USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 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 Set 1.1: A 32 ASN : amide:sc= -0.736 K(o=-1.7,f=-3.2) USER MOD Set 1.2: A 76 MET CE :methyl -151:sc= -0.993 (180deg=-0.504) USER MOD Single : A 15 LYS NZ :NH3+ 130:sc= -0.0667 (180deg=-1.02) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00411) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 169:sc= -1.07 (180deg=-1.51) USER MOD Single : A 37 TYR OH : rot -130:sc= -1.21 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.41 USER MOD Single : A 43 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.28) USER MOD Single : A 45 THR OG1 : rot -65:sc= -0.0643 USER MOD Single : A 47 GLN : amide:sc= -2.07 X(o=-2.1,f=-2.3!) USER MOD Single : A 51 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -135:sc= 0.0139 USER MOD Single : A 67 SER OG : rot -33:sc= 0.492 USER MOD Single : A 69 ASN : amide:sc= -2.76! X(o=-2.8!,f=-2.9) USER MOD Single : A 71 GLN : amide:sc= 0.00175 X(o=0.0018,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= -1.68 (180deg=-2.12) USER MOD Single : A 82 MET CE :methyl 140:sc= -0.956 (180deg=-2.62!) USER MOD ----------------------------------------------------------------- ATOM 178 N LYS A 15 20.478 4.724 -27.626 1.00 0.00 N ATOM 179 CA LYS A 15 21.628 5.225 -28.367 1.00 0.00 C ATOM 180 C LYS A 15 21.669 6.750 -28.341 1.00 0.00 C ATOM 181 O LYS A 15 22.737 7.348 -28.209 1.00 0.00 O ATOM 182 CB LYS A 15 21.583 4.731 -29.815 1.00 0.00 C ATOM 183 CG LYS A 15 22.619 5.384 -30.713 1.00 0.00 C ATOM 184 CD LYS A 15 22.739 4.660 -32.044 1.00 0.00 C ATOM 185 CE LYS A 15 23.743 3.520 -31.969 1.00 0.00 C ATOM 186 NZ LYS A 15 23.095 2.235 -31.585 1.00 0.00 N ATOM 0 HA LYS A 15 22.531 4.846 -27.888 1.00 0.00 H new ATOM 0 HB2 LYS A 15 21.733 3.651 -29.827 1.00 0.00 H new ATOM 0 HB3 LYS A 15 20.590 4.919 -30.223 1.00 0.00 H new ATOM 0 HG2 LYS A 15 22.347 6.425 -30.887 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.587 5.387 -30.211 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.764 4.269 -32.336 1.00 0.00 H new ATOM 0 HD3 LYS A 15 23.045 5.365 -32.817 1.00 0.00 H new ATOM 0 HE2 LYS A 15 24.234 3.405 -32.935 1.00 0.00 H new ATOM 0 HE3 LYS A 15 24.519 3.766 -31.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 23.380 1.490 -32.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.390 1.971 -30.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.061 2.346 -31.611 1.00 0.00 H new ATOM 200 N GLU A 16 20.501 7.372 -28.467 1.00 0.00 N ATOM 201 CA GLU A 16 20.405 8.827 -28.457 1.00 0.00 C ATOM 202 C GLU A 16 20.201 9.348 -27.037 1.00 0.00 C ATOM 203 O GLU A 16 20.948 10.206 -26.566 1.00 0.00 O ATOM 204 CB GLU A 16 19.255 9.291 -29.353 1.00 0.00 C ATOM 205 CG GLU A 16 18.135 8.272 -29.481 1.00 0.00 C ATOM 206 CD GLU A 16 16.937 8.815 -30.236 1.00 0.00 C ATOM 207 OE1 GLU A 16 17.142 9.549 -31.225 1.00 0.00 O ATOM 208 OE2 GLU A 16 15.794 8.507 -29.837 1.00 0.00 O ATOM 0 H GLU A 16 19.608 6.891 -28.577 1.00 0.00 H new ATOM 0 HA GLU A 16 21.341 9.230 -28.843 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.846 10.219 -28.954 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.646 9.515 -30.345 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.511 7.386 -29.993 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.820 7.956 -28.486 1.00 0.00 H new ATOM 215 N VAL A 17 19.184 8.824 -26.361 1.00 0.00 N ATOM 216 CA VAL A 17 18.881 9.236 -24.995 1.00 0.00 C ATOM 217 C VAL A 17 19.027 10.744 -24.831 1.00 0.00 C ATOM 218 O VAL A 17 19.267 11.239 -23.730 1.00 0.00 O ATOM 219 CB VAL A 17 19.798 8.529 -23.980 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.202 9.110 -24.033 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.220 8.636 -22.576 1.00 0.00 C ATOM 0 H VAL A 17 18.556 8.113 -26.736 1.00 0.00 H new ATOM 0 HA VAL A 17 17.847 8.951 -24.800 1.00 0.00 H new ATOM 0 HB VAL A 17 19.858 7.473 -24.244 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.835 8.598 -23.309 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.614 8.976 -25.033 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.165 10.173 -23.795 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.881 8.131 -21.871 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.129 9.686 -22.299 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.236 8.167 -22.551 1.00 0.00 H new ATOM 231 N VAL A 18 18.878 11.472 -25.934 1.00 0.00 N ATOM 232 CA VAL A 18 18.992 12.925 -25.912 1.00 0.00 C ATOM 233 C VAL A 18 17.681 13.585 -26.326 1.00 0.00 C ATOM 234 O VAL A 18 17.281 14.603 -25.762 1.00 0.00 O ATOM 235 CB VAL A 18 20.117 13.414 -26.843 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.474 12.968 -26.322 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.890 12.912 -28.261 1.00 0.00 C ATOM 0 H VAL A 18 18.678 11.079 -26.854 1.00 0.00 H new ATOM 0 HA VAL A 18 19.231 13.209 -24.887 1.00 0.00 H new ATOM 0 HB VAL A 18 20.102 14.504 -26.860 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.256 13.323 -26.993 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.635 13.381 -25.326 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.505 11.880 -26.272 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.694 13.267 -28.906 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.877 11.822 -28.263 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.936 13.287 -28.631 1.00 0.00 H new ATOM 247 N TYR A 19 17.016 12.998 -27.315 1.00 0.00 N ATOM 248 CA TYR A 19 15.751 13.530 -27.807 1.00 0.00 C ATOM 249 C TYR A 19 14.579 12.988 -26.993 1.00 0.00 C ATOM 250 O TYR A 19 13.418 13.244 -27.312 1.00 0.00 O ATOM 251 CB TYR A 19 15.566 13.178 -29.284 1.00 0.00 C ATOM 252 CG TYR A 19 16.799 13.425 -30.124 1.00 0.00 C ATOM 253 CD1 TYR A 19 17.063 14.683 -30.653 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.699 12.401 -30.389 1.00 0.00 C ATOM 255 CE1 TYR A 19 18.188 14.913 -31.421 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.827 12.622 -31.156 1.00 0.00 C ATOM 257 CZ TYR A 19 19.067 13.879 -31.669 1.00 0.00 C ATOM 258 OH TYR A 19 20.189 14.103 -32.434 1.00 0.00 O ATOM 0 H TYR A 19 17.332 12.153 -27.792 1.00 0.00 H new ATOM 0 HA TYR A 19 15.775 14.614 -27.699 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.285 12.128 -29.366 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.739 13.762 -29.687 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.377 15.494 -30.460 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.514 11.415 -29.989 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.378 15.896 -31.825 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.517 11.815 -31.353 1.00 0.00 H new ATOM 0 HH TYR A 19 20.703 13.272 -32.512 1.00 0.00 H new ATOM 268 N TRP A 20 14.894 12.240 -25.942 1.00 0.00 N ATOM 269 CA TRP A 20 13.868 11.663 -25.081 1.00 0.00 C ATOM 270 C TRP A 20 12.907 12.737 -24.583 1.00 0.00 C ATOM 271 O TRP A 20 13.043 13.912 -24.926 1.00 0.00 O ATOM 272 CB TRP A 20 14.513 10.948 -23.893 1.00 0.00 C ATOM 273 CG TRP A 20 14.981 9.561 -24.217 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.932 8.943 -25.434 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.566 8.620 -23.310 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.452 7.675 -25.339 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.849 7.453 -24.047 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.881 8.651 -21.949 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.430 6.329 -23.465 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.457 7.534 -21.374 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.727 6.387 -22.131 1.00 0.00 C ATOM 0 H TRP A 20 15.851 12.019 -25.666 1.00 0.00 H new ATOM 0 HA TRP A 20 13.302 10.940 -25.668 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.360 11.536 -23.540 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.795 10.900 -23.074 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.542 9.386 -26.338 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.530 7.007 -26.106 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.678 9.531 -21.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.639 5.443 -24.