USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 482 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 : B 16 CYS SG : rot 170:sc= -0.0645 USER MOD Single : B 19 TYR OH : rot 70:sc= -0.0442 USER MOD Single : B 22 ASN : amide:sc= -0.849 X(o=-0.85,f=-0.56) USER MOD Single : B 30 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.2) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.244) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 174:sc= 0.0681 (180deg=-0.0548) USER MOD Single : B 49 ASN : amide:sc= 0.0487 K(o=0.049,f=-4.1!) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N CYS B 16 13.075 -0.974 -0.810 1.00 0.00 N ATOM 139 CA CYS B 16 14.448 -0.501 -0.698 1.00 0.00 C ATOM 140 C CYS B 16 14.516 1.027 -0.661 1.00 0.00 C ATOM 141 O CYS B 16 15.568 1.607 -0.915 1.00 0.00 O ATOM 142 CB CYS B 16 15.276 -1.063 -1.855 1.00 0.00 C ATOM 143 SG CYS B 16 15.345 -2.868 -1.711 1.00 0.00 S ATOM 0 HA CYS B 16 14.864 -0.858 0.244 1.00 0.00 H new ATOM 0 HB2 CYS B 16 14.832 -0.778 -2.809 1.00 0.00 H new ATOM 0 HB3 CYS B 16 16.283 -0.645 -1.835 1.00 0.00 H new ATOM 0 HG CYS B 16 15.858 -3.370 -2.794 1.00 0.00 H new ATOM 149 N ARG B 17 13.392 1.682 -0.349 1.00 0.00 N ATOM 150 CA ARG B 17 13.290 3.130 -0.381 1.00 0.00 C ATOM 151 C ARG B 17 14.014 3.762 0.806 1.00 0.00 C ATOM 152 O ARG B 17 14.090 3.170 1.882 1.00 0.00 O ATOM 153 CB ARG B 17 11.813 3.510 -0.408 1.00 0.00 C ATOM 154 CG ARG B 17 11.634 4.949 -0.885 1.00 0.00 C ATOM 155 CD ARG B 17 10.143 5.299 -0.986 1.00 0.00 C ATOM 156 NE ARG B 17 9.460 4.446 -1.966 1.00 0.00 N ATOM 157 CZ ARG B 17 8.189 4.602 -2.335 1.00 0.00 C ATOM 158 NH1 ARG B 17 7.436 5.561 -1.801 1.00 0.00 N ATOM 159 NH2 ARG B 17 7.655 3.795 -3.244 1.00 0.00 N ATOM 0 H ARG B 17 12.530 1.214 -0.068 1.00 0.00 H new ATOM 0 HA ARG B 17 13.777 3.514 -1.278 1.00 0.00 H new ATOM 0 HB2 ARG B 17 11.270 2.833 -1.068 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.385 3.396 0.588 1.00 0.00 H new ATOM 0 HG2 ARG B 17 12.128 5.632 -0.194 1.00 0.00 H new ATOM 0 HG3 ARG B 17 12.111 5.079 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG B 17 9.673 5.183 -0.009 1.00 0.00 H new ATOM 0 HD3 ARG B 17 10.031 6.345 -1.271 1.00 0.00 H new ATOM 0 HE ARG B 17 9.991 3.686 -2.391 1.00 0.00 H new ATOM 0 HH11 ARG B 17 7.830 6.188 -1.100 1.00 0.00 H new ATOM 0 HH12 ARG B 17 6.465 5.669 -2.093 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.218 3.054 -3.661 1.00 0.00 H new ATOM 0 HH22 ARG B 17 6.682 3.916 -3.525 1.00 0.00 H new ATOM 173 N ILE B 18 14.534 4.973 0.600 1.00 0.00 N ATOM 174 CA ILE B 18 15.229 5.744 1.624 1.00 0.00 C ATOM 175 C ILE B 18 14.677 7.164 1.659 1.00 0.00 C ATOM 176 O ILE B 18 13.762 7.500 0.908 1.00 0.00 O ATOM 177 CB ILE B 18 16.744 5.737 1.356 1.00 0.00 C ATOM 178 CG1 ILE B 18 17.090 6.585 0.124 1.00 0.00 C ATOM 179 CG2 ILE B 18 17.252 4.308 1.180 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.602 6.752 -0.019 1.00 0.00 C ATOM 0 H ILE B 18 14.481 5.451 -0.300 1.00 0.00 H new ATOM 0 HA ILE B 18 15.062 5.288 2.600 1.00 0.00 H new ATOM 0 HB ILE B 18 17.240 6.178 2.221 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.686 6.113 -0.772 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.619 7.564 0.208 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.325 4.324 0.991 1.00 0.00 H new ATOM 0 HG22 ILE B 18 17.051 3.736 2.086 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.742 3.842 0.337 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.820 7.357 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.999 7.246 0.868 1.00 0.00 H new ATOM 0 HD13 ILE B 18 19.068 5.772 -0.127 1.00 0.00 H new ATOM 192 N TYR B 19 15.243 7.991 2.539 1.00 0.00 N ATOM 193 CA TYR B 19 14.766 9.341 2.812 1.00 0.00 C ATOM 194 C TYR B 19 15.790 10.438 2.546 1.00 0.00 C ATOM 195 O TYR B 19 16.996 10.223 2.670 1.00 0.00 O ATOM 196 CB TYR B 19 14.131 9.411 4.206 1.00 0.00 C ATOM 197 CG TYR B 19 14.250 10.751 4.901 1.00 0.00 C ATOM 198 CD1 TYR B 19 13.243 11.720 4.772 1.00 0.00 C ATOM 199 CD2 TYR B 19 15.379 11.014 5.691 1.00 0.00 C ATOM 200 CE1 TYR B 19 13.359 12.945 5.450 1.00 0.00 C ATOM 201 CE2 TYR B 19 15.503 12.235 6.367 1.00 0.00 C ATOM 202 CZ TYR B 19 14.491 13.207 6.248 1.00 0.00 C ATOM 203 OH TYR B 19 14.602 14.391 6.905 1.00 0.00 O ATOM 0 H TYR B 19 16.061 7.733 3.091 1.00 0.00 H new ATOM 0 HA TYR B 19 13.986 9.555 2.082 1.00 0.00 H new ATOM 0 HB2 TYR B 19 13.075 9.157 4.120 1.00 0.00 H new ATOM 0 HB3 TYR B 19 14.592 8.650 4.836 1.00 0.00 H new ATOM 0 HD1 TYR B 19 12.380 11.524 4.153 1.00 0.00 H new ATOM 0 HD2 TYR B 19 16.158 10.271 5.779 1.00 0.00 H new ATOM 0 HE1 TYR B 19 12.580 13.687 5.360 1.00 0.00 H new ATOM 0 HE2 TYR B 19 16.372 12.430 6.978 1.00 0.00 H new ATOM 0 HH TYR B 19 13.945 14.425 7.631 1.00 0.00 H new ATOM 213 N VAL B 20 15.296 11.622 2.179 1.00 0.00 N ATOM 214 CA VAL B 20 16.114 12.792 1.901 1.00 0.00 C ATOM 215 C VAL B 20 15.414 14.028 2.448 1.00 0.00 C ATOM 216 O VAL B 20 14.192 14.125 2.370 1.00 0.00 O ATOM 217 CB VAL B 20 16.358 12.917 0.390 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.288 14.097 0.101 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.973 11.638 -0.177 1.00 0.00 C ATOM 0 H VAL B 20 14.297 11.792 2.066 1.00 0.00 H new ATOM 0 HA VAL B 20 17.084 12.692 2.388 1.00 0.00 H new ATOM 0 HB VAL B 20 15.394 13.084 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.453 14.175 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.832 15.017 0.466 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.242 13.940 0.604 1.00 0.00 H new ATOM 0 HG21 VAL B 20 17.134 11.756 -1.249 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.926 11.444 0.314 1.00 0.00 H new ATOM 0 HG23 VAL B 20 16.297 10.801 -0.002 1.00 0.00 H new ATOM 229 N GLY B 21 16.177 14.979 2.999 1.00 0.00 N ATOM 230 CA GLY B 21 15.588 16.151 3.623 1.00 0.00 C ATOM 231 C GLY B 21 16.564 17.317 3.712 1.00 0.00 C ATOM 232 O GLY B 21 17.709 17.225 3.265 1.00 0.00 O ATOM 0 H GLY B 21 17.196 14.953 3.022 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.710 16.459 3.055 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.245 15.892 4.624 1.00 0.00 H new ATOM 236 N ASN B 22 16.097 18.425 4.296 1.00 0.00 N ATOM 237 CA ASN B 22 16.847 19.673 4.409 1.00 0.00 C ATOM 238 C ASN B 22 17.297 20.180 3.036 1.00 0.00 C ATOM 239 O ASN B 22 18.293 20.896 2.940 1.00 0.00 O ATOM 240 CB ASN B 22 18.028 19.495 5.367 1.00 0.00 C ATOM 241 CG ASN B 22 18.582 20.845 5.804 1.00 0.00 C ATOM 242 OD1 ASN B 22 17.841 21.703 6.272 1.00 0.00 O ATOM 243 ND2 ASN B 22 19.889 21.037 5.654 1.00 0.00 N ATOM 0 H ASN B 22 15.167 18.477 4.711 1.00 0.00 H new ATOM 0 HA ASN B 22 16.189 20.436 4.825 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.710 18.928 6.242 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.813 18.916 4.880 1.00 0.00 H new ATOM 0 HD21 ASN B 22 20.309 21.924 5.932 1.00 0.00 H new ATOM 0 HD22 ASN B 22 20.471 20.298 5.260 1.00 0.00 H new ATOM 250 N LEU B 23 16.576 19.817 1.971 1.00 0.00 N ATOM 251 CA LEU B 23 16.931 20.246 0.624 1.00 0.00 C ATOM 252 C LEU B 23 16.758 21.762 0.501 1.00 0.00 C ATOM 253 O LEU B 23 15.689 22.284 0.818 1.00 0.00 O ATOM 254 CB