USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 16 CYS SG : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 ASN :FLIP amide:sc= -0.694 F(o=-3.1,f=-0.69) USER MOD Single : B 30 LYS NZ :NH3+ -164:sc= 1.25 (180deg=1.13) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -127:sc= 0.747 (180deg=-0.199) USER MOD Single : B 49 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.15) USER MOD Single : B 72 SER OG : rot -21:sc= 0.0818 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 14.536 -1.230 0.361 1.00 0.00 N ATOM 139 CA CYS B 16 15.658 -0.468 -0.160 1.00 0.00 C ATOM 140 C CYS B 16 15.302 1.020 -0.242 1.00 0.00 C ATOM 141 O CYS B 16 16.119 1.836 -0.669 1.00 0.00 O ATOM 142 CB CYS B 16 16.040 -1.006 -1.539 1.00 0.00 C ATOM 143 SG CYS B 16 16.523 -2.745 -1.389 1.00 0.00 S ATOM 0 HA CYS B 16 16.509 -0.575 0.513 1.00 0.00 H new ATOM 0 HB2 CYS B 16 15.200 -0.908 -2.226 1.00 0.00 H new ATOM 0 HB3 CYS B 16 16.862 -0.423 -1.955 1.00 0.00 H new ATOM 0 HG CYS B 16 16.847 -3.208 -2.560 1.00 0.00 H new ATOM 149 N ARG B 17 14.077 1.369 0.165 1.00 0.00 N ATOM 150 CA ARG B 17 13.576 2.730 0.122 1.00 0.00 C ATOM 151 C ARG B 17 14.135 3.541 1.293 1.00 0.00 C ATOM 152 O ARG B 17 14.334 3.004 2.382 1.00 0.00 O ATOM 153 CB ARG B 17 12.048 2.668 0.154 1.00 0.00 C ATOM 154 CG ARG B 17 11.439 4.033 -0.163 1.00 0.00 C ATOM 155 CD ARG B 17 9.911 3.953 -0.138 1.00 0.00 C ATOM 156 NE ARG B 17 9.407 3.001 -1.132 1.00 0.00 N ATOM 157 CZ ARG B 17 8.877 1.807 -0.840 1.00 0.00 C ATOM 158 NH1 ARG B 17 8.765 1.395 0.423 1.00 0.00 N ATOM 159 NH2 ARG B 17 8.456 1.016 -1.820 1.00 0.00 N ATOM 0 H ARG B 17 13.404 0.699 0.537 1.00 0.00 H new ATOM 0 HA ARG B 17 13.898 3.232 -0.790 1.00 0.00 H new ATOM 0 HB2 ARG B 17 11.695 1.932 -0.568 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.714 2.336 1.137 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.783 4.770 0.563 1.00 0.00 H new ATOM 0 HG3 ARG B 17 11.776 4.370 -1.143 1.00 0.00 H new ATOM 0 HD2 ARG B 17 9.577 3.654 0.856 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.491 4.940 -0.332 1.00 0.00 H new ATOM 0 HE ARG B 17 9.464 3.267 -2.115 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.086 1.993 1.185 1.00 0.00 H new ATOM 0 HH12 ARG B 17 8.359 0.482 0.628 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.537 1.319 -2.791 1.00 0.00 H new ATOM 0 HH22 ARG B 17 8.051 0.105 -1.602 1.00 0.00 H new ATOM 173 N ILE B 18 14.385 4.835 1.066 1.00 0.00 N ATOM 174 CA ILE B 18 14.966 5.716 2.078 1.00 0.00 C ATOM 175 C ILE B 18 14.353 7.115 2.001 1.00 0.00 C ATOM 176 O ILE B 18 13.585 7.423 1.090 1.00 0.00 O ATOM 177 CB ILE B 18 16.491 5.792 1.898 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.852 6.531 0.602 1.00 0.00 C ATOM 179 CG2 ILE B 18 17.115 4.398 1.917 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.356 6.771 0.513 1.00 0.00 C ATOM 0 H ILE B 18 14.190 5.297 0.178 1.00 0.00 H new ATOM 0 HA ILE B 18 14.744 5.302 3.062 1.00 0.00 H new ATOM 0 HB ILE B 18 16.899 6.356 2.737 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.521 5.948 -0.258 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.325 7.484 0.563 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.194 4.481 1.788 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.900 3.916 2.871 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.697 3.801 1.106 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.586 7.296 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.679 7.374 1.362 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.879 5.815 0.528 1.00 0.00 H new ATOM 192 N TYR B 19 14.712 7.949 2.981 1.00 0.00 N ATOM 193 CA TYR B 19 14.225 9.312 3.135 1.00 0.00 C ATOM 194 C TYR B 19 15.282 10.374 2.850 1.00 0.00 C ATOM 195 O TYR B 19 16.479 10.117 2.998 1.00 0.00 O ATOM 196 CB TYR B 19 13.578 9.488 4.515 1.00 0.00 C ATOM 197 CG TYR B 19 13.854 10.819 5.178 1.00 0.00 C ATOM 198 CD1 TYR B 19 15.009 10.974 5.954 1.00 0.00 C ATOM 199 CD2 TYR B 19 12.961 11.893 5.025 1.00 0.00 C ATOM 200 CE1 TYR B 19 15.277 12.194 6.586 1.00 0.00 C ATOM 201 CE2 TYR B 19 13.222 13.119 5.655 1.00 0.00 C ATOM 202 CZ TYR B 19 14.387 13.276 6.435 1.00 0.00 C ATOM 203 OH TYR B 19 14.651 14.464 7.045 1.00 0.00 O ATOM 0 H TYR B 19 15.372 7.680 3.711 1.00 0.00 H new ATOM 0 HA TYR B 19 13.463 9.470 2.372 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.500 9.365 4.414 1.00 0.00 H new ATOM 0 HB3 TYR B 19 13.930 8.691 5.170 1.00 0.00 H new ATOM 0 HD1 TYR B 19 15.696 10.148 6.066 1.00 0.00 H new ATOM 0 HD2 TYR B 19 12.073 11.775 4.422 1.00 0.00 H new ATOM 0 HE1 TYR B 19 16.166 12.306 7.189 1.00 0.00 H new ATOM 0 HE2 TYR B 19 12.532 13.942 5.543 1.00 0.00 H new ATOM 0 HH TYR B 19 13.938 15.104 6.838 1.00 0.00 H new ATOM 213 N VAL B 20 14.832 11.564 2.445 1.00 0.00 N ATOM 214 CA VAL B 20 15.704 12.692 2.151 1.00 0.00 C ATOM 215 C VAL B 20 15.128 13.985 2.728 1.00 0.00 C ATOM 216 O VAL B 20 13.918 14.209 2.664 1.00 0.00 O ATOM 217 CB VAL B 20 15.933 12.811 0.638 1.00 0.00 C ATOM 218 CG1 VAL B 20 16.993 13.881 0.356 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.396 11.482 0.048 1.00 0.00 C ATOM 0 H VAL B 20 13.842 11.768 2.312 1.00 0.00 H new ATOM 0 HA VAL B 20 16.670 12.518 2.626 1.00 0.00 H new ATOM 0 HB VAL B 20 14.987 13.091 0.174 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.152 13.961 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.654 14.841 0.745 1.00 0.00 H new ATOM 0 HG13 VAL B 20 17.929 13.603 0.841 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.551 11.595 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.331 11.181 0.520 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.637 10.720 0.227 1.00 0.00 H new ATOM 229 N GLY B 21 15.990 14.839 3.289 1.00 0.00 N ATOM 230 CA GLY B 21 15.559 16.081 3.909 1.00 0.00 C ATOM 231 C GLY B 21 16.705 17.081 4.020 1.00 0.00 C ATOM 232 O GLY B 21 17.820 16.814 3.570 1.00 0.00 O ATOM 0 H GLY B 21 16.998 14.684 3.323 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.749 16.518 3.325 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.159 15.873 4.902 1.00 0.00 H new ATOM 236 N ASN B 22 16.417 18.239 4.622 1.00 0.00 N ATOM 237 CA ASN B 22 17.341 19.365 4.693 1.00 0.00 C ATOM 238 C ASN B 22 17.789 19.799 3.296 1.00 0.00 C ATOM 239 O ASN B 22 18.873 20.359 3.133 1.00 0.00 O ATOM 240 CB ASN B 22 18.527 19.024 5.597 1.00 0.00 C ATOM 241 CG ASN B 22 19.330 20.277 5.914 1.00 0.00 C ATOM 242 OD1 ASN B 22 20.595 20.309 5.505 1.00 0.00 O flip ATOM 243 ND2 ASN B 22 18.812 21.210 6.521 1.00 0.00 N flip ATOM 0 H ASN B 22 15.523 18.419 5.078 1.00 0.00 H new ATOM 0 HA ASN B 22 16.822 20.215 5.136 1.00 0.00 H new ATOM 0 HB2 ASN B 22 18.169 18.570 6.521 1.00 0.00 H new ATOM 0 HB3 ASN B 22 19.166 18.289 5.108 1.00 0.00 H new ATOM 0 HD21 ASN B 22 17.838 21.147 6.818 1.00 0.00 H new ATOM 0 HD22 ASN B 22 19.355 22.048 6.728 1.00 0.00 H new ATOM 250 N LEU B 23 16.956 19.542 2.281 1.00 0.00 N ATOM 251 CA LEU B 23 17.255 19.957 0.920 1.00 0.00 C ATOM 252 C LEU B 23 17.300 21.486 0.851 1.00 0.00 C ATOM 253 O LEU B 23 16.643 22.158 1.648 1.00 0.00 O ATOM 254 CB LEU B 23 16.185 19.395 -0.023 1.00 0.00 C ATOM 255 CG LEU B 23 