.34 C ATOM 672 C GLY A 51 -24.672 -0.673 17.906 1.00 31.22 C ATOM 673 O GLY A 51 -25.777 -0.132 17.928 1.00 44.15 O ATOM 0 H GLY A 51 -22.106 -2.002 19.159 1.00 21.33 H new ATOM 0 HA2 GLY A 51 -24.674 -1.152 19.991 1.00 13.34 H new ATOM 0 HA3 GLY A 51 -23.330 -0.148 19.486 1.00 13.34 H new ATOM 676 N VAL A 52 -24.049 -1.001 16.778 1.00 24.34 N ATOM 677 CA VAL A 52 -24.643 -0.739 15.473 1.00 42.11 C ATOM 678 C VAL A 52 -25.940 -1.519 15.293 1.00 41.41 C ATOM 679 O VAL A 52 -26.906 -1.015 14.720 1.00 71.43 O ATOM 680 CB VAL A 52 -23.675 -1.104 14.332 1.00 41.20 C ATOM 681 CG1 VAL A 52 -22.350 -0.378 14.503 1.00 33.34 C ATOM 682 CG2 VAL A 52 -23.465 -2.610 14.274 1.00 21.43 C ATOM 0 H VAL A 52 -23.133 -1.449 16.742 1.00 24.34 H new ATOM 0 HA VAL A 52 -24.856 0.329 15.431 1.00 42.11 H new ATOM 0 HB VAL A 52 -24.116 -0.785 13.388 1.00 41.20 H new ATOM 0 HG11 VAL A 52 -21.679 -0.648 13.688 1.00 33.34 H new ATOM 0 HG12 VAL A 52 -22.521 0.698 14.491 1.00 33.34 H new ATOM 0 HG13 VAL A 52 -21.899 -0.663 15.454 1.00 33.34 H new ATOM 0 HG21 VAL A 52 -22.778 -2.851 13.462 1.00 21.43 H new ATOM 0 HG22 VAL A 52 -23.045 -2.955 15.219 1.00 21.43 H new ATOM 0 HG23 VAL A 52 -24.421 -3.104 14.099 1.00 21.43 H new ATOM 692 N PHE A 53 -25.956 -2.753 15.788 1.00 24.31 N ATOM 693 CA PHE A 53 -27.135 -3.604 15.681 1.00 4.23 C ATOM 694 C PHE A 53 -28.046 -3.425 16.893 1.00 21.20 C ATOM 695 O PHE A 53 -29.182 -3.899 16.903 1.00 63.41 O ATOM 696 CB PHE A 53 -26.721 -5.071 15.552 1.00 1.41 C ATOM 697 CG PHE A 53 -26.151 -5.417 14.206 1.00 21.03 C ATOM 698 CD1 PHE A 53 -26.980 -5.571 13.107 1.00 52.31 C ATOM 699 CD2 PHE A 53 -24.786 -5.586 14.040 1.00 53.13 C ATOM 700 CE1 PHE A 53 -26.458 -5.891 11.868 1.00 5.14 C ATOM 701 CE2 PHE A 53 -24.258 -5.906 12.803 1.00 24.14 C ATOM 702 CZ PHE A 53 -25.095 -6.056 11.715 1.00 53.53 C ATOM 0 H PHE A 53 -25.166 -3.185 16.267 1.00 24.31 H new ATOM 0 HA PHE A 53 -27.686 -3.310 14.788 1.00 4.23 H new ATOM 0 HB2 PHE A 53 -25.983 -5.301 16.320 1.00 1.41 H new ATOM 0 HB3 PHE A 53 -27.588 -5.703 15.744 1.00 1.41 H new ATOM 0 HD1 PHE A 53 -28.046 -5.440 13.220 1.00 52.31 H new ATOM 0 HD2 PHE A 53 -24.127 -5.466 14.887 1.00 53.13 H new ATOM 0 HE1 PHE A 53 -27.115 -6.012 11.020 1.00 5.14 H new ATOM 0 HE2 PHE A 53 -23.192 -6.038 12.688 1.00 24.14 H new ATOM 0 HZ PHE A 53 -24.685 -6.302 10.747 1.00 53.53 H new ATOM 711 N GLN A 54 -27.537 -2.740 17.911 1.00 51.44 N ATOM 712 CA GLN A 54 -28.304 -2.500 19.128 1.00 13.32 C ATOM 713 C GLN A 54 -29.512 -1.614 18.845 1.00 24.23 C ATOM 714 O GLN A 54 -30.610 -1.867 19.337 1.00 73.20 O ATOM 715 CB GLN A 54 -27.419 -1.852 20.195 1.00 3.02 C ATOM 716 CG GLN A 54 -27.916 -2.072 21.614 1.00 55.01 C ATOM 717 CD GLN A 54 -27.471 -0.978 22.565 1.00 22.24 C ATOM 718 OE1 GLN A 54 -27.784 0.196 22.367 1.00 1.44 O ATOM 719 NE2 GLN A 54 -26.738 -1.357 23.604 1.00 35.40 N ATOM 0 H GLN A 54 -26.598 -2.342 17.918 1.00 51.44 H new ATOM 0 HA GLN A 54 -28.661 -3.461 19.497 1.00 13.32 H new ATOM 0 HB2 GLN A 54 -26.408 -2.250 20.107 1.00 3.02 H new ATOM 0 HB3 GLN A 54 -27.358 -0.781 20.003 1.00 3.02 H new ATOM 0 HG2 GLN A 54 -29.005 -2.123 21.610 1.00 55.01 H new ATOM 0 HG3 GLN A 54 -27.553 -3.033 21.977 1.00 55.01 H new ATOM 0 HE21 GLN A 54 -26.502 -2.341 23.730 1.00 35.40 H new ATOM 0 HE22 GLN A 54 -26.411 -0.664 24.277 1.00 35.40 H new ATOM 726 N GLY A 55 -29.300 -0.570 18.048 1.00 34.44 N ATOM 727 CA GLY A 55 -30.381 0.339 17.714 1.00 14.12 C ATOM 728 C GLY A 55 -31.105 -0.064 16.446 1.00 64.14 C ATOM 729 O GLY A 55 -32.193 0.437 16.157 1.00 53.12 O ATOM 0 H GLY A 55 -28.400 -0.338 17.628 1.00 34.44 H new ATOM 0 HA2 GLY A 55 -31.092 0.372 18.540 1.00 14.12 H new ATOM 0 HA3 GLY A 55 -29.981 1.346 17.596 1.00 14.12 H new ATOM 732 N VAL A 56 -30.502 -0.970 15.683 1.00 51.04 N ATOM 733 CA VAL A 56 -31.097 -1.440 14.438 1.00 72.50 C ATOM 734 C VAL A 56 -31.985 -2.656 14.677 1.00 31.43 C ATOM 735 O VAL A 56 -33.147 -2.680 14.272 1.00 23.00 O ATOM 736 CB VAL A 56 -30.017 -1.804 13.402 1.00 4.35 C ATOM 737 CG1 VAL A 56 -30.482 -2.956 12.526 1.00 51.23 C ATOM 738 CG2 VAL A 56 -29.662 -0.590 12.556 1.00 63.22 C ATOM 0 H VAL A 56 -29.601 -1.393 15.906 1.00 51.04 H new ATOM 0 HA VAL A 56 -31.703 -0.622 14.049 1.00 72.50 H new ATOM 0 HB VAL A 56 -29.121 -2.124 13.934 1.00 4.35 H new ATOM 0 HG11 VAL A 56 -29.705 -3.198 11.801 1.00 51.23 H new ATOM 0 HG12 VAL A 56 -30.682 -3.828 13.148 1.00 51.23 H new ATOM 0 HG13 VAL A 56 -31.393 -2.669 12.000 1.00 51.23 H new ATOM 0 HG21 VAL A 56 -28.898 -0.864 11.829 1.00 63.22 H new ATOM 0 HG22 VAL A 56 -30.551 -0.239 12.033 1.00 63.22 H new ATOM 0 HG23 VAL A 56 -29.283 0.204 13.200 1.00 63.22 H new ATOM 748 N HIS A 57 -31.430 -3.666 15.339 1.00 21.42 N ATOM 749 CA HIS