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 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 ASN :FLIP amide:sc= -0.637 F(o=-2.7,f=-0.64) USER MOD Single : B 30 LYS NZ :NH3+ 171:sc= 1.68 (180deg=1.54) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 135:sc= 1.34 USER MOD Single : B 48 LYS NZ :NH3+ 156:sc= 0.475 (180deg=-0.0542) USER MOD Single : B 49 ASN : amide:sc= 0 K(o=0,f=-0.88) 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 13.303 -1.012 -1.100 1.00 0.00 N ATOM 139 CA CYS B 16 14.553 -0.337 -1.440 1.00 0.00 C ATOM 140 C CYS B 16 14.429 1.190 -1.399 1.00 0.00 C ATOM 141 O CYS B 16 15.275 1.895 -1.952 1.00 0.00 O ATOM 142 CB CYS B 16 15.050 -0.831 -2.802 1.00 0.00 C ATOM 143 SG CYS B 16 15.409 -2.603 -2.695 1.00 0.00 S ATOM 0 HA CYS B 16 15.292 -0.592 -0.680 1.00 0.00 H new ATOM 0 HB2 CYS B 16 14.296 -0.646 -3.567 1.00 0.00 H new ATOM 0 HB3 CYS B 16 15.945 -0.283 -3.097 1.00 0.00 H new ATOM 0 HG CYS B 16 15.829 -3.031 -3.848 1.00 0.00 H new ATOM 149 N ARG B 17 13.377 1.702 -0.748 1.00 0.00 N ATOM 150 CA ARG B 17 13.165 3.135 -0.599 1.00 0.00 C ATOM 151 C ARG B 17 14.099 3.740 0.445 1.00 0.00 C ATOM 152 O ARG B 17 14.505 3.068 1.390 1.00 0.00 O ATOM 153 CB ARG B 17 11.707 3.424 -0.227 1.00 0.00 C ATOM 154 CG ARG B 17 10.809 3.330 -1.462 1.00 0.00 C ATOM 155 CD ARG B 17 9.355 3.597 -1.069 1.00 0.00 C ATOM 156 NE ARG B 17 8.849 2.536 -0.189 1.00 0.00 N ATOM 157 CZ ARG B 17 8.076 2.740 0.881 1.00 0.00 C ATOM 158 NH1 ARG B 17 7.702 3.966 1.230 1.00 0.00 N ATOM 159 NH2 ARG B 17 7.676 1.700 1.604 1.00 0.00 N ATOM 0 H ARG B 17 12.653 1.130 -0.313 1.00 0.00 H new ATOM 0 HA ARG B 17 13.391 3.599 -1.559 1.00 0.00 H new ATOM 0 HB2 ARG B 17 11.371 2.714 0.529 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.628 4.418 0.212 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.131 4.052 -2.212 1.00 0.00 H new ATOM 0 HG3 ARG B 17 10.898 2.341 -1.913 1.00 0.00 H new ATOM 0 HD2 ARG B 17 9.281 4.560 -0.564 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.737 3.658 -1.965 1.00 0.00 H new ATOM 0 HE ARG B 17 9.106 1.574 -0.411 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.005 4.768 0.678 1.00 0.00 H new ATOM 0 HH12 ARG B 17 7.111 4.105 2.050 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.959 0.756 1.340 1.00 0.00 H new ATOM 0 HH22 ARG B 17 7.086 1.845 2.423 1.00 0.00 H new ATOM 173 N ILE B 18 14.419 5.022 0.265 1.00 0.00 N ATOM 174 CA ILE B 18 15.132 5.820 1.249 1.00 0.00 C ATOM 175 C ILE B 18 14.474 7.192 1.338 1.00 0.00 C ATOM 176 O ILE B 18 13.554 7.499 0.580 1.00 0.00 O ATOM 177 CB ILE B 18 16.623 5.944 0.896 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.827 6.763 -0.386 1.00 0.00 C ATOM 179 CG2 ILE B 18 17.265 4.565 0.753 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.234 7.355 -0.421 1.00 0.00 C ATOM 0 H ILE B 18 14.184 5.538 -0.583 1.00 0.00 H new ATOM 0 HA ILE B 18 15.077 5.326 2.219 1.00 0.00 H new ATOM 0 HB ILE B 18 17.112 6.471 1.716 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.670 6.129 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.088 7.562 -0.436 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.320 4.679 0.503 1.00 0.00 H new ATOM 0 HG22 ILE B 18 17.171 4.021 1.693 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.762 4.010 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.363 7.933 -1.336 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.377 8.005 0.442 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.968 6.550 -0.394 1.00 0.00 H new ATOM 192 N TYR B 19 14.957 8.014 2.268 1.00 0.00 N ATOM 193 CA TYR B 19 14.419 9.345 2.528 1.00 0.00 C ATOM 194 C TYR B 19 15.446 10.471 2.446 1.00 0.00 C ATOM 195 O TYR B 19 16.621 10.275 2.755 1.00 0.00 O ATOM 196 CB TYR B 19 13.603 9.369 3.825 1.00 0.00 C ATOM 197 CG TYR B 19 13.567 10.719 4.513 1.00 0.00 C ATOM 198 CD1 TYR B 19 12.465 11.572 4.351 1.00 0.00 C ATOM 199 CD2 TYR B 19 14.639 11.104 5.334 1.00 0.00 C ATOM 200 CE1 TYR B 19 12.435 12.811 5.012 1.00 0.00 C ATOM 201 CE2 TYR B 19 14.618 12.341 5.988 1.00 0.00 C ATOM 202 CZ TYR B 19 13.521 13.207 5.817 1.00 0.00 C ATOM 203 OH TYR B 19 13.502 14.420 6.439 1.00 0.00 O ATOM 0 H TYR B 19 15.744 7.769 2.869 1.00 0.00 H new ATOM 0 HA TYR B 19 13.737 9.558 1.705 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.582 9.059 3.604 1.00 0.00 H new ATOM 0 HB3 TYR B 19 14.017 8.633 4.515 1.00 0.00 H new ATOM 0 HD1 TYR B 19 11.641 11.276 3.719 1.00 0.00 H new ATOM 0 HD2 TYR B 19 15.483 10.443 5.461 1.00 0.00 H new ATOM 0 HE1 TYR B 19 11.579 13.460 4.903 1.00 0.00 H new ATOM 0 HE2 TYR B 19 15.442 12.631 6.623 1.00 0.00 H new ATOM 0 HH TYR B 19 14.327 14.536 6.955 1.00 0.00 H new ATOM 213 N VAL B 20 14.984 11.651 2.024 1.00 0.00 N ATOM 214 CA VAL B 20 15.829 12.826 1.875 1.00 0.00 C ATOM 215 C VAL B 20 15.144 14.056 2.452 1.00 0.00 C ATOM 216 O VAL B 20 13.935 14.224 2.297 1.00 0.00 O ATOM 217 CB VAL B 20 16.198 13.032 0.401 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.268 14.110 0.271 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.718 11.737 -0.226 1.00 0.00 C ATOM 0 H VAL B 20 14.008 11.813 1.776 1.00 0.00 H new ATOM 0 HA VAL B 20 16.751 12.668 2.435 1.00 0.00 H new ATOM 0 HB VAL B 20 15.294 13.341 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.521 14.247 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.891 15.048 0.678 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.158 13.807 0.822 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.971 11.915 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.606 11.404 0.311 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.948 10.968 -0.165 1.00 0.00 H new ATOM 229 N GLY B 21 15.915 14.921 3.117 1.00 0.00 N ATOM 230 CA GLY B 21 15.381 16.114 3.753 1.00 0.00 C ATOM 231 C GLY B 21 16.419 17.231 3.803 1.00 0.00 C ATOM 232 O GLY B 21 17.551 17.057 3.347 1.00 0.00 O ATOM 0 H GLY B 21 16.923 14.809 3.226 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.502 16.457 3.207 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.054 15.873 4.765 1.00 0.00 H new ATOM 236 N ASN B 22 16.018 18.378 4.360 1.00 0.00 N ATOM 237 CA ASN B 22 16.826 19.592 4.385 1.00 0.00 C ATOM 238 C ASN B 22 17.160 20.067 2.965 1.00 0.00 C ATOM 239 O ASN B 22 18.132 20.795 2.765 1.00 0.00 O ATOM 240 CB ASN B 22 18.079 19.374 5.241 1.00 0.00 C ATOM 241 CG ASN B 22 18.817 20.682 5.478 1.00 0.00 C ATOM 242 OD1 ASN B 22 20.113 20.701 5.185 1.00 0.00 O flip ATOM 243 ND2 ASN B 22 18.230 21.663 5.921 1.00 0.00 N flip ATOM 0 H ASN B 22 15.110 18.486 4.811 1.00 0.00 H new ATOM 0 HA ASN B 22 16.247 20.392 4.847 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.797 18.934 6.198 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.742 18.664 4.746 1.00 0.00 H new ATOM 0 HD21 ASN B 22 17.234 21.608 6.134 1.00 0.00 H new ATOM 0 HD22 ASN B 22 18.738 22.534 6.077 1.00 0.00 H new ATOM 250 N LEU B 23 16.359 19.656 1.978 1.00 0.00 N ATOM 251 CA LEU B 23 16.555 20.084 0.605 1.00 0.00 C ATOM 252 C LEU B 23 16.240 21.578 0.485 1.00 0.00 C ATOM 253 O LEU B 23 15.367 22.079 1.192 1.00 0.00 O ATOM 254 CB LEU B 23 15.657 19.263 -0.329 1.00 0.00 C ATOM 255 CG LEU B 23 16.049 17.784 -0.324 1.00 0.00 C ATOM 256 CD1 LEU B 23 15.003 16.988 -1.102 1.00 0.00 C ATOM 257 CD2 LEU B 23 17.413 17.597 -0.989 1.00 0.00 C ATOM 0 H LEU B 23 15.569 19.026 2.113 1.00 0.00 H new ATOM 0 HA LEU B 23 17.593 19.921 0.315 1.00 0.00 H new ATOM 0 HB2 LEU B 23 14.617 19.366 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU B 23 15.728 19.656 -1.343 1.00 0.00 H new ATOM 0 HG LEU B 23 16.102 17.433 0.706 1.00 0.00 H new ATOM 0 HD11 LEU B 23 15.276 15.933 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU B 23 14.028 17.111 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU B 23 14.958 17.352 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.681 16.540 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU B 23 17.367 17.950 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU B 23 18.165 18.167 -0.443 1.00 0.00 H new ATOM 366 N LYS B 30 14.805 16.522 -11.296 1.00 0.00 N ATOM 367 CA LYS B 30 15.926 15.973 -12.052 1.00 0.00 C ATOM 368 C LYS B 30 17.221 15.991 -11.241 1.00 0.00 C ATOM 369 O LYS B 30 18.191 15.342 -11.623 1.00 0.00 O ATOM 370 CB LYS B 30 16.098 16.753 -13.358 1.00 0.00 C ATOM 371 CG LYS B 30 16.424 18.231 -13.100 1.00 0.00 C ATOM 372 CD LYS B 30 17.416 18.730 -14.151 1.00 0.00 C ATOM 373 CE LYS B 30 18.789 18.084 -13.928 1.00 0.00 C ATOM 374 NZ LYS B 30 19.450 18.616 -12.721 1.00 0.00 N ATOM 0 HA LYS B 30 15.703 14.930 -12.279 1.00 0.00 H new ATOM 0 HB2 LYS B 30 16.896 16.302 -13.948 1.00 0.00 H new ATOM 0 HB3 LYS B 30 15.185 16.680 -13.948 1.00 0.00 H new ATOM 0 HG2 LYS B 30 15.512 18.826 -13.135 1.00 0.00 H new ATOM 0 HG3 LYS B 30 16.845 18.352 -12.102 1.00 0.00 H new ATOM 0 HD2 LYS B 30 17.051 18.491 -15.150 1.00 0.00 H new ATOM 0 HD3 LYS B 30 17.502 19.815 -14.095 1.00 0.00 H new ATOM 0 HE2 LYS B 30 18.673 17.004 -13.834 1.00 0.00 H new ATOM 0 HE3 LYS B 30 19.421 18.262 -14.798 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 20.301 18.054 -12.515 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 19.720 19.607 -12.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 18.796 18.562 -11.914 1.00 0.00 H new ATOM 388 N ASP B 31 17.255 16.721 -10.126 1.00 0.00 N ATOM 389 CA ASP B 31 18.448 16.762 -9.291 1.00 0.00 C ATOM 390 C ASP B 31 18.645 15.428 -8.582 1.00 0.00 C ATOM 391 O ASP B 31 19.767 15.059 -8.241 1.00 0.00 O ATOM 392 CB ASP B 31 18.340 17.905 -8.284 1.00 0.00 C ATOM 393 CG ASP B 31 18.269 19.270 -8.971 1.00 0.00 C ATOM 394 OD1 ASP B 31 18.444 19.313 -10.209 1.00 0.00 O ATOM 395 OD2 ASP B 31 18.042 20.262 -8.242 1.00 0.00 O ATOM 0 H ASP B 31 16.477 17.286 -9.785 1.00 0.00 H new ATOM 0 HA ASP B 31 19.318 16.940 -9.922 1.00 0.00 H new ATOM 0 HB2 ASP B 31 17.452 17.763 -7.668 1.00 0.00 H new ATOM 0 HB3 ASP B 31 19.200 17.881 -7.614 1.00 0.00 H new ATOM 400 N ILE B 32 17.546 14.704 -8.361 1.00 0.00 N ATOM 401 CA ILE B 32 17.594 13.363 -7.811 1.00 0.00 C ATOM 402 C ILE B 32 18.000 12.382 -8.912 1.00 0.00 C ATOM 403 O ILE B 32 18.527 11.310 -8.626 1.00 0.00 O ATOM 404 CB ILE B 32 16.224 13.022 -7.214 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.932 13.991 -6.054 1.00 0.00 C ATOM 406 CG2 ILE B 32 16.194 11.576 -6.708 1.00 0.00 C ATOM 407 CD1 ILE B 32 14.543 13.762 -5.461 1.00 0.00 C ATOM 0 H ILE B 32 16.603 15.037 -8.560 1.00 0.00 H new ATOM 0 HA ILE B 32 18.336 13.295 -7.015 1.00 0.00 H new ATOM 0 HB ILE B 32 15.462 13.124 -7.987 1.00 0.00 H new ATOM 0 HG12 ILE B 32 16.685 13.864 -5.276 1.00 0.00 H new ATOM 0 HG13 ILE B 32 16.011 15.018 -6.410 1.00 0.00 H new ATOM 0 HG21 ILE B 32 15.212 11.357 -6.289 1.00 0.00 H new ATOM 0 HG22 ILE B 32 16.394 10.896 -7.536 1.00 0.00 H new ATOM 0 HG23 ILE B 32 16.954 11.444 -5.938 1.00 0.00 H new ATOM 0 HD11 ILE B 32 14.375 14.465 -4.645 1.00 0.00 H new ATOM 0 HD12 ILE B 32 13.788 13.914 -6.233 1.00 0.00 H new ATOM 0 HD13 ILE B 32 14.473 12.743 -5.081 1.00 0.00 H new ATOM 419 N GLU B 33 17.758 12.748 -10.175 1.00 0.00 N ATOM 420 CA GLU B 33 18.137 11.910 -11.305 1.00 0.00 C ATOM 421 C GLU B 33 19.625 12.090 -11.609 1.00 0.00 C ATOM 422 O GLU B 33 20.210 11.289 -12.338 1.00 0.00 O ATOM 423 CB GLU B 33 17.290 12.262 -12.530 1.00 0.00 C ATOM 424 CG GLU B 33 15.811 11.989 -12.254 1.00 0.00 C ATOM 425 CD GLU B 33 14.928 12.308 -13.466 1.00 0.00 C ATOM 426 OE1 GLU B 33 13.710 12.038 -13.370 1.00 0.00 O ATOM 427 OE2 GLU B 33 15.475 12.816 -14.470 1.00 0.00 O ATOM 0 H GLU B 33 17.300 13.622 -10.435 1.00 0.00 H new ATOM 0 HA GLU B 33 17.957 10.865 -11.052 1.00 0.00 H new ATOM 0 HB2 GLU B 33 17.430 13.312 -12.787 1.00 0.00 H new ATOM 0 HB3 GLU B 33 17.620 11.677 -13.388 1.00 0.00 H new ATOM 0 HG2 GLU B 33 15.682 10.943 -11.978 1.00 0.00 H new ATOM 0 HG3 GLU B 33 15.486 12.586 -11.402 1.00 0.00 H new ATOM 434 N ASP B 34 20.233 13.138 -11.045 1.00 0.00 N ATOM 435 CA ASP B 34 21.665 13.365 -11.142 1.00 0.00 C ATOM 436 C ASP B 34 22.415 12.792 -9.939 1.00 0.00 C ATOM 437 O ASP B 34 23.121 11.787 -10.058 1.00 0.00 O ATOM 438 CB ASP B 34 21.954 14.861 -11.306 1.00 0.00 C ATOM 439 CG ASP B 34 21.451 15.425 -12.632 1.00 0.00 C ATOM 440 OD1 ASP B 34 21.085 14.616 -13.515 1.00 0.00 O ATOM 441 OD2 ASP B 34 21.441 16.672 -12.746 1.00 0.00 O ATOM 0 H ASP B 34 19.738 13.851 -10.508 1.00 0.00 H new ATOM 0 HA ASP B 34 22.027 12.838 -12.025 1.00 0.00 H new ATOM 0 HB2 ASP B 34 21.489 15.407 -10.486 1.00 0.00 H new ATOM 0 HB3 ASP B 34 23.029 15.028 -11.231 1.00 0.00 H new ATOM 446 N VAL B 35 22.260 13.433 -8.777 1.00 0.00 N ATOM 447 CA VAL B 35 23.053 13.107 -7.601 1.00 0.00 C ATOM 448 C VAL B 35 22.772 11.687 -7.121 1.00 0.00 C ATOM 449 O VAL B 35 23.693 10.881 -6.997 1.00 0.00 O ATOM 450 CB VAL B 35 22.767 14.123 -6.490 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.632 13.827 -5.265 1.00 0.00 C ATOM 452 CG2 VAL B 35 23.066 15.542 -6.984 1.00 0.00 C ATOM 0 H VAL B 35 21.586 14.185 -8.631 1.00 0.00 H new ATOM 0 HA VAL B 35 24.109 13.158 -7.868 1.00 0.00 H new ATOM 0 HB VAL B 35 21.715 14.046 -6.217 1.00 0.00 H new ATOM 0 HG11 VAL B 35 23.418 14.557 -4.484 1.00 0.00 H new ATOM 0 HG12 VAL B 35 23.410 12.825 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL B 35 24.685 13.888 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.859 16.256 -6.187 1.00 0.00 H new ATOM 0 HG22 VAL B 35 24.115 15.613 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL B 35 22.437 15.768 -7.845 1.00 0.00 H new ATOM 462 N PHE B 36 21.505 11.371 -6.850 1.00 0.00 N ATOM 463 CA PHE B 36 21.156 10.059 -6.337 1.00 0.00 C ATOM 464 C PHE B 36 21.357 8.923 -7.335 1.00 0.00 C ATOM 465 O PHE B 36 21.428 7.759 -6.944 1.00 0.00 O ATOM 466 CB PHE B 36 19.761 10.071 -5.711 1.00 0.00 C ATOM 467 CG PHE B 36 19.732 10.719 -4.346 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.484 12.092 -4.221 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.962 9.943 -3.202 1.00 0.00 C ATOM 470 CE1 PHE B 36 19.474 12.694 -2.956 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.956 10.544 -1.936 1.00 0.00 C ATOM 472 CZ PHE B 36 19.714 11.920 -1.811 1.00 0.00 C ATOM 0 H PHE B 36 20.715 12.003 -6.978 1.00 0.00 H new ATOM 0 HA PHE B 36 21.871 9.838 -5.545 1.00 0.00 H new ATOM 0 HB2 PHE B 36 19.076 10.601 -6.373 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.397 