16.297 17.868 -0.139 1.00 0.00 C ATOM 256 CD1 LEU B 23 15.096 17.327 -0.911 1.00 0.00 C ATOM 257 CD2 LEU B 23 17.572 17.473 -0.880 1.00 0.00 C ATOM 0 H LEU B 23 16.070 19.047 2.384 1.00 0.00 H new ATOM 0 HA LEU B 23 18.227 19.572 0.613 1.00 0.00 H new ATOM 0 HB2 LEU B 23 15.195 19.663 0.345 1.00 0.00 H new ATOM 0 HB3 LEU B 23 16.292 19.847 -1.009 1.00 0.00 H new ATOM 0 HG LEU B 23 16.324 17.449 0.867 1.00 0.00 H new ATOM 0 HD11 LEU B 23 15.175 16.243 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU B 23 14.178 17.585 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU B 23 15.077 17.766 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.630 16.387 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU B 23 17.558 17.901 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU B 23 18.439 17.849 -0.337 1.00 0.00 H new ATOM 366 N LYS B 30 13.673 17.591 -10.941 1.00 0.00 N ATOM 367 CA LYS B 30 14.302 16.422 -11.547 1.00 0.00 C ATOM 368 C LYS B 30 15.750 16.262 -11.084 1.00 0.00 C ATOM 369 O LYS B 30 16.295 15.163 -11.133 1.00 0.00 O ATOM 370 CB LYS B 30 14.208 16.563 -13.073 1.00 0.00 C ATOM 371 CG LYS B 30 14.833 15.375 -13.814 1.00 0.00 C ATOM 372 CD LYS B 30 14.084 14.082 -13.494 1.00 0.00 C ATOM 373 CE LYS B 30 14.727 12.916 -14.241 1.00 0.00 C ATOM 374 NZ LYS B 30 13.972 11.668 -14.021 1.00 0.00 N ATOM 0 HA LYS B 30 13.780 15.519 -11.231 1.00 0.00 H new ATOM 0 HB2 LYS B 30 13.161 16.657 -13.362 1.00 0.00 H new ATOM 0 HB3 LYS B 30 14.707 17.482 -13.381 1.00 0.00 H new ATOM 0 HG2 LYS B 30 14.810 15.558 -14.888 1.00 0.00 H new ATOM 0 HG3 LYS B 30 15.881 15.274 -13.530 1.00 0.00 H new ATOM 0 HD2 LYS B 30 14.105 13.894 -12.420 1.00 0.00 H new ATOM 0 HD3 LYS B 30 13.037 14.177 -13.781 1.00 0.00 H new ATOM 0 HE2 LYS B 30 14.765 13.139 -15.307 1.00 0.00 H new ATOM 0 HE3 LYS B 30 15.756 12.787 -13.905 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 14.557 10.855 -14.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 13.723 11.586 -13.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 13.103 11.682 -14.593 1.00 0.00 H new ATOM 388 N ASP B 31 16.382 17.346 -10.630 1.00 0.00 N ATOM 389 CA ASP B 31 17.768 17.293 -10.186 1.00 0.00 C ATOM 390 C ASP B 31 17.955 16.427 -8.941 1.00 0.00 C ATOM 391 O ASP B 31 19.048 15.917 -8.701 1.00 0.00 O ATOM 392 CB ASP B 31 18.320 18.703 -9.970 1.00 0.00 C ATOM 393 CG ASP B 31 18.529 19.457 -11.285 1.00 0.00 C ATOM 394 OD1 ASP B 31 18.156 18.907 -12.343 1.00 0.00 O ATOM 395 OD2 ASP B 31 19.064 20.583 -11.207 1.00 0.00 O ATOM 0 H ASP B 31 15.953 18.269 -10.562 1.00 0.00 H new ATOM 0 HA ASP B 31 18.340 16.815 -10.981 1.00 0.00 H new ATOM 0 HB2 ASP B 31 17.634 19.266 -9.337 1.00 0.00 H new ATOM 0 HB3 ASP B 31 19.268 18.641 -9.436 1.00 0.00 H new ATOM 400 N ILE B 32 16.890 16.264 -8.149 1.00 0.00 N ATOM 401 CA ILE B 32 16.934 15.434 -6.953 1.00 0.00 C ATOM 402 C ILE B 32 16.990 13.954 -7.333 1.00 0.00 C ATOM 403 O ILE B 32 17.411 13.122 -6.533 1.00 0.00 O ATOM 404 CB ILE B 32 15.711 15.754 -6.074 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.697 14.931 -4.778 1.00 0.00 C ATOM 406 CG2 ILE B 32 14.412 15.452 -6.827 1.00 0.00 C ATOM 407 CD1 ILE B 32 16.964 15.174 -3.951 1.00 0.00 C ATOM 0 H ILE B 32 15.985 16.701 -8.321 1.00 0.00 H new ATOM 0 HA ILE B 32 17.836 15.652 -6.382 1.00 0.00 H new ATOM 0 HB ILE B 32 15.782 16.814 -5.828 1.00 0.00 H new ATOM 0 HG12 ILE B 32 14.819 15.193 -4.188 1.00 0.00 H new ATOM 0 HG13 ILE B 32 15.615 13.871 -5.019 1.00 0.00 H new ATOM 0 HG21 ILE B 32 13.559 15.685 -6.189 1.00 0.00 H new ATOM 0 HG22 ILE B 32 14.366 16.060 -7.731 1.00 0.00 H new ATOM 0 HG23 ILE B 32 14.385 14.396 -7.098 1.00 0.00 H new ATOM 0 HD11 ILE B 32 16.924 14.577 -3.040 1.00 0.00 H new ATOM 0 HD12 ILE B 32 17.839 14.888 -4.534 1.00 0.00 H new ATOM 0 HD13 ILE B 32 17.031 16.230 -3.690 1.00 0.00 H new ATOM 419 N GLU B 33 16.568 13.621 -8.555 1.00 0.00 N ATOM 420 CA GLU B 33 16.579 12.254 -9.038 1.00 0.00 C ATOM 421 C GLU B 33 17.908 11.967 -9.727 1.00 0.00 C ATOM 422 O GLU B 33 18.364 10.829 -9.738 1.00 0.00 O ATOM 423 CB GLU B 33 15.434 12.047 -10.034 1.00 0.00 C ATOM 424 CG GLU B 33 14.097 12.518 -9.454 1.00 0.00 C ATOM 425 CD GLU B 33 12.918 12.093 -10.329 1.00 0.00 C ATOM 426 OE1 GLU B 33 13.173 11.492 -11.400 1.00 0.00 O ATOM 427 OE2 GLU B 33 11.771 12.373 -9.917 1.00 0.00 O ATOM 0 H GLU B 33 16.211 14.297 -9.231 1.00 0.00 H new ATOM 0 HA GLU B 33 16.451 11.575 -8.195 1.00 0.00 H new ATOM 0 HB2 GLU B 33 15.646 12.593 -10.953 1.00 0.00 H new ATOM 0 HB3 GLU B 33 15.366 10.992 -10.299 1.00 0.00 H new ATOM 0 HG2 GLU B 33 13.972 12.109 -8.451 1.00 0.00 H new ATOM 0 HG3 GLU B 33 14.105 13.604 -9.357 1.00 0.00 H new ATOM 434 N ASP B 34 18.530 13.002 -10.301 1.00 0.00 N ATOM 435 CA ASP B 34 19.791 12.848 -11.019 1.00 0.00 C ATOM 436 C ASP B 34 20.978 12.616 -10.091 1.00 0.00 C ATOM 437 O ASP B 34 21.918 11.911 -10.454 1.00 0.00 O ATOM 438 CB ASP B 34 20.028 14.051 -11.936 1.00 0.00 C ATOM 439 CG ASP B 34 19.066 14.081 -13.124 1.00 0.00 C ATOM 440 OD1 ASP B 34 19.123 15.080 -13.877 1.00 0.00 O ATOM 441 OD2 ASP B 34 18.288 13.110 -13.283 1.00 0.00 O ATOM 0 H ASP B 34 18.175 13.958 -10.280 1.00 0.00 H new ATOM 0 HA ASP B 34 19.707 11.949 -11.630 1.00 0.00 H new ATOM 0 HB2 ASP B 34 19.918 14.970 -11.360 1.00 0.00 H new ATOM 0 HB3 ASP B 34 21.054 14.027 -12.304 1.00 0.00 H new ATOM 446 N VAL B 35 20.943 13.203 -8.887 1.00 0.00 N ATOM 447 CA VAL B 35 21.995 12.997 -7.904 1.00 0.00 C ATOM 448 C VAL B 35 21.877 11.579 -7.362 1.00 0.00 C ATOM 449 O VAL B 35 22.875 10.869 -7.245 1.00 0.00 O ATOM 450 CB VAL B 35 21.847 14.025 -6.776 1.00 0.00 C ATOM 451 CG1 VAL B 35 22.784 13.685 -5.612 1.00 0.00 C ATOM 452 CG2 VAL B 35 22.200 15.418 -7.296 1.00 0.00 C ATOM 0 H VAL B 35 20.194 13.823 -8.578 1.00 0.00 H new ATOM 0 HA VAL B 35 22.977 13.127 -8.359 1.00 0.00 H new ATOM 0 HB VAL B 35 20.814 14.004 -6.428 1.00 0.00 H new ATOM 0 HG11 VAL B 35 22.665 14.425 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL B 35 22.538 12.697 -5.224 1.00 0.00 H new ATOM 0 HG13 VAL B 35 23.816 13.691 -5.962 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.093 16.145 -6.491 1.00 0.00 H new ATOM 0 HG22 VAL B 35 23.229 15.422 -7.655 1.00 0.00 H new ATOM 0 HG23 VAL B 35 21.530 15.682 -8.114 1.00 0.00 H new ATOM 462 N PHE B 36 20.655 11.158 -7.034 1.00 0.00 N ATOM 463 CA PHE B 36 20.433 9.818 -6.533 1.00 0.00 C ATOM 464 C PHE B 36 20.578 8.743 -7.605 1.00 0.00 C ATOM 465 O PHE B 36 20.973 7.619 -7.306 1.00 0.00 O ATOM 466 CB PHE B 36 19.104 9.737 -5.773 1.00 0.00 C ATOM 467 CG PHE B 36 19.171 10.342 -4.384 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.217 11.733 -4.221 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.184 9.506 -3.256 1.00 0.00 C ATOM 470 CE1 PHE B 36 19.270 12.288 -2.935 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.241 10.063 -1.971 1.00 0.00 C ATOM 472 CZ PHE B 36 19.282 11.453 -1.809 1.00 0.00 C ATOM 0 H PHE B 36 19.813 11.729 -7.109 1.00 0.00 H new ATOM 0 HA PHE B 36 21.229 9.602 -5.821 1.00 0.00 H new ATOM 0 HB2 PHE B 36 18.332 10.249 -6.348 1.00 0.00 H new ATOM 0 HB3 PHE B 36 18.802 8.693 -5.693 1.00 0.00 H new ATOM 