USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 561 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: C 77 MET CE :methyl 164:sc= -0.087 (180deg=-0.474) USER MOD Set 1.2: C 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: C 51 SER OG : rot 180:sc= 1.15 USER MOD Set 2.2: C 54 THR OG1 : rot 115:sc= 1.2 USER MOD Set 3.1: C 22 SER OG : rot 180:sc= 0 USER MOD Set 3.2: C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 13 TYR OH : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 20 TYR OH : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ -170:sc= -0.559 (180deg=-0.773) USER MOD Single : C 30 LYS NZ :NH3+ 171:sc=-0.00496 (180deg=-0.09) USER MOD Single : C 31 TYR OH : rot 180:sc= 0 USER MOD Single : C 33 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : C 36 SER OG : rot 66:sc= 1.26 USER MOD Single : C 38 ASN : amide:sc= -0.047 X(o=-0.047,f=-0.051) USER MOD Single : C 48 GLN : amide:sc= -1.03 X(o=-1,f=-1.1) USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl -173:sc= -0.687 (180deg=-0.689) USER MOD Single : C 53 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : C 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 180:sc= 0.00587 USER MOD Single : C 70 GLN : amide:sc= -1.23 K(o=-1.2,f=-1.9!) USER MOD Single : C 71 TYR OH : rot 180:sc= 0 USER MOD Single : C 76 TYR OH : rot 180:sc= 0 USER MOD Single : C 78 SER OG : rot 180:sc= 0.0401 USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 80 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : C 85 ASN : amide:sc= 0.73 K(o=0.73,f=0) USER MOD Single : C 87 THR OG1 : rot -22:sc= -1.98! USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 2.217 9.596 -1.631 1.00 0.00 N ATOM 168 CA LEU C 12 2.707 8.409 -0.958 1.00 0.00 C ATOM 169 C LEU C 12 1.572 7.452 -0.632 1.00 0.00 C ATOM 170 O LEU C 12 0.410 7.703 -0.955 1.00 0.00 O ATOM 171 CB LEU C 12 3.495 8.780 0.302 1.00 0.00 C ATOM 172 CG LEU C 12 5.021 8.661 0.162 1.00 0.00 C ATOM 173 CD1 LEU C 12 5.540 9.548 -0.957 1.00 0.00 C ATOM 174 CD2 LEU C 12 5.710 9.008 1.471 1.00 0.00 C ATOM 0 HA LEU C 12 3.385 7.896 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU C 12 3.248 9.804 0.580 1.00 0.00 H new ATOM 0 HB3 LEU C 12 3.168 8.139 1.121 1.00 0.00 H new ATOM 0 HG LEU C 12 5.251 7.626 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU C 12 6.622 9.443 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU C 12 5.080 9.251 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU C 12 5.290 10.587 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU C 12 6.789 8.917 1.349 1.00 0.00 H new ATOM 0 HD22 LEU C 12 5.461 10.031 1.753 1.00 0.00 H new ATOM 0 HD23 LEU C 12 5.374 8.325 2.251 1.00 0.00 H new ATOM 186 N TYR C 13 1.930 6.352 0.003 1.00 0.00 N ATOM 187 CA TYR C 13 1.025 5.235 0.202 1.00 0.00 C ATOM 188 C TYR C 13 0.575 5.168 1.662 1.00 0.00 C ATOM 189 O TYR C 13 1.224 5.772 2.520 1.00 0.00 O ATOM 190 CB TYR C 13 1.756 3.978 -0.242 1.00 0.00 C ATOM 191 CG TYR C 13 2.163 4.019 -1.702 1.00 0.00 C ATOM 192 CD1 TYR C 13 1.254 4.393 -2.686 1.00 0.00 C ATOM 193 CD2 TYR C 13 3.448 3.682 -2.094 1.00 0.00 C ATOM 194 CE1 TYR C 13 1.619 4.429 -4.018 1.00 0.00 C ATOM 195 CE2 TYR C 13 3.821 3.715 -3.425 1.00 0.00 C ATOM 196 CZ TYR C 13 2.904 4.089 -4.381 1.00 0.00 C ATOM 197 OH TYR C 13 3.272 4.125 -5.708 1.00 0.00 O ATOM 0 H TYR C 13 2.860 6.207 0.397 1.00 0.00 H new ATOM 0 HA TYR C 13 0.116 5.348 -0.388 1.00 0.00 H new ATOM 0 HB2 TYR C 13 2.645 3.843 0.374 1.00 0.00 H new ATOM 0 HB3 TYR C 13 1.116 3.112 -0.072 1.00 0.00 H new ATOM 0 HD1 TYR C 13 0.246 4.660 -2.404 1.00 0.00 H new ATOM 0 HD2 TYR C 13 4.171 3.388 -1.347 1.00 0.00 H new ATOM 0 HE1 TYR C 13 0.901 4.722 -4.770 1.00 0.00 H new ATOM 0 HE2 TYR C 13 4.827 3.449 -3.713 1.00 0.00 H new ATOM 0 HH TYR C 13 4.211 3.858 -5.794 1.00 0.00 H new ATOM 207 N LYS C 14 -0.513 4.438 1.971 1.00 0.00 N ATOM 208 CA LYS C 14 -1.173 4.607 3.260 1.00 0.00 C ATOM 209 C LYS C 14 -1.833 3.328 3.723 1.00 0.00 C ATOM 210 O LYS C 14 -2.237 2.481 2.927 1.00 0.00 O ATOM 211 CB LYS C 14 -2.242 5.706 3.204 1.00 0.00 C ATOM 212 CG LYS C 14 -1.707 7.113 2.978 1.00 0.00 C ATOM 213 CD LYS C 14 -2.824 8.143 3.070 1.00 0.00 C ATOM 214 CE LYS C 14 -2.318 9.555 2.822 1.00 0.00 C ATOM 215 NZ LYS C 14 -3.407 10.562 2.937 1.00 0.00 N ATOM 0 H LYS C 14 -0.938 3.744 1.356 1.00 0.00 H new ATOM 0 HA LYS C 14 -0.391 4.889 3.965 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -2.945 5.468 2.405 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -2.804 5.693 4.138 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -0.939 7.337 3.718 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -1.232 7.172 1.999 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -3.600 7.903 2.343 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -3.285 8.091 4.056 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -1.530 9.789 3.537 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -1.874 9.612 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -3.022 11.512 2.761 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -4.148 10.354 2.237 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -3.814 