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= -0.0434 USER MOD Single : B 19 TYR OH : rot 180:sc= -0.0128 USER MOD Single : B 22 ASN : amide:sc= -0.844 X(o=-0.84,f=-0.83) USER MOD Single : B 30 LYS NZ :NH3+ -117:sc= 0.177 (180deg=0) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ -135:sc= 0.903 (180deg=-0.319) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -102:sc= 0.482 (180deg=-0.141) USER MOD Single : B 49 ASN : amide:sc= -0.36 K(o=-0.36,f=-3.5!) 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 14.035 -0.878 0.328 1.00 0.00 N ATOM 139 CA CYS B 16 14.894 0.023 -0.435 1.00 0.00 C ATOM 140 C CYS B 16 14.488 1.497 -0.318 1.00 0.00 C ATOM 141 O CYS B 16 15.040 2.343 -1.022 1.00 0.00 O ATOM 142 CB CYS B 16 14.948 -0.426 -1.897 1.00 0.00 C ATOM 143 SG CYS B 16 15.738 -2.051 -1.990 1.00 0.00 S ATOM 0 HA CYS B 16 15.892 -0.039 -0.000 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.942 -0.473 -2.313 1.00 0.00 H new ATOM 0 HB3 CYS B 16 15.505 0.297 -2.492 1.00 0.00 H new ATOM 0 HG CYS B 16 15.785 -2.440 -3.229 1.00 0.00 H new ATOM 149 N ARG B 17 13.528 1.818 0.561 1.00 0.00 N ATOM 150 CA ARG B 17 13.092 3.188 0.769 1.00 0.00 C ATOM 151 C ARG B 17 13.943 3.887 1.824 1.00 0.00 C ATOM 152 O ARG B 17 14.271 3.299 2.854 1.00 0.00 O ATOM 153 CB ARG B 17 11.610 3.222 1.153 1.00 0.00 C ATOM 154 CG ARG B 17 10.743 3.146 -0.104 1.00 0.00 C ATOM 155 CD ARG B 17 9.261 3.059 0.261 1.00 0.00 C ATOM 156 NE ARG B 17 8.936 1.779 0.899 1.00 0.00 N ATOM 157 CZ ARG B 17 8.793 0.632 0.227 1.00 0.00 C ATOM 158 NH1 ARG B 17 8.957 0.590 -1.092 1.00 0.00 N ATOM 159 NH2 ARG B 17 8.487 -0.483 0.881 1.00 0.00 N ATOM 0 H ARG B 17 13.041 1.134 1.140 1.00 0.00 H new ATOM 0 HA ARG B 17 13.221 3.730 -0.168 1.00 0.00 H new ATOM 0 HB2 ARG B 17 11.378 2.388 1.816 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.389 4.137 1.703 1.00 0.00 H new ATOM 0 HG2 ARG B 17 10.918 4.025 -0.725 1.00 0.00 H new ATOM 0 HG3 ARG B 17 11.028 2.276 -0.695 1.00 0.00 H new ATOM 0 HD2 ARG B 17 9.003 3.877 0.933 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.657 3.182 -0.638 1.00 0.00 H new ATOM 0 HE ARG B 17 8.812 1.763 1.911 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.195 1.440 -1.604 1.00 0.00 H new ATOM 0 HH12 ARG B 17 8.845 -0.292 -1.592 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.362 -0.463 1.893 1.00 0.00 H new ATOM 0 HH22 ARG B 17 8.377 -1.360 0.371 1.00 0.00 H new ATOM 173 N ILE B 18 14.292 5.148 1.558 1.00 0.00 N ATOM 174 CA ILE B 18 15.034 5.986 2.496 1.00 0.00 C ATOM 175 C ILE B 18 14.454 7.398 2.509 1.00 0.00 C ATOM 176 O ILE B 18 13.638 7.750 1.657 1.00 0.00 O ATOM 177 CB ILE B 18 16.533 5.990 2.154 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.826 6.588 0.771 1.00 0.00 C ATOM 179 CG2 ILE B 18 17.067 4.557 2.187 1.00 0.00 C ATOM 180 CD1 ILE B 18 17.097 8.090 0.859 1.00 0.00 C ATOM 0 H ILE B 18 14.065 5.616 0.681 1.00 0.00 H new ATOM 0 HA ILE B 18 14.932 5.572 3.499 1.00 0.00 H new ATOM 0 HB ILE B 18 17.026 6.614 2.899 1.00 0.00 H new ATOM 0 HG12 ILE B 18 17.688 6.086 0.331 1.00 0.00 H new ATOM 0 HG13 ILE B 18 15.980 6.408 0.108 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.130 4.559 1.945 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.923 4.138 3.183 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.530 3.952 1.457 1.00 0.00 H new ATOM 0 HD11 ILE B 18 17.301 8.482 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE B 18 16.224 8.593 1.275 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.959 8.267 1.502 1.00 0.00 H new ATOM 192 N TYR B 19 14.884 8.203 3.483 1.00 0.00 N ATOM 193 CA TYR B 19 14.393 9.562 3.681 1.00 0.00 C ATOM 194 C TYR B 19 15.437 10.648 3.427 1.00 0.00 C ATOM 195 O TYR B 19 16.633 10.405 3.570 1.00 0.00 O ATOM 196 CB TYR B 19 13.680 9.681 5.033 1.00 0.00 C ATOM 197 CG TYR B 19 13.741 11.047 5.684 1.00 0.00 C ATOM 198 CD1 TYR B 19 14.883 11.417 6.408 1.00 0.00 C ATOM 199 CD2 TYR B 19 12.658 11.935 5.588 1.00 0.00 C ATOM 200 CE1 TYR B 19 14.939 12.659 7.059 1.00 0.00 C ATOM 201 CE2 TYR B 19 12.707 13.174 6.243 1.00 0.00 C ATOM 202 CZ TYR B 19 13.846 13.541 6.981 1.00 0.00 C ATOM 203 OH TYR B 19 13.886 14.742 7.624 1.00 0.00 O ATOM 0 H TYR B 19 15.591 7.923 4.163 1.00 0.00 H new ATOM 0 HA TYR B 19 13.651 9.754 2.906 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.633 9.409 4.897 1.00 0.00 H new ATOM 0 HB3 TYR B 19 14.113 8.952 5.718 1.00 0.00 H new ATOM 0 HD1 TYR B 19 15.724 10.742 6.465 1.00 0.00 H new ATOM 0 HD2 TYR B 19 11.787 11.664 5.010 1.00 0.00 H new ATOM 0 HE1 TYR B 19 15.820 12.937 7.619 1.00 0.00 H new ATOM 0 HE2 TYR B 19 11.866 13.849 6.180 1.00 0.00 H new ATOM 0 HH TYR B 19 13.049 15.227 7.464 1.00 0.00 H new ATOM 213 N VAL B 20 14.980 11.844 3.051 1.00 0.00 N ATOM 214 CA VAL B 20 15.854 12.967 2.750 1.00 0.00 C ATOM 215 C VAL B 20 15.319 14.218 3.435 1.00 0.00 C ATOM 216 O VAL B 20 14.231 14.692 3.106 1.00 0.00 O ATOM 217 CB VAL B 20 15.928 13.171 1.232 1.00 0.00 C ATOM 218 CG1 VAL B 20 16.757 14.416 0.909 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.557 11.954 0.551 1.00 0.00 C ATOM 0 H VAL B 20 13.988 12.056 2.948 1.00 0.00 H new ATOM 0 HA VAL B 20 16.859 12.764 3.121 1.00 0.00 H new ATOM 0 HB VAL B 20 14.913 13.300 0.857 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.803 14.552 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.293 15.290 1.365 1.00 0.00 H new ATOM 0 HG13 VAL B 20 17.766 14.294 1.303 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.599 12.121 -0.525 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.566 11.803 0.935 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.954 11.070 0.758 1.00 0.00 H new ATOM 229 N GLY B 21 16.091 14.748 4.386 1.00 0.00 N ATOM 230 CA GLY B 21 15.742 15.972 5.096 1.00 0.00 C ATOM 231 C GLY B 21 16.774 17.063 4.841 1.00 0.00 C ATOM 232 O GLY B 21 17.833 16.801 4.269 1.00 0.00 O ATOM 0 H GLY B 21 16.976 14.337 4.683 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.758 16.315 4.776 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.677 15.771 6.165 1.00 0.00 H new ATOM 236 N ASN B 22 16.457 18.289 5.267 1.00 0.00 N ATOM 237 CA ASN B 22 17.286 19.469 5.031 1.00 0.00 C ATOM 238 C ASN B 22 17.511 19.695 3.531 1.00 0.00 C ATOM 239 O ASN B 22 18.488 20.329 3.134 1.00 0.00 O ATOM 240 CB ASN B 22 18.604 19.347 5.804 1.00 0.00 C ATOM 241 CG ASN B 22 19.379 20.660 5.790 1.00 0.00 C ATOM 242 OD1 ASN B 22 18.814 21.719 6.046 1.00 0.00 O ATOM 243 ND2 ASN B 22 20.676 20.593 5.492 1.00 0.00 N ATOM 0 H ASN B 22 15.606 18.490 5.792 1.00 0.00 H new ATOM 0 HA ASN B 22 16.763 20.350 5.403 1.00 0.00 H new ATOM 0 HB2 ASN B 22 18.398 19.055 6.834 1.00 0.00 H new ATOM 0 HB3 ASN B 22 19.214 18.558 5.365 1.00 0.00 H new ATOM 0 HD21 ASN B 22 21.239 21.443 5.470 1.00 0.00 H new ATOM 0 HD22 ASN B 22 21.106 19.691 5.285 1.00 0.00 H new ATOM 250 N LEU B 23 16.609 19.177 2.693 1.00 0.00 N ATOM 251 CA LEU B 23 16.695 19.339 1.252 1.00 0.00 C ATOM 252 C LEU B 23 16.520 20.823 0.902 1.00 0.00 C ATOM 253 O LEU B 23 15.542 21.438 1.326 1.00 0.00 O ATOM 254 CB LEU B 23 15.608 18.472 0.608 1.00 0.00 C ATOM 255 CG LEU B 23 15.705 18.447 -0.917 1.00 0.00 C ATOM 256 CD1 LEU B 