0 HD1 PHE B 36 19.212 12.378 -5.087 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.150 8.434 -3.378 1.00 0.00 H new ATOM 0 HE1 PHE B 36 19.302 13.360 -2.811 1.00 0.00 H new ATOM 0 HE2 PHE B 36 19.253 9.419 -1.104 1.00 0.00 H new ATOM 0 HZ PHE B 36 19.323 11.881 -0.818 1.00 0.00 H new ATOM 482 N SER B 37 20.261 9.090 -8.860 1.00 0.00 N ATOM 483 CA SER B 37 20.461 8.184 -9.985 1.00 0.00 C ATOM 484 C SER B 37 21.951 7.967 -10.251 1.00 0.00 C ATOM 485 O SER B 37 22.336 6.935 -10.800 1.00 0.00 O ATOM 486 CB SER B 37 19.769 8.747 -11.225 1.00 0.00 C ATOM 487 OG SER B 37 19.977 7.882 -12.322 1.00 0.00 O ATOM 0 H SER B 37 19.865 9.994 -9.116 1.00 0.00 H new ATOM 0 HA SER B 37 20.023 7.216 -9.741 1.00 0.00 H new ATOM 0 HB2 SER B 37 18.701 8.861 -11.037 1.00 0.00 H new ATOM 0 HB3 SER B 37 20.160 9.739 -11.453 1.00 0.00 H new ATOM 0 HG SER B 37 19.530 8.246 -13.115 1.00 0.00 H new ATOM 493 N LYS B 38 22.798 8.931 -9.868 1.00 0.00 N ATOM 494 CA LYS B 38 24.240 8.785 -9.999 1.00 0.00 C ATOM 495 C LYS B 38 24.770 7.857 -8.907 1.00 0.00 C ATOM 496 O LYS B 38 25.739 7.132 -9.126 1.00 0.00 O ATOM 497 CB LYS B 38 24.895 10.168 -9.923 1.00 0.00 C ATOM 498 CG LYS B 38 26.415 10.049 -10.027 1.00 0.00 C ATOM 499 CD LYS B 38 27.058 11.432 -10.134 1.00 0.00 C ATOM 500 CE LYS B 38 26.770 12.264 -8.880 1.00 0.00 C ATOM 501 NZ LYS B 38 27.435 13.577 -8.954 1.00 0.00 N ATOM 0 H LYS B 38 22.501 9.820 -9.465 1.00 0.00 H new ATOM 0 HA LYS B 38 24.484 8.339 -10.963 1.00 0.00 H new ATOM 0 HB2 LYS B 38 24.518 10.800 -10.728 1.00 0.00 H new ATOM 0 HB3 LYS B 38 24.626 10.653 -8.985 1.00 0.00 H new ATOM 0 HG2 LYS B 38 26.805 9.528 -9.153 1.00 0.00 H new ATOM 0 HG3 LYS B 38 26.679 9.451 -10.899 1.00 0.00 H new ATOM 0 HD2 LYS B 38 28.135 11.328 -10.268 1.00 0.00 H new ATOM 0 HD3 LYS B 38 26.676 11.949 -11.014 1.00 0.00 H new ATOM 0 HE2 LYS B 38 25.694 12.403 -8.770 1.00 0.00 H new ATOM 0 HE3 LYS B 38 27.114 11.727 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 27.225 14.122 -8.093 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 28.463 13.441 -9.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 27.087 14.096 -9.786 1.00 0.00 H new ATOM 515 N TYR B 39 24.135 7.882 -7.733 1.00 0.00 N ATOM 516 CA TYR B 39 24.494 6.992 -6.635 1.00 0.00 C ATOM 517 C TYR B 39 23.972 5.560 -6.750 1.00 0.00 C ATOM 518 O TYR B 39 24.454 4.676 -6.043 1.00 0.00 O ATOM 519 CB TYR B 39 24.153 7.627 -5.287 1.00 0.00 C ATOM 520 CG TYR B 39 25.219 8.573 -4.774 1.00 0.00 C ATOM 521 CD1 TYR B 39 25.952 8.232 -3.631 1.00 0.00 C ATOM 522 CD2 TYR B 39 25.477 9.781 -5.442 1.00 0.00 C ATOM 523 CE1 TYR B 39 26.945 9.094 -3.147 1.00 0.00 C ATOM 524 CE2 TYR B 39 26.474 10.645 -4.969 1.00 0.00 C ATOM 525 CZ TYR B 39 27.213 10.303 -3.819 1.00 0.00 C ATOM 526 OH TYR B 39 28.183 11.144 -3.354 1.00 0.00 O ATOM 0 H TYR B 39 23.364 8.515 -7.521 1.00 0.00 H new ATOM 0 HA TYR B 39 25.575 6.874 -6.707 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.212 8.169 -5.378 1.00 0.00 H new ATOM 0 HB3 TYR B 39 23.996 6.837 -4.552 1.00 0.00 H new ATOM 0 HD1 TYR B 39 25.751 7.302 -3.121 1.00 0.00 H new ATOM 0 HD2 TYR B 39 24.907 10.044 -6.321 1.00 0.00 H new ATOM 0 HE1 TYR B 39 27.504 8.832 -2.261 1.00 0.00 H new ATOM 0 HE2 TYR B 39 26.676 11.572 -5.485 1.00 0.00 H new ATOM 0 HH TYR B 39 28.239 11.931 -3.935 1.00 0.00 H new ATOM 536 N GLY B 40 22.996 5.315 -7.629 1.00 0.00 N ATOM 537 CA GLY B 40 22.482 3.972 -7.839 1.00 0.00 C ATOM 538 C GLY B 40 21.231 3.974 -8.710 1.00 0.00 C ATOM 539 O GLY B 40 20.764 5.029 -9.128 1.00 0.00 O ATOM 0 H GLY B 40 22.551 6.032 -8.202 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.251 3.358 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.254 3.516 -6.876 1.00 0.00 H new ATOM 543 N ALA B 41 20.690 2.786 -8.984 1.00 0.00 N ATOM 544 CA ALA B 41 19.519 2.645 -9.835 1.00 0.00 C ATOM 545 C ALA B 41 18.242 2.925 -9.043 1.00 0.00 C ATOM 546 O ALA B 41 17.893 2.172 -8.133 1.00 0.00 O ATOM 547 CB ALA B 41 19.499 1.230 -10.416 1.00 0.00 C ATOM 0 H ALA B 41 21.052 1.903 -8.623 1.00 0.00 H new ATOM 0 HA ALA B 41 19.568 3.370 -10.648 1.00 0.00 H new ATOM 0 HB1 ALA B 41 18.625 1.112 -11.056 1.00 0.00 H new ATOM 0 HB2 ALA B 41 20.403 1.064 -11.002 1.00 0.00 H new ATOM 0 HB3 ALA B 41 19.455 0.504 -9.604 1.00 0.00 H new ATOM 553 N ILE B 42 17.547 4.011 -9.397 1.00 0.00 N ATOM 554 CA ILE B 42 16.271 4.365 -8.785 1.00 0.00 C ATOM 555 C ILE B 42 15.130 3.649 -9.509 1.00 0.00 C ATOM 556 O ILE B 42 15.148 3.523 -10.732 1.00 0.00 O ATOM 557 CB ILE B 42 16.084 5.894 -8.812 1.00 0.00 C ATOM 558 CG1 ILE B 42 16.652 6.527 -7.535 1.00 0.00 C ATOM 559 CG2 ILE B 42 14.608 6.285 -8.904 1.00 0.00 C ATOM 560 CD1 ILE B 42 18.132 6.200 -7.364 1.00 0.00 C ATOM 0 H ILE B 42 17.856 4.666 -10.115 1.00 0.00 H new ATOM 0 HA ILE B 42 16.263 4.043 -7.744 1.00 0.00 H new ATOM 0 HB ILE B 42 16.613 6.256 -9.694 1.00 0.00 H new ATOM 0 HG12 ILE B 42 16.518 7.608 -7.572 1.00 0.00 H new ATOM 0 HG13 ILE B 42 16.096 6.167 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE B 42 14.520 7.371 -8.920 1.00 0.00 H new ATOM 0 HG22 ILE B 42 14.178 5.872 -9.817 1.00 0.00 H new ATOM 0 HG23 ILE B 42 14.073 5.891 -8.040 1.00 0.00 H new ATOM 0 HD11 ILE B 42 18.504 6.663 -6.450 1.00 0.00 H new ATOM 0 HD12 ILE B 42 18.261 5.119 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE B 42 18.690 6.583 -8.218 1.00 0.00 H new ATOM 572 N ARG B 43 14.139 3.186 -8.743 1.00 0.00 N ATOM 573 CA ARG B 43 12.927 2.591 -9.289 1.00 0.00 C ATOM 574 C ARG B 43 11.748 3.539 -9.097 1.00 0.00 C ATOM 575 O ARG B 43 10.836 3.556 -9.920 1.00 0.00 O ATOM 576 CB ARG B 43 12.650 1.252 -8.594 1.00 0.00 C ATOM 577 CG ARG B 43 13.785 0.238 -8.761 1.00 0.00 C ATOM 578 CD ARG B 43 13.939 -0.207 -10.221 1.00 0.00 C ATOM 579 NE ARG B 43 14.704 0.768 -11.007 1.00 0.00 N ATOM 580 CZ ARG B 43 15.578 0.447 -11.965 1.00 0.00 C ATOM 581 NH1 ARG B 43 15.802 -0.823 -12.285 1.00 0.00 N ATOM 582 NH2 ARG B 43 16.227 1.414 -12.610 1.00 0.00 N ATOM 0 H ARG B 43 14.159 3.216 -7.724 1.00 0.00 H new ATOM 0 HA ARG B 43 13.063 2.415 -10.356 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.484 1.429 -7.531 1.00 0.00 H new ATOM 0 HB3 ARG B 43 11.730 0.826 -8.994 1.00 0.00 H new ATOM 0 HG2 ARG B 43 14.720 0.678 -8.414 1.00 0.00 H new ATOM 0 HG3 ARG B 43 13.591 -0.632 -8.134 1.00 0.00 H new ATOM 0 HD2 ARG B 43 14.439 -1.175 -10.256 1.00 0.00 H new ATOM 0 HD3 ARG B 43 12.953 -0.341 -10.667 1.00 0.00 H new ATOM 0 HE ARG B 43 14.559 1.758 -10.808 1.00 0.00 H new ATOM 0 HH11 ARG B 43 15.304 -1.567 -11.797 1.00 0.00 H new ATOM 0 HH12 ARG B 43 16.472 -1.054 -13.019 1.00 0.00 H new ATOM 0 HH21 ARG B 43 16.055 2.391 -12.371 1.00 0.00 H new ATOM 0 HH22 ARG B 43 16.896 1.178 -13.343 1.00 0.00 H new ATOM 596 N ASP B 44 11.772 4.319 -8.013 1.00 0.00 N ATOM 597 CA ASP B 44 10.710 5.273 -7.693 1.00 0.00 C ATOM 598 C ASP B 44 11.186 6.485 -6.894 1.00 0.00 C ATOM 599 O ASP B 44 12.229 6.438 -6.243 1.00 0.00 O ATOM 600 CB ASP B 44 9.542 4.573 -6.988 1.00 0.00 C ATOM 601 CG ASP B 44 8.592 3.879 -7.970 1.00 0.00 C ATOM 602 OD1 ASP B 44 8.167 2.747 -7.647 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.300 4.491 -9.022 