A 57 -32.171 -4.887 15.635 1.00 43.31 C ATOM 750 C HIS A 57 -33.481 -4.567 16.347 1.00 13.54 C ATOM 751 O HIS A 57 -34.478 -5.270 16.181 1.00 54.13 O ATOM 752 CB HIS A 57 -31.325 -5.828 16.493 1.00 51.54 C ATOM 753 CG HIS A 57 -32.075 -7.028 16.983 1.00 41.55 C ATOM 754 ND1 HIS A 57 -32.943 -6.988 18.054 1.00 55.33 N ATOM 755 CD2 HIS A 57 -32.086 -8.308 16.540 1.00 2.13 C ATOM 756 CE1 HIS A 57 -33.453 -8.192 18.250 1.00 2.42 C ATOM 757 NE2 HIS A 57 -32.949 -9.010 17.344 1.00 15.12 N ATOM 0 H HIS A 57 -30.469 -3.663 15.681 1.00 21.42 H new ATOM 0 HA HIS A 57 -32.402 -5.381 14.691 1.00 43.31 H new ATOM 0 HB2 HIS A 57 -30.464 -6.160 15.913 1.00 51.54 H new ATOM 0 HB3 HIS A 57 -30.939 -5.276 17.350 1.00 51.54 H new ATOM 0 HD2 HIS A 57 -31.521 -8.703 15.709 1.00 2.13 H new ATOM 0 HE1 HIS A 57 -34.161 -8.461 19.020 1.00 2.42 H new ATOM 0 HE2 HIS A 57 -33.166 -10.003 17.256 1.00 15.12 H new ATOM 764 N ASP A 58 -33.472 -3.503 17.144 1.00 72.23 N ATOM 765 CA ASP A 58 -34.660 -3.091 17.883 1.00 21.44 C ATOM 766 C ASP A 58 -35.688 -2.460 16.950 1.00 63.01 C ATOM 767 O ASP A 58 -36.892 -2.538 17.193 1.00 63.30 O ATOM 768 CB ASP A 58 -34.281 -2.103 18.987 1.00 21.44 C ATOM 769 CG ASP A 58 -33.882 -2.797 20.275 1.00 63.14 C ATOM 770 OD1 ASP A 58 -32.725 -3.256 20.368 1.00 24.32 O ATOM 771 OD2 ASP A 58 -34.729 -2.882 21.188 1.00 12.14 O ATOM 0 H ASP A 58 -32.655 -2.911 17.294 1.00 72.23 H new ATOM 0 HA ASP A 58 -35.103 -3.978 18.336 1.00 21.44 H new ATOM 0 HB2 ASP A 58 -33.456 -1.479 18.644 1.00 21.44 H new ATOM 0 HB3 ASP A 58 -35.124 -1.440 19.181 1.00 21.44 H new ATOM 775 N SER A 59 -35.205 -1.834 15.881 1.00 32.21 N ATOM 776 CA SER A 59 -36.082 -1.185 14.913 1.00 74.13 C ATOM 777 C SER A 59 -36.697 -2.210 13.964 1.00 31.22 C ATOM 778 O SER A 59 -37.809 -2.026 13.471 1.00 72.21 O ATOM 779 CB SER A 59 -35.308 -0.134 14.115 1.00 35.11 C ATOM 780 OG SER A 59 -34.929 0.955 14.939 1.00 0.22 O ATOM 0 H SER A 59 -34.211 -1.763 15.663 1.00 32.21 H new ATOM 0 HA SER A 59 -36.886 -0.694 15.461 1.00 74.13 H new ATOM 0 HB2 SER A 59 -34.420 -0.588 13.676 1.00 35.11 H new ATOM 0 HB3 SER A 59 -35.923 0.227 13.290 1.00 35.11 H new ATOM 0 HG SER A 59 -34.040 0.786 15.316 1.00 0.22 H new ATOM 785 N ALA A 60 -35.962 -3.289 13.714 1.00 70.25 N ATOM 786 CA ALA A 60 -36.434 -4.345 12.826 1.00 1.40 C ATOM 787 C ALA A 60 -37.218 -5.402 13.597 1.00 1.34 C ATOM 788 O ALA A 60 -37.536 -6.463 13.063 1.00 15.41 O ATOM 789 CB ALA A 60 -35.263 -4.983 12.095 1.00 13.04 C ATOM 0 H ALA A 60 -35.038 -3.455 14.113 1.00 70.25 H new ATOM 0 HA ALA A 60 -37.104 -3.896 12.093 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -35.630 -5.769 11.436 1.00 13.04 H new ATOM 0 HB2 ALA A 60 -34.747 -4.226 11.504 1.00 13.04 H new ATOM 0 HB3 ALA A 60 -34.571 -5.411 12.820 1.00 13.04 H new ATOM 795 N GLU A 61 -37.525 -5.102 14.856 1.00 51.12 N ATOM 796 CA GLU A 61 -38.270 -6.029 15.700 1.00 4.32 C ATOM 797 C GLU A 61 -39.549 -6.490 15.006 1.00 40.32 C ATOM 798 O GLU A 61 -40.026 -7.601 15.234 1.00 44.15 O ATOM 799 CB GLU A 61 -38.613 -5.371 17.039 1.00 23.23 C ATOM 800 CG GLU A 61 -39.448 -6.250 17.953 1.00 74.04 C ATOM 801 CD GLU A 61 -38.747 -7.545 18.318 1.00 41.41 C ATOM 802 OE1 GLU A 61 -38.836 -8.511 17.531 1.00 4.23 O ATOM 803 OE2 GLU A 61 -38.110 -7.592 19.391 1.00 11.11 O ATOM 0 H GLU A 61 -37.270 -4.226 15.313 1.00 51.12 H new ATOM 0 HA GLU A 61 -37.641 -6.901 15.881 1.00 4.32 H new ATOM 0 HB2 GLU A 61 -37.688 -5.105 17.551 1.00 23.23 H new ATOM 0 HB3 GLU A 61 -39.152 -4.442 16.850 1.00 23.23 H new ATOM 0 HG2 GLU A 61 -39.684 -5.700 18.864 1.00 74.04 H new ATOM 0 HG3 GLU A 61 -40.395 -6.479 17.465 1.00 74.04 H new ATOM 808 N LYS A 62 -40.099 -5.626 14.159 1.00 11.01 N ATOM 809 CA LYS A 62 -41.321 -5.942 13.430 1.00 72.25 C ATOM 810 C LYS A 62 -41.030 -6.867 12.253 1.00 32.42 C ATOM 811 O LYS A 62 -41.797 -7.785 11.966 1.00 22.21 O ATOM 812 CB LYS A 62 -41.988 -4.660 12.931 1.00 4.44 C ATOM 813 CG LYS A 62 -41.094 -3.817 12.037 1.00 42.12 C ATOM 814 CD LYS A 62 -41.300 -2.332 12.283 1.00 23.04 C ATOM 815 CE LYS A 62 -42.500 -1.801 11.514 1.00 2.42 C ATOM 816 NZ LYS A 62 -42.802 -0.385 11.867 1.00 61.33 N ATOM 0 H LYS A 62 -39.717 -4.701 13.961 1.00 11.01 H new ATOM 0 HA LYS A 62 -41.998 -6.455 14.113 1.00 72.25 H new ATOM 0 HB2 LYS A 62 -42.893 -4.921 12.383 1.00 4.44 H new ATOM 0 HB3 LYS A 62 -42.296 -4.063 13.789 1.00 4.44 H new ATOM 0 HG2 LYS A 62 -40.050 -4.075 12.217 1.00 42.12 H new ATOM 0 HG3 LYS A 62 -41.303 -4.046 10.992 1.00 42.12 H new ATOM 0 HD2 LYS A 62 -41.442 -2.155 13.349 1.00 23.04 H new ATOM 0 HD3 LYS A 62 -40.405 -1.785 11.986 1.00 23.04 H new ATOM 0 HE2 LYS A 62 -42.308 -1.876 10.444 1.00 2.42 H new ATOM 0 HE3 LYS A 62 -43.371 -2.422 11.725 1.00 2.42 