9.047 -5.629 1.00 0.00 H new ATOM 0 HD1 PHE B 36 19.300 12.688 -5.102 1.00 0.00 H new ATOM 0 HD2 PHE B 36 20.144 8.883 -3.296 1.00 0.00 H new ATOM 0 HE1 PHE B 36 19.282 13.753 -2.862 1.00 0.00 H new ATOM 0 HE2 PHE B 36 20.138 9.947 -1.055 1.00 0.00 H new ATOM 0 HZ PHE B 36 19.712 12.383 -0.835 1.00 0.00 H new ATOM 482 N SER B 37 21.454 9.262 -8.626 1.00 0.00 N ATOM 483 CA SER B 37 21.743 8.278 -9.654 1.00 0.00 C ATOM 484 C SER B 37 23.205 7.856 -9.578 1.00 0.00 C ATOM 485 O SER B 37 23.547 6.715 -9.889 1.00 0.00 O ATOM 486 CB SER B 37 21.417 8.861 -11.029 1.00 0.00 C ATOM 487 OG SER B 37 21.759 7.937 -12.040 1.00 0.00 O ATOM 0 H SER B 37 21.335 10.213 -8.975 1.00 0.00 H new ATOM 0 HA SER B 37 21.125 7.395 -9.494 1.00 0.00 H new ATOM 0 HB2 SER B 37 20.355 9.101 -11.089 1.00 0.00 H new ATOM 0 HB3 SER B 37 21.963 9.793 -11.177 1.00 0.00 H new ATOM 0 HG SER B 37 21.545 8.318 -12.917 1.00 0.00 H new ATOM 493 N LYS B 38 24.089 8.776 -9.158 1.00 0.00 N ATOM 494 CA LYS B 38 25.483 8.436 -8.904 1.00 0.00 C ATOM 495 C LYS B 38 25.612 7.619 -7.618 1.00 0.00 C ATOM 496 O LYS B 38 26.551 6.836 -7.483 1.00 0.00 O ATOM 497 CB LYS B 38 26.330 9.711 -8.816 1.00 0.00 C ATOM 498 CG LYS B 38 26.307 10.500 -10.129 1.00 0.00 C ATOM 499 CD LYS B 38 26.941 9.697 -11.268 1.00 0.00 C ATOM 500 CE LYS B 38 26.976 10.560 -12.531 1.00 0.00 C ATOM 501 NZ LYS B 38 27.595 9.828 -13.653 1.00 0.00 N ATOM 0 H LYS B 38 23.856 9.755 -8.990 1.00 0.00 H new ATOM 0 HA LYS B 38 25.849 7.829 -9.732 1.00 0.00 H new ATOM 0 HB2 LYS B 38 25.958 10.340 -8.007 1.00 0.00 H new ATOM 0 HB3 LYS B 38 27.358 9.448 -8.568 1.00 0.00 H new ATOM 0 HG2 LYS B 38 25.278 10.752 -10.387 1.00 0.00 H new ATOM 0 HG3 LYS B 38 26.843 11.440 -10.001 1.00 0.00 H new ATOM 0 HD2 LYS B 38 27.950 9.390 -10.995 1.00 0.00 H new ATOM 0 HD3 LYS B 38 26.369 8.787 -11.450 1.00 0.00 H new ATOM 0 HE2 LYS B 38 25.963 10.858 -12.801 1.00 0.00 H new ATOM 0 HE3 LYS B 38 27.536 11.475 -12.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 27.607 10.434 -14.498 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 28.569 9.566 -13.401 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 27.045 8.968 -13.852 1.00 0.00 H new ATOM 515 N TYR B 39 24.675 7.797 -6.678 1.00 0.00 N ATOM 516 CA TYR B 39 24.653 7.012 -5.452 1.00 0.00 C ATOM 517 C TYR B 39 24.072 5.605 -5.589 1.00 0.00 C ATOM 518 O TYR B 39 24.304 4.761 -4.726 1.00 0.00 O ATOM 519 CB TYR B 39 24.003 7.799 -4.312 1.00 0.00 C ATOM 520 CG TYR B 39 24.922 8.839 -3.716 1.00 0.00 C ATOM 521 CD1 TYR B 39 24.765 10.192 -4.053 1.00 0.00 C ATOM 522 CD2 TYR B 39 25.939 8.445 -2.831 1.00 0.00 C ATOM 523 CE1 TYR B 39 25.648 11.152 -3.537 1.00 0.00 C ATOM 524 CE2 TYR B 39 26.828 9.398 -2.315 1.00 0.00 C ATOM 525 CZ TYR B 39 26.690 10.756 -2.677 1.00 0.00 C ATOM 526 OH TYR B 39 27.562 11.688 -2.195 1.00 0.00 O ATOM 0 H TYR B 39 23.923 8.482 -6.750 1.00 0.00 H new ATOM 0 HA TYR B 39 25.700 6.836 -5.205 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.102 8.288 -4.682 1.00 0.00 H new ATOM 0 HB3 TYR B 39 23.692 7.106 -3.530 1.00 0.00 H new ATOM 0 HD1 TYR B 39 23.963 10.495 -4.710 1.00 0.00 H new ATOM 0 HD2 TYR B 39 26.036 7.407 -2.548 1.00 0.00 H new ATOM 0 HE1 TYR B 39 25.529 12.193 -3.799 1.00 0.00 H new ATOM 0 HE2 TYR B 39 27.617 9.094 -1.642 1.00 0.00 H new ATOM 0 HH TYR B 39 27.704 11.539 -1.237 1.00 0.00 H new ATOM 536 N GLY B 40 23.319 5.349 -6.662 1.00 0.00 N ATOM 537 CA GLY B 40 22.769 4.025 -6.917 1.00 0.00 C ATOM 538 C GLY B 40 21.818 4.032 -8.109 1.00 0.00 C ATOM 539 O GLY B 40 21.412 5.091 -8.585 1.00 0.00 O ATOM 0 H GLY B 40 23.079 6.046 -7.367 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.581 3.323 -7.103 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.240 3.673 -6.031 1.00 0.00 H new ATOM 543 N ALA B 41 21.463 2.840 -8.594 1.00 0.00 N ATOM 544 CA ALA B 41 20.559 2.698 -9.720 1.00 0.00 C ATOM 545 C ALA B 41 19.128 2.965 -9.261 1.00 0.00 C ATOM 546 O ALA B 41 18.520 2.129 -8.593 1.00 0.00 O ATOM 547 CB ALA B 41 20.696 1.288 -10.303 1.00 0.00 C ATOM 0 H ALA B 41 21.797 1.954 -8.214 1.00 0.00 H new ATOM 0 HA ALA B 41 20.810 3.420 -10.497 1.00 0.00 H new ATOM 0 HB1 ALA B 41 20.018 1.177 -11.149 1.00 0.00 H new ATOM 0 HB2 ALA B 41 21.722 1.130 -10.636 1.00 0.00 H new ATOM 0 HB3 ALA B 41 20.445 0.552 -9.539 1.00 0.00 H new ATOM 553 N ILE B 42 18.590 4.134 -9.624 1.00 0.00 N ATOM 554 CA ILE B 42 17.244 4.523 -9.231 1.00 0.00 C ATOM 555 C ILE B 42 16.210 3.849 -10.125 1.00 0.00 C ATOM 556 O ILE B 42 16.428 3.701 -11.327 1.00 0.00 O ATOM 557 CB ILE B 42 17.108 6.048 -9.299 1.00 0.00 C ATOM 558 CG1 ILE B 42 18.056 6.704 -8.291 1.00 0.00 C ATOM 559 CG2 ILE B 42 15.665 6.462 -9.011 1.00 0.00 C ATOM 560 CD1 ILE B 42 18.000 8.226 -8.397 1.00 0.00 C ATOM 0 H ILE B 42 19.075 4.827 -10.193 1.00 0.00 H new ATOM 0 HA ILE B 42 17.065 4.198 -8.206 1.00 0.00 H new ATOM 0 HB ILE B 42 17.374 6.381 -10.302 1.00 0.00 H new ATOM 0 HG12 ILE B 42 17.787 6.396 -7.280 1.00 0.00 H new ATOM 0 HG13 ILE B 42 19.075 6.361 -8.468 1.00 0.00 H new ATOM 0 HG21 ILE B 42 15.581 7.548 -9.062 1.00 0.00 H new ATOM 0 HG22 ILE B 42 15.003 6.011 -9.750 1.00 0.00 H new ATOM 0 HG23 ILE B 42 15.381 6.123 -8.015 1.00 0.00 H new ATOM 0 HD11 ILE B 42 18.683 8.667 -7.670 1.00 0.00 H new ATOM 0 HD12 ILE B 42 18.293 8.532 -9.402 1.00 0.00 H new ATOM 0 HD13 ILE B 42 16.985 8.568 -8.195 1.00 0.00 H new ATOM 572 N ARG B 43 15.080 3.443 -9.538 1.00 0.00 N ATOM 573 CA ARG B 43 13.938 2.937 -10.287 1.00 0.00 C ATOM 574 C ARG B 43 12.830 3.980 -10.308 1.00 0.00 C ATOM 575 O ARG B 43 12.088 4.058 -11.284 1.00 0.00 O ATOM 576 CB ARG B 43 13.430 1.638 -9.654 1.00 0.00 C ATOM 577 CG ARG B 43 14.498 0.537 -9.624 1.00 0.00 C ATOM 578 CD ARG B 43 14.849 0.045 -11.028 1.00 0.00 C ATOM 579 NE ARG B 43 15.763 0.961 -11.714 1.00 0.00 N ATOM 580 CZ ARG B 43 16.501 0.624 -12.775 1.00 0.00 C ATOM 581 NH1 ARG B 43 16.424 -0.601 -13.291 1.00 0.00 N ATOM 582 NH2 ARG B 43 17.317 1.519 -13.325 1.00 0.00 N ATOM 0 H ARG B 43 14.937 3.458 -8.528 1.00 0.00 H new ATOM 0 HA ARG B 43 14.247 2.730 -11.312 1.00 0.00 H new ATOM 0 HB2 ARG B 43 13.095 1.841 -8.637 1.00 0.00 H new ATOM 0 HB3 ARG B 43 12.563 1.282 -10.210 1.00 0.00 H new ATOM 0 HG2 ARG B 43 15.396 0.916 -9.137 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.140 -0.300 -9.025 1.00 0.00 H new ATOM 0 HD2 ARG B 43 15.305 -0.943 -10.963 1.00 0.00 H new ATOM 0 HD3 ARG B 43 13.936 -0.064 -11.614 1.00 0.00 H new ATOM 0 HE ARG B 43 15.841 1.914 -11.360 1.00 0.00 H new ATOM 0 HH11 ARG B 43 15.798 -1.291 -12.876 1.00 0.00 H new ATOM 0 HH12 ARG B 43 16.991 -0.850 -14.101 1.00 0.00 H new ATOM 0 HH21 ARG B 43 17.378 2.460 -12.936 1.00 0.00 H new ATOM 0 HH22 ARG B 43 17.882 1.264 -14.135 1.00 0.00 H new ATOM 596 N ASP B 44 12.720 4.772 -9.237 1.00 0.00 N ATOM 597 CA ASP B 44 11.724 5.839 -9.129 1.00 0.00 C ATOM 598 C ASP B 44 12.141 6.998 -8.226 1.00 0.00 C ATOM 599 O ASP B 44 12.968 6.833 -7.327 1.00 0.00 O ATOM 600 CB ASP B 44 10.371 5.274 -8.674 1.00 0.00 C ATOM 601 CG ASP B 44 9.497 4.777 -9.826 1.00 0.00 C ATOM 602 OD1 ASP B 44 9.650 5.302 -10.952 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.672 3.872 -9.567 1.00 0.00 O ATOM 