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.703 7.546 -20.323 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.179 5.531 -21.652 1.00 0.00 H new ATOM 292 N SER A 21 11.937 12.328 -23.772 1.00 0.00 N ATOM 293 CA SER A 21 10.951 13.255 -23.229 1.00 0.00 C ATOM 294 C SER A 21 11.147 13.438 -21.727 1.00 0.00 C ATOM 295 O SER A 21 11.870 12.686 -21.073 1.00 0.00 O ATOM 296 CB SER A 21 9.535 12.752 -23.513 1.00 0.00 C ATOM 297 OG SER A 21 8.981 13.399 -24.645 1.00 0.00 O ATOM 0 H SER A 21 11.813 11.360 -23.476 1.00 0.00 H new ATOM 0 HA SER A 21 11.090 14.220 -23.716 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.555 11.675 -23.679 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.902 12.928 -22.643 1.00 0.00 H new ATOM 0 HG SER A 21 8.076 13.058 -24.806 1.00 0.00 H new ATOM 303 N PRO A 22 10.487 14.463 -21.166 1.00 0.00 N ATOM 304 CA PRO A 22 10.572 14.769 -19.735 1.00 0.00 C ATOM 305 C PRO A 22 9.874 13.721 -18.875 1.00 0.00 C ATOM 306 O PRO A 22 10.056 13.680 -17.658 1.00 0.00 O ATOM 307 CB PRO A 22 9.857 16.118 -19.619 1.00 0.00 C ATOM 308 CG PRO A 22 8.923 16.153 -20.778 1.00 0.00 C ATOM 309 CD PRO A 22 9.608 15.399 -21.885 1.00 0.00 C ATOM 0 HA PRO A 22 11.603 14.785 -19.382 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.319 16.201 -18.675 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.565 16.946 -19.656 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.969 15.692 -20.524 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.711 17.179 -21.078 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.892 14.873 -22.516 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.176 16.066 -22.534 1.00 0.00 H new ATOM 317 N LYS A 23 9.075 12.874 -19.515 1.00 0.00 N ATOM 318 CA LYS A 23 8.351 11.823 -18.810 1.00 0.00 C ATOM 319 C LYS A 23 9.106 10.500 -18.882 1.00 0.00 C ATOM 320 O LYS A 23 8.961 9.642 -18.010 1.00 0.00 O ATOM 321 CB LYS A 23 6.950 11.656 -19.401 1.00 0.00 C ATOM 322 CG LYS A 23 6.080 12.894 -19.262 1.00 0.00 C ATOM 323 CD LYS A 23 5.619 13.094 -17.828 1.00 0.00 C ATOM 324 CE LYS A 23 4.304 13.856 -17.766 1.00 0.00 C ATOM 325 NZ LYS A 23 3.143 12.986 -18.099 1.00 0.00 N ATOM 0 H LYS A 23 8.912 12.895 -20.522 1.00 0.00 H new ATOM 0 HA LYS A 23 8.265 12.115 -17.763 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.038 11.401 -20.457 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.455 10.818 -18.911 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.638 13.771 -19.591 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.212 12.805 -19.915 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.502 12.124 -17.344 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.382 13.638 -17.272 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.172 14.271 -16.767 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.338 14.697 -18.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.381 13.565 -18.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.436 12.265 -18.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.800 12.519 -17.235 1.00 0.00 H new ATOM 339 N LYS A 24 9.912 10.340 -19.926 1.00 0.00 N ATOM 340 CA LYS A 24 10.692 9.122 -20.111 1.00 0.00 C ATOM 341 C LYS A 24 11.914 9.113 -19.198 1.00 0.00 C ATOM 342 O LYS A 24 12.142 8.155 -18.459 1.00 0.00 O ATOM 343 CB LYS A 24 11.132 8.991 -21.571 1.00 0.00 C ATOM 344 CG LYS A 24 12.318 8.063 -21.768 1.00 0.00 C ATOM 345 CD LYS A 24 12.061 6.693 -21.163 1.00 0.00 C ATOM 346 CE LYS A 24 12.792 5.600 -21.927 1.00 0.00 C ATOM 347 NZ LYS A 24 11.966 5.052 -23.038 1.00 0.00 N ATOM 0 H LYS A 24 10.042 11.039 -20.657 1.00 0.00 H new ATOM 0 HA LYS A 24 10.060 8.273 -19.850 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.293 8.625 -22.163 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.387 9.979 -21.955 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.526 7.958 -22.833 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.205 8.503 -21.312 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.383 6.688 -20.122 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.991 6.487 -21.167 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.723 5.999 -22.329 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.060 4.795 -21.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.500 4.310 -23.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.089 4.648 -22.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.732 5.815 -23.705 1.00 0.00 H new ATOM 361 N VAL A 25 12.696 10.187 -19.253 1.00 0.00 N ATOM 362 CA VAL A 25 13.893 10.303 -18.430 1.00 0.00 C ATOM 363 C VAL A 25 13.657 9.738 -17.034 1.00 0.00 C ATOM 364 O VAL A 25 14.566 9.185 -16.415 1.00 0.00 O ATOM 365 CB VAL A 25 14.350 11.769 -18.308 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.519 11.886 -17.341 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.719 12.327 -19.674 1.00 0.00 C ATOM 0 H VAL A 25 12.521 10.989 -19.859 1.00 0.00 H new ATOM 0 HA VAL A 25 14.675 9.726 -18.925 1.00 0.00 H new ATOM 0 HB VAL A 25 13.522 12.358 -17.912 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.828 12.929 -17.268 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.215 11.528 -16.357 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.353 11.285 -17.704 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.040 13.364 -19.569 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.531 11.738 -20.101 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.852 12.280 -20.333 1.00 0.00 H new ATOM 377 N ALA A 26 12.430 9.881 -16.543 1.00 0.00 N ATOM 378 CA ALA A 26 12.074 9.382 -15.220 1.00 0.00 C ATOM 379 C ALA A 26 11.974 7.861 -15.216 1.00 0.00 C ATOM 380 O ALA A 26 12.697 7.184 -14.485 1.00 0.00 O ATOM 381 CB ALA A 26 10.762 10.001 -14.759 1.00 0.00 C ATOM 0 H ALA A 26 11.666 10.338 -17.041 1.00 0.00 H new ATOM 0 HA ALA A 26 12.863 9.669 -14.525 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.508 9.620 -13.770 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.867 11.085 -14.714 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.971 9.742 -15.462 1.00 0.00 H new ATOM 387 N ASP A 27 11.073 7.330 -16.036 1.00 0.00 N ATOM 388 CA ASP A 27 10.878 5.887 -16.126 1.00 0.00 C ATOM 389 C ASP A 27 12.217 5.156 -16.116 1.00 0.00 C ATOM 390 O ASP A 27 12.331 4.057 -15.574 1.00 0.00 O ATOM 391 CB ASP A 27 10.101 5.535 -17.395 1.00 0.00 C ATOM 392 CG ASP A 27 8.602 5.518 -17.170 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.149 4.815 -16.242 1.00 0.00 O ATOM 394 OD2 ASP A 27 7.881 6.208 -17.921 1.00 0.00 O ATOM 0 H ASP A 27 10.467 7.877 -16.647 1.00 0.00 H new ATOM 0 HA ASP A 27 10.304 5.568 -15.256 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.340 6.257 -18.176 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.423 4.558 -17.755 1.00 0.00 H new ATOM 399 N TRP A 28 13.227 5.774 -16.718 1.00 0.00 N ATOM 400 CA TRP A 28 14.559 5.182 -16.778 1.00 0.00 C ATOM 401 C TRP A 28 15.189 5.117 -15.391 1.00 0.00 C ATOM 402 O TRP A 28 15.844 4.135 -15.041 1.00 0.00 O ATOM 403 CB TRP A 28 15.455 5.985 -17.722 1.00 0.00 C ATOM 404 CG TRP A 28 16.869 5.491 -17.763 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.327 4.369 -18.392 1.00 0.00 C ATOM 406 CD2 TRP A 28 18.008 6.102 -17.148 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.682 4.245 -18.205 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.125 5.296 -17.446 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.195 7.252 -16.377 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.406 5.605 -16.998 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.467 7.557 -15.933 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.560 6.737 -16.245 1.00 0.00 C ATOM 0 H TRP A 28 13.149 6.684 -17.171 1.00 0.00 H new ATOM 0 HA TRP A 28 14.461 4.166 -17.160 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.036 5.949 -18.728 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.452 7.030 -17.413 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.714 3.680 -18.954 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.264 3.492 -18.572 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.360 7.891 -16.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.249 4.973 -17.