H new ATOM 0 HZ1 LYS A 62 -43.626 -0.060 11.322 1.00 61.33 H new ATOM 0 HZ2 LYS A 62 -43.010 -0.318 12.884 1.00 61.33 H new ATOM 0 HZ3 LYS A 62 -41.981 0.212 11.642 1.00 61.33 H new ATOM 826 N GLY A 63 -39.913 -6.620 11.574 1.00 3.23 N ATOM 827 CA GLY A 63 -39.538 -7.440 10.437 1.00 61.02 C ATOM 828 C GLY A 63 -38.616 -8.579 10.823 1.00 64.14 C ATOM 829 O GLY A 63 -38.002 -9.210 9.961 1.00 4.44 O ATOM 0 H GLY A 63 -39.261 -5.866 11.792 1.00 3.23 H new ATOM 0 HA2 GLY A 63 -40.437 -7.846 9.973 1.00 61.02 H new ATOM 0 HA3 GLY A 63 -39.047 -6.817 9.690 1.00 61.02 H new ATOM 832 N LYS A 64 -38.516 -8.845 12.121 1.00 43.14 N ATOM 833 CA LYS A 64 -37.662 -9.915 12.619 1.00 12.21 C ATOM 834 C LYS A 64 -38.492 -11.015 13.273 1.00 43.44 C ATOM 835 O LYS A 64 -38.015 -11.725 14.157 1.00 73.34 O ATOM 836 CB LYS A 64 -36.649 -9.362 13.625 1.00 42.54 C ATOM 837 CG LYS A 64 -35.421 -8.749 12.976 1.00 33.12 C ATOM 838 CD LYS A 64 -34.156 -9.088 13.747 1.00 23.32 C ATOM 839 CE LYS A 64 -33.007 -9.430 12.810 1.00 3.43 C ATOM 840 NZ LYS A 64 -32.169 -10.540 13.341 1.00 13.35 N ATOM 0 H LYS A 64 -39.017 -8.333 12.847 1.00 43.14 H new ATOM 0 HA LYS A 64 -37.127 -10.342 11.771 1.00 12.21 H new ATOM 0 HB2 LYS A 64 -37.137 -8.609 14.243 1.00 42.54 H new ATOM 0 HB3 LYS A 64 -36.335 -10.166 14.291 1.00 42.54 H new ATOM 0 HG2 LYS A 64 -35.331 -9.110 11.951 1.00 33.12 H new ATOM 0 HG3 LYS A 64 -35.538 -7.667 12.924 1.00 33.12 H new ATOM 0 HD2 LYS A 64 -33.875 -8.244 14.376 1.00 23.32 H new ATOM 0 HD3 LYS A 64 -34.348 -9.930 14.411 1.00 23.32 H new ATOM 0 HE2 LYS A 64 -33.405 -9.710 11.835 1.00 3.43 H new ATOM 0 HE3 LYS A 64 -32.386 -8.547 12.659 1.00 3.43 H new ATOM 0 HZ1 LYS A 64 -31.398 -10.742 12.674 1.00 13.35 H new ATOM 0 HZ2 LYS A 64 -31.768 -10.263 14.260 1.00 13.35 H new ATOM 0 HZ3 LYS A 64 -32.755 -11.391 13.461 1.00 13.35 H new ATOM 850 N ASP A 65 -39.739 -11.151 12.829 1.00 34.34 N ATOM 851 CA ASP A 65 -40.635 -12.167 13.369 1.00 32.24 C ATOM 852 C ASP A 65 -40.905 -13.257 12.337 1.00 54.21 C ATOM 853 O ASP A 65 -41.808 -14.075 12.506 1.00 51.02 O ATOM 854 CB ASP A 65 -41.952 -11.529 13.814 1.00 73.15 C ATOM 855 CG ASP A 65 -42.749 -12.431 14.737 1.00 2.03 C ATOM 856 OD1 ASP A 65 -42.225 -13.497 15.123 1.00 23.40 O ATOM 857 OD2 ASP A 65 -43.895 -12.070 15.073 1.00 54.44 O ATOM 0 H ASP A 65 -40.150 -10.571 12.098 1.00 34.34 H new ATOM 0 HA ASP A 65 -40.151 -12.623 14.233 1.00 32.24 H new ATOM 0 HB2 ASP A 65 -41.743 -10.588 14.322 1.00 73.15 H new ATOM 0 HB3 ASP A 65 -42.552 -11.291 12.936 1.00 73.15 H new ATOM 861 N ASN A 66 -40.116 -13.260 11.268 1.00 64.45 N ATOM 862 CA ASN A 66 -40.272 -14.249 10.207 1.00 34.41 C ATOM 863 C ASN A 66 -40.515 -15.639 10.789 1.00 11.34 C ATOM 864 O ASN A 66 -41.228 -16.452 10.203 1.00 24.35 O ATOM 865 CB ASN A 66 -39.031 -14.269 9.313 1.00 21.13 C ATOM 866 CG ASN A 66 -37.819 -14.847 10.018 1.00 14.04 C ATOM 867 OD1 ASN A 66 -37.607 -14.436 11.264 1.00 54.04 O flip ATOM 868 ND2 ASN A 66 -37.083 -15.655 9.451 1.00 64.33 N flip ATOM 0 H ASN A 66 -39.363 -12.590 11.113 1.00 64.45 H new ATOM 0 HA ASN A 66 -41.139 -13.968 9.609 1.00 34.41 H new ATOM 0 HB2 ASN A 66 -39.241 -14.855 8.418 1.00 21.13 H new ATOM 0 HB3 ASN A 66 -38.807 -13.254 8.984 1.00 21.13 H new ATOM 0 HD21 ASN A 66 -37.284 -15.943 8.493 1.00 64.33 H new ATOM 0 HD22 ASN A 66 -36.273 -16.037 9.939 1.00 64.33 H new ATOM 874 N ALA A 67 -39.918 -15.901 11.946 1.00 30.44 N ATOM 875 CA ALA A 67 -40.070 -17.190 12.610 1.00 32.42 C ATOM 876 C ALA A 67 -41.533 -17.617 12.649 1.00 43.32 C ATOM 877 O ALA A 67 -41.854 -18.786 12.432 1.00 12.22 O ATOM 878 CB ALA A 67 -39.498 -17.130 14.018 1.00 34.22 C ATOM 0 H ALA A 67 -39.324 -15.238 12.444 1.00 30.44 H new ATOM 0 HA ALA A 67 -39.516 -17.934 12.037 1.00 32.42 H new ATOM 0 HB1 ALA A 67 -39.619 -18.099 14.501 1.00 34.22 H new ATOM 0 HB2 ALA A 67 -38.439 -16.878 13.970 1.00 34.22 H new ATOM 0 HB3 ALA A 67 -40.026 -16.370 14.593 1.00 34.22 H new ATOM 947 N LEU A 74 -50.771 -16.983 4.403 1.00 3.11 N ATOM 948 CA LEU A 74 -49.659 -16.793 3.479 1.00 42.41 C ATOM 949 C LEU A 74 -49.901 -15.588 2.576 1.00 4.40 C ATOM 950 O LEU A 74 -48.985 -15.098 1.918 1.00 20.54 O ATOM 951 CB LEU A 74 -49.457 -18.048 2.629 1.00 62.30 C ATOM 952 CG LEU A 74 -48.753 -19.219 3.317 1.00 41.12 C ATOM 953 CD1 LEU A 74 -47.387 -18.793 3.832 1.00 51.40 C ATOM 954 CD2 LEU A 74 -49.608 -19.761 4.453 1.00 51.25 C ATOM 0 HA LEU A 74 -48.759 -16.609 4.066 1.00 42.41 H new ATOM 0 HB2 LEU A 74 -50.433 -18.389 2.283 1.00 62.30 H new ATOM 0 HB3 LEU A 74 -48.883 -17.774 1.744 1.00 62.30 H new ATOM 0 HG LEU A 74 -48.610 -20.014 2.585 1.00 41.12 H new ATOM 0 HD11 LEU A 74 -46.901 -19.639 4.318 1.00 51.40 H new ATOM 0 HD12 LEU A 74 -46.773 -18.453 