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 30:sc= -0.121 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -1.85 K(o=-1.8,f=-3.6!) USER MOD Single : B 30 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.13) USER MOD Single : B 37 SER OG : rot 142:sc= 0.762 USER MOD Single : B 38 LYS NZ :NH3+ -170:sc= -0.0114 (180deg=-0.147) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 173:sc= 0.89 (180deg=0.857) USER MOD Single : B 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 72 SER OG : rot -89:sc= 0.0421 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 14.195 -1.197 0.364 1.00 0.00 N ATOM 139 CA CYS B 16 15.248 -0.261 -0.009 1.00 0.00 C ATOM 140 C CYS B 16 14.752 1.186 -0.104 1.00 0.00 C ATOM 141 O CYS B 16 15.439 2.032 -0.672 1.00 0.00 O ATOM 142 CB CYS B 16 15.918 -0.722 -1.303 1.00 0.00 C ATOM 143 SG CYS B 16 16.594 -2.387 -1.059 1.00 0.00 S ATOM 0 HA CYS B 16 15.991 -0.261 0.789 1.00 0.00 H new ATOM 0 HB2 CYS B 16 15.196 -0.725 -2.120 1.00 0.00 H new ATOM 0 HB3 CYS B 16 16.713 -0.030 -1.582 1.00 0.00 H new ATOM 0 HG CYS B 16 15.877 -3.022 -0.180 1.00 0.00 H new ATOM 149 N ARG B 17 13.570 1.476 0.446 1.00 0.00 N ATOM 150 CA ARG B 17 13.080 2.844 0.544 1.00 0.00 C ATOM 151 C ARG B 17 13.871 3.629 1.584 1.00 0.00 C ATOM 152 O ARG B 17 14.261 3.081 2.615 1.00 0.00 O ATOM 153 CB ARG B 17 11.582 2.870 0.877 1.00 0.00 C ATOM 154 CG ARG B 17 10.760 2.928 -0.412 1.00 0.00 C ATOM 155 CD ARG B 17 9.270 3.106 -0.103 1.00 0.00 C ATOM 156 NE ARG B 17 8.730 1.954 0.631 1.00 0.00 N ATOM 157 CZ ARG B 17 8.287 0.837 0.044 1.00 0.00 C ATOM 158 NH1 ARG B 17 8.336 0.693 -1.276 1.00 0.00 N ATOM 159 NH2 ARG B 17 7.790 -0.145 0.788 1.00 0.00 N ATOM 0 H ARG B 17 12.936 0.775 0.830 1.00 0.00 H new ATOM 0 HA ARG B 17 13.221 3.319 -0.427 1.00 0.00 H new ATOM 0 HB2 ARG B 17 11.313 1.983 1.450 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.355 3.734 1.502 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.108 3.754 -1.033 1.00 0.00 H new ATOM 0 HG3 ARG B 17 10.910 2.013 -0.985 1.00 0.00 H new ATOM 0 HD2 ARG B 17 9.125 4.013 0.484 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.718 3.237 -1.034 1.00 0.00 H new ATOM 0 HE ARG B 17 8.691 2.009 1.649 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.716 1.441 -1.857 1.00 0.00 H new ATOM 0 HH12 ARG B 17 7.994 -0.165 -1.708 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.748 -0.045 1.802 1.00 0.00 H new ATOM 0 HH22 ARG B 17 7.451 -0.999 0.345 1.00 0.00 H new ATOM 173 N ILE B 18 14.098 4.916 1.309 1.00 0.00 N ATOM 174 CA ILE B 18 14.785 5.820 2.222 1.00 0.00 C ATOM 175 C ILE B 18 14.084 7.176 2.216 1.00 0.00 C ATOM 176 O ILE B 18 13.199 7.423 1.400 1.00 0.00 O ATOM 177 CB ILE B 18 16.262 5.975 1.831 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.410 6.694 0.484 1.00 0.00 C ATOM 179 CG2 ILE B 18 16.950 4.611 1.792 1.00 0.00 C ATOM 180 CD1 ILE B 18 17.866 7.101 0.246 1.00 0.00 C ATOM 0 H ILE B 18 13.806 5.359 0.438 1.00 0.00 H new ATOM 0 HA ILE B 18 14.750 5.401 3.228 1.00 0.00 H new ATOM 0 HB ILE B 18 16.747 6.589 2.590 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.073 6.041 -0.321 1.00 0.00 H new ATOM 0 HG13 ILE B 18 15.772 7.578 0.466 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.996 4.739 1.513 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.891 4.145 2.776 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.454 3.974 1.059 1.00 0.00 H new ATOM 0 HD11 ILE B 18 17.949 7.609 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.191 7.772 1.041 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.496 6.212 0.242 1.00 0.00 H new ATOM 192 N TYR B 19 14.497 8.041 3.142 1.00 0.00 N ATOM 193 CA TYR B 19 13.947 9.378 3.311 1.00 0.00 C ATOM 194 C TYR B 19 14.938 10.492 2.992 1.00 0.00 C ATOM 195 O TYR B 19 16.149 10.317 3.140 1.00 0.00 O ATOM 196 CB TYR B 19 13.308 9.520 4.698 1.00 0.00 C ATOM 197 CG TYR B 19 13.450 10.892 5.324 1.00 0.00 C ATOM 198 CD1 TYR B 19 12.424 11.845 5.225 1.00 0.00 C ATOM 199 CD2 TYR B 19 14.630 11.199 6.021 1.00 0.00 C ATOM 200 CE1 TYR B 19 12.574 13.104 5.830 1.00 0.00 C ATOM 201 CE2 TYR B 19 14.786 12.451 6.620 1.00 0.00 C ATOM 202 CZ TYR B 19 13.765 13.414 6.522 1.00 0.00 C ATOM 203 OH TYR B 19 13.932 14.637 7.098 1.00 0.00 O ATOM 0 H TYR B 19 15.239 7.824 3.807 1.00 0.00 H new ATOM 0 HA TYR B 19 13.161 9.501 2.566 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.248 9.279 4.621 1.00 0.00 H new ATOM 0 HB3 TYR B 19 13.755 8.783 5.366 1.00 0.00 H new ATOM 0 HD1 TYR B 19 11.519 11.610 4.684 1.00 0.00 H new ATOM 0 HD2 TYR B 19 15.419 10.465 6.094 1.00 0.00 H new ATOM 0 HE1 TYR B 19 11.780 13.833 5.766 1.00 0.00 H new ATOM 0 HE2 TYR B 19 15.693 12.681 7.160 1.00 0.00 H new ATOM 0 HH TYR B 19 14.809 14.677 7.533 1.00 0.00 H new ATOM 213 N VAL B 20 14.414 11.639 2.551 1.00 0.00 N ATOM 214 CA VAL B 20 15.215 12.804 2.216 1.00 0.00 C ATOM 215 C VAL B 20 14.539 14.058 2.758 1.00 0.00 C ATOM 216 O VAL B 20 13.313 14.144 2.767 1.00 0.00 O ATOM 217 CB VAL B 20 15.416 12.890 0.696 1.00 0.00 C ATOM 218 CG1 VAL B 20 16.339 14.059 0.352 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.026 11.597 0.153 1.00 0.00 C ATOM 0 H VAL B 20 13.413 11.779 2.418 1.00 0.00 H new ATOM 0 HA VAL B 20 16.199 12.716 2.676 1.00 0.00 H new ATOM 0 HB VAL B 20 14.439 13.043 0.237 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.474 14.110 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.895 14.989 0.707 1.00 0.00 H new ATOM 0 HG13 VAL B 20 17.306 13.912 0.832 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.159 11.682 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL B 20 16.993 11.425 0.625 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.361 10.761 0.372 1.00 0.00 H new ATOM 229 N GLY B 21 15.333 15.031 3.205 1.00 0.00 N ATOM 230 CA GLY B 21 14.805 16.255 3.788 1.00 0.00 C ATOM 231 C GLY B 21 15.804 17.400 3.681 1.00 0.00 C ATOM 232 O GLY B 21 16.924 17.214 3.199 1.00 0.00 O ATOM 0 H GLY B 21 16.352 14.990 3.172 1.00 0.00 H new ATOM 0 HA2 GLY B 21 13.879 16.530 3.283 1.00 0.00 H new ATOM 0 HA3 GLY B 21 14.558 16.083 4.836 1.00 0.00 H new ATOM 236 N ASN B 22 15.384 18.585 4.138 1.00 0.00 N ATOM 237 CA ASN B 22 16.116 19.837 3.988 1.00 0.00 C ATOM 238 C ASN B 22 16.280 20.216 2.511 1.00 0.00 C ATOM 239 O ASN B 22 15.992 19.418 1.617 1.00 0.00 O ATOM 240 CB ASN B 22 17.462 19.748 4.715 1.00 0.00 C ATOM 241 CG ASN B 22 18.162 21.097 4.744 1.00 0.00 C ATOM 242 OD1 ASN B 22 17.532 22.120 4.989 1.00 0.00 O ATOM 243 ND2 ASN B 22 19.468 21.108 4.495 1.00 0.00 N ATOM 0 H ASN B 22 14.501 18.697 4.635 1.00 0.00 H new ATOM 0 HA ASN B 22 15.538 20.638 4.449 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.305 19.395 5.734 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.099 19.016 4.218 1.00 0.00 H new ATOM 0 HD21 ASN B 22 19.981 21.989 4.504 1.00 0.00 H new ATOM 0 HD22 ASN B 22 19.956 20.235 4.295 1.00 0.00 H new ATOM 250 N LEU B 23 16.744 21.442 2.256 1.00 0.00 N ATOM 251 CA LEU B 23 16.997 21.919 0.906 1.00 0.00 C ATOM 252 C LEU B 23 18.064 21.045 0.245 1.00 0.00 C ATOM 253 O LEU B 23 18.971 20.565 0.924 1.00 0.00 O ATOM 254 CB LEU B 