23 16.876 17.574 -1.369 1.00 0.00 C ATOM 257 CD2 LEU B 23 14.416 17.847 -1.473 1.00 0.00 C ATOM 0 H LEU B 23 15.802 18.635 3.001 1.00 0.00 H new ATOM 0 HA LEU B 23 17.666 19.020 0.874 1.00 0.00 H new ATOM 0 HB2 LEU B 23 15.686 17.454 0.990 1.00 0.00 H new ATOM 0 HB3 LEU B 23 14.628 18.848 0.900 1.00 0.00 H new ATOM 0 HG LEU B 23 15.857 19.464 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU B 23 16.927 17.570 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU B 23 17.805 17.974 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU B 23 16.731 16.556 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU B 23 14.467 17.821 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU B 23 14.292 16.834 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU B 23 13.568 18.457 -1.164 1.00 0.00 H new ATOM 366 N LYS B 30 13.945 16.604 -11.398 1.00 0.00 N ATOM 367 CA LYS B 30 14.791 15.760 -12.232 1.00 0.00 C ATOM 368 C LYS B 30 16.154 15.549 -11.579 1.00 0.00 C ATOM 369 O LYS B 30 16.773 14.508 -11.771 1.00 0.00 O ATOM 370 CB LYS B 30 14.933 16.404 -13.614 1.00 0.00 C ATOM 371 CG LYS B 30 15.653 15.462 -14.590 1.00 0.00 C ATOM 372 CD LYS B 30 16.905 16.118 -15.181 1.00 0.00 C ATOM 373 CE LYS B 30 17.925 16.409 -14.080 1.00 0.00 C ATOM 374 NZ LYS B 30 19.170 16.980 -14.627 1.00 0.00 N ATOM 0 HA LYS B 30 14.329 14.779 -12.343 1.00 0.00 H new ATOM 0 HB2 LYS B 30 13.947 16.654 -14.005 1.00 0.00 H new ATOM 0 HB3 LYS B 30 15.488 17.338 -13.528 1.00 0.00 H new ATOM 0 HG2 LYS B 30 15.931 14.544 -14.073 1.00 0.00 H new ATOM 0 HG3 LYS B 30 14.974 15.181 -15.395 1.00 0.00 H new ATOM 0 HD2 LYS B 30 17.347 15.462 -15.931 1.00 0.00 H new ATOM 0 HD3 LYS B 30 16.633 17.044 -15.688 1.00 0.00 H new ATOM 0 HE2 LYS B 30 17.493 17.102 -13.358 1.00 0.00 H new ATOM 0 HE3 LYS B 30 18.152 15.489 -13.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 19.962 16.333 -14.437 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 19.070 17.112 -15.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 19.358 17.898 -14.177 1.00 0.00 H new ATOM 388 N ASP B 31 16.631 16.527 -10.807 1.00 0.00 N ATOM 389 CA ASP B 31 17.929 16.416 -10.158 1.00 0.00 C ATOM 390 C ASP B 31 17.916 15.364 -9.054 1.00 0.00 C ATOM 391 O ASP B 31 18.933 14.714 -8.804 1.00 0.00 O ATOM 392 CB ASP B 31 18.345 17.776 -9.594 1.00 0.00 C ATOM 393 CG ASP B 31 18.598 18.817 -10.684 1.00 0.00 C ATOM 394 OD1 ASP B 31 18.603 18.430 -11.872 1.00 0.00 O ATOM 395 OD2 ASP B 31 18.782 19.995 -10.309 1.00 0.00 O ATOM 0 H ASP B 31 16.137 17.399 -10.619 1.00 0.00 H new ATOM 0 HA ASP B 31 18.656 16.098 -10.906 1.00 0.00 H new ATOM 0 HB2 ASP B 31 17.566 18.140 -8.924 1.00 0.00 H new ATOM 0 HB3 ASP B 31 19.249 17.655 -8.996 1.00 0.00 H new ATOM 400 N ILE B 32 16.762 15.197 -8.400 1.00 0.00 N ATOM 401 CA ILE B 32 16.617 14.250 -7.301 1.00 0.00 C ATOM 402 C ILE B 32 16.515 12.814 -7.824 1.00 0.00 C ATOM 403 O ILE B 32 16.592 11.868 -7.040 1.00 0.00 O ATOM 404 CB ILE B 32 15.398 14.646 -6.456 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.352 13.807 -5.174 1.00 0.00 C ATOM 406 CG2 ILE B 32 14.101 14.452 -7.248 1.00 0.00 C ATOM 407 CD1 ILE B 32 14.369 14.408 -4.164 1.00 0.00 C ATOM 0 H ILE B 32 15.910 15.713 -8.619 1.00 0.00 H new ATOM 0 HA ILE B 32 17.503 14.285 -6.667 1.00 0.00 H new ATOM 0 HB ILE B 32 15.491 15.700 -6.195 1.00 0.00 H new ATOM 0 HG12 ILE B 32 15.055 12.786 -5.413 1.00 0.00 H new ATOM 0 HG13 ILE B 32 16.347 13.755 -4.733 1.00 0.00 H new ATOM 0 HG21 ILE B 32 13.251 14.739 -6.629 1.00 0.00 H new ATOM 0 HG22 ILE B 32 14.125 15.074 -8.143 1.00 0.00 H new ATOM 0 HG23 ILE B 32 14.004 13.405 -7.536 1.00 0.00 H new ATOM 0 HD11 ILE B 32 14.354 13.795 -3.263 1.00 0.00 H new ATOM 0 HD12 ILE B 32 14.682 15.420 -3.909 1.00 0.00 H new ATOM 0 HD13 ILE B 32 13.371 14.436 -4.601 1.00 0.00 H new ATOM 419 N GLU B 33 16.338 12.639 -9.139 1.00 0.00 N ATOM 420 CA GLU B 33 16.284 11.306 -9.736 1.00 0.00 C ATOM 421 C GLU B 33 17.412 11.120 -10.754 1.00 0.00 C ATOM 422 O GLU B 33 17.531 10.055 -11.352 1.00 0.00 O ATOM 423 CB GLU B 33 14.912 11.069 -10.364 1.00 0.00 C ATOM 424 CG GLU B 33 14.671 12.020 -11.542 1.00 0.00 C ATOM 425 CD GLU B 33 13.313 11.774 -12.196 1.00 0.00 C ATOM 426 OE1 GLU B 33 12.596 10.853 -11.736 1.00 0.00 O ATOM 427 OE2 GLU B 33 13.003 12.510 -13.158 1.00 0.00 O ATOM 0 H GLU B 33 16.230 13.404 -9.806 1.00 0.00 H new ATOM 0 HA GLU B 33 16.430 10.561 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU B 33 14.839 10.037 -10.706 1.00 0.00 H new ATOM 0 HB3 GLU B 33 14.135 11.212 -9.613 1.00 0.00 H new ATOM 0 HG2 GLU B 33 14.726 13.052 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU B 33 15.461 11.890 -12.282 1.00 0.00 H new ATOM 434 N ASP B 34 18.240 12.150 -10.956 1.00 0.00 N ATOM 435 CA ASP B 34 19.375 12.075 -11.860 1.00 0.00 C ATOM 436 C ASP B 34 20.661 11.702 -11.122 1.00 0.00 C ATOM 437 O ASP B 34 21.252 10.656 -11.391 1.00 0.00 O ATOM 438 CB ASP B 34 19.508 13.389 -12.640 1.00 0.00 C ATOM 439 CG ASP B 34 20.819 13.506 -13.416 1.00 0.00 C ATOM 440 OD1 ASP B 34 21.168 14.658 -13.757 1.00 0.00 O ATOM 441 OD2 ASP B 34 21.455 12.459 -13.658 1.00 0.00 O ATOM 0 H ASP B 34 18.136 13.054 -10.495 1.00 0.00 H new ATOM 0 HA ASP B 34 19.198 11.275 -12.579 1.00 0.00 H new ATOM 0 HB2 ASP B 34 18.674 13.475 -13.336 1.00 0.00 H new ATOM 0 HB3 ASP B 34 19.431 14.225 -11.945 1.00 0.00 H new ATOM 446 N VAL B 35 21.091 12.557 -10.186 1.00 0.00 N ATOM 447 CA VAL B 35 22.321 12.315 -9.446 1.00 0.00 C ATOM 448 C VAL B 35 22.157 11.069 -8.586 1.00 0.00 C ATOM 449 O VAL B 35 23.067 10.250 -8.486 1.00 0.00 O ATOM 450 CB VAL B 35 22.658 13.536 -8.584 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.948 13.298 -7.799 1.00 0.00 C ATOM 452 CG2 VAL B 35 22.827 14.774 -9.466 1.00 0.00 C ATOM 0 H VAL B 35 20.604 13.416 -9.929 1.00 0.00 H new ATOM 0 HA VAL B 35 23.144 12.152 -10.142 1.00 0.00 H new ATOM 0 HB VAL B 35 21.837 13.696 -7.885 1.00 0.00 H new ATOM 0 HG11 VAL B 35 24.172 14.175 -7.192 1.00 0.00 H new ATOM 0 HG12 VAL B 35 23.825 12.431 -7.151 1.00 0.00 H new ATOM 0 HG13 VAL B 35 24.769 13.118 -8.494 1.00 0.00 H new ATOM 0 HG21 VAL B 35 23.066 15.635 -8.842 1.00 0.00 H new ATOM 0 HG22 VAL B 35 23.635 14.606 -10.178 1.00 0.00 H new ATOM 0 HG23 VAL B 35 21.900 14.964 -10.007 1.00 0.00 H new ATOM 462 N PHE B 36 20.987 10.922 -7.965 1.00 0.00 N ATOM 463 CA PHE B 36 20.706 9.744 -7.168 1.00 0.00 C ATOM 464 C PHE B 36 20.706 8.460 -7.982 1.00 0.00 C ATOM 465 O PHE B 36 21.053 7.398 -7.468 1.00 0.00 O ATOM 466 CB PHE B 36 19.411 9.932 -6.370 1.00 0.00 C ATOM 467 CG PHE B 36 19.561 10.853 -5.180 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.893 10.324 -3.921 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.377 12.236 -5.326 1.00 0.00 C ATOM 470 CE1 PHE B 36 20.032 11.173 -2.815 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.518 13.086 -4.218 1.00 0.00 C ATOM 472 CZ PHE B 36 19.847 12.554 -2.964 1.00 0.00 C ATOM 0 H PHE B 36 20.228 11.602 -8.002 1.00 0.00 H new ATOM 0 HA PHE B 36 21.525 9.630 -6.458 1.00 0.00 H new ATOM 0 HB2 PHE B 36 18.641 10.329 -7.031 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.063 8.959 -6.024 1.00 0.00 H new ATOM 0 HD1 