LEU B 23 16.043 19.528 -0.398 1.00 0.00 C ATOM 255 CG LEU B 23 16.274 18.012 -0.387 1.00 0.00 C ATOM 256 CD1 LEU B 23 15.259 17.352 -1.313 1.00 0.00 C ATOM 257 CD2 LEU B 23 17.685 17.683 -0.878 1.00 0.00 C ATOM 0 H LEU B 23 15.745 19.228 2.020 1.00 0.00 H new ATOM 0 HA LEU B 23 17.973 19.993 0.427 1.00 0.00 H new ATOM 0 HB2 LEU B 23 14.996 19.738 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU B 23 16.246 19.920 -1.395 1.00 0.00 H new ATOM 0 HG LEU B 23 16.159 17.641 0.632 1.00 0.00 H new ATOM 0 HD11 LEU B 23 15.414 16.273 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU B 23 14.250 17.574 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU B 23 15.386 17.737 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.833 16.603 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU B 23 17.812 18.053 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU B 23 18.417 18.158 -0.225 1.00 0.00 H new ATOM 366 N LYS B 30 14.795 17.651 -10.766 1.00 0.00 N ATOM 367 CA LYS B 30 15.542 16.636 -11.494 1.00 0.00 C ATOM 368 C LYS B 30 16.813 16.243 -10.743 1.00 0.00 C ATOM 369 O LYS B 30 17.358 15.163 -10.972 1.00 0.00 O ATOM 370 CB LYS B 30 15.865 17.187 -12.890 1.00 0.00 C ATOM 371 CG LYS B 30 16.574 16.154 -13.773 1.00 0.00 C ATOM 372 CD LYS B 30 15.678 14.940 -14.014 1.00 0.00 C ATOM 373 CE LYS B 30 16.390 13.960 -14.943 1.00 0.00 C ATOM 374 NZ LYS B 30 15.528 12.801 -15.243 1.00 0.00 N ATOM 0 HA LYS B 30 14.942 15.731 -11.587 1.00 0.00 H new ATOM 0 HB2 LYS B 30 14.942 17.504 -13.375 1.00 0.00 H new ATOM 0 HB3 LYS B 30 16.494 18.072 -12.792 1.00 0.00 H new ATOM 0 HG2 LYS B 30 16.843 16.608 -14.727 1.00 0.00 H new ATOM 0 HG3 LYS B 30 17.502 15.838 -13.297 1.00 0.00 H new ATOM 0 HD2 LYS B 30 15.442 14.454 -13.067 1.00 0.00 H new ATOM 0 HD3 LYS B 30 14.732 15.254 -14.455 1.00 0.00 H new ATOM 0 HE2 LYS B 30 16.664 14.464 -15.870 1.00 0.00 H new ATOM 0 HE3 LYS B 30 17.316 13.620 -14.479 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 16.093 12.058 -15.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 15.123 12.432 -14.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 14.760 13.095 -15.880 1.00 0.00 H new ATOM 388 N ASP B 31 17.293 17.104 -9.840 1.00 0.00 N ATOM 389 CA ASP B 31 18.529 16.841 -9.106 1.00 0.00 C ATOM 390 C ASP B 31 18.383 15.632 -8.179 1.00 0.00 C ATOM 391 O ASP B 31 19.375 15.001 -7.814 1.00 0.00 O ATOM 392 CB ASP B 31 18.922 18.080 -8.298 1.00 0.00 C ATOM 393 CG ASP B 31 19.216 19.289 -9.184 1.00 0.00 C ATOM 394 OD1 ASP B 31 19.260 20.409 -8.626 1.00 0.00 O ATOM 395 OD2 ASP B 31 19.393 19.089 -10.409 1.00 0.00 O ATOM 0 H ASP B 31 16.843 17.988 -9.602 1.00 0.00 H new ATOM 0 HA ASP B 31 19.312 16.613 -9.829 1.00 0.00 H new ATOM 0 HB2 ASP B 31 18.117 18.328 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP B 31 19.802 17.853 -7.696 1.00 0.00 H new ATOM 400 N ILE B 32 17.143 15.309 -7.801 1.00 0.00 N ATOM 401 CA ILE B 32 16.861 14.163 -6.945 1.00 0.00 C ATOM 402 C ILE B 32 17.091 12.866 -7.719 1.00 0.00 C ATOM 403 O ILE B 32 17.312 11.818 -7.115 1.00 0.00 O ATOM 404 CB ILE B 32 15.416 14.268 -6.421 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.331 15.217 -5.219 1.00 0.00 C ATOM 406 CG2 ILE B 32 14.893 12.909 -5.959 1.00 0.00 C ATOM 407 CD1 ILE B 32 15.648 16.664 -5.602 1.00 0.00 C ATOM 0 H ILE B 32 16.314 15.834 -8.080 1.00 0.00 H new ATOM 0 HA ILE B 32 17.536 14.157 -6.089 1.00 0.00 H new ATOM 0 HB ILE B 32 14.816 14.645 -7.250 1.00 0.00 H new ATOM 0 HG12 ILE B 32 14.331 15.168 -4.789 1.00 0.00 H new ATOM 0 HG13 ILE B 32 16.026 14.886 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE B 32 13.871 13.017 -5.595 1.00 0.00 H new ATOM 0 HG22 ILE B 32 14.908 12.210 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE B 32 15.526 12.529 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE B 32 15.575 17.298 -4.719 1.00 0.00 H new ATOM 0 HD12 ILE B 32 16.658 16.720 -6.007 1.00 0.00 H new ATOM 0 HD13 ILE B 32 14.937 17.006 -6.354 1.00 0.00 H new ATOM 419 N GLU B 33 17.037 12.925 -9.053 1.00 0.00 N ATOM 420 CA GLU B 33 17.215 11.748 -9.886 1.00 0.00 C ATOM 421 C GLU B 33 18.654 11.642 -10.373 1.00 0.00 C ATOM 422 O GLU B 33 19.195 10.546 -10.439 1.00 0.00 O ATOM 423 CB GLU B 33 16.265 11.825 -11.085 1.00 0.00 C ATOM 424 CG GLU B 33 14.809 11.873 -10.611 1.00 0.00 C ATOM 425 CD GLU B 33 13.836 11.848 -11.791 1.00 0.00 C ATOM 426 OE1 GLU B 33 12.614 11.807 -11.522 1.00 0.00 O ATOM 427 OE2 GLU B 33 14.321 11.867 -12.944 1.00 0.00 O ATOM 0 H GLU B 33 16.870 13.785 -9.575 1.00 0.00 H new ATOM 0 HA GLU B 33 16.988 10.862 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU B 33 16.490 12.711 -11.679 1.00 0.00 H new ATOM 0 HB3 GLU B 33 16.415 10.961 -11.732 1.00 0.00 H new ATOM 0 HG2 GLU B 33 14.610 11.025 -9.956 1.00 0.00 H new ATOM 0 HG3 GLU B 33 14.646 12.776 -10.022 1.00 0.00 H new ATOM 434 N ASP B 34 19.281 12.773 -10.711 1.00 0.00 N ATOM 435 CA ASP B 34 20.624 12.759 -11.278 1.00 0.00 C ATOM 436 C ASP B 34 21.690 12.298 -10.292 1.00 0.00 C ATOM 437 O ASP B 34 22.540 11.479 -10.636 1.00 0.00 O ATOM 438 CB ASP B 34 20.969 14.133 -11.862 1.00 0.00 C ATOM 439 CG ASP B 34 20.188 14.437 -13.141 1.00 0.00 C ATOM 440 OD1 ASP B 34 19.437 13.545 -13.599 1.00 0.00 O ATOM 441 OD2 ASP B 34 20.349 15.566 -13.653 1.00 0.00 O ATOM 0 H ASP B 34 18.878 13.704 -10.601 1.00 0.00 H new ATOM 0 HA ASP B 34 20.620 12.020 -12.079 1.00 0.00 H new ATOM 0 HB2 ASP B 34 20.759 14.903 -11.120 1.00 0.00 H new ATOM 0 HB3 ASP B 34 22.037 14.177 -12.073 1.00 0.00 H new ATOM 446 N VAL B 35 21.652 12.815 -9.065 1.00 0.00 N ATOM 447 CA VAL B 35 22.649 12.468 -8.063 1.00 0.00 C ATOM 448 C VAL B 35 22.419 11.038 -7.581 1.00 0.00 C ATOM 449 O VAL B 35 23.365 10.274 -7.416 1.00 0.00 O ATOM 450 CB VAL B 35 22.577 13.458 -6.898 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.598 13.088 -5.824 1.00 0.00 C ATOM 452 CG2 VAL B 35 22.863 14.874 -7.396 1.00 0.00 C ATOM 0 H VAL B 35 20.942 13.474 -8.745 1.00 0.00 H new ATOM 0 HA VAL B 35 23.645 12.526 -8.501 1.00 0.00 H new ATOM 0 HB VAL B 35 21.575 13.416 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL B 35 23.535 13.801 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL B 35 23.388 12.085 -5.452 1.00 0.00 H new ATOM 0 HG13 VAL B 35 24.601 13.114 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.810 15.571 -6.560 1.00 0.00 H new ATOM 0 HG22 VAL B 35 23.860 14.911 -7.836 1.00 0.00 H new ATOM 0 HG23 VAL B 35 22.124 15.151 -8.148 1.00 0.00 H new ATOM 462 N PHE B 36 21.156 10.671 -7.356 1.00 0.00 N ATOM 463 CA PHE B 36 20.839 9.350 -6.856 1.00 0.00 C ATOM 464 C PHE B 36 20.961 8.262 -7.920 1.00 0.00 C ATOM 465 O PHE B 36 21.213 7.105 -7.588 1.00 0.00 O ATOM 466 CB PHE B 36 19.486 9.352 -6.151 1.00 0.00 C ATOM 467 CG PHE B 36 19.526 10.044 -4.805 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.563 9.291 -3.621 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.533 11.447 -4.737 1.00 0.00 C ATOM 470 CE1 PHE B 36 19.619 9.940 -2.377 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.584 12.095 -3.495 1.00 0.00 C ATOM 472 CZ PHE B 36 19.633 11.340 -2.316 1.00 0.00 C ATOM 0 H PHE B 36 20.347 11.272 -7.514 1.00 0.00 