1.00 0.00 O ATOM 0 H ASP B 44 12.531 4.306 -7.332 1.00 0.00 H new ATOM 0 HA ASP B 44 10.365 5.667 -8.649 1.00 0.00 H new ATOM 0 HB2 ASP B 44 9.934 3.837 -6.286 1.00 0.00 H new ATOM 0 HB3 ASP B 44 8.984 5.305 -6.404 1.00 0.00 H new ATOM 608 N ILE B 45 10.403 7.563 -6.952 1.00 0.00 N ATOM 609 CA ILE B 45 10.675 8.811 -6.249 1.00 0.00 C ATOM 610 C ILE B 45 9.363 9.370 -5.700 1.00 0.00 C ATOM 611 O ILE B 45 8.299 9.134 -6.274 1.00 0.00 O ATOM 612 CB ILE B 45 11.319 9.825 -7.210 1.00 0.00 C ATOM 613 CG1 ILE B 45 12.724 9.401 -7.646 1.00 0.00 C ATOM 614 CG2 ILE B 45 11.384 11.215 -6.575 1.00 0.00 C ATOM 615 CD1 ILE B 45 13.718 9.376 -6.483 1.00 0.00 C ATOM 0 H ILE B 45 9.544 7.590 -7.502 1.00 0.00 H new ATOM 0 HA ILE B 45 11.365 8.625 -5.426 1.00 0.00 H new ATOM 0 HB ILE B 45 10.684 9.857 -8.095 1.00 0.00 H new ATOM 0 HG12 ILE B 45 12.676 8.411 -8.100 1.00 0.00 H new ATOM 0 HG13 ILE B 45 13.085 10.086 -8.413 1.00 0.00 H new ATOM 0 HG21 ILE B 45 11.843 11.913 -7.274 1.00 0.00 H new ATOM 0 HG22 ILE B 45 10.376 11.553 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE B 45 11.979 11.171 -5.663 1.00 0.00 H new ATOM 0 HD11 ILE B 45 14.698 9.069 -6.848 1.00 0.00 H new ATOM 0 HD12 ILE B 45 13.790 10.371 -6.044 1.00 0.00 H new ATOM 0 HD13 ILE B 45 13.375 8.670 -5.727 1.00 0.00 H new ATOM 627 N ASP B 46 9.432 10.110 -4.591 1.00 0.00 N ATOM 628 CA ASP B 46 8.266 10.775 -4.034 1.00 0.00 C ATOM 629 C ASP B 46 8.639 12.200 -3.635 1.00 0.00 C ATOM 630 O ASP B 46 8.393 12.618 -2.504 1.00 0.00 O ATOM 631 CB ASP B 46 7.723 9.986 -2.836 1.00 0.00 C ATOM 632 CG ASP B 46 6.400 10.564 -2.334 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.034 10.254 -1.180 1.00 0.00 O ATOM 634 OD2 ASP B 46 5.764 11.317 -3.108 1.00 0.00 O ATOM 0 H ASP B 46 10.292 10.260 -4.063 1.00 0.00 H new ATOM 0 HA ASP B 46 7.477 10.819 -4.785 1.00 0.00 H new ATOM 0 HB2 ASP B 46 7.580 8.944 -3.121 1.00 0.00 H new ATOM 0 HB3 ASP B 46 8.456 9.999 -2.029 1.00 0.00 H new ATOM 639 N LEU B 47 9.240 12.958 -4.561 1.00 0.00 N ATOM 640 CA LEU B 47 9.501 14.370 -4.331 1.00 0.00 C ATOM 641 C LEU B 47 8.197 15.056 -3.925 1.00 0.00 C ATOM 642 O LEU B 47 7.174 14.892 -4.590 1.00 0.00 O ATOM 643 CB LEU B 47 10.099 14.996 -5.593 1.00 0.00 C ATOM 644 CG LEU B 47 10.210 16.522 -5.481 1.00 0.00 C ATOM 645 CD1 LEU B 47 11.183 16.917 -4.370 1.00 0.00 C ATOM 646 CD2 LEU B 47 10.707 17.093 -6.806 1.00 0.00 C ATOM 0 H LEU B 47 9.550 12.612 -5.469 1.00 0.00 H new ATOM 0 HA LEU B 47 10.223 14.497 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.087 14.573 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU B 47 9.480 14.740 -6.453 1.00 0.00 H new ATOM 0 HG LEU B 47 9.225 16.923 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU B 47 11.245 18.004 -4.310 1.00 0.00 H new ATOM 0 HD12 LEU B 47 10.829 16.521 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU B 47 12.170 16.509 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU B 47 10.786 18.177 -6.728 1.00 0.00 H new ATOM 0 HD22 LEU B 47 11.686 16.673 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU B 47 10.004 16.837 -7.599 1.00 0.00 H new ATOM 658 N LYS B 48 8.234 15.828 -2.835 1.00 0.00 N ATOM 659 CA LYS B 48 7.032 16.404 -2.246 1.00 0.00 C ATOM 660 C LYS B 48 7.352 17.774 -1.643 1.00 0.00 C ATOM 661 O LYS B 48 8.482 18.017 -1.222 1.00 0.00 O ATOM 662 CB LYS B 48 6.520 15.418 -1.188 1.00 0.00 C ATOM 663 CG LYS B 48 5.052 15.667 -0.837 1.00 0.00 C ATOM 664 CD LYS B 48 4.603 14.736 0.294 1.00 0.00 C ATOM 665 CE LYS B 48 4.925 13.265 -0.003 1.00 0.00 C ATOM 666 NZ LYS B 48 4.223 12.792 -1.209 1.00 0.00 N ATOM 0 H LYS B 48 9.094 16.067 -2.342 1.00 0.00 H new ATOM 0 HA LYS B 48 6.258 16.562 -2.997 1.00 0.00 H new ATOM 0 HB2 LYS B 48 6.637 14.398 -1.555 1.00 0.00 H new ATOM 0 HB3 LYS B 48 7.128 15.504 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.915 16.706 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.430 15.506 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.092 15.033 1.222 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.530 14.847 0.449 1.00 0.00 H new ATOM 0 HE2 LYS B 48 6.000 13.147 -0.137 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.640 12.649 0.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 3.693 11.925 -0.985 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.563 13.526 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 4.916 12.590 -1.958 1.00 0.00 H new ATOM 680 N ASN B 49 6.359 18.665 -1.603 1.00 0.00 N ATOM 681 CA ASN B 49 6.540 20.009 -1.067 1.00 0.00 C ATOM 682 C ASN B 49 5.315 20.466 -0.269 1.00 0.00 C ATOM 683 O ASN B 49 5.312 21.572 0.272 1.00 0.00 O ATOM 684 CB ASN B 49 6.822 20.982 -2.217 1.00 0.00 C ATOM 685 CG ASN B 49 8.157 20.690 -2.883 1.00 0.00 C ATOM 686 OD1 ASN B 49 9.204 20.805 -2.254 1.00 0.00 O ATOM 687 ND2 ASN B 49 8.128 20.314 -4.159 1.00 0.00 N ATOM 0 H ASN B 49 5.415 18.474 -1.939 1.00 0.00 H new ATOM 0 HA ASN B 49 7.388 19.996 -0.383 1.00 0.00 H new ATOM 0 HB2 ASN B 49 6.024 20.914 -2.956 1.00 0.00 H new ATOM 0 HB3 ASN B 49 6.820 22.004 -1.838 1.00 0.00 H new ATOM 0 HD21 ASN B 49 8.998 20.109 -4.650 1.00 0.00 H new ATOM 0 HD22 ASN B 49 7.236 20.231 -4.646 1.00 0.00 H new ATOM 770 N PRO B 55 12.001 21.464 1.183 1.00 0.00 N ATOM 771 CA PRO B 55 11.653 20.314 0.367 1.00 0.00 C ATOM 772 C PRO B 55 11.840 19.001 1.127 1.00 0.00 C ATOM 773 O PRO B 55 12.660 18.906 2.041 1.00 0.00 O ATOM 774 CB PRO B 55 12.556 20.377 -0.865 1.00 0.00 C ATOM 775 CG PRO B 55 13.084 21.813 -0.890 1.00 0.00 C ATOM 776 CD PRO B 55 13.053 22.249 0.570 1.00 0.00 C ATOM 0 HA PRO B 55 10.600 20.343 0.087 1.00 0.00 H new ATOM 0 HB2 PRO B 55 13.371 19.657 -0.795 1.00 0.00 H new ATOM 0 HB3 PRO B 55 12.002 20.144 -1.774 1.00 0.00 H new ATOM 0 HG2 PRO B 55 14.094 21.859 -1.298 1.00 0.00 H new ATOM 0 HG3 PRO B 55 12.460 22.456 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO B 55 14.012 22.067 1.055 1.00 0.00 H new ATOM 0 HD3 PRO B 55 12.849 23.316 0.657 1.00 0.00 H new ATOM 784 N PHE B 56 11.069 17.989 0.728 1.00 0.00 N ATOM 785 CA PHE B 56 11.111 16.654 1.303 1.00 0.00 C ATOM 786 C PHE B 56 10.814 15.571 0.273 1.00 0.00 C ATOM 787 O PHE B 56 10.027 15.796 -0.646 1.00 0.00 O ATOM 788 CB PHE B 56 10.202 16.579 2.533 1.00 0.00 C ATOM 789 CG PHE B 56 9.544 15.232 2.740 1.00 0.00 C ATOM 790 CD1 PHE B 56 8.233 15.038 2.281 1.00 0.00 C ATOM 791 CD2 PHE B 56 10.222 14.189 3.381 1.00 0.00 C ATOM 792 CE1 PHE B 56 7.612 13.796 2.446 1.00 0.00 C ATOM 793 CE2 PHE B 56 9.597 12.946 3.544 1.00 0.00 C ATOM 794 CZ PHE B 56 8.294 12.748 3.075 1.00 0.00 C ATOM 0 H PHE B 56 10.384 18.082 -0.022 1.00 0.00 H new ATOM 0 HA PHE B 56 12.130 16.457 1.637 1.00 0.00 H new ATOM 0 HB2 PHE B 56 10.788 16.824 3.419 1.00 0.00 H new ATOM 0 HB3 PHE B 56 9.426 17.339 2.444 1.00 0.00 H new ATOM 0 HD1 PHE B 56 7.703 15.847 1.800 1.00 0.00 H new ATOM 0 HD2 PHE B 56 11.226 14.342 3.749 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.604 13.645 2.087 1.00 0.00 H new ATOM 0 HE2 PHE B 56 10.122 12.139 4.033 1.00 0.00 H new ATOM 0 HZ PHE B 56 7.815 11.788 3.198 1.00 0.00 H new ATOM 804 N ALA B 57 11.432 14.399 0.404 1.00 0.00 N ATOM 805 CA ALA B 57 11.260 