PHE B 36 20.041 9.260 -3.806 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.126 12.647 -6.293 1.00 0.00 H new ATOM 0 HE1 PHE B 36 20.282 10.763 -1.848 1.00 0.00 H new ATOM 0 HE2 PHE B 36 19.373 14.150 -4.332 1.00 0.00 H new ATOM 0 HZ PHE B 36 19.958 13.209 -2.112 1.00 0.00 H new ATOM 482 N SER B 37 20.321 8.550 -9.259 1.00 0.00 N ATOM 483 CA SER B 37 20.324 7.394 -10.140 1.00 0.00 C ATOM 484 C SER B 37 21.757 6.945 -10.417 1.00 0.00 C ATOM 485 O SER B 37 22.005 5.758 -10.617 1.00 0.00 O ATOM 486 CB SER B 37 19.592 7.726 -11.438 1.00 0.00 C ATOM 487 OG SER B 37 19.660 6.628 -12.320 1.00 0.00 O ATOM 0 H SER B 37 20.005 9.414 -9.699 1.00 0.00 H new ATOM 0 HA SER B 37 19.801 6.571 -9.653 1.00 0.00 H new ATOM 0 HB2 SER B 37 18.551 7.970 -11.227 1.00 0.00 H new ATOM 0 HB3 SER B 37 20.038 8.605 -11.903 1.00 0.00 H new ATOM 0 HG SER B 37 19.188 6.846 -13.151 1.00 0.00 H new ATOM 493 N LYS B 38 22.710 7.884 -10.422 1.00 0.00 N ATOM 494 CA LYS B 38 24.118 7.522 -10.538 1.00 0.00 C ATOM 495 C LYS B 38 24.577 6.821 -9.262 1.00 0.00 C ATOM 496 O LYS B 38 25.489 5.999 -9.305 1.00 0.00 O ATOM 497 CB LYS B 38 24.972 8.771 -10.794 1.00 0.00 C ATOM 498 CG LYS B 38 24.471 9.567 -12.001 1.00 0.00 C ATOM 499 CD LYS B 38 24.438 8.702 -13.263 1.00 0.00 C ATOM 500 CE LYS B 38 23.961 9.530 -14.459 1.00 0.00 C ATOM 501 NZ LYS B 38 22.568 9.984 -14.281 1.00 0.00 N ATOM 0 H LYS B 38 22.531 8.885 -10.348 1.00 0.00 H new ATOM 0 HA LYS B 38 24.240 6.843 -11.382 1.00 0.00 H new ATOM 0 HB2 LYS B 38 24.959 9.407 -9.909 1.00 0.00 H new ATOM 0 HB3 LYS B 38 26.008 8.475 -10.959 1.00 0.00 H new ATOM 0 HG2 LYS B 38 23.472 9.953 -11.796 1.00 0.00 H new ATOM 0 HG3 LYS B 38 25.118 10.429 -12.165 1.00 0.00 H new ATOM 0 HD2 LYS B 38 25.431 8.300 -13.463 1.00 0.00 H new ATOM 0 HD3 LYS B 38 23.774 7.851 -13.112 1.00 0.00 H new ATOM 0 HE2 LYS B 38 24.613 10.394 -14.588 1.00 0.00 H new ATOM 0 HE3 LYS B 38 24.037 8.935 -15.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 22.038 9.832 -15.163 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 22.122 9.444 -13.512 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 22.561 10.996 -14.042 1.00 0.00 H new ATOM 515 N TYR B 39 23.944 7.143 -8.129 1.00 0.00 N ATOM 516 CA TYR B 39 24.237 6.480 -6.861 1.00 0.00 C ATOM 517 C TYR B 39 23.590 5.111 -6.636 1.00 0.00 C ATOM 518 O TYR B 39 24.060 4.361 -5.782 1.00 0.00 O ATOM 519 CB TYR B 39 23.974 7.411 -5.677 1.00 0.00 C ATOM 520 CG TYR B 39 25.111 8.354 -5.361 1.00 0.00 C ATOM 521 CD1 TYR B 39 25.394 9.437 -6.206 1.00 0.00 C ATOM 522 CD2 TYR B 39 25.889 8.139 -4.209 1.00 0.00 C ATOM 523 CE1 TYR B 39 26.445 10.313 -5.901 1.00 0.00 C ATOM 524 CE2 TYR B 39 26.939 9.016 -3.897 1.00 0.00 C ATOM 525 CZ TYR B 39 27.223 10.105 -4.746 1.00 0.00 C ATOM 526 OH TYR B 39 28.245 10.957 -4.448 1.00 0.00 O ATOM 0 H TYR B 39 23.223 7.862 -8.068 1.00 0.00 H new ATOM 0 HA TYR B 39 25.301 6.254 -6.932 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.078 7.997 -5.883 1.00 0.00 H new ATOM 0 HB3 TYR B 39 23.763 6.807 -4.795 1.00 0.00 H new ATOM 0 HD1 TYR B 39 24.801 9.596 -7.094 1.00 0.00 H new ATOM 0 HD2 TYR B 39 25.678 7.299 -3.564 1.00 0.00 H new ATOM 0 HE1 TYR B 39 26.658 11.148 -6.552 1.00 0.00 H new ATOM 0 HE2 TYR B 39 27.529 8.857 -3.007 1.00 0.00 H new ATOM 0 HH TYR B 39 28.678 10.670 -3.617 1.00 0.00 H new ATOM 536 N GLY B 40 22.525 4.762 -7.375 1.00 0.00 N ATOM 537 CA GLY B 40 21.866 3.480 -7.131 1.00 0.00 C ATOM 538 C GLY B 40 20.616 3.234 -7.978 1.00 0.00 C ATOM 539 O GLY B 40 19.793 2.401 -7.605 1.00 0.00 O ATOM 0 H GLY B 40 22.117 5.329 -8.119 1.00 0.00 H new ATOM 0 HA2 GLY B 40 22.580 2.678 -7.319 1.00 0.00 H new ATOM 0 HA3 GLY B 40 21.592 3.422 -6.078 1.00 0.00 H new ATOM 543 N ALA B 41 20.462 3.943 -9.100 1.00 0.00 N ATOM 544 CA ALA B 41 19.350 3.740 -10.024 1.00 0.00 C ATOM 545 C ALA B 41 17.996 3.756 -9.305 1.00 0.00 C ATOM 546 O ALA B 41 17.313 2.732 -9.239 1.00 0.00 O ATOM 547 CB ALA B 41 19.565 2.446 -10.803 1.00 0.00 C ATOM 0 H ALA B 41 21.109 4.676 -9.391 1.00 0.00 H new ATOM 0 HA ALA B 41 19.327 4.572 -10.728 1.00 0.00 H new ATOM 0 HB1 ALA B 41 18.735 2.294 -11.493 1.00 0.00 H new ATOM 0 HB2 ALA B 41 20.497 2.510 -11.365 1.00 0.00 H new ATOM 0 HB3 ALA B 41 19.617 1.608 -10.108 1.00 0.00 H new ATOM 553 N ILE B 42 17.613 4.917 -8.765 1.00 0.00 N ATOM 554 CA ILE B 42 16.333 5.093 -8.087 1.00 0.00 C ATOM 555 C ILE B 42 15.179 4.704 -9.014 1.00 0.00 C ATOM 556 O ILE B 42 15.223 4.973 -10.214 1.00 0.00 O ATOM 557 CB ILE B 42 16.199 6.552 -7.623 1.00 0.00 C ATOM 558 CG1 ILE B 42 16.926 6.769 -6.295 1.00 0.00 C ATOM 559 CG2 ILE B 42 14.734 6.941 -7.419 1.00 0.00 C ATOM 560 CD1 ILE B 42 18.393 6.379 -6.397 1.00 0.00 C ATOM 0 H ILE B 42 18.186 5.761 -8.788 1.00 0.00 H new ATOM 0 HA ILE B 42 16.292 4.441 -7.215 1.00 0.00 H new ATOM 0 HB ILE B 42 16.641 7.170 -8.405 1.00 0.00 H new ATOM 0 HG12 ILE B 42 16.845 7.815 -6.001 1.00 0.00 H new ATOM 0 HG13 ILE B 42 16.445 6.180 -5.514 1.00 0.00 H new ATOM 0 HG21 ILE B 42 14.675 7.979 -7.091 1.00 0.00 H new ATOM 0 HG22 ILE B 42 14.193 6.826 -8.358 1.00 0.00 H new ATOM 0 HG23 ILE B 42 14.288 6.296 -6.662 1.00 0.00 H new ATOM 0 HD11 ILE B 42 18.881 6.545 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE B 42 18.472 5.326 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE B 42 18.879 6.986 -7.161 1.00 0.00 H new ATOM 572 N ARG B 43 14.148 4.069 -8.447 1.00 0.00 N ATOM 573 CA ARG B 43 12.977 3.641 -9.203 1.00 0.00 C ATOM 574 C ARG B 43 11.765 4.518 -8.891 1.00 0.00 C ATOM 575 O ARG B 43 10.863 4.618 -9.718 1.00 0.00 O ATOM 576 CB ARG B 43 12.673 2.174 -8.882 1.00 0.00 C ATOM 577 CG ARG B 43 13.886 1.275 -9.151 1.00 0.00 C ATOM 578 CD ARG B 43 14.365 1.393 -10.602 1.00 0.00 C ATOM 579 NE ARG B 43 13.323 0.968 -11.547 1.00 0.00 N ATOM 580 CZ ARG B 43 13.485 0.007 -12.465 1.00 0.00 C ATOM 581 NH1 ARG B 43 14.644 -0.639 -12.585 1.00 0.00 N ATOM 582 NH2 ARG B 43 12.474 -0.311 -13.269 1.00 0.00 N ATOM 0 H ARG B 43 14.106 3.840 -7.454 1.00 0.00 H new ATOM 0 HA ARG B 43 13.192 3.744 -10.267 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.377 2.083 -7.837 1.00 0.00 H new ATOM 0 HB3 ARG B 43 11.829 1.837 -9.483 1.00 0.00 H new ATOM 0 HG2 ARG B 43 14.698 1.547 -8.476 1.00 0.00 H new ATOM 0 HG3 ARG B 43 13.626 0.238 -8.936 1.00 0.00 H new ATOM 0 HD2 ARG B 43 14.648 2.425 -10.810 1.00 0.00 H new ATOM 0 HD3 ARG B 43 15.257 0.783 -10.743 1.00 0.00 H new ATOM 0 HE ARG B 43 12.418 1.435 -11.501 1.00 0.00 H new ATOM 0 HH11 ARG B 43 15.425 -0.404 -11.972 1.00 0.00 H new ATOM 0 HH12 ARG B 43 14.751 -1.369 -13.290 1.00 0.00 H new ATOM 0 HH21 ARG B 43 11.582 0.176 -13.184 1.00 0.00 H new ATOM 0 HH22 ARG B 43 12.591 -1.042 -13.971 1.00 0.00 H new ATOM 596 N ASP B 44 11.738 5.150 -7.712 1.00 0.00 N ATOM 597 CA ASP B 44 10.634 6.017 -7.310 1.00 0.00 C ATOM 598 C ASP B 44 11.049 7.205 -6.438 1.00 0.00 C ATOM 599 O ASP B 44 12.075 7.156 -5.757 1.00 0.00 O ATOM 600 CB ASP B 44 9.508 5.208 -6.657 1.00 0.00 C ATOM 601 CG ASP B 44 8.589 4.550 -7.683 1.00 0.00 C ATOM 602 OD1 ASP B 44 8.265 5.222 -8.687 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.219 3.376 -7.452 1.00 0.00 O ATOM 0 H ASP B 44 12.479 5.073 -7.015 