H new ATOM 0 HA PHE B 36 21.593 9.092 -6.112 1.00 0.00 H new ATOM 0 HB2 PHE B 36 18.751 9.846 -6.787 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.151 8.324 -6.016 1.00 0.00 H new ATOM 0 HD1 PHE B 36 19.548 8.212 -3.667 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.499 12.029 -5.646 1.00 0.00 H new ATOM 0 HE1 PHE B 36 19.651 9.360 -1.467 1.00 0.00 H new ATOM 0 HE2 PHE B 36 19.586 13.174 -3.447 1.00 0.00 H new ATOM 0 HZ PHE B 36 19.682 11.838 -1.359 1.00 0.00 H new ATOM 482 N SER B 37 20.788 8.624 -9.195 1.00 0.00 N ATOM 483 CA SER B 37 20.997 7.686 -10.291 1.00 0.00 C ATOM 484 C SER B 37 22.484 7.377 -10.452 1.00 0.00 C ATOM 485 O SER B 37 22.854 6.275 -10.858 1.00 0.00 O ATOM 486 CB SER B 37 20.425 8.264 -11.586 1.00 0.00 C ATOM 487 OG SER B 37 20.693 7.393 -12.662 1.00 0.00 O ATOM 0 H SER B 37 20.504 9.559 -9.488 1.00 0.00 H new ATOM 0 HA SER B 37 20.478 6.755 -10.063 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.350 8.410 -11.485 1.00 0.00 H new ATOM 0 HB3 SER B 37 20.863 9.243 -11.782 1.00 0.00 H new ATOM 0 HG SER B 37 20.322 7.769 -13.488 1.00 0.00 H new ATOM 493 N LYS B 38 23.346 8.351 -10.127 1.00 0.00 N ATOM 494 CA LYS B 38 24.784 8.147 -10.167 1.00 0.00 C ATOM 495 C LYS B 38 25.210 7.218 -9.032 1.00 0.00 C ATOM 496 O LYS B 38 26.174 6.469 -9.176 1.00 0.00 O ATOM 497 CB LYS B 38 25.485 9.508 -10.063 1.00 0.00 C ATOM 498 CG LYS B 38 27.012 9.370 -10.021 1.00 0.00 C ATOM 499 CD LYS B 38 27.532 8.721 -11.309 1.00 0.00 C ATOM 500 CE LYS B 38 29.062 8.653 -11.284 1.00 0.00 C ATOM 501 NZ LYS B 38 29.553 7.820 -10.171 1.00 0.00 N ATOM 0 H LYS B 38 23.063 9.286 -9.834 1.00 0.00 H new ATOM 0 HA LYS B 38 25.069 7.677 -11.108 1.00 0.00 H new ATOM 0 HB2 LYS B 38 25.201 10.127 -10.914 1.00 0.00 H new ATOM 0 HB3 LYS B 38 25.143 10.023 -9.165 1.00 0.00 H new ATOM 0 HG2 LYS B 38 27.468 10.352 -9.893 1.00 0.00 H new ATOM 0 HG3 LYS B 38 27.304 8.768 -9.161 1.00 0.00 H new ATOM 0 HD2 LYS B 38 27.117 7.718 -11.413 1.00 0.00 H new ATOM 0 HD3 LYS B 38 27.200 9.295 -12.174 1.00 0.00 H new ATOM 0 HE2 LYS B 38 29.424 8.248 -12.229 1.00 0.00 H new ATOM 0 HE3 LYS B 38 29.470 9.660 -11.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 30.563 7.615 -10.310 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 29.423 8.328 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 29.020 6.928 -10.144 1.00 0.00 H new ATOM 515 N TYR B 39 24.490 7.266 -7.905 1.00 0.00 N ATOM 516 CA TYR B 39 24.759 6.399 -6.767 1.00 0.00 C ATOM 517 C TYR B 39 24.110 5.015 -6.808 1.00 0.00 C ATOM 518 O TYR B 39 24.479 4.149 -6.015 1.00 0.00 O ATOM 519 CB TYR B 39 24.483 7.129 -5.454 1.00 0.00 C ATOM 520 CG TYR B 39 25.639 7.983 -4.985 1.00 0.00 C ATOM 521 CD1 TYR B 39 26.386 7.574 -3.868 1.00 0.00 C ATOM 522 CD2 TYR B 39 25.977 9.168 -5.657 1.00 0.00 C ATOM 523 CE1 TYR B 39 27.460 8.348 -3.417 1.00 0.00 C ATOM 524 CE2 TYR B 39 27.053 9.947 -5.209 1.00 0.00 C ATOM 525 CZ TYR B 39 27.800 9.541 -4.083 1.00 0.00 C ATOM 526 OH TYR B 39 28.840 10.300 -3.640 1.00 0.00 O ATOM 0 H TYR B 39 23.709 7.906 -7.763 1.00 0.00 H new ATOM 0 HA TYR B 39 25.823 6.172 -6.836 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.602 7.759 -5.576 1.00 0.00 H new ATOM 0 HB3 TYR B 39 24.246 6.396 -4.683 1.00 0.00 H new ATOM 0 HD1 TYR B 39 26.130 6.658 -3.356 1.00 0.00 H new ATOM 0 HD2 TYR B 39 25.408 9.480 -6.520 1.00 0.00 H new ATOM 0 HE1 TYR B 39 28.030 8.030 -2.556 1.00 0.00 H new ATOM 0 HE2 TYR B 39 27.311 10.859 -5.727 1.00 0.00 H new ATOM 0 HH TYR B 39 28.938 11.088 -4.215 1.00 0.00 H new ATOM 536 N GLY B 40 23.154 4.790 -7.714 1.00 0.00 N ATOM 537 CA GLY B 40 22.508 3.487 -7.818 1.00 0.00 C ATOM 538 C GLY B 40 21.341 3.497 -8.796 1.00 0.00 C ATOM 539 O GLY B 40 20.938 4.551 -9.290 1.00 0.00 O ATOM 0 H GLY B 40 22.816 5.487 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.240 2.745 -8.137 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.152 3.181 -6.834 1.00 0.00 H new ATOM 543 N ALA B 41 20.797 2.314 -9.079 1.00 0.00 N ATOM 544 CA ALA B 41 19.695 2.161 -10.013 1.00 0.00 C ATOM 545 C ALA B 41 18.373 2.542 -9.345 1.00 0.00 C ATOM 546 O ALA B 41 17.833 1.775 -8.542 1.00 0.00 O ATOM 547 CB ALA B 41 19.662 0.718 -10.513 1.00 0.00 C ATOM 0 H ALA B 41 21.112 1.437 -8.664 1.00 0.00 H new ATOM 0 HA ALA B 41 19.839 2.828 -10.863 1.00 0.00 H new ATOM 0 HB1 ALA B 41 18.837 0.595 -11.215 1.00 0.00 H new ATOM 0 HB2 ALA B 41 20.602 0.485 -11.013 1.00 0.00 H new ATOM 0 HB3 ALA B 41 19.523 0.043 -9.668 1.00 0.00 H new ATOM 553 N ILE B 42 17.847 3.724 -9.679 1.00 0.00 N ATOM 554 CA ILE B 42 16.558 4.183 -9.181 1.00 0.00 C ATOM 555 C ILE B 42 15.438 3.449 -9.914 1.00 0.00 C ATOM 556 O ILE B 42 15.583 3.114 -11.087 1.00 0.00 O ATOM 557 CB ILE B 42 16.430 5.698 -9.386 1.00 0.00 C ATOM 558 CG1 ILE B 42 17.508 6.422 -8.578 1.00 0.00 C ATOM 559 CG2 ILE B 42 15.033 6.184 -8.980 1.00 0.00 C ATOM 560 CD1 ILE B 42 17.457 7.928 -8.841 1.00 0.00 C ATOM 0 H ILE B 42 18.308 4.386 -10.303 1.00 0.00 H new ATOM 0 HA ILE B 42 16.482 3.969 -8.115 1.00 0.00 H new ATOM 0 HB ILE B 42 16.570 5.923 -10.443 1.00 0.00 H new ATOM 0 HG12 ILE B 42 17.365 6.228 -7.515 1.00 0.00 H new ATOM 0 HG13 ILE B 42 18.491 6.034 -8.844 1.00 0.00 H new ATOM 0 HG21 ILE B 42 14.964 7.261 -9.133 1.00 0.00 H new ATOM 0 HG22 ILE B 42 14.282 5.682 -9.589 1.00 0.00 H new ATOM 0 HG23 ILE B 42 14.860 5.955 -7.928 1.00 0.00 H new ATOM 0 HD11 ILE B 42 18.231 8.426 -8.257 1.00 0.00 H new ATOM 0 HD12 ILE B 42 17.623 8.118 -9.901 1.00 0.00 H new ATOM 0 HD13 ILE B 42 16.480 8.315 -8.552 1.00 0.00 H new ATOM 572 N ARG B 43 14.318 3.200 -9.222 1.00 0.00 N ATOM 573 CA ARG B 43 13.139 2.593 -9.830 1.00 0.00 C ATOM 574 C ARG B 43 11.880 3.380 -9.491 1.00 0.00 C ATOM 575 O ARG B 43 10.872 3.248 -10.183 1.00 0.00 O ATOM 576 CB ARG B 43 13.019 1.134 -9.375 1.00 0.00 C ATOM 577 CG ARG B 43 14.218 0.303 -9.843 1.00 0.00 C ATOM 578 CD ARG B 43 14.248 0.199 -11.371 1.00 0.00 C ATOM 579 NE ARG B 43 15.458 -0.498 -11.828 1.00 0.00 N ATOM 580 CZ ARG B 43 16.234 -0.080 -12.833 1.00 0.00 C ATOM 581 NH1 ARG B 43 15.942 1.030 -13.506 1.00 0.00 N ATOM 582 NH2 ARG B 43 17.308 -0.784 -13.169 1.00 0.00 N ATOM 0 H ARG B 43 14.209 3.414 -8.231 1.00 0.00 H new ATOM 0 HA ARG B 43 13.251 2.615 -10.914 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.949 1.095 -8.288 1.00 0.00 H new ATOM 0 HB3 ARG B 43 12.099 0.703 -9.769 1.00 0.00 H new ATOM 0 HG2 ARG B 43 15.142 0.758 -9.487 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.166 -0.695 -9.408 1.00 0.00 H new ATOM 0 HD2 ARG B 43 13.363 -0.334 -11.720 1.00 0.00 H new ATOM 0 HD3 ARG B 43 14.212 1.197 -11.808 1.00 0.00 H new ATOM 0 HE ARG B 43 15.723 -1.357 -11.347 1.00 0.00 H new ATOM 0 HH11 ARG B 43 15.116 1.575 -13.257 1.00 0.00 H new ATOM 0 HH12 ARG B 43 16.544 1.336 -14.270 1.00 0.00 H new ATOM 0 HH21 ARG B 43 17.537 -1.639 -12.661 1.00 0.00 H new ATOM 0 HH22 ARG B 43 17.904 -0.470 -13.935 1.00 0.00 H new ATOM 596 N ASP B 44 11.933 4.199 -8.435 1.00 0.00 N ATOM 597 CA ASP B 44 10.839 5.091 -8.060 1.00 0.00 C ATOM 598 C ASP B 44 11.300 6.326 -7.288 1.00 0.00 C ATOM 599 O ASP B 44 12.357 6.314 -6.660 1.00 0.00 O ATOM 600 CB ASP B 44 9.739 4.335 -7.301 1.00 0.00 C ATOM 601 CG ASP B 44 8.757 3.635 -8.244 1.00 0.00 C ATOM 602 OD1 ASP B 44 8.378 4.265 -9.257 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.393 2.479 -7.938 1.00 0.00 O ATOM 0 H ASP B 44 12.741 4.259 -7.816 1.00 0.00 H new ATOM 0 HA ASP B 44 10.418 5.462 -8.995 1.00 0.00 H new ATOM 0 HB2 ASP B 44 10.197 3.596 -6.643 1.00 0.00 H new ATOM 0 HB3 ASP B 44 9.194 5.033 -6.666 1.00 0.00 H new ATOM 608 N ILE B 45 10.493 7.388 -7.344 1.00 0.00 N ATOM 609 CA ILE B 45 10.762 8.649 -6.656 1.00 0.00 C ATOM 610 C ILE B 45 9.480 9.146 -5.998 1.00 0.00 C ATOM 611 O ILE B 45 8.380 8.840 -6.459 1.00 0.00 O ATOM 612 CB ILE B 45 11.296 9.690 -7.655 1.00 0.00 C ATOM 613 CG1 ILE B 45 12.731 9.385 -8.090 1.00 0.00 C ATOM 614 CG2 ILE B 45 11.252 11.102 -7.062 1.00 0.00 C ATOM 615 CD1 ILE B 45 13.717 9.362 -6.917 1.00 0.00 C ATOM 0 H ILE B 45 9.623 7.394 -7.876 1.00 0.00 H new ATOM 0 HA ILE B 45 11.519 8.493 -5.887 1.00 0.00 H new ATOM 0 HB ILE B 45 10.644 9.637 -8.527 1.00 0.00 H new ATOM 0 HG12 ILE B 45 12.754 8.420 -8.597 1.00 0.00 H new ATOM 0 HG13 ILE B 45 13.053 10.133 -8.814 1.00 0.00 H new ATOM 0 HG21 ILE B 45 11.636 11.815 -7.792 1.00 0.00 H new ATOM 0 HG22 ILE B 45 10.223 11.359 -6.810 1.00 0.00 H new ATOM 0 HG23 ILE B 45 11.866 11.138 -6.162 1.00 0.00 H new ATOM 0 HD11 ILE B 45 14.718 9.141 -7.287 1.00 0.00 H new ATOM 0 HD12 ILE B 45 13.719 10.334 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE B 45 13.416 8.595 -6.204 1.00 0.00 H new ATOM 627 N ASP B 46 9.622 9.915 -4.919 1.00 0.00 N ATOM 628 CA ASP B 46 8.485 10.476 -4.215 1.00 0.00 C ATOM 629 C ASP B 46 8.852 11.855 -3.664 1.00 0.00 C ATOM 630 O ASP B 46 8.586 12.165 -2.504 1.00 0.00 O ATOM 631 CB ASP B 46 8.055 9.505 -3.118 1.00 0.00 C ATOM 632 CG ASP B 46 6.800 9.971 -2.391 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.073 10.817 -2.961 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.578 9.470 -1.267 1.00 0.00 O ATOM 0 H ASP B 46 10.526 10.162 -4.515 1.00 0.00 H new ATOM 0 HA ASP B 46 7.640 10.614 -4.890 1.00 0.00 H new ATOM 0 HB2 ASP B 46 7.875 8.523 -3.556 1.00 0.00 H new ATOM 0 HB3 ASP B 46 8.867 9.390 -2.399 1.00 0.00 H new ATOM 639 N LEU B 47 9.472 12.687 -4.508 1.00 0.00 N ATOM 640 CA LEU B 47 9.782 14.065 -4.150 1.00 0.00 C ATOM 641 C LEU B 47 8.494 14.808 -3.784 1.00 0.00 C ATOM 642 O LEU B 47 7.492 14.707 -4.496 1.00 0.00 O ATOM 643 CB LEU B 47 10.509 14.736 -5.324 1.00 0.00 C ATOM 644 CG LEU B 47 10.599 16.259 -5.168 1.00 0.00 C ATOM 645 CD1 LEU B 47 11.466 16.645 -3.971 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.224 16.847 -6.430 1.00 0.00 C ATOM 0 H LEU B 47 9.768 12.423 -5.448 1.00 0.00 H new ATOM 0 HA LEU B 47 10.437 14.091 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.514 14.323 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU B 47 9.988 14.500 -6.252 1.00 0.00 H new ATOM 0 HG LEU B 47 9.593 16.648 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU B 47 11.509 17.731 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU B 47 11.035 16.229 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU B 47 12.473 16.251 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU B 47 11.293 17.930 -6.331 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.222 16.431 -6.570 1.00 0.00 H new ATOM 0 HD23 LEU B 47 10.604 16.600 -7.292 1.00 0.00 H new ATOM 658 N LYS B 48 8.527 15.552 -2.675 1.00 0.00 N ATOM 659 CA LYS B 48 7.404 16.339 -2.201 1.00 0.00 C ATOM 660 C LYS B 48 7.828 17.784 -1.951 1.00 0.00 C ATOM 661 O LYS B 48 8.955 18.041 -1.528 1.00 0.00 O ATOM 662 CB LYS B 48 6.881 15.723 -0.906 1.00 0.00 C ATOM 663 CG LYS B 48 5.978 14.512 -1.155 1.00 0.00 C ATOM 664 CD LYS B 48 5.447 14.029 0.199 1.00 0.00 C ATOM 665 CE LYS B 48 4.437 12.893 0.034 1.00 0.00 C ATOM 666 NZ LYS B 48 5.056 11.697 -0.559 1.00 0.00 N ATOM 0 H LYS B 48 9.351 15.620 -2.078 1.00 0.00 H new ATOM 0 HA LYS B 48 6.620 16.338 -2.959 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.724 15.422 -0.285 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.326 16.477 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.152 14.782 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.535 13.717 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.279 13.690 0.817 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.978 14.861 0.724 1.00 0.00 H new ATOM 0 HE2 LYS B 48 4.012 12.639 1.005 1.00 0.00 H new ATOM 0 HE3 LYS B 48 3.613 13.227 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 4.369 10.916 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 5.348 11.905 -1.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 5.889 11.423 0.001 1.00 0.00 H new ATOM 680 N ASN B 49 6.922 18.732 -2.207 1.00 0.00 N ATOM 681 CA ASN B 49 7.144 20.125 -1.847 1.00 0.00 C ATOM 682 C ASN B 49 6.812 20.330 -0.365 1.00 0.00 C ATOM 683 O ASN B 49 7.151 21.366 0.206 1.00 0.00 O ATOM 684 CB ASN B 49 6.277 21.033 -2.726 1.00 0.00 C ATOM 685 CG ASN B 49 4.787 20.856 -2.446 1.00 0.00 C ATOM 686 OD1 ASN B 49 4.326 19.751 -2.171 1.00 0.00 O ATOM 687 ND2 ASN B 49 4.029 21.945 -2.515 1.00 0.00 N ATOM 0 H ASN B 49 6.027 18.554 -2.664 1.00 0.00 H new ATOM 0 HA ASN B 49 8.190 20.383 -2.011 1.00 0.00 H new ATOM 0 HB2 ASN B 49 6.556 22.073 -2.557 1.00 0.00 H new ATOM 0 HB3 ASN B 49 6.476 20.817 -3.776 1.00 0.00 H new ATOM 0 HD21 ASN B 49 3.027 21.881 -2.336 1.00 0.00 H new ATOM 0 HD22 ASN B 49 4.449 22.845 -2.746 1.00 0.00 H new ATOM 770 N PRO B 55 11.601 21.557 0.986 1.00 0.00 N ATOM 771 CA PRO B 55 11.292 20.306 0.313 1.00 0.00 C ATOM 772 C PRO B 55 12.032 19.121 0.935 1.00 0.00 C ATOM 773 O PRO B 55 13.036 19.297 1.625 1.00 0.00 O ATOM 774 CB PRO B 55 11.713 20.494 -1.146 1.00 0.00 C ATOM 775 CG PRO B 55 11.801 22.011 -1.327 1.00 0.00 C ATOM 776 CD PRO B 55 12.157 22.524 0.063 1.00 0.00 C ATOM 0 HA PRO B 55 10.230 20.078 0.405 1.00 0.00 H new ATOM 0 HB2 PRO B 55 12.671 20.014 -1.348 1.00 0.00 H new ATOM 0 HB3 PRO B 55 10.986 20.054 -1.829 1.00 0.00 H new ATOM 0 HG2 PRO B 55 12.560 22.283 -2.060 1.00 0.00 H new ATOM 0 HG3 PRO B 55 10.856 22.427 -1.677 1.00 0.00 H new ATOM 0 HD2 PRO B 55 13.237 22.608 0.186 1.00 0.00 H new ATOM 0 HD3 PRO B 55 11.739 23.516 0.234 1.00 0.00 H new ATOM 784 N PHE B 56 11.523 17.915 0.680 1.00 0.00 N ATOM 785 CA PHE B 56 12.130 16.678 1.153 1.00 0.00 C ATOM 786 C PHE B 56 11.604 15.593 0.210 1.00 0.00 C ATOM 787 O PHE B 56 10.655 15.827 -0.541 1.00 0.00 O ATOM 788 CB PHE B 56 11.673 16.422 2.594 1.00 0.00 C ATOM 789 CG PHE B 56 10.327 15.743 2.732 1.00 0.00 C ATOM 790 CD1 PHE B 56 9.169 16.353 2.232 1.00 0.00 C ATOM 791 CD2 PHE B 56 10.241 14.496 3.369 1.00 0.00 C ATOM 792 CE1 PHE B 56 7.926 15.709 2.361 1.00 0.00 C ATOM 793 CE2 PHE B 56 9.001 13.861 3.511 1.00 0.00 C ATOM 794 CZ PHE B 56 7.847 14.461 2.991 1.00 0.00 C ATOM 0 H PHE B 56 10.672 17.772 0.136 1.00 0.00 H new ATOM 0 HA PHE B 56 13.220 16.705 1.154 1.00 0.00 H new ATOM 0 HB2 PHE B 56 12.424 15.809 3.093 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.637 17.375 3.122 1.00 0.00 H new ATOM 0 HD1 PHE B 56 9.231 17.317 1.748 1.00 0.00 H new ATOM 0 HD2 PHE B 56 11.134 14.024 3.751 1.00 0.00 H new ATOM 0 HE1 PHE B 56 7.033 16.177 