0 H ASP B 44 13.322 4.690 -8.418 1.00 0.00 H new ATOM 0 HA ASP B 44 11.635 6.256 -10.132 1.00 0.00 H new ATOM 0 HB2 ASP B 44 10.545 4.452 -7.980 1.00 0.00 H new ATOM 0 HB3 ASP B 44 9.830 6.045 -8.125 1.00 0.00 H new ATOM 608 N ILE B 45 11.555 8.171 -8.476 1.00 0.00 N ATOM 609 CA ILE B 45 11.747 9.362 -7.662 1.00 0.00 C ATOM 610 C ILE B 45 10.408 9.754 -7.048 1.00 0.00 C ATOM 611 O ILE B 45 9.356 9.507 -7.636 1.00 0.00 O ATOM 612 CB ILE B 45 12.333 10.499 -8.520 1.00 0.00 C ATOM 613 CG1 ILE B 45 13.800 10.232 -8.855 1.00 0.00 C ATOM 614 CG2 ILE B 45 12.260 11.827 -7.757 1.00 0.00 C ATOM 615 CD1 ILE B 45 13.935 9.448 -10.163 1.00 0.00 C ATOM 0 H ILE B 45 10.924 8.317 -9.264 1.00 0.00 H new ATOM 0 HA ILE B 45 12.456 9.163 -6.859 1.00 0.00 H new ATOM 0 HB ILE B 45 11.748 10.550 -9.438 1.00 0.00 H new ATOM 0 HG12 ILE B 45 14.335 11.178 -8.938 1.00 0.00 H new ATOM 0 HG13 ILE B 45 14.265 9.673 -8.043 1.00 0.00 H new ATOM 0 HG21 ILE B 45 12.677 12.624 -8.373 1.00 0.00 H new ATOM 0 HG22 ILE B 45 11.220 12.056 -7.523 1.00 0.00 H new ATOM 0 HG23 ILE B 45 12.831 11.747 -6.832 1.00 0.00 H new ATOM 0 HD11 ILE B 45 14.990 9.273 -10.375 1.00 0.00 H new ATOM 0 HD12 ILE B 45 13.420 8.492 -10.069 1.00 0.00 H new ATOM 0 HD13 ILE B 45 13.491 10.020 -10.978 1.00 0.00 H new ATOM 627 N ASP B 46 10.439 10.367 -5.864 1.00 0.00 N ATOM 628 CA ASP B 46 9.224 10.752 -5.170 1.00 0.00 C ATOM 629 C ASP B 46 9.459 12.048 -4.395 1.00 0.00 C ATOM 630 O ASP B 46 9.201 12.126 -3.193 1.00 0.00 O ATOM 631 CB ASP B 46 8.793 9.596 -4.267 1.00 0.00 C ATOM 632 CG ASP B 46 7.453 9.853 -3.580 1.00 0.00 C ATOM 633 OD1 ASP B 46 7.130 9.069 -2.662 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.761 10.820 -3.972 1.00 0.00 O ATOM 0 H ASP B 46 11.299 10.605 -5.370 1.00 0.00 H new ATOM 0 HA ASP B 46 8.417 10.949 -5.875 1.00 0.00 H new ATOM 0 HB2 ASP B 46 8.724 8.684 -4.860 1.00 0.00 H new ATOM 0 HB3 ASP B 46 9.558 9.427 -3.510 1.00 0.00 H new ATOM 639 N LEU B 47 9.959 13.076 -5.091 1.00 0.00 N ATOM 640 CA LEU B 47 10.106 14.409 -4.527 1.00 0.00 C ATOM 641 C LEU B 47 8.733 14.979 -4.162 1.00 0.00 C ATOM 642 O LEU B 47 7.789 14.873 -4.943 1.00 0.00 O ATOM 643 CB LEU B 47 10.832 15.300 -5.544 1.00 0.00 C ATOM 644 CG LEU B 47 10.837 16.779 -5.138 1.00 0.00 C ATOM 645 CD1 LEU B 47 11.634 16.995 -3.852 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.482 17.595 -6.255 1.00 0.00 C ATOM 0 H LEU B 47 10.271 13.000 -6.059 1.00 0.00 H new ATOM 0 HA LEU B 47 10.697 14.368 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.860 14.955 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU B 47 10.354 15.196 -6.518 1.00 0.00 H new ATOM 0 HG LEU B 47 9.808 17.095 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU B 47 11.620 18.053 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU B 47 11.187 16.414 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU B 47 12.664 16.672 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU B 47 11.491 18.649 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.505 17.252 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU B 47 10.911 17.467 -7.175 1.00 0.00 H new ATOM 658 N LYS B 48 8.629 15.581 -2.973 1.00 0.00 N ATOM 659 CA LYS B 48 7.403 16.194 -2.497 1.00 0.00 C ATOM 660 C LYS B 48 7.655 17.635 -2.064 1.00 0.00 C ATOM 661 O LYS B 48 8.714 17.952 -1.529 1.00 0.00 O ATOM 662 CB LYS B 48 6.856 15.383 -1.320 1.00 0.00 C ATOM 663 CG LYS B 48 6.172 14.092 -1.779 1.00 0.00 C ATOM 664 CD LYS B 48 5.496 13.435 -0.573 1.00 0.00 C ATOM 665 CE LYS B 48 4.711 12.189 -0.987 1.00 0.00 C ATOM 666 NZ LYS B 48 5.604 11.113 -1.446 1.00 0.00 N ATOM 0 H LYS B 48 9.405 15.653 -2.315 1.00 0.00 H new ATOM 0 HA LYS B 48 6.674 16.203 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.671 15.139 -0.639 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.145 15.991 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.435 14.310 -2.552 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.903 13.413 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.250 13.164 0.166 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.824 14.149 -0.096 1.00 0.00 H new ATOM 0 HE2 LYS B 48 4.118 11.835 -0.144 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.012 12.447 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 5.129 10.195 -1.331 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 5.837 11.259 -2.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 6.478 11.123 -0.882 1.00 0.00 H new ATOM 680 N ASN B 49 6.669 18.503 -2.297 1.00 0.00 N ATOM 681 CA ASN B 49 6.696 19.863 -1.773 1.00 0.00 C ATOM 682 C ASN B 49 6.346 19.837 -0.286 1.00 0.00 C ATOM 683 O ASN B 49 5.908 18.808 0.230 1.00 0.00 O ATOM 684 CB ASN B 49 5.703 20.734 -2.552 1.00 0.00 C ATOM 685 CG ASN B 49 6.016 20.768 -4.041 1.00 0.00 C ATOM 686 OD1 ASN B 49 7.138 20.492 -4.458 1.00 0.00 O ATOM 687 ND2 ASN B 49 5.020 21.108 -4.855 1.00 0.00 N ATOM 0 H ASN B 49 5.839 18.283 -2.848 1.00 0.00 H new ATOM 0 HA ASN B 49 7.693 20.288 -1.891 1.00 0.00 H new ATOM 0 HB2 ASN B 49 4.693 20.353 -2.403 1.00 0.00 H new ATOM 0 HB3 ASN B 49 5.722 21.749 -2.155 1.00 0.00 H new ATOM 0 HD21 ASN B 49 5.175 21.146 -5.862 1.00 0.00 H new ATOM 0 HD22 ASN B 49 4.101 21.331 -4.472 1.00 0.00 H new ATOM 770 N PRO B 55 11.276 21.346 1.613 1.00 0.00 N ATOM 771 CA PRO B 55 10.785 20.185 0.898 1.00 0.00 C ATOM 772 C PRO B 55 11.540 18.923 1.318 1.00 0.00 C ATOM 773 O PRO B 55 12.573 19.004 1.985 1.00 0.00 O ATOM 774 CB PRO B 55 11.004 20.494 -0.583 1.00 0.00 C ATOM 775 CG PRO B 55 12.131 21.529 -0.589 1.00 0.00 C ATOM 776 CD PRO B 55 11.937 22.280 0.726 1.00 0.00 C ATOM 0 HA PRO B 55 9.734 19.993 1.114 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.282 19.599 -1.139 1.00 0.00 H new ATOM 0 HB3 PRO B 55 10.099 20.888 -1.045 1.00 0.00 H new ATOM 0 HG2 PRO B 55 13.111 21.054 -0.639 1.00 0.00 H new ATOM 0 HG3 PRO B 55 12.057 22.197 -1.447 1.00 0.00 H new ATOM 0 HD2 PRO B 55 12.893 22.602 1.138 1.00 0.00 H new ATOM 0 HD3 PRO B 55 11.334 23.176 0.580 1.00 0.00 H new ATOM 784 N PHE B 56 11.025 17.755 0.927 1.00 0.00 N ATOM 785 CA PHE B 56 11.609 16.476 1.305 1.00 0.00 C ATOM 786 C PHE B 56 11.233 15.492 0.196 1.00 0.00 C ATOM 787 O PHE B 56 10.359 15.782 -0.621 1.00 0.00 O ATOM 788 CB PHE B 56 11.018 16.040 2.649 1.00 0.00 C ATOM 789 CG PHE B 56 9.616 15.468 2.590 1.00 0.00 C ATOM 790 CD1 PHE B 56 8.535 16.261 2.179 1.00 0.00 C ATOM 791 CD2 PHE B 56 9.397 14.135 2.969 1.00 0.00 C ATOM 792 CE1 PHE B 56 7.239 15.722 2.158 1.00 0.00 C ATOM 793 CE2 PHE B 56 8.098 13.611 2.981 1.00 0.00 C ATOM 794 CZ PHE B 56 7.019 14.400 2.567 1.00 0.00 C ATOM 0 H PHE B 56 10.194 17.674 0.341 1.00 0.00 H new ATOM 0 HA PHE B 56 12.692 16.528 1.417 1.00 0.00 H new ATOM 0 HB2 PHE B 56 11.678 15.294 3.091 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.013 16.899 3.320 1.00 0.00 H new ATOM 0 HD1 PHE B 56 8.699 17.285 1.879 1.00 0.00 H new ATOM 0 HD2 PHE B 56 10.232 13.511 3.252 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.409 16.328 1.826 1.00 0.00 H new ATOM 0 HE2 PHE B 56 7.929 12.596 3.310 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.019 13.991 2.563 1.00 0.00 H new ATOM 804 N ALA