10.525 3.893 1.00 0.00 H new ATOM 229 N ASP C 15 -1.942 3.216 5.025 1.00 0.00 N ATOM 230 CA ASP C 15 -2.628 2.103 5.656 1.00 0.00 C ATOM 231 C ASP C 15 -4.108 2.453 5.856 1.00 0.00 C ATOM 232 O ASP C 15 -4.637 3.336 5.177 1.00 0.00 O ATOM 233 CB ASP C 15 -1.924 1.728 6.981 1.00 0.00 C ATOM 234 CG ASP C 15 -2.509 2.368 8.235 1.00 0.00 C ATOM 235 OD1 ASP C 15 -2.546 1.678 9.275 1.00 0.00 O ATOM 236 OD2 ASP C 15 -2.963 3.529 8.186 1.00 0.00 O ATOM 0 H ASP C 15 -1.558 3.894 5.683 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.585 1.225 5.011 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -1.958 0.645 7.097 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -0.873 2.008 6.907 1.00 0.00 H new ATOM 241 N ALA C 16 -4.756 1.790 6.801 1.00 0.00 N ATOM 242 CA ALA C 16 -6.197 1.900 6.979 1.00 0.00 C ATOM 243 C ALA C 16 -6.619 3.304 7.421 1.00 0.00 C ATOM 244 O ALA C 16 -7.482 3.919 6.795 1.00 0.00 O ATOM 245 CB ALA C 16 -6.680 0.857 7.997 1.00 0.00 C ATOM 0 H ALA C 16 -4.301 1.163 7.464 1.00 0.00 H new ATOM 0 HA ALA C 16 -6.663 1.711 6.012 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -7.759 0.946 8.125 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -6.438 -0.143 7.636 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -6.186 1.027 8.954 1.00 0.00 H new ATOM 251 N ASP C 17 -6.000 3.829 8.478 1.00 0.00 N ATOM 252 CA ASP C 17 -6.486 5.067 9.083 1.00 0.00 C ATOM 253 C ASP C 17 -5.665 6.266 8.638 1.00 0.00 C ATOM 254 O ASP C 17 -6.024 7.409 8.919 1.00 0.00 O ATOM 255 CB ASP C 17 -6.504 4.981 10.617 1.00 0.00 C ATOM 256 CG ASP C 17 -5.128 5.055 11.254 1.00 0.00 C ATOM 257 OD1 ASP C 17 -4.654 6.179 11.538 1.00 0.00 O ATOM 258 OD2 ASP C 17 -4.528 3.990 11.506 1.00 0.00 O ATOM 0 H ASP C 17 -5.177 3.426 8.926 1.00 0.00 H new ATOM 0 HA ASP C 17 -7.510 5.203 8.736 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -7.119 5.791 11.009 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.981 4.047 10.913 1.00 0.00 H new ATOM 263 N GLY C 18 -4.571 6.015 7.942 1.00 0.00 N ATOM 264 CA GLY C 18 -3.777 7.112 7.431 1.00 0.00 C ATOM 265 C GLY C 18 -2.325 7.038 7.842 1.00 0.00 C ATOM 266 O GLY C 18 -1.595 8.027 7.754 1.00 0.00 O ATOM 0 H GLY C 18 -4.220 5.083 7.722 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -3.840 7.121 6.343 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -4.200 8.053 7.783 1.00 0.00 H new ATOM 270 N VAL C 19 -1.906 5.870 8.290 1.00 0.00 N ATOM 271 CA VAL C 19 -0.506 5.623 8.586 1.00 0.00 C ATOM 272 C VAL C 19 0.235 5.413 7.277 1.00 0.00 C ATOM 273 O VAL C 19 0.144 4.351 6.666 1.00 0.00 O ATOM 274 CB VAL C 19 -0.335 4.386 9.495 1.00 0.00 C ATOM 275 CG1 VAL C 19 1.135 4.026 9.659 1.00 0.00 C ATOM 276 CG2 VAL C 19 -0.965 4.642 10.853 1.00 0.00 C ATOM 0 H VAL C 19 -2.519 5.072 8.458 1.00 0.00 H new ATOM 0 HA VAL C 19 -0.098 6.482 9.119 1.00 0.00 H new ATOM 0 HB VAL C 19 -0.840 3.545 9.021 1.00 0.00 H new ATOM 0 HG11 VAL C 19 1.226 3.152 10.304 1.00 0.00 H new ATOM 0 HG12 VAL C 19 1.566 3.804 8.683 1.00 0.00 H new ATOM 0 HG13 VAL C 19 1.667 4.865 10.108 1.00 0.00 H new ATOM 0 HG21 VAL C 19 -0.838 3.763 11.485 1.00 0.00 H new ATOM 0 HG22 VAL C 19 -0.482 5.499 11.322 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -2.028 4.848 10.728 1.00 0.00 H new ATOM 286 N TYR C 20 0.934 6.441 6.829 1.00 0.00 N ATOM 287 CA TYR C 20 1.582 6.393 5.543 1.00 0.00 C ATOM 288 C TYR C 20 2.903 5.649 5.640 1.00 0.00 C ATOM 289 O TYR C 20 3.417 5.381 6.731 1.00 0.00 O ATOM 290 CB TYR C 20 1.801 7.810 4.988 1.00 0.00 C ATOM 291 CG TYR C 20 3.113 8.437 5.401 1.00 0.00 C ATOM 292 CD1 TYR C 20 4.241 8.272 4.614 1.00 0.00 C ATOM 293 CD2 TYR C 20 3.234 9.171 6.572 1.00 0.00 C ATOM 294 CE1 TYR C 20 5.451 8.809 4.975 1.00 0.00 C ATOM 295 CE2 TYR C 20 4.447 9.722 6.942 1.00 0.00 C ATOM 296 CZ TYR C 20 5.554 9.536 6.140 1.00 0.00 C ATOM 297 OH TYR C 20 6.768 10.070 6.508 1.00 0.00 O ATOM 0 H TYR C 20 1.064 7.314 7.340 1.00 0.00 H new ATOM 0 HA TYR C 20 0.931 5.855 4.854 1.00 0.00 H new ATOM 0 HB2 TYR C 20 1.754 7.774 3.900 1.00 0.00 H new ATOM 0 HB3 TYR C 20 0.984 8.450 5.321 1.00 0.00 H new ATOM 0 HD1 TYR C 20 4.166 7.708 3.696 1.00 0.00 H new ATOM 0 HD2 TYR C 20 2.369 9.314 7.203 1.00 0.00 H new ATOM 0 HE1 TYR C 20 6.318 8.662 4.349 1.00 0.00 H new ATOM 0 HE2 TYR C 20 4.527 10.295 7.854 1.00 0.00 H new ATOM 0 HH TYR C 20 6.669 10.555 7.354 1.00 0.00 H new ATOM 307 N VAL C 21 3.447 5.352 4.482 1.00 0.00 N ATOM 308 CA VAL C 21 4.709 4.643 4.349 1.00 0.00 C ATOM 309 C VAL C 21 5.417 5.162 3.103 1.00 0.00 C ATOM 310 O VAL C 21 4.776 5.465 2.090 1.00 0.00 O ATOM 311 CB VAL C 21 4.525 3.089 4.241 1.00 0.00 C ATOM 312 CG1 VAL C 21 3.657 2.502 5.360 1.00 0.00 C ATOM 313 CG2 VAL C 21 3.940 2.700 2.897 1.00 0.00 C ATOM 0 H VAL C 21 3.022 5.598 3.588 1.00 0.00 H new ATOM 0 HA VAL C 21 5.298 4.827 5.248 1.00 0.00 H new ATOM 0 HB VAL C 21 5.525 2.668 4.346 1.00 0.00 H new ATOM 0 HG11 VAL C 21 3.570 1.424 5.226 1.00 0.00 H new ATOM 0 HG12 VAL C 21 4.117 2.711 6.326 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.665 2.953 5.326 1.00 0.00 H new ATOM 0 HG21 VAL C 21 3.824 1.617 2.851 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.967 