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.622 8.443 -15.335 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.542 7.004 -15.884 1.00 0.00 H new ATOM 423 N LEU A 29 14.988 6.169 -14.605 1.00 0.00 N ATOM 424 CA LEU A 29 15.537 6.232 -13.255 1.00 0.00 C ATOM 425 C LEU A 29 14.989 5.101 -12.391 1.00 0.00 C ATOM 426 O LEU A 29 15.742 4.259 -11.900 1.00 0.00 O ATOM 427 CB LEU A 29 15.214 7.582 -12.614 1.00 0.00 C ATOM 428 CG LEU A 29 15.779 8.814 -13.321 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.116 10.080 -12.802 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.289 8.888 -13.140 1.00 0.00 C ATOM 0 H LEU A 29 14.449 6.990 -14.879 1.00 0.00 H new ATOM 0 HA LEU A 29 16.619 6.120 -13.324 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.130 7.685 -12.559 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.586 7.573 -11.590 1.00 0.00 H new ATOM 0 HG LEU A 29 15.564 8.727 -14.386 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.532 10.946 -13.317 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.043 10.030 -12.985 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.298 10.173 -11.731 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.674 9.771 -13.650 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.525 8.950 -12.078 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.750 7.995 -13.563 1.00 0.00 H new ATOM 442 N LEU A 30 13.673 5.087 -12.210 1.00 0.00 N ATOM 443 CA LEU A 30 13.022 4.058 -11.407 1.00 0.00 C ATOM 444 C LEU A 30 13.373 2.665 -11.918 1.00 0.00 C ATOM 445 O LEU A 30 13.456 1.712 -11.144 1.00 0.00 O ATOM 446 CB LEU A 30 11.505 4.253 -11.425 1.00 0.00 C ATOM 447 CG LEU A 30 11.011 5.693 -11.283 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.938 6.488 -10.377 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.899 6.355 -12.649 1.00 0.00 C ATOM 0 H LEU A 30 13.036 5.777 -12.609 1.00 0.00 H new ATOM 0 HA LEU A 30 13.382 4.150 -10.382 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.118 3.848 -12.360 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.073 3.661 -10.618 1.00 0.00 H new ATOM 0 HG LEU A 30 10.021 5.675 -10.828 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.571 7.510 -10.288 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.967 6.025 -9.390 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.941 6.499 -10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.546 7.379 -12.529 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.877 6.362 -13.131 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.194 5.798 -13.266 1.00 0.00 H new ATOM 461 N GLU A 31 13.581 2.555 -13.227 1.00 0.00 N ATOM 462 CA GLU A 31 13.926 1.278 -13.840 1.00 0.00 C ATOM 463 C GLU A 31 15.201 0.706 -13.228 1.00 0.00 C ATOM 464 O GLU A 31 15.460 -0.493 -13.315 1.00 0.00 O ATOM 465 CB GLU A 31 14.102 1.444 -15.351 1.00 0.00 C ATOM 466 CG GLU A 31 14.886 0.316 -16.000 1.00 0.00 C ATOM 467 CD GLU A 31 14.161 -1.014 -15.929 1.00 0.00 C ATOM 468 OE1 GLU A 31 13.480 -1.266 -14.913 1.00 0.00 O ATOM 469 OE2 GLU A 31 14.275 -1.803 -16.891 1.00 0.00 O ATOM 0 H GLU A 31 13.517 3.334 -13.882 1.00 0.00 H new ATOM 0 HA GLU A 31 13.110 0.581 -13.650 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.119 1.508 -15.818 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.610 2.388 -15.548 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.078 0.566 -17.043 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.856 0.224 -15.510 1.00 0.00 H new ATOM 476 N ASN A 32 15.994 1.575 -12.608 1.00 0.00 N ATOM 477 CA ASN A 32 17.243 1.158 -11.982 1.00 0.00 C ATOM 478 C ASN A 32 17.255 1.520 -10.499 1.00 0.00 C ATOM 479 O ASN A 32 18.309 1.544 -9.865 1.00 0.00 O ATOM 480 CB ASN A 32 18.434 1.809 -12.687 1.00 0.00 C ATOM 481 CG ASN A 32 18.479 1.482 -14.167 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.899 0.394 -14.561 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.046 2.426 -14.995 1.00 0.00 N ATOM 0 H ASN A 32 15.793 2.572 -12.526 1.00 0.00 H new ATOM 0 HA ASN A 32 17.323 0.075 -12.075 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.383 2.890 -12.558 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.358 1.475 -12.216 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.053 2.264 -16.002 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.706 3.313 -14.624 1.00 0.00 H new ATOM 490 N ALA A 33 16.075 1.799 -9.955 1.00 0.00 N ATOM 491 CA ALA A 33 15.950 2.157 -8.547 1.00 0.00 C ATOM 492 C ALA A 33 16.600 3.506 -8.263 1.00 0.00 C ATOM 493 O ALA A 33 17.403 3.637 -7.339 1.00 0.00 O ATOM 494 CB ALA A 33 16.566 1.076 -7.671 1.00 0.00 C ATOM 0 H ALA A 33 15.193 1.784 -10.467 1.00 0.00 H new ATOM 0 HA ALA A 33 14.889 2.239 -8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.466 1.356 -6.622 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.052 0.130 -7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.622 0.966 -7.918 1.00 0.00 H new ATOM 500 N MET A 34 16.249 4.507 -9.064 1.00 0.00 N ATOM 501 CA MET A 34 16.801 5.847 -8.898 1.00 0.00 C ATOM 502 C MET A 34 15.687 6.884 -8.793 1.00 0.00 C ATOM 503 O MET A 34 15.716 7.929 -9.443 1.00 0.00 O ATOM 504 CB MET A 34 17.724 6.190 -10.069 1.00 0.00 C ATOM 505 CG MET A 34 18.724 5.093 -10.396 1.00 0.00 C ATOM 506 SD MET A 34 20.262 5.737 -11.083 1.00 0.00 S ATOM 507 CE MET A 34 19.825 5.881 -12.814 1.00 0.00 C ATOM 0 H MET A 34 15.586 4.416 -9.834 1.00 0.00 H new ATOM 0 HA MET A 34 17.378 5.864 -7.973 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.118 6.392 -10.952 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.266 7.107 -9.837 1.00 0.00 H new ATOM 0 HG2 MET A 34 18.944 4.526 -9.491 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.276 4.398 -11.107 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.597 6.445 -13.338 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.741 4.886 -13.252 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.871 6.400 -12.906 1.00 0.00 H new ATOM 517 N PRO A 35 14.681 6.591 -7.956 1.00 0.00 N ATOM 518 CA PRO A 35 13.538 7.485 -7.747 1.00 0.00 C ATOM 519 C PRO A 35 13.925 8.753 -6.994 1.00 0.00 C ATOM 520 O PRO A 35 13.104 9.651 -6.811 1.00 0.00 O ATOM 521 CB PRO A 35 12.574 6.640 -6.911 1.00 0.00 C ATOM 522 CG PRO A 35 13.445 5.656 -6.208 1.00 0.00 C ATOM 523 CD PRO A 35 14.581 5.363 -7.148 1.00 0.00 C ATOM 0 HA PRO A 35 13.114 7.832 -8.689 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.020 7.256 -6.202 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.839 6.139 -7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.813 6.063 -5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.893 4.747 -5.968 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.506 5.160 -6.609 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.375 4.490 -7.767 1.00 0.00 H new ATOM 531 N GLU A 36 15.180 8.819 -6.561 1.00 0.00 N ATOM 532 CA GLU A 36 15.674 9.978 -5.826 1.00 0.00 C ATOM 533 C GLU A 36 16.071 11.099 -6.782 1.00 0.00 C ATOM 534 O GLU A 36 16.100 12.271 -6.404 1.00 0.00 O ATOM 535 CB GLU A 36 16.870 9.587 -4.956 1.00 0.00 C ATOM 536 CG GLU A 36 18.086 9.147 -5.755 1.00 0.00 C ATOM 537 CD GLU A 36 19.194 8.599 -4.877 1.00 0.00 C ATOM 538 OE1 GLU A 36 19.401 9.143 -3.772 1.00 0.00 O ATOM 539 OE2 GLU A 36 19.854 7.624 -5.295 1.00 0.00 O ATOM 0 H GLU A 36 15.873 8.084 -6.706 1.00 0.00 H new ATOM 0 HA GLU A 36 14.870 10.339 -5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.145 10.435 -4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.573 8.779 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.787 8.385 -6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.466 9.993 -6.327 1.00 0.00 H new ATOM 546 N TYR A 37 16.378 10.731 -8.021 1.00 0.00 N ATOM 547 CA TYR A 37 16.777 11.704 -9.031 1.00 0.00 C ATOM 548 C TYR A 37 15.577 12.151 -9.861 1.00 0.00 C ATOM 549 O TYR A 37 15.663 13.109 -10.631 1.00 0.00 O ATOM 550 CB TYR A 37 17.851 11.111 -9.944 1.00 0.00 C ATOM 551 CG TYR A 37 19.193 10.939 -9.269 1.00 0.00 C ATOM 552 CD1 TYR A 37 19.976 12.040 -8.945 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.677 9.676 -8.954 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.203 11.887 -8.329 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.902 9.513 -8.336 1.00 0.00 C ATOM 556 CZ TYR A 37 21.661 10.622 -8.027 1.00 0.00 C ATOM 557 OH TYR A 37 22.882 10.466 -7.411 1.00 0.00 O ATOM 0 H TYR A 37 16.358 9.766 -8.350 1.00 0.00 H new ATOM 0 HA TYR A 37 17.186 12.575 -8.519 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.511 10.142 -10.309 1.00 0.00 H new ATOM 0 HB3 TYR A 37 17.972 11.755 -10.815 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.619 13.032 -9.179 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.085 8.806 -9.196 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.800 12.753 -8.085 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.263 8.524 -8.097 1.00 0.00 H new ATOM 0 HH TYR A 37 23.412 9.802 -7.899 1.00 0.00 H new ATOM 567 N CYS A 38 14.460 11.452 -9.698 1.00 0.00 N ATOM 568 CA CYS A 38 13.241 11.775 -10.432 1.00 0.00 C ATOM 569 C CYS A 38 12.795 13.204 -10.141 1.00 0.00 C ATOM 570 O CYS A 38 12.345 13.918 -11.036 1.00 0.00 O ATOM 571 CB CYS A 38 12.126 10.795 -10.066 1.00 0.00 C ATOM 572 SG CYS A 38 10.921 10.523 -11.386 1.00 0.00 S ATOM 0 H CYS A 38 14.372 10.658 -9.064 1.00 0.00 H new ATOM 0 HA CYS A 38 13.454 11.690 -11.498 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.572 9.839 -9.793 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.605 11.167 -9.184 1.00 0.00 H new ATOM 0 HG CYS A 38 10.019 9.678 -10.983 1.00 0.00 H new ATOM 578 N GLU A 39 12.920 13.614 -8.882 1.00 0.00 N ATOM 579 CA GLU A 39 12.528 14.957 -8.474 1.00 0.00 C ATOM 580 C GLU A 39 13.284 16.012 -9.275 1.00 0.00 C ATOM 581 O GLU A 39 12.696 16.838 -9.974 1.00 0.00 O ATOM 582 CB GLU A 39 12.785 15.155 -6.978 1.00 0.00 C ATOM 583 CG GLU A 39 11.571 14.872 -6.109 1.00 0.00 C ATOM 584 CD GLU A 39 10.724 16.106 -5.870 1.00 0.00 C ATOM 585 OE1 