13.366 -0.598 1.00 0.00 C ATOM 806 C ALA B 57 11.624 11.979 -0.081 1.00 0.00 C ATOM 807 O ALA B 57 12.386 11.832 0.873 1.00 0.00 O ATOM 808 CB ALA B 57 12.139 13.700 -1.804 1.00 0.00 C ATOM 0 H ALA B 57 12.044 14.150 1.181 1.00 0.00 H new ATOM 0 HA ALA B 57 10.205 13.342 -0.872 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.019 12.930 -2.566 1.00 0.00 H new ATOM 0 HB2 ALA B 57 11.843 14.666 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.183 13.743 -1.493 1.00 0.00 H new ATOM 814 N PHE B 58 11.060 10.965 -0.739 1.00 0.00 N ATOM 815 CA PHE B 58 11.462 9.579 -0.588 1.00 0.00 C ATOM 816 C PHE B 58 12.105 9.033 -1.858 1.00 0.00 C ATOM 817 O PHE B 58 11.795 9.487 -2.957 1.00 0.00 O ATOM 818 CB PHE B 58 10.312 8.700 -0.084 1.00 0.00 C ATOM 819 CG PHE B 58 10.257 8.559 1.418 1.00 0.00 C ATOM 820 CD1 PHE B 58 10.708 7.371 2.009 1.00 0.00 C ATOM 821 CD2 PHE B 58 9.758 9.594 2.222 1.00 0.00 C ATOM 822 CE1 PHE B 58 10.686 7.223 3.400 1.00 0.00 C ATOM 823 CE2 PHE B 58 9.718 9.435 3.617 1.00 0.00 C ATOM 824 CZ PHE B 58 10.186 8.256 4.204 1.00 0.00 C ATOM 0 H PHE B 58 10.297 11.094 -1.403 1.00 0.00 H new ATOM 0 HA PHE B 58 12.231 9.549 0.184 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.368 9.119 -0.434 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.405 7.709 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE B 58 11.074 6.567 1.388 1.00 0.00 H new ATOM 0 HD2 PHE B 58 9.406 10.510 1.770 1.00 0.00 H new ATOM 0 HE1 PHE B 58 11.054 6.314 3.853 1.00 0.00 H new ATOM 0 HE2 PHE B 58 9.324 10.226 4.238 1.00 0.00 H new ATOM 0 HZ PHE B 58 10.162 8.141 5.278 1.00 0.00 H new ATOM 834 N VAL B 59 13.002 8.059 -1.706 1.00 0.00 N ATOM 835 CA VAL B 59 13.737 7.492 -2.820 1.00 0.00 C ATOM 836 C VAL B 59 13.744 5.978 -2.691 1.00 0.00 C ATOM 837 O VAL B 59 13.952 5.456 -1.600 1.00 0.00 O ATOM 838 CB VAL B 59 15.165 8.045 -2.820 1.00 0.00 C ATOM 839 CG1 VAL B 59 15.960 7.424 -3.964 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.155 9.564 -2.987 1.00 0.00 C ATOM 0 H VAL B 59 13.235 7.645 -0.803 1.00 0.00 H new ATOM 0 HA VAL B 59 13.261 7.762 -3.763 1.00 0.00 H new ATOM 0 HB VAL B 59 15.629 7.794 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL B 59 16.975 7.821 -3.959 1.00 0.00 H new ATOM 0 HG12 VAL B 59 15.993 6.342 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.481 7.665 -4.913 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.179 9.937 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL B 59 14.677 9.823 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL B 59 14.602 10.017 -2.164 1.00 0.00 H new ATOM 850 N GLU B 60 13.519 5.271 -3.802 1.00 0.00 N ATOM 851 CA GLU B 60 13.456 3.817 -3.784 1.00 0.00 C ATOM 852 C GLU B 60 14.457 3.223 -4.771 1.00 0.00 C ATOM 853 O GLU B 60 14.311 3.375 -5.983 1.00 0.00 O ATOM 854 CB GLU B 60 12.027 3.370 -4.086 1.00 0.00 C ATOM 855 CG GLU B 60 11.948 1.843 -4.146 1.00 0.00 C ATOM 856 CD GLU B 60 10.500 1.358 -4.208 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.589 2.202 -4.054 1.00 0.00 O ATOM 858 OE2 GLU B 60 10.321 0.137 -4.411 1.00 0.00 O ATOM 0 H GLU B 60 13.378 5.687 -4.723 1.00 0.00 H new ATOM 0 HA GLU B 60 13.729 3.451 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.351 3.746 -3.317 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.699 3.795 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.491 1.484 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.438 1.418 -3.270 1.00 0.00 H new ATOM 865 N PHE B 61 15.472 2.548 -4.230 1.00 0.00 N ATOM 866 CA PHE B 61 16.492 1.866 -5.009 1.00 0.00 C ATOM 867 C PHE B 61 16.104 0.462 -5.458 1.00 0.00 C ATOM 868 O PHE B 61 15.215 -0.159 -4.875 1.00 0.00 O ATOM 869 CB PHE B 61 17.812 1.839 -4.239 1.00 0.00 C ATOM 870 CG PHE B 61 18.519 3.172 -4.190 1.00 0.00 C ATOM 871 CD1 PHE B 61 18.378 4.001 -3.069 1.00 0.00 C ATOM 872 CD2 PHE B 61 19.328 3.574 -5.265 1.00 0.00 C ATOM 873 CE1 PHE B 61 19.053 5.228 -3.020 1.00 0.00 C ATOM 874 CE2 PHE B 61 19.999 4.803 -5.212 1.00 0.00 C ATOM 875 CZ PHE B 61 19.859 5.629 -4.092 1.00 0.00 C ATOM 0 H PHE B 61 15.606 2.462 -3.222 1.00 0.00 H new ATOM 0 HA PHE B 61 16.606 2.444 -5.926 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.620 1.503 -3.220 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.474 1.104 -4.698 1.00 0.00 H new ATOM 0 HD1 PHE B 61 17.751 3.695 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE B 61 19.433 2.937 -6.131 1.00 0.00 H new ATOM 0 HE1 PHE B 61 18.951 5.865 -2.154 1.00 0.00 H new ATOM 0 HE2 PHE B 61 20.624 5.113 -6.036 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.374 6.578 -4.054 1.00 0.00 H new ATOM 885 N GLU B 62 16.777 -0.039 -6.498 1.00 0.00 N ATOM 886 CA GLU B 62 16.594 -1.409 -6.961 1.00 0.00 C ATOM 887 C GLU B 62 17.346 -2.385 -6.053 1.00 0.00 C ATOM 888 O GLU B 62 16.924 -3.529 -5.889 1.00 0.00 O ATOM 889 CB GLU B 62 17.089 -1.507 -8.408 1.00 0.00 C ATOM 890 CG GLU B 62 17.191 -2.954 -8.912 1.00 0.00 C ATOM 891 CD GLU B 62 15.838 -3.671 -8.959 1.00 0.00 C ATOM 892 OE1 GLU B 62 14.813 -3.027 -8.644 1.00 0.00 O ATOM 893 OE2 GLU B 62 15.848 -4.869 -9.318 1.00 0.00 O ATOM 0 H GLU B 62 17.459 0.494 -7.037 1.00 0.00 H new ATOM 0 HA GLU B 62 15.538 -1.677 -6.924 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.413 -0.950 -9.056 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.067 -1.032 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.631 -2.955 -9.909 1.00 0.00 H new ATOM 0 HG3 GLU B 62 17.868 -3.511 -8.265 1.00 0.00 H new ATOM 900 N ASP B 63 18.459 -1.931 -5.465 1.00 0.00 N ATOM 901 CA ASP B 63 19.304 -2.746 -4.600 1.00 0.00 C ATOM 902 C ASP B 63 19.602 -2.067 -3.264 1.00 0.00 C ATOM 903 O ASP B 63 19.650 -0.838 -3.195 1.00 0.00 O ATOM 904 CB ASP B 63 20.602 -3.120 -5.327 1.00 0.00 C ATOM 905 CG ASP B 63 20.397 -4.166 -6.419 1.00 0.00 C ATOM 906 OD1 ASP B 63 19.415 -4.935 -6.318 1.00 0.00 O ATOM 907 OD2 ASP B 63 21.232 -4.185 -7.353 1.00 0.00 O ATOM 0 H ASP B 63 18.798 -0.976 -5.581 1.00 0.00 H new ATOM 0 HA ASP B 63 18.751 -3.656 -4.369 1.00 0.00 H new ATOM 0 HB2 ASP B 63 21.035 -2.223 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP B 63 21.322 -3.498 -4.601 1.00 0.00 H new ATOM 912 N PRO B 64 19.805 -2.851 -2.197 1.00 0.00 N ATOM 913 CA PRO B 64 20.088 -2.337 -0.869 1.00 0.00 C ATOM 914 C PRO B 64 21.494 -1.735 -0.804 1.00 0.00 C ATOM 915 O PRO B 64 21.761 -0.879 0.036 1.00 0.00 O ATOM 916 CB PRO B 64 19.962 -3.542 0.065 1.00 0.00 C ATOM 917 CG PRO B 64 20.257 -4.743 -0.835 1.00 0.00 C ATOM 918 CD PRO B 64 19.763 -4.299 -2.212 1.00 0.00 C ATOM 0 HA PRO B 64 19.403 -1.537 -0.589 1.00 0.00 H new ATOM 0 HB2 PRO B 64 20.669 -3.481 0.893 1.00 0.00 H new ATOM 0 HB3 PRO B 64 18.965 -3.606 0.501 1.00 0.00 H new ATOM 0 HG2 PRO B 64 21.321 -4.980 -0.849 1.00 0.00 H new ATOM 0 HG3 PRO B 64 19.736 -5.637 -0.492 1.00 0.00 H new ATOM 0 HD2 PRO B 64 20.396 -4.701 -3.003 1.00 0.00 H new ATOM 0 HD3 PRO B 64 18.751 -4.659 -2.400 1.00 0.00 H new ATOM 926 N ARG B 65 22.392 -2.182 -1.691 1.00 0.00 N ATOM 927 CA ARG B 65 23.754 -1.668 -1.735 1.00 0.00 C ATOM 928 C ARG B 65 23.792 -0.294 -2.395 1.00 0.00 C ATOM 929 O ARG B 65 24.703 0.489 -2.138 1.00 0.00 O ATOM 