3.175 2.772 1.00 0.00 H new ATOM 0 HG23 VAL C 21 4.608 3.028 2.101 1.00 0.00 H new ATOM 323 N SER C 22 6.725 5.323 3.192 1.00 0.00 N ATOM 324 CA SER C 22 7.502 5.737 2.042 1.00 0.00 C ATOM 325 C SER C 22 7.884 4.509 1.241 1.00 0.00 C ATOM 326 O SER C 22 8.194 3.463 1.812 1.00 0.00 O ATOM 327 CB SER C 22 8.754 6.508 2.463 1.00 0.00 C ATOM 328 OG SER C 22 9.449 7.012 1.336 1.00 0.00 O ATOM 0 H SER C 22 7.267 5.174 4.043 1.00 0.00 H new ATOM 0 HA SER C 22 6.898 6.407 1.430 1.00 0.00 H new ATOM 0 HB2 SER C 22 8.473 7.332 3.119 1.00 0.00 H new ATOM 0 HB3 SER C 22 9.411 5.854 3.036 1.00 0.00 H new ATOM 0 HG SER C 22 10.244 7.502 1.634 1.00 0.00 H new ATOM 334 N ALA C 23 7.860 4.640 -0.069 1.00 0.00 N ATOM 335 CA ALA C 23 8.117 3.516 -0.943 1.00 0.00 C ATOM 336 C ALA C 23 9.464 3.660 -1.612 1.00 0.00 C ATOM 337 O ALA C 23 9.709 4.602 -2.369 1.00 0.00 O ATOM 338 CB ALA C 23 7.022 3.366 -1.981 1.00 0.00 C ATOM 0 H ALA C 23 7.664 5.517 -0.552 1.00 0.00 H new ATOM 0 HA ALA C 23 8.127 2.613 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA C 23 7.243 2.513 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA C 23 6.067 3.206 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA C 23 6.968 4.271 -2.586 1.00 0.00 H new ATOM 344 N LEU C 24 10.327 2.720 -1.317 1.00 0.00 N ATOM 345 CA LEU C 24 11.661 2.680 -1.871 1.00 0.00 C ATOM 346 C LEU C 24 11.702 1.599 -2.948 1.00 0.00 C ATOM 347 O LEU C 24 11.770 0.409 -2.632 1.00 0.00 O ATOM 348 CB LEU C 24 12.693 2.385 -0.764 1.00 0.00 C ATOM 349 CG LEU C 24 12.686 3.326 0.461 1.00 0.00 C ATOM 350 CD1 LEU C 24 12.585 4.779 0.038 1.00 0.00 C ATOM 351 CD2 LEU C 24 11.568 2.981 1.436 1.00 0.00 C ATOM 0 H LEU C 24 10.122 1.951 -0.678 1.00 0.00 H new ATOM 0 HA LEU C 24 11.912 3.646 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU C 24 12.532 1.366 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU C 24 13.687 2.414 -1.210 1.00 0.00 H new ATOM 0 HG LEU C 24 13.636 3.180 0.976 1.00 0.00 H new ATOM 0 HD11 LEU C 24 12.582 5.416 0.922 1.00 0.00 H new ATOM 0 HD12 LEU C 24 13.438 5.035 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU C 24 11.662 4.932 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU C 24 11.599 3.667 2.283 1.00 0.00 H new ATOM 0 HD22 LEU C 24 10.606 3.070 0.932 1.00 0.00 H new ATOM 0 HD23 LEU C 24 11.698 1.959 1.792 1.00 0.00 H new ATOM 363 N PRO C 25 11.618 1.986 -4.233 1.00 0.00 N ATOM 364 CA PRO C 25 11.493 1.027 -5.333 1.00 0.00 C ATOM 365 C PRO C 25 12.760 0.202 -5.530 1.00 0.00 C ATOM 366 O PRO C 25 13.841 0.747 -5.768 1.00 0.00 O ATOM 367 CB PRO C 25 11.215 1.908 -6.561 1.00 0.00 C ATOM 368 CG PRO C 25 10.875 3.253 -6.013 1.00 0.00 C ATOM 369 CD PRO C 25 11.648 3.370 -4.736 1.00 0.00 C ATOM 0 HA PRO C 25 10.709 0.294 -5.144 1.00 0.00 H new ATOM 0 HB2 PRO C 25 12.086 1.958 -7.214 1.00 0.00 H new ATOM 0 HB3 PRO C 25 10.394 1.507 -7.155 1.00 0.00 H new ATOM 0 HG2 PRO C 25 11.150 4.043 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.804 3.345 -5.833 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.666 3.721 -4.906 1.00 0.00 H new ATOM 0 HD3 PRO C 25 11.183 4.068 -4.040 1.00 0.00 H new ATOM 377 N ILE C 26 12.616 -1.113 -5.420 1.00 0.00 N ATOM 378 CA ILE C 26 13.748 -2.020 -5.538 1.00 0.00 C ATOM 379 C ILE C 26 14.092 -2.244 -7.006 1.00 0.00 C ATOM 380 O ILE C 26 13.430 -3.014 -7.706 1.00 0.00 O ATOM 381 CB ILE C 26 13.455 -3.381 -4.864 1.00 0.00 C ATOM 382 CG1 ILE C 26 12.924 -3.171 -3.436 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.716 -4.238 -4.852 1.00 0.00 C ATOM 384 CD1 ILE C 26 12.508 -4.450 -2.733 1.00 0.00 C ATOM 0 H ILE C 26 11.723 -1.575 -5.249 1.00 0.00 H new ATOM 0 HA ILE C 26 14.594 -1.559 -5.029 1.00 0.00 H new ATOM 0 HB ILE C 26 12.687 -3.901 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.694 -2.678 -2.843 1.00 0.00 H new ATOM 0 HG13 ILE C 26 12.069 -2.496 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.501 -5.195 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE C 26 15.049 -4.409 -5.876 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.500 -3.724 -4.296 1.00 0.00 H new ATOM 0 HD11 ILE C 26 12.146 -4.214 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE C 26 11.714 -4.936 -3.301 1.00 0.00 H new ATOM 0 HD13 ILE C 26 13.364 -5.120 -2.660 1.00 0.00 H new ATOM 396 N LYS C 27 15.139 -1.561 -7.454 1.00 0.00 N ATOM 397 CA LYS C 27 15.562 -1.605 -8.845 1.00 0.00 C ATOM 398 C LYS C 27 16.107 -2.980 -9.219 1.00 0.00 C ATOM 399 O LYS C 27 15.481 -3.715 -9.980 1.00 0.00 O ATOM 400 CB LYS C 27 16.617 -0.521 -9.113 1.00 0.00 C ATOM 401 CG LYS C 27 17.286 -0.639 -10.475 1.00 0.00 C ATOM 402 CD LYS C 27 18.364 0.419 -10.677 1.00 0.00 C ATOM 403 CE LYS C 27 17.785 1.826 -10.707 1.00 0.00 C ATOM 404 NZ LYS C 27 16.793 2.001 -11.805 1.00 0.00 N ATOM 0 H LYS C 27 15.716 -0.963 -6.863 1.00 0.00 H new ATOM 0 HA LYS C 27 14.688 -1.413 -9.468 1.00 0.00 H new ATOM 0 HB2 LYS C 27 16.146 0.459 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS C 27 17.381 -0.571 -8.337 1.00 0.00 H new ATOM 0 HG2 LYS C 27 17.728 -1.630 -10.577 1.00 0.00 H new ATOM 0 HG3 LYS C 27 16.533 -0.543 -11.258 1.00 0.00 H new ATOM 0 