1.00 0.00 H new ATOM 0 HA ASP B 44 10.259 6.460 -8.233 1.00 0.00 H new ATOM 0 HB2 ASP B 44 9.941 4.440 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP B 44 8.920 5.863 -6.015 1.00 0.00 H new ATOM 608 N ILE B 45 10.240 8.266 -6.467 1.00 0.00 N ATOM 609 CA ILE B 45 10.485 9.504 -5.736 1.00 0.00 C ATOM 610 C ILE B 45 9.173 10.011 -5.143 1.00 0.00 C ATOM 611 O ILE B 45 8.098 9.710 -5.662 1.00 0.00 O ATOM 612 CB ILE B 45 11.092 10.552 -6.686 1.00 0.00 C ATOM 613 CG1 ILE B 45 12.557 10.244 -7.018 1.00 0.00 C ATOM 614 CG2 ILE B 45 11.003 11.966 -6.097 1.00 0.00 C ATOM 615 CD1 ILE B 45 13.466 10.248 -5.785 1.00 0.00 C ATOM 0 H ILE B 45 9.378 8.286 -7.012 1.00 0.00 H new ATOM 0 HA ILE B 45 11.189 9.321 -4.924 1.00 0.00 H new ATOM 0 HB ILE B 45 10.504 10.505 -7.603 1.00 0.00 H new ATOM 0 HG12 ILE B 45 12.616 9.269 -7.503 1.00 0.00 H new ATOM 0 HG13 ILE B 45 12.923 10.979 -7.735 1.00 0.00 H new ATOM 0 HG21 ILE B 45 11.441 12.679 -6.795 1.00 0.00 H new ATOM 0 HG22 ILE B 45 9.958 12.223 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE B 45 11.547 12.002 -5.153 1.00 0.00 H new ATOM 0 HD11 ILE B 45 14.489 10.023 -6.087 1.00 0.00 H new ATOM 0 HD12 ILE B 45 13.434 11.230 -5.313 1.00 0.00 H new ATOM 0 HD13 ILE B 45 13.122 9.494 -5.077 1.00 0.00 H new ATOM 627 N ASP B 46 9.258 10.781 -4.056 1.00 0.00 N ATOM 628 CA ASP B 46 8.090 11.381 -3.428 1.00 0.00 C ATOM 629 C ASP B 46 8.442 12.785 -2.929 1.00 0.00 C ATOM 630 O ASP B 46 8.142 13.144 -1.793 1.00 0.00 O ATOM 631 CB ASP B 46 7.621 10.486 -2.284 1.00 0.00 C ATOM 632 CG ASP B 46 6.306 10.977 -1.683 1.00 0.00 C ATOM 633 OD1 ASP B 46 5.561 11.671 -2.409 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.063 10.651 -0.501 1.00 0.00 O ATOM 0 H ASP B 46 10.138 11.003 -3.591 1.00 0.00 H new ATOM 0 HA ASP B 46 7.278 11.472 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP B 46 7.496 9.466 -2.648 1.00 0.00 H new ATOM 0 HB3 ASP B 46 8.386 10.456 -1.509 1.00 0.00 H new ATOM 639 N LEU B 47 9.086 13.582 -3.789 1.00 0.00 N ATOM 640 CA LEU B 47 9.435 14.956 -3.462 1.00 0.00 C ATOM 641 C LEU B 47 8.176 15.779 -3.189 1.00 0.00 C ATOM 642 O LEU B 47 7.249 15.791 -4.000 1.00 0.00 O ATOM 643 CB LEU B 47 10.244 15.550 -4.622 1.00 0.00 C ATOM 644 CG LEU B 47 10.523 17.045 -4.433 1.00 0.00 C ATOM 645 CD1 LEU B 47 11.388 17.286 -3.197 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.257 17.573 -5.661 1.00 0.00 C ATOM 0 H LEU B 47 9.375 13.289 -4.722 1.00 0.00 H new ATOM 0 HA LEU B 47 10.040 14.977 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.189 15.015 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU B 47 9.701 15.399 -5.555 1.00 0.00 H new ATOM 0 HG LEU B 47 9.573 17.563 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU B 47 11.572 18.354 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU B 47 10.872 16.912 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU B 47 12.338 16.764 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU B 47 11.459 18.637 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.198 17.036 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU B 47 10.639 17.424 -6.546 1.00 0.00 H new ATOM 658 N LYS B 48 8.149 16.469 -2.044 1.00 0.00 N ATOM 659 CA LYS B 48 7.034 17.319 -1.641 1.00 0.00 C ATOM 660 C LYS B 48 7.516 18.353 -0.625 1.00 0.00 C ATOM 661 O LYS B 48 8.659 18.300 -0.176 1.00 0.00 O ATOM 662 CB LYS B 48 5.903 16.446 -1.084 1.00 0.00 C ATOM 663 CG LYS B 48 6.375 15.578 0.087 1.00 0.00 C ATOM 664 CD LYS B 48 5.269 14.582 0.451 1.00 0.00 C ATOM 665 CE LYS B 48 5.751 13.621 1.539 1.00 0.00 C ATOM 666 NZ LYS B 48 6.876 12.790 1.072 1.00 0.00 N ATOM 0 H LYS B 48 8.911 16.450 -1.367 1.00 0.00 H new ATOM 0 HA LYS B 48 6.643 17.862 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.081 17.082 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS B 48 5.514 15.806 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS B 48 7.287 15.045 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.615 16.204 0.946 1.00 0.00 H new ATOM 0 HD2 LYS B 48 4.387 15.120 0.797 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.972 14.019 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS B 48 6.058 14.189 2.417 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.927 12.978 1.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 6.529 11.839 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 7.303 13.225 0.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 7.590 12.718 1.824 1.00 0.00 H new ATOM 680 N ASN B 49 6.650 19.302 -0.257 1.00 0.00 N ATOM 681 CA ASN B 49 7.054 20.399 0.613 1.00 0.00 C ATOM 682 C ASN B 49 5.929 20.868 1.539 1.00 0.00 C ATOM 683 O ASN B 49 6.057 21.914 2.169 1.00 0.00 O ATOM 684 CB ASN B 49 7.574 21.562 -0.243 1.00 0.00 C ATOM 685 CG ASN B 49 6.526 22.076 -1.222 1.00 0.00 C ATOM 686 OD1 ASN B 49 5.356 21.710 -1.150 1.00 0.00 O ATOM 687 ND2 ASN B 49 6.946 22.933 -2.147 1.00 0.00 N ATOM 0 H ASN B 49 5.673 19.329 -0.548 1.00 0.00 H new ATOM 0 HA ASN B 49 7.849 20.031 1.262 1.00 0.00 H new ATOM 0 HB2 ASN B 49 7.889 22.377 0.409 1.00 0.00 H new ATOM 0 HB3 ASN B 49 8.455 21.237 -0.796 1.00 0.00 H new ATOM 0 HD21 ASN B 49 6.288 23.310 -2.829 1.00 0.00 H new ATOM 0 HD22 ASN B 49 7.926 23.213 -2.175 1.00 0.00 H new ATOM 770 N PRO B 55 11.532 21.793 1.713 1.00 0.00 N ATOM 771 CA PRO B 55 11.080 20.542 1.130 1.00 0.00 C ATOM 772 C PRO B 55 11.784 19.351 1.779 1.00 0.00 C ATOM 773 O PRO B 55 12.797 19.508 2.459 1.00 0.00 O ATOM 774 CB PRO B 55 11.428 20.638 -0.355 1.00 0.00 C ATOM 775 CG PRO B 55 12.626 21.591 -0.386 1.00 0.00 C ATOM 776 CD PRO B 55 12.375 22.533 0.791 1.00 0.00 C ATOM 0 HA PRO B 55 10.012 20.387 1.285 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.681 19.663 -0.771 1.00 0.00 H new ATOM 0 HB3 PRO B 55 10.593 21.026 -0.938 1.00 0.00 H new ATOM 0 HG2 PRO B 55 13.568 21.053 -0.274 1.00 0.00 H new ATOM 0 HG3 PRO B 55 12.680 22.135 -1.329 1.00 0.00 H new ATOM 0 HD2 PRO B 55 13.312 22.825 1.265 1.00 0.00 H new ATOM 0 HD3 PRO B 55 11.885 23.449 0.462 1.00 0.00 H new ATOM 784 N PHE B 56 11.233 18.158 1.558 1.00 0.00 N ATOM 785 CA PHE B 56 11.829 16.907 2.005 1.00 0.00 C ATOM 786 C PHE B 56 11.233 15.844 1.086 1.00 0.00 C ATOM 787 O PHE B 56 10.220 16.087 0.425 1.00 0.00 O ATOM 788 CB PHE B 56 11.436 16.652 3.462 1.00 0.00 C ATOM 789 CG PHE B 56 10.096 15.982 3.666 1.00 0.00 C ATOM 790 CD1 PHE B 56 10.047 14.660 4.140 1.00 0.00 C ATOM 791 CD2 PHE B 56 8.908 16.673 3.400 1.00 0.00 C ATOM 792 CE1 PHE B 56 8.813 14.042 4.378 1.00 0.00 C ATOM 793 CE2 PHE B 56 7.673 16.053 3.626 1.00 0.00 C ATOM 794 CZ PHE B 56 7.629 14.741 4.116 1.00 0.00 C ATOM 0 H PHE B 56 10.352 18.035 1.059 1.00 0.00 H new ATOM 0 HA PHE B 56 12.918 16.911 1.961 1.00 0.00 H new ATOM 0 HB2 PHE B 56 12.206 16.035 3.925 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.431 17.605 3.991 1.00 0.00 H new ATOM 0 HD1 PHE B 56 10.964 14.119 4.321 1.00 0.00 H new ATOM 0 HD2 PHE B 56 8.944 17.684 3.021 1.00 0.00 H new ATOM 0 HE1 PHE B 56 8.775 13.033 4.761 1.00 0.00 H new ATOM 0 HE2 PHE B 56 6.756 16.585 3.423 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.675 14.266 4.293 1.00 0.00 H new ATOM 804 N ALA B 57 11.846 14.662 