23 17.455 23.381 0.959 1.00 0.00 C ATOM 255 CG LEU B 23 16.392 24.288 1.592 1.00 0.00 C ATOM 256 CD1 LEU B 23 16.964 25.689 1.764 1.00 0.00 C ATOM 257 CD2 LEU B 23 15.152 24.377 0.701 1.00 0.00 C ATOM 0 H LEU B 23 16.953 22.127 2.983 1.00 0.00 H new ATOM 0 HA LEU B 23 16.083 21.859 0.316 1.00 0.00 H new ATOM 0 HB2 LEU B 23 18.380 23.452 1.531 1.00 0.00 H new ATOM 0 HB3 LEU B 23 17.676 23.729 -0.050 1.00 0.00 H new ATOM 0 HG LEU B 23 16.110 23.865 2.556 1.00 0.00 H new ATOM 0 HD11 LEU B 23 16.211 26.337 2.214 1.00 0.00 H new ATOM 0 HD12 LEU B 23 17.840 25.647 2.411 1.00 0.00 H new ATOM 0 HD13 LEU B 23 17.250 26.087 0.791 1.00 0.00 H new ATOM 0 HD21 LEU B 23 14.412 25.025 1.171 1.00 0.00 H new ATOM 0 HD22 LEU B 23 15.430 24.787 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU B 23 14.729 23.382 0.566 1.00 0.00 H new ATOM 366 N LYS B 30 15.347 18.274 -10.427 1.00 0.00 N ATOM 367 CA LYS B 30 15.882 17.054 -11.016 1.00 0.00 C ATOM 368 C LYS B 30 16.916 16.416 -10.083 1.00 0.00 C ATOM 369 O LYS B 30 17.416 15.327 -10.356 1.00 0.00 O ATOM 370 CB LYS B 30 16.489 17.398 -12.383 1.00 0.00 C ATOM 371 CG LYS B 30 16.744 16.155 -13.243 1.00 0.00 C ATOM 372 CD LYS B 30 15.416 15.525 -13.669 1.00 0.00 C ATOM 373 CE LYS B 30 15.683 14.259 -14.483 1.00 0.00 C ATOM 374 NZ LYS B 30 14.417 13.609 -14.875 1.00 0.00 N ATOM 0 HA LYS B 30 15.085 16.323 -11.155 1.00 0.00 H new ATOM 0 HB2 LYS B 30 15.818 18.072 -12.915 1.00 0.00 H new ATOM 0 HB3 LYS B 30 17.427 17.933 -12.236 1.00 0.00 H new ATOM 0 HG2 LYS B 30 17.325 16.427 -14.124 1.00 0.00 H new ATOM 0 HG3 LYS B 30 17.335 15.431 -12.682 1.00 0.00 H new ATOM 0 HD2 LYS B 30 14.818 15.284 -12.790 1.00 0.00 H new ATOM 0 HD3 LYS B 30 14.839 16.235 -14.262 1.00 0.00 H new ATOM 0 HE2 LYS B 30 16.259 14.509 -15.374 1.00 0.00 H new ATOM 0 HE3 LYS B 30 16.287 13.566 -13.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 14.621 12.790 -15.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 13.912 13.291 -14.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 13.825 14.288 -15.395 1.00 0.00 H new ATOM 388 N ASP B 31 17.244 17.093 -8.976 1.00 0.00 N ATOM 389 CA ASP B 31 18.255 16.622 -8.043 1.00 0.00 C ATOM 390 C ASP B 31 17.999 15.189 -7.566 1.00 0.00 C ATOM 391 O ASP B 31 18.917 14.372 -7.513 1.00 0.00 O ATOM 392 CB ASP B 31 18.344 17.585 -6.860 1.00 0.00 C ATOM 393 CG ASP B 31 19.136 16.990 -5.699 1.00 0.00 C ATOM 394 OD1 ASP B 31 18.593 16.997 -4.571 1.00 0.00 O ATOM 395 OD2 ASP B 31 20.274 16.538 -5.953 1.00 0.00 O ATOM 0 H ASP B 31 16.814 17.978 -8.709 1.00 0.00 H new ATOM 0 HA ASP B 31 19.209 16.600 -8.570 1.00 0.00 H new ATOM 0 HB2 ASP B 31 18.815 18.513 -7.183 1.00 0.00 H new ATOM 0 HB3 ASP B 31 17.339 17.838 -6.522 1.00 0.00 H new ATOM 400 N ILE B 32 16.743 14.892 -7.219 1.00 0.00 N ATOM 401 CA ILE B 32 16.358 13.598 -6.676 1.00 0.00 C ATOM 402 C ILE B 32 16.236 12.552 -7.793 1.00 0.00 C ATOM 403 O ILE B 32 16.014 11.375 -7.519 1.00 0.00 O ATOM 404 CB ILE B 32 15.050 13.758 -5.887 1.00 0.00 C ATOM 405 CG1 ILE B 32 14.726 12.474 -5.110 1.00 0.00 C ATOM 406 CG2 ILE B 32 13.887 14.106 -6.819 1.00 0.00 C ATOM 407 CD1 ILE B 32 13.698 12.759 -4.012 1.00 0.00 C ATOM 0 H ILE B 32 15.967 15.548 -7.309 1.00 0.00 H new ATOM 0 HA ILE B 32 17.130 13.237 -5.996 1.00 0.00 H new ATOM 0 HB ILE B 32 15.187 14.576 -5.180 1.00 0.00 H new ATOM 0 HG12 ILE B 32 14.339 11.717 -5.792 1.00 0.00 H new ATOM 0 HG13 ILE B 32 15.637 12.069 -4.668 1.00 0.00 H new ATOM 0 HG21 ILE B 32 12.973 14.214 -6.235 1.00 0.00 H new ATOM 0 HG22 ILE B 32 14.101 15.042 -7.334 1.00 0.00 H new ATOM 0 HG23 ILE B 32 13.758 13.310 -7.552 1.00 0.00 H new ATOM 0 HD11 ILE B 32 13.479 11.839 -3.471 1.00 0.00 H new ATOM 0 HD12 ILE B 32 14.100 13.500 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE B 32 12.782 13.142 -4.462 1.00 0.00 H new ATOM 419 N GLU B 33 16.381 12.976 -9.053 1.00 0.00 N ATOM 420 CA GLU B 33 16.287 12.079 -10.198 1.00 0.00 C ATOM 421 C GLU B 33 17.611 12.013 -10.960 1.00 0.00 C ATOM 422 O GLU B 33 17.697 11.321 -11.976 1.00 0.00 O ATOM 423 CB GLU B 33 15.172 12.544 -11.130 1.00 0.00 C ATOM 424 CG GLU B 33 13.830 12.596 -10.403 1.00 0.00 C ATOM 425 CD GLU B 33 12.675 12.837 -11.372 1.00 0.00 C ATOM 426 OE1 GLU B 33 11.513 12.776 -10.908 1.00 0.00 O ATOM 427 OE2 GLU B 33 12.955 13.081 -12.568 1.00 0.00 O ATOM 0 H GLU B 33 16.566 13.948 -9.302 1.00 0.00 H new ATOM 0 HA GLU B 33 16.059 11.079 -9.829 1.00 0.00 H new ATOM 0 HB2 GLU B 33 15.413 13.531 -11.525 1.00 0.00 H new ATOM 0 HB3 GLU B 33 15.101 11.868 -11.982 1.00 0.00 H new ATOM 0 HG2 GLU B 33 13.668 11.660 -9.869 1.00 0.00 H new ATOM 0 HG3 GLU B 33 13.851 13.390 -9.656 1.00 0.00 H new ATOM 434 N ASP B 34 18.636 12.724 -10.485 1.00 0.00 N ATOM 435 CA ASP B 34 19.942 12.723 -11.128 1.00 0.00 C ATOM 436 C ASP B 34 21.073 12.341 -10.174 1.00 0.00 C ATOM 437 O ASP B 34 21.842 11.423 -10.457 1.00 0.00 O ATOM 438 CB ASP B 34 20.180 14.078 -11.810 1.00 0.00 C ATOM 439 CG ASP B 34 21.618 14.253 -12.295 1.00 0.00 C ATOM 440 OD1 ASP B 34 22.253 13.227 -12.626 1.00 0.00 O ATOM 441 OD2 ASP B 34 22.062 15.422 -12.331 1.00 0.00 O ATOM 0 H ASP B 34 18.581 13.310 -9.652 1.00 0.00 H new ATOM 0 HA ASP B 34 19.945 11.945 -11.892 1.00 0.00 H new ATOM 0 HB2 ASP B 34 19.501 14.177 -12.657 1.00 0.00 H new ATOM 0 HB3 ASP B 34 19.937 14.879 -11.111 1.00 0.00 H new ATOM 446 N VAL B 35 21.185 13.037 -9.039 1.00 0.00 N ATOM 447 CA VAL B 35 22.256 12.769 -8.085 1.00 0.00 C ATOM 448 C VAL B 35 22.022 11.416 -7.419 1.00 0.00 C ATOM 449 O VAL B 35 22.961 10.644 -7.237 1.00 0.00 O ATOM 450 CB VAL B 35 22.316 13.892 -7.048 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.389 13.595 -6.000 1.00 0.00 C ATOM 452 CG2 VAL B 35 22.648 15.216 -7.736 1.00 0.00 C ATOM 0 H VAL B 35 20.549 13.785 -8.763 1.00 0.00 H new ATOM 0 HA VAL B 35 23.213 12.734 -8.605 1.00 0.00 H new ATOM 0 HB VAL B 35 21.344 13.961 -6.559 1.00 0.00 H new ATOM 0 HG11 VAL B 35 23.418 14.404 -5.270 1.00 0.00 H new ATOM 0 HG12 VAL B 35 23.154 12.658 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL B 35 24.360 13.511 -6.487 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.689 16.012 -6.993 1.00 0.00 H new ATOM 0 HG22 VAL B 35 23.614 15.135 -8.235 1.00 0.00 H new ATOM 0 HG23 VAL B 35 21.878 15.447 -8.472 1.00 0.00 H new ATOM 462 N PHE B 36 20.773 11.119 -7.054 1.00 0.00 N ATOM 463 CA PHE B 36 20.445 9.824 -6.483 1.00 0.00 C ATOM 464 C PHE B 36 20.581 8.685 -7.487 1.00 0.00 C ATOM 465 O PHE B 36 20.849 7.545 -7.111 1.00 0.00 O ATOM 466 CB PHE B 36 19.067 9.859 -5.823 1.00 0.00 C ATOM 467 CG PHE B 36 19.046 10.588 -4.498 1.00 0.00 C ATOM 468 CD1 PHE B 36 18.996 9.857 -3.300 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.082 11.991 -4.456 1.00 0.00 C ATOM 470 CE1 PHE B 36 18.980 10.527 -2.067 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.062 12.659 -3.224 1.00 0.00 C ATOM 472 CZ PHE B 36 19.010 11.929 -2.029 1.00 0.00 C ATOM 0 H PHE B 36 19.982 11.756 -7.145 1.00 0.00 H new ATOM 0 HA PHE B 36 21.180 9.615 -5.706 1.00 0.00 H new ATOM 0 HB2 PHE B 36 18.361 10.337 -6.502 1.00 0.00 H new ATOM 0 HB3 PHE B 36 18.721 8.837 -5.671 1.00 0.00 H new ATOM 