1.974 1.00 0.00 H new ATOM 0 HE2 PHE B 56 8.935 12.911 4.020 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.894 13.960 3.076 1.00 0.00 H new ATOM 804 N ALA B 57 12.207 14.403 0.235 1.00 0.00 N ATOM 805 CA ALA B 57 11.866 13.375 -0.735 1.00 0.00 C ATOM 806 C ALA B 57 12.187 11.976 -0.224 1.00 0.00 C ATOM 807 O ALA B 57 12.800 11.808 0.828 1.00 0.00 O ATOM 808 CB ALA B 57 12.643 13.639 -2.027 1.00 0.00 C ATOM 0 H ALA B 57 12.924 14.135 0.909 1.00 0.00 H new ATOM 0 HA ALA B 57 10.792 13.419 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.396 12.874 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.375 14.620 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.713 13.611 -1.820 1.00 0.00 H new ATOM 814 N PHE B 58 11.762 10.976 -0.995 1.00 0.00 N ATOM 815 CA PHE B 58 12.110 9.584 -0.775 1.00 0.00 C ATOM 816 C PHE B 58 12.569 9.002 -2.108 1.00 0.00 C ATOM 817 O PHE B 58 12.066 9.394 -3.162 1.00 0.00 O ATOM 818 CB PHE B 58 10.904 8.827 -0.211 1.00 0.00 C ATOM 819 CG PHE B 58 10.373 9.400 1.082 1.00 0.00 C ATOM 820 CD1 PHE B 58 10.965 9.032 2.300 1.00 0.00 C ATOM 821 CD2 PHE B 58 9.293 10.294 1.068 1.00 0.00 C ATOM 822 CE1 PHE B 58 10.479 9.561 3.500 1.00 0.00 C ATOM 823 CE2 PHE B 58 8.818 10.829 2.271 1.00 0.00 C ATOM 824 CZ PHE B 58 9.407 10.458 3.487 1.00 0.00 C ATOM 0 H PHE B 58 11.156 11.119 -1.803 1.00 0.00 H new ATOM 0 HA PHE B 58 12.915 9.492 -0.046 1.00 0.00 H new ATOM 0 HB2 PHE B 58 10.106 8.830 -0.953 1.00 0.00 H new ATOM 0 HB3 PHE B 58 11.184 7.786 -0.048 1.00 0.00 H new ATOM 0 HD1 PHE B 58 11.795 8.341 2.311 1.00 0.00 H new ATOM 0 HD2 PHE B 58 8.829 10.569 0.132 1.00 0.00 H new ATOM 0 HE1 PHE B 58 10.933 9.276 4.438 1.00 0.00 H new ATOM 0 HE2 PHE B 58 7.996 11.529 2.262 1.00 0.00 H new ATOM 0 HZ PHE B 58 9.033 10.865 4.415 1.00 0.00 H new ATOM 834 N VAL B 59 13.520 8.070 -2.065 1.00 0.00 N ATOM 835 CA VAL B 59 14.134 7.518 -3.265 1.00 0.00 C ATOM 836 C VAL B 59 14.162 6.004 -3.157 1.00 0.00 C ATOM 837 O VAL B 59 14.561 5.469 -2.126 1.00 0.00 O ATOM 838 CB VAL B 59 15.554 8.072 -3.410 1.00 0.00 C ATOM 839 CG1 VAL B 59 16.251 7.445 -4.618 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.528 9.592 -3.580 1.00 0.00 C ATOM 0 H VAL B 59 13.884 7.679 -1.196 1.00 0.00 H new ATOM 0 HA VAL B 59 13.557 7.800 -4.146 1.00 0.00 H new ATOM 0 HB VAL B 59 16.104 7.822 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL B 59 17.259 7.850 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL B 59 16.304 6.364 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.687 7.674 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.547 9.964 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL B 59 14.958 9.849 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL B 59 15.060 10.048 -2.707 1.00 0.00 H new ATOM 850 N GLU B 60 13.740 5.305 -4.210 1.00 0.00 N ATOM 851 CA GLU B 60 13.637 3.857 -4.173 1.00 0.00 C ATOM 852 C GLU B 60 14.587 3.206 -5.169 1.00 0.00 C ATOM 853 O GLU B 60 14.496 3.449 -6.371 1.00 0.00 O ATOM 854 CB GLU B 60 12.188 3.433 -4.413 1.00 0.00 C ATOM 855 CG GLU B 60 12.081 1.909 -4.475 1.00 0.00 C ATOM 856 CD GLU B 60 10.623 1.442 -4.471 1.00 0.00 C ATOM 857 OE1 GLU B 60 10.415 0.226 -4.695 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.737 2.295 -4.245 1.00 0.00 O ATOM 0 H GLU B 60 13.465 5.724 -5.098 1.00 0.00 H new ATOM 0 HA GLU B 60 13.936 3.511 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.553 3.816 -3.614 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.825 3.867 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.577 1.546 -5.375 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.605 1.473 -3.625 1.00 0.00 H new ATOM 865 N PHE B 61 15.491 2.375 -4.643 1.00 0.00 N ATOM 866 CA PHE B 61 16.444 1.625 -5.452 1.00 0.00 C ATOM 867 C PHE B 61 15.925 0.253 -5.873 1.00 0.00 C ATOM 868 O PHE B 61 14.980 -0.264 -5.275 1.00 0.00 O ATOM 869 CB PHE B 61 17.776 1.505 -4.715 1.00 0.00 C ATOM 870 CG PHE B 61 18.521 2.812 -4.598 1.00 0.00 C ATOM 871 CD1 PHE B 61 18.566 3.481 -3.367 1.00 0.00 C ATOM 872 CD2 PHE B 61 19.162 3.360 -5.718 1.00 0.00 C ATOM 873 CE1 PHE B 61 19.253 4.695 -3.255 1.00 0.00 C ATOM 874 CE2 PHE B 61 19.846 4.579 -5.606 1.00 0.00 C ATOM 875 CZ PHE B 61 19.895 5.246 -4.375 1.00 0.00 C ATOM 0 H PHE B 61 15.579 2.206 -3.641 1.00 0.00 H new ATOM 0 HA PHE B 61 16.591 2.186 -6.375 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.595 1.109 -3.716 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.406 0.783 -5.235 1.00 0.00 H new ATOM 0 HD1 PHE B 61 18.070 3.059 -2.505 1.00 0.00 H new ATOM 0 HD2 PHE B 61 19.129 2.844 -6.666 1.00 0.00 H new ATOM 0 HE1 PHE B 61 19.289 5.209 -2.306 1.00 0.00 H new ATOM 0 HE2 PHE B 61 20.336 5.004 -6.470 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.426 6.183 -4.288 1.00 0.00 H new ATOM 885 N GLU B 62 16.537 -0.345 -6.898 1.00 0.00 N ATOM 886 CA GLU B 62 16.206 -1.705 -7.309 1.00 0.00 C ATOM 887 C GLU B 62 16.724 -2.714 -6.277 1.00 0.00 C ATOM 888 O GLU B 62 16.095 -3.748 -6.056 1.00 0.00 O ATOM 889 CB GLU B 62 16.815 -1.980 -8.684 1.00 0.00 C ATOM 890 CG GLU B 62 16.512 -3.417 -9.123 1.00 0.00 C ATOM 891 CD GLU B 62 16.957 -3.684 -10.557 1.00 0.00 C ATOM 892 OE1 GLU B 62 16.878 -4.864 -10.971 1.00 0.00 O ATOM 893 OE2 GLU B 62 17.372 -2.715 -11.232 1.00 0.00 O ATOM 0 H GLU B 62 17.267 0.096 -7.458 1.00 0.00 H new ATOM 0 HA GLU B 62 15.123 -1.811 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.413 -1.277 -9.414 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.893 -1.823 -8.650 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.014 -4.114 -8.452 1.00 0.00 H new ATOM 0 HG3 GLU B 62 15.442 -3.605 -9.035 1.00 0.00 H new ATOM 900 N ASP B 63 17.864 -2.400 -5.650 1.00 0.00 N ATOM 901 CA ASP B 63 18.508 -3.260 -4.662 1.00 0.00 C ATOM 902 C ASP B 63 18.833 -2.501 -3.374 1.00 0.00 C ATOM 903 O ASP B 63 19.077 -1.294 -3.420 1.00 0.00 O ATOM 904 CB ASP B 63 19.782 -3.882 -5.246 1.00 0.00 C ATOM 905 CG ASP B 63 19.509 -4.951 -6.304 1.00 0.00 C ATOM 906 OD1 ASP B 63 20.462 -5.248 -7.064 1.00 0.00 O ATOM 907 OD2 ASP B 63 18.370 -5.464 -6.346 1.00 0.00 O ATOM 0 H ASP B 63 18.368 -1.530 -5.820 1.00 0.00 H new ATOM 0 HA ASP B 63 17.805 -4.054 -4.410 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.393 -3.094 -5.686 1.00 0.00 H new ATOM 0 HB3 ASP B 63 20.365 -4.323 -4.437 1.00 0.00 H new ATOM 912 N PRO B 64 18.844 -3.189 -2.227 1.00 0.00 N ATOM 913 CA PRO B 64 19.209 -2.601 -0.950 1.00 0.00 C ATOM 914 C PRO B 64 20.710 -2.309 -0.908 1.00 0.00 C ATOM 915 O PRO B 64 21.179 -1.587 -0.030 1.00 0.00 O ATOM 916 CB PRO B 64 18.823 -3.644 0.098 1.00 0.00 C ATOM 917 CG PRO B 64 18.886 -4.973 -0.662 1.00 0.00 C ATOM 918 CD PRO B 64 18.511 -4.594 -2.092 1.00 0.00 C ATOM 0 HA PRO B 64 18.703 -1.651 -0.774 1.00 0.00 H new ATOM 0 HB2 PRO B 64 19.511 -3.634 0.943 1.00 0.00 H new ATOM 0 HB3 PRO B 64 17.826 -3.459 0.497 1.00 0.00 H new ATOM 0 HG2 PRO B 64 19.881 -5.415 -0.613 1.00 0.00 H new ATOM 0 HG3 PRO B 64 18.192 -5.704 -0.247 1.00 0.00 H new ATOM 0 HD2 PRO B 64 19.061 -5.198 -2.814 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.450 -4.764 -2.277 1.00 0.00 H new ATOM 926 N ARG B 65 21.462 -2.874 -1.860 1.00 0.00 N ATOM 927 CA ARG B 65 22.902 -2.674 -1.967 1.00 0.00 C ATOM 928 C ARG B 65 23.218 -1.215 -2.294 1.00 0.00 C ATOM 929 O ARG B 65 24.189 -0.659 -1.789 1.00 0.00 O ATOM 930 CB ARG B 65 23.419 -3.595 -3.076 1.00 0.00 C ATOM 931 CG ARG B 65 24.917 -3.399 -3.338 1.00 0.00 C ATOM 932 CD ARG B 65 25.316 -4.121 -4.630 1.00 0.00 C ATOM 933 NE ARG B 65 24.650 -3.514 -5.791 1.00 0.00 N ATOM 934 CZ ARG B 65 23.594 -4.044 -6.422 1.00 0.00 C ATOM 935 NH1 ARG B 65 23.081 -5.212 -6.046 1.00 0.00 N ATOM 936 NH2 ARG B 65 23.039 -3.395 -7.441 1.00 0.00 N ATOM 0 H ARG B 65 21.080 -3.487 -2.581 1.00 0.00 H new ATOM 0 HA ARG B 65 23.388 -2.911 -1.020 1.00 0.00 H new ATOM 0 HB2 ARG B 65 23.233 -4.633 -2.801 1.00 0.00 H new ATOM 0 HB3 ARG B 65 22.863 -3.404 -3.994 1.00 0.00 H new ATOM 0 HG2 ARG B 65 25.146 -2.336 -3.419 1.00 0.00 H new ATOM 0 HG3 ARG B 65 25.496 -3.787 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG B 65 26.397 -4.075 -4.759 1.00 0.00 H new ATOM 0 HD3 ARG B 65 25.048 -5.175 -4.561 1.00 0.00 H new ATOM 0 HE ARG B 65 25.017 -2.629 -6.140 1.00 0.00 H new ATOM 0 HH11 ARG B 65 23.492 -5.721 -5.264 1.00 0.00 H new ATOM 0 HH12 ARG B 65 22.276 -5.598 -6.540 1.00 0.00 H new ATOM 0 HH21 ARG B 65 23.417 -2.496 -7.740 1.00 0.00 H new ATOM 0 HH22 ARG B 65 22.235 -3.796 -7.924 1.00 0.00 H new ATOM 950 N ASP B 66 22.393 -0.600 -3.146 1.00 0.00 N ATOM 951 CA ASP B 66 22.621 0.766 -3.592 1.00 0.00 C ATOM 952 C ASP B 66 22.218 1.801 -2.543 1.00 0.00 C ATOM 953 O ASP B 66 22.674 2.941 -2.586 1.00 0.00 O ATOM 954 CB ASP B 66 21.870 1.010 -4.903 1.00 0.00 C ATOM 955 CG ASP B 66 22.453 0.214 -6.071 1.00 0.00 C ATOM 956 OD1 ASP B 66 21.890 0.344 -7.182 1.00 0.00 O ATOM 957 OD2 ASP B 66 23.447 -0.511 -5.848 1.00 0.00 O ATOM 0 H ASP B 66 21.558 -1.034 -3.539 1.00 0.00 H new ATOM 0 HA ASP B 66 23.692 0.886 -3.753 1.00 0.00 H new ATOM 0 HB2 ASP B 66 20.822 0.741 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP B 66 21.899 2.073 -5.142 1.00 0.00 H new ATOM 962 N ALA B 67 21.365 1.404 -1.595 1.00 0.00 N ATOM 963 CA ALA B 67 20.878 2.315 -0.575 1.00 0.00 C ATOM 964 C ALA B 67 21.986 2.648 0.427 1.00 0.00 C ATOM 965 O ALA B 67 21.998 3.737 0.995 1.00 0.00 O ATOM 966 CB ALA B 67 19.689 1.667 0.133 1.00 0.00 C ATOM 0 H ALA B 67 21.001 0.454 -1.519 1.00 0.00 H new ATOM 0 HA ALA B 67 20.563 3.249 -1.040 1.00 0.00 H new ATOM 0 HB1 ALA B 67 19.313 2.341 0.903 1.00 0.00 H new ATOM 0 HB2 ALA B 67 18.900 1.466 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA B 67 20.006 0.731 0.593 1.00 0.00 H new ATOM 972 N GLU B 68 22.919 1.717 0.647 1.00 0.00 N ATOM 973 CA GLU B 68 24.002 1.932 1.593 1.00 0.00 C ATOM 974 C GLU B 68 25.018 2.927 1.031 1.00 0.00 C ATOM 975 O GLU B 68 25.694 3.615 1.796 1.00 0.00 O ATOM 976 CB GLU B 68 24.683 0.597 1.904 1.00 0.00 C ATOM 977 CG GLU B 68 23.689 -0.364 2.563 1.00 0.00 C ATOM 978 CD GLU B 68 24.358 -1.678 2.969 1.00 0.00 C ATOM 979 OE1 GLU B 68 23.659 -2.498 3.607 1.00 0.00 O ATOM 980 OE2 GLU B 68 25.555 -1.855 2.645 1.00 0.00 O ATOM 0 H GLU B 68 22.940 0.810 0.180 1.00 0.00 H new ATOM 0 HA GLU B 68 23.591 2.349 2.512 1.00 0.00 H new ATOM 0 HB2 GLU B 68 25.072 0.156 0.986 1.00 0.00 H new ATOM 0 HB3 GLU B 68 25.535 0.760 2.565 1.00 0.00 H new ATOM 0 HG2 GLU B 68 23.253 0.110 3.443 1.00 0.00 H new ATOM 0 HG3 GLU B 68 22.870 -0.570 1.874 1.00 0.00 H new ATOM 987 N ASP B 69 25.124 3.005 -0.300 1.00 0.00 N ATOM 988 CA ASP B 69 26.073 3.899 -0.951 1.00 0.00 C ATOM 989 C ASP B 69 25.578 5.340 -1.016 1.00 0.00 C ATOM 990 O ASP B 69 26.367 6.276 -0.886 1.00 0.00 O ATOM 991 CB ASP B 69 26.408 3.376 -2.350 1.00 0.00 C ATOM 992 CG ASP B 69 27.260 2.105 -2.310 1.00 0.00 C ATOM 993 OD1 ASP B 69 27.504 1.552 -3.408 1.00 0.00 O ATOM 994 OD2 ASP B 69 27.659 1.695 -1.197 1.00 0.00 O ATOM 0 H ASP B 69 24.558 2.454 -0.946 1.00 0.00 H new ATOM 0 HA ASP B 69 26.977 3.911 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP B 69 25.483 3.173 -2.890 1.00 0.00 H new ATOM 0 HB3 ASP B 69 26.939 4.149 -2.906 1.00 0.00 H new ATOM 999 N ALA B 70 24.269 5.522 -1.220 1.00 0.00 N ATOM 1000 CA ALA B 70 23.684 6.847 -1.331 1.00 0.00 C ATOM 1001 C ALA B 70 23.557 7.494 0.045 1.00 0.00 C ATOM 1002 O ALA B 70 23.599 8.719 0.155 1.00 0.00 O ATOM 1003 CB ALA B 70 22.311 6.725 -1.992 1.00 0.00 C ATOM 0 H ALA B 70 23.598 4.759 -1.311 1.00 0.00 H new ATOM 0 HA ALA B 70 24.329 7.480 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.861 7.714 -2.081 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.422 6.286 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.669 6.088 -1.383 1.00 0.00 H new ATOM 1009 N VAL B 71 23.407 6.678 1.095 1.00 0.00 N ATOM 1010 CA VAL B 71 23.259 7.181 2.451 1.00 0.00 C ATOM 1011 C VAL B 71 24.632 7.562 2.993 1.00 0.00 C ATOM 1012 O VAL B 71 24.846 8.714 3.369 1.00 0.00 O ATOM 1013 CB VAL B 71 22.604 6.094 3.314 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.741 6.402 4.808 1.00 0.00 C ATOM 1015 CG2 VAL B 71 21.121 6.004 2.962 1.00 0.00 C ATOM 0 H VAL B 71 23.386 5.661 1.022 1.00 0.00 H new ATOM 0 HA VAL B 71 22.625 8.067 2.467 1.00 0.00 H new ATOM 0 HB VAL B 71 23.109 5.150 3.111 1.00 0.00 H new ATOM 0 HG11 VAL B 71 22.266 5.611 5.388 1.00 0.00 H new ATOM 0 HG12 VAL B 71 23.797 6.461 5.072 1.00 0.00 H new ATOM 0 HG13 VAL B 71 22.258 7.354 5.029 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.649 5.233 3.571 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.642 6.964 3.155 1.00 0.00 H new ATOM 0 HG23 VAL B 71 21.012 5.750 1.908 1.00 0.00 H new ATOM 1025 N SER B 72 25.564 6.606 3.041 1.00 0.00 N ATOM 1026 CA SER B 72 26.878 6.844 3.631 1.00 0.00 C ATOM 1027 C SER B 72 27.756 7.715 2.734 1.00 0.00 C ATOM 1028 O SER B 72 28.875 8.056 3.112 1.00 0.00 O ATOM 1029 CB SER B 72 27.563 5.505 3.909 1.00 0.00 C ATOM 1030 OG SER B 72 26.809 4.775 4.853 1.00 0.00 O ATOM 0 H SER B 72 25.430 5.662 2.678 1.00 0.00 H new ATOM 0 HA SER B 72 26.736 7.385 4.566 1.00 0.00 H new ATOM 0 HB2 SER B 72 27.658 4.935 2.985 1.00 0.00 H new ATOM 0 HB3 SER B 72 28.572 5.672 4.285 1.00 0.00 H new ATOM 0 HG SER B 72 27.248 3.917 5.029 1.00 0.00 H new ATOM 1036 N GLY B 73 27.260 8.074 1.545 1.00 0.00 N ATOM 1037 CA GLY B 73 28.041 8.847 0.589 1.00 0.00 C ATOM 1038 C GLY B 73 27.957 10.354 0.835 1.00 0.00 C ATOM 1039 O GLY B 73 28.827 11.091 0.368 1.00 0.00 O ATOM 0 H GLY B 73 26.320 7.839 1.227 1.00 0.00 H new ATOM 0 HA2 GLY B 73 29.083 8.533 0.640 1.00 0.00 H new ATOM 0 HA3 GLY B 73 27.691 8.628 -0.420 1.00 0.00 H new ATOM 1043 N ARG B 74 26.934 10.830 1.558 1.00 0.00 N ATOM 1044 CA ARG B 74 26.731 12.270 1.738 1.00 0.00 C ATOM 1045 C ARG B 74 25.819 12.602 2.920 1.00 0.00 C ATOM 1046 O ARG B 74 25.285 13.708 2.986 1.00 0.00 O ATOM 1047 CB ARG B 74 26.180 12.874 0.441 1.00 0.00 C ATOM 1048 CG ARG B 74 24.910 12.151 -0.011 1.00 0.00 C ATOM 1049 CD ARG B 74 24.370 12.821 -1.273 1.00 0.00 C ATOM 1050 NE ARG B 74 23.334 11.999 -1.907 1.00 0.00 N ATOM 1051 CZ ARG B 74 23.603 10.988 -2.737 1.00 0.00 C ATOM 1052 NH1 ARG B 74 24.861 10.669 -3.026 1.00 0.00 N ATOM 1053 NH2 ARG B 74 22.612 10.290 -3.284 1.00 0.00 N ATOM 0 H ARG B 74 26.241 10.243 2.023 1.00 0.00 H new ATOM 0 HA