930 CB ARG B 65 24.648 -2.656 -2.490 1.00 0.00 C ATOM 931 CG ARG B 65 24.683 -4.020 -1.794 1.00 0.00 C ATOM 932 CD ARG B 65 25.264 -3.907 -0.383 1.00 0.00 C ATOM 933 NE ARG B 65 25.339 -5.223 0.260 1.00 0.00 N ATOM 934 CZ ARG B 65 25.482 -5.399 1.576 1.00 0.00 C ATOM 935 NH1 ARG B 65 25.579 -4.350 2.390 1.00 0.00 N ATOM 936 NH2 ARG B 65 25.526 -6.630 2.079 1.00 0.00 N ATOM 0 H ARG B 65 22.193 -2.901 -2.387 1.00 0.00 H new ATOM 0 HA ARG B 65 24.125 -1.558 -0.716 1.00 0.00 H new ATOM 0 HB2 ARG B 65 24.282 -2.775 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG B 65 25.659 -2.255 -2.559 1.00 0.00 H new ATOM 0 HG2 ARG B 65 23.675 -4.431 -1.743 1.00 0.00 H new ATOM 0 HG3 ARG B 65 25.282 -4.716 -2.382 1.00 0.00 H new ATOM 0 HD2 ARG B 65 26.259 -3.464 -0.430 1.00 0.00 H new ATOM 0 HD3 ARG B 65 24.645 -3.240 0.217 1.00 0.00 H new ATOM 0 HE ARG B 65 25.278 -6.051 -0.332 1.00 0.00 H new ATOM 0 HH11 ARG B 65 25.544 -3.404 2.009 1.00 0.00 H new ATOM 0 HH12 ARG B 65 25.688 -4.492 3.394 1.00 0.00 H new ATOM 0 HH21 ARG B 65 25.451 -7.437 1.460 1.00 0.00 H new ATOM 0 HH22 ARG B 65 25.635 -6.767 3.084 1.00 0.00 H new ATOM 950 N ASP B 66 22.807 0.005 -3.247 1.00 0.00 N ATOM 951 CA ASP B 66 22.700 1.325 -3.850 1.00 0.00 C ATOM 952 C ASP B 66 22.174 2.351 -2.848 1.00 0.00 C ATOM 953 O ASP B 66 22.569 3.517 -2.884 1.00 0.00 O ATOM 954 CB ASP B 66 21.819 1.271 -5.100 1.00 0.00 C ATOM 955 CG ASP B 66 22.479 0.527 -6.261 1.00 0.00 C ATOM 956 OD1 ASP B 66 23.571 -0.044 -6.051 1.00 0.00 O ATOM 957 OD2 ASP B 66 21.875 0.537 -7.358 1.00 0.00 O ATOM 0 H ASP B 66 22.078 -0.650 -3.530 1.00 0.00 H new ATOM 0 HA ASP B 66 23.698 1.644 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP B 66 20.876 0.784 -4.853 1.00 0.00 H new ATOM 0 HB3 ASP B 66 21.581 2.287 -5.415 1.00 0.00 H new ATOM 962 N ALA B 67 21.284 1.911 -1.952 1.00 0.00 N ATOM 963 CA ALA B 67 20.759 2.757 -0.894 1.00 0.00 C ATOM 964 C ALA B 67 21.830 2.982 0.168 1.00 0.00 C ATOM 965 O ALA B 67 21.879 4.044 0.788 1.00 0.00 O ATOM 966 CB ALA B 67 19.530 2.088 -0.288 1.00 0.00 C ATOM 0 H ALA B 67 20.913 0.961 -1.946 1.00 0.00 H new ATOM 0 HA ALA B 67 20.473 3.727 -1.300 1.00 0.00 H new ATOM 0 HB1 ALA B 67 19.129 2.716 0.507 1.00 0.00 H new ATOM 0 HB2 ALA B 67 18.772 1.952 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA B 67 19.809 1.117 0.122 1.00 0.00 H new ATOM 972 N GLU B 68 22.692 1.987 0.381 1.00 0.00 N ATOM 973 CA GLU B 68 23.768 2.087 1.353 1.00 0.00 C ATOM 974 C GLU B 68 24.773 3.153 0.920 1.00 0.00 C ATOM 975 O GLU B 68 25.352 3.840 1.760 1.00 0.00 O ATOM 976 CB GLU B 68 24.438 0.719 1.482 1.00 0.00 C ATOM 977 CG GLU B 68 25.619 0.764 2.450 1.00 0.00 C ATOM 978 CD GLU B 68 26.270 -0.608 2.611 1.00 0.00 C ATOM 979 OE1 GLU B 68 25.745 -1.581 2.021 1.00 0.00 O ATOM 980 OE2 GLU B 68 27.293 -0.668 3.330 1.00 0.00 O ATOM 0 H GLU B 68 22.660 1.096 -0.115 1.00 0.00 H new ATOM 0 HA GLU B 68 23.370 2.384 2.323 1.00 0.00 H new ATOM 0 HB2 GLU B 68 23.709 -0.013 1.829 1.00 0.00 H new ATOM 0 HB3 GLU B 68 24.781 0.387 0.502 1.00 0.00 H new ATOM 0 HG2 GLU B 68 26.359 1.478 2.088 1.00 0.00 H new ATOM 0 HG3 GLU B 68 25.279 1.122 3.422 1.00 0.00 H new ATOM 987 N ASP B 69 24.975 3.298 -0.390 1.00 0.00 N ATOM 988 CA ASP B 69 25.906 4.281 -0.927 1.00 0.00 C ATOM 989 C ASP B 69 25.365 5.707 -0.888 1.00 0.00 C ATOM 990 O ASP B 69 26.120 6.650 -0.660 1.00 0.00 O ATOM 991 CB ASP B 69 26.315 3.893 -2.352 1.00 0.00 C ATOM 992 CG ASP B 69 27.257 2.684 -2.382 1.00 0.00 C ATOM 993 OD1 ASP B 69 27.580 2.246 -3.510 1.00 0.00 O ATOM 994 OD2 ASP B 69 27.648 2.213 -1.292 1.00 0.00 O ATOM 0 H ASP B 69 24.501 2.741 -1.100 1.00 0.00 H new ATOM 0 HA ASP B 69 26.783 4.273 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP B 69 25.422 3.668 -2.935 1.00 0.00 H new ATOM 0 HB3 ASP B 69 26.803 4.742 -2.831 1.00 0.00 H new ATOM 999 N ALA B 70 24.057 5.874 -1.104 1.00 0.00 N ATOM 1000 CA ALA B 70 23.438 7.190 -1.078 1.00 0.00 C ATOM 1001 C ALA B 70 23.349 7.710 0.352 1.00 0.00 C ATOM 1002 O ALA B 70 23.378 8.918 0.576 1.00 0.00 O ATOM 1003 CB ALA B 70 22.047 7.092 -1.700 1.00 0.00 C ATOM 0 H ALA B 70 23.411 5.109 -1.299 1.00 0.00 H new ATOM 0 HA ALA B 70 24.045 7.891 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.572 8.073 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.132 6.745 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.442 6.388 -1.129 1.00 0.00 H new ATOM 1009 N VAL B 71 23.241 6.796 1.325 1.00 0.00 N ATOM 1010 CA VAL B 71 23.159 7.164 2.729 1.00 0.00 C ATOM 1011 C VAL B 71 24.564 7.437 3.261 1.00 0.00 C ATOM 1012 O VAL B 71 24.814 8.489 3.838 1.00 0.00 O ATOM 1013 CB VAL B 71 22.485 6.027 3.508 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.600 6.240 5.018 1.00 0.00 C ATOM 1015 CG2 VAL B 71 21.003 5.952 3.136 1.00 0.00 C ATOM 0 H VAL B 71 23.209 5.791 1.155 1.00 0.00 H new ATOM 0 HA VAL B 71 22.563 8.069 2.851 1.00 0.00 H new ATOM 0 HB VAL B 71 22.992 5.099 3.244 1.00 0.00 H new ATOM 0 HG11 VAL B 71 22.112 5.417 5.540 1.00 0.00 H new ATOM 0 HG12 VAL B 71 23.652 6.277 5.301 1.00 0.00 H new ATOM 0 HG13 VAL B 71 22.118 7.179 5.291 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.529 5.143 3.692 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.517 6.896 3.384 1.00 0.00 H new ATOM 0 HG23 VAL B 71 20.905 5.764 2.067 1.00 0.00 H new ATOM 1025 N SER B 72 25.486 6.497 3.067 1.00 0.00 N ATOM 1026 CA SER B 72 26.823 6.597 3.642 1.00 0.00 C ATOM 1027 C SER B 72 27.651 7.698 2.970 1.00 0.00 C ATOM 1028 O SER B 72 28.663 8.131 3.521 1.00 0.00 O ATOM 1029 CB SER B 72 27.519 5.241 3.512 1.00 0.00 C ATOM 1030 OG SER B 72 28.812 5.299 4.079 1.00 0.00 O ATOM 0 H SER B 72 25.330 5.655 2.514 1.00 0.00 H new ATOM 0 HA SER B 72 26.733 6.868 4.694 1.00 0.00 H new ATOM 0 HB2 SER B 72 26.929 4.472 4.011 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.587 4.958 2.461 1.00 0.00 H new ATOM 0 HG SER B 72 29.110 6.232 4.120 1.00 0.00 H new ATOM 1036 N GLY B 73 27.232 8.152 1.784 1.00 0.00 N ATOM 1037 CA GLY B 73 28.022 9.089 0.990 1.00 0.00 C ATOM 1038 C GLY B 73 27.501 10.527 1.030 1.00 0.00 C ATOM 1039 O GLY B 73 28.112 11.403 0.420 1.00 0.00 O ATOM 0 H GLY B 73 26.347 7.883 1.355 1.00 0.00 H new ATOM 0 HA2 GLY B 73 29.051 9.076 1.348 1.00 0.00 H new ATOM 0 HA3 GLY B 73 28.040 8.748 -0.045 1.00 0.00 H new ATOM 1043 N ARG B 74 26.390 10.796 1.728 1.00 0.00 N ATOM 1044 CA ARG B 74 25.800 12.132 1.704 1.00 0.00 C ATOM 1045 C ARG B 74 25.000 12.460 2.966 1.00 0.00 C ATOM 1046 O ARG B 74 24.672 13.624 3.191 1.00 0.00 O ATOM 1047 CB ARG B 74 24.938 12.248 0.442 1.00 0.00 C ATOM 1048 CG ARG B 74 24.247 13.611 0.342 1.00 0.00 C ATOM 1049 CD ARG B 74 23.729 13.835 -1.079 1.00 0.00 C ATOM 1050 NE ARG B 74 22.834 12.752 -1.512 1.00 0.00 N ATOM 1051 CZ ARG B 74 23.173 11.808 -2.393 1.00 0.00 C ATOM 1052 NH1 ARG B 74 24.387 11.787 -2.935 1.00 0.00 N ATOM 1053 NH2 ARG B 74 22.294 10.874 -2.739 1.00 0.00 N ATOM 0 H ARG B 74 25.893 10.118 2.305 1.00 0.00 H new ATOM 0 HA ARG B 74 26.603 12.868 1.683 1.00 0.00 H new ATOM 0 HB2 ARG B 74 25.562 12.092 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG B 74 24.186 11.459 0.443 1.00 0.00 H new ATOM 0 HG2 ARG