2.998 1.00 51.40 H new ATOM 0 HD13 LEU A 74 -47.506 -17.981 4.550 1.00 51.40 H new ATOM 0 HD21 LEU A 74 -49.092 -20.594 4.931 1.00 51.25 H new ATOM 0 HD22 LEU A 74 -49.782 -18.973 5.185 1.00 51.25 H new ATOM 0 HD23 LEU A 74 -50.563 -20.106 4.057 1.00 51.25 H new ATOM 965 N ALA A 75 -51.142 -15.112 2.552 1.00 41.14 N ATOM 966 CA ALA A 75 -51.504 -13.962 1.734 1.00 61.33 C ATOM 967 C ALA A 75 -51.123 -12.657 2.423 1.00 3.52 C ATOM 968 O ALA A 75 -50.937 -11.630 1.770 1.00 3.51 O ATOM 969 CB ALA A 75 -52.994 -13.982 1.424 1.00 21.22 C ATOM 0 H ALA A 75 -51.914 -15.506 3.090 1.00 41.14 H new ATOM 0 HA ALA A 75 -50.949 -14.024 0.798 1.00 61.33 H new ATOM 0 HB1 ALA A 75 -53.250 -13.117 0.812 1.00 21.22 H new ATOM 0 HB2 ALA A 75 -53.241 -14.895 0.882 1.00 21.22 H new ATOM 0 HB3 ALA A 75 -53.560 -13.948 2.355 1.00 21.22 H new ATOM 975 N ASP A 76 -51.009 -12.703 3.746 1.00 30.11 N ATOM 976 CA ASP A 76 -50.649 -11.523 4.524 1.00 52.13 C ATOM 977 C ASP A 76 -49.268 -11.012 4.127 1.00 12.45 C ATOM 978 O ASP A 76 -49.031 -9.804 4.089 1.00 42.42 O ATOM 979 CB ASP A 76 -50.679 -11.844 6.019 1.00 23.14 C ATOM 980 CG ASP A 76 -50.180 -10.691 6.868 1.00 13.41 C ATOM 981 OD1 ASP A 76 -48.951 -10.584 7.062 1.00 41.31 O ATOM 982 OD2 ASP A 76 -51.020 -9.896 7.339 1.00 34.05 O ATOM 0 H ASP A 76 -51.161 -13.545 4.302 1.00 30.11 H new ATOM 0 HA ASP A 76 -51.379 -10.742 4.314 1.00 52.13 H new ATOM 0 HB2 ASP A 76 -51.698 -12.094 6.314 1.00 23.14 H new ATOM 0 HB3 ASP A 76 -50.066 -12.725 6.211 1.00 23.14 H new ATOM 986 N GLN A 77 -48.360 -11.938 3.837 1.00 25.10 N ATOM 987 CA GLN A 77 -47.001 -11.579 3.446 1.00 50.53 C ATOM 988 C GLN A 77 -46.912 -11.346 1.942 1.00 4.14 C ATOM 989 O GLN A 77 -46.181 -10.468 1.482 1.00 34.22 O ATOM 990 CB GLN A 77 -46.022 -12.678 3.862 1.00 12.24 C ATOM 991 CG GLN A 77 -45.815 -13.743 2.799 1.00 55.34 C ATOM 992 CD GLN A 77 -45.044 -14.942 3.316 1.00 23.24 C ATOM 993 OE1 GLN A 77 -44.374 -14.865 4.347 1.00 52.10 O ATOM 994 NE2 GLN A 77 -45.132 -16.057 2.602 1.00 64.33 N ATOM 0 H GLN A 77 -48.540 -12.942 3.865 1.00 25.10 H new ATOM 0 HA GLN A 77 -46.735 -10.653 3.955 1.00 50.53 H new ATOM 0 HB2 GLN A 77 -45.060 -12.224 4.102 1.00 12.24 H new ATOM 0 HB3 GLN A 77 -46.387 -13.152 4.773 1.00 12.24 H new ATOM 0 HG2 GLN A 77 -46.785 -14.073 2.427 1.00 55.34 H new ATOM 0 HG3 GLN A 77 -45.280 -13.309 1.954 1.00 55.34 H new ATOM 0 HE21 GLN A 77 -45.699 -16.076 1.754 1.00 64.33 H new ATOM 0 HE22 GLN A 77 -44.633 -16.895 2.901 1.00 64.33 H new ATOM 1001 N ALA A 78 -47.660 -12.136 1.179 1.00 45.44 N ATOM 1002 CA ALA A 78 -47.666 -12.013 -0.274 1.00 53.34 C ATOM 1003 C ALA A 78 -47.790 -10.554 -0.701 1.00 74.24 C ATOM 1004 O ALA A 78 -47.241 -10.150 -1.726 1.00 40.23 O ATOM 1005 CB ALA A 78 -48.800 -12.837 -0.868 1.00 31.33 C ATOM 0 H ALA A 78 -48.270 -12.868 1.543 1.00 45.44 H new ATOM 0 HA ALA A 78 -46.717 -12.395 -0.651 1.00 53.34 H new ATOM 0 HB1 ALA A 78 -48.793 -12.736 -1.953 1.00 31.33 H new ATOM 0 HB2 ALA A 78 -48.667 -13.885 -0.600 1.00 31.33 H new ATOM 0 HB3 ALA A 78 -49.753 -12.480 -0.477 1.00 31.33 H new ATOM 1011 N ARG A 79 -48.514 -9.770 0.091 1.00 42.12 N ATOM 1012 CA ARG A 79 -48.712 -8.356 -0.208 1.00 73.15 C ATOM 1013 C ARG A 79 -47.488 -7.540 0.196 1.00 14.44 C ATOM 1014 O ARG A 79 -47.016 -6.693 -0.563 1.00 13.00 O ATOM 1015 CB ARG A 79 -49.953 -7.829 0.516 1.00 22.43 C ATOM 1016 CG ARG A 79 -49.723 -7.548 1.992 1.00 60.42 C ATOM 1017 CD ARG A 79 -51.030 -7.260 2.714 1.00 30.32 C ATOM 1018 NE ARG A 79 -51.953 -8.390 2.645 1.00 63.33 N ATOM 1019 CZ ARG A 79 -53.153 -8.394 3.215 1.00 3.21 C ATOM 1020 NH1 ARG A 79 -53.574 -7.333 3.891 1.00 34.54 N ATOM 1021 NH2 ARG A 79 -53.937 -9.459 3.108 1.00 21.41 N ATOM 0 H ARG A 79 -48.973 -10.089 0.944 1.00 42.12 H new ATOM 0 HA ARG A 79 -48.857 -8.253 -1.283 1.00 73.15 H new ATOM 0 HB2 ARG A 79 -50.287 -6.913 0.028 1.00 22.43 H new ATOM 0 HB3 ARG A 79 -50.759 -8.556 0.414 1.00 22.43 H new ATOM 0 HG2 ARG A 79 -49.232 -8.404 2.454 1.00 60.42 H new ATOM 0 HG3 ARG A 79 -49.051 -6.697 2.101 1.00 60.42 H new ATOM 0 HD2 ARG A 79 -50.823 -7.024 3.758 1.00 30.32 H new ATOM 0 HD3 ARG A 79 -51.500 -6.380 2.275 1.00 30.32 H new ATOM 0 HE ARG A 79 -51.660 -9.221 2.131 1.00 63.33 H new ATOM 0 HH11 ARG A 79 -52.976 -6.511 3.974 1.00 34.54 H new ATOM 0 HH12 ARG A 79 -54.496 -7.339 4.327 1.00 34.54 H new ATOM 0 HH21 ARG A 79 -53.619 -10.276 2.587 1.00 21.41 H new ATOM 0 HH22 ARG A 79 -54.858 -9.460 3.546 1.00 21.41 H new ATOM 1032 N ASP A 80 -46.980 -7.800 1.396 1.00 33.33 N ATOM 1033 CA ASP A 80 -45.811 -7.089 1.901 1.00 55.12 C ATOM 1034 C ASP A 80 -44.524 -7.790 1.475 1.00 2.13 C ATOM 1035 O ASP A 80 -43.655 -7.184 0.847 1.00 61.24 O ATOM 1036 CB ASP A 80 -45.869 -6.987 3.426 