HD2 LYS C 27 19.098 0.346 -9.874 1.00 0.00 H new ATOM 0 HD3 LYS C 27 18.892 0.225 -11.610 1.00 0.00 H new ATOM 0 HE2 LYS C 27 17.308 2.042 -9.751 1.00 0.00 H new ATOM 0 HE3 LYS C 27 18.593 2.547 -10.831 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 16.551 3.008 -11.897 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 17.201 1.659 -12.699 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 15.934 1.458 -11.586 1.00 0.00 H new ATOM 418 N ALA C 28 17.264 -3.330 -8.677 1.00 0.00 N ATOM 419 CA ALA C 28 17.927 -4.573 -9.043 1.00 0.00 C ATOM 420 C ALA C 28 18.859 -5.044 -7.937 1.00 0.00 C ATOM 421 O ALA C 28 19.434 -4.233 -7.209 1.00 0.00 O ATOM 422 CB ALA C 28 18.702 -4.393 -10.343 1.00 0.00 C ATOM 0 H ALA C 28 17.762 -2.772 -7.984 1.00 0.00 H new ATOM 0 HA ALA C 28 17.161 -5.335 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA C 28 19.194 -5.330 -10.606 1.00 0.00 H new ATOM 0 HB2 ALA C 28 18.015 -4.107 -11.140 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.453 -3.613 -10.214 1.00 0.00 H new ATOM 428 N ILE C 29 18.996 -6.356 -7.819 1.00 0.00 N ATOM 429 CA ILE C 29 19.871 -6.960 -6.827 1.00 0.00 C ATOM 430 C ILE C 29 20.737 -8.026 -7.474 1.00 0.00 C ATOM 431 O ILE C 29 20.353 -8.639 -8.471 1.00 0.00 O ATOM 432 CB ILE C 29 19.061 -7.593 -5.665 1.00 0.00 C ATOM 433 CG1 ILE C 29 18.206 -6.541 -4.973 1.00 0.00 C ATOM 434 CG2 ILE C 29 19.979 -8.252 -4.643 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.028 -7.122 -4.229 1.00 0.00 C ATOM 0 H ILE C 29 18.505 -7.030 -8.407 1.00 0.00 H new ATOM 0 HA ILE C 29 20.501 -6.170 -6.418 1.00 0.00 H new ATOM 0 HB ILE C 29 18.415 -8.358 -6.097 1.00 0.00 H new ATOM 0 HG12 ILE C 29 18.827 -5.980 -4.274 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.843 -5.832 -5.717 1.00 0.00 H new ATOM 0 HG21 ILE C 29 19.380 -8.686 -3.842 1.00 0.00 H new ATOM 0 HG22 ILE C 29 20.559 -9.037 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE C 29 20.655 -7.505 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.462 -6.318 -3.759 1.00 0.00 H new ATOM 0 HD12 ILE C 29 16.386 -7.659 -4.927 1.00 0.00 H new ATOM 0 HD13 ILE C 29 17.385 -7.810 -3.462 1.00 0.00 H new ATOM 447 N LYS C 30 21.903 -8.230 -6.901 1.00 0.00 N ATOM 448 CA LYS C 30 22.835 -9.229 -7.389 1.00 0.00 C ATOM 449 C LYS C 30 23.403 -10.005 -6.209 1.00 0.00 C ATOM 450 O LYS C 30 24.086 -9.441 -5.354 1.00 0.00 O ATOM 451 CB LYS C 30 23.959 -8.566 -8.196 1.00 0.00 C ATOM 452 CG LYS C 30 24.686 -9.506 -9.155 1.00 0.00 C ATOM 453 CD LYS C 30 25.540 -10.531 -8.425 1.00 0.00 C ATOM 454 CE LYS C 30 26.181 -11.518 -9.388 1.00 0.00 C ATOM 455 NZ LYS C 30 27.091 -10.848 -10.356 1.00 0.00 N ATOM 0 H LYS C 30 22.233 -7.712 -6.087 1.00 0.00 H new ATOM 0 HA LYS C 30 22.312 -9.919 -8.051 1.00 0.00 H new ATOM 0 HB2 LYS C 30 23.540 -7.737 -8.767 1.00 0.00 H new ATOM 0 HB3 LYS C 30 24.685 -8.141 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS C 30 23.955 -10.023 -9.777 1.00 0.00 H new ATOM 0 HG3 LYS C 30 25.317 -8.921 -9.824 1.00 0.00 H new ATOM 0 HD2 LYS C 30 26.317 -10.019 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS C 30 24.924 -11.072 -7.706 1.00 0.00 H new ATOM 0 HE2 LYS C 30 26.740 -12.264 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS C 30 25.401 -12.050 -9.933 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 27.620 -11.567 -10.890 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 26.532 -10.269 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 27.758 -10.239 -9.841 1.00 0.00 H new ATOM 469 N TYR C 31 23.117 -11.292 -6.170 1.00 0.00 N ATOM 470 CA TYR C 31 23.572 -12.151 -5.094 1.00 0.00 C ATOM 471 C TYR C 31 24.903 -12.785 -5.460 1.00 0.00 C ATOM 472 O TYR C 31 25.016 -13.492 -6.461 1.00 0.00 O ATOM 473 CB TYR C 31 22.528 -13.229 -4.788 1.00 0.00 C ATOM 474 CG TYR C 31 21.239 -12.674 -4.218 1.00 0.00 C ATOM 475 CD1 TYR C 31 21.084 -12.503 -2.849 1.00 0.00 C ATOM 476 CD2 TYR C 31 20.183 -12.315 -5.047 1.00 0.00 C ATOM 477 CE1 TYR C 31 19.913 -11.992 -2.320 1.00 0.00 C ATOM 478 CE2 TYR C 31 19.009 -11.804 -4.526 1.00 0.00 C ATOM 479 CZ TYR C 31 18.880 -11.642 -3.163 1.00 0.00 C ATOM 480 OH TYR C 31 17.714 -11.133 -2.641 1.00 0.00 O ATOM 0 H TYR C 31 22.564 -11.771 -6.881 1.00 0.00 H new ATOM 0 HA TYR C 31 23.708 -11.546 -4.198 1.00 0.00 H new ATOM 0 HB2 TYR C 31 22.305 -13.778 -5.703 1.00 0.00 H new ATOM 0 HB3 TYR C 31 22.951 -13.944 -4.082 1.00 0.00 H new ATOM 0 HD1 TYR C 31 21.892 -12.774 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR C 31 20.281 -12.437 -6.116 1.00 0.00 H new ATOM 0 HE1 TYR C 31 19.808 -11.868 -1.252 1.00 0.00 H new ATOM 0 HE2 TYR C 31 18.196 -11.533 -5.184 1.00 0.00 H new ATOM 0 HH TYR C 31 17.088 -10.937 -3.369 1.00 0.00 H new ATOM 490 N ALA C 32 25.909 -12.499 -4.657 1.00 0.00 N ATOM 491 CA ALA C 32 27.236 -13.015 -4.875 1.00 0.00 C ATOM 492 C ALA C 32 27.446 -14.270 -4.051 1.00 0.00 C ATOM 493 O ALA C 32 26.727 -14.536 -3.085 1.00 0.00 O ATOM 494 CB ALA C 32 28.273 -11.964 -4.517 1.00 0.00 C ATOM 0 H ALA C 32 25.824 -11.901 -3.835 1.00 0.00 H new ATOM 0 HA ALA C 32 27.350 -13.267 -5.929 1.00 0.00 H new ATOM 0 HB1 ALA C 32 29.272 -12.366 