1.031 1.00 0.00 N ATOM 805 CA ALA B 57 11.417 13.675 0.061 1.00 0.00 C ATOM 806 C ALA B 57 11.750 12.253 0.487 1.00 0.00 C ATOM 807 O ALA B 57 12.701 12.013 1.229 1.00 0.00 O ATOM 808 CB ALA B 57 12.093 13.979 -1.277 1.00 0.00 C ATOM 0 H ALA B 57 12.619 14.376 1.632 1.00 0.00 H new ATOM 0 HA ALA B 57 10.332 13.737 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA B 57 11.780 13.244 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA B 57 11.806 14.976 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.175 13.934 -1.156 1.00 0.00 H new ATOM 814 N PHE B 58 10.946 11.311 -0.004 1.00 0.00 N ATOM 815 CA PHE B 58 11.260 9.896 0.055 1.00 0.00 C ATOM 816 C PHE B 58 11.894 9.406 -1.238 1.00 0.00 C ATOM 817 O PHE B 58 11.585 9.914 -2.314 1.00 0.00 O ATOM 818 CB PHE B 58 10.052 9.058 0.473 1.00 0.00 C ATOM 819 CG PHE B 58 9.986 8.805 1.958 1.00 0.00 C ATOM 820 CD1 PHE B 58 9.918 9.873 2.865 1.00 0.00 C ATOM 821 CD2 PHE B 58 9.998 7.484 2.435 1.00 0.00 C ATOM 822 CE1 PHE B 58 9.888 9.621 4.242 1.00 0.00 C ATOM 823 CE2 PHE B 58 9.988 7.235 3.811 1.00 0.00 C ATOM 824 CZ PHE B 58 9.929 8.301 4.716 1.00 0.00 C ATOM 0 H PHE B 58 10.055 11.516 -0.455 1.00 0.00 H new ATOM 0 HA PHE B 58 12.008 9.763 0.837 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.140 9.565 0.157 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.083 8.102 -0.050 1.00 0.00 H new ATOM 0 HD1 PHE B 58 9.889 10.889 2.501 1.00 0.00 H new ATOM 0 HD2 PHE B 58 10.015 6.659 1.738 1.00 0.00 H new ATOM 0 HE1 PHE B 58 9.833 10.443 4.940 1.00 0.00 H new ATOM 0 HE2 PHE B 58 10.026 6.219 4.176 1.00 0.00 H new ATOM 0 HZ PHE B 58 9.915 8.108 5.778 1.00 0.00 H new ATOM 834 N VAL B 59 12.779 8.416 -1.132 1.00 0.00 N ATOM 835 CA VAL B 59 13.486 7.872 -2.278 1.00 0.00 C ATOM 836 C VAL B 59 13.446 6.355 -2.208 1.00 0.00 C ATOM 837 O VAL B 59 13.511 5.790 -1.117 1.00 0.00 O ATOM 838 CB VAL B 59 14.924 8.402 -2.289 1.00 0.00 C ATOM 839 CG1 VAL B 59 15.675 7.855 -3.497 1.00 0.00 C ATOM 840 CG2 VAL B 59 14.935 9.930 -2.338 1.00 0.00 C ATOM 0 H VAL B 59 13.022 7.972 -0.247 1.00 0.00 H new ATOM 0 HA VAL B 59 13.009 8.184 -3.207 1.00 0.00 H new ATOM 0 HB VAL B 59 15.415 8.072 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL B 59 16.696 8.238 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL B 59 15.696 6.766 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.171 8.169 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL B 59 15.965 10.286 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL B 59 14.428 10.269 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL B 59 14.420 10.326 -1.463 1.00 0.00 H new ATOM 850 N GLU B 60 13.335 5.691 -3.359 1.00 0.00 N ATOM 851 CA GLU B 60 13.220 4.245 -3.395 1.00 0.00 C ATOM 852 C GLU B 60 14.181 3.652 -4.418 1.00 0.00 C ATOM 853 O GLU B 60 14.090 3.938 -5.614 1.00 0.00 O ATOM 854 CB GLU B 60 11.768 3.875 -3.688 1.00 0.00 C ATOM 855 CG GLU B 60 11.620 2.370 -3.928 1.00 0.00 C ATOM 856 CD GLU B 60 10.170 1.917 -3.752 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.800 0.913 -4.396 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.445 2.578 -2.975 1.00 0.00 O ATOM 0 H GLU B 60 13.323 6.138 -4.276 1.00 0.00 H new ATOM 0 HA GLU B 60 13.498 3.824 -2.429 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.137 4.177 -2.852 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.420 4.422 -4.564 1.00 0.00 H new ATOM 0 HG2 GLU B 60 11.960 2.125 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.260 1.825 -3.234 1.00 0.00 H new ATOM 865 N PHE B 61 15.105 2.825 -3.928 1.00 0.00 N ATOM 866 CA PHE B 61 16.145 2.201 -4.735 1.00 0.00 C ATOM 867 C PHE B 61 15.730 0.884 -5.388 1.00 0.00 C ATOM 868 O PHE B 61 14.758 0.255 -4.977 1.00 0.00 O ATOM 869 CB PHE B 61 17.421 2.052 -3.910 1.00 0.00 C ATOM 870 CG PHE B 61 18.146 3.357 -3.676 1.00 0.00 C ATOM 871 CD1 PHE B 61 17.616 4.310 -2.791 1.00 0.00 C ATOM 872 CD2 PHE B 61 19.353 3.613 -4.339 1.00 0.00 C ATOM 873 CE1 PHE B 61 18.289 5.520 -2.580 1.00 0.00 C ATOM 874 CE2 PHE B 61 20.026 4.823 -4.130 1.00 0.00 C ATOM 875 CZ PHE B 61 19.492 5.777 -3.250 1.00 0.00 C ATOM 0 H PHE B 61 15.149 2.568 -2.942 1.00 0.00 H new ATOM 0 HA PHE B 61 16.334 2.870 -5.575 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.171 1.607 -2.947 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.092 1.359 -4.417 1.00 0.00 H new ATOM 0 HD1 PHE B 61 16.690 4.110 -2.273 1.00 0.00 H new ATOM 0 HD2 PHE B 61 19.765 2.876 -5.012 1.00 0.00 H new ATOM 0 HE1 PHE B 61 17.881 6.254 -1.901 1.00 0.00 H new ATOM 0 HE2 PHE B 61 20.954 5.022 -4.645 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.010 6.711 -3.089 1.00 0.00 H new ATOM 885 N GLU B 62 16.479 0.462 -6.413 1.00 0.00 N ATOM 886 CA GLU B 62 16.265 -0.832 -7.043 1.00 0.00 C ATOM 887 C GLU B 62 16.906 -1.944 -6.210 1.00 0.00 C ATOM 888 O GLU B 62 16.450 -3.084 -6.239 1.00 0.00 O ATOM 889 CB GLU B 62 16.847 -0.802 -8.458 1.00 0.00 C ATOM 890 CG GLU B 62 16.684 -2.162 -9.143 1.00 0.00 C ATOM 891 CD GLU B 62 16.958 -2.089 -10.647 1.00 0.00 C ATOM 892 OE1 GLU B 62 17.040 -3.173 -11.266 1.00 0.00 O ATOM 893 OE2 GLU B 62 17.080 -0.954 -11.161 1.00 0.00 O ATOM 0 H GLU B 62 17.240 1.005 -6.820 1.00 0.00 H new ATOM 0 HA GLU B 62 15.196 -1.038 -7.103 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.347 -0.032 -9.045 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.903 -0.535 -8.416 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.364 -2.881 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU B 62 15.672 -2.531 -8.977 1.00 0.00 H new ATOM 900 N ASP B 63 17.967 -1.600 -5.467 1.00 0.00 N ATOM 901 CA ASP B 63 18.686 -2.526 -4.600 1.00 0.00 C ATOM 902 C ASP B 63 19.059 -1.886 -3.262 1.00 0.00 C ATOM 903 O ASP B 63 19.388 -0.701 -3.222 1.00 0.00 O ATOM 904 CB ASP B 63 19.928 -3.074 -5.309 1.00 0.00 C ATOM 905 CG ASP B 63 19.590 -4.117 -6.378 1.00 0.00 C ATOM 906 OD1 ASP B 63 20.304 -4.124 -7.405 1.00 0.00 O ATOM 907 OD2 ASP B 63 18.635 -4.895 -6.156 1.00 0.00 O ATOM 0 H ASP B 63 18.351 -0.655 -5.456 1.00 0.00 H new ATOM 0 HA ASP B 63 18.015 -3.357 -4.382 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.470 -2.249 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP B 63 20.595 -3.520 -4.571 1.00 0.00 H new ATOM 912 N PRO B 64 19.014 -2.652 -2.165 1.00 0.00 N ATOM 913 CA PRO B 64 19.296 -2.152 -0.833 1.00 0.00 C ATOM 914 C PRO B 64 20.792 -1.911 -0.637 1.00 0.00 C ATOM 915 O PRO B 64 21.188 -1.168 0.260 1.00 0.00 O ATOM 916 CB PRO B 64 18.794 -3.242 0.118 1.00 0.00 C ATOM 917 CG PRO B 64 18.903 -4.525 -0.707 1.00 0.00 C ATOM 918 CD PRO B 64 18.666 -4.061 -2.143 1.00 0.00 C ATOM 0 HA PRO B 64 18.809 -1.194 -0.653 1.00 0.00 H new ATOM 0 HB2 PRO B 64 19.401 -3.295 1.022 1.00 0.00 H new ATOM 0 HB3 PRO B 64 17.768 -3.056 0.434 1.00 0.00 H new ATOM 0 HG2 PRO B 64 19.882 -4.990 -0.594 1.00 0.00 H new ATOM 0 HG3 PRO B 64 18.162 -5.262 -0.398 1.00 0.00 H new ATOM 0 HD2 PRO B 64 19.281 -4.627 -2.843 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.627 -4.212 -2.436 1.00 0.00 H new ATOM 926 N ARG B 65 21.630 -2.535 -1.473 1.00 0.00 N ATOM 927 CA ARG B 65 23.077 -2.415 -1.361 1.00 0.00 C ATOM 928 C ARG B 65 23.561 -1.053 -1.846 1.00 0.00 C ATOM 929 O ARG B 65 24.619 -0.590 -1.424 1.00 0.00 O ATOM 930 CB ARG B 65 23.741 -3.532 -2.166 1.00 0.00 C ATOM 931 CG ARG B 65 23.305 -4.904 -1.647 1.00 0.00 C ATOM 932 CD ARG B 65 24.020 -6.004 -2.434 1.00 0.00 C ATOM 933 NE ARG B 65 23.633 -7.335 -1.950 1.00 0.00 N ATOM 934 CZ ARG B 65 22.702 -8.098 -2.530 1.00 0.00 C ATOM 935 NH1 ARG B 65 22.047 -7.668 -3.605 1.00 0.00 N ATOM 936 NH2 ARG B 65 22.426 -9.301 -2.034 1.00 0.00 N ATOM 0 H ARG B 65 21.321 -3.132 -2.240 1.00 0.00 H new ATOM 0 HA ARG B 65 23.353 -2.506 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG B 65 23.477 -3.435 -3.219 1.00 0.00 H new ATOM 0 HB3 ARG B 65 24.825 -3.440 -2.100 1.00 0.00 H new ATOM 0 HG2 ARG B 65 23.538 -4.993 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG B 65 22.225 -5.015 -1.747 1.00 0.00 H new ATOM 0 HD2 ARG B 65 23.778 -5.914 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG B 65 25.099 -5.879 -2.342 1.00 0.00 H new ATOM 0 HE ARG B 65 24.103 -7.699 -1.121 1.00 0.00 H new ATOM 0 HH11 ARG B 65 22.254 -6.748 -3.994 1.00 0.00 H new ATOM 0 HH12 ARG B 65 21.338 -8.258 -4.040 1.00 0.00 H new ATOM 0 HH21 ARG B 65 22.925 -9.640 -1.212 1.00 0.00 H new ATOM 0 HH22 ARG B 65 21.715 -9.884 -2.476 1.00 0.00 H new ATOM 950 N ASP B 66 22.795 -0.409 -2.732 1.00 0.00 N ATOM 951 CA ASP B 66 23.160 0.894 -3.271 1.00 0.00 C ATOM 952 C ASP B 66 22.570 2.040 -2.451 1.00 0.00 C ATOM 953 O ASP B 66 23.073 3.161 -2.492 1.00 0.00 O ATOM 954 CB ASP B 66 22.720 0.986 -4.732 1.00 0.00 C ATOM 955 CG ASP B 66 23.463 0.004 -5.636 1.00 0.00 C ATOM 956 OD1 ASP B 66 23.099 -0.052 -6.830 1.00 0.00 O ATOM 957 OD2 ASP B 66 24.384 -0.679 -5.132 1.00 0.00 O ATOM 0 H ASP B 66 21.913 -0.776 -3.090 1.00 0.00 H new ATOM 0 HA ASP B 66 24.244 0.993 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP B 66 21.649 0.794 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP B 66 22.884 2.001 -5.093 1.00 0.00 H new ATOM 962 N ALA B 67 21.498 1.764 -1.696 1.00 0.00 N ATOM 963 CA ALA B 67 20.858 2.780 -0.877 1.00 0.00 C ATOM 964 C ALA B 67 21.782 3.200 0.263 1.00 0.00 C ATOM 965 O ALA B 67 21.692 4.323 0.750 1.00 0.00 O ATOM 966 CB ALA B 67 19.538 2.231 -0.332 1.00 0.00 C ATOM 0 H ALA B 67 21.062 0.843 -1.641 1.00 0.00 H new ATOM 0 HA ALA B 67 20.652 3.661 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA B 67 19.055 2.990 0.283 1.00 0.00 H new ATOM 0 HB2 ALA B 67 18.884 1.966 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA B 67 19.734 1.345 0.272 1.00 0.00 H new ATOM 972 N GLU B 68 22.674 2.300 0.689 1.00 0.00 N ATOM 973 CA GLU B 68 23.620 2.599 1.756 1.00 0.00 C ATOM 974 C GLU B 68 24.719 3.537 1.261 1.00 0.00 C ATOM 975 O GLU B 68 25.295 4.286 2.050 1.00 0.00 O ATOM 976 CB GLU B 68 24.235 1.294 2.276 1.00 0.00 C ATOM 977 CG GLU B 68 23.170 0.376 2.886 1.00 0.00 C ATOM 978 CD GLU B 68 22.569 0.946 4.173 1.00 0.00 C ATOM 979 OE1 GLU B 68 23.120 1.948 4.682 1.00 0.00 O ATOM 980 OE2 GLU B 68 21.561 0.363 4.635 1.00 0.00 O ATOM 0 H GLU B 68 22.757 1.358 0.307 1.00 0.00 H new ATOM 0 HA GLU B 68 23.088 3.098 2.566 1.00 0.00 H new ATOM 0 HB2 GLU B 68 24.738 0.777 1.459 1.00 0.00 H new ATOM 0 HB3 GLU B 68 24.994 1.521 3.025 1.00 0.00 H new ATOM 0 HG2 GLU B 68 22.375 0.215 2.158 1.00 0.00 H new ATOM 0 HG3 GLU B 68 23.612 -0.598 3.096 1.00 0.00 H new ATOM 987 N ASP B 69 25.007 3.508 -0.041 1.00 0.00 N ATOM 988 CA ASP B 69 26.034 4.366 -0.616 1.00 0.00 C ATOM 989 C ASP B 69 25.551 5.798 -0.791 1.00 0.00 C ATOM 990 O ASP B 69 26.321 6.738 -0.612 1.00 0.00 O ATOM 991 CB ASP B 69 26.523 3.790 -1.945 1.00 0.00 C ATOM 992 CG ASP B 69 27.339 2.509 -1.764 1.00 0.00 C ATOM 993 OD1 ASP B 69 27.707 1.915 -2.803 1.00 0.00 O ATOM 994 OD2 ASP B 69 27.593 2.134 -0.596 1.00 0.00 O ATOM 0 H ASP B 69 24.542 2.899 -0.714 1.00 0.00 H new ATOM 0 HA ASP B 69 26.869 4.395 0.084 1.00 0.00 H new ATOM 0 HB2 ASP B 69 25.665 3.583 -2.585 1.00 0.00 H new ATOM 0 HB3 ASP B 69 27.131 4.535 -2.458 1.00 0.00 H new ATOM 999 N ALA B 70 24.275 5.968 -1.142 1.00 0.00 N ATOM 1000 CA ALA B 70 23.680 7.286 -1.290 1.00 0.00 C ATOM 1001 C ALA B 70 23.443 7.920 0.077 1.00 0.00 C ATOM 1002 O ALA B 70 23.466 9.146 0.204 1.00 0.00 O ATOM 1003 CB ALA B 70 22.361 7.147 -2.047 1.00 0.00 C ATOM 0 H ALA B 70 23.633 5.198 -1.329 1.00 0.00 H new ATOM 0 HA ALA B 70 24.357 7.933 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.904 8.129 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.549 6.714 -3.029 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.687 6.498 -1.488 1.00 0.00 H new ATOM 1009 N VAL B 71 23.215 7.089 1.102 1.00 0.00 N ATOM 1010 CA VAL B 71 22.971 7.571 2.452 1.00 0.00 C ATOM 1011 C VAL B 71 24.310 7.897 3.103 1.00 0.00 C ATOM 1012 O VAL B 71 24.436 8.923 3.764 1.00 0.00 O ATOM 1013 CB VAL B 71 22.228 6.483 3.242 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.324 6.723 4.749 1.00 0.00 C ATOM 1015 CG2 VAL B 71 20.751 6.484 2.841 1.00 0.00 C ATOM 0 H VAL B 71 23.196 6.073 1.012 1.00 0.00 H new ATOM 0 HA VAL B 71 22.357 8.472 2.438 1.00 0.00 H new ATOM 0 HB VAL B 71 22.692 5.524 3.010 1.00 0.00 H new ATOM 0 HG11 VAL B 71 21.788 5.935 5.278 1.00 0.00 H new ATOM 0 HG12 VAL B 71 23.371 6.716 5.053 1.00 0.00 H new ATOM 0 HG13 VAL B 71 21.882 7.689 4.992 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.222 5.713 3.400 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.314 7.458 3.063 1.00 0.00 H new ATOM 0 HG23 VAL B 71 20.664 6.282 1.773 1.00 0.00 H new ATOM 1025 N SER B 72 25.317 7.039 2.923 1.00 0.00 N ATOM 1026 CA SER B 72 26.620 7.249 3.540 1.00 0.00 C ATOM 1027 C SER B 72 27.314 8.477 2.953 1.00 0.00 C ATOM 1028 O SER B 72 28.200 9.051 3.586 1.00 0.00 O ATOM 1029 CB SER B 72 27.474 5.998 3.332 1.00 0.00 C ATOM 1030 OG SER B 72 28.759 6.183 3.884 1.00 0.00 O ATOM 0 H SER B 72 25.251 6.194 2.355 1.00 0.00 H new ATOM 0 HA SER B 72 26.486 7.428 4.607 1.00 0.00 H new ATOM 0 HB2 SER B 72 26.991 5.139 3.798 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.557 5.779 2.267 1.00 0.00 H new ATOM 0 HG SER B 72 29.294 5.374 3.745 1.00 0.00 H new ATOM 1036 N GLY B 73 26.916 8.887 1.745 1.00 0.00 N ATOM 1037 CA GLY B 73 27.522 10.020 1.066 1.00 0.00 C ATOM 1038 C GLY B 73 26.837 11.349 1.396 1.00 0.00 C ATOM 1039 O GLY B 73 27.285 12.394 0.922 1.00 0.00 O ATOM 0 H GLY B 73 26.166 8.440 1.217 1.00 0.00 H new ATOM 0 HA2 GLY B 73 28.575 10.082 1.342 1.00 0.00 H new ATOM 0 HA3 GLY B 73 27.483 9.855 -0.011 1.00 0.00 H new ATOM 1043 N ARG B 74 25.759 11.325 2.193 1.00 0.00 N ATOM 1044 CA ARG B 74 24.974 12.530 2.461 1.00 0.00 C ATOM 1045 C ARG B 74 24.479 12.606 3.904 1.00 0.00 C ATOM 1046 O ARG B 74 23.944 13.637 4.313 1.00 0.00 O ATOM 1047 CB ARG B 74 23.782 12.582 1.504 1.00 0.00 C ATOM 1048 CG ARG B 74 24.233 12.652 0.042 1.00 0.00 C ATOM 1049 CD ARG B 74 23.003 12.699 -0.865 1.00 0.00 C ATOM 1050 NE ARG B 74 23.393 12.798 -2.277 1.00 0.00 N ATOM 1051 CZ ARG B 74 23.837 11.769 -3.002 1.00 0.00 C ATOM 1052 NH1 ARG B 74 23.960 10.559 -2.463 1.00 0.00 N ATOM 1053 NH2 ARG B 74 24.163 11.952 -4.278 1.00 0.00 N ATOM 0 H ARG B 74 25.415 10.486 2.660 1.00 0.00 H new ATOM 0 HA ARG B 74 25.630 13.386 2.304 1.00 0.00 H new ATOM 0 HB2 ARG B 74 23.159 