1.00 51.23 C ATOM 1037 CG ASP A 80 -44.864 -5.996 3.979 1.00 20.12 C ATOM 1038 OD1 ASP A 80 -45.211 -4.802 4.095 1.00 41.32 O ATOM 1039 OD2 ASP A 80 -43.730 -6.414 4.295 1.00 32.02 O ATOM 0 H ASP A 80 -47.359 -8.497 2.037 1.00 33.33 H new ATOM 0 HA ASP A 80 -45.815 -6.085 1.477 1.00 55.12 H new ATOM 0 HB2 ASP A 80 -46.873 -6.689 3.729 1.00 51.23 H new ATOM 0 HB3 ASP A 80 -45.683 -7.969 3.860 1.00 51.23 H new ATOM 1043 N TYR A 81 -44.408 -9.066 1.823 1.00 3.21 N ATOM 1044 CA TYR A 81 -43.225 -9.847 1.480 1.00 2.21 C ATOM 1045 C TYR A 81 -42.753 -9.527 0.065 1.00 12.12 C ATOM 1046 O TYR A 81 -41.620 -9.091 -0.140 1.00 14.12 O ATOM 1047 CB TYR A 81 -43.523 -11.342 1.604 1.00 31.22 C ATOM 1048 CG TYR A 81 -42.282 -12.199 1.717 1.00 20.45 C ATOM 1049 CD1 TYR A 81 -41.238 -11.838 2.562 1.00 44.22 C ATOM 1050 CD2 TYR A 81 -42.152 -13.370 0.981 1.00 43.44 C ATOM 1051 CE1 TYR A 81 -40.103 -12.617 2.667 1.00 35.33 C ATOM 1052 CE2 TYR A 81 -41.021 -14.156 1.082 1.00 41.11 C ATOM 1053 CZ TYR A 81 -39.999 -13.775 1.926 1.00 42.30 C ATOM 1054 OH TYR A 81 -38.869 -14.555 2.029 1.00 42.31 O ATOM 0 H TYR A 81 -45.118 -9.582 2.342 1.00 3.21 H new ATOM 0 HA TYR A 81 -42.430 -9.582 2.177 1.00 2.21 H new ATOM 0 HB2 TYR A 81 -44.150 -11.508 2.480 1.00 31.22 H new ATOM 0 HB3 TYR A 81 -44.098 -11.663 0.735 1.00 31.22 H new ATOM 0 HD1 TYR A 81 -41.316 -10.933 3.146 1.00 44.22 H new ATOM 0 HD2 TYR A 81 -42.950 -13.671 0.318 1.00 43.44 H new ATOM 0 HE1 TYR A 81 -39.301 -12.321 3.326 1.00 35.33 H new ATOM 0 HE2 TYR A 81 -40.937 -15.064 0.503 1.00 41.11 H new ATOM 0 HH TYR A 81 -38.955 -15.335 1.442 1.00 42.31 H new ATOM 1063 N MET A 82 -43.631 -9.746 -0.909 1.00 22.44 N ATOM 1064 CA MET A 82 -43.304 -9.479 -2.305 1.00 41.01 C ATOM 1065 C MET A 82 -42.963 -8.007 -2.512 1.00 43.11 C ATOM 1066 O MET A 82 -42.056 -7.671 -3.273 1.00 43.23 O ATOM 1067 CB MET A 82 -44.474 -9.875 -3.209 1.00 1.32 C ATOM 1068 CG MET A 82 -45.452 -8.741 -3.468 1.00 42.42 C ATOM 1069 SD MET A 82 -46.773 -9.210 -4.602 1.00 52.41 S ATOM 1070 CE MET A 82 -48.104 -8.158 -4.025 1.00 24.23 C ATOM 0 H MET A 82 -44.573 -10.107 -0.757 1.00 22.44 H new ATOM 0 HA MET A 82 -42.431 -10.076 -2.568 1.00 41.01 H new ATOM 0 HB2 MET A 82 -44.082 -10.231 -4.162 1.00 1.32 H new ATOM 0 HB3 MET A 82 -45.009 -10.708 -2.753 1.00 1.32 H new ATOM 0 HG2 MET A 82 -45.888 -8.419 -2.522 1.00 42.42 H new ATOM 0 HG3 MET A 82 -44.912 -7.887 -3.878 1.00 42.42 H new ATOM 0 HE1 MET A 82 -48.867 -8.768 -3.542 1.00 24.23 H new ATOM 0 HE2 MET A 82 -47.712 -7.434 -3.310 1.00 24.23 H new ATOM 0 HE3 MET A 82 -48.544 -7.631 -4.871 1.00 24.23 H new ATOM 1078 N GLY A 83 -43.695 -7.132 -1.830 1.00 15.31 N ATOM 1079 CA GLY A 83 -43.454 -5.707 -1.953 1.00 2.34 C ATOM 1080 C GLY A 83 -42.106 -5.296 -1.395 1.00 31.43 C ATOM 1081 O GLY A 83 -41.577 -4.241 -1.744 1.00 54.44 O ATOM 0 H GLY A 83 -44.451 -7.385 -1.194 1.00 15.31 H new ATOM 0 HA2 GLY A 83 -43.511 -5.421 -3.003 1.00 2.34 H new ATOM 0 HA3 GLY A 83 -44.241 -5.162 -1.431 1.00 2.34 H new ATOM 1084 N ALA A 84 -41.549 -6.131 -0.523 1.00 21.21 N ATOM 1085 CA ALA A 84 -40.254 -5.848 0.084 1.00 73.15 C ATOM 1086 C ALA A 84 -39.129 -6.549 -0.672 1.00 53.13 C ATOM 1087 O ALA A 84 -38.058 -5.979 -0.876 1.00 23.22 O ATOM 1088 CB ALA A 84 -40.254 -6.271 1.546 1.00 62.33 C ATOM 0 H ALA A 84 -41.974 -7.008 -0.222 1.00 21.21 H new ATOM 0 HA ALA A 84 -40.080 -4.773 0.028 1.00 73.15 H new ATOM 0 HB1 ALA A 84 -39.281 -6.054 1.987 1.00 62.33 H new ATOM 0 HB2 ALA A 84 -41.027 -5.722 2.084 1.00 62.33 H new ATOM 0 HB3 ALA A 84 -40.454 -7.340 1.615 1.00 62.33 H new ATOM 1094 N ALA A 85 -39.381 -7.787 -1.083 1.00 34.24 N ATOM 1095 CA ALA A 85 -38.389 -8.565 -1.816 1.00 2.25 C ATOM 1096 C ALA A 85 -38.579 -8.415 -3.322 1.00 54.23 C ATOM 1097 O ALA A 85 -37.824 -7.705 -3.986 1.00 64.12 O ATOM 1098 CB ALA A 85 -38.465 -10.030 -1.416 1.00 55.41 C ATOM 0 H ALA A 85 -40.263 -8.273 -0.921 1.00 34.24 H new ATOM 0 HA ALA A 85 -37.401 -8.182 -1.560 1.00 2.25 H new ATOM 0 HB1 ALA A 85 -37.719 -10.598 -1.971 1.00 55.41 H new ATOM 0 HB2 ALA A 85 -38.273 -10.126 -0.347 1.00 55.41 H new ATOM 0 HB3 ALA A 85 -39.458 -10.418 -1.642 1.00 55.41 H new ATOM 1104 N LYS A 86 -39.592 -9.088 -3.856 1.00 75.45 N ATOM 1105 CA LYS A 86 -39.882 -9.031 -5.284 1.00 54.51 C ATOM 1106 C LYS A 86 -39.823 -7.595 -5.793 1.00 43.05 C ATOM 1107 O LYS A 86 -39.515 -7.353 -6.959 1.00 24.43 O ATOM 1108 CB LYS A 86 -41.262 -9.628 -5.569 1.00 54.52 C ATOM 1109 CG LYS A 86 -41.559 -9.797 -7.048 1.00 62.12 C ATOM 1110 CD LYS A 86 -42.569 -8.772 -7.536 1.00 13.33 C ATOM 1111 CE LYS A 86 -43.303 -9.258 -8.776 1.00 13.24 C ATOM 1112 NZ LYS A 86 -44.313 -8.270 -9.245 1.00 71.35 N ATOM 0 H LYS A 86 -40.227 -9.680 -3.321 1.00 75.45 H new