0 HD1 PHE B 36 18.970 8.778 -3.328 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.125 12.557 -5.375 1.00 0.00 H new ATOM 0 HE1 PHE B 36 18.945 9.963 -1.147 1.00 0.00 H new ATOM 0 HE2 PHE B 36 19.087 13.738 -3.196 1.00 0.00 H new ATOM 0 HZ PHE B 36 18.993 12.445 -1.080 1.00 0.00 H new ATOM 482 N SER B 37 20.399 9.000 -8.772 1.00 0.00 N ATOM 483 CA SER B 37 20.555 8.027 -9.842 1.00 0.00 C ATOM 484 C SER B 37 22.027 7.700 -10.053 1.00 0.00 C ATOM 485 O SER B 37 22.354 6.646 -10.597 1.00 0.00 O ATOM 486 CB SER B 37 19.936 8.581 -11.123 1.00 0.00 C ATOM 487 OG SER B 37 18.548 8.764 -10.937 1.00 0.00 O ATOM 0 H SER B 37 20.141 9.933 -9.093 1.00 0.00 H new ATOM 0 HA SER B 37 20.042 7.105 -9.569 1.00 0.00 H new ATOM 0 HB2 SER B 37 20.406 9.529 -11.386 1.00 0.00 H new ATOM 0 HB3 SER B 37 20.115 7.896 -11.951 1.00 0.00 H new ATOM 0 HG SER B 37 18.262 9.584 -11.392 1.00 0.00 H new ATOM 493 N LYS B 38 22.917 8.602 -9.621 1.00 0.00 N ATOM 494 CA LYS B 38 24.350 8.349 -9.642 1.00 0.00 C ATOM 495 C LYS B 38 24.728 7.442 -8.478 1.00 0.00 C ATOM 496 O LYS B 38 25.673 6.658 -8.585 1.00 0.00 O ATOM 497 CB LYS B 38 25.094 9.685 -9.576 1.00 0.00 C ATOM 498 CG LYS B 38 26.608 9.462 -9.646 1.00 0.00 C ATOM 499 CD LYS B 38 27.351 10.804 -9.618 1.00 0.00 C ATOM 500 CE LYS B 38 26.974 11.692 -10.805 1.00 0.00 C ATOM 501 NZ LYS B 38 27.327 11.058 -12.090 1.00 0.00 N ATOM 0 H LYS B 38 22.660 9.517 -9.252 1.00 0.00 H new ATOM 0 HA LYS B 38 24.631 7.842 -10.565 1.00 0.00 H new ATOM 0 HB2 LYS B 38 24.777 10.325 -10.399 1.00 0.00 H new ATOM 0 HB3 LYS B 38 24.840 10.204 -8.652 1.00 0.00 H new ATOM 0 HG2 LYS B 38 26.930 8.844 -8.808 1.00 0.00 H new ATOM 0 HG3 LYS B 38 26.860 8.919 -10.557 1.00 0.00 H new ATOM 0 HD2 LYS B 38 27.123 11.325 -8.688 1.00 0.00 H new ATOM 0 HD3 LYS B 38 28.426 10.624 -9.627 1.00 0.00 H new ATOM 0 HE2 LYS B 38 25.904 11.897 -10.781 1.00 0.00 H new ATOM 0 HE3 LYS B 38 27.484 12.651 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 27.217 11.749 -12.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 28.314 10.732 -12.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 26.700 10.246 -12.261 1.00 0.00 H new ATOM 515 N TYR B 39 23.992 7.540 -7.365 1.00 0.00 N ATOM 516 CA TYR B 39 24.167 6.626 -6.244 1.00 0.00 C ATOM 517 C TYR B 39 23.677 5.202 -6.508 1.00 0.00 C ATOM 518 O TYR B 39 24.131 4.264 -5.858 1.00 0.00 O ATOM 519 CB TYR B 39 23.571 7.210 -4.966 1.00 0.00 C ATOM 520 CG TYR B 39 24.460 8.241 -4.311 1.00 0.00 C ATOM 521 CD1 TYR B 39 25.580 7.823 -3.577 1.00 0.00 C ATOM 522 CD2 TYR B 39 24.168 9.607 -4.435 1.00 0.00 C ATOM 523 CE1 TYR B 39 26.431 8.772 -2.994 1.00 0.00 C ATOM 524 CE2 TYR B 39 25.007 10.561 -3.847 1.00 0.00 C ATOM 525 CZ TYR B 39 26.149 10.148 -3.132 1.00 0.00 C ATOM 526 OH TYR B 39 26.978 11.074 -2.573 1.00 0.00 O ATOM 0 H TYR B 39 23.270 8.246 -7.222 1.00 0.00 H new ATOM 0 HA TYR B 39 25.244 6.524 -6.108 1.00 0.00 H new ATOM 0 HB2 TYR B 39 22.608 7.665 -5.197 1.00 0.00 H new ATOM 0 HB3 TYR B 39 23.381 6.402 -4.259 1.00 0.00 H new ATOM 0 HD1 TYR B 39 25.787 6.769 -3.461 1.00 0.00 H new ATOM 0 HD2 TYR B 39 23.294 9.924 -4.985 1.00 0.00 H new ATOM 0 HE1 TYR B 39 27.301 8.451 -2.440 1.00 0.00 H new ATOM 0 HE2 TYR B 39 24.779 11.613 -3.941 1.00 0.00 H new ATOM 0 HH TYR B 39 26.639 11.974 -2.763 1.00 0.00 H new ATOM 536 N GLY B 40 22.757 5.039 -7.460 1.00 0.00 N ATOM 537 CA GLY B 40 22.311 3.722 -7.882 1.00 0.00 C ATOM 538 C GLY B 40 21.011 3.803 -8.673 1.00 0.00 C ATOM 539 O GLY B 40 20.418 4.872 -8.794 1.00 0.00 O ATOM 0 H GLY B 40 22.308 5.811 -7.952 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.082 3.253 -8.493 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.168 3.087 -7.008 1.00 0.00 H new ATOM 543 N ALA B 41 20.564 2.667 -9.214 1.00 0.00 N ATOM 544 CA ALA B 41 19.340 2.618 -9.995 1.00 0.00 C ATOM 545 C ALA B 41 18.129 2.788 -9.077 1.00 0.00 C ATOM 546 O ALA B 41 17.967 2.042 -8.109 1.00 0.00 O ATOM 547 CB ALA B 41 19.270 1.288 -10.744 1.00 0.00 C ATOM 0 H ALA B 41 21.038 1.769 -9.121 1.00 0.00 H new ATOM 0 HA ALA B 41 19.335 3.431 -10.721 1.00 0.00 H new ATOM 0 HB1 ALA B 41 18.352 1.249 -11.331 1.00 0.00 H new ATOM 0 HB2 ALA B 41 20.130 1.199 -11.408 1.00 0.00 H new ATOM 0 HB3 ALA B 41 19.278 0.466 -10.028 1.00 0.00 H new ATOM 553 N ILE B 42 17.276 3.770 -9.384 1.00 0.00 N ATOM 554 CA ILE B 42 16.092 4.048 -8.584 1.00 0.00 C ATOM 555 C ILE B 42 14.866 3.421 -9.240 1.00 0.00 C ATOM 556 O ILE B 42 14.720 3.476 -10.461 1.00 0.00 O ATOM 557 CB ILE B 42 15.901 5.564 -8.425 1.00 0.00 C ATOM 558 CG1 ILE B 42 17.219 6.248 -8.052 1.00 0.00 C ATOM 559 CG2 ILE B 42 14.838 5.823 -7.354 1.00 0.00 C ATOM 560 CD1 ILE B 42 17.026 7.758 -7.896 1.00 0.00 C ATOM 0 H ILE B 42 17.390 4.387 -10.188 1.00 0.00 H new ATOM 0 HA ILE B 42 16.222 3.613 -7.593 1.00 0.00 H new ATOM 0 HB ILE B 42 15.572 5.984 -9.375 1.00 0.00 H new ATOM 0 HG12 ILE B 42 17.600 5.828 -7.121 1.00 0.00 H new ATOM 0 HG13 ILE B 42 17.966 6.050 -8.821 1.00 0.00 H new ATOM 0 HG21 ILE B 42 14.696 6.897 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE B 42 13.897 5.364 -7.657 1.00 0.00 H new ATOM 0 HG23 ILE B 42 15.163 5.393 -6.407 1.00 0.00 H new ATOM 0 HD11 ILE B 42 17.977 8.221 -7.631 1.00 0.00 H new ATOM 0 HD12 ILE B 42 16.667 8.178 -8.836 1.00 0.00 H new ATOM 0 HD13 ILE B 42 16.296 7.952 -7.110 1.00 0.00 H new ATOM 572 N ARG B 43 13.986 2.832 -8.431 1.00 0.00 N ATOM 573 CA ARG B 43 12.718 2.288 -8.902 1.00 0.00 C ATOM 574 C ARG B 43 11.656 3.380 -8.922 1.00 0.00 C ATOM 575 O ARG B 43 10.891 3.469 -9.877 1.00 0.00 O ATOM 576 CB ARG B 43 12.263 1.160 -7.973 1.00 0.00 C ATOM 577 CG ARG B 43 13.253 -0.006 -7.978 1.00 0.00 C ATOM 578 CD ARG B 43 12.824 -1.052 -6.945 1.00 0.00 C ATOM 579 NE ARG B 43 11.469 -1.550 -7.213 1.00 0.00 N ATOM 580 CZ ARG B 43 11.198 -2.542 -8.068 1.00 0.00 C ATOM 581 NH1 ARG B 43 12.173 -3.149 -8.741 1.00 0.00 N ATOM 582 NH2 ARG B 43 9.937 -2.934 -8.247 1.00 0.00 N ATOM 0 H ARG B 43 14.135 2.720 -7.428 1.00 0.00 H new ATOM 0 HA ARG B 43 12.855 1.900 -9.911 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.157 1.544 -6.958 1.00 0.00 H new ATOM 0 HB3 ARG B 43 11.280 0.805 -8.284 1.00 0.00 H new ATOM 0 HG2 ARG B 43 13.295 -0.456 -8.970 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.256 0.355 -7.749 1.00 0.00 H new ATOM 0 HD2 ARG B 43 13.527 -1.885 -6.955 1.00 0.00 H new ATOM 0 HD3 ARG B 43 12.861 -0.616 -5.947 1.00 0.00 H new ATOM 0 HE ARG B 43 10.690 -1.115 -6.719 1.00 0.00 H new ATOM 0 HH11 ARG B 43 13.142 -2.859 -8.608 1.00 0.00 H new ATOM 0 HH12 ARG B 43 11.951 -3.904 -9.390 1.00 0.00 H new ATOM 0 HH21 ARG B 43 9.183 -2.478 -7.733 1.00 0.00 H new ATOM 0 HH22 ARG B 43 9.726 -3.690 -8.898 1.00 0.00 H new ATOM 596 N ASP B 44 11.616 4.202 -7.865 1.00 0.00 N ATOM 597 CA ASP B 44 10.608 5.246 -7.707 1.00 0.00 C ATOM 598 C ASP B 44 11.058 6.445 -6.870 1.00 0.00 C ATOM 599 O ASP B 44 11.999 6.343 -6.083 1.00 0.00 O ATOM 600 CB ASP B 44 9.311 4.652 -7.145 1.00 0.00 C ATOM 601 CG ASP B 44 8.470 3.960 -8.218 1.00 0.00 C ATOM 602 OD1 ASP B 44 8.008 2.833 -7.946 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.302 4.565 -9.300 1.00 