B 57 11.890 14.335 0.162 1.00 0.00 N ATOM 805 CA ALA B 57 11.716 13.402 -0.938 1.00 0.00 C ATOM 806 C ALA B 57 12.014 11.972 -0.508 1.00 0.00 C ATOM 807 O ALA B 57 12.536 11.729 0.578 1.00 0.00 O ATOM 808 CB ALA B 57 12.658 13.805 -2.075 1.00 0.00 C ATOM 0 H ALA B 57 12.544 14.026 0.882 1.00 0.00 H new ATOM 0 HA ALA B 57 10.678 13.439 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.539 13.113 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.418 14.816 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.689 13.773 -1.722 1.00 0.00 H new ATOM 814 N PHE B 58 11.675 11.026 -1.386 1.00 0.00 N ATOM 815 CA PHE B 58 12.039 9.628 -1.231 1.00 0.00 C ATOM 816 C PHE B 58 12.612 9.135 -2.551 1.00 0.00 C ATOM 817 O PHE B 58 12.353 9.720 -3.601 1.00 0.00 O ATOM 818 CB PHE B 58 10.816 8.805 -0.822 1.00 0.00 C ATOM 819 CG PHE B 58 10.147 9.299 0.435 1.00 0.00 C ATOM 820 CD1 PHE B 58 9.019 10.128 0.352 1.00 0.00 C ATOM 821 CD2 PHE B 58 10.656 8.929 1.686 1.00 0.00 C ATOM 822 CE1 PHE B 58 8.420 10.612 1.523 1.00 0.00 C ATOM 823 CE2 PHE B 58 10.044 9.394 2.855 1.00 0.00 C ATOM 824 CZ PHE B 58 8.931 10.240 2.774 1.00 0.00 C ATOM 0 H PHE B 58 11.135 11.217 -2.230 1.00 0.00 H new ATOM 0 HA PHE B 58 12.787 9.517 -0.446 1.00 0.00 H new ATOM 0 HB2 PHE B 58 10.092 8.816 -1.637 1.00 0.00 H new ATOM 0 HB3 PHE B 58 11.118 7.768 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE B 58 8.612 10.393 -0.613 1.00 0.00 H new ATOM 0 HD2 PHE B 58 11.521 8.285 1.748 1.00 0.00 H new ATOM 0 HE1 PHE B 58 7.566 11.270 1.462 1.00 0.00 H new ATOM 0 HE2 PHE B 58 10.430 9.100 3.820 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.466 10.606 3.677 1.00 0.00 H new ATOM 834 N VAL B 59 13.397 8.058 -2.494 1.00 0.00 N ATOM 835 CA VAL B 59 14.048 7.499 -3.667 1.00 0.00 C ATOM 836 C VAL B 59 13.987 5.986 -3.576 1.00 0.00 C ATOM 837 O VAL B 59 14.251 5.423 -2.520 1.00 0.00 O ATOM 838 CB VAL B 59 15.501 7.980 -3.712 1.00 0.00 C ATOM 839 CG1 VAL B 59 16.266 7.278 -4.835 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.554 9.493 -3.937 1.00 0.00 C ATOM 0 H VAL B 59 13.596 7.553 -1.630 1.00 0.00 H new ATOM 0 HA VAL B 59 13.547 7.824 -4.579 1.00 0.00 H new ATOM 0 HB VAL B 59 15.966 7.738 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL B 59 17.296 7.633 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL B 59 16.256 6.201 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.792 7.498 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.593 9.820 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL B 59 15.069 9.737 -4.882 1.00 0.00 H new ATOM 0 HG23 VAL B 59 15.037 10.000 -3.122 1.00 0.00 H new ATOM 850 N GLU B 60 13.638 5.327 -4.682 1.00 0.00 N ATOM 851 CA GLU B 60 13.541 3.877 -4.723 1.00 0.00 C ATOM 852 C GLU B 60 14.658 3.301 -5.582 1.00 0.00 C ATOM 853 O GLU B 60 14.669 3.492 -6.796 1.00 0.00 O ATOM 854 CB GLU B 60 12.158 3.465 -5.229 1.00 0.00 C ATOM 855 CG GLU B 60 12.106 1.949 -5.445 1.00 0.00 C ATOM 856 CD GLU B 60 10.679 1.434 -5.612 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.739 2.234 -5.398 1.00 0.00 O ATOM 858 OE2 GLU B 60 10.537 0.239 -5.954 1.00 0.00 O ATOM 0 H GLU B 60 13.417 5.785 -5.566 1.00 0.00 H new ATOM 0 HA GLU B 60 13.661 3.472 -3.718 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.395 3.764 -4.510 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.935 3.981 -6.163 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.689 1.690 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.574 1.448 -4.598 1.00 0.00 H new ATOM 865 N PHE B 61 15.594 2.592 -4.941 1.00 0.00 N ATOM 866 CA PHE B 61 16.684 1.925 -5.640 1.00 0.00 C ATOM 867 C PHE B 61 16.289 0.586 -6.255 1.00 0.00 C ATOM 868 O PHE B 61 15.268 0.005 -5.887 1.00 0.00 O ATOM 869 CB PHE B 61 17.887 1.752 -4.711 1.00 0.00 C ATOM 870 CG PHE B 61 18.578 3.049 -4.359 1.00 0.00 C ATOM 871 CD1 PHE B 61 19.127 3.853 -5.368 1.00 0.00 C ATOM 872 CD2 PHE B 61 18.671 3.440 -3.018 1.00 0.00 C ATOM 873 CE1 PHE B 61 19.775 5.050 -5.034 1.00 0.00 C ATOM 874 CE2 PHE B 61 19.323 4.632 -2.682 1.00 0.00 C ATOM 875 CZ PHE B 61 19.874 5.439 -3.688 1.00 0.00 C ATOM 0 H PHE B 61 15.612 2.468 -3.929 1.00 0.00 H new ATOM 0 HA PHE B 61 16.953 2.574 -6.473 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.558 1.266 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.607 1.085 -5.185 1.00 0.00 H new ATOM 0 HD1 PHE B 61 19.051 3.550 -6.402 1.00 0.00 H new ATOM 0 HD2 PHE B 61 18.240 2.823 -2.244 1.00 0.00 H new ATOM 0 HE1 PHE B 61 20.197 5.672 -5.810 1.00 0.00 H new ATOM 0 HE2 PHE B 61 19.402 4.931 -1.647 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.375 6.360 -3.428 1.00 0.00 H new ATOM 885 N GLU B 62 17.098 0.094 -7.198 1.00 0.00 N ATOM 886 CA GLU B 62 16.905 -1.227 -7.772 1.00 0.00 C ATOM 887 C GLU B 62 17.338 -2.301 -6.770 1.00 0.00 C ATOM 888 O GLU B 62 16.703 -3.349 -6.670 1.00 0.00 O ATOM 889 CB GLU B 62 17.718 -1.322 -9.065 1.00 0.00 C ATOM 890 CG GLU B 62 17.529 -2.696 -9.720 1.00 0.00 C ATOM 891 CD GLU B 62 18.315 -2.818 -11.027 1.00 0.00 C ATOM 892 OE1 GLU B 62 18.959 -1.820 -11.418 1.00 0.00 O ATOM 893 OE2 GLU B 62 18.260 -3.917 -11.624 1.00 0.00 O ATOM 0 H GLU B 62 17.897 0.601 -7.578 1.00 0.00 H new ATOM 0 HA GLU B 62 15.851 -1.389 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.407 -0.538 -9.755 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.774 -1.157 -8.850 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.851 -3.475 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU B 62 16.470 -2.862 -9.917 1.00 0.00 H new ATOM 900 N ASP B 63 18.419 -2.026 -6.030 1.00 0.00 N ATOM 901 CA ASP B 63 18.954 -2.928 -5.016 1.00 0.00 C ATOM 902 C ASP B 63 19.064 -2.199 -3.676 1.00 0.00 C ATOM 903 O ASP B 63 19.316 -0.995 -3.647 1.00 0.00 O ATOM 904 CB ASP B 63 20.329 -3.454 -5.442 1.00 0.00 C ATOM 905 CG ASP B 63 20.296 -4.269 -6.735 1.00 0.00 C ATOM 906 OD1 ASP B 63 19.206 -4.752 -7.102 1.00 0.00 O ATOM 907 OD2 ASP B 63 21.382 -4.399 -7.343 1.00 0.00 O ATOM 0 H ASP B 63 18.949 -1.160 -6.123 1.00 0.00 H new ATOM 0 HA ASP B 63 18.276 -3.774 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP B 63 21.008 -2.611 -5.570 1.00 0.00 H new ATOM 0 HB3 ASP B 63 20.736 -4.072 -4.642 1.00 0.00 H new ATOM 912 N PRO B 64 18.881 -2.915 -2.558 1.00 0.00 N ATOM 913 CA PRO B 64 18.925 -2.340 -1.225 1.00 0.00 C ATOM 914 C PRO B 64 20.353 -1.953 -0.825 1.00 0.00 C ATOM 915 O PRO B 64 20.546 -1.190 0.116 1.00 0.00 O ATOM 916 CB PRO B 64 18.377 -3.428 -0.299 1.00 0.00 C ATOM 917 CG PRO B 64 18.683 -4.731 -1.041 1.00 0.00 C ATOM 918 CD PRO B 64 18.610 -4.340 -2.515 1.00 0.00 C ATOM 0 HA PRO B 64 18.341 -1.421 -1.169 1.00 0.00 H new ATOM 0 HB2 PRO B 64 18.860 -3.402 0.678 1.00 0.00 H new ATOM 0 HB3 PRO B 64 17.307 -3.307 -0.129 1.00 0.00 H new ATOM 0 HG2 PRO B 64 19.668 -5.118 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO B 64 17.959 -5.509 -0.798 1.00 0.00 H new ATOM 0 HD2 PRO B 64 19.340 -4.895 -3.104 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.628 -4.564 -2.931 1.00 0.00 H new ATOM 926 N ARG B 65 21.356 -2.479 -1.541 1.00 0.00 N ATOM 927 CA ARG B 65 22.759 -2.228 -1.234 1.00 0.00 C ATOM 928 C ARG B 65 23.158 -0.793 -1.588 1.00 0.00 C ATOM 929 O ARG B 65 24.195 -0.314 -1.139 1.00 0.00 O ATOM 930 CB ARG B 65 23.630 -3.234 -1.994 1.00 0.00 C ATOM 931 CG ARG B 65 23.448 -3.070 -3.505 1.00 0.00 C ATOM 932 CD ARG B 65 24.152 -4.196 -4.253 1.00 0.00 C ATOM 933 NE ARG B 65 23.795 -4.174 -5.677 1.00 0.00 N ATOM 934 CZ ARG B 65 24.633 -3.870 -6.672 1.00 0.00 C ATOM 935 NH1 ARG B 65 25.905 -3.562 -6.425 1.00 0.00 N ATOM 936 NH2 ARG B 65 24.189 -3.874 -7.922 1.00 0.00 N ATOM 0 H ARG B 65 21.212 -3.088 -2.346 1.00 0.00 H new ATOM 0 HA ARG B 65 22.911 -2.352 -0.162 1.00 0.00 H new ATOM 0 HB2 ARG B 65 24.678 -3.088 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG B 65 23.365 -4.249 -1.698 1.00 0.00 H new ATOM 0 HG2 ARG B 65 22.386 -3.070 -3.751 1.00 0.00 H new ATOM 0 HG3 ARG B 65 23.849 -2.108 -3.823 1.00 0.00 H new ATOM 0 HD2 ARG B 65 25.232 -4.094 -4.142 1.00 0.00 H new ATOM 0 HD3 ARG B 65 23.876 -5.157 -3.818 1.00 0.00 H new ATOM 0 HE ARG B 65 22.834 -4.409 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG B 65 26.251 -3.556 -5.466 1.00 0.00 H new ATOM 0 HH12 ARG B 65 26.533 -3.332 -7.195 1.00 0.00 H new ATOM 0 HH21 ARG B 65 23.215 -4.108 -8.117 1.00 0.00 H new ATOM 0 HH22 ARG B 65 24.821 -3.643 -8.688 1.00 0.00 H new ATOM 950 N ASP B 66 22.340 -0.106 -2.390 1.00 0.00 N ATOM 951 CA ASP B 66 22.623 1.272 -2.770 1.00 0.00 C ATOM 952 C ASP B 66 22.377 2.252 -1.618 1.00 0.00 C ATOM 953 O ASP B 66 22.914 3.358 -1.615 1.00 0.00 O ATOM 954 CB ASP B 66 21.806 1.646 -4.007 1.00 0.00 C ATOM 955 CG ASP B 66 22.267 0.896 -5.256 1.00 0.00 C ATOM 956 OD1 ASP B 66 21.590 1.044 -6.297 1.00 0.00 O ATOM 957 OD2 ASP B 66 23.290 0.183 -5.164 1.00 0.00 O ATOM 0 H ASP B 66 21.479 -0.484 -2.786 1.00 0.00 H new ATOM 0 HA ASP B 66 23.683 1.345 -3.013 1.00 0.00 H new ATOM 0 HB2 ASP B 66 20.754 1.429 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP B 66 21.885 2.719 -4.181 1.00 0.00 H new ATOM 962 N ALA B 67 21.563 1.843 -0.638 1.00 0.00 N ATOM 963 CA ALA B 67 21.275 2.672 0.514 1.00 0.00 C ATOM 964 C ALA B 67 22.508 2.772 1.413 1.00 0.00 C ATOM 965 O ALA B 67 22.592 3.670 2.247 1.00 0.00 O ATOM 966 CB ALA B 67 20.095 2.073 1.277 1.00 0.00 C ATOM 0 H ALA B 67 21.095 0.937 -0.630 1.00 0.00 H new ATOM 0 HA ALA B 67 21.014 3.679 0.187 1.00 0.00 H new ATOM 0 HB1 ALA B 67 19.872 2.692 2.146 1.00 0.00 H new ATOM 0 HB2 ALA B 67 19.222 2.035 0.625 1.00 0.00 H new ATOM 0 HB3 ALA B 67 20.348 1.065 1.605 1.00 0.00 H new ATOM 972 N GLU B 68 23.467 1.856 1.252 1.00 0.00 N ATOM 973 CA GLU B 68 24.684 1.884 2.048 1.00 0.00 C ATOM 974 C GLU B 68 25.603 3.015 1.581 1.00 0.00 C ATOM 975 O GLU B 68 26.507 3.416 2.311 1.00 0.00 O ATOM 976 CB GLU B 68 25.405 0.538 1.923 1.00 0.00 C ATOM 977 CG GLU B 68 24.508 -0.626 2.371 1.00 0.00 C ATOM 978 CD GLU B 68 24.158 -0.563 3.858 1.00 0.00 C ATOM 979 OE1 GLU B 68 24.799 0.231 4.580 1.00 0.00 O ATOM 980 OE2 GLU B 68 23.245 -1.321 4.258 1.00 0.00 O ATOM 0 H GLU B 68 23.419 1.091 0.579 1.00 0.00 H new ATOM 0 HA GLU B 68 24.422 2.061 3.091 1.00 0.00 H new ATOM 0 HB2 GLU B 68 25.713 0.384 0.889 1.00 0.00 H new ATOM 0 HB3 GLU B 68 26.312 0.553 2.527 1.00 0.00 H new ATOM 0 HG2 GLU B 68 23.589 -0.617 1.785 1.00 0.00 H new ATOM 0 HG3 GLU B 68 25.012 -1.569 2.160 1.00 0.00 H new ATOM 987 N ASP B 69 25.376 3.533 0.368 1.00 0.00 N ATOM 988 CA ASP B 69 26.200 4.591 -0.200 1.00 0.00 C ATOM 989 C ASP B 69 25.586 5.979 -0.023 1.00 0.00 C ATOM 990 O ASP B 69 26.302 6.940 0.258 1.00 0.00 O ATOM 991 CB ASP B 69 26.483 4.300 -1.677 1.00 0.00 C ATOM 992 CG ASP B 69 27.408 3.099 -1.876 1.00 0.00 C ATOM 993 OD1 ASP B 69 27.637 2.743 -3.054 1.00 0.00 O ATOM 994 OD2 ASP B 69 27.880 2.544 -0.856 1.00 0.00 O ATOM 0 H ASP B 69 24.617 3.227 -0.241 1.00 0.00 H new ATOM 0 HA ASP B 69 27.141 4.601 0.351 1.00 0.00 H new ATOM 0 HB2 ASP B 69 25.541 4.117 -2.194 1.00 0.00 H new ATOM 0 HB3 ASP B 69 26.933 5.180 -2.137 1.00 0.00 H new ATOM 999 N ALA B 70 24.268 6.096 -0.182 1.00 0.00 N ATOM 1000 CA ALA B 70 23.598 7.380 -0.061 1.00 0.00 C ATOM 1001 C ALA B 70 23.497 7.803 1.404 1.00 0.00 C ATOM 1002 O ALA B 70 23.518 8.993 1.708 1.00 0.00 O ATOM 1003 CB ALA B 70 22.205 7.269 -0.677 1.00 0.00 C ATOM 0 H ALA B 70 23.648 5.315 -0.395 1.00 0.00 H new ATOM 0 HA ALA B 70 24.176 8.139 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.692 8.227 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.293 6.996 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.634 6.504 -0.150 1.00 0.00 H new ATOM 1009 N VAL B 71 23.387 6.827 2.310 1.00 0.00 N ATOM 1010 CA VAL B 71 23.172 7.086 3.730 1.00 0.00 C ATOM 1011 C VAL B 71 24.499 7.269 4.478 1.00 0.00 C ATOM 1012 O VAL B 71 24.517 7.382 5.702 1.00 0.00 O ATOM 1013 CB VAL B 71 22.301 5.962 4.314 1.00 0.00 C ATOM 1014 CG1 VAL B 71 21.957 6.173 5.790 1.00 0.00 C ATOM 1015 CG2 VAL B 71 20.987 5.895 3.528 1.00 0.00 C ATOM 0 H VAL B 71 23.445 5.836 2.076 1.00 0.00 H new ATOM 0 HA VAL B 71 22.640 8.029 3.856 1.00 0.00 H new ATOM 0 HB VAL B 71 22.877 5.040 4.234 1.00 0.00 H new ATOM 0 HG11 VAL B 71 21.341 5.346 6.142 1.00 0.00 H new ATOM 0 HG12 VAL B 71 22.876 6.216 6.375 1.00 0.00 H new ATOM 0 HG13 VAL B 71 21.409 7.108 5.906 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.361 5.101 3.934 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.464 6.848 3.611 1.00 0.00 H new ATOM 0 HG23 VAL B 71 21.201 5.689 2.479 1.00 0.00 H new ATOM 1025 N SER B 72 25.621 7.302 3.750 1.00 0.00 N ATOM 1026 CA SER B 72 26.927 7.479 4.374 1.00 0.00 C ATOM 1027 C SER B 72 27.818 8.420 3.564 1.00 0.00 C ATOM 1028 O SER B 72 28.748 9.017 4.108 1.00 0.00 O ATOM 1029 CB SER B 72 27.585 6.107 4.537 1.00 0.00 C ATOM 1030 OG SER B 72 28.861 6.245 5.126 1.00 0.00 O ATOM 0 H SER B 72 25.646 7.209 2.735 1.00 0.00 H new ATOM 0 HA SER B 72 26.792 7.941 5.352 1.00 0.00 H new ATOM 0 HB2 SER B 72 26.958 5.466 5.157 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.675 5.621 3.565 1.00 0.00 H new ATOM 0 HG SER B 72 29.272 5.361 5.227 1.00 0.00 H new ATOM 1036 N GLY B 73 27.541 8.561 2.266 1.00 0.00 N ATOM 1037 CA GLY B 73 28.334 9.406 1.389 1.00 0.00 C ATOM 1038 C GLY B 73 27.729 10.796 1.216 1.00 0.00 C ATOM 1039 O GLY B 73 28.337 11.644 0.561 1.00 0.00 O ATOM 0 H GLY B 73 26.763 8.093 1.801 1.00 0.00 H new ATOM 0 HA2 GLY B 73 29.342 9.499 1.793 1.00 0.00 H new ATOM 0 HA3 GLY B 73 28.425 8.928 0.413 1.00 0.00 H new ATOM 1043 N ARG B 74 26.546 11.047 1.789 1.00 0.00 N ATOM 1044 CA ARG B 74 25.859 12.324 1.613 1.00 0.00 C ATOM 1045 C ARG B 74 25.051 12.715 2.851 1.00 0.00 C ATOM 1046 O ARG B 74 24.701 13.883 3.010 1.00 0.00 O ATOM 1047 CB ARG B 74 24.947 12.215 0.384 1.00 0.00 C ATOM 1048 CG ARG B 74 24.271 13.542 0.028 1.00 0.00 C ATOM 1049 CD ARG B 74 25.307 14.631 -0.257 1.00 0.00 C ATOM 1050 NE ARG B 74 26.231 14.223 -1.330 1.00 0.00 N ATOM 1051 CZ ARG B 74 26.553 14.977 -2.384 1.00 0.00 C ATOM 1052 NH1 ARG B 74 26.043 16.199 -2.531 1.00 0.00 N ATOM 1053 NH2 ARG B 74 27.390 14.501 -3.298 1.00 0.00 N ATOM 0 H ARG B 74 26.047 10.380 2.378 1.00 0.00 H new ATOM 0 HA ARG B 74 26.601 13.109 1.466 1.00 0.00 H new ATOM 0 HB2 ARG B 74 25.533 11.871 -0.468 1.00 0.00 H new ATOM 0 HB3 ARG B 74 24.182 11.461 0.570 1.00 0.00 H new ATOM 0 HG2 