GLU A 39 9.907 16.444 -6.752 1.00 0.00 O ATOM 586 OE2 GLU A 39 10.877 16.734 -4.802 1.00 0.00 O ATOM 0 H GLU A 39 13.290 13.035 -8.128 1.00 0.00 H new ATOM 0 HA GLU A 39 11.462 15.072 -8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.602 14.503 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.113 16.180 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.961 14.103 -6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.901 14.471 -5.151 1.00 0.00 H new ATOM 593 N PRO A 40 14.622 15.986 -9.173 1.00 0.00 N ATOM 594 CA PRO A 40 15.488 16.933 -9.881 1.00 0.00 C ATOM 595 C PRO A 40 15.501 16.693 -11.386 1.00 0.00 C ATOM 596 O PRO A 40 15.825 17.590 -12.166 1.00 0.00 O ATOM 597 CB PRO A 40 16.872 16.662 -9.284 1.00 0.00 C ATOM 598 CG PRO A 40 16.808 15.252 -8.806 1.00 0.00 C ATOM 599 CD PRO A 40 15.390 15.030 -8.358 1.00 0.00 C ATOM 0 HA PRO A 40 15.151 17.962 -9.761 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.657 16.792 -10.029 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.092 17.348 -8.466 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.079 14.558 -9.601 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.507 15.086 -7.986 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.069 14.003 -8.534 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.270 15.223 -7.292 1.00 0.00 H new ATOM 607 N LEU A 41 15.148 15.478 -11.790 1.00 0.00 N ATOM 608 CA LEU A 41 15.119 15.119 -13.204 1.00 0.00 C ATOM 609 C LEU A 41 13.687 15.077 -13.726 1.00 0.00 C ATOM 610 O LEU A 41 13.443 14.673 -14.862 1.00 0.00 O ATOM 611 CB LEU A 41 15.793 13.763 -13.420 1.00 0.00 C ATOM 612 CG LEU A 41 17.274 13.682 -13.046 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.767 12.246 -13.127 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.102 14.584 -13.949 1.00 0.00 C ATOM 0 H LEU A 41 14.878 14.724 -11.158 1.00 0.00 H new ATOM 0 HA LEU A 41 15.666 15.882 -13.758 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.251 13.014 -12.842 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.689 13.491 -14.470 1.00 0.00 H new ATOM 0 HG LEU A 41 17.389 14.026 -12.018 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.823 12.208 -12.858 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.194 11.625 -12.438 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.638 11.874 -14.143 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.153 14.514 -13.669 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.981 14.270 -14.986 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.766 15.615 -13.840 1.00 0.00 H new ATOM 626 N GLU A 42 12.744 15.498 -12.889 1.00 0.00 N ATOM 627 CA GLU A 42 11.336 15.509 -13.267 1.00 0.00 C ATOM 628 C GLU A 42 11.138 16.216 -14.606 1.00 0.00 C ATOM 629 O GLU A 42 10.384 15.750 -15.461 1.00 0.00 O ATOM 630 CB GLU A 42 10.500 16.197 -12.187 1.00 0.00 C ATOM 631 CG GLU A 42 10.852 17.661 -11.984 1.00 0.00 C ATOM 632 CD GLU A 42 10.263 18.232 -10.709 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.628 17.467 -9.953 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.436 19.445 -10.467 1.00 0.00 O ATOM 0 H GLU A 42 12.930 15.836 -11.945 1.00 0.00 H new ATOM 0 HA GLU A 42 11.005 14.475 -13.368 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.445 16.119 -12.451 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.632 15.666 -11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.936 17.770 -11.959 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.493 18.238 -12.836 1.00 0.00 H new ATOM 641 N HIS A 43 11.821 17.343 -14.780 1.00 0.00 N ATOM 642 CA HIS A 43 11.720 18.115 -16.013 1.00 0.00 C ATOM 643 C HIS A 43 13.014 18.026 -16.817 1.00 0.00 C ATOM 644 O HIS A 43 13.360 18.945 -17.559 1.00 0.00 O ATOM 645 CB HIS A 43 11.399 19.577 -15.701 1.00 0.00 C ATOM 646 CG HIS A 43 12.309 20.184 -14.677 1.00 0.00 C ATOM 647 ND1 HIS A 43 13.565 20.666 -14.979 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.138 20.387 -13.350 1.00 0.00 C ATOM 649 CE1 HIS A 43 14.128 21.138 -13.881 1.00 0.00 C ATOM 650 NE2 HIS A 43 13.283 20.982 -12.879 1.00 0.00 N ATOM 0 H HIS A 43 12.450 17.742 -14.083 1.00 0.00 H new ATOM 0 HA HIS A 43 10.912 17.694 -16.611 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.461 20.159 -16.621 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.370 19.647 -15.348 1.00 0.00 H new ATOM 0 HD2 HIS A 43 11.264 20.129 -12.770 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.113 21.577 -13.815 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.453 21.258 -11.912 1.00 0.00 H new ATOM 658 N PHE A 44 13.726 16.915 -16.662 1.00 0.00 N ATOM 659 CA PHE A 44 14.984 16.707 -17.371 1.00 0.00 C ATOM 660 C PHE A 44 14.766 15.877 -18.632 1.00 0.00 C ATOM 661 O PHE A 44 13.942 14.962 -18.654 1.00 0.00 O ATOM 662 CB PHE A 44 15.999 16.014 -16.459 1.00 0.00 C ATOM 663 CG PHE A 44 16.854 16.971 -15.678 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.277 17.893 -14.819 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.234 16.948 -15.802 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.062 18.774 -14.099 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.023 17.827 -15.085 1.00 0.00 C ATOM 668 CZ PHE A 44 18.436 18.741 -14.231 1.00 0.00 C ATOM 0 H PHE A 44 13.454 16.144 -16.052 1.00 0.00 H new ATOM 0 HA PHE A 44 15.374 17.682 -17.662 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.467 15.364 -15.764 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.642 15.375 -17.064 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.203 17.923 -14.711 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.698 16.235 -16.467 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.601 19.488 -13.433 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.097 17.800 -15.192 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.050 19.428 -13.668 1.00 0.00 H new ATOM 678 N THR A 45 15.511 16.204 -19.684 1.00 0.00 N ATOM 679 CA THR A 45 15.399 15.491 -20.951 1.00 0.00 C ATOM 680 C THR A 45 16.627 14.625 -21.205 1.00 0.00 C ATOM 681 O THR A 45 17.742 14.986 -20.830 1.00 0.00 O ATOM 682 CB THR A 45 15.220 16.466 -22.129 1.00 0.00 C ATOM 683 OG1 THR A 45 16.164 17.538 -22.027 1.00 0.00 O ATOM 684 CG2 THR A 45 13.807 17.030 -22.155 1.00 0.00 C ATOM 0 H THR A 45 16.198 16.958 -19.684 1.00 0.00 H new ATOM 0 HA THR A 45 14.518 14.854 -20.879 1.00 0.00 H new ATOM 0 HB THR A 45 15.393 15.917 -23.055 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.971 18.069 -21.226 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.705 17.716 -22.996 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.092 16.215 -22.263 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.611 17.564 -21.225 1.00 0.00 H new ATOM 692 N GLY A 46 16.416 13.480 -21.846 1.00 0.00 N ATOM 693 CA GLY A 46 17.516 12.579 -22.139 1.00 0.00 C ATOM 694 C GLY A 46 18.814 13.317 -22.400 1.00 0.00 C ATOM 695 O GLY A 46 19.879 12.885 -21.959 1.00 0.00 O ATOM 0 H GLY A 46 15.503 13.160 -22.168 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.653 11.893 -21.303 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.264 11.974 -23.010 1.00 0.00 H new ATOM 699 N GLN A 47 18.726 14.430 -23.120 1.00 0.00 N ATOM 700 CA GLN A 47 19.905 15.227 -23.441 1.00 0.00 C ATOM 701 C GLN A 47 20.497 15.854 -22.183 1.00 0.00 C ATOM 702 O GLN A 47 21.694 15.731 -21.921 1.00 0.00 O ATOM 703 CB GLN A 47 19.548 16.320 -24.451 1.00 0.00 C ATOM 704 CG GLN A 47 20.744 17.140 -24.907 1.00 0.00 C ATOM 705 CD GLN A 47 21.497 16.487 -26.049 1.00 0.00 C ATOM 706 OE1 GLN A 47 21.050 16.508 -27.196 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.649 15.902 -25.741 1.00 0.00 N ATOM 0 H GLN A 47 17.852 14.801 -23.492 1.00 0.00 H new ATOM 0 HA GLN A 47 20.651 14.566 -23.881 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.080 15.860 -25.321 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.809 16.987 -24.007 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.405 18.128 -25.218 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.422 17.286 -24.066 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.982 15.908 -24.777 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.200 15.447 -26.468 1.00 0.00 H new ATOM 716 N ASP A 48 19.652 16.526 -21.409 1.00 0.00 N ATOM 717 CA ASP A 48 20.092 17.171 -20.178 1.00 0.00 C ATOM 718 C ASP A 48 20.586 16.138 -19.170 1.00 0.00 C ATOM 719 O ASP A 48 21.583 16.356 -18.480 1.00 0.00 O ATOM 720 CB ASP A 48 18.951 17.990 -19.570 1.00 0.00 C ATOM 721 CG ASP A 48 18.703 19.283 -20.321 1.00 0.00 C ATOM 722 OD1 ASP A 48 19.611 20.141 -20.339 1.00 0.00 O ATOM 723 OD2 ASP A 48 17.602 19.439 -20.889 1.00 0.00 O ATOM 0 H ASP A 48 18.659 16.638 -21.612 1.00 0.00 H new ATOM 0 HA ASP A 48 20.918 17.839 -20.422 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.039 