11.700 1.651 1.00 0.00 H new ATOM 0 HB3 ARG B 74 23.166 13.450 1.737 1.00 0.00 H new ATOM 0 HG2 ARG B 74 24.851 13.536 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG B 74 24.847 11.785 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG B 74 22.400 11.804 -0.713 1.00 0.00 H new ATOM 0 HD3 ARG B 74 22.381 13.552 -0.595 1.00 0.00 H new ATOM 0 HE ARG B 74 23.320 13.708 -2.731 1.00 0.00 H new ATOM 0 HH11 ARG B 74 23.714 10.409 -1.485 1.00 0.00 H new ATOM 0 HH12 ARG B 74 24.301 9.781 -3.028 1.00 0.00 H new ATOM 0 HH21 ARG B 74 24.073 12.876 -4.700 1.00 0.00 H new ATOM 0 HH22 ARG B 74 24.503 11.168 -4.835 1.00 0.00 H new ATOM 1067 N ASP B 75 24.649 11.539 4.683 1.00 0.00 N ATOM 1068 CA ASP B 75 24.197 11.513 6.064 1.00 0.00 C ATOM 1069 C ASP B 75 24.984 12.479 6.949 1.00 0.00 C ATOM 1070 O ASP B 75 26.198 12.336 7.098 1.00 0.00 O ATOM 1071 CB ASP B 75 24.244 10.076 6.602 1.00 0.00 C ATOM 1072 CG ASP B 75 24.043 10.003 8.117 1.00 0.00 C ATOM 1073 OD1 ASP B 75 23.400 10.927 8.666 1.00 0.00 O ATOM 1074 OD2 ASP B 75 24.537 9.018 8.710 1.00 0.00 O ATOM 0 H ASP B 75 25.100 10.678 4.374 1.00 0.00 H new ATOM 0 HA ASP B 75 23.163 11.858 6.089 1.00 0.00 H new ATOM 0 HB2 ASP B 75 23.474 9.483 6.109 1.00 0.00 H new ATOM 0 HB3 ASP B 75 25.204 9.628 6.345 1.00 0.00 H new ATOM 1079 N GLY B 76 24.296 13.460 7.540 1.00 0.00 N ATOM 1080 CA GLY B 76 24.916 14.387 8.471 1.00 0.00 C ATOM 1081 C GLY B 76 26.020 15.196 7.797 1.00 0.00 C ATOM 1082 O GLY B 76 27.102 15.344 8.362 1.00 0.00 O ATOM 0 H GLY B 76 23.302 13.627 7.384 1.00 0.00 H new ATOM 0 HA2 GLY B 76 24.160 15.063 8.872 1.00 0.00 H new ATOM 0 HA3 GLY B 76 25.330 13.835 9.315 1.00 0.00 H new ATOM 1086 N TYR B 77 25.759 15.718 6.592 1.00 0.00 N ATOM 1087 CA TYR B 77 26.784 16.368 5.800 1.00 0.00 C ATOM 1088 C TYR B 77 26.804 17.882 5.958 1.00 0.00 C ATOM 1089 O TYR B 77 25.753 18.524 5.957 1.00 0.00 O ATOM 1090 CB TYR B 77 26.719 15.917 4.337 1.00 0.00 C ATOM 1091 CG TYR B 77 27.556 16.763 3.402 1.00 0.00 C ATOM 1092 CD1 TYR B 77 26.938 17.663 2.521 1.00 0.00 C ATOM 1093 CD2 TYR B 77 28.955 16.641 3.414 1.00 0.00 C ATOM 1094 CE1 TYR B 77 27.716 18.451 1.659 1.00 0.00 C ATOM 1095 CE2 TYR B 77 29.738 17.422 2.550 1.00 0.00 C ATOM 1096 CZ TYR B 77 29.118 18.332 1.670 1.00 0.00 C ATOM 1097 OH TYR B 77 29.878 19.097 0.834 1.00 0.00 O ATOM 0 H TYR B 77 24.839 15.697 6.152 1.00 0.00 H new ATOM 0 HA TYR B 77 27.745 16.040 6.197 1.00 0.00 H new ATOM 0 HB2 TYR B 77 27.051 14.881 4.270 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.681 15.942 4.004 1.00 0.00 H new ATOM 0 HD1 TYR B 77 25.862 17.750 2.506 1.00 0.00 H new ATOM 0 HD2 TYR B 77 29.429 15.945 4.090 1.00 0.00 H new ATOM 0 HE1 TYR B 77 27.239 19.149 0.987 1.00 0.00 H new ATOM 0 HE2 TYR B 77 30.814 17.326 2.559 1.00 0.00 H new ATOM 0 HH TYR B 77 30.826 18.890 0.972 1.00 0.00 H new ATOM 1107 N ASP B 78 28.006 18.436 6.100 1.00 0.00 N ATOM 1108 CA ASP B 78 28.214 19.859 6.315 1.00 0.00 C ATOM 1109 C ASP B 78 27.741 20.705 5.135 1.00 0.00 C ATOM 1110 O ASP B 78 28.395 20.751 4.091 1.00 0.00 O ATOM 1111 CB ASP B 78 29.689 20.110 6.653 1.00 0.00 C ATOM 1112 CG ASP B 78 30.058 21.596 6.650 1.00 0.00 C ATOM 1113 OD1 ASP B 78 29.144 22.428 6.843 1.00 0.00 O ATOM 1114 OD2 ASP B 78 31.260 21.884 6.456 1.00 0.00 O ATOM 0 H ASP B 78 28.872 17.898 6.068 1.00 0.00 H new ATOM 0 HA ASP B 78 27.601 20.174 7.159 1.00 0.00 H new ATOM 0 HB2 ASP B 78 29.908 19.689 7.634 1.00 0.00 H new ATOM 0 HB3 ASP B 78 30.316 19.584 5.933 1.00 0.00 H new ATOM 1119 N TYR B 79 26.601 21.375 5.309 1.00 0.00 N ATOM 1120 CA TYR B 79 26.028 22.263 4.314 1.00 0.00 C ATOM 1121 C TYR B 79 26.081 23.721 4.774 1.00 0.00 C ATOM 1122 O TYR B 79 26.410 23.998 5.927 1.00 0.00 O ATOM 1123 CB TYR B 79 24.609 21.795 3.983 1.00 0.00 C ATOM 1124 CG TYR B 79 23.830 22.706 3.062 1.00 0.00 C ATOM 1125 CD1 TYR B 79 23.919 22.539 1.673 1.00 0.00 C ATOM 1126 CD2 TYR B 79 23.021 23.714 3.602 1.00 0.00 C ATOM 1127 CE1 TYR B 79 23.188 23.378 0.818 1.00 0.00 C ATOM 1128 CE2 TYR B 79 22.289 24.557 2.754 1.00 0.00 C ATOM 1129 CZ TYR B 79 22.371 24.393 1.356 1.00 0.00 C ATOM 1130 OH TYR B 79 21.664 25.210 0.530 1.00 0.00 O ATOM 0 H TYR B 79 26.046 21.310 6.162 1.00 0.00 H new ATOM 0 HA TYR B 79 26.619 22.221 3.399 1.00 0.00 H new ATOM 0 HB2 TYR B 79 24.667 20.807 3.527 1.00 0.00 H new ATOM 0 HB3 TYR B 79 24.053 21.685 4.914 1.00 0.00 H new ATOM 0 HD1 TYR B 79 24.550 21.765 1.261 1.00 0.00 H new ATOM 0 HD2 TYR B 79 22.961 23.842 4.673 1.00 0.00 H new ATOM 0 HE1 TYR B 79 23.251 23.246 -0.252 1.00 0.00 H new ATOM 0 HE2 TYR B 79 21.663 25.332 3.171 1.00 0.00 H new ATOM 0 HH TYR B 79 21.153 25.853 1.065 1.00 0.00 H new ATOM 1140 N ASP B 80 25.756 24.657 3.881 1.00 0.00 N ATOM 1141 CA ASP B 80 25.779 26.074 4.194 1.00 0.00 C ATOM 1142 C ASP B 80 24.816 26.424 5.335 1.00 0.00 C ATOM 1143 O ASP B 80 23.615 26.580 5.114 1.00 0.00 O ATOM 1144 CB ASP B 80 25.488 26.888 2.927 1.00 0.00 C ATOM 1145 CG ASP B 80 25.277 28.376 3.218 1.00 0.00 C ATOM 1146 OD1 ASP B 80 24.663 29.040 2.352 1.00 0.00 O ATOM 1147 OD2 ASP B 80 25.728 28.835 4.289 1.00 0.00 O ATOM 0 H ASP B 80 25.471 24.448 2.924 1.00 0.00 H new ATOM 0 HA ASP B 80 26.776 26.334 4.550 1.00 0.00 H new ATOM 0 HB2 ASP B 80 26.316 26.772 2.227 1.00 0.00 H new ATOM 0 HB3 ASP B 80 24.600 26.488 2.439 1.00 0.00 H new ATOM 1152 N GLY B 81 25.351 26.550 6.556 1.00 0.00 N ATOM 1153 CA GLY B 81 24.580 26.932 7.731 1.00 0.00 C ATOM 1154 C GLY B 81 23.748 25.775 8.303 1.00 0.00 C ATOM 1155 O GLY B 81 23.117 25.941 9.346 1.00 0.00 O ATOM 0 H GLY B 81 26.339 26.387 6.751 1.00 0.00 H new ATOM 0 HA2 GLY B 81 25.259 27.300 8.501 1.00 0.00 H new ATOM 0 HA3 GLY B 81 23.916 27.756 7.471 1.00 0.00 H new ATOM 1159 N TYR B 82 23.740 24.616 7.635 1.00 0.00 N ATOM 1160 CA TYR B 82 22.952 23.461 8.062 1.00 0.00 C ATOM 1161 C TYR B 82 23.673 22.128 7.875 1.00 0.00 C ATOM 1162 O TYR B 82 24.861 22.097 7.558 1.00 0.00 O ATOM 1163 CB TYR B 82 21.590 23.471 7.354 1.00 0.00 C ATOM 1164 CG TYR B 82 20.688 24.609 7.778 1.00 0.00 C ATOM 1165 CD1 TYR B 82 20.821 25.864 7.166 1.00 0.00 C ATOM 1166 CD2 TYR B 82 19.726 24.408 8.777 1.00 0.00 C ATOM 1167 CE1 TYR B 82 19.990 26.924 7.552 1.00 0.00 C ATOM 1168 CE2 TYR B 82 18.889 25.463 9.169 1.00 0.00 C ATOM 1169 CZ TYR B 82 19.018 26.727 8.557 1.00 0.00 C ATOM 1170 OH TYR B 82 18.211 27.759 8.935 1.00 0.00 O ATOM 0 H TYR B 82 24.280 24.455 6.785 1.00 0.00 H new ATOM 0 HA TYR B 82 22.800 23.555 9.137 1.00 0.00 H new ATOM 0 HB2 TYR B 82 21.751 23.530 6.278 1.00 0.00 H new ATOM 0 HB3 TYR B 82 21.083 22.526 7.549 1.00 0.00 H new ATOM 0 HD1 TYR B 82 21.564 26.013 6.397 1.00 0.00 H new ATOM 0 HD2 TYR B 82 19.629 23.440 9.246 1.00 0.00 H new ATOM 0 HE1 TYR B 82 20.093 27.891 7.081 1.00 0.00 H new ATOM 0 HE2 TYR B 82 18.147 25.308 9.938 1.00 0.00 H new ATOM 0 HH TYR B 82 17.598 27.455 9.636 1.00 0.00 H new ATOM 1180 N ARG B 83 22.950 21.023 8.071 1.00 0.00 N ATOM 1181 CA ARG B 83 23.488 19.674 7.974 1.00 0.00 C ATOM 1182 C ARG B 83 22.422 18.745 7.400 1.00 0.00 C ATOM 1183 O ARG B 83 21.284 18.745 7.868 1.00 0.00 O ATOM 1184 CB ARG B 83 23.945 19.223 9.363 1.00 0.00 C ATOM 1185 CG ARG B 83 24.498 17.799 9.310 1.00 0.00 C