ARG B 74 23.633 13.406 -0.845 1.00 0.00 H new ATOM 0 HG3 ARG B 74 23.626 13.856 0.848 1.00 0.00 H new ATOM 0 HD2 ARG B 74 24.800 15.553 -0.542 1.00 0.00 H new ATOM 0 HD3 ARG B 74 25.872 14.845 0.650 1.00 0.00 H new ATOM 0 HE ARG B 74 26.655 13.298 -1.263 1.00 0.00 H new ATOM 0 HH11 ARG B 74 25.398 16.570 -1.833 1.00 0.00 H new ATOM 0 HH12 ARG B 74 26.298 16.764 -3.341 1.00 0.00 H new ATOM 0 HH21 ARG B 74 27.782 13.565 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG B 74 27.641 15.071 -4.106 1.00 0.00 H new ATOM 1067 N ASP B 75 24.754 11.753 3.727 1.00 0.00 N ATOM 1068 CA ASP B 75 23.953 12.011 4.914 1.00 0.00 C ATOM 1069 C ASP B 75 24.734 12.896 5.891 1.00 0.00 C ATOM 1070 O ASP B 75 25.956 12.789 5.984 1.00 0.00 O ATOM 1071 CB ASP B 75 23.598 10.679 5.579 1.00 0.00 C ATOM 1072 CG ASP B 75 22.624 10.861 6.744 1.00 0.00 C ATOM 1073 OD1 ASP B 75 21.894 11.878 6.735 1.00 0.00 O ATOM 1074 OD2 ASP B 75 22.625 9.978 7.628 1.00 0.00 O ATOM 0 H ASP B 75 25.060 10.785 3.631 1.00 0.00 H new ATOM 0 HA ASP B 75 23.038 12.530 4.631 1.00 0.00 H new ATOM 0 HB2 ASP B 75 23.157 10.011 4.839 1.00 0.00 H new ATOM 0 HB3 ASP B 75 24.508 10.200 5.939 1.00 0.00 H new ATOM 1079 N GLY B 76 24.026 13.765 6.617 1.00 0.00 N ATOM 1080 CA GLY B 76 24.626 14.581 7.657 1.00 0.00 C ATOM 1081 C GLY B 76 25.699 15.515 7.106 1.00 0.00 C ATOM 1082 O GLY B 76 26.752 15.664 7.723 1.00 0.00 O ATOM 0 H GLY B 76 23.025 13.917 6.495 1.00 0.00 H new ATOM 0 HA2 GLY B 76 23.851 15.170 8.148 1.00 0.00 H new ATOM 0 HA3 GLY B 76 25.064 13.934 8.417 1.00 0.00 H new ATOM 1086 N TYR B 77 25.445 16.147 5.952 1.00 0.00 N ATOM 1087 CA TYR B 77 26.432 17.008 5.334 1.00 0.00 C ATOM 1088 C TYR B 77 26.366 18.444 5.834 1.00 0.00 C ATOM 1089 O TYR B 77 25.296 19.049 5.849 1.00 0.00 O ATOM 1090 CB TYR B 77 26.393 16.903 3.806 1.00 0.00 C ATOM 1091 CG TYR B 77 27.176 17.987 3.097 1.00 0.00 C ATOM 1092 CD1 TYR B 77 26.515 18.897 2.257 1.00 0.00 C ATOM 1093 CD2 TYR B 77 28.567 18.078 3.276 1.00 0.00 C ATOM 1094 CE1 TYR B 77 27.244 19.906 1.603 1.00 0.00 C ATOM 1095 CE2 TYR B 77 29.299 19.083 2.632 1.00 0.00 C ATOM 1096 CZ TYR B 77 28.638 20.002 1.791 1.00 0.00 C ATOM 1097 OH TYR B 77 29.347 20.985 1.163 1.00 0.00 O ATOM 0 H TYR B 77 24.567 16.072 5.439 1.00 0.00 H new ATOM 0 HA TYR B 77 27.409 16.643 5.649 1.00 0.00 H new ATOM 0 HB2 TYR B 77 26.786 15.931 3.508 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.355 16.942 3.475 1.00 0.00 H new ATOM 0 HD1 TYR B 77 25.447 18.822 2.113 1.00 0.00 H new ATOM 0 HD2 TYR B 77 29.074 17.369 3.914 1.00 0.00 H new ATOM 0 HE1 TYR B 77 26.736 20.607 0.957 1.00 0.00 H new ATOM 0 HE2 TYR B 77 30.367 19.154 2.779 1.00 0.00 H new ATOM 0 HH TYR B 77 30.294 20.909 1.402 1.00 0.00 H new ATOM 1107 N ASP B 78 27.513 18.978 6.246 1.00 0.00 N ATOM 1108 CA ASP B 78 27.619 20.320 6.794 1.00 0.00 C ATOM 1109 C ASP B 78 27.381 21.383 5.720 1.00 0.00 C ATOM 1110 O ASP B 78 28.325 21.863 5.086 1.00 0.00 O ATOM 1111 CB ASP B 78 28.988 20.479 7.463 1.00 0.00 C ATOM 1112 CG ASP B 78 29.225 21.901 7.973 1.00 0.00 C ATOM 1113 OD1 ASP B 78 30.414 22.271 8.101 1.00 0.00 O ATOM 1114 OD2 ASP B 78 28.219 22.600 8.231 1.00 0.00 O ATOM 0 H ASP B 78 28.403 18.482 6.207 1.00 0.00 H new ATOM 0 HA ASP B 78 26.842 20.466 7.544 1.00 0.00 H new ATOM 0 HB2 ASP B 78 29.066 19.780 8.295 1.00 0.00 H new ATOM 0 HB3 ASP B 78 29.770 20.216 6.751 1.00 0.00 H new ATOM 1119 N TYR B 79 26.115 21.748 5.515 1.00 0.00 N ATOM 1120 CA TYR B 79 25.730 22.745 4.533 1.00 0.00 C ATOM 1121 C TYR B 79 25.958 24.121 5.153 1.00 0.00 C ATOM 1122 O TYR B 79 26.436 24.242 6.280 1.00 0.00 O ATOM 1123 CB TYR B 79 24.243 22.556 4.232 1.00 0.00 C ATOM 1124 CG TYR B 79 23.780 23.279 2.992 1.00 0.00 C ATOM 1125 CD1 TYR B 79 24.153 22.804 1.729 1.00 0.00 C ATOM 1126 CD2 TYR B 79 22.978 24.424 3.104 1.00 0.00 C ATOM 1127 CE1 TYR B 79 23.718 23.464 0.570 1.00 0.00 C ATOM 1128 CE2 TYR B 79 22.542 25.091 1.952 1.00 0.00 C ATOM 1129 CZ TYR B 79 22.905 24.613 0.677 1.00 0.00 C ATOM 1130 OH TYR B 79 22.475 25.257 -0.441 1.00 0.00 O ATOM 0 H TYR B 79 25.329 21.354 6.032 1.00 0.00 H new ATOM 0 HA TYR B 79 26.309 22.651 3.614 1.00 0.00 H new ATOM 0 HB2 TYR B 79 24.036 21.492 4.120 1.00 0.00 H new ATOM 0 HB3 TYR B 79 23.661 22.906 5.085 1.00 0.00 H new ATOM 0 HD1 TYR B 79 24.778 21.927 1.647 1.00 0.00 H new ATOM 0 HD2 TYR B 79 22.696 24.792 4.080 1.00 0.00 H new ATOM 0 HE1 TYR B 79 24.005 23.093 -0.403 1.00 0.00 H new ATOM 0 HE2 TYR B 79 21.926 25.974 2.041 1.00 0.00 H new ATOM 0 HH TYR B 79 21.925 26.026 -0.184 1.00 0.00 H new ATOM 1140 N ASP B 80 25.608 25.164 4.401 1.00 0.00 N ATOM 1141 CA ASP B 80 25.744 26.538 4.849 1.00 0.00 C ATOM 1142 C ASP B 80 24.744 26.857 5.964 1.00 0.00 C ATOM 1143 O ASP B 80 23.657 27.372 5.699 1.00 0.00 O ATOM 1144 CB ASP B 80 25.603 27.489 3.654 1.00 0.00 C ATOM 1145 CG ASP B 80 25.601 28.960 4.079 1.00 0.00 C ATOM 1146 OD1 ASP B 80 26.047 29.246 5.214 1.00 0.00 O ATOM 1147 OD2 ASP B 80 25.151 29.788 3.254 1.00 0.00 O ATOM 0 H ASP B 80 25.221 25.073 3.462 1.00 0.00 H new ATOM 0 HA ASP B 80 26.737 26.678 5.275 1.00 0.00 H new ATOM 0 HB2 ASP B 80 26.422 27.316 2.956 1.00 0.00 H new ATOM 0 HB3 ASP B 80 24.678 27.266 3.122 1.00 0.00 H new ATOM 1152 N GLY B 81 25.111 26.546 7.209 1.00 0.00 N ATOM 1153 CA GLY B 81 24.265 26.794 8.370 1.00 0.00 C ATOM 1154 C GLY B 81 23.243 25.675 8.588 1.00 0.00 C ATOM 1155 O GLY B 81 22.414 25.770 9.494 1.00 0.00 O ATOM 0 H GLY B 81 26.006 26.114 7.437 1.00 0.00 H new ATOM 0 HA2 GLY B 81 24.889 26.892 9.258 1.00 0.00 H new ATOM 0 HA3 GLY B 81 23.742 27.742 8.241 1.00 0.00 H new ATOM 1159 N TYR B 82 23.296 24.617 7.768 1.00 0.00 N ATOM 1160 CA TYR B 82 22.359 23.502 7.850 1.00 0.00 C ATOM 1161 C TYR B 82 23.028 22.129 7.793 1.00 0.00 C ATOM 1162 O TYR B 82 24.251 22.029 7.699 1.00 0.00 O ATOM 1163 CB TYR B 82 21.261 23.658 6.794 1.00 0.00 C ATOM 1164 CG TYR B 82 20.289 24.776 7.092 1.00 0.00 C ATOM 1165 CD1 TYR B 82 19.079 24.509 7.748 1.00 0.00 C ATOM 1166 CD2 TYR B 82 20.607 26.086 6.708 1.00 0.00 C ATOM 1167 CE1 TYR B 82 18.183 25.555 8.022 1.00 0.00 C ATOM 1168 CE2 TYR B 82 19.716 27.134 6.972 1.00 0.00 C ATOM 1169 CZ TYR B 82 18.501 26.873 7.634 1.00 0.00 C ATOM 1170 OH TYR B 82 17.633 27.891 7.893 1.00 0.00 O ATOM 0 H TYR B 82 23.993 24.515 7.030 1.00 0.00 H new ATOM 0 HA TYR B 82 21.901 23.543 8.838 1.00 0.00 H new ATOM 0 HB2 TYR B 82 21.724 23.840 5.824 1.00 0.00 H new ATOM 0 HB3 TYR B 82 20.710 22.721 6.714 1.00 0.00 H new ATOM 0 HD1 TYR B 82 18.836 23.499 8.043 1.00 0.00 H new ATOM 0 HD2 TYR B 82 21.542 26.288 6.207 1.00 0.00 H new ATOM 0 HE1 TYR B 82 17.252 25.350 8.529 1.00 0.00 H new ATOM 0 HE2 TYR B 82 19.961 28.141 6.668 1.00 0.00 H new ATOM 0 HH TYR B 82 18.008 28.733 7.560 1.00 0.00 H new ATOM 1180 N ARG B 83 22.220 21.065 7.845 1.00 0.00 N ATOM 1181 CA ARG B 83 22.705 19.692 7.872 1.00 0.00 C ATOM 1182 C ARG B 83 21.763 18.806 7.058 1.00 0.00 C ATOM 1183 O ARG B 83 20.587 18.673 7.392 1.00 0.00 O ATOM 1184 CB ARG B 83 22.776 19.249 9.338 1.00 0.00 C ATOM 1185 CG ARG B 83 23.365 17.846 9.503 1.00 0.00 C ATOM 1186 CD ARG B 83 24.845 17.825 9.124 1.00 0.00 C ATOM 1187 NE ARG B 83 25.629 18.763 9.935 1.00 0.00 