B 74 23.420 13.661 1.051 1.00 0.00 H new ATOM 0 HG3 ARG B 74 24.946 14.403 0.611 1.00 0.00 H new ATOM 0 HD2 ARG B 74 23.198 14.786 -1.126 1.00 0.00 H new ATOM 0 HD3 ARG B 74 24.572 13.906 -1.766 1.00 0.00 H new ATOM 0 HE ARG B 74 21.895 12.720 -1.114 1.00 0.00 H new ATOM 0 HH11 ARG B 74 25.072 12.498 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG B 74 24.633 11.060 -3.607 1.00 0.00 H new ATOM 0 HH21 ARG B 74 21.359 10.878 -2.331 1.00 0.00 H new ATOM 0 HH22 ARG B 74 22.554 10.153 -3.412 1.00 0.00 H new ATOM 1067 N ASP B 75 24.676 11.466 3.795 1.00 0.00 N ATOM 1068 CA ASP B 75 23.902 11.711 5.004 1.00 0.00 C ATOM 1069 C ASP B 75 24.740 12.496 6.012 1.00 0.00 C ATOM 1070 O ASP B 75 25.958 12.322 6.081 1.00 0.00 O ATOM 1071 CB ASP B 75 23.472 10.379 5.615 1.00 0.00 C ATOM 1072 CG ASP B 75 22.531 10.569 6.803 1.00 0.00 C ATOM 1073 OD1 ASP B 75 21.834 11.610 6.829 1.00 0.00 O ATOM 1074 OD2 ASP B 75 22.521 9.668 7.672 1.00 0.00 O ATOM 0 H ASP B 75 24.938 10.491 3.649 1.00 0.00 H new ATOM 0 HA ASP B 75 23.017 12.295 4.750 1.00 0.00 H new ATOM 0 HB2 ASP B 75 22.978 9.775 4.855 1.00 0.00 H new ATOM 0 HB3 ASP B 75 24.355 9.827 5.937 1.00 0.00 H new ATOM 1079 N GLY B 76 24.087 13.358 6.795 1.00 0.00 N ATOM 1080 CA GLY B 76 24.730 14.056 7.898 1.00 0.00 C ATOM 1081 C GLY B 76 25.873 14.959 7.427 1.00 0.00 C ATOM 1082 O GLY B 76 26.899 15.043 8.103 1.00 0.00 O ATOM 0 H GLY B 76 23.100 13.588 6.678 1.00 0.00 H new ATOM 0 HA2 GLY B 76 23.989 14.657 8.426 1.00 0.00 H new ATOM 0 HA3 GLY B 76 25.116 13.327 8.611 1.00 0.00 H new ATOM 1086 N TYR B 77 25.715 15.628 6.281 1.00 0.00 N ATOM 1087 CA TYR B 77 26.780 16.450 5.734 1.00 0.00 C ATOM 1088 C TYR B 77 26.754 17.882 6.256 1.00 0.00 C ATOM 1089 O TYR B 77 25.713 18.537 6.234 1.00 0.00 O ATOM 1090 CB TYR B 77 26.828 16.368 4.207 1.00 0.00 C ATOM 1091 CG TYR B 77 27.694 17.435 3.567 1.00 0.00 C ATOM 1092 CD1 TYR B 77 29.083 17.416 3.765 1.00 0.00 C ATOM 1093 CD2 TYR B 77 27.109 18.439 2.779 1.00 0.00 C ATOM 1094 CE1 TYR B 77 29.892 18.404 3.183 1.00 0.00 C ATOM 1095 CE2 TYR B 77 27.911 19.429 2.195 1.00 0.00 C ATOM 1096 CZ TYR B 77 29.306 19.415 2.392 1.00 0.00 C ATOM 1097 OH TYR B 77 30.087 20.376 1.819 1.00 0.00 O ATOM 0 H TYR B 77 24.862 15.612 5.722 1.00 0.00 H new ATOM 0 HA TYR B 77 27.719 16.033 6.098 1.00 0.00 H new ATOM 0 HB2 TYR B 77 27.202 15.386 3.916 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.814 16.452 3.815 1.00 0.00 H new ATOM 0 HD1 TYR B 77 29.531 16.639 4.367 1.00 0.00 H new ATOM 0 HD2 TYR B 77 26.040 18.448 2.623 1.00 0.00 H new ATOM 0 HE1 TYR B 77 30.960 18.391 3.340 1.00 0.00 H new ATOM 0 HE2 TYR B 77 27.459 20.204 1.593 1.00 0.00 H new ATOM 0 HH TYR B 77 29.524 20.993 1.307 1.00 0.00 H new ATOM 1107 N ASP B 78 27.907 18.353 6.724 1.00 0.00 N ATOM 1108 CA ASP B 78 28.057 19.686 7.289 1.00 0.00 C ATOM 1109 C ASP B 78 27.906 20.763 6.209 1.00 0.00 C ATOM 1110 O ASP B 78 28.889 21.172 5.589 1.00 0.00 O ATOM 1111 CB ASP B 78 29.417 19.775 7.992 1.00 0.00 C ATOM 1112 CG ASP B 78 29.704 21.171 8.543 1.00 0.00 C ATOM 1113 OD1 ASP B 78 30.903 21.481 8.726 1.00 0.00 O ATOM 1114 OD2 ASP B 78 28.728 21.917 8.779 1.00 0.00 O ATOM 0 H ASP B 78 28.772 17.812 6.720 1.00 0.00 H new ATOM 0 HA ASP B 78 27.268 19.865 8.019 1.00 0.00 H new ATOM 0 HB2 ASP B 78 29.448 19.053 8.808 1.00 0.00 H new ATOM 0 HB3 ASP B 78 30.203 19.497 7.290 1.00 0.00 H new ATOM 1119 N TYR B 79 26.669 21.217 5.988 1.00 0.00 N ATOM 1120 CA TYR B 79 26.362 22.232 4.994 1.00 0.00 C ATOM 1121 C TYR B 79 26.681 23.595 5.608 1.00 0.00 C ATOM 1122 O TYR B 79 27.206 23.688 6.716 1.00 0.00 O ATOM 1123 CB TYR B 79 24.872 22.135 4.673 1.00 0.00 C ATOM 1124 CG TYR B 79 24.465 22.872 3.421 1.00 0.00 C ATOM 1125 CD1 TYR B 79 23.727 24.065 3.506 1.00 0.00 C ATOM 1126 CD2 TYR B 79 24.828 22.360 2.168 1.00 0.00 C ATOM 1127 CE1 TYR B 79 23.346 24.742 2.339 1.00 0.00 C ATOM 1128 CE2 TYR B 79 24.455 23.032 0.997 1.00 0.00 C ATOM 1129 CZ TYR B 79 23.709 24.226 1.077 1.00 0.00 C ATOM 1130 OH TYR B 79 23.344 24.879 -0.062 1.00 0.00 O ATOM 0 H TYR B 79 25.852 20.884 6.500 1.00 0.00 H new ATOM 0 HA TYR B 79 26.942 22.097 4.081 1.00 0.00 H new ATOM 0 HB2 TYR B 79 24.601 21.084 4.568 1.00 0.00 H new ATOM 0 HB3 TYR B 79 24.303 22.529 5.515 1.00 0.00 H new ATOM 0 HD1 TYR B 79 23.453 24.461 4.473 1.00 0.00 H new ATOM 0 HD2 TYR B 79 25.397 21.444 2.105 1.00 0.00 H new ATOM 0 HE1 TYR B 79 22.776 25.657 2.406 1.00 0.00 H new ATOM 0 HE2 TYR B 79 24.739 22.636 0.033 1.00 0.00 H new ATOM 0 HH TYR B 79 23.677 24.387 -0.842 1.00 0.00 H new ATOM 1140 N ASP B 80 26.355 24.660 4.875 1.00 0.00 N ATOM 1141 CA ASP B 80 26.555 26.026 5.308 1.00 0.00 C ATOM 1142 C ASP B 80 25.614 26.408 6.454 1.00 0.00 C ATOM 1143 O ASP B 80 24.650 27.146 6.253 1.00 0.00 O ATOM 1144 CB ASP B 80 26.392 26.967 4.108 1.00 0.00 C ATOM 1145 CG ASP B 80 27.508 26.803 3.074 1.00 0.00 C ATOM 1146 OD1 ASP B 80 27.414 27.481 2.025 1.00 0.00 O ATOM 1147 OD2 ASP B 80 28.442 26.009 3.333 1.00 0.00 O ATOM 0 H ASP B 80 25.937 24.586 3.947 1.00 0.00 H new ATOM 0 HA ASP B 80 27.567 26.122 5.701 1.00 0.00 H new ATOM 0 HB2 ASP B 80 25.430 26.778 3.631 1.00 0.00 H new ATOM 0 HB3 ASP B 80 26.377 27.999 4.460 1.00 0.00 H new ATOM 1152 N GLY B 81 25.895 25.902 7.659 1.00 0.00 N ATOM 1153 CA GLY B 81 25.086 26.174 8.836 1.00 0.00 C ATOM 1154 C GLY B 81 23.964 25.150 8.991 1.00 0.00 C ATOM 1155 O GLY B 81 23.111 25.307 9.865 1.00 0.00 O ATOM 0 H GLY B 81 26.693 25.292 7.839 1.00 0.00 H new ATOM 0 HA2 GLY B 81 25.718 26.161 9.724 1.00 0.00 H new ATOM 0 HA3 GLY B 81 24.660 27.175 8.763 1.00 0.00 H new ATOM 1159 N TYR B 82 23.957 24.105 8.154 1.00 0.00 N ATOM 1160 CA TYR B 82 22.937 23.062 8.188 1.00 0.00 C ATOM 1161 C TYR B 82 23.523 21.647 8.132 1.00 0.00 C ATOM 1162 O TYR B 82 24.741 21.480 8.080 1.00 0.00 O ATOM 1163 CB TYR B 82 21.907 23.306 7.084 1.00 0.00 C ATOM 1164 CG TYR B 82 21.023 24.505 7.332 1.00 0.00 C ATOM 1165 CD1 TYR B 82 21.462 25.784 6.961 1.00 0.00 C ATOM 1166 CD2 TYR B 82 19.766 24.340 7.930 1.00 0.00 C ATOM 1167 CE1 TYR B 82 20.649 26.905 7.189 1.00 0.00 C ATOM 1168 CE2 TYR B 82 18.945 25.455 8.157 1.00 0.00 C ATOM 1169 CZ TYR B 82 19.384 26.743 7.786 1.00 0.00 C ATOM 1170 OH TYR B 82 18.587 27.826 8.008 1.00 0.00 O ATOM 0 H TYR B 82 24.664 23.963 7.433 1.00 0.00 H new ATOM 0 HA TYR B 82 22.433 23.122 9.153 1.00 0.00 H new ATOM 0 HB2 TYR B 82 22.428 23.440 6.136 1.00 0.00 H new ATOM 0 HB3 TYR B 82 21.281 22.420 6.981 1.00 0.00 H new ATOM 0 HD1 TYR B 82 22.430 25.907 6.498 1.00 0.00 H new ATOM 0 HD2 TYR B 82 19.429 23.354 8.216 1.00 0.00 H new ATOM 0 HE1 TYR B 82 20.993 27.889 6.907 1.00 0.00 H new ATOM 0 HE2 TYR B 82 17.976 25.327 8.616 1.00 0.00 H new ATOM 0 HH TYR B 82 17.749 27.536 8.426 1.00 0.00 H new ATOM 1180 N ARG B 83 22.658 20.628 8.144 1.00 0.00 N ATOM 1181 CA ARG B 83 23.080 19.234 8.182 1.00 0.00 C ATOM 1182 C ARG B 83 22.137 18.392 7.323 1.00 0.00 C ATOM 1183 O ARG B 83 20.959 18.260 7.647 1.00 0.00 O ATOM 1184 CB ARG B 83 23.071 18.779 9.645 1.00 0.00 C ATOM 1185 CG ARG B 83 23.584 17.349 9.826 1.00 0.00 C ATOM 1186 CD ARG B 83 25.070 17.248 9.474 1.00 0.00 C ATOM 1187 NE ARG B 83 25.886 18.151 