ARG B 74 27.700 12.711 1.970 1.00 0.00 H new ATOM 0 HB2 ARG B 74 25.965 13.932 0.592 1.00 0.00 H new ATOM 0 HB3 ARG B 74 26.936 12.811 -0.342 1.00 0.00 H new ATOM 0 HG2 ARG B 74 25.126 11.101 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG B 74 24.160 12.180 0.780 1.00 0.00 H new ATOM 0 HD2 ARG B 74 23.959 13.799 -1.022 1.00 0.00 H new ATOM 0 HD3 ARG B 74 25.186 12.989 -1.976 1.00 0.00 H new ATOM 0 HE ARG B 74 22.357 12.211 -1.703 1.00 0.00 H new ATOM 0 HH11 ARG B 74 25.629 11.198 -2.613 1.00 0.00 H new ATOM 0 HH12 ARG B 74 25.058 9.895 -3.661 1.00 0.00 H new ATOM 0 HH21 ARG B 74 21.643 10.526 -3.070 1.00 0.00 H new ATOM 0 HH22 ARG B 74 22.821 9.518 -3.918 1.00 0.00 H new ATOM 1067 N ASP B 75 25.624 11.665 3.850 1.00 0.00 N ATOM 1068 CA ASP B 75 24.782 11.920 5.013 1.00 0.00 C ATOM 1069 C ASP B 75 25.371 12.969 5.958 1.00 0.00 C ATOM 1070 O ASP B 75 26.579 13.003 6.190 1.00 0.00 O ATOM 1071 CB ASP B 75 24.439 10.629 5.765 1.00 0.00 C ATOM 1072 CG ASP B 75 25.643 9.721 6.050 1.00 0.00 C ATOM 1073 OD1 ASP B 75 25.413 8.665 6.680 1.00 0.00 O ATOM 1074 OD2 ASP B 75 26.773 10.078 5.645 1.00 0.00 O ATOM 0 H ASP B 75 26.035 10.732 3.819 1.00 0.00 H new ATOM 0 HA ASP B 75 23.854 12.336 4.622 1.00 0.00 H new ATOM 0 HB2 ASP B 75 23.964 10.889 6.711 1.00 0.00 H new ATOM 0 HB3 ASP B 75 23.706 10.069 5.184 1.00 0.00 H new ATOM 1079 N GLY B 76 24.506 13.828 6.509 1.00 0.00 N ATOM 1080 CA GLY B 76 24.895 14.798 7.522 1.00 0.00 C ATOM 1081 C GLY B 76 25.960 15.761 7.006 1.00 0.00 C ATOM 1082 O GLY B 76 27.114 15.688 7.430 1.00 0.00 O ATOM 0 H GLY B 76 23.517 13.865 6.261 1.00 0.00 H new ATOM 0 HA2 GLY B 76 24.018 15.362 7.840 1.00 0.00 H new ATOM 0 HA3 GLY B 76 25.273 14.275 8.400 1.00 0.00 H new ATOM 1086 N TYR B 77 25.580 16.665 6.094 1.00 0.00 N ATOM 1087 CA TYR B 77 26.513 17.642 5.548 1.00 0.00 C ATOM 1088 C TYR B 77 26.230 19.069 5.994 1.00 0.00 C ATOM 1089 O TYR B 77 25.080 19.501 6.044 1.00 0.00 O ATOM 1090 CB TYR B 77 26.654 17.489 4.032 1.00 0.00 C ATOM 1091 CG TYR B 77 27.386 18.638 3.371 1.00 0.00 C ATOM 1092 CD1 TYR B 77 26.664 19.663 2.745 1.00 0.00 C ATOM 1093 CD2 TYR B 77 28.791 18.670 3.389 1.00 0.00 C ATOM 1094 CE1 TYR B 77 27.341 20.731 2.137 1.00 0.00 C ATOM 1095 CE2 TYR B 77 29.474 19.734 2.786 1.00 0.00 C ATOM 1096 CZ TYR B 77 28.751 20.771 2.160 1.00 0.00 C ATOM 1097 OH TYR B 77 29.413 21.810 1.574 1.00 0.00 O ATOM 0 H TYR B 77 24.632 16.735 5.723 1.00 0.00 H new ATOM 0 HA TYR B 77 27.490 17.419 5.978 1.00 0.00 H new ATOM 0 HB2 TYR B 77 27.183 16.561 3.817 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.661 17.400 3.591 1.00 0.00 H new ATOM 0 HD1 TYR B 77 25.585 19.631 2.731 1.00 0.00 H new ATOM 0 HD2 TYR B 77 29.344 17.875 3.867 1.00 0.00 H new ATOM 0 HE1 TYR B 77 26.784 21.520 1.653 1.00 0.00 H new ATOM 0 HE2 TYR B 77 30.554 19.760 2.800 1.00 0.00 H new ATOM 0 HH TYR B 77 30.379 21.684 1.681 1.00 0.00 H new ATOM 1107 N ASP B 78 27.298 19.798 6.323 1.00 0.00 N ATOM 1108 CA ASP B 78 27.237 21.143 6.869 1.00 0.00 C ATOM 1109 C ASP B 78 26.641 22.156 5.894 1.00 0.00 C ATOM 1110 O ASP B 78 27.274 22.521 4.900 1.00 0.00 O ATOM 1111 CB ASP B 78 28.632 21.556 7.354 1.00 0.00 C ATOM 1112 CG ASP B 78 28.729 23.043 7.697 1.00 0.00 C ATOM 1113 OD1 ASP B 78 29.858 23.574 7.622 1.00 0.00 O ATOM 1114 OD2 ASP B 78 27.679 23.632 8.033 1.00 0.00 O ATOM 0 H ASP B 78 28.252 19.454 6.212 1.00 0.00 H new ATOM 0 HA ASP B 78 26.554 21.135 7.718 1.00 0.00 H new ATOM 0 HB2 ASP B 78 28.894 20.968 8.234 1.00 0.00 H new ATOM 0 HB3 ASP B 78 29.364 21.318 6.582 1.00 0.00 H new ATOM 1119 N TYR B 79 25.420 22.606 6.189 1.00 0.00 N ATOM 1120 CA TYR B 79 24.737 23.641 5.437 1.00 0.00 C ATOM 1121 C TYR B 79 24.544 24.902 6.279 1.00 0.00 C ATOM 1122 O TYR B 79 24.762 24.884 7.488 1.00 0.00 O ATOM 1123 CB TYR B 79 23.425 23.081 4.887 1.00 0.00 C ATOM 1124 CG TYR B 79 22.533 24.090 4.199 1.00 0.00 C ATOM 1125 CD1 TYR B 79 22.671 24.322 2.823 1.00 0.00 C ATOM 1126 CD2 TYR B 79 21.572 24.792 4.939 1.00 0.00 C ATOM 1127 CE1 TYR B 79 21.836 25.249 2.182 1.00 0.00 C ATOM 1128 CE2 TYR B 79 20.730 25.716 4.304 1.00 0.00 C ATOM 1129 CZ TYR B 79 20.856 25.945 2.918 1.00 0.00 C ATOM 1130 OH TYR B 79 20.037 26.841 2.295 1.00 0.00 O ATOM 0 H TYR B 79 24.874 22.250 6.974 1.00 0.00 H new ATOM 0 HA TYR B 79 25.350 23.946 4.589 1.00 0.00 H new ATOM 0 HB2 TYR B 79 23.656 22.283 4.181 1.00 0.00 H new ATOM 0 HB3 TYR B 79 22.869 22.628 5.708 1.00 0.00 H new ATOM 0 HD1 TYR B 79 23.420 23.787 2.257 1.00 0.00 H new ATOM 0 HD2 TYR B 79 21.480 24.621 6.001 1.00 0.00 H new ATOM 0 HE1 TYR B 79 21.944 25.430 1.123 1.00 0.00 H new ATOM 0 HE2 TYR B 79 19.986 26.252 4.875 1.00 0.00 H new ATOM 0 HH TYR B 79 19.420 27.230 2.949 1.00 0.00 H new ATOM 1140 N ASP B 80 24.129 25.998 5.641 1.00 0.00 N ATOM 1141 CA ASP B 80 23.922 27.264 6.313 1.00 0.00 C ATOM 1142 C ASP B 80 22.875 27.172 7.425 1.00 0.00 C ATOM 1143 O ASP B 80 21.677 27.248 7.164 1.00 0.00 O ATOM 1144 CB ASP B 80 23.548 28.326 5.278 1.00 0.00 C ATOM 1145 CG ASP B 80 24.712 28.678 4.347 1.00 0.00 C ATOM 1146 OD1 ASP B 80 25.821 28.140 4.556 1.00 0.00 O ATOM 1147 OD2 ASP B 80 24.472 29.491 3.426 1.00 0.00 O ATOM 0 H ASP B 80 23.929 26.024 4.641 1.00 0.00 H new ATOM 0 HA ASP B 80 24.853 27.548 6.803 1.00 0.00 H new ATOM 0 HB2 ASP B 80 22.708 27.968 4.683 1.00 0.00 H new ATOM 0 HB3 ASP B 80 23.214 29.227 5.792 1.00 0.00 H new ATOM 1152 N GLY B 81 23.334 27.007 8.668 1.00 0.00 N ATOM 1153 CA GLY B 81 22.471 26.948 9.836 1.00 0.00 C ATOM 1154 C GLY B 81 21.822 25.570 10.022 1.00 0.00 C ATOM 1155 O GLY B 81 21.152 25.351 11.030 1.00 0.00 O ATOM 0 H GLY B 81 24.325 26.910 8.887 1.00 0.00 H new ATOM 0 HA2 GLY B 81 23.052 27.195 10.725 1.00 0.00 H new ATOM 0 HA3 GLY B 81 21.691 27.704 9.745 1.00 0.00 H new ATOM 1159 N TYR B 82 22.011 24.647 9.073 1.00 0.00 N ATOM 1160 CA TYR B 82 21.395 23.325 9.123 1.00 0.00 C ATOM 1161 C TYR B 82 22.333 22.201 8.676 1.00 0.00 C ATOM 1162 O TYR B 82 23.526 22.424 8.479 1.00 0.00 O ATOM 1163 CB TYR B 82 20.083 23.328 8.330 1.00 0.00 C ATOM 1164 CG TYR B 82 19.007 24.184 8.951 1.00 0.00 C ATOM 1165 CD1 TYR B 82 18.960 25.558 8.663 1.00 0.00 C ATOM 1166 CD2 TYR B 82 18.060 23.616 9.816 1.00 0.00 C ATOM 1167 CE1 TYR B 82 17.968 26.365 9.238 1.00 0.00 C ATOM 1168 CE2 TYR B 82 17.063 24.416 10.394 1.00 0.00 C ATOM 1169 CZ TYR B 82 17.012 25.797 10.107 1.00 0.00 C ATOM 1170 OH TYR B 82 16.047 26.582 10.670 1.00 0.00 O ATOM 0 H TYR B 82 22.595 24.799 8.251 1.00 0.00 H new ATOM 0 HA TYR B 82 21.173 23.110 10.168 1.00 0.00 H new ATOM 0 HB2 TYR B 82 20.280 23.683 7.318 1.00 0.00 H new ATOM 0 HB3 TYR B 82 19.718 22.305 8.243 1.00 0.00 H new ATOM 0 HD1 TYR B 82 19.690 25.994 7.997 1.00 0.00 H new ATOM 0 HD2 TYR B 82 18.099 22.560 10.038 1.00 0.00 H new ATOM 0 HE1 TYR B 82 17.935 27.421 9.016 1.00 0.00 H new ATOM 0 HE2 TYR B 82 16.335 23.975 11.058 1.00 0.00 H new ATOM 0 HH TYR B 82 15.470 26.033 11.241 1.00 0.00 H new ATOM 1180 N ARG B 83 21.791 20.991 8.517 1.00 0.00 N ATOM 1181 CA ARG B 83 22.559 19.812 8.150 1.00 0.00 C ATOM 1182 C ARG B 83 21.725 18.962 7.192 1.00 0.00 C ATOM 1183 O ARG B 83 20.573 18.656 7.484 1.00 0.00 O ATOM 1184 CB ARG B 83 22.894 