N ATOM 1188 CZ ARG B 83 26.930 18.614 10.202 1.00 0.00 C ATOM 1189 NH1 ARG B 83 27.615 17.584 9.710 1.00 0.00 N ATOM 1190 NH2 ARG B 83 27.557 19.499 10.970 1.00 0.00 N ATOM 0 H ARG B 83 21.203 21.139 7.870 1.00 0.00 H new ATOM 0 HA ARG B 83 23.697 19.611 7.427 1.00 0.00 H new ATOM 0 HB2 ARG B 83 23.381 19.961 9.900 1.00 0.00 H new ATOM 0 HB3 ARG B 83 21.775 19.271 9.769 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.246 17.517 10.535 1.00 0.00 H new ATOM 0 HG3 ARG B 83 22.816 17.142 8.878 1.00 0.00 H new ATOM 0 HD2 ARG B 83 25.239 16.817 9.252 1.00 0.00 H new ATOM 0 HD3 ARG B 83 24.954 18.078 8.069 1.00 0.00 H new ATOM 0 HE ARG B 83 25.152 19.579 10.319 1.00 0.00 H new ATOM 0 HH11 ARG B 83 27.147 16.895 9.121 1.00 0.00 H new ATOM 0 HH12 ARG B 83 28.608 17.483 9.922 1.00 0.00 H new ATOM 0 HH21 ARG B 83 27.045 20.292 11.356 1.00 0.00 H new ATOM 0 HH22 ARG B 83 28.550 19.385 11.173 1.00 0.00 H new ATOM 1204 N LEU B 84 22.281 18.198 5.986 1.00 0.00 N ATOM 1205 CA LEU B 84 21.483 17.371 5.092 1.00 0.00 C ATOM 1206 C LEU B 84 20.965 16.134 5.822 1.00 0.00 C ATOM 1207 O LEU B 84 21.571 15.679 6.792 1.00 0.00 O ATOM 1208 CB LEU B 84 22.316 16.938 3.881 1.00 0.00 C ATOM 1209 CG LEU B 84 22.377 17.987 2.760 1.00 0.00 C ATOM 1210 CD1 LEU B 84 20.992 18.214 2.152 1.00 0.00 C ATOM 1211 CD2 LEU B 84 22.941 19.314 3.260 1.00 0.00 C ATOM 0 H LEU B 84 23.263 18.268 5.719 1.00 0.00 H new ATOM 0 HA LEU B 84 20.634 17.963 4.751 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.330 16.714 4.211 1.00 0.00 H new ATOM 0 HB3 LEU B 84 21.901 16.014 3.478 1.00 0.00 H new ATOM 0 HG LEU B 84 23.046 17.597 1.993 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.060 18.961 1.361 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.619 17.278 1.737 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.309 18.566 2.925 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.968 20.030 2.439 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.307 19.701 4.058 1.00 0.00 H new ATOM 0 HD23 LEU B 84 23.951 19.160 3.641 1.00 0.00 H new ATOM 1223 N ARG B 85 19.838 15.596 5.339 1.00 0.00 N ATOM 1224 CA ARG B 85 19.262 14.369 5.872 1.00 0.00 C ATOM 1225 C ARG B 85 19.098 13.372 4.742 1.00 0.00 C ATOM 1226 O ARG B 85 18.375 13.634 3.784 1.00 0.00 O ATOM 1227 CB ARG B 85 17.920 14.676 6.550 1.00 0.00 C ATOM 1228 CG ARG B 85 18.086 15.755 7.621 1.00 0.00 C ATOM 1229 CD ARG B 85 16.735 16.042 8.276 1.00 0.00 C ATOM 1230 NE ARG B 85 16.852 17.112 9.271 1.00 0.00 N ATOM 1231 CZ ARG B 85 15.925 17.365 10.200 1.00 0.00 C ATOM 1232 NH1 ARG B 85 14.820 16.632 10.268 1.00 0.00 N ATOM 1233 NH2 ARG B 85 16.107 18.356 11.069 1.00 0.00 N ATOM 0 H ARG B 85 19.306 16.003 4.570 1.00 0.00 H new ATOM 0 HA ARG B 85 19.922 13.937 6.624 1.00 0.00 H new ATOM 0 HB2 ARG B 85 17.198 15.006 5.804 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.519 13.768 7.001 1.00 0.00 H new ATOM 0 HG2 ARG B 85 18.804 15.427 8.373 1.00 0.00 H new ATOM 0 HG3 ARG B 85 18.486 16.666 7.175 1.00 0.00 H new ATOM 0 HD2 ARG B 85 16.010 16.327 7.514 1.00 0.00 H new ATOM 0 HD3 ARG B 85 16.358 15.137 8.752 1.00 0.00 H new ATOM 0 HE ARG B 85 17.688 17.696 9.253 1.00 0.00 H new ATOM 0 HH11 ARG B 85 14.673 15.868 9.608 1.00 0.00 H new ATOM 0 HH12 ARG B 85 14.118 16.832 10.980 1.00 0.00 H new ATOM 0 HH21 ARG B 85 16.954 18.923 11.026 1.00 0.00 H new ATOM 0 HH22 ARG B 85 15.399 18.549 11.778 1.00 0.00 H new ATOM 1247 N VAL B 86 19.772 12.229 4.856 1.00 0.00 N ATOM 1248 CA VAL B 86 19.697 11.163 3.870 1.00 0.00 C ATOM 1249 C VAL B 86 19.724 9.807 4.562 1.00 0.00 C ATOM 1250 O VAL B 86 20.778 9.194 4.699 1.00 0.00 O ATOM 1251 CB VAL B 86 20.825 11.286 2.834 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.589 10.293 1.700 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.894 12.697 2.246 1.00 0.00 C ATOM 0 H VAL B 86 20.388 12.019 5.641 1.00 0.00 H new ATOM 0 HA VAL B 86 18.754 11.254 3.332 1.00 0.00 H new ATOM 0 HB VAL B 86 21.767 11.073 3.340 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.390 10.382 0.966 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.575 9.280 2.101 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.633 10.507 1.222 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.703 12.748 1.517 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.949 12.934 1.757 1.00 0.00 H new ATOM 0 HG23 VAL B 86 21.079 13.415 3.045 1.00 0.00 H new ATOM 1263 N GLU B 87 18.555 9.340 4.999 1.00 0.00 N ATOM 1264 CA GLU B 87 18.436 8.061 5.678 1.00 0.00 C ATOM 1265 C GLU B 87 17.133 7.376 5.284 1.00 0.00 C ATOM 1266 O GLU B 87 16.217 8.028 4.792 1.00 0.00 O ATOM 1267 CB GLU B 87 18.509 8.271 7.194 1.00 0.00 C ATOM 1268 CG GLU B 87 17.312 9.088 7.690 1.00 0.00 C ATOM 1269 CD GLU B 87 17.343 9.289 9.205 1.00 0.00 C ATOM 1270 OE1 GLU B 87 16.432 9.986 9.705 1.00 0.00 O ATOM 1271 OE2 GLU B 87 18.271 8.749 9.851 1.00 0.00 O ATOM 0 H GLU B 87 17.672 9.838 4.891 1.00 0.00 H new ATOM 0 HA GLU B 87 19.261 7.415 5.378 1.00 0.00 H new ATOM 0 HB2 GLU B 87 18.529 7.305 7.699 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.436 8.784 7.450 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.306 10.059 7.196 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.388 8.583 7.410 1.00 0.00 H new ATOM 1278 N PHE B 88 17.038 6.062 5.496 1.00 0.00 N ATOM 1279 CA PHE B 88 15.825 5.320 5.179 1.00 0.00 C ATOM 1280 C PHE B 88 14.699 5.483 6.199 1.00 0.00 C ATOM 1281 O PHE B 88 14.961 5.732 7.375 1.00 0.00 O ATOM 1282 CB PHE B 88 16.139 3.851 4.892 1.00 0.00 C ATOM 1283 CG PHE B 88 17.233 3.281 5.766 1.00 0.00 C ATOM 1284 CD1 PHE B 88 18.551 3.242 5.293 1.00 0.00 C ATOM 1285 CD2 PHE B 88 16.934 2.799 7.047 1.00 0.00 C ATOM 1286 CE1 PHE B 88 19.570 2.719 6.098 1.00 0.00 C ATOM 1287 CE2 PHE B 88 17.955 2.276 7.851 1.00 0.00 C ATOM 1288 CZ PHE B 88 19.275 2.235 7.378 1.00 0.00 C ATOM 0 H PHE B 88 17.789 5.493 5.886 1.00 0.00 H new ATOM 0 HA PHE B 88 15.432 5.770 4.268 1.00 0.00 H new ATOM 0 HB2 PHE B 88 15.233 3.261 5.029 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.431 3.749 3.847 1.00 0.00 H new ATOM 0 HD1 PHE B 88 18.781 3.616 4.306 1.00 0.00 H new ATOM 0 HD2 PHE B 88 15.919 2.831 7.414 1.00 0.00 H new ATOM 0 HE1 PHE B 88 20.585 2.689 5.731 1.00 0.00 H new ATOM 0 HE2 PHE B 88 17.725 1.903 8.838 1.00 0.00 H new ATOM 0 HZ PHE B 88 20.061 1.831 7.999 1.00 0.00 H new ATOM 1298 N PRO B 89 13.441 5.344 5.756 1.00 0.00 N ATOM 1299 CA PRO B 89 12.274 5.423 6.617 1.00 0.00 C ATOM 1300 C PRO B 89 12.232 4.236 7.578 1.00 0.00 C ATOM 1301 O PRO B 89 12.502 3.106 7.115 1.00 0.00 O ATOM 1302 CB PRO B 89 11.069 5.420 5.674 1.00 0.00 C ATOM 1303 CG PRO B 89 11.584 4.731 4.408 1.00 0.00 C ATOM 1304 CD PRO B 89 13.067 5.098 4.377 1.00 0.00 C ATOM 0 HA PRO B 89 12.286 6.318 7.240 1.00 0.00 H new ATOM 0 HB2 PRO B 89 10.226 4.880 6.106 1.00 0.00 H new ATOM 0 HB3 PRO B 89 10.725 6.433 5.464 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.439 3.652 4.452 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.064 5.087 3.518 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.661 4.291 3.949 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.239 5.981 3.762 1.00 0.00 H new