ATOM 0 HA LYS A 86 -39.125 -9.615 -5.807 1.00 54.51 H new ATOM 0 HB2 LYS A 86 -41.337 -10.599 -5.079 1.00 54.52 H new ATOM 0 HB3 LYS A 86 -42.024 -8.988 -5.125 1.00 54.52 H new ATOM 0 HG2 LYS A 86 -40.636 -9.699 -7.619 1.00 62.12 H new ATOM 0 HG3 LYS A 86 -41.942 -10.801 -7.231 1.00 62.12 H new ATOM 0 HD2 LYS A 86 -43.289 -8.564 -6.744 1.00 13.33 H new ATOM 0 HD3 LYS A 86 -42.059 -7.835 -7.758 1.00 13.33 H new ATOM 0 HE2 LYS A 86 -42.584 -9.448 -9.573 1.00 13.24 H new ATOM 0 HE3 LYS A 86 -43.796 -10.206 -8.558 1.00 13.24 H new ATOM 0 HZ1 LYS A 86 -44.792 -8.638 -10.092 1.00 71.35 H new ATOM 0 HZ2 LYS A 86 -45.014 -8.107 -8.494 1.00 71.35 H new ATOM 0 HZ3 LYS A 86 -43.840 -7.373 -9.477 1.00 71.35 H new ATOM 1122 N SER A 87 -40.120 -6.646 -4.911 1.00 11.22 N ATOM 1123 CA SER A 87 -40.102 -5.234 -5.272 1.00 44.14 C ATOM 1124 C SER A 87 -38.700 -4.651 -5.119 1.00 65.14 C ATOM 1125 O SER A 87 -38.032 -4.343 -6.107 1.00 33.41 O ATOM 1126 CB SER A 87 -41.090 -4.450 -4.405 1.00 33.41 C ATOM 1127 OG SER A 87 -41.820 -3.516 -5.179 1.00 63.13 O ATOM 0 H SER A 87 -40.376 -6.830 -3.941 1.00 11.22 H new ATOM 0 HA SER A 87 -40.400 -5.149 -6.317 1.00 44.14 H new ATOM 0 HB2 SER A 87 -41.779 -5.141 -3.919 1.00 33.41 H new ATOM 0 HB3 SER A 87 -40.550 -3.929 -3.615 1.00 33.41 H new ATOM 0 HG SER A 87 -42.445 -3.030 -4.601 1.00 63.13 H new ATOM 1132 N LYS A 88 -38.261 -4.503 -3.875 1.00 24.14 N ATOM 1133 CA LYS A 88 -36.938 -3.958 -3.591 1.00 15.34 C ATOM 1134 C LYS A 88 -35.848 -4.823 -4.214 1.00 70.33 C ATOM 1135 O LYS A 88 -35.037 -4.342 -5.007 1.00 20.32 O ATOM 1136 CB LYS A 88 -36.721 -3.857 -2.079 1.00 30.13 C ATOM 1137 CG LYS A 88 -35.958 -2.613 -1.656 1.00 74.14 C ATOM 1138 CD LYS A 88 -34.775 -2.961 -0.768 1.00 1.45 C ATOM 1139 CE LYS A 88 -34.517 -1.875 0.266 1.00 31.13 C ATOM 1140 NZ LYS A 88 -34.154 -0.578 -0.370 1.00 0.41 N ATOM 0 H LYS A 88 -38.801 -4.753 -3.047 1.00 24.14 H new ATOM 0 HA LYS A 88 -36.881 -2.961 -4.029 1.00 15.34 H new ATOM 0 HB2 LYS A 88 -37.690 -3.866 -1.580 1.00 30.13 H new ATOM 0 HB3 LYS A 88 -36.179 -4.739 -1.738 1.00 30.13 H new ATOM 0 HG2 LYS A 88 -35.607 -2.082 -2.541 1.00 74.14 H new ATOM 0 HG3 LYS A 88 -36.628 -1.937 -1.124 1.00 74.14 H new ATOM 0 HD2 LYS A 88 -34.964 -3.908 -0.263 1.00 1.45 H new ATOM 0 HD3 LYS A 88 -33.885 -3.099 -1.382 1.00 1.45 H new ATOM 0 HE2 LYS A 88 -35.406 -1.741 0.882 1.00 31.13 H new ATOM 0 HE3 LYS A 88 -33.713 -2.191 0.931 1.00 31.13 H new ATOM 0 HZ1 LYS A 88 -33.904 0.112 0.367 1.00 0.41 H new ATOM 0 HZ2 LYS A 88 -33.341 -0.718 -1.004 1.00 0.41 H new ATOM 0 HZ3 LYS A 88 -34.963 -0.222 -0.918 1.00 0.41 H new ATOM 1150 N LEU A 89 -35.835 -6.102 -3.855 1.00 0.54 N ATOM 1151 CA LEU A 89 -34.844 -7.035 -4.381 1.00 53.40 C ATOM 1152 C LEU A 89 -34.763 -6.942 -5.901 1.00 62.22 C ATOM 1153 O LEU A 89 -33.705 -6.657 -6.459 1.00 61.34 O ATOM 1154 CB LEU A 89 -35.191 -8.466 -3.963 1.00 24.35 C ATOM 1155 CG LEU A 89 -34.094 -9.510 -4.177 1.00 52.22 C ATOM 1156 CD1 LEU A 89 -34.187 -10.604 -3.123 1.00 5.40 C ATOM 1157 CD2 LEU A 89 -34.188 -10.105 -5.574 1.00 2.43 C ATOM 0 H LEU A 89 -36.499 -6.517 -3.202 1.00 0.54 H new ATOM 0 HA LEU A 89 -33.872 -6.768 -3.967 1.00 53.40 H new ATOM 0 HB2 LEU A 89 -35.459 -8.460 -2.906 1.00 24.35 H new ATOM 0 HB3 LEU A 89 -36.077 -8.780 -4.515 1.00 24.35 H new ATOM 0 HG LEU A 89 -33.126 -9.018 -4.078 1.00 52.22 H new ATOM 0 HD11 LEU A 89 -33.399 -11.338 -3.290 1.00 5.40 H new ATOM 0 HD12 LEU A 89 -34.070 -10.165 -2.132 1.00 5.40 H new ATOM 0 HD13 LEU A 89 -35.159 -11.093 -3.191 1.00 5.40 H new ATOM 0 HD21 LEU A 89 -33.400 -10.846 -5.708 1.00 2.43 H new ATOM 0 HD22 LEU A 89 -35.160 -10.582 -5.702 1.00 2.43 H new ATOM 0 HD23 LEU A 89 -34.072 -9.314 -6.315 1.00 2.43 H new ATOM 1168 N ASN A 90 -35.889 -7.182 -6.565 1.00 75.22 N ATOM 1169 CA ASN A 90 -35.946 -7.125 -8.021 1.00 14.52 C ATOM 1170 C ASN A 90 -35.668 -5.710 -8.520 1.00 12.42 C ATOM 1171 O ASN A 90 -34.650 -5.456 -9.163 1.00 64.10 O ATOM 1172 CB ASN A 90 -37.315 -7.593 -8.518 1.00 72.13 C ATOM 1173 CG ASN A 90 -37.236 -8.280 -9.867 1.00 65.50 C ATOM 1174 OD1 ASN A 90 -36.321 -9.062 -10.126 1.00 60.24 O ATOM 1175 ND2 ASN A 90 -38.196 -7.989 -10.737 1.00 0.42 N ATOM 0 H ASN A 90 -36.775 -7.418 -6.118 1.00 75.22 H new ATOM 0 HA ASN A 90 -35.178 -7.789 -8.416 1.00 14.52 H new ATOM 0 HB2 ASN A 90 -37.748 -8.278 -7.789 1.00 72.13 H new ATOM 0 HB3 ASN A 90 -37.985 -6.736 -8.588 1.00 72.13 H new ATOM 0 HD21 ASN A 90 -38.194 -8.419 -11.662 1.00 0.42 H new ATOM 0 HD22 ASN A 90 -38.936 -7.335 -10.481 1.00 0.42 H new ATOM 1181 N ASP A 91 -36.580 -4.792 -8.218 1.00 51.22 N ATOM 1182 CA ASP A 91 -36.434 -3.403 -8.635 1.00 15.22 C ATOM 1183 C ASP A 91 -35.010 -2.911 -8.392 1.00 5.31 C ATOM 1184 O ASP A 91 -34.504 -2.061 -9.126 1.00 15.50 O ATOM 1185 CB ASP A 91 -37.428 -2.516 -7.884 1.00 12.44 C ATOM 1186 CG ASP A 91 -37.553 -1.136 -8.499 1.00 22.44 C ATOM 1187 OD1 ASP A 91 -37.364 -1.015 -9.728 1.00 65.43 O ATOM 1188 OD2 ASP A 91 -37.840 -0.177 -7.752 1.00 62.44 O ATOM 0 H ASP A 91 -37.428 -4.985 -7.686 1.00 51.22 H new ATOM 0 HA ASP A 91 -36.643 -3.345 -9.703 1.00 15.22 H new ATOM 0 HB2 ASP A 91 -38.406 -2.997 -7.877 1.00 12.44 H new ATOM 0 HB3 ASP A 91 -37.112 -2.420 -6.845 1.00 12.44 H new ATOM 1192 N ALA A 92 -34.371 -3.448 -7.359 1.00 54.00 N ATOM 1193 CA ALA A 92 -33.006 -3.064 -7.020 1.00 42.25 C ATOM 1194 C ALA A 92 -31.994 -3.960 -7.726 1.00 72.02 C ATOM 1195 O ALA A 92 -31.335 -3.540 -8.677 1.00 53.20 O ATOM 1196 CB ALA A 92 -32.801 -3.118 -5.514 1.00 3.32 C ATOM 0 H ALA A 92 -34.777 -4.151 -6.741 1.00 54.00 H new ATOM 0 HA ALA A 92 -32.847 -2.041 -7.360 1.00 42.25 H new ATOM 0 HB1 ALA A 92 -31.777 -2.829 -5.276 1.00 3.32 H new ATOM 0 HB2 ALA A 92 -33.495 -2.432 -5.028 1.00 3.32 H new ATOM 0 HB3 ALA A 92 -32.984 -4.132 -5.158 1.00 3.32 H new ATOM 1202 N VAL A 93 -31.873 -5.196 -7.253 1.00 72.25 N ATOM 1203 CA VAL A 93 -30.941 -6.152 -7.838 1.00 3.01 C ATOM 1204 C VAL A 93 -30.980 -6.095 -9.361 1.00 61.43 C ATOM 1205 O VAL A 93 -29.974 -6.337 -10.027 1.00 43.11 O ATOM 1206 CB VAL A 93 -31.249 -7.590 -7.381 1.00 13.01 C ATOM 1207 CG1 VAL A 93 -32.281 -8.232 -8.296 1.00 24.53 C ATOM 1208 CG2 VAL A 93 -29.974 -8.419 -7.337 1.00 55.02 C ATOM 0 H VAL A 93 -32.410 -5.559 -6.465 1.00 72.25 H new ATOM 0 HA VAL A 93 -29.945 -5.875 -7.492 1.00 3.01 H new ATOM 0 HB VAL A 93 -31.665 -7.552 -6.374 1.00 13.01 H new ATOM 0 HG11 VAL A 93 -32.486 -9.248 -7.957 1.00 24.53 H new ATOM 0 HG12 VAL A 93 -33.202 -7.649 -8.272 1.00 24.53 H new ATOM 0 HG13 VAL A 93 -31.896 -8.260 -9.315 1.00 24.53 H new ATOM 0 HG21 VAL A 93 -30.210 -9.432 -7.012 1.00 55.02 H new ATOM 0 HG22 VAL A 93 -29.527 -8.451 -8.330 1.00 55.02 H new ATOM 0 HG23 VAL A 93 -29.271 -7.968 -6.637 1.00 55.02 H new ATOM 1218 N GLU A 94 -32.149 -5.773 -9.906 1.00 10.01 N ATOM 1219 CA GLU A 94 -32.319 -5.686 -11.352 1.00 3.01 C ATOM 1220 C GLU A 94 -31.789 -4.356 -11.881 1.00 64.34 C ATOM 1221 O GLU A 94 -31.004 -4.322 -12.830 1.00 34.53 O ATOM 1222 CB GLU A 94 -33.795 -5.844 -11.725 1.00 31.45 C ATOM 1223 CG GLU A 94 -34.015 -6.306 -13.155 1.00 24.25 C ATOM 1224 CD GLU A 94 -33.674 -5.235 -14.174 1.00 10.45 C ATOM 1225 OE1 GLU A 94 -34.158 -4.094 -14.020 1.00 34.12 O ATOM 1226 OE2 GLU A 94 -32.922 -5.538 -15.124 1.00 40.22 O ATOM 0 H GLU A 94 -32.992 -5.568 -9.369 1.00 10.01 H new ATOM 0 HA GLU A 94 -31.748 -6.494 -11.809 1.00 3.01 H new ATOM 0 HB2 GLU A 94 -34.258 -6.560 -11.046 1.00 31.45 H new ATOM 0 HB3 GLU A 94 -34.302 -4.891 -11.578 1.00 31.45 H new ATOM 0 HG2 GLU A 94 -33.406 -7.190 -13.345 1.00 24.25 H new ATOM 0 HG3 GLU A 94 -35.056 -6.603 -13.281 1.00 24.25 H new ATOM 1231 N TYR A 95 -32.225 -3.264 -11.264 1.00 63.11 N ATOM 1232 CA TYR A 95 -31.798 -1.932 -11.675 1.00 24.04 C ATOM 1233 C TYR A 95 -30.522 -1.520 -10.947 1.00 11.21 C ATOM 1234 O TYR A 95 -29.556 -1.073 -11.565 1.00 33.41 O ATOM 1235 CB TYR A 95 -32.905 -0.912 -11.404 1.00 30.33 C ATOM 1236 CG TYR A 95 -32.464 0.523 -11.584 1.00 22.25 C ATOM 1237 CD1 TYR A 95 -31.868 1.223 -10.542 1.00 34.32 C ATOM 1238 CD2 TYR A 95 -32.645 1.180 -12.795 1.00 25.23 C ATOM 1239 CE1 TYR A 95 -31.463 2.534 -10.702 1.00 34.04 C ATOM 1240 CE2 TYR A 95 -32.242 2.490 -12.964 1.00 41.33 C ATOM 1241 CZ TYR A 95 -31.652 3.164 -11.914 1.00 51.45 C ATOM 1242 OH TYR A 95 -31.251 4.470 -12.078 1.00 51.55 O ATOM 0 H TYR A 95 -32.874 -3.275 -10.477 1.00 63.11 H new ATOM 0 HA TYR A 95 -31.592 -1.959 -12.745 1.00 24.04 H new ATOM 0 HB2 TYR A 95 -33.743 -1.112 -12.072 1.00 30.33 H new ATOM 0 HB3 TYR A 95 -33.270 -1.046 -10.386 1.00 30.33 H new ATOM 0 HD1 TYR A 95 -31.719 0.734 -9.591 1.00 34.32 H new ATOM 0 HD2 TYR A 95 -33.109 0.657 -13.618 1.00 25.23 H new ATOM 0 HE1 TYR A 95 -31.001 3.063 -9.882 1.00 34.04 H new ATOM 0 HE2 TYR A 95 -32.388 2.985 -13.913 1.00 41.33 H new ATOM 0 HH TYR A 95 -31.456 4.763 -12.991 1.00 51.55 H new ATOM 1251 N VAL A 96 -30.527 -1.674 -9.626 1.00 10.31 N ATOM 1252 CA VAL A 96 -29.370 -1.320 -8.811 1.00 54.14 C ATOM 1253 C VAL A 96 -28.136 -2.104 -9.240 1.00 61.13 C ATOM 1254 O VAL A 96 -27.127 -1.524 -9.641 1.00 41.02 O ATOM 1255 CB VAL A 96 -29.637 -1.580 -7.316 1.00 64.21 C ATOM 1256 CG1 VAL A 96 -28.349 -1.462 -6.516 1.00 4.23 C ATOM 1257 CG2 VAL A 96 -30.692 -0.620 -6.789 1.00 23.11 C ATOM 0 H VAL A 96 -31.319 -2.041 -9.098 1.00 10.31 H new ATOM 0 HA VAL A 96 -29.190 -0.255 -8.961 1.00 54.14 H new ATOM 0 HB VAL A 96 -30.015 -2.596 -7.203 1.00 64.21 H new ATOM 0 HG11 VAL A 96 -28.557 -1.649 -5.462 