0.00 O ATOM 0 H ASP B 44 12.285 4.158 -7.097 1.00 0.00 H new ATOM 0 HA ASP B 44 10.436 5.642 -8.708 1.00 0.00 H new ATOM 0 HB2 ASP B 44 9.554 3.936 -6.360 1.00 0.00 H new ATOM 0 HB3 ASP B 44 8.723 5.445 -6.682 1.00 0.00 H new ATOM 608 N ILE B 45 10.368 7.578 -7.053 1.00 0.00 N ATOM 609 CA ILE B 45 10.614 8.813 -6.321 1.00 0.00 C ATOM 610 C ILE B 45 9.299 9.347 -5.760 1.00 0.00 C ATOM 611 O ILE B 45 8.243 9.152 -6.362 1.00 0.00 O ATOM 612 CB ILE B 45 11.278 9.852 -7.244 1.00 0.00 C ATOM 613 CG1 ILE B 45 12.766 9.548 -7.434 1.00 0.00 C ATOM 614 CG2 ILE B 45 11.160 11.261 -6.653 1.00 0.00 C ATOM 615 CD1 ILE B 45 13.002 8.709 -8.691 1.00 0.00 C ATOM 0 H ILE B 45 9.609 7.656 -7.730 1.00 0.00 H new ATOM 0 HA ILE B 45 11.292 8.613 -5.491 1.00 0.00 H new ATOM 0 HB ILE B 45 10.761 9.801 -8.202 1.00 0.00 H new ATOM 0 HG12 ILE B 45 13.324 10.481 -7.506 1.00 0.00 H new ATOM 0 HG13 ILE B 45 13.146 9.016 -6.562 1.00 0.00 H new ATOM 0 HG21 ILE B 45 11.636 11.977 -7.322 1.00 0.00 H new ATOM 0 HG22 ILE B 45 10.108 11.519 -6.535 1.00 0.00 H new ATOM 0 HG23 ILE B 45 11.652 11.290 -5.681 1.00 0.00 H new ATOM 0 HD11 ILE B 45 14.068 8.509 -8.800 1.00 0.00 H new ATOM 0 HD12 ILE B 45 12.462 7.766 -8.605 1.00 0.00 H new ATOM 0 HD13 ILE B 45 12.644 9.254 -9.565 1.00 0.00 H new ATOM 627 N ASP B 46 9.357 10.023 -4.609 1.00 0.00 N ATOM 628 CA ASP B 46 8.185 10.640 -4.011 1.00 0.00 C ATOM 629 C ASP B 46 8.525 12.000 -3.401 1.00 0.00 C ATOM 630 O ASP B 46 8.421 12.182 -2.187 1.00 0.00 O ATOM 631 CB ASP B 46 7.577 9.701 -2.973 1.00 0.00 C ATOM 632 CG ASP B 46 6.356 10.334 -2.302 1.00 0.00 C ATOM 633 OD1 ASP B 46 5.643 11.099 -2.990 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.147 10.042 -1.105 1.00 0.00 O ATOM 0 H ASP B 46 10.215 10.154 -4.074 1.00 0.00 H new ATOM 0 HA ASP B 46 7.446 10.816 -4.793 1.00 0.00 H new ATOM 0 HB2 ASP B 46 7.288 8.765 -3.451 1.00 0.00 H new ATOM 0 HB3 ASP B 46 8.324 9.456 -2.218 1.00 0.00 H new ATOM 639 N LEU B 47 8.931 12.956 -4.239 1.00 0.00 N ATOM 640 CA LEU B 47 9.076 14.335 -3.803 1.00 0.00 C ATOM 641 C LEU B 47 7.719 14.839 -3.304 1.00 0.00 C ATOM 642 O LEU B 47 6.704 14.630 -3.967 1.00 0.00 O ATOM 643 CB LEU B 47 9.609 15.183 -4.966 1.00 0.00 C ATOM 644 CG LEU B 47 9.663 16.672 -4.604 1.00 0.00 C ATOM 645 CD1 LEU B 47 10.642 16.921 -3.461 1.00 0.00 C ATOM 646 CD2 LEU B 47 10.117 17.471 -5.821 1.00 0.00 C ATOM 0 H LEU B 47 9.163 12.796 -5.219 1.00 0.00 H new ATOM 0 HA LEU B 47 9.791 14.410 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU B 47 10.606 14.839 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU B 47 8.972 15.044 -5.840 1.00 0.00 H new ATOM 0 HG LEU B 47 8.667 16.985 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU B 47 10.661 17.985 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU B 47 10.326 16.359 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU B 47 11.639 16.597 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU B 47 10.156 18.530 -5.567 1.00 0.00 H new ATOM 0 HD22 LEU B 47 11.107 17.135 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU B 47 9.412 17.320 -6.639 1.00 0.00 H new ATOM 658 N LYS B 48 7.695 15.502 -2.138 1.00 0.00 N ATOM 659 CA LYS B 48 6.446 15.902 -1.503 1.00 0.00 C ATOM 660 C LYS B 48 6.590 17.261 -0.817 1.00 0.00 C ATOM 661 O LYS B 48 7.681 17.638 -0.391 1.00 0.00 O ATOM 662 CB LYS B 48 6.045 14.818 -0.497 1.00 0.00 C ATOM 663 CG LYS B 48 4.544 14.868 -0.183 1.00 0.00 C ATOM 664 CD LYS B 48 4.182 13.913 0.959 1.00 0.00 C ATOM 665 CE LYS B 48 4.743 12.505 0.732 1.00 0.00 C ATOM 666 NZ LYS B 48 4.176 11.880 -0.476 1.00 0.00 N ATOM 0 H LYS B 48 8.532 15.769 -1.621 1.00 0.00 H new ATOM 0 HA LYS B 48 5.668 16.007 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS B 48 6.301 13.837 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.615 14.946 0.423 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.261 15.885 0.087 1.00 0.00 H new ATOM 0 HG3 LYS B 48 3.975 14.605 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS B 48 4.567 14.309 1.898 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.098 13.860 1.056 1.00 0.00 H new ATOM 0 HE2 LYS B 48 5.828 12.556 0.640 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.526 11.882 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 4.664 10.981 -0.663 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.162 11.700 -0.330 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 4.301 12.517 -1.288 1.00 0.00 H new ATOM 680 N ASN B 49 5.482 17.997 -0.707 1.00 0.00 N ATOM 681 CA ASN B 49 5.457 19.299 -0.059 1.00 0.00 C ATOM 682 C ASN B 49 5.503 19.143 1.463 1.00 0.00 C ATOM 683 O ASN B 49 5.181 18.080 1.994 1.00 0.00 O ATOM 684 CB ASN B 49 4.193 20.042 -0.502 1.00 0.00 C ATOM 685 CG ASN B 49 4.138 21.453 0.071 1.00 0.00 C ATOM 686 OD1 ASN B 49 3.452 21.700 1.056 1.00 0.00 O ATOM 687 ND2 ASN B 49 4.862 22.381 -0.548 1.00 0.00 N ATOM 0 H ASN B 49 4.575 17.700 -1.068 1.00 0.00 H new ATOM 0 HA ASN B 49 6.334 19.876 -0.352 1.00 0.00 H new ATOM 0 HB2 ASN B 49 4.162 20.090 -1.591 1.00 0.00 H new ATOM 0 HB3 ASN B 49 3.312 19.485 -0.182 1.00 0.00 H new ATOM 0 HD21 ASN B 49 4.860 23.342 -0.206 1.00 0.00 H new ATOM 0 HD22 ASN B 49 5.419 22.132 -1.365 1.00 0.00 H new ATOM 770 N PRO B 55 10.848 21.237 1.920 1.00 0.00 N ATOM 771 CA PRO B 55 10.264 20.026 1.369 1.00 0.00 C ATOM 772 C PRO B 55 11.028 18.777 1.817 1.00 0.00 C ATOM 773 O PRO B 55 12.124 18.877 2.375 1.00 0.00 O ATOM 774 CB PRO B 55 10.335 20.179 -0.153 1.00 0.00 C ATOM 775 CG PRO B 55 10.509 21.681 -0.380 1.00 0.00 C ATOM 776 CD PRO B 55 11.240 22.156 0.870 1.00 0.00 C ATOM 0 HA PRO B 55 9.239 19.899 1.718 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.170 19.615 -0.570 1.00 0.00 H new ATOM 0 HB3 PRO B 55 9.429 19.808 -0.632 1.00 0.00 H new ATOM 0 HG2 PRO B 55 11.086 21.885 -1.282 1.00 0.00 H new ATOM 0 HG3 PRO B 55 9.548 22.182 -0.496 1.00 0.00 H new ATOM 0 HD2 PRO B 55 12.320 22.145 0.721 1.00 0.00 H new ATOM 0 HD3 PRO B 55 10.964 23.180 1.121 1.00 0.00 H new ATOM 784 N PHE B 56 10.450 17.600 1.570 1.00 0.00 N ATOM 785 CA PHE B 56 11.071 16.334 1.926 1.00 0.00 C ATOM 786 C PHE B 56 10.564 15.317 0.905 1.00 0.00 C ATOM 787 O PHE B 56 9.643 15.606 0.138 1.00 0.00 O ATOM 788 CB PHE B 56 10.629 15.950 3.342 1.00 0.00 C ATOM 789 CG PHE B 56 9.300 15.228 3.427 1.00 0.00 C ATOM 790 CD1 PHE B 56 8.112 15.884 3.079 1.00 0.00 C ATOM 791 CD2 PHE B 56 9.261 13.896 3.868 1.00 0.00 C ATOM 792 CE1 PHE B 56 6.888 15.213 3.185 1.00 0.00 C ATOM 793 CE2 PHE B 56 8.034 13.231 3.995 1.00 0.00 C ATOM 794 CZ PHE B 56 6.847 13.886 3.640 1.00 0.00 C ATOM 0 H PHE B 56 9.541 17.503 1.118 1.00 0.00 H new ATOM 0 HA PHE B 56 12.160 16.382 1.915 1.00 0.00 H new ATOM 0 HB2 PHE B 56 11.397 15.318 3.787 1.00 0.00 H new ATOM 0 HB3 PHE B 56 10.572 16.855 3.946 1.00 0.00 H new ATOM 0 HD1 PHE B 56 8.140 16.906 2.730 1.00 0.00 H new ATOM 0 HD2 PHE B 56 10.179 13.382 4.110 1.00 0.00 H new ATOM 0 HE1 PHE B 56 5.972 15.718 2.916 1.00 0.00 H new ATOM 0 HE2 PHE B 56 8.003 12.217 4.365 1.00 0.00 H new ATOM 0 HZ PHE B 56 5.901 13.370 3.717 1.00 0.00 H new ATOM 804 N ALA B 57 11.164 14.125 0.884 1.00 0.00 N ATOM 805 