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA C 32 28.127 -11.082 -5.140 1.00 0.00 H new ATOM 0 HB3 ALA C 32 28.165 -11.689 -3.468 1.00 0.00 H new ATOM 500 N ASN C 33 28.452 -15.019 -4.446 1.00 0.00 N ATOM 501 CA ASN C 33 28.727 -16.343 -3.887 1.00 0.00 C ATOM 502 C ASN C 33 29.218 -16.264 -2.445 1.00 0.00 C ATOM 503 O ASN C 33 29.302 -17.281 -1.759 1.00 0.00 O ATOM 504 CB ASN C 33 29.762 -17.090 -4.742 1.00 0.00 C ATOM 505 CG ASN C 33 31.160 -16.505 -4.633 1.00 0.00 C ATOM 506 OD1 ASN C 33 31.941 -16.885 -3.758 1.00 0.00 O ATOM 507 ND2 ASN C 33 31.496 -15.592 -5.530 1.00 0.00 N ATOM 0 H ASN C 33 29.112 -14.733 -5.169 1.00 0.00 H new ATOM 0 HA ASN C 33 27.785 -16.892 -3.895 1.00 0.00 H new ATOM 0 HB2 ASN C 33 29.788 -18.136 -4.438 1.00 0.00 H new ATOM 0 HB3 ASN C 33 29.446 -17.069 -5.785 1.00 0.00 H new ATOM 0 HD21 ASN C 33 32.428 -15.178 -5.512 1.00 0.00 H new ATOM 0 HD22 ASN C 33 30.823 -15.302 -6.240 1.00 0.00 H new ATOM 514 N ASP C 34 29.552 -15.063 -1.991 1.00 0.00 N ATOM 515 CA ASP C 34 29.998 -14.875 -0.615 1.00 0.00 C ATOM 516 C ASP C 34 28.806 -14.614 0.299 1.00 0.00 C ATOM 517 O ASP C 34 28.920 -14.679 1.524 1.00 0.00 O ATOM 518 CB ASP C 34 30.996 -13.719 -0.511 1.00 0.00 C ATOM 519 CG ASP C 34 30.345 -12.359 -0.669 1.00 0.00 C ATOM 520 OD1 ASP C 34 30.360 -11.812 -1.790 1.00 0.00 O ATOM 521 OD2 ASP C 34 29.824 -11.827 0.330 1.00 0.00 O ATOM 0 H ASP C 34 29.523 -14.210 -2.550 1.00 0.00 H new ATOM 0 HA ASP C 34 30.498 -15.790 -0.298 1.00 0.00 H new ATOM 0 HB2 ASP C 34 31.498 -13.765 0.455 1.00 0.00 H new ATOM 0 HB3 ASP C 34 31.764 -13.839 -1.275 1.00 0.00 H new ATOM 526 N GLY C 35 27.662 -14.319 -0.307 1.00 0.00 N ATOM 527 CA GLY C 35 26.461 -14.067 0.460 1.00 0.00 C ATOM 528 C GLY C 35 25.983 -12.633 0.346 1.00 0.00 C ATOM 529 O GLY C 35 24.782 -12.369 0.418 1.00 0.00 O ATOM 0 H GLY C 35 27.547 -14.250 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY C 35 25.671 -14.737 0.120 1.00 0.00 H new ATOM 0 HA3 GLY C 35 26.649 -14.301 1.508 1.00 0.00 H new ATOM 533 N SER C 36 26.917 -11.706 0.173 1.00 0.00 N ATOM 534 CA SER C 36 26.576 -10.294 0.065 1.00 0.00 C ATOM 535 C SER C 36 25.826 -10.014 -1.233 1.00 0.00 C ATOM 536 O SER C 36 26.135 -10.584 -2.285 1.00 0.00 O ATOM 537 CB SER C 36 27.837 -9.436 0.136 1.00 0.00 C ATOM 538 OG SER C 36 28.583 -9.730 1.305 1.00 0.00 O ATOM 0 H SER C 36 27.915 -11.907 0.105 1.00 0.00 H new ATOM 0 HA SER C 36 25.926 -10.038 0.901 1.00 0.00 H new ATOM 0 HB2 SER C 36 28.452 -9.612 -0.747 1.00 0.00 H new ATOM 0 HB3 SER C 36 27.565 -8.381 0.129 1.00 0.00 H new ATOM 0 HG SER C 36 28.923 -10.648 1.254 1.00 0.00 H new ATOM 544 N ALA C 37 24.841 -9.136 -1.157 1.00 0.00 N ATOM 545 CA ALA C 37 24.038 -8.800 -2.317 1.00 0.00 C ATOM 546 C ALA C 37 24.117 -7.315 -2.622 1.00 0.00 C ATOM 547 O ALA C 37 24.050 -6.481 -1.717 1.00 0.00 O ATOM 548 CB ALA C 37 22.593 -9.224 -2.105 1.00 0.00 C ATOM 0 H ALA C 37 24.579 -8.643 -0.303 1.00 0.00 H new ATOM 0 HA ALA C 37 24.438 -9.343 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA C 37 22.005 -8.964 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA C 37 22.550 -10.301 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA C 37 22.187 -8.711 -1.233 1.00 0.00 H new ATOM 554 N ASN C 38 24.275 -6.995 -3.896 1.00 0.00 N ATOM 555 CA ASN C 38 24.307 -5.614 -4.340 1.00 0.00 C ATOM 556 C ASN C 38 22.904 -5.137 -4.656 1.00 0.00 C ATOM 557 O ASN C 38 22.250 -5.665 -5.555 1.00 0.00 O ATOM 558 CB ASN C 38 25.209 -5.461 -5.564 1.00 0.00 C ATOM 559 CG ASN C 38 25.147 -4.069 -6.162 1.00 0.00 C ATOM 560 OD1 ASN C 38 25.856 -3.163 -5.728 1.00 0.00 O ATOM 561 ND2 ASN C 38 24.308 -3.892 -7.168 1.00 0.00 N ATOM 0 H ASN C 38 24.384 -7.679 -4.644 1.00 0.00 H new ATOM 0 HA ASN C 38 24.716 -5.001 -3.537 1.00 0.00 H new ATOM 0 HB2 ASN C 38 26.238 -5.687 -5.283 1.00 0.00 H new ATOM 0 HB3 ASN C 38 24.917 -6.191 -6.319 1.00 0.00 H new ATOM 0 HD21 ASN C 38 24.232 -2.978 -7.614 1.00 0.00 H new ATOM 0 HD22 ASN C 38 23.737 -4.670 -7.499 1.00 0.00 H new ATOM 568 N ALA C 39 22.444 -4.156 -3.903 1.00 0.00 N ATOM 569 CA ALA C 39 21.115 -3.615 -4.095 1.00 0.00 C ATOM 570 C ALA C 39 21.169 -2.235 -4.720 1.00 0.00 C ATOM 571 O ALA C 39 22.219 -1.597 -4.734 1.00 0.00 O ATOM 572 CB ALA C 39 20.351 -3.592 -2.783 1.00 0.00 C ATOM 0 H ALA C 39 22.974 -3.717 -3.150 1.00 0.00 H new ATOM 0 HA ALA C 39 20.582 -4.268 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA C 39 19.355 -3.182 -2.949 1.00 0.00 H new ATOM 0 HB2 ALA C 39 20.266 -4.607 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA C 39 20.883 -2.971 -2.063 1.00 0.00 H new ATOM 578 N GLU C 40 20.038 -1.806 -5.267 1.00 0.00 N ATOM 579 CA GLU C 40 19.886 -0.477 -5.850 1.00 0.00 C ATOM 580 C GLU C 40 18.417 -0.063 -5.793 1.00 0.00 C ATOM 581 O GLU C 40 17.553 -0.825 -6.228 1.00 0.00 O ATOM 582 CB GLU C 40 20.339 -0.463 -7.318 1.00 0.00 C ATOM 583 CG GLU C 40 21.838 -0.590 -7.521 1.00 0.00 C ATOM 584 CD GLU C 40 22.215 -0.720 -8.981 1.00 0.00 C ATOM 585 OE1 GLU C 40 22.227 0.307 -9.689 1.00 0.00 O ATOM 586 OE2 GLU C 40 22.502 -1.853 -9.425 1.00 0.00 O ATOM 0 H GLU C 40 19.193 -2.375 -5.319 1.00 0.00 H new ATOM 0 HA GLU C 40 20.505 0.216 