ATOM 1186 CD ARG B 83 25.044 17.388 10.677 1.00 0.00 C ATOM 1187 NE ARG B 83 23.977 17.366 11.689 1.00 0.00 N ATOM 1188 CZ ARG B 83 23.945 18.151 12.769 1.00 0.00 C ATOM 1189 NH1 ARG B 83 24.913 19.036 12.994 1.00 0.00 N ATOM 1190 NH2 ARG B 83 22.938 18.055 13.630 1.00 0.00 N ATOM 0 H ARG B 83 21.958 21.046 8.305 1.00 0.00 H new ATOM 0 HA ARG B 83 24.348 19.648 7.305 1.00 0.00 H new ATOM 0 HB2 ARG B 83 24.710 19.902 9.739 1.00 0.00 H new ATOM 0 HB3 ARG B 83 23.108 19.268 10.060 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.713 17.108 9.002 1.00 0.00 H new ATOM 0 HG3 ARG B 83 25.288 17.737 8.562 1.00 0.00 H new ATOM 0 HD2 ARG B 83 25.503 16.402 10.607 1.00 0.00 H new ATOM 0 HD3 ARG B 83 25.826 18.083 10.984 1.00 0.00 H new ATOM 0 HE ARG B 83 23.210 16.707 11.557 1.00 0.00 H new ATOM 0 HH11 ARG B 83 25.690 19.120 12.338 1.00 0.00 H new ATOM 0 HH12 ARG B 83 24.878 19.630 13.822 1.00 0.00 H new ATOM 0 HH21 ARG B 83 22.189 17.382 13.466 1.00 0.00 H new ATOM 0 HH22 ARG B 83 22.913 18.654 14.455 1.00 0.00 H new ATOM 1204 N LEU B 84 22.792 17.954 6.392 1.00 0.00 N ATOM 1205 CA LEU B 84 21.855 17.085 5.692 1.00 0.00 C ATOM 1206 C LEU B 84 21.350 15.985 6.622 1.00 0.00 C ATOM 1207 O LEU B 84 22.026 15.604 7.575 1.00 0.00 O ATOM 1208 CB LEU B 84 22.523 16.473 4.455 1.00 0.00 C ATOM 1209 CG LEU B 84 22.444 17.407 3.247 1.00 0.00 C ATOM 1210 CD1 LEU B 84 23.256 18.680 3.483 1.00 0.00 C ATOM 1211 CD2 LEU B 84 22.995 16.681 2.022 1.00 0.00 C ATOM 0 H LEU B 84 23.748 17.900 6.041 1.00 0.00 H new ATOM 0 HA LEU B 84 21.002 17.682 5.369 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.567 16.253 4.677 1.00 0.00 H new ATOM 0 HB3 LEU B 84 22.042 15.525 4.214 1.00 0.00 H new ATOM 0 HG LEU B 84 21.402 17.687 3.090 1.00 0.00 H new ATOM 0 HD11 LEU B 84 23.182 19.326 2.608 1.00 0.00 H new ATOM 0 HD12 LEU B 84 22.865 19.204 4.355 1.00 0.00 H new ATOM 0 HD13 LEU B 84 24.300 18.419 3.654 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.943 17.339 1.155 1.00 0.00 H new ATOM 0 HD22 LEU B 84 24.033 16.400 2.202 1.00 0.00 H new ATOM 0 HD23 LEU B 84 22.404 15.785 1.833 1.00 0.00 H new ATOM 1223 N ARG B 85 20.146 15.479 6.330 1.00 0.00 N ATOM 1224 CA ARG B 85 19.513 14.415 7.100 1.00 0.00 C ATOM 1225 C ARG B 85 19.040 13.303 6.170 1.00 0.00 C ATOM 1226 O ARG B 85 17.906 12.835 6.273 1.00 0.00 O ATOM 1227 CB ARG B 85 18.375 14.986 7.954 1.00 0.00 C ATOM 1228 CG ARG B 85 18.934 15.953 9.001 1.00 0.00 C ATOM 1229 CD ARG B 85 17.830 16.431 9.945 1.00 0.00 C ATOM 1230 NE ARG B 85 16.869 17.300 9.254 1.00 0.00 N ATOM 1231 CZ ARG B 85 15.541 17.158 9.319 1.00 0.00 C ATOM 1232 NH1 ARG B 85 14.990 16.177 10.031 1.00 0.00 N ATOM 1233 NH2 ARG B 85 14.752 18.006 8.666 1.00 0.00 N ATOM 0 H ARG B 85 19.583 15.803 5.544 1.00 0.00 H new ATOM 0 HA ARG B 85 20.240 13.976 7.783 1.00 0.00 H new ATOM 0 HB2 ARG B 85 17.657 15.503 7.317 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.838 14.175 8.447 1.00 0.00 H new ATOM 0 HG2 ARG B 85 19.720 15.461 9.574 1.00 0.00 H new ATOM 0 HG3 ARG B 85 19.390 16.810 8.504 1.00 0.00 H new ATOM 0 HD2 ARG B 85 17.308 15.570 10.362 1.00 0.00 H new ATOM 0 HD3 ARG B 85 18.274 16.971 10.782 1.00 0.00 H new ATOM 0 HE ARG B 85 17.239 18.063 8.687 1.00 0.00 H new ATOM 0 HH11 ARG B 85 15.583 15.519 10.538 1.00 0.00 H new ATOM 0 HH12 ARG B 85 13.975 16.083 10.070 1.00 0.00 H new ATOM 0 HH21 ARG B 85 15.160 18.763 8.117 1.00 0.00 H new ATOM 0 HH22 ARG B 85 13.739 17.900 8.714 1.00 0.00 H new ATOM 1247 N VAL B 86 19.915 12.882 5.254 1.00 0.00 N ATOM 1248 CA VAL B 86 19.633 11.761 4.376 1.00 0.00 C ATOM 1249 C VAL B 86 19.821 10.475 5.170 1.00 0.00 C ATOM 1250 O VAL B 86 20.943 10.000 5.336 1.00 0.00 O ATOM 1251 CB VAL B 86 20.562 11.803 3.158 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.317 10.588 2.265 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.299 13.072 2.349 1.00 0.00 C ATOM 0 H VAL B 86 20.829 13.309 5.106 1.00 0.00 H new ATOM 0 HA VAL B 86 18.608 11.811 4.008 1.00 0.00 H new ATOM 0 HB VAL B 86 21.594 11.794 3.509 1.00 0.00 H new ATOM 0 HG11 VAL B 86 20.983 10.630 1.403 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.511 9.676 2.830 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.282 10.590 1.924 1.00 0.00 H new ATOM 0 HG21 VAL B 86 20.962 13.096 1.484 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.263 13.080 2.012 1.00 0.00 H new ATOM 0 HG23 VAL B 86 20.484 13.946 2.973 1.00 0.00 H new ATOM 1263 N GLU B 87 18.720 9.910 5.662 1.00 0.00 N ATOM 1264 CA GLU B 87 18.759 8.668 6.425 1.00 0.00 C ATOM 1265 C GLU B 87 17.454 7.891 6.257 1.00 0.00 C ATOM 1266 O GLU B 87 16.444 8.448 5.835 1.00 0.00 O ATOM 1267 CB GLU B 87 19.019 8.975 7.904 1.00 0.00 C ATOM 1268 CG GLU B 87 17.854 9.769 8.504 1.00 0.00 C ATOM 1269 CD GLU B 87 18.066 10.058 9.989 1.00 0.00 C ATOM 1270 OE1 GLU B 87 17.186 10.732 10.572 1.00 0.00 O ATOM 1271 OE2 GLU B 87 19.101 9.606 10.530 1.00 0.00 O ATOM 0 H GLU B 87 17.784 10.298 5.543 1.00 0.00 H new ATOM 0 HA GLU B 87 19.571 8.047 6.046 1.00 0.00 H new ATOM 0 HB2 GLU B 87 19.154 8.045 8.456 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.944 9.543 8.006 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.739 10.709 7.964 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.928 9.210 8.372 1.00 0.00 H new ATOM 1278 N PHE B 88 17.473 6.601 6.588 1.00 0.00 N ATOM 1279 CA PHE B 88 16.290 5.756 6.513 1.00 0.00 C ATOM 1280 C PHE B 88 15.252 6.023 7.604 1.00 0.00 C ATOM 1281 O PHE B 88 15.609 6.477 8.694 1.00 0.00 O ATOM 1282 CB PHE B 88 16.683 4.281 6.430 1.00 0.00 C ATOM 1283 CG PHE B 88 17.899 3.923 7.258 1.00 0.00 C ATOM 1284 CD1 PHE B 88 19.181 4.071 6.710 1.00 0.00 C ATOM 1285 CD2 PHE B 88 17.746 3.454 8.571 1.00 0.00 C ATOM 1286 CE1 PHE B 88 20.312 3.748 7.475 1.00 0.00 C ATOM 1287 CE2 PHE B 88 18.876 3.129 9.335 1.00 0.00 C ATOM 1288 CZ PHE B 88 20.158 3.277 8.787 1.00 0.00 C ATOM 0 H PHE B 88 18.309 6.116 6.915 1.00 0.00 H new ATOM 0 HA PHE B 88 15.781 6.029 5.588 1.00 0.00 H new ATOM 0 HB2 PHE B 88 15.841 3.672 6.757 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.876 4.025 5.388 1.00 0.00 H new ATOM 0 HD1 PHE B 88 19.298 4.433 5.699 1.00 0.00 H new ATOM 0 HD2 PHE B 88 16.758 3.343 8.993 1.00 0.00 H new ATOM 0 HE1 PHE B 88 21.300 3.862 7.054 1.00 0.00 H new ATOM 0 HE2 PHE B 88 18.759 2.765 10.345 1.00 0.00 H new ATOM 0 HZ PHE B 88 21.028 3.028 9.376 1.00 0.00 H new ATOM 1298 N PRO B 89 13.974 5.747 7.324 1.00 0.00 N ATOM 1299 CA PRO B 89 12.888 5.906 8.274 1.00 0.00 C ATOM 1300 C PRO B 89 13.030 4.914 9.430 1.00 0.00 C ATOM 1301 O PRO B 89 12.793 5.343 10.581 1.00 0.00 O ATOM 1302 CB PRO B 89 11.605 5.656 7.482 1.00 0.00 C ATOM 1303 CG PRO B 89 12.053 4.793 6.301 1.00 0.00 C ATOM 1304 CD PRO B 89 13.490 5.252 6.052 1.00 0.00 C ATOM 0 HA PRO B 89 12.886 6.899 8.723 1.00 0.00 H new ATOM 0 HB2 PRO B 89 10.857 5.144 8.088 1.00 0.00 H new ATOM 0 HB3 PRO B 89 11.157 6.591 7.145 1.00 0.00 H new ATOM 0 HG2 PRO B 89 12.006 3.730 6.539 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.423 4.952 5.426 1.00 0.00 H new ATOM 0 HD2 PRO B 89 14.107 4.428 5.693 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.525 6.031 5.291 1.00 0.00 H new