CA ALA B 57 10.829 13.134 -0.125 1.00 0.00 C ATOM 806 C ALA B 57 11.194 11.726 0.331 1.00 0.00 C ATOM 807 O ALA B 57 11.857 11.544 1.351 1.00 0.00 O ATOM 808 CB ALA B 57 11.596 13.472 -1.404 1.00 0.00 C ATOM 0 H ALA B 57 11.877 13.830 1.551 1.00 0.00 H new ATOM 0 HA ALA B 57 9.753 13.157 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA B 57 11.358 12.739 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA B 57 11.310 14.466 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA B 57 12.667 13.452 -1.202 1.00 0.00 H new ATOM 814 N PHE B 58 10.750 10.731 -0.443 1.00 0.00 N ATOM 815 CA PHE B 58 11.190 9.356 -0.282 1.00 0.00 C ATOM 816 C PHE B 58 11.775 8.841 -1.593 1.00 0.00 C ATOM 817 O PHE B 58 11.426 9.332 -2.667 1.00 0.00 O ATOM 818 CB PHE B 58 10.040 8.472 0.208 1.00 0.00 C ATOM 819 CG PHE B 58 9.511 8.859 1.568 1.00 0.00 C ATOM 820 CD1 PHE B 58 8.313 9.576 1.671 1.00 0.00 C ATOM 821 CD2 PHE B 58 10.213 8.503 2.731 1.00 0.00 C ATOM 822 CE1 PHE B 58 7.840 9.984 2.926 1.00 0.00 C ATOM 823 CE2 PHE B 58 9.726 8.889 3.988 1.00 0.00 C ATOM 824 CZ PHE B 58 8.544 9.637 4.087 1.00 0.00 C ATOM 0 H PHE B 58 10.076 10.864 -1.197 1.00 0.00 H new ATOM 0 HA PHE B 58 11.972 9.319 0.476 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.225 8.518 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.379 7.437 0.241 1.00 0.00 H new ATOM 0 HD1 PHE B 58 7.751 9.816 0.780 1.00 0.00 H new ATOM 0 HD2 PHE B 58 11.127 7.932 2.657 1.00 0.00 H new ATOM 0 HE1 PHE B 58 6.933 10.566 2.998 1.00 0.00 H new ATOM 0 HE2 PHE B 58 10.263 8.609 4.882 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.177 9.945 5.055 1.00 0.00 H new ATOM 834 N VAL B 59 12.663 7.851 -1.506 1.00 0.00 N ATOM 835 CA VAL B 59 13.334 7.286 -2.670 1.00 0.00 C ATOM 836 C VAL B 59 13.365 5.778 -2.508 1.00 0.00 C ATOM 837 O VAL B 59 13.596 5.288 -1.405 1.00 0.00 O ATOM 838 CB VAL B 59 14.755 7.855 -2.763 1.00 0.00 C ATOM 839 CG1 VAL B 59 15.553 7.138 -3.849 1.00 0.00 C ATOM 840 CG2 VAL B 59 14.714 9.348 -3.089 1.00 0.00 C ATOM 0 H VAL B 59 12.936 7.419 -0.623 1.00 0.00 H new ATOM 0 HA VAL B 59 12.805 7.542 -3.588 1.00 0.00 H new ATOM 0 HB VAL B 59 15.237 7.703 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL B 59 16.558 7.557 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL B 59 15.614 6.075 -3.614 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.058 7.269 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL B 59 15.731 9.735 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL B 59 14.210 9.498 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL B 59 14.172 9.877 -2.305 1.00 0.00 H new ATOM 850 N GLU B 60 13.139 5.040 -3.595 1.00 0.00 N ATOM 851 CA GLU B 60 13.134 3.585 -3.553 1.00 0.00 C ATOM 852 C GLU B 60 14.173 3.031 -4.519 1.00 0.00 C ATOM 853 O GLU B 60 13.989 3.099 -5.735 1.00 0.00 O ATOM 854 CB GLU B 60 11.727 3.074 -3.883 1.00 0.00 C ATOM 855 CG GLU B 60 11.710 1.545 -3.945 1.00 0.00 C ATOM 856 CD GLU B 60 10.286 1.002 -4.073 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.350 1.727 -3.669 1.00 0.00 O ATOM 858 OE2 GLU B 60 10.155 -0.137 -4.571 1.00 0.00 O ATOM 0 H GLU B 60 12.956 5.433 -4.519 1.00 0.00 H new ATOM 0 HA GLU B 60 13.398 3.241 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.022 3.421 -3.127 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.399 3.486 -4.838 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.306 1.208 -4.793 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.175 1.139 -3.047 1.00 0.00 H new ATOM 865 N PHE B 61 15.266 2.484 -3.978 1.00 0.00 N ATOM 866 CA PHE B 61 16.319 1.869 -4.777 1.00 0.00 C ATOM 867 C PHE B 61 16.015 0.455 -5.267 1.00 0.00 C ATOM 868 O PHE B 61 15.145 -0.227 -4.720 1.00 0.00 O ATOM 869 CB PHE B 61 17.656 1.934 -4.040 1.00 0.00 C ATOM 870 CG PHE B 61 18.297 3.299 -4.073 1.00 0.00 C ATOM 871 CD1 PHE B 61 18.977 3.727 -5.222 1.00 0.00 C ATOM 872 CD2 PHE B 61 18.215 4.139 -2.957 1.00 0.00 C ATOM 873 CE1 PHE B 61 19.571 4.990 -5.256 1.00 0.00 C ATOM 874 CE2 PHE B 61 18.818 5.401 -2.986 1.00 0.00 C ATOM 875 CZ PHE B 61 19.496 5.829 -4.136 1.00 0.00 C ATOM 0 H PHE B 61 15.441 2.457 -2.974 1.00 0.00 H new ATOM 0 HA PHE B 61 16.379 2.463 -5.689 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.504 1.638 -3.002 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.340 1.209 -4.481 1.00 0.00 H new ATOM 0 HD1 PHE B 61 19.041 3.078 -6.083 1.00 0.00 H new ATOM 0 HD2 PHE B 61 17.686 3.813 -2.073 1.00 0.00 H new ATOM 0 HE1 PHE B 61 20.088 5.320 -6.145 1.00 0.00 H new ATOM 0 HE2 PHE B 61 18.761 6.046 -2.122 1.00 0.00 H new ATOM 0 HZ PHE B 61 19.960 6.804 -4.159 1.00 0.00 H new ATOM 885 N GLU B 62 16.739 0.018 -6.302 1.00 0.00 N ATOM 886 CA GLU B 62 16.634 -1.342 -6.811 1.00 0.00 C ATOM 887 C GLU B 62 17.356 -2.321 -5.881 1.00 0.00 C ATOM 888 O GLU B 62 16.939 -3.470 -5.753 1.00 0.00 O ATOM 889 CB GLU B 62 17.228 -1.384 -8.228 1.00 0.00 C ATOM 890 CG GLU B 62 17.313 -2.808 -8.791 1.00 0.00 C ATOM 891 CD GLU B 62 15.937 -3.445 -9.010 1.00 0.00 C ATOM 892 OE1 GLU B 62 14.921 -2.748 -8.787 1.00 0.00 O ATOM 893 OE2 GLU B 62 15.917 -4.632 -9.404 1.00 0.00 O ATOM 0 H GLU B 62 17.410 0.599 -6.805 1.00 0.00 H new ATOM 0 HA GLU B 62 15.587 -1.643 -6.850 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.618 -0.771 -8.892 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.225 -0.943 -8.213 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.853 -2.788 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU B 62 17.891 -3.430 -8.107 1.00 0.00 H new ATOM 900 N ASP B 63 18.430 -1.860 -5.231 1.00 0.00 N ATOM 901 CA ASP B 63 19.245 -2.674 -4.332 1.00 0.00 C ATOM 902 C ASP B 63 19.543 -1.961 -3.009 1.00 0.00 C ATOM 903 O ASP B 63 19.616 -0.732 -2.974 1.00 0.00 O ATOM 904 CB ASP B 63 20.541 -3.102 -5.031 1.00 0.00 C ATOM 905 CG ASP B 63 20.327 -4.194 -6.080 1.00 0.00 C ATOM 906 OD1 ASP B 63 19.370 -4.983 -5.920 1.00 0.00 O ATOM 907 OD2 ASP B 63 21.136 -4.226 -7.034 1.00 0.00 O ATOM 0 H ASP B 63 18.759 -0.898 -5.318 1.00 0.00 H new ATOM 0 HA ASP B 63 18.668 -3.564 -4.083 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.993 -2.232 -5.508 1.00 0.00 H new ATOM 0 HB3 ASP B 63 21.249 -3.459 -4.283 1.00 0.00 H new ATOM 912 N PRO B 64 19.725 -2.718 -1.918 1.00 0.00 N ATOM 913 CA PRO B 64 20.012 -2.166 -0.606 1.00 0.00 C ATOM 914 C PRO B 64 21.418 -1.572 -0.561 1.00 0.00 C ATOM 915 O PRO B 64 21.704 -0.726 0.286 1.00 0.00 O ATOM 916 CB PRO B 64 19.891 -3.344 0.362 1.00 0.00 C ATOM 917 CG PRO B 64 20.174 -4.571 -0.505 1.00 0.00 C ATOM 918 CD PRO B 64 19.657 -4.168 -1.883 1.00 0.00 C ATOM 0 HA PRO B 64 19.328 -1.357 -0.350 1.00 0.00 H new ATOM 0 HB2 PRO B 64 20.605 -3.262 1.181 1.00 0.00 H new ATOM 0 HB3 PRO B 64 18.898 -3.392 0.809 1.00 0.00 H new ATOM 0 HG2 PRO B 64 21.238 -4.807 -0.530 1.00 0.00 H new ATOM 0 HG3 PRO B 64 19.660 -5.455 -0.127 1.00 0.00 H new ATOM 0 HD2 PRO B 64 20.265 -4.608 -2.674 1.00 0.00 H new ATOM 0 HD3 PRO B 64 18.635 -4.516 -2.035 1.00 0.00 H new ATOM 926 N ARG B 65 22.298 -2.005 -1.471 1.00 0.00 N ATOM 927 CA ARG B 65 23.661 -1.488 -1.542 1.00 0.00 C ATOM 928 C ARG B 65 23.658 -0.070 -2.102 1.00 0.00 C