19.028 9.427 1.00 0.00 C ATOM 1185 CG ARG B 83 24.008 18.010 9.168 1.00 0.00 C ATOM 1186 CD ARG B 83 25.370 18.700 9.167 1.00 0.00 C ATOM 1187 NE ARG B 83 25.801 19.025 10.535 1.00 0.00 N ATOM 1188 CZ ARG B 83 25.860 20.262 11.043 1.00 0.00 C ATOM 1189 NH1 ARG B 83 25.476 21.315 10.326 1.00 0.00 N ATOM 1190 NH2 ARG B 83 26.308 20.445 12.280 1.00 0.00 N ATOM 0 H ARG B 83 20.796 20.807 8.642 1.00 0.00 H new ATOM 0 HA ARG B 83 23.489 20.090 7.653 1.00 0.00 H new ATOM 0 HB2 ARG B 83 23.203 19.719 10.212 1.00 0.00 H new ATOM 0 HB3 ARG B 83 22.003 18.514 9.787 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.986 17.235 9.934 1.00 0.00 H new ATOM 0 HG3 ARG B 83 23.843 17.516 8.210 1.00 0.00 H new ATOM 0 HD2 ARG B 83 26.108 18.053 8.694 1.00 0.00 H new ATOM 0 HD3 ARG B 83 25.318 19.612 8.572 1.00 0.00 H new ATOM 0 HE ARG B 83 26.075 18.251 11.141 1.00 0.00 H new ATOM 0 HH11 ARG B 83 25.131 21.186 9.375 1.00 0.00 H new ATOM 0 HH12 ARG B 83 25.527 22.251 10.727 1.00 0.00 H new ATOM 0 HH21 ARG B 83 26.605 19.645 12.838 1.00 0.00 H new ATOM 0 HH22 ARG B 83 26.355 21.386 12.671 1.00 0.00 H new ATOM 1204 N LEU B 84 22.303 18.580 6.051 1.00 0.00 N ATOM 1205 CA LEU B 84 21.600 17.778 5.055 1.00 0.00 C ATOM 1206 C LEU B 84 21.240 16.415 5.638 1.00 0.00 C ATOM 1207 O LEU B 84 21.945 15.898 6.502 1.00 0.00 O ATOM 1208 CB LEU B 84 22.464 17.610 3.801 1.00 0.00 C ATOM 1209 CG LEU B 84 22.245 18.762 2.814 1.00 0.00 C ATOM 1210 CD1 LEU B 84 22.721 20.085 3.402 1.00 0.00 C ATOM 1211 CD2 LEU B 84 23.022 18.475 1.532 1.00 0.00 C ATOM 0 H LEU B 84 23.262 18.816 5.796 1.00 0.00 H new ATOM 0 HA LEU B 84 20.681 18.293 4.776 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.516 17.567 4.085 1.00 0.00 H new ATOM 0 HB3 LEU B 84 22.225 16.663 3.317 1.00 0.00 H new ATOM 0 HG LEU B 84 21.178 18.841 2.604 1.00 0.00 H new ATOM 0 HD11 LEU B 84 22.554 20.885 2.681 1.00 0.00 H new ATOM 0 HD12 LEU B 84 22.166 20.298 4.315 1.00 0.00 H new ATOM 0 HD13 LEU B 84 23.785 20.020 3.631 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.871 19.291 0.825 1.00 0.00 H new ATOM 0 HD22 LEU B 84 24.084 18.386 1.762 1.00 0.00 H new ATOM 0 HD23 LEU B 84 22.667 17.543 1.092 1.00 0.00 H new ATOM 1223 N ARG B 85 20.135 15.839 5.154 1.00 0.00 N ATOM 1224 CA ARG B 85 19.666 14.536 5.605 1.00 0.00 C ATOM 1225 C ARG B 85 19.542 13.586 4.425 1.00 0.00 C ATOM 1226 O ARG B 85 18.855 13.888 3.453 1.00 0.00 O ATOM 1227 CB ARG B 85 18.323 14.693 6.314 1.00 0.00 C ATOM 1228 CG ARG B 85 18.435 15.614 7.529 1.00 0.00 C ATOM 1229 CD ARG B 85 17.049 15.775 8.147 1.00 0.00 C ATOM 1230 NE ARG B 85 17.103 16.535 9.399 1.00 0.00 N ATOM 1231 CZ ARG B 85 16.150 16.465 10.334 1.00 0.00 C ATOM 1232 NH1 ARG B 85 15.073 15.713 10.134 1.00 0.00 N ATOM 1233 NH2 ARG B 85 16.272 17.144 11.472 1.00 0.00 N ATOM 0 H ARG B 85 19.545 16.266 4.440 1.00 0.00 H new ATOM 0 HA ARG B 85 20.387 14.116 6.306 1.00 0.00 H new ATOM 0 HB2 ARG B 85 17.588 15.096 5.617 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.961 13.715 6.630 1.00 0.00 H new ATOM 0 HG2 ARG B 85 19.128 15.195 8.259 1.00 0.00 H new ATOM 0 HG3 ARG B 85 18.832 16.585 7.233 1.00 0.00 H new ATOM 0 HD2 ARG B 85 16.391 16.282 7.441 1.00 0.00 H new ATOM 0 HD3 ARG B 85 16.617 14.792 8.335 1.00 0.00 H new ATOM 0 HE ARG B 85 17.904 17.145 9.564 1.00 0.00 H new ATOM 0 HH11 ARG B 85 14.972 15.188 9.266 1.00 0.00 H new ATOM 0 HH12 ARG B 85 14.347 15.661 10.849 1.00 0.00 H new ATOM 0 HH21 ARG B 85 17.096 17.722 11.635 1.00 0.00 H new ATOM 0 HH22 ARG B 85 15.541 17.086 12.181 1.00 0.00 H new ATOM 1247 N VAL B 86 20.212 12.434 4.528 1.00 0.00 N ATOM 1248 CA VAL B 86 20.181 11.389 3.512 1.00 0.00 C ATOM 1249 C VAL B 86 20.304 10.025 4.188 1.00 0.00 C ATOM 1250 O VAL B 86 21.382 9.437 4.216 1.00 0.00 O ATOM 1251 CB VAL B 86 21.292 11.597 2.470 1.00 0.00 C ATOM 1252 CG1 VAL B 86 21.100 10.611 1.315 1.00 0.00 C ATOM 1253 CG2 VAL B 86 21.282 13.015 1.897 1.00 0.00 C ATOM 0 H VAL B 86 20.797 12.203 5.331 1.00 0.00 H new ATOM 0 HA VAL B 86 19.231 11.436 2.980 1.00 0.00 H new ATOM 0 HB VAL B 86 22.245 11.432 2.973 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.888 10.758 0.576 1.00 0.00 H new ATOM 0 HG12 VAL B 86 21.146 9.591 1.696 1.00 0.00 H new ATOM 0 HG13 VAL B 86 20.129 10.781 0.849 1.00 0.00 H new ATOM 0 HG21 VAL B 86 22.083 13.117 1.165 1.00 0.00 H new ATOM 0 HG22 VAL B 86 20.323 13.206 1.415 1.00 0.00 H new ATOM 0 HG23 VAL B 86 21.432 13.734 2.702 1.00 0.00 H new ATOM 1263 N GLU B 87 19.194 9.530 4.737 1.00 0.00 N ATOM 1264 CA GLU B 87 19.172 8.267 5.466 1.00 0.00 C ATOM 1265 C GLU B 87 17.834 7.566 5.275 1.00 0.00 C ATOM 1266 O GLU B 87 16.871 8.177 4.825 1.00 0.00 O ATOM 1267 CB GLU B 87 19.440 8.532 6.949 1.00 0.00 C ATOM 1268 CG GLU B 87 18.335 9.408 7.552 1.00 0.00 C ATOM 1269 CD GLU B 87 18.572 9.684 9.038 1.00 0.00 C ATOM 1270 OE1 GLU B 87 17.756 10.439 9.612 1.00 0.00 O ATOM 1271 OE2 GLU B 87 19.561 9.146 9.584 1.00 0.00 O ATOM 0 H GLU B 87 18.287 9.995 4.687 1.00 0.00 H new ATOM 0 HA GLU B 87 19.951 7.612 5.077 1.00 0.00 H new ATOM 0 HB2 GLU B 87 19.496 7.586 7.488 1.00 0.00 H new ATOM 0 HB3 GLU B 87 20.406 9.024 7.067 1.00 0.00 H new ATOM 0 HG2 GLU B 87 18.285 10.353 7.011 1.00 0.00 H new ATOM 0 HG3 GLU B 87 17.371 8.916 7.424 1.00 0.00 H new ATOM 1278 N PHE B 88 17.766 6.278 5.617 1.00 0.00 N ATOM 1279 CA PHE B 88 16.523 5.526 5.543 1.00 0.00 C ATOM 1280 C PHE B 88 15.577 5.758 6.725 1.00 0.00 C ATOM 1281 O PHE B 88 16.038 6.102 7.817 1.00 0.00 O ATOM 1282 CB PHE B 88 16.794 4.043 5.287 1.00 0.00 C ATOM 1283 CG PHE B 88 18.011 3.512 6.007 1.00 0.00 C ATOM 1284 CD1 PHE B 88 19.220 3.366 5.314 1.00 0.00 C ATOM 1285 CD2 PHE B 88 17.933 3.164 7.362 1.00 0.00 C ATOM 1286 CE1 PHE B 88 20.353 2.871 5.974 1.00 0.00 C ATOM 1287 CE2 PHE B 88 19.068 2.673 8.025 1.00 0.00 C ATOM 1288 CZ PHE B 88 20.278 2.525 7.331 1.00 0.00 C ATOM 0 H PHE B 88 18.564 5.736 5.949 1.00 0.00 H new ATOM 0 HA PHE B 88 15.980 5.921 4.684 1.00 0.00 H new ATOM 0 HB2 PHE B 88 15.922 3.466 5.593 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.920 3.886 4.216 1.00 0.00 H new ATOM 0 HD1 PHE B 88 19.279 3.635 4.270 1.00 0.00 H new ATOM 0 HD2 PHE B 88 17.000 3.274 7.895 1.00 0.00 H new ATOM 0 HE1 PHE B 88 21.283 2.756 5.438 1.00 0.00 H new ATOM 0 HE2 PHE B 88 19.010 2.409 9.071 1.00 0.00 H new ATOM 0 HZ PHE B 88 21.151 2.145 7.841 1.00 0.00 H new ATOM 1298 N PRO B 89 14.266 5.576 6.523 1.00 0.00 N ATOM 1299 CA PRO B 89 13.265 5.678 7.573 1.00 0.00 C ATOM 1300 C PRO B 89 13.581 4.754 8.747 1.00 0.00 C ATOM 1301 O PRO B 89 13.923 3.583 8.479 1.00 0.00 O ATOM 1302 CB PRO B 89 11.932 5.316 6.912 1.00 0.00 C ATOM 1303 CG PRO B 89 12.169 5.566 5.423 1.00 0.00 C ATOM 1304 CD PRO B 89 13.657 5.284 5.239 1.00 0.00 C ATOM 0 HA PRO B 89 13.238 6.682 7.997 1.00 0.00 H new ATOM 0 HB2 PRO B 89 11.662 4.277 7.103 1.00 0.00 H new ATOM 0 HB3 PRO B 89 11.118 5.932 7.294 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.558 4.909 4.805 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.918 6.590 5.144 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.828 4.247 4.950 1.00 0.00 H new ATOM 0 HD3 PRO B 89 14.081 5.908 4.452 1.00 0.00 H new