1.00 4.23 H new ATOM 0 HG12 VAL A 96 -27.627 -2.194 -6.879 1.00 4.23 H new ATOM 0 HG13 VAL A 96 -27.939 -0.459 -6.633 1.00 4.23 H new ATOM 0 HG21 VAL A 96 -30.868 -0.818 -5.732 1.00 23.11 H new ATOM 0 HG22 VAL A 96 -30.345 0.406 -6.913 1.00 23.11 H new ATOM 0 HG23 VAL A 96 -31.620 -0.759 -7.344 1.00 23.11 H new ATOM 1267 N SER A 97 -28.222 -3.428 -9.153 1.00 71.21 N ATOM 1268 CA SER A 97 -27.111 -4.293 -9.529 1.00 21.33 C ATOM 1269 C SER A 97 -26.883 -4.260 -11.037 1.00 74.43 C ATOM 1270 O SER A 97 -25.745 -4.244 -11.504 1.00 62.12 O ATOM 1271 CB SER A 97 -27.377 -5.729 -9.072 1.00 64.54 C ATOM 1272 OG SER A 97 -26.214 -6.309 -8.507 1.00 23.02 O ATOM 0 H SER A 97 -29.050 -3.925 -8.825 1.00 71.21 H new ATOM 0 HA SER A 97 -26.212 -3.924 -9.035 1.00 21.33 H new ATOM 0 HB2 SER A 97 -28.184 -5.737 -8.339 1.00 64.54 H new ATOM 0 HB3 SER A 97 -27.710 -6.328 -9.920 1.00 64.54 H new ATOM 0 HG SER A 97 -26.411 -7.226 -8.222 1.00 23.02 H new ATOM 1277 N GLY A 98 -27.976 -4.252 -11.794 1.00 24.44 N ATOM 1278 CA GLY A 98 -27.875 -4.222 -13.242 1.00 5.54 C ATOM 1279 C GLY A 98 -27.221 -2.953 -13.751 1.00 2.53 C ATOM 1280 O GLY A 98 -26.731 -2.909 -14.879 1.00 21.35 O ATOM 0 H GLY A 98 -28.929 -4.266 -11.431 1.00 24.44 H new ATOM 0 HA2 GLY A 98 -27.301 -5.084 -13.581 1.00 5.54 H new ATOM 0 HA3 GLY A 98 -28.871 -4.312 -13.675 1.00 5.54 H new ATOM 1283 N ARG A 99 -27.215 -1.916 -12.919 1.00 72.31 N ATOM 1284 CA ARG A 99 -26.619 -0.639 -13.292 1.00 71.30 C ATOM 1285 C ARG A 99 -25.124 -0.629 -12.994 1.00 32.53 C ATOM 1286 O ARG A 99 -24.308 -0.318 -13.862 1.00 32.33 O ATOM 1287 CB ARG A 99 -27.307 0.506 -12.547 1.00 53.10 C ATOM 1288 CG ARG A 99 -28.528 1.055 -13.267 1.00 12.31 C ATOM 1289 CD ARG A 99 -28.285 2.464 -13.781 1.00 4.45 C ATOM 1290 NE ARG A 99 -27.378 2.481 -14.926 1.00 33.11 N ATOM 1291 CZ ARG A 99 -26.722 3.564 -15.329 1.00 75.33 C ATOM 1292 NH1 ARG A 99 -26.870 4.711 -14.682 1.00 31.34 N ATOM 1293 NH2 ARG A 99 -25.914 3.499 -16.380 1.00 53.11 N ATOM 0 H ARG A 99 -27.617 -1.936 -11.982 1.00 72.31 H new ATOM 0 HA ARG A 99 -26.758 -0.501 -14.364 1.00 71.30 H new ATOM 0 HB2 ARG A 99 -27.605 0.157 -11.558 1.00 53.10 H new ATOM 0 HB3 ARG A 99 -26.590 1.314 -12.398 1.00 53.10 H new ATOM 0 HG2 ARG A 99 -28.784 0.402 -14.101 1.00 12.31 H new ATOM 0 HG3 ARG A 99 -29.381 1.056 -12.589 1.00 12.31 H new ATOM 0 HD2 ARG A 99 -29.236 2.915 -14.065 1.00 4.45 H new ATOM 0 HD3 ARG A 99 -27.869 3.075 -12.980 1.00 4.45 H new ATOM 0 HE ARG A 99 -27.241 1.614 -15.445 1.00 33.11 H new ATOM 0 HH11 ARG A 99 -27.489 4.764 -13.873 1.00 31.34 H new ATOM 0 HH12 ARG A 99 -26.365 5.541 -14.993 1.00 31.34 H new ATOM 0 HH21 ARG A 99 -25.796 2.617 -16.879 1.00 53.11 H new ATOM 0 HH22 ARG A 99 -25.411 4.331 -16.689 1.00 53.11 H new ATOM 1304 N VAL A 100 -24.769 -0.971 -11.759 1.00 34.41 N ATOM 1305 CA VAL A 100 -23.372 -1.002 -11.345 1.00 33.12 C ATOM 1306 C VAL A 100 -22.621 -2.141 -12.027 1.00 10.42 C ATOM 1307 O VAL A 100 -21.409 -2.068 -12.227 1.00 2.10 O ATOM 1308 CB VAL A 100 -23.241 -1.158 -9.818 1.00 3.31 C ATOM 1309 CG1 VAL A 100 -21.780 -1.117 -9.399 1.00 65.31 C ATOM 1310 CG2 VAL A 100 -24.040 -0.078 -9.103 1.00 22.22 C ATOM 0 H VAL A 100 -25.431 -1.231 -11.028 1.00 34.41 H new ATOM 0 HA VAL A 100 -22.933 -0.050 -11.644 1.00 33.12 H new ATOM 0 HB VAL A 100 -23.647 -2.129 -9.533 1.00 3.31 H new ATOM 0 HG11 VAL A 100 -21.708 -1.229 -8.317 1.00 65.31 H new ATOM 0 HG12 VAL A 100 -21.239 -1.930 -9.884 1.00 65.31 H new ATOM 0 HG13 VAL A 100 -21.343 -0.163 -9.695 1.00 65.31 H new ATOM 0 HG21 VAL A 100 -23.937 -0.203 -8.025 1.00 22.22 H new ATOM 0 HG22 VAL A 100 -23.665 0.904 -9.392 1.00 22.22 H new ATOM 0 HG23 VAL A 100 -25.091 -0.161 -9.379 1.00 22.22 H new ATOM 1320 N HIS A 101 -23.351 -3.193 -12.381 1.00 63.44 N ATOM 1321 CA HIS A 101 -22.755 -4.349 -13.043 1.00 42.01 C ATOM 1322 C HIS A 101 -22.056 -3.935 -14.335 1.00 53.03 C ATOM 1323 O HIS A 101 -21.111 -4.586 -14.777 1.00 35.21 O ATOM 1324 CB HIS A 101 -23.825 -5.400 -13.343 1.00 3.34 C ATOM 1325 CG HIS A 101 -23.314 -6.569 -14.127 1.00 23.53 C ATOM 1326 ND1 HIS A 101 -22.992 -7.779 -13.551 1.00 52.23 N ATOM 1327 CD2 HIS A 101 -23.070 -6.707 -15.451 1.00 61.05 C ATOM 1328 CE1 HIS A 101 -22.572 -8.612 -14.487 1.00 1.44 C ATOM 1329 NE2 HIS A 101 -22.609 -7.986 -15.649 1.00 11.40 N ATOM 0 H HIS A 101 -24.355 -3.270 -12.221 1.00 63.44 H new ATOM 0 HA HIS A 101 -22.013 -4.779 -12.370 1.00 42.01 H new ATOM 0 HB2 HIS A 101 -24.244 -5.759 -12.403 1.00 3.34 H new ATOM 0 HB3 HIS A 101 -24.639 -4.930 -13.896 1.00 3.34 H new ATOM 0 HD2 HIS A 101 -23.211 -5.952 -16.210 1.00 61.05 H new ATOM 0 HE1 HIS A 101 -22.253 -9.631 -14.328 1.00 1.44 H new ATOM 0 HE2 HIS A 101 -22.339 -8.387 -16.547 1.00 11.40 H new