ATOM 929 O ARG B 65 24.548 0.718 -1.782 1.00 0.00 O ATOM 930 CB ARG B 65 24.514 -2.407 -2.423 1.00 0.00 C ATOM 931 CG ARG B 65 24.544 -3.823 -1.852 1.00 0.00 C ATOM 932 CD ARG B 65 25.433 -4.705 -2.721 1.00 0.00 C ATOM 933 NE ARG B 65 25.499 -6.072 -2.189 1.00 0.00 N ATOM 934 CZ ARG B 65 24.708 -7.074 -2.591 1.00 0.00 C ATOM 935 NH1 ARG B 65 23.782 -6.873 -3.522 1.00 0.00 N ATOM 936 NH2 ARG B 65 24.845 -8.281 -2.053 1.00 0.00 N ATOM 0 H ARG B 65 22.085 -2.716 -2.170 1.00 0.00 H new ATOM 0 HA ARG B 65 24.087 -1.461 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG B 65 24.111 -2.426 -3.436 1.00 0.00 H new ATOM 0 HB3 ARG B 65 25.529 -2.015 -2.491 1.00 0.00 H new ATOM 0 HG2 ARG B 65 24.920 -3.806 -0.829 1.00 0.00 H new ATOM 0 HG3 ARG B 65 23.534 -4.232 -1.814 1.00 0.00 H new ATOM 0 HD2 ARG B 65 25.046 -4.726 -3.740 1.00 0.00 H new ATOM 0 HD3 ARG B 65 26.436 -4.281 -2.769 1.00 0.00 H new ATOM 0 HE ARG B 65 26.192 -6.271 -1.467 1.00 0.00 H new ATOM 0 HH11 ARG B 65 23.669 -5.948 -3.937 1.00 0.00 H new ATOM 0 HH12 ARG B 65 23.184 -7.643 -3.821 1.00 0.00 H new ATOM 0 HH21 ARG B 65 25.552 -8.442 -1.335 1.00 0.00 H new ATOM 0 HH22 ARG B 65 24.243 -9.046 -2.358 1.00 0.00 H new ATOM 950 N ASP B 66 22.663 0.257 -2.927 1.00 0.00 N ATOM 951 CA ASP B 66 22.545 1.589 -3.506 1.00 0.00 C ATOM 952 C ASP B 66 21.938 2.573 -2.513 1.00 0.00 C ATOM 953 O ASP B 66 22.261 3.760 -2.537 1.00 0.00 O ATOM 954 CB ASP B 66 21.690 1.521 -4.772 1.00 0.00 C ATOM 955 CG ASP B 66 22.341 0.684 -5.875 1.00 0.00 C ATOM 956 OD1 ASP B 66 23.497 0.242 -5.678 1.00 0.00 O ATOM 957 OD2 ASP B 66 21.667 0.491 -6.913 1.00 0.00 O ATOM 0 H ASP B 66 21.925 -0.388 -3.208 1.00 0.00 H new ATOM 0 HA ASP B 66 23.544 1.946 -3.758 1.00 0.00 H new ATOM 0 HB2 ASP B 66 20.716 1.098 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP B 66 21.514 2.531 -5.143 1.00 0.00 H new ATOM 962 N ALA B 67 21.062 2.081 -1.637 1.00 0.00 N ATOM 963 CA ALA B 67 20.425 2.914 -0.634 1.00 0.00 C ATOM 964 C ALA B 67 21.426 3.307 0.449 1.00 0.00 C ATOM 965 O ALA B 67 21.380 4.427 0.951 1.00 0.00 O ATOM 966 CB ALA B 67 19.251 2.147 -0.028 1.00 0.00 C ATOM 0 H ALA B 67 20.780 1.101 -1.607 1.00 0.00 H new ATOM 0 HA ALA B 67 20.060 3.830 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA B 67 18.765 2.764 0.728 1.00 0.00 H new ATOM 0 HB2 ALA B 67 18.534 1.900 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA B 67 19.615 1.229 0.433 1.00 0.00 H new ATOM 972 N GLU B 68 22.331 2.396 0.803 1.00 0.00 N ATOM 973 CA GLU B 68 23.327 2.665 1.827 1.00 0.00 C ATOM 974 C GLU B 68 24.321 3.717 1.339 1.00 0.00 C ATOM 975 O GLU B 68 24.801 4.527 2.131 1.00 0.00 O ATOM 976 CB GLU B 68 24.036 1.353 2.188 1.00 0.00 C ATOM 977 CG GLU B 68 25.187 1.570 3.175 1.00 0.00 C ATOM 978 CD GLU B 68 24.712 2.072 4.542 1.00 0.00 C ATOM 979 OE1 GLU B 68 25.596 2.357 5.380 1.00 0.00 O ATOM 980 OE2 GLU B 68 23.481 2.166 4.743 1.00 0.00 O ATOM 0 H GLU B 68 22.391 1.464 0.392 1.00 0.00 H new ATOM 0 HA GLU B 68 22.843 3.062 2.719 1.00 0.00 H new ATOM 0 HB2 GLU B 68 23.315 0.659 2.620 1.00 0.00 H new ATOM 0 HB3 GLU B 68 24.421 0.888 1.280 1.00 0.00 H new ATOM 0 HG2 GLU B 68 25.729 0.633 3.306 1.00 0.00 H new ATOM 0 HG3 GLU B 68 25.890 2.289 2.754 1.00 0.00 H new ATOM 987 N ASP B 69 24.626 3.711 0.042 1.00 0.00 N ATOM 988 CA ASP B 69 25.577 4.648 -0.538 1.00 0.00 C ATOM 989 C ASP B 69 25.035 6.072 -0.630 1.00 0.00 C ATOM 990 O ASP B 69 25.786 7.029 -0.459 1.00 0.00 O ATOM 991 CB ASP B 69 26.036 4.147 -1.909 1.00 0.00 C ATOM 992 CG ASP B 69 26.979 2.945 -1.809 1.00 0.00 C ATOM 993 OD1 ASP B 69 27.370 2.444 -2.887 1.00 0.00 O ATOM 994 OD2 ASP B 69 27.305 2.540 -0.671 1.00 0.00 O ATOM 0 H ASP B 69 24.221 3.059 -0.630 1.00 0.00 H new ATOM 0 HA ASP B 69 26.433 4.694 0.136 1.00 0.00 H new ATOM 0 HB2 ASP B 69 25.164 3.872 -2.502 1.00 0.00 H new ATOM 0 HB3 ASP B 69 26.539 4.956 -2.438 1.00 0.00 H new ATOM 999 N ALA B 70 23.733 6.218 -0.896 1.00 0.00 N ATOM 1000 CA ALA B 70 23.108 7.528 -0.975 1.00 0.00 C ATOM 1001 C ALA B 70 22.993 8.136 0.422 1.00 0.00 C ATOM 1002 O ALA B 70 23.020 9.357 0.569 1.00 0.00 O ATOM 1003 CB ALA B 70 21.730 7.388 -1.619 1.00 0.00 C ATOM 0 H ALA B 70 23.096 5.438 -1.060 1.00 0.00 H new ATOM 0 HA ALA B 70 23.719 8.192 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.256 8.368 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA B 70 21.837 6.973 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.112 6.724 -1.015 1.00 0.00 H new ATOM 1009 N VAL B 71 22.865 7.286 1.447 1.00 0.00 N ATOM 1010 CA VAL B 71 22.736 7.743 2.820 1.00 0.00 C ATOM 1011 C VAL B 71 24.103 8.211 3.314 1.00 0.00 C ATOM 1012 O VAL B 71 24.225 9.317 3.834 1.00 0.00 O ATOM 1013 CB VAL B 71 22.203 6.590 3.687 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.383 6.881 5.179 1.00 0.00 C ATOM 1015 CG2 VAL B 71 20.714 6.385 3.401 1.00 0.00 C ATOM 0 H VAL B 71 22.849 6.272 1.342 1.00 0.00 H new ATOM 0 HA VAL B 71 22.036 8.576 2.884 1.00 0.00 H new ATOM 0 HB VAL B 71 22.770 5.693 3.438 1.00 0.00 H new ATOM 0 HG11 VAL B 71 21.996 6.045 5.762 1.00 0.00 H new ATOM 0 HG12 VAL B 71 23.442 7.016 5.398 1.00 0.00 H new ATOM 0 HG13 VAL B 71 21.840 7.789 5.441 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.335 5.568 4.015 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.169 7.299 3.637 1.00 0.00 H new ATOM 0 HG23 VAL B 71 20.576 6.142 2.348 1.00 0.00 H new ATOM 1025 N SER B 72 25.137 7.383 3.153 1.00 0.00 N ATOM 1026 CA SER B 72 26.463 7.711 3.661 1.00 0.00 C ATOM 1027 C SER B 72 27.138 8.796 2.819 1.00 0.00 C ATOM 1028 O SER B 72 28.180 9.324 3.214 1.00 0.00 O ATOM 1029 CB SER B 72 27.328 6.448 3.678 1.00 0.00 C ATOM 1030 OG SER B 72 27.587 6.025 2.359 1.00 0.00 O ATOM 0 H SER B 72 25.078 6.484 2.676 1.00 0.00 H new ATOM 0 HA SER B 72 26.353 8.100 4.673 1.00 0.00 H new ATOM 0 HB2 SER B 72 28.266 6.646 4.196 1.00 0.00 H new ATOM 0 HB3 SER B 72 26.820 5.657 4.230 1.00 0.00 H new ATOM 0 HG SER B 72 26.881 5.411 2.068 1.00 0.00 H new ATOM 1036 N GLY B 73 26.557 9.133 1.662 1.00 0.00 N ATOM 1037 CA GLY B 73 27.187 10.049 0.723 1.00 0.00 C ATOM 1038 C GLY B 73 26.661 11.481 0.827 1.00 0.00 C ATOM 1039 O GLY B 73 27.248 12.382 0.224 1.00 0.00 O ATOM 0 H GLY B 73 25.649 8.780 1.359 1.00 0.00 H new ATOM 0 HA2 GLY B 73 28.263 10.052 0.896 1.00 0.00 H new ATOM 0 HA3 GLY B 73 27.028 9.684 -0.292 1.00 0.00 H new ATOM 1043 N ARG B 74 25.574 11.722 1.572 1.00 0.00 N ATOM 1044 CA ARG B 74 24.963 13.047 1.585 1.00 0.00 C ATOM 1045 C ARG B 74 24.244 13.366 2.896 1.00 0.00 C ATOM 1046 O ARG B 74 23.896 14.519 3.132 1.00 0.00 O ATOM 1047 CB ARG B 74 24.004 13.145 0.385 1.00 0.00 C ATOM 1048 CG ARG B 74 23.355 14.528 0.239 1.00 0.00 C ATOM 1049 CD ARG B 74 24.407 15.635 0.122 1.00 0.00 C ATOM 1050 NE ARG B 74 25.291 15.410 -1.030 1.00 0.00 N ATOM 1051 CZ ARG B 74 26.604 15.669 -1.034 1.00 0.00 C ATOM 1052 NH1 ARG B 74 27.201 16.185 0.040 1.00 0.00 N ATOM 1053 NH2 ARG B 74 27.327 15.413 -2.120 1.00 0.00 N ATOM 0 H ARG B 74 25.111 11.029 2.160 1.00 0.00 H new ATOM 0 HA ARG B 74 25.754 13.793 1.504 1.00 0.00 H new ATOM 0 HB2 ARG B 74 24.550 12.909 -0.528 1.00 0.00 H new ATOM 0 HB3 ARG B 74 