17.393 -19.569 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.184 18.216 -18.530 1.00 0.00 H new ATOM 728 N LEU A 49 19.883 15.014 -19.089 1.00 0.00 N ATOM 729 CA LEU A 49 20.250 13.947 -18.165 1.00 0.00 C ATOM 730 C LEU A 49 21.669 13.457 -18.434 1.00 0.00 C ATOM 731 O LEU A 49 22.489 13.368 -17.520 1.00 0.00 O ATOM 732 CB LEU A 49 19.265 12.782 -18.283 1.00 0.00 C ATOM 733 CG LEU A 49 19.729 11.449 -17.696 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.544 10.660 -17.161 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.483 10.640 -18.741 1.00 0.00 C ATOM 0 H LEU A 49 19.055 14.818 -19.652 1.00 0.00 H new ATOM 0 HA LEU A 49 20.210 14.348 -17.152 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.335 13.068 -17.792 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.036 12.631 -19.338 1.00 0.00 H new ATOM 0 HG LEU A 49 20.406 11.655 -16.867 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.894 9.714 -16.747 1.00 0.00 H new ATOM 0 HD12 LEU A 49 18.046 11.236 -16.381 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.842 10.464 -17.971 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.806 9.694 -18.306 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.829 10.444 -19.591 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.355 11.202 -19.076 1.00 0.00 H new ATOM 747 N ILE A 50 21.952 13.144 -19.694 1.00 0.00 N ATOM 748 CA ILE A 50 23.273 12.668 -20.084 1.00 0.00 C ATOM 749 C ILE A 50 24.324 13.759 -19.910 1.00 0.00 C ATOM 750 O ILE A 50 25.515 13.475 -19.797 1.00 0.00 O ATOM 751 CB ILE A 50 23.288 12.184 -21.546 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.128 13.370 -22.500 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.187 11.160 -21.777 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.873 13.200 -23.805 1.00 0.00 C ATOM 0 H ILE A 50 21.284 13.212 -20.462 1.00 0.00 H new ATOM 0 HA ILE A 50 23.512 11.829 -19.430 1.00 0.00 H new ATOM 0 HB ILE A 50 24.248 11.707 -21.745 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.069 13.515 -22.712 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.481 14.275 -22.005 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.211 10.828 -22.815 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.341 10.305 -21.119 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.219 11.612 -21.563 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.715 14.078 -24.431 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.938 13.085 -23.604 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.504 12.314 -24.322 1.00 0.00 H new ATOM 766 N ASN A 51 23.873 15.009 -19.889 1.00 0.00 N ATOM 767 CA ASN A 51 24.774 16.144 -19.728 1.00 0.00 C ATOM 768 C ASN A 51 25.134 16.350 -18.260 1.00 0.00 C ATOM 769 O ASN A 51 25.753 17.350 -17.895 1.00 0.00 O ATOM 770 CB ASN A 51 24.134 17.414 -20.291 1.00 0.00 C ATOM 771 CG ASN A 51 24.351 17.559 -21.785 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.234 16.922 -22.359 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.544 18.400 -22.421 1.00 0.00 N ATOM 0 H ASN A 51 22.889 15.261 -19.981 1.00 0.00 H new ATOM 0 HA ASN A 51 25.689 15.930 -20.281 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.064 17.402 -20.082 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.549 18.283 -19.781 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.642 18.539 -23.427 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.826 18.907 -21.904 1.00 0.00 H new ATOM 780 N LEU A 52 24.743 15.396 -17.422 1.00 0.00 N ATOM 781 CA LEU A 52 25.025 15.471 -15.993 1.00 0.00 C ATOM 782 C LEU A 52 26.463 15.055 -15.698 1.00 0.00 C ATOM 783 O LEU A 52 26.962 14.073 -16.250 1.00 0.00 O ATOM 784 CB LEU A 52 24.055 14.582 -15.214 1.00 0.00 C ATOM 785 CG LEU A 52 22.611 15.077 -15.129 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.793 14.184 -14.209 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.570 16.521 -14.649 1.00 0.00 C ATOM 0 H LEU A 52 24.230 14.562 -17.707 1.00 0.00 H new ATOM 0 HA LEU A 52 24.894 16.506 -15.676 1.00 0.00 H new ATOM 0 HB2 LEU A 52 24.052 13.593 -15.672 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.437 14.463 -14.200 1.00 0.00 H new ATOM 0 HG LEU A 52 22.173 15.034 -16.126 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.768 14.552 -14.161 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.795 13.165 -14.595 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.229 14.194 -13.210 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.535 16.857 -14.594 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.026 16.589 -13.661 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.120 17.152 -15.347 1.00 0.00 H new ATOM 799 N THR A 53 27.124 15.806 -14.823 1.00 0.00 N ATOM 800 CA THR A 53 28.503 15.514 -14.454 1.00 0.00 C ATOM 801 C THR A 53 28.699 15.605 -12.945 1.00 0.00 C ATOM 802 O THR A 53 27.867 16.170 -12.235 1.00 0.00 O ATOM 803 CB THR A 53 29.486 16.476 -15.147 1.00 0.00 C ATOM 804 OG1 THR A 53 29.048 17.829 -14.980 1.00 0.00 O ATOM 805 CG2 THR A 53 29.602 16.155 -16.629 1.00 0.00 C ATOM 0 H THR A 53 26.726 16.621 -14.357 1.00 0.00 H new ATOM 0 HA THR A 53 28.710 14.496 -14.784 1.00 0.00 H new ATOM 0 HB THR A 53 30.466 16.353 -14.686 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.679 18.434 -15.422 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.302 16.847 -17.098 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.964 15.134 -16.753 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.624 16.253 -17.100 1.00 0.00 H new ATOM 813 N GLN A 54 29.805 15.048 -12.461 1.00 0.00 N ATOM 814 CA GLN A 54 30.109 15.067 -11.035 1.00 0.00 C ATOM 815 C GLN A 54 29.995 16.481 -10.474 1.00 0.00 C ATOM 816 O GLN A 54 29.497 16.680 -9.366 1.00 0.00 O ATOM 817 CB GLN A 54 31.514 14.518 -10.785 1.00 0.00 C ATOM 818 CG GLN A 54 31.767 14.130 -9.337 1.00 0.00 C ATOM 819 CD GLN A 54 33.228 13.843 -9.056 1.00 0.00 C ATOM 820 OE1 GLN A 54 34.111 14.596 -9.468 1.00 0.00 O ATOM 821 NE2 GLN A 54 33.493 12.750 -8.349 1.00 0.00 N ATOM 0 H GLN A 54 30.505 14.578 -13.035 1.00 0.00 H new ATOM 0 HA GLN A 54 29.383 14.434 -10.525 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.672 13.646 -11.419 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.247 15.267 -11.085 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.427 14.934 -8.685 1.00 0.00 H new ATOM 0 HG3 GLN A 54 31.174 13.249 -9.092 1.00 0.00 H new ATOM 0 HE21 GLN A 54 32.731 12.154 -8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 54 34.459 12.507 -8.128 1.00 0.00 H new ATOM 830 N GLU A 55 30.460 17.458 -11.246 1.00 0.00 N ATOM 831 CA GLU A 55 30.410 18.853 -10.824 1.00 0.00 C ATOM 832 C GLU A 55 28.968 19.309 -10.622 1.00 0.00 C ATOM 833 O GLU A 55 28.688 20.165 -9.783 1.00 0.00 O ATOM 834 CB GLU A 55 31.099 19.747 -11.858 1.00 0.00 C ATOM 835 CG GLU A 55 30.161 20.267 -12.934 1.00 0.00 C ATOM 836 CD GLU A 55 30.890 21.025 -14.026 1.00 0.00 C ATOM 837 OE1 GLU A 55 31.719 20.406 -14.726 1.00 0.00 O ATOM 838 OE2 GLU A 55 30.632 22.237 -14.181 1.00 0.00 O ATOM 0 H GLU A 55 30.875 17.310 -12.166 1.00 0.00 H new ATOM 0 HA GLU A 55 30.936 18.937 -9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.557 20.594 -11.346 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.906 19.186 -12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 55 29.621 19.429 -13.376 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.417 20.920 -12.478 1.00 0.00 H new ATOM 845 N ASP A 56 28.057 18.730 -11.397 1.00 0.00 N ATOM 846 CA ASP A 56 26.643 19.075 -11.304 1.00 0.00 C ATOM 847 C ASP A 56 26.050 18.587 -9.986 1.00 0.00 C ATOM 848 O ASP A 56 24.977 19.028 -9.575 1.00 0.00 O ATOM 849 CB ASP A 56 25.871 18.474 -12.479 1.00 0.00 C ATOM 850 CG ASP A 56 26.279 19.076 -13.809 1.00 0.00 C ATOM 851 OD1 ASP A 56 26.939 20.135 -13.803 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.937 18.488 -14.857 1.00 0.00 O ATOM 0 H ASP A 56 28.273 18.020 -12.097 1.00 0.00 H new ATOM 0 HA ASP A 56 26.556 20.161 -11.340 1.00 0.00 H new ATOM 0 HB2 ASP A 56 26.036 17.397 -12.505 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.803 18.629 -12.326 1.00 0.00 H new ATOM 857 N PHE A 57 26.756 17.674 -9.328 1.00 0.00 N ATOM 858 CA PHE A 57 26.299 17.124 -8.056 1.00 0.00 C ATOM 859 C PHE A 57 26.667 18.050 -6.901 1.00 0.00 C ATOM 860 O PHE A 57 25.885 18.240 -5.969 1.00 0.00 O ATOM 861 CB PHE A 57 26.906 15.739 -7.828 1.00 0.00 C ATOM 862 CG PHE A 57 26.271 14.661 -8.659 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.684 14.439 -9.963 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.261 13.870 -8.136 1.00 0.00 C ATOM 865 CE1 PHE A 57 26.100 13.449 -10.730 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.673 12.877 -8.899 1.00 0.00 C ATOM 867 CZ PHE A 57 25.095 