10.293 1.00 0.00 N ATOM 1188 CZ ARG B 83 27.164 17.922 10.602 1.00 0.00 C ATOM 1189 NH1 ARG B 83 27.797 16.847 10.140 1.00 0.00 N ATOM 1190 NH2 ARG B 83 27.818 18.777 11.382 1.00 0.00 N ATOM 0 H ARG B 83 21.646 20.752 8.128 1.00 0.00 H new ATOM 0 HA ARG B 83 24.085 19.114 7.778 1.00 0.00 H new ATOM 0 HB2 ARG B 83 23.686 19.458 10.235 1.00 0.00 H new ATOM 0 HB3 ARG B 83 22.056 18.848 10.036 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.429 17.032 10.857 1.00 0.00 H new ATOM 0 HG3 ARG B 83 23.010 16.671 9.194 1.00 0.00 H new ATOM 0 HD2 ARG B 83 25.409 16.222 9.617 1.00 0.00 H new ATOM 0 HD3 ARG B 83 25.211 17.486 8.420 1.00 0.00 H new ATOM 0 HE ARG B 83 25.451 19.003 10.647 1.00 0.00 H new ATOM 0 HH11 ARG B 83 27.305 16.184 9.541 1.00 0.00 H new ATOM 0 HH12 ARG B 83 28.774 16.686 10.385 1.00 0.00 H new ATOM 0 HH21 ARG B 83 27.343 19.605 11.742 1.00 0.00 H new ATOM 0 HH22 ARG B 83 28.795 18.605 11.620 1.00 0.00 H new ATOM 1204 N LEU B 84 22.665 17.827 6.232 1.00 0.00 N ATOM 1205 CA LEU B 84 21.875 17.047 5.284 1.00 0.00 C ATOM 1206 C LEU B 84 21.279 15.821 5.975 1.00 0.00 C ATOM 1207 O LEU B 84 21.833 15.319 6.951 1.00 0.00 O ATOM 1208 CB LEU B 84 22.754 16.602 4.109 1.00 0.00 C ATOM 1209 CG LEU B 84 22.886 17.655 2.997 1.00 0.00 C ATOM 1210 CD1 LEU B 84 21.532 17.907 2.327 1.00 0.00 C ATOM 1211 CD2 LEU B 84 23.432 18.975 3.535 1.00 0.00 C ATOM 0 H LEU B 84 23.652 17.900 5.985 1.00 0.00 H new ATOM 0 HA LEU B 84 21.064 17.672 4.909 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.748 16.357 4.484 1.00 0.00 H new ATOM 0 HB3 LEU B 84 22.339 15.688 3.683 1.00 0.00 H new ATOM 0 HG LEU B 84 23.589 17.260 2.264 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.648 18.655 1.543 1.00 0.00 H new ATOM 0 HD12 LEU B 84 21.163 16.979 1.891 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.820 18.267 3.070 1.00 0.00 H new ATOM 0 HD21 LEU B 84 23.512 19.695 2.720 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.758 19.364 4.298 1.00 0.00 H new ATOM 0 HD23 LEU B 84 24.417 18.810 3.971 1.00 0.00 H new ATOM 1223 N ARG B 85 20.144 15.345 5.450 1.00 0.00 N ATOM 1224 CA ARG B 85 19.482 14.155 5.965 1.00 0.00 C ATOM 1225 C ARG B 85 19.194 13.201 4.817 1.00 0.00 C ATOM 1226 O ARG B 85 18.415 13.513 3.922 1.00 0.00 O ATOM 1227 CB ARG B 85 18.195 14.550 6.692 1.00 0.00 C ATOM 1228 CG ARG B 85 18.479 15.568 7.795 1.00 0.00 C ATOM 1229 CD ARG B 85 17.179 15.934 8.515 1.00 0.00 C ATOM 1230 NE ARG B 85 17.408 16.958 9.539 1.00 0.00 N ATOM 1231 CZ ARG B 85 16.542 17.932 9.832 1.00 0.00 C ATOM 1232 NH1 ARG B 85 15.368 18.014 9.206 1.00 0.00 N ATOM 1233 NH2 ARG B 85 16.852 18.830 10.760 1.00 0.00 N ATOM 0 H ARG B 85 19.665 15.776 4.659 1.00 0.00 H new ATOM 0 HA ARG B 85 20.132 13.650 6.680 1.00 0.00 H new ATOM 0 HB2 ARG B 85 17.485 14.969 5.979 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.729 13.663 7.122 1.00 0.00 H new ATOM 0 HG2 ARG B 85 19.195 15.156 8.506 1.00 0.00 H new ATOM 0 HG3 ARG B 85 18.932 16.463 7.368 1.00 0.00 H new ATOM 0 HD2 ARG B 85 16.450 16.297 7.791 1.00 0.00 H new ATOM 0 HD3 ARG B 85 16.753 15.043 8.977 1.00 0.00 H new ATOM 0 HE ARG B 85 18.284 16.925 10.061 1.00 0.00 H new ATOM 0 HH11 ARG B 85 15.121 17.328 8.493 1.00 0.00 H new ATOM 0 HH12 ARG B 85 14.716 18.763 9.440 1.00 0.00 H new ATOM 0 HH21 ARG B 85 17.748 18.774 11.245 1.00 0.00 H new ATOM 0 HH22 ARG B 85 16.195 19.576 10.988 1.00 0.00 H new ATOM 1247 N VAL B 86 19.836 12.029 4.854 1.00 0.00 N ATOM 1248 CA VAL B 86 19.632 10.978 3.869 1.00 0.00 C ATOM 1249 C VAL B 86 19.697 9.630 4.572 1.00 0.00 C ATOM 1250 O VAL B 86 20.745 8.996 4.610 1.00 0.00 O ATOM 1251 CB VAL B 86 20.677 11.075 2.745 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.360 10.046 1.660 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.688 12.471 2.116 1.00 0.00 C ATOM 0 H VAL B 86 20.515 11.788 5.576 1.00 0.00 H new ATOM 0 HA VAL B 86 18.652 11.092 3.405 1.00 0.00 H new ATOM 0 HB VAL B 86 21.657 10.879 3.179 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.102 10.116 0.864 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.383 9.045 2.090 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.369 10.242 1.251 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.437 12.508 1.325 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.706 12.689 1.696 1.00 0.00 H new ATOM 0 HG23 VAL B 86 20.929 13.212 2.878 1.00 0.00 H new ATOM 1263 N GLU B 87 18.571 9.190 5.131 1.00 0.00 N ATOM 1264 CA GLU B 87 18.524 7.970 5.924 1.00 0.00 C ATOM 1265 C GLU B 87 17.164 7.295 5.789 1.00 0.00 C ATOM 1266 O GLU B 87 16.208 7.903 5.317 1.00 0.00 O ATOM 1267 CB GLU B 87 18.810 8.309 7.391 1.00 0.00 C ATOM 1268 CG GLU B 87 17.729 9.238 7.958 1.00 0.00 C ATOM 1269 CD GLU B 87 17.925 9.507 9.453 1.00 0.00 C ATOM 1270 OE1 GLU B 87 18.886 8.945 10.030 1.00 0.00 O ATOM 1271 OE2 GLU B 87 17.106 10.277 10.006 1.00 0.00 O ATOM 0 H GLU B 87 17.674 9.667 5.046 1.00 0.00 H new ATOM 0 HA GLU B 87 19.282 7.276 5.559 1.00 0.00 H new ATOM 0 HB2 GLU B 87 18.852 7.392 7.979 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.786 8.787 7.475 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.743 10.183 7.415 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.748 8.792 7.796 1.00 0.00 H new ATOM 1278 N PHE B 88 17.074 6.032 6.207 1.00 0.00 N ATOM 1279 CA PHE B 88 15.814 5.306 6.239 1.00 0.00 C ATOM 1280 C PHE B 88 14.961 5.604 7.477 1.00 0.00 C ATOM 1281 O PHE B 88 15.494 6.028 8.504 1.00 0.00 O ATOM 1282 CB PHE B 88 16.040 3.808 6.027 1.00 0.00 C ATOM 1283 CG PHE B 88 17.301 3.287 6.678 1.00 0.00 C ATOM 1284 CD1 PHE B 88 18.508 3.284 5.970 1.00 0.00 C ATOM 1285 CD2 PHE B 88 17.258 2.803 7.994 1.00 0.00 C ATOM 1286 CE1 PHE B 88 19.675 2.797 6.576 1.00 0.00 C ATOM 1287 CE2 PHE B 88 18.423 2.316 8.600 1.00 0.00 C ATOM 1288 CZ PHE B 88 19.634 2.313 7.891 1.00 0.00 C ATOM 0 H PHE B 88 17.874 5.488 6.531 1.00 0.00 H new ATOM 0 HA PHE B 88 15.222 5.676 5.402 1.00 0.00 H new ATOM 0 HB2 PHE B 88 15.184 3.261 6.422 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.082 3.603 4.957 1.00 0.00 H new ATOM 0 HD1 PHE B 88 18.541 3.657 4.957 1.00 0.00 H new ATOM 0 HD2 PHE B 88 16.326 2.806 8.540 1.00 0.00 H new ATOM 0 HE1 PHE B 88 20.606 2.795 6.029 1.00 0.00 H new ATOM 0 HE2 PHE B 88 18.389 1.943 9.613 1.00 0.00 H new ATOM 0 HZ PHE B 88 20.533 1.938 8.358 1.00 0.00 H new ATOM 1298 N PRO B 89 13.638 5.388 7.393 1.00 0.00 N ATOM 1299 CA PRO B 89 12.714 5.579 8.498 1.00 0.00 C ATOM 1300 C PRO B 89 13.140 4.783 9.734 1.00 0.00 C ATOM 1301 O PRO B 89 13.469 3.587 9.562 1.00 0.00 O ATOM 1302 CB PRO B 89 11.352 5.120 7.987 1.00 0.00 C ATOM 1303 CG PRO B 89 11.465 5.229 6.468 1.00 0.00 C ATOM 1304 CD PRO B 89 12.941 4.963 6.196 1.00 0.00 C ATOM 0 HA PRO B 89 12.691 6.622 8.813 1.00 0.00 H new ATOM 0 HB2 PRO B 89 11.134 4.098 8.298 1.00 0.00 H new ATOM 0 HB3 PRO B 89 10.549 5.749 8.373 1.00 0.00 H new ATOM 0 HG2 PRO B 89 10.828 4.501 5.966 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.164 6.215 6.114 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.118 3.907 5.993 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.285 5.518 5.323 1.00 0.00 H new