23.222 12.393 0.491 1.00 0.00 H new ATOM 0 HG2 ARG B 74 22.715 14.539 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG B 74 22.715 14.723 1.100 1.00 0.00 H new ATOM 0 HD2 ARG B 74 23.912 16.601 0.021 1.00 0.00 H new ATOM 0 HD3 ARG B 74 25.000 15.675 1.036 1.00 0.00 H new ATOM 0 HE ARG B 74 24.877 15.032 -1.882 1.00 0.00 H new ATOM 0 HH11 ARG B 74 26.656 16.387 0.878 1.00 0.00 H new ATOM 0 HH12 ARG B 74 28.203 16.378 0.024 1.00 0.00 H new ATOM 0 HH21 ARG B 74 26.881 15.020 -2.949 1.00 0.00 H new ATOM 0 HH22 ARG B 74 28.328 15.610 -2.124 1.00 0.00 H new ATOM 1067 N ASP B 75 24.012 12.368 3.753 1.00 0.00 N ATOM 1068 CA ASP B 75 23.275 12.595 4.989 1.00 0.00 C ATOM 1069 C ASP B 75 24.080 13.501 5.924 1.00 0.00 C ATOM 1070 O ASP B 75 25.307 13.413 5.979 1.00 0.00 O ATOM 1071 CB ASP B 75 23.005 11.262 5.684 1.00 0.00 C ATOM 1072 CG ASP B 75 22.106 11.426 6.906 1.00 0.00 C ATOM 1073 OD1 ASP B 75 22.221 10.576 7.818 1.00 0.00 O ATOM 1074 OD2 ASP B 75 21.314 12.396 6.918 1.00 0.00 O ATOM 0 H ASP B 75 24.322 11.406 3.612 1.00 0.00 H new ATOM 0 HA ASP B 75 22.328 13.079 4.748 1.00 0.00 H new ATOM 0 HB2 ASP B 75 22.537 10.574 4.980 1.00 0.00 H new ATOM 0 HB3 ASP B 75 23.951 10.813 5.987 1.00 0.00 H new ATOM 1079 N GLY B 76 23.385 14.371 6.659 1.00 0.00 N ATOM 1080 CA GLY B 76 24.003 15.195 7.687 1.00 0.00 C ATOM 1081 C GLY B 76 25.086 16.104 7.111 1.00 0.00 C ATOM 1082 O GLY B 76 26.130 16.280 7.735 1.00 0.00 O ATOM 0 H GLY B 76 22.381 14.520 6.555 1.00 0.00 H new ATOM 0 HA2 GLY B 76 23.240 15.802 8.173 1.00 0.00 H new ATOM 0 HA3 GLY B 76 24.437 14.554 8.454 1.00 0.00 H new ATOM 1086 N TYR B 77 24.852 16.678 5.928 1.00 0.00 N ATOM 1087 CA TYR B 77 25.864 17.447 5.229 1.00 0.00 C ATOM 1088 C TYR B 77 25.720 18.950 5.409 1.00 0.00 C ATOM 1089 O TYR B 77 24.623 19.491 5.287 1.00 0.00 O ATOM 1090 CB TYR B 77 25.970 17.015 3.763 1.00 0.00 C ATOM 1091 CG TYR B 77 26.722 17.985 2.880 1.00 0.00 C ATOM 1092 CD1 TYR B 77 28.120 18.056 2.957 1.00 0.00 C ATOM 1093 CD2 TYR B 77 26.020 18.806 1.987 1.00 0.00 C ATOM 1094 CE1 TYR B 77 28.820 18.951 2.138 1.00 0.00 C ATOM 1095 CE2 TYR B 77 26.714 19.703 1.163 1.00 0.00 C ATOM 1096 CZ TYR B 77 28.119 19.779 1.236 1.00 0.00 C ATOM 1097 OH TYR B 77 28.799 20.644 0.434 1.00 0.00 O ATOM 0 H TYR B 77 23.960 16.619 5.437 1.00 0.00 H new ATOM 0 HA TYR B 77 26.819 17.214 5.700 1.00 0.00 H new ATOM 0 HB2 TYR B 77 26.463 16.044 3.718 1.00 0.00 H new ATOM 0 HB3 TYR B 77 24.965 16.882 3.362 1.00 0.00 H new ATOM 0 HD1 TYR B 77 28.656 17.421 3.647 1.00 0.00 H new ATOM 0 HD2 TYR B 77 24.943 18.748 1.934 1.00 0.00 H new ATOM 0 HE1 TYR B 77 29.897 19.007 2.197 1.00 0.00 H new ATOM 0 HE2 TYR B 77 26.173 20.334 0.474 1.00 0.00 H new ATOM 0 HH TYR B 77 28.165 21.138 -0.127 1.00 0.00 H new ATOM 1107 N ASP B 78 26.835 19.616 5.705 1.00 0.00 N ATOM 1108 CA ASP B 78 26.875 21.046 5.948 1.00 0.00 C ATOM 1109 C ASP B 78 26.441 21.857 4.725 1.00 0.00 C ATOM 1110 O ASP B 78 27.190 21.972 3.753 1.00 0.00 O ATOM 1111 CB ASP B 78 28.271 21.443 6.446 1.00 0.00 C ATOM 1112 CG ASP B 78 28.478 22.957 6.477 1.00 0.00 C ATOM 1113 OD1 ASP B 78 29.657 23.367 6.394 1.00 0.00 O ATOM 1114 OD2 ASP B 78 27.467 23.685 6.589 1.00 0.00 O ATOM 0 H ASP B 78 27.747 19.165 5.782 1.00 0.00 H new ATOM 0 HA ASP B 78 26.150 21.284 6.726 1.00 0.00 H new ATOM 0 HB2 ASP B 78 28.424 21.039 7.447 1.00 0.00 H new ATOM 0 HB3 ASP B 78 29.024 20.991 5.801 1.00 0.00 H new ATOM 1119 N TYR B 79 25.232 22.412 4.783 1.00 0.00 N ATOM 1120 CA TYR B 79 24.673 23.244 3.732 1.00 0.00 C ATOM 1121 C TYR B 79 24.549 24.699 4.180 1.00 0.00 C ATOM 1122 O TYR B 79 24.725 25.003 5.358 1.00 0.00 O ATOM 1123 CB TYR B 79 23.341 22.645 3.270 1.00 0.00 C ATOM 1124 CG TYR B 79 22.565 23.485 2.282 1.00 0.00 C ATOM 1125 CD1 TYR B 79 21.655 24.445 2.749 1.00 0.00 C ATOM 1126 CD2 TYR B 79 22.749 23.297 0.906 1.00 0.00 C ATOM 1127 CE1 TYR B 79 20.919 25.218 1.841 1.00 0.00 C ATOM 1128 CE2 TYR B 79 22.017 24.068 -0.011 1.00 0.00 C ATOM 1129 CZ TYR B 79 21.101 25.036 0.453 1.00 0.00 C ATOM 1130 OH TYR B 79 20.389 25.787 -0.431 1.00 0.00 O ATOM 0 H TYR B 79 24.606 22.291 5.579 1.00 0.00 H new ATOM 0 HA TYR B 79 25.349 23.258 2.877 1.00 0.00 H new ATOM 0 HB2 TYR B 79 23.536 21.671 2.820 1.00 0.00 H new ATOM 0 HB3 TYR B 79 22.715 22.473 4.146 1.00 0.00 H new ATOM 0 HD1 TYR B 79 21.521 24.589 3.811 1.00 0.00 H new ATOM 0 HD2 TYR B 79 23.453 22.559 0.551 1.00 0.00 H new ATOM 0 HE1 TYR B 79 20.214 25.952 2.202 1.00 0.00 H new ATOM 0 HE2 TYR B 79 22.155 23.920 -1.072 1.00 0.00 H new ATOM 0 HH TYR B 79 20.635 25.536 -1.346 1.00 0.00 H new ATOM 1140 N ASP B 80 24.245 25.601 3.246 1.00 0.00 N ATOM 1141 CA ASP B 80 24.110 27.017 3.549 1.00 0.00 C ATOM 1142 C ASP B 80 22.994 27.293 4.564 1.00 0.00 C ATOM 1143 O ASP B 80 21.824 27.370 4.196 1.00 0.00 O ATOM 1144 CB ASP B 80 23.908 27.808 2.252 1.00 0.00 C ATOM 1145 CG ASP B 80 23.556 29.275 2.510 1.00 0.00 C ATOM 1146 OD1 ASP B 80 22.993 29.897 1.580 1.00 0.00 O ATOM 1147 OD2 ASP B 80 23.853 29.761 3.624 1.00 0.00 O ATOM 0 H ASP B 80 24.087 25.368 2.266 1.00 0.00 H new ATOM 0 HA ASP B 80 25.033 27.351 4.022 1.00 0.00 H new ATOM 0 HB2 ASP B 80 24.817 27.756 1.653 1.00 0.00 H new ATOM 0 HB3 ASP B 80 23.114 27.344 1.667 1.00 0.00 H new ATOM 1152 N GLY B 81 23.366 27.436 5.839 1.00 0.00 N ATOM 1153 CA GLY B 81 22.429 27.751 6.912 1.00 0.00 C ATOM 1154 C GLY B 81 21.666 26.522 7.410 1.00 0.00 C ATOM 1155 O GLY B 81 20.899 26.634 8.365 1.00 0.00 O ATOM 0 H GLY B 81 24.331 27.335 6.154 1.00 0.00 H new ATOM 0 HA2 GLY B 81 22.973 28.198 7.744 1.00 0.00 H new ATOM 0 HA3 GLY B 81 21.717 28.497 6.560 1.00 0.00 H new ATOM 1159 N TYR B 82 21.865 25.358 6.781 1.00 0.00 N ATOM 1160 CA TYR B 82 21.155 24.136 7.148 1.00 0.00 C ATOM 1161 C TYR B 82 22.036 22.886 7.052 1.00 0.00 C ATOM 1162 O TYR B 82 23.246 22.985 6.858 1.00 0.00 O ATOM 1163 CB TYR B 82 19.894 23.990 6.290 1.00 0.00 C ATOM 1164 CG TYR B 82 18.863 25.071 6.523 1.00 0.00 C ATOM 1165 CD1 TYR B 82 18.947 26.276 5.814 1.00 0.00 C ATOM 1166 CD2 TYR B 82 17.826 24.867 7.441 1.00 0.00 C ATOM 1167 CE1 TYR B 82 17.991 27.284 6.018 1.00 0.00 C ATOM 1168 CE2 TYR B 82 16.866 25.870 7.651 1.00 0.00 C ATOM 1169 CZ TYR B 82 16.946 27.083 6.939 1.00 0.00 C ATOM 1170 OH TYR B 82 16.015 28.058 7.139 1.00 0.00 O ATOM 0 H TYR B 82 22.520 25.241 6.008 1.00 0.00 H new ATOM 0 HA TYR B 82 20.869 24.225 8.196 1.00 0.00 H new ATOM 0 HB2 TYR B 82 20.180 23.996 5.238 1.00 0.00 H new ATOM 0 HB3 TYR B 82 19.440 23.020 6.492 1.00 0.00 H new ATOM 0 HD1 TYR B 82 19.750 26.430 5.108 1.00 0.00 H new ATOM 0 HD2 TYR B 82 17.764 23.938 7.988 1.00 0.00 H new ATOM 0 HE1 TYR B 82 18.057 28.212 5.469 1.00 0.00 H new ATOM 0 HE2 TYR B 82 16.066 25.711 8.359 1.00 0.00 H new ATOM 0 HH TYR B 82 15.364 27.756 7.806 1.00 0.00 H new ATOM 1180 N ARG B 83 21.423 21.706 7.183 1.00 0.00 N ATOM 1181 CA ARG B 83 22.122 20.428 7.139 1.00 0.00 C ATOM 1182 C ARG B 83 21.222 19.384 6.489 1.00 0.00 C ATOM 1183 O ARG B 83 20.059 19.242 6.866 1.00 0.00 O ATOM 1184 CB ARG B 83 22.529 20.044 8.566 1.00 0.00 C ATOM 1185 CG ARG B 83 23.366 18.769 8.576 1.00 0.00 C ATOM 1186 CD ARG B 83 23.908 18.539 