12.666 -10.197 1.00 0.00 C ATOM 0 H PHE A 57 27.647 17.299 -9.654 1.00 0.00 H new ATOM 0 HA PHE A 57 25.213 17.035 -8.095 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.972 15.777 -8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.810 15.478 -6.774 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.471 15.047 -10.385 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.929 14.030 -7.121 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.429 13.288 -11.746 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.885 12.268 -8.480 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.640 11.890 -10.794 1.00 0.00 H new ATOM 877 N LYS A 58 27.864 18.624 -6.967 1.00 0.00 N ATOM 878 CA LYS A 58 28.337 19.531 -5.929 1.00 0.00 C ATOM 879 C LYS A 58 27.373 20.698 -5.745 1.00 0.00 C ATOM 880 O LYS A 58 27.426 21.409 -4.741 1.00 0.00 O ATOM 881 CB LYS A 58 29.731 20.057 -6.279 1.00 0.00 C ATOM 882 CG LYS A 58 30.676 18.983 -6.789 1.00 0.00 C ATOM 883 CD LYS A 58 32.107 19.488 -6.860 1.00 0.00 C ATOM 884 CE LYS A 58 32.989 18.553 -7.674 1.00 0.00 C ATOM 885 NZ LYS A 58 34.437 18.818 -7.448 1.00 0.00 N ATOM 0 H LYS A 58 28.525 18.476 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 58 28.389 18.975 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.637 20.836 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 58 30.167 20.523 -5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.628 18.114 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 58 30.356 18.655 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 58 32.121 20.483 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 58 32.510 19.584 -5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 58 32.764 17.520 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 58 32.760 18.668 -8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 35.004 18.160 -8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 34.658 19.796 -7.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 34.662 18.683 -6.442 1.00 0.00 H new ATOM 899 N LYS A 59 26.490 20.890 -6.719 1.00 0.00 N ATOM 900 CA LYS A 59 25.511 21.969 -6.664 1.00 0.00 C ATOM 901 C LYS A 59 24.119 21.459 -7.021 1.00 0.00 C ATOM 902 O LYS A 59 23.954 20.387 -7.604 1.00 0.00 O ATOM 903 CB LYS A 59 25.912 23.097 -7.617 1.00 0.00 C ATOM 904 CG LYS A 59 26.755 22.632 -8.792 1.00 0.00 C ATOM 905 CD LYS A 59 26.912 23.726 -9.834 1.00 0.00 C ATOM 906 CE LYS A 59 27.246 23.149 -11.201 1.00 0.00 C ATOM 907 NZ LYS A 59 27.120 24.168 -12.279 1.00 0.00 N ATOM 0 H LYS A 59 26.432 20.311 -7.557 1.00 0.00 H new ATOM 0 HA LYS A 59 25.487 22.353 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 59 25.010 23.578 -7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.466 23.852 -7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.738 22.324 -8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.293 21.757 -9.249 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.990 24.305 -9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.700 24.414 -9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 59 28.262 22.755 -11.190 1.00 0.00 H new ATOM 0 HE3 LYS A 59 26.582 22.311 -11.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.356 23.735 -13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.144 24.526 -12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 27.772 24.956 -12.090 1.00 0.00 H new ATOM 921 N PRO A 60 23.091 22.243 -6.664 1.00 0.00 N ATOM 922 CA PRO A 60 21.695 21.892 -6.938 1.00 0.00 C ATOM 923 C PRO A 60 21.360 21.963 -8.424 1.00 0.00 C ATOM 924 O PRO A 60 22.080 22.568 -9.219 1.00 0.00 O ATOM 925 CB PRO A 60 20.904 22.948 -6.161 1.00 0.00 C ATOM 926 CG PRO A 60 21.828 24.112 -6.057 1.00 0.00 C ATOM 927 CD PRO A 60 23.213 23.534 -5.966 1.00 0.00 C ATOM 0 HA PRO A 60 21.468 20.867 -6.644 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.985 23.217 -6.682 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.616 22.582 -5.176 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.734 24.764 -6.925 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.598 24.715 -5.179 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.950 24.180 -6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.526 23.403 -4.930 1.00 0.00 H new ATOM 935 N PRO A 61 20.242 21.331 -8.811 1.00 0.00 N ATOM 936 CA PRO A 61 19.378 20.607 -7.874 1.00 0.00 C ATOM 937 C PRO A 61 20.032 19.334 -7.348 1.00 0.00 C ATOM 938 O PRO A 61 19.911 19.003 -6.168 1.00 0.00 O ATOM 939 CB PRO A 61 18.147 20.266 -8.718 1.00 0.00 C ATOM 940 CG PRO A 61 18.645 20.242 -10.122 1.00 0.00 C ATOM 941 CD PRO A 61 19.735 21.275 -10.192 1.00 0.00 C ATOM 0 HA PRO A 61 19.153 21.199 -6.987 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.725 19.303 -8.431 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.361 21.010 -8.590 1.00 0.00 H new ATOM 0 HG2 PRO A 61 19.025 19.255 -10.384 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.844 20.472 -10.824 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.516 20.987 -10.895 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.352 22.242 -10.519 1.00 0.00 H new ATOM 949 N LEU A 62 20.726 18.623 -8.230 1.00 0.00 N ATOM 950 CA LEU A 62 21.402 17.386 -7.854 1.00 0.00 C ATOM 951 C LEU A 62 22.477 17.650 -6.804 1.00 0.00 C ATOM 952 O LEU A 62 23.580 18.091 -7.128 1.00 0.00 O ATOM 953 CB LEU A 62 22.027 16.728 -9.085 1.00 0.00 C ATOM 954 CG LEU A 62 21.094 16.513 -10.277 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.876 16.548 -11.581 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.345 15.196 -10.137 1.00 0.00 C ATOM 0 H LEU A 62 20.835 18.882 -9.211 1.00 0.00 H new ATOM 0 HA LEU A 62 20.660 16.712 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.867 17.340 -9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.434 15.761 -8.788 1.00 0.00 H new ATOM 0 HG LEU A 62 20.365 17.323 -10.293 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.195 16.393 -12.418 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.365 17.516 -11.686 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.629 15.760 -11.575 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.686 15.060 -10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 62 21.059 14.374 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.753 15.210 -9.222 1.00 0.00 H new ATOM 968 N TYR A 63 22.148 17.376 -5.547 1.00 0.00 N ATOM 969 CA TYR A 63 23.085 17.584 -4.449 1.00 0.00 C ATOM 970 C TYR A 63 22.902 16.523 -3.368 1.00 0.00 C ATOM 971 O TYR A 63 21.784 16.258 -2.927 1.00 0.00 O ATOM 972 CB TYR A 63 22.899 18.978 -3.848 1.00 0.00 C ATOM 973 CG TYR A 63 23.872 19.293 -2.735 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.240 19.127 -2.914 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.424 19.755 -1.504 1.00 0.00 C ATOM 976 CE1 TYR A 63 26.133 19.412 -1.899 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.310 20.045 -0.484 1.00 0.00 C ATOM 978 CZ TYR A 63 25.663 19.871 -0.686 1.00 0.00 C ATOM 979 OH TYR A 63 26.548 20.157 0.328 1.00 0.00 O ATOM 0 H TYR A 63 21.240 17.009 -5.263 1.00 0.00 H new ATOM 0 HA TYR A 63 24.096 17.500 -4.848 1.00 0.00 H new ATOM 0 HB2 TYR A 63 23.009 19.722 -4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.882 19.067 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.612 18.769 -3.863 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.365 19.890 -1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 63 27.193 19.276 -2.054 1.00 0.00 H new ATOM 0 HE2 TYR A 63 23.945 20.406 0.466 1.00 0.00 H new ATOM 0 HH TYR A 63 26.054 20.470 1.114 1.00 0.00 H new ATOM 989 N ARG A 64 24.009 15.920 -2.946 1.00 0.00 N ATOM 990 CA ARG A 64 23.971 14.887 -1.918 1.00 0.00 C ATOM 991 C ARG A 64 22.660 14.109 -1.977 1.00 0.00 C ATOM 992 O ARG A 64 22.077 13.775 -0.946 1.00 0.00 O ATOM 993 CB ARG A 64 24.144 15.511 -0.532 1.00 0.00 C ATOM 994 CG ARG A 64 23.400 16.824 -0.357 1.00 0.00 C ATOM 995 CD ARG A 64 23.067 17.086 1.103 1.00 0.00 C ATOM 996 NE ARG A 64 22.182 18.237 1.264 1.00 0.00 N ATOM 997 CZ ARG A 64 21.810 18.718 2.445 1.00 0.00 C ATOM 998 NH1 ARG A 64 22.245 18.152 3.562 1.00 0.00 N ATOM 999 NH2 ARG A 64 21.002 19.769 2.511 1.00 0.00 N ATOM 0 H ARG A 64 24.942 16.129 -3.300 1.00 0.00 H new ATOM 0 HA ARG A 64 24.793 14.195 -2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.797 14.804 0.221 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.205 15.678 -0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.007 17.642 -0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.481 16.803 -0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.594 16.202 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.988 17.256 1.660 1.00 0.00 H new ATOM 0 HE ARG A 64 21.831 18.696 0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.867 17.345 3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.958 18.524 4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.666 20.208 1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.717 20.137 3.419 1.00 0.00 H new ATOM 1013 N VAL A 65 22.202 13.823 -3.192 1.00 0.00 N ATOM 1014 CA VAL A 65 20.961 13.082 -3.386 1.00 0.00 C ATOM 1015 C VAL A 65 21.078 11.663 -2.842 1.00 0.00 C ATOM 1016 O VAL A 65 20.150 11.148 -2.218 1.00 0.00 O ATOM 1017 CB VAL A 65 20.573 13.019 -4.875 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.186 12.416 -5.040 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.638 14.404 -5.501 1.00 0.00 C ATOM 0 H VAL A 65 22.672 14.093 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 65 20.184 13.615 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 65 21.287 12.377 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 65 18.929 12.379 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.177 11.406 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.457 13.030 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.361 14.341 -6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.948 15.070 -4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.652 14.795 -5.416 1.00 0.00 H new ATOM 1029 N SER A 66 22.224 11.035 -3.082 1.00 0.00 N ATOM 1030 CA SER A 66 22.461 9.672 -2.619 1.00 0.00 C ATOM 1031 C SER A 66 23.738 9.596 -1.787 1.00 0.00 C ATOM 1032 O SER A 66 24.618 10.449 -1.900 1.00 0.00 O ATOM 1033 CB SER A 66 22.557 8.716 -3.810 1.00 0.00 C ATOM 1034 OG SER A 66 22.841 7.395 -3.381 1.00 0.00 O ATOM 0 H SER A 66 23.003 11.448 -3.594 1.00 0.00 H new ATOM 0 HA SER A 66 21.621 9.376 -1.991 1.00 0.00 H new ATOM 0 HB2 SER A 66 21.620 8.728 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.337 9.056 -4.492 1.00 0.00 H new ATOM 0 HG SER A 66 23.544 7.012 -3.946 1.00 0.00 H new ATOM 1040 N SER A 67 23.830 8.567 -0.950 1.00 0.00 N ATOM 1041 CA SER A 67 24.997 8.379 -0.096 1.00 0.00 C ATOM 1042 C SER A 67 26.229 8.035 -0.927 1.00 0.00 C ATOM 1043 O SER A 67 27.334 7.914 -0.398 1.00 0.00 O ATOM 1044 CB SER A 67 24.733 7.274 0.928 1.00 0.00 C ATOM 1045 OG SER A 67 25.854 7.084 1.774 1.00 0.00 O ATOM 0 H SER A 67 23.111 7.851 -0.845 1.00 0.00 H new ATOM 0 HA SER A 67 25.186 9.315 0.430 1.00 0.00 H new ATOM 0 HB2 SER A 67 23.860 7.531 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 67 24.502 6.343 0.411 1.00 0.00 H new ATOM 0 HG SER A 67 26.677 7.261 1.272 1.00 0.00 H new ATOM 1051 N ASP A 68 26.030 7.878 -2.231 1.00 0.00 N ATOM 1052 CA ASP A 68 27.124 7.548 -3.137 1.00 0.00 C ATOM 1053 C ASP A 68 27.656 8.801 -3.825 1.00 0.00 C ATOM 1054 O ASP A 68 28.091 8.753 -4.975 1.00 0.00 O ATOM 1055 CB ASP A 68 26.660 6.534 -4.184 1.00 0.00 C ATOM 1056 CG ASP A 68 25.785 5.448 -3.590 1.00 0.00 C ATOM 1057 OD1 ASP A 68 26.125 4.942 -2.501 1.00 0.00 O ATOM 1058 OD2 ASP A 68 24.760 5.103 -4.216 1.00 0.00 O ATOM 0 H ASP A 68 25.121 7.974 -2.684 1.00 0.00 H new ATOM 0 HA ASP A 68 27.930 7.108 -2.549 1.00 0.00 H new ATOM 0 HB2 ASP A 68 26.108 7.052 -4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.531 6.078 -4.655 1.00 0.00 H new ATOM 1063 N ASN A 69 27.616 9.923 -3.113 1.00 0.00 N ATOM 1064 CA ASN A 69 28.092 11.190 -3.657 1.00 0.00 C ATOM 1065 C ASN A 69 27.671 11.349 -5.115 1.00 0.00 C ATOM 1066 O ASN A 69 28.335 12.032 -5.893 1.00 0.00 O ATOM 1067 CB ASN A 69 29.615 11.279 -3.541 1.00 0.00 C ATOM 1068 CG ASN A 69 30.324 10.466 -4.607 1.00 0.00 C ATOM 1069 OD1 ASN A 69 30.602 9.282 -4.418 1.00 0.00 O ATOM 1070 ND2 ASN A 69 30.620 11.101 -5.736 1.00 0.00 N ATOM 0 H ASN A 69 27.259 9.981 -2.159 1.00 0.00 H new ATOM 0 HA ASN A 69 27.643 11.997 -3.078 1.00 0.00 H new ATOM 0 HB2 ASN A 69 29.922 12.322 -3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 69 29.923 10.929 -2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 69 31.097 10.606 -6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 69 30.370 12.083 -5.849 1.00 0.00 H new ATOM 1077 N GLY A 70 26.561 10.712 -5.478 1.00 0.00 N ATOM 1078 CA GLY A 70 26.070 10.796 -6.841 1.00 0.00 C ATOM 1079 C GLY A 70 26.860 9.923 -7.796 1.00 0.00 C ATOM 1080 O GLY A 70 27.116 10.313 -8.934 1.00 0.00 O ATOM 0 H GLY A 70 25.994 10.140 -4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.021 10.499 -6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.116 11.832 -7.178 1.00 0.00 H new ATOM 1084 N GLN A 71 27.247 8.740 -7.331 1.00 0.00 N ATOM 1085 CA GLN A 71 28.015 7.811 -8.152 1.00 0.00 C ATOM 1086 C GLN A 71 27.091 6.877 -8.927 1.00 0.00 C ATOM 1087 O GLN A 71 27.191 6.763 -10.148 1.00 0.00 O ATOM 1088 CB GLN A 71 28.969 6.994 -7.279 1.00 0.00 C ATOM 1089 CG GLN A 71 29.611 5.825 -8.008 1.00 0.00 C ATOM 1090 CD GLN A 71 30.732 6.257 -8.932 1.00 0.00 C ATOM 1091 OE1 GLN A 71 31.865 6.464 -8.497 1.00 0.00 O ATOM 1092 NE2 GLN A 71 30.422 6.396 -10.215 1.00 0.00 N ATOM 0 H GLN A 71 27.042 8.402 -6.391 1.00 0.00 H new ATOM 0 HA GLN A 71 28.596 8.393 -8.867 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.753 7.650 -6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.423 6.617 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.001 5.116 -7.277 1.00 0.00 H new ATOM 0 HG3 GLN A 71 28.850 5.301 -8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 71 29.470 6.214 -10.532 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.136 6.685 -10.884 1.00 0.00 H new ATOM 1101 N ARG A 72 26.193 6.211 -8.208 1.00 0.00 N ATOM 1102 CA ARG A 72 25.253 5.285 -8.828 1.00 0.00 C ATOM 1103 C ARG A 72 24.702 5.860 -10.130 1.00 0.00 C ATOM 1104 O ARG A 72 24.705 5.194 -11.166 1.00 0.00 O ATOM 1105 CB ARG A 72 24.103 4.974 -7.869 1.00 0.00 C ATOM 1106 CG ARG A 72 23.076 4.011 -8.441 1.00 0.00 C ATOM 1107 CD ARG A 72 22.342 3.260 -7.341 1.00 0.00 C ATOM 1108 NE ARG A 72 23.091 2.093 -6.882 1.00 0.00 N ATOM 1109 CZ ARG A 72 22.724 1.345 -5.847 1.00 0.00 C ATOM 1110 NH1 ARG A 72 21.625 1.641 -5.168 1.00 0.00 N ATOM 1111 NH2 ARG A 72 23.458 0.299 -5.490 1.00 0.00 N ATOM 0 H ARG A 72 26.097 6.295 -7.196 1.00 0.00 H new ATOM 0 HA ARG A 72 25.787 4.362 -9.055 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.511 4.553 -6.950 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.605 5.905 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.358 4.562 -9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.572 3.299 -9.101 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.165 3.931 -6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.366 2.943 -7.708 1.00 0.00 H new ATOM 0 HE ARG A 72 23.942 1.838 -7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.059 2.445 -5.440 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.346 1.065 -4.374 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.305 0.069 -6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.176 -0.275 -4.695 1.00 0.00 H new ATOM 1125 N LEU A 73 24.229 7.100 -10.069 1.00 0.00 N ATOM 1126 CA LEU A 73 23.672 7.765 -11.243 1.00 0.00 C ATOM 1127 C LEU A 73 24.750 8.003 -12.296 1.00 0.00 C ATOM 1128 O LEU A 73 24.651 7.513 -13.422 1.00 0.00 O ATOM 1129 CB LEU A 73 23.031 9.095 -10.843 1.00 0.00 C ATOM 1130 CG LEU A 73 22.464 9.937 -11.987 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.324 9.203 -12.675 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.995 11.290 -11.472 1.00 0.00 C ATOM 0 H LEU A 73 24.220 7.665 -9.220 1.00 0.00 H new ATOM 0 HA LEU A 73 22.909 7.115 -11.671 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.227 8.890 -10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.776 9.690 -10.315 1.00 0.00 H new ATOM 0 HG LEU A 73 23.256 10.103 -12.717 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.933 9.817 -13.486 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.690 8.259 -13.079 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.531 9.006 -11.954 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.595 11.876 -12.300 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.218 11.144 -10.721 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.836 11.821 -11.025 1.00 0.00 H new ATOM 1144 N LEU A 74 25.778 8.756 -11.923 1.00 0.00 N ATOM 1145 CA LEU A 74 26.876 9.058 -12.835 1.00 0.00 C ATOM 1146 C LEU A 74 27.266 7.826 -13.645 1.00 0.00 C ATOM 1147 O LEU A 74 27.560 7.921 -14.837 1.00 0.00 O ATOM 1148 CB LEU A 74 28.086 9.574 -12.055 1.00 0.00 C ATOM 1149 CG LEU A 74 28.071 11.061 -11.698 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.297 11.425 -10.875 1.00 0.00 C ATOM 1151 CD2 LEU A 74 28.000 11.911 -12.958 1.00 0.00 C ATOM 0 H LEU A 74 25.875 9.169 -10.995 1.00 0.00 H new ATOM 0 HA LEU A 74 26.540 9.832 -13.525 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.170 9.000 -11.132 1.00 0.00 H new ATOM 0 HB3 LEU A 74 28.983 9.370 -12.639 1.00 0.00 H new ATOM 0 HG LEU A 74 27.184 11.262 -11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.269 12.487 -10.630 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.304 10.841 -9.955 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.198 11.209 -11.449 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.990 12.966 -12.685 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.868 11.706 -13.584 1.00 0.00 H new ATOM 0 HD23 LEU A 74 27.091 11.670 -13.509 1.00 0.00 H new ATOM 1163 N ASP A 75 27.264 6.670 -12.990 1.00 0.00 N ATOM 1164 CA ASP A 75 27.614 5.417 -13.650 1.00 0.00 C ATOM 1165 C ASP A 75 26.503 4.972 -14.596 1.00 0.00 C ATOM 1166 O ASP A 75 26.768 4.499 -15.700 1.00 0.00 O ATOM 1167 CB ASP A 75 27.884 4.327 -12.611 1.00 0.00 C ATOM 1168 CG ASP A 75 28.877 3.293 -13.102 1.00 0.00 C ATOM 1169 OD1 ASP A 75 29.692 3.626 -13.988 1.00 0.00 O ATOM 1170 OD2 ASP A 75 28.841 2.150 -12.599 1.00 0.00 O ATOM 0 H ASP A 75 27.024 6.574 -12.003 1.00 0.00 H new ATOM 0 HA ASP A 75 28.519 5.583 -14.235 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.263 4.786 -11.698 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.947 3.833 -12.355 1.00 0.00 H new ATOM 1175 N MET A 76 25.259 5.126 -14.153 1.00 0.00 N ATOM 1176 CA MET A 76 24.108 4.741 -14.961 1.00 0.00 C ATOM 1177 C MET A 76 23.995 5.621 -16.202 1.00 0.00 C ATOM 1178 O MET A 76 23.441 5.206 -17.220 1.00 0.00 O ATOM 1179 CB MET A 76 22.824 4.836 -14.135 1.00 0.00 C ATOM 1180 CG MET A 76 22.678 3.724 -13.109 1.00 0.00 C ATOM 1181 SD MET A 76 22.812 2.081 -13.841 1.00 0.00 S ATOM 1182 CE MET A 76 21.506 2.148 -15.065 1.00 0.00 C ATOM 0 H MET A 76 25.023 5.514 -13.240 1.00 0.00 H new ATOM 0 HA MET A 76 24.250 3.709 -15.282 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.802 5.798 -13.622 1.00 0.00 H new ATOM 0 HB3 MET A 76 21.967 4.814 -14.808 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.444 3.839 -12.342 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.713 3.818 -12.612 1.00 0.00 H new ATOM 0 HE1 MET A 76 21.111 1.146 -15.231 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.707 2.798 -14.709 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.904 2.541 -16.001 1.00 0.00 H new ATOM 1192 N ILE A 77 24.522 6.837 -16.109 1.00 0.00 N ATOM 1193 CA ILE A 77 24.480 7.775 -17.224 1.00 0.00 C ATOM 1194 C ILE A 77 25.695 7.607 -18.130 1.00 0.00 C ATOM 1195 O ILE A 77 25.583 7.674 -19.353 1.00 0.00 O ATOM 1196 CB ILE A 77 24.419 9.233 -16.732 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.279 9.408 -15.726 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.245 10.183 -17.908 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.207 10.796 -15.129 1.00 0.00 C ATOM 0 H ILE A 77 24.983 7.196 -15.273 1.00 0.00 H new ATOM 0 HA ILE A 77 23.575 7.553 -17.789 1.00 0.00 H new ATOM 0 HB ILE A 77 25.358 9.472 -16.233 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.333 9.184 -16.219 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.400 8.682 -14.922 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.204 11.209 -17.544 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.087 10.074 -18.591 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.319 9.947 -18.433 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.376 10.847 -14.425 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.138 11.016 -14.607 1.00 0.00 H new ATOM 0 HD13 ILE A 77 23.055 11.526 -15.924 1.00 0.00 H new ATOM 1211 N GLU A 78 26.855 7.385 -17.520 1.00 0.00 N ATOM 1212 CA GLU A 78 28.091 7.205 -18.273 1.00 0.00 C ATOM 1213 C GLU A 78 27.866 6.295 -19.477 1.00 0.00 C ATOM 1214 O GLU A 78 28.366 6.558 -20.571 1.00 0.00 O ATOM 1215 CB GLU A 78 29.181 6.618 -17.373 1.00 0.00 C ATOM 1216 CG GLU A 78 30.587 7.038 -17.768 1.00 0.00 C ATOM 1217 CD GLU A 78 31.645 6.069 -17.277 1.00 0.00 C ATOM 1218 OE1 GLU A 78 31.639 4.906 -17.731 1.00 0.00 O ATOM 1219 OE2 GLU A 78 32.478 6.473 -16.439 1.00 0.00 O ATOM 0 H GLU A 78 26.965 7.326 -16.508 1.00 0.00 H new ATOM 0 HA GLU A 78 28.414 8.182 -18.633 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.995 6.925 -16.344 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.115 5.530 -17.399 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.647 7.116 -18.854 1.00 0.00 H new ATOM 0 HG3 GLU A 78 30.793 8.030 -17.365 1.00 0.00 H new ATOM 1226 N THR A 79 27.111 5.221 -19.267 1.00 0.00 N ATOM 1227 CA THR A 79 26.820 4.271 -20.334 1.00 0.00 C ATOM 1228 C THR A 79 25.863 4.870 -21.358 1.00 0.00 C ATOM 1229 O THR A 79 25.903 4.521 -22.538 1.00 0.00 O ATOM 1230 CB THR A 79 26.211 2.971 -19.777 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.368 1.910 -20.726 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.735 3.158 -19.458 1.00 0.00 C ATOM 0 H THR A 79 26.690 4.987 -18.368 1.00 0.00 H new ATOM 0 HA THR A 79 27.768 4.040 -20.819 1.00 0.00 H new ATOM 0 HB THR A 79 26.736 2.715 -18.857 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.979 1.087 -20.363 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.327 2.226 -19.066 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.621 3.946 -18.714 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.199 3.436 -20.366 1.00 0.00 H new ATOM 1240 N LEU A 80 25.003 5.773 -20.900 1.00 0.00 N ATOM 1241 CA LEU A 80 24.035 6.422 -21.777 1.00 0.00 C ATOM 1242 C LEU A 80 24.738 7.278 -22.825 1.00 0.00 C ATOM 1243 O LEU A 80 24.268 7.404 -23.956 1.00 0.00 O ATOM 1244 CB LEU A 80 23.074 7.285 -20.958 1.00 0.00 C ATOM 1245 CG LEU A 80 22.132 6.533 -20.017 1.00 0.00 C ATOM 1246 CD1 LEU A 80 21.047 7.462 -19.493 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.514 5.336 -20.725 1.00 0.00 C ATOM 0 H LEU A 80 24.956 6.072 -19.926 1.00 0.00 H new ATOM 0 HA LEU A 80 23.468 5.645 -22.290 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.662 7.987 -20.366 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.471 7.876 -21.647 1.00 0.00 H new ATOM 0 HG LEU A 80 22.712 6.169 -19.169 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.386 6.909 -18.825 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.506 8.287 -18.948 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.470 7.856 -20.330 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.847 4.813 -20.040 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.949 5.678 -21.592 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.303 4.659 -21.051 1.00 0.00 H new ATOM 1259 N LYS A 81 25.868 7.862 -22.443 1.00 0.00 N ATOM 1260 CA LYS A 81 26.639 8.705 -23.350 1.00 0.00 C ATOM 1261 C LYS A 81 27.424 7.856 -24.346 1.00 0.00 C ATOM 1262 O LYS A 81 27.176 7.908 -25.550 1.00 0.00 O ATOM 1263 CB LYS A 81 27.597 9.598 -22.559 1.00 0.00 C ATOM 1264 CG LYS A 81 26.939 10.846 -21.997 1.00 0.00 C ATOM 1265 CD LYS A 81 26.440 10.623 -20.579 1.00 0.00 C ATOM 1266 CE LYS A 81 27.498 10.994 -19.551 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.831 10.426 -19.897 1.00 0.00 N ATOM 0 H LYS A 81 26.271 7.767 -21.511 1.00 0.00 H new ATOM 0 HA LYS A 81 25.941 9.333 -23.904 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.024 9.021 -21.738 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.424 9.893 -23.206 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.652 11.670 -22.007 1.00 0.00 H new ATOM 0 HG3 LYS A 81 26.105 11.138 -22.635 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.543 11.218 -20.410 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.158 9.578 -20.452 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.572 12.079 -19.482 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.193 10.632 -18.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.500 10.614 -19.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.745 9.399 -20.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.180 10.867 -20.772 1.00 0.00 H new ATOM 1281 N MET A 82 28.370 7.076 -23.834 1.00 0.00 N ATOM 1282 CA MET A 82 29.190 6.215 -24.680 1.00 0.00 C ATOM 1283 C MET A 82 28.373 5.655 -25.840 1.00 0.00 C ATOM 1284 O MET A 82 28.890 5.465 -26.940 1.00 0.00 O ATOM 1285 CB MET A 82 29.781 5.069 -23.856 1.00 0.00 C ATOM 1286 CG MET A 82 28.844 3.882 -23.708 1.00 0.00 C ATOM 1287 SD MET A 82 29.648 2.453 -22.956 1.00 0.00 S ATOM 1288 CE MET A 82 30.347 3.194 -21.483 1.00 0.00 C ATOM 0 H MET A 82 28.588 7.022 -22.839 1.00 0.00 H new ATOM 0 HA MET A 82 30.002 6.816 -25.089 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.707 4.735 -24.325 1.00 0.00 H new ATOM 0 HB3 MET A 82 30.042 5.441 -22.865 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.987 4.174 -23.100 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.459 3.603 -24.689 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.233 2.510 -20.642 1.00 0.00 H new ATOM 0 HE2 MET A 82 31.406 3.397 -21.645 1.00 0.00 H new ATOM 0 HE3 MET A 82 29.828 4.127 -21.264 1.00 0.00 H new