9.988 1.00 0.00 C ATOM 1187 NE ARG B 83 24.790 17.368 10.038 1.00 0.00 N ATOM 1188 CZ ARG B 83 24.725 16.409 10.969 1.00 0.00 C ATOM 1189 NH1 ARG B 83 23.826 16.467 11.951 1.00 0.00 N ATOM 1190 NH2 ARG B 83 25.567 15.382 10.919 1.00 0.00 N ATOM 0 H ARG B 83 20.417 21.615 7.324 1.00 0.00 H new ATOM 0 HA ARG B 83 23.028 20.494 6.537 1.00 0.00 H new ATOM 0 HB2 ARG B 83 23.096 20.858 9.017 1.00 0.00 H new ATOM 0 HB3 ARG B 83 21.637 19.901 9.176 1.00 0.00 H new ATOM 0 HG2 ARG B 83 22.760 17.919 8.262 1.00 0.00 H new ATOM 0 HG3 ARG B 83 24.189 18.853 7.866 1.00 0.00 H new ATOM 0 HD2 ARG B 83 24.454 19.422 10.318 1.00 0.00 H new ATOM 0 HD3 ARG B 83 23.077 18.401 10.680 1.00 0.00 H new ATOM 0 HE ARG B 83 25.502 17.279 9.313 1.00 0.00 H new ATOM 0 HH11 ARG B 83 23.175 17.250 12.001 1.00 0.00 H new ATOM 0 HH12 ARG B 83 23.789 15.728 12.653 1.00 0.00 H new ATOM 0 HH21 ARG B 83 26.260 15.327 10.173 1.00 0.00 H new ATOM 0 HH22 ARG B 83 25.520 14.649 11.627 1.00 0.00 H new ATOM 1204 N LEU B 84 21.764 18.661 5.509 1.00 0.00 N ATOM 1205 CA LEU B 84 21.001 17.715 4.708 1.00 0.00 C ATOM 1206 C LEU B 84 20.469 16.571 5.568 1.00 0.00 C ATOM 1207 O LEU B 84 21.056 16.233 6.593 1.00 0.00 O ATOM 1208 CB LEU B 84 21.896 17.145 3.598 1.00 0.00 C ATOM 1209 CG LEU B 84 21.914 18.001 2.324 1.00 0.00 C ATOM 1210 CD1 LEU B 84 20.561 17.934 1.621 1.00 0.00 C ATOM 1211 CD2 LEU B 84 22.263 19.456 2.623 1.00 0.00 C ATOM 0 H LEU B 84 22.749 18.718 5.251 1.00 0.00 H new ATOM 0 HA LEU B 84 20.152 18.241 4.271 1.00 0.00 H new ATOM 0 HB2 LEU B 84 22.914 17.050 3.976 1.00 0.00 H new ATOM 0 HB3 LEU B 84 21.554 16.141 3.347 1.00 0.00 H new ATOM 0 HG LEU B 84 22.687 17.595 1.671 1.00 0.00 H new ATOM 0 HD11 LEU B 84 20.589 18.546 0.719 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.342 16.901 1.352 1.00 0.00 H new ATOM 0 HD13 LEU B 84 19.785 18.307 2.289 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.265 20.028 1.695 1.00 0.00 H new ATOM 0 HD22 LEU B 84 21.523 19.875 3.306 1.00 0.00 H new ATOM 0 HD23 LEU B 84 23.250 19.506 3.082 1.00 0.00 H new ATOM 1223 N ARG B 85 19.351 15.982 5.131 1.00 0.00 N ATOM 1224 CA ARG B 85 18.782 14.792 5.746 1.00 0.00 C ATOM 1225 C ARG B 85 18.618 13.719 4.678 1.00 0.00 C ATOM 1226 O ARG B 85 17.869 13.912 3.727 1.00 0.00 O ATOM 1227 CB ARG B 85 17.428 15.143 6.375 1.00 0.00 C ATOM 1228 CG ARG B 85 17.556 16.199 7.477 1.00 0.00 C ATOM 1229 CD ARG B 85 18.244 15.622 8.716 1.00 0.00 C ATOM 1230 NE ARG B 85 17.462 14.526 9.305 1.00 0.00 N ATOM 1231 CZ ARG B 85 16.323 14.700 9.983 1.00 0.00 C ATOM 1232 NH1 ARG B 85 15.837 15.921 10.194 1.00 0.00 N ATOM 1233 NH2 ARG B 85 15.667 13.647 10.453 1.00 0.00 N ATOM 0 H ARG B 85 18.816 16.325 4.333 1.00 0.00 H new ATOM 0 HA ARG B 85 19.440 14.417 6.530 1.00 0.00 H new ATOM 0 HB2 ARG B 85 16.754 15.509 5.601 1.00 0.00 H new ATOM 0 HB3 ARG B 85 16.978 14.241 6.789 1.00 0.00 H new ATOM 0 HG2 ARG B 85 18.125 17.051 7.105 1.00 0.00 H new ATOM 0 HG3 ARG B 85 16.567 16.570 7.746 1.00 0.00 H new ATOM 0 HD2 ARG B 85 19.236 15.259 8.447 1.00 0.00 H new ATOM 0 HD3 ARG B 85 18.383 16.410 9.456 1.00 0.00 H new ATOM 0 HE ARG B 85 17.810 13.574 9.189 1.00 0.00 H new ATOM 0 HH11 ARG B 85 16.335 16.737 9.837 1.00 0.00 H new ATOM 0 HH12 ARG B 85 14.967 16.041 10.713 1.00 0.00 H new ATOM 0 HH21 ARG B 85 16.032 12.707 10.297 1.00 0.00 H new ATOM 0 HH22 ARG B 85 14.798 13.777 10.971 1.00 0.00 H new ATOM 1247 N VAL B 86 19.321 12.595 4.840 1.00 0.00 N ATOM 1248 CA VAL B 86 19.231 11.467 3.917 1.00 0.00 C ATOM 1249 C VAL B 86 19.374 10.154 4.674 1.00 0.00 C ATOM 1250 O VAL B 86 20.450 9.564 4.714 1.00 0.00 O ATOM 1251 CB VAL B 86 20.282 11.583 2.800 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.019 10.519 1.732 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.253 12.959 2.136 1.00 0.00 C ATOM 0 H VAL B 86 19.967 12.444 5.615 1.00 0.00 H new ATOM 0 HA VAL B 86 18.249 11.484 3.445 1.00 0.00 H new ATOM 0 HB VAL B 86 21.262 11.438 3.255 1.00 0.00 H new ATOM 0 HG11 VAL B 86 20.765 10.604 0.942 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.079 9.528 2.183 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.025 10.666 1.309 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.010 13.001 1.353 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.269 13.132 1.700 1.00 0.00 H new ATOM 0 HG23 VAL B 86 20.459 13.727 2.881 1.00 0.00 H new ATOM 1263 N GLU B 87 18.282 9.692 5.284 1.00 0.00 N ATOM 1264 CA GLU B 87 18.301 8.502 6.125 1.00 0.00 C ATOM 1265 C GLU B 87 17.023 7.690 5.954 1.00 0.00 C ATOM 1266 O GLU B 87 16.059 8.159 5.356 1.00 0.00 O ATOM 1267 CB GLU B 87 18.488 8.923 7.585 1.00 0.00 C ATOM 1268 CG GLU B 87 17.327 9.815 8.036 1.00 0.00 C ATOM 1269 CD GLU B 87 17.471 10.279 9.484 1.00 0.00 C ATOM 1270 OE1 GLU B 87 18.408 9.805 10.166 1.00 0.00 O ATOM 1271 OE2 GLU B 87 16.637 11.115 9.894 1.00 0.00 O ATOM 0 H GLU B 87 17.365 10.132 5.208 1.00 0.00 H new ATOM 0 HA GLU B 87 19.133 7.865 5.824 1.00 0.00 H new ATOM 0 HB2 GLU B 87 18.544 8.039 8.221 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.431 9.458 7.698 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.268 10.686 7.383 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.390 9.269 7.925 1.00 0.00 H new ATOM 1278 N PHE B 88 17.015 6.465 6.483 1.00 0.00 N ATOM 1279 CA PHE B 88 15.855 5.588 6.409 1.00 0.00 C ATOM 1280 C PHE B 88 14.635 6.104 7.178 1.00 0.00 C ATOM 1281 O PHE B 88 14.792 6.823 8.165 1.00 0.00 O ATOM 1282 CB PHE B 88 16.235 4.168 6.836 1.00 0.00 C ATOM 1283 CG PHE B 88 17.021 3.399 5.792 1.00 0.00 C ATOM 1284 CD1 PHE B 88 18.399 3.618 5.649 1.00 0.00 C ATOM 1285 CD2 PHE B 88 16.373 2.459 4.972 1.00 0.00 C ATOM 1286 CE1 PHE B 88 19.126 2.904 4.688 1.00 0.00 C ATOM 1287 CE2 PHE B 88 17.102 1.741 4.015 1.00 0.00 C ATOM 1288 CZ PHE B 88 18.480 1.967 3.871 1.00 0.00 C ATOM 0 H PHE B 88 17.812 6.058 6.972 1.00 0.00 H new ATOM 0 HA PHE B 88 15.543 5.574 5.365 1.00 0.00 H new ATOM 0 HB2 PHE B 88 16.823 4.220 7.753 1.00 0.00 H new ATOM 0 HB3 PHE B 88 15.326 3.615 7.071 1.00 0.00 H new ATOM 0 HD1 PHE B 88 18.900 4.337 6.280 1.00 0.00 H new ATOM 0 HD2 PHE B 88 15.312 2.290 5.080 1.00 0.00 H new ATOM 0 HE1 PHE B 88 20.186 3.076 4.577 1.00 0.00 H new ATOM 0 HE2 PHE B 88 16.605 1.015 3.389 1.00 0.00 H new ATOM 0 HZ PHE B 88 19.042 1.418 3.130 1.00 0.00 H new ATOM 1298 N PRO B 89 13.420 5.741 6.739 1.00 0.00 N ATOM 1299 CA PRO B 89 12.184 6.077 7.414 1.00 0.00 C ATOM 1300 C PRO B 89 12.080 5.340 8.753 1.00 0.00 C ATOM 1301 O PRO B 89 11.501 5.932 9.686 1.00 0.00 O ATOM 1302 CB PRO B 89 11.064 5.654 6.459 1.00 0.00 C ATOM 1303 CG PRO B 89 11.698 4.550 5.618 1.00 0.00 C ATOM 1304 CD PRO B 89 13.170 4.961 5.545 1.00 0.00 C ATOM 0 HA PRO B 89 12.125 7.140 7.646 1.00 0.00 H new ATOM 0 HB2 PRO B 89 10.191 5.292 7.002 1.00 0.00 H new ATOM 0 HB3 PRO B 89 10.731 6.487 5.840 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.577 3.571 6.082 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.248 4.491 4.627 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.819 4.086 5.506 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.369 5.546 4.647 1.00 0.00 H new