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU C 40 19.844 -1.279 -7.844 1.00 0.00 H new ATOM 0 HB3 GLU C 40 20.001 0.465 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU C 40 22.334 0.283 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU C 40 22.203 -1.460 -6.976 1.00 0.00 H new ATOM 593 N PHE C 41 18.116 1.110 -5.240 1.00 0.00 N ATOM 594 CA PHE C 41 16.775 1.666 -5.359 1.00 0.00 C ATOM 595 C PHE C 41 16.710 2.584 -6.561 1.00 0.00 C ATOM 596 O PHE C 41 17.734 3.106 -7.005 1.00 0.00 O ATOM 597 CB PHE C 41 16.372 2.473 -4.122 1.00 0.00 C ATOM 598 CG PHE C 41 16.087 1.654 -2.892 1.00 0.00 C ATOM 599 CD1 PHE C 41 15.522 0.390 -2.986 1.00 0.00 C ATOM 600 CD2 PHE C 41 16.375 2.159 -1.634 1.00 0.00 C ATOM 601 CE1 PHE C 41 15.254 -0.349 -1.851 1.00 0.00 C ATOM 602 CE2 PHE C 41 16.109 1.423 -0.497 1.00 0.00 C ATOM 603 CZ PHE C 41 15.548 0.167 -0.604 1.00 0.00 C ATOM 0 H PHE C 41 18.773 1.685 -4.713 1.00 0.00 H new ATOM 0 HA PHE C 41 16.089 0.826 -5.466 1.00 0.00 H new ATOM 0 HB2 PHE C 41 17.169 3.180 -3.893 1.00 0.00 H new ATOM 0 HB3 PHE C 41 15.485 3.060 -4.363 1.00 0.00 H new ATOM 0 HD1 PHE C 41 15.289 -0.020 -3.958 1.00 0.00 H new ATOM 0 HD2 PHE C 41 16.813 3.142 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE C 41 14.814 -1.331 -1.938 1.00 0.00 H new ATOM 0 HE2 PHE C 41 16.340 1.830 0.476 1.00 0.00 H new ATOM 0 HZ PHE C 41 15.339 -0.411 0.284 1.00 0.00 H new ATOM 613 N ASP C 42 15.519 2.772 -7.094 1.00 0.00 N ATOM 614 CA ASP C 42 15.313 3.805 -8.085 1.00 0.00 C ATOM 615 C ASP C 42 14.462 4.911 -7.488 1.00 0.00 C ATOM 616 O ASP C 42 13.933 4.784 -6.384 1.00 0.00 O ATOM 617 CB ASP C 42 14.693 3.265 -9.393 1.00 0.00 C ATOM 618 CG ASP C 42 13.347 2.604 -9.211 1.00 0.00 C ATOM 619 OD1 ASP C 42 13.318 1.412 -8.847 1.00 0.00 O ATOM 620 OD2 ASP C 42 12.315 3.249 -9.500 1.00 0.00 O ATOM 0 H ASP C 42 14.688 2.229 -6.860 1.00 0.00 H new ATOM 0 HA ASP C 42 16.289 4.204 -8.361 1.00 0.00 H new ATOM 0 HB2 ASP C 42 14.589 4.088 -10.100 1.00 0.00 H new ATOM 0 HB3 ASP C 42 15.381 2.547 -9.839 1.00 0.00 H new ATOM 625 N GLY C 43 14.346 5.987 -8.221 1.00 0.00 N ATOM 626 CA GLY C 43 13.761 7.194 -7.695 1.00 0.00 C ATOM 627 C GLY C 43 14.837 8.080 -7.110 1.00 0.00 C ATOM 628 O GLY C 43 16.004 7.958 -7.488 1.00 0.00 O ATOM 0 H GLY C 43 14.651 6.053 -9.192 1.00 0.00 H new ATOM 0 HA2 GLY C 43 13.231 7.725 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY C 43 13.026 6.947 -6.929 1.00 0.00 H new ATOM 632 N PRO C 44 14.498 8.968 -6.173 1.00 0.00 N ATOM 633 CA PRO C 44 15.478 9.824 -5.505 1.00 0.00 C ATOM 634 C PRO C 44 16.231 9.080 -4.400 1.00 0.00 C ATOM 635 O PRO C 44 16.489 9.635 -3.333 1.00 0.00 O ATOM 636 CB PRO C 44 14.624 10.953 -4.898 1.00 0.00 C ATOM 637 CG PRO C 44 13.214 10.692 -5.336 1.00 0.00 C ATOM 638 CD PRO C 44 13.142 9.238 -5.698 1.00 0.00 C ATOM 0 HA PRO C 44 16.244 10.178 -6.195 1.00 0.00 H new ATOM 0 HB2 PRO C 44 14.700 10.957 -3.811 1.00 0.00 H new ATOM 0 HB3 PRO C 44 14.965 11.929 -5.245 1.00 0.00 H new ATOM 0 HG2 PRO C 44 12.510 10.928 -4.538 1.00 0.00 H new ATOM 0 HG3 PRO C 44 12.951 11.318 -6.189 1.00 0.00 H new ATOM 0 HD2 PRO C 44 12.880 8.618 -4.841 1.00 0.00 H new ATOM 0 HD3 PRO C 44 12.395 9.047 -6.469 1.00 0.00 H new ATOM 646 N TYR C 45 16.576 7.821 -4.655 1.00 0.00 N ATOM 647 CA TYR C 45 17.218 6.988 -3.648 1.00 0.00 C ATOM 648 C TYR C 45 18.304 6.106 -4.254 1.00 0.00 C ATOM 649 O TYR C 45 18.324 5.855 -5.460 1.00 0.00 O ATOM 650 CB TYR C 45 16.188 6.097 -2.947 1.00 0.00 C ATOM 651 CG TYR C 45 15.178 6.851 -2.104 1.00 0.00 C ATOM 652 CD1 TYR C 45 15.451 7.173 -0.777 1.00 0.00 C ATOM 653 CD2 TYR C 45 13.952 7.238 -2.632 1.00 0.00 C ATOM 654 CE1 TYR C 45 14.531 7.858 -0.006 1.00 0.00 C ATOM 655 CE2 TYR C 45 13.029 7.925 -1.867 1.00 0.00 C ATOM 656 CZ TYR C 45 13.322 8.231 -0.555 1.00 0.00 C ATOM 657 OH TYR C 45 12.404 8.911 0.212 1.00 0.00 O ATOM 0 H TYR C 45 16.421 7.357 -5.550 1.00 0.00 H new ATOM 0 HA TYR C 45 17.677 7.662 -2.925 1.00 0.00 H new ATOM 0 HB2 TYR C 45 15.654 5.518 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR C 45 16.714 5.385 -2.311 1.00 0.00 H new ATOM 0 HD1 TYR C 45 16.397 6.883 -0.343 1.00 0.00 H new ATOM 0 HD2 TYR C 45 13.717 6.998 -3.658 1.00 0.00 H new ATOM 0 HE1 TYR C 45 14.758 8.100 1.022 1.00 0.00 H new ATOM 0 HE2 TYR C 45 12.082 8.221 -2.295 1.00 0.00 H new ATOM 0 HH TYR C 45 11.606 9.100 -0.324 1.00 0.00 H new ATOM 667 N ALA C 46 19.200 5.651 -3.393 1.00 0.00 N ATOM 668 CA ALA C 46 20.275 4.747 -3.770 1.00 0.00 C ATOM 669 C ALA C 46 20.102 3.407 -3.067 1.00 0.00 C ATOM 670 O ALA C 46 19.136 3.200 -2.341 1.00 0.00 O ATOM 671 CB ALA C 46 21.617 5.363 -3.399 1.00 0.00 C ATOM 0 H ALA C 46 19.202 5.901 -2.404 1.00 0.00 H new ATOM 0 HA ALA C 46 20.243 4.583 -4.847 1.00 0.00 H new ATOM 0 HB1 ALA C 46 22.420 4.683 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA C 46 21.740 6.310 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA C 46 21.652 5.538 -2.324 1.00 0.00 H new ATOM 677 N ASP C 47 21.016 2.492 -3.326 1.00 0.00 N ATOM 678 CA ASP C 47 21.168 1.286 -2.520 1.00 0.00 C ATOM 679 C ASP C 47 22.481 0.641 -2.910 1.00 0.00 C ATOM 680 O ASP C 47 23.073 1.032 -3.920 1.00 0.00 O ATOM 681 CB ASP C 47 19.998 0.308 -2.669 1.00 0.00 C ATOM 682 CG ASP C 47 19.758 -0.490 -1.397 1.00 0.00 C ATOM 683 OD1 ASP C 47 18.593 -0.628 -0.984 1.00 0.00 O ATOM 684 OD2 ASP C 47 20.740 -0.965 -0.789 1.00 0.00 O ATOM 0 H ASP C 47 21.677 2.559 -4.100 1.00 0.00 H new ATOM 0 HA ASP C 47 21.169 1.562 -1.466 1.00 0.00 H new ATOM 0 HB2 ASP C 47 19.094 0.860 -2.927 1.00 0.00 H new ATOM 0 HB3 ASP C 47 20.200 -0.376 -3.494 1.00 0.00 H new ATOM 689 N GLN C 48 22.926 -0.351 -2.158 1.00 0.00 N ATOM 690 CA GLN C 48 24.344 -0.706 -2.151 1.00 0.00 C ATOM 691 C GLN C 48 24.519 -2.194 -1.883 1.00 0.00 C ATOM 692 O GLN C 48 23.542 -2.922 -1.702 1.00 0.00 O ATOM 693 CB GLN C 48 25.097 0.090 -1.063 1.00 0.00 C ATOM 694 CG GLN C 48 24.751 1.579 -0.988 1.00 0.00 C ATOM 695 CD GLN C 48 25.097 2.352 -2.250 1.00 0.00 C ATOM 696 OE1 GLN C 48 26.075 2.049 -2.934 1.00 0.00 O ATOM 697 NE2 GLN C 48 24.274 3.344 -2.579 1.00 0.00 N ATOM 0 H GLN C 48 22.339 -0.922 -1.550 1.00 0.00 H new ATOM 0 HA GLN C 48 24.755 -0.461 -3.130 1.00 0.00 H new ATOM 0 HB2 GLN C 48 24.889 -0.364 -0.094 1.00 0.00 H new ATOM 0 HB3 GLN C 48 26.168 -0.009 -1.239 1.00 0.00 H new ATOM 0 HG2 GLN C 48 23.685 1.685 -0.789 1.00 0.00 H new ATOM 0 HG3 GLN C 48 25.279 2.023 -0.144 1.00 0.00 H new ATOM 0 HE21 GLN C 48 23.475 3.562 -1.984 1.00 0.00 H new ATOM 0 HE22 GLN C 48 24.442 3.886 -3.426 1.00 0.00 H new ATOM 706 N TYR C 49 25.765 -2.642 -1.857 1.00 0.00 N ATOM 707 CA TYR C 49 26.068 -4.025 -1.530 1.00 0.00 C ATOM 708 C TYR C 49 26.163 -4.185 -0.019 1.00 0.00 C ATOM 709 O TYR C 49 26.906 -3.463 0.646 1.00 0.00 O ATOM 710 CB TYR C 49 27.363 -4.487 -2.222 1.00 0.00 C ATOM 711 CG TYR C 49 28.610 -3.726 -1.811 1.00 0.00 C ATOM 712 CD1 TYR C 49 28.856 -2.443 -2.285 1.00 0.00 C ATOM 713 CD2 TYR C 49 29.542 -4.296 -0.953 1.00 0.00 C ATOM 714 CE1 TYR C 49 29.994 -1.751 -1.913 1.00 0.00 C ATOM 715 CE2 TYR C 49 30.680 -3.611 -0.577 1.00 0.00 C ATOM 716 CZ TYR C 49 30.902 -2.339 -1.059 1.00 0.00 C ATOM 717 OH TYR C 49 32.035 -1.654 -0.684 1.00 0.00 O ATOM 0 H TYR C 49 26.583 -2.067 -2.059 1.00 0.00 H new ATOM 0 HA TYR C 49 25.262 -4.659 -1.899 1.00 0.00 H new ATOM 0 HB2 TYR C 49 27.514 -5.546 -2.010 1.00 0.00 H new ATOM 0 HB3 TYR C 49 27.236 -4.393 -3.300 1.00 0.00 H new ATOM 0 HD1 TYR C 49 28.147 -1.979 -2.955 1.00 0.00 H new ATOM 0 HD2 TYR C 49 29.373 -5.293 -0.573 1.00 0.00 H new ATOM 0 HE1 TYR C 49 30.170 -0.754 -2.290 1.00 0.00 H new ATOM 0 HE2 TYR C 49 31.393 -4.070 0.092 1.00 0.00 H new ATOM 0 HH TYR C 49 32.568 -2.210 -0.078 1.00 0.00 H new ATOM 727 N MET C 50 25.393 -5.111 0.526 1.00 0.00 N ATOM 728 CA MET C 50 25.331 -5.285 1.968 1.00 0.00 C ATOM 729 C MET C 50 25.715 -6.697 2.375 1.00 0.00 C ATOM 730 O MET C 50 25.615 -7.634 1.582 1.00 0.00 O ATOM 731 CB MET C 50 23.931 -4.950 2.491 1.00 0.00 C ATOM 732 CG MET C 50 23.579 -3.475 2.384 1.00 0.00 C ATOM 733 SD MET C 50 24.742 -2.417 3.271 1.00 0.00 S ATOM 734 CE MET C 50 24.541 -3.018 4.946 1.00 0.00 C ATOM 0 H MET C 50 24.804 -5.752 -0.005 1.00 0.00 H new ATOM 0 HA MET C 50 26.050 -4.597 2.413 1.00 0.00 H new ATOM 0 HB2 MET C 50 23.196 -5.532 1.935 1.00 0.00 H new ATOM 0 HB3 MET C 50 23.859 -5.258 3.534 1.00 0.00 H new ATOM 0 HG2 MET C 50 23.559 -3.185 1.333 1.00 0.00 H new ATOM 0 HG3 MET C 50 22.575 -3.315 2.778 1.00 0.00 H new ATOM 0 HE1 MET C 50 25.101 -2.381 5.631 1.00 0.00 H new ATOM 0 HE2 MET C 50 23.485 -3.000 5.215 1.00 0.00 H new ATOM 0 HE3 MET C 50 24.915 -4.040 5.013 1.00 0.00 H new ATOM 744 N SER C 51 26.153 -6.822 3.619 1.00 0.00 N ATOM 745 CA SER C 51 26.571 -8.090 4.197 1.00 0.00 C ATOM 746 C SER C 51 25.465 -9.142 4.151 1.00 0.00 C ATOM 747 O SER C 51 24.278 -8.821 4.186 1.00 0.00 O ATOM 748 CB SER C 51 26.998 -7.840 5.638 1.00 0.00 C ATOM 749 OG SER C 51 26.523 -6.576 6.087 1.00 0.00 O ATOM 0 H SER C 51 26.229 -6.035 4.264 1.00 0.00 H new ATOM 0 HA SER C 51 27.400 -8.483 3.609 1.00 0.00 H new ATOM 0 HB2 SER C 51 26.610 -8.630 6.281 1.00 0.00 H new ATOM 0 HB3 SER C 51 28.085 -7.874 5.712 1.00 0.00 H new ATOM 0 HG SER C 51 26.804 -6.432 7.015 1.00 0.00 H new ATOM 755 N ALA C 52 25.884 -10.402 4.095 1.00 0.00 N ATOM 756 CA ALA C 52 24.972 -11.532 3.994 1.00 0.00 C ATOM 757 C ALA C 52 24.087 -11.639 5.221 1.00 0.00 C ATOM 758 O ALA C 52 22.933 -12.040 5.123 1.00 0.00 O ATOM 759 CB ALA C 52 25.752 -12.822 3.794 1.00 0.00 C ATOM 0 H ALA C 52 26.869 -10.667 4.119 1.00 0.00 H new ATOM 0 HA ALA C 52 24.329 -11.367 3.130 1.00 0.00 H new ATOM 0 HB1 ALA C 52 25.058 -13.659 3.720 1.00 0.00 H new ATOM 0 HB2 ALA C 52 26.338 -12.754 2.877 1.00 0.00 H new ATOM 0 HB3 ALA C 52 26.420 -12.978 4.641 1.00 0.00 H new ATOM 765 N GLN C 53 24.632 -11.280 6.376 1.00 0.00 N ATOM 766 CA GLN C 53 23.844 -11.227 7.601 1.00 0.00 C ATOM 767 C GLN C 53 22.705 -10.231 7.429 1.00 0.00 C ATOM 768 O GLN C 53 21.567 -10.469 7.850 1.00 0.00 O ATOM 769 CB GLN C 53 24.720 -10.814 8.784 1.00 0.00 C ATOM 770 CG GLN C 53 25.841 -11.793 9.092 1.00 0.00 C ATOM 771 CD GLN C 53 26.751 -11.304 10.201 1.00 0.00 C ATOM 772 OE1 GLN C 53 26.321 -10.579 11.097 1.00 0.00 O ATOM 773 NE2 GLN C 53 28.014 -11.691 10.150 1.00 0.00 N ATOM 0 H GLN C 53 25.612 -11.022 6.491 1.00 0.00 H new ATOM 0 HA GLN C 53 23.436 -12.218 7.801 1.00 0.00 H new ATOM 0 HB2 GLN C 53 25.152 -9.835 8.579 1.00 0.00 H new ATOM 0 HB3 GLN C 53 24.092 -10.706 9.668 1.00 0.00 H new ATOM 0 HG2 GLN C 53 25.412 -12.754 9.376 1.00 0.00 H new ATOM 0 HG3 GLN C 53 26.430 -11.961 8.190 1.00 0.00 H new ATOM 0 HE21 GLN C 53 28.333 -12.293 9.391 1.00 0.00 H new ATOM 0 HE22 GLN C 53 28.670 -11.388 10.870 1.00 0.00 H new ATOM 782 N THR C 54 23.020 -9.137 6.757 1.00 0.00 N ATOM 783 CA THR C 54 22.070 -8.069 6.537 1.00 0.00 C ATOM 784 C THR C 54 21.040 -8.495 5.501 1.00 0.00 C ATOM 785 O THR C 54 19.843 -8.272 5.663 1.00 0.00 O ATOM 786 CB THR C 54 22.790 -6.794 6.062 1.00 0.00 C ATOM 787 OG1 THR C 54 23.937 -6.557 6.891 1.00 0.00 O ATOM 788 CG2 THR C 54 21.862 -5.589 6.115 1.00 0.00 C ATOM 0 H THR C 54 23.940 -8.968 6.351 1.00 0.00 H new ATOM 0 HA THR C 54 21.566 -7.855 7.479 1.00 0.00 H new ATOM 0 HB THR C 54 23.102 -6.939 5.028 1.00 0.00 H new ATOM 0 HG1 THR C 54 24.752 -6.640 6.353 1.00 0.00 H new ATOM 0 HG21 THR C 54 22.397 -4.703 5.774 1.00 0.00 H new ATOM 0 HG22 THR C 54 21.001 -5.764 5.470 1.00 0.00 H new ATOM 0 HG23 THR C 54 21.522 -5.436 7.139 1.00 0.00 H new ATOM 796 N VAL C 55 21.517 -9.164 4.462 1.00 0.00 N ATOM 797 CA VAL C 55 20.659 -9.572 3.355 1.00 0.00 C ATOM 798 C VAL C 55 19.833 -10.799 3.744 1.00 0.00 C ATOM 799 O VAL C 55 18.885 -11.171 3.062 1.00 0.00 O ATOM 800 CB VAL C 55 21.501 -9.865 2.076 1.00 0.00 C ATOM 801 CG1 VAL C 55 20.661 -10.380 0.900 1.00 0.00 C ATOM 802 CG2 VAL C 55 22.269 -8.620 1.660 1.00 0.00 C ATOM 0 H VAL C 55 22.495 -9.437 4.360 1.00 0.00 H new ATOM 0 HA VAL C 55 19.979 -8.750 3.132 1.00 0.00 H new ATOM 0 HB VAL C 55 22.195 -10.664 2.338 1.00 0.00 H new ATOM 0 HG11 VAL C 55 21.309 -10.564 0.043 1.00 0.00 H new ATOM 0 HG12 VAL C 55 20.165 -11.308 1.186 1.00 0.00 H new ATOM 0 HG13 VAL C 55 19.911 -9.635 0.635 1.00 0.00 H new ATOM 0 HG21 VAL C 55 22.854 -8.835 0.766 1.00 0.00 H new ATOM 0 HG22 VAL C 55 21.567 -7.813 1.449 1.00 0.00 H new ATOM 0 HG23 VAL C 55 22.937 -8.318 2.467 1.00 0.00 H new ATOM 812 N ALA C 56 20.188 -11.419 4.855 1.00 0.00 N ATOM 813 CA ALA C 56 19.452 -12.572 5.340 1.00 0.00 C ATOM 814 C ALA C 56 18.138 -12.135 5.954 1.00 0.00 C ATOM 815 O ALA C 56 17.122 -12.819 5.830 1.00 0.00 O ATOM 816 CB ALA C 56 20.274 -13.357 6.345 1.00 0.00 C ATOM 0 H ALA C 56 20.979 -11.144 5.437 1.00 0.00 H new ATOM 0 HA ALA C 56 19.242 -13.225 4.493 1.00 0.00 H new ATOM 0 HB1 ALA C 56 19.700 -14.216 6.693 1.00 0.00 H new ATOM 0 HB2 ALA C 56 21.193 -13.703 5.872 1.00 0.00 H new ATOM 0 HB3 ALA C 56 20.520 -12.717 7.193 1.00 0.00 H new ATOM 822 N VAL C 57 18.164 -10.986 6.609 1.00 0.00 N ATOM 823 CA VAL C 57 16.951 -10.442 7.204 1.00 0.00 C ATOM 824 C VAL C 57 16.266 -9.503 6.224 1.00 0.00 C ATOM 825 O VAL C 57 15.040 -9.426 6.168 1.00 0.00 O ATOM 826 CB VAL C 57 17.234 -9.662 8.506 1.00 0.00 C ATOM 827 CG1 VAL C 57 15.957 -9.478 9.311 1.00 0.00 C ATOM 828 CG2 VAL C 57 18.310 -10.349 9.334 1.00 0.00 C ATOM 0 H VAL C 57 19.000 -10.417 6.742 1.00 0.00 H new ATOM 0 HA VAL C 57 16.310 -11.291 7.442 1.00 0.00 H new ATOM 0 HB VAL C 57 17.607 -8.675 8.234 1.00 0.00 H new ATOM 0 HG11 VAL C 57 16.179 -8.926 10.224 1.00 0.00 H new ATOM 0 HG12 VAL C 57 15.230 -8.922 8.719 1.00 0.00 H new ATOM 0 HG13 VAL C 57 15.545 -10.454 9.568 1.00 0.00 H new ATOM 0 HG21 VAL C 57 18.488 -9.778 10.245 1.00 0.00 H new ATOM 0 HG22 VAL C 57 17.981 -11.355 9.595 1.00 0.00 H new ATOM 0 HG23 VAL C 57 19.232 -10.407 8.756 1.00 0.00 H new ATOM 838 N PHE C 58 17.070 -8.806 5.433 1.00 0.00 N ATOM 839 CA PHE C 58 16.554 -7.771 4.553 1.00 0.00 C ATOM 840 C PHE C 58 16.523 -8.223 3.101 1.00 0.00 C ATOM 841 O PHE C 58 16.553 -7.396 2.196 1.00 0.00 O ATOM 842 CB PHE C 58 17.382 -6.494 4.680 1.00 0.00 C ATOM 843 CG PHE C 58 17.139 -5.741 5.958 1.00 0.00 C ATOM 844 CD1 PHE C 58 16.076 -4.856 6.060 1.00 0.00 C ATOM 845 CD2 PHE C 58 17.970 -5.913 7.053 1.00 0.00 C ATOM 846 CE1 PHE C 58 15.847 -4.159 7.229 1.00 0.00 C ATOM 847 CE2 PHE C 58 17.745 -5.218 8.225 1.00 0.00 C ATOM 848 CZ PHE C 58 16.683 -4.340 8.313 1.00 0.00 C ATOM 0 H PHE C 58 18.080 -8.939 5.384 1.00 0.00 H new ATOM 0 HA PHE C 58 15.529 -7.569 4.864 1.00 0.00 H new ATOM 0 HB2 PHE C 58 18.440 -6.749 4.615 1.00 0.00 H new ATOM 0 HB3 PHE C 58 17.159 -5.841 3.836 1.00 0.00 H new ATOM 0 HD1 PHE C 58 15.420 -4.711 5.215 1.00 0.00 H new ATOM 0 HD2 PHE C 58 18.803 -6.598 6.989 1.00 0.00 H new ATOM 0 HE1 PHE C 58 15.015 -3.473 7.296 1.00 0.00 H new ATOM 0 HE2 PHE C 58 18.399 -5.361 9.072 1.00 0.00 H new ATOM 0 HZ PHE C 58 16.506 -3.795 9.229 1.00 0.00 H new ATOM 858 N LYS C 59 16.498 -9.536 2.895 1.00 0.00 N ATOM 859 CA LYS C 59 16.318 -10.117 1.560 1.00 0.00 C ATOM 860 C LYS C 59 15.058 -9.562 0.884 1.00 0.00 C ATOM 861 O LYS C 59 13.941 -9.892 1.273 1.00 0.00 O ATOM 862 CB LYS C 59 16.226 -11.645 1.656 1.00 0.00 C ATOM 863 CG LYS C 59 15.205 -12.132 2.673 1.00 0.00 C ATOM 864 CD LYS C 59 15.063 -13.639 2.650 1.00 0.00 C ATOM 865 CE LYS C 59 14.108 -14.115 3.732 1.00 0.00 C ATOM 866 NZ LYS C 59 14.004 -15.596 3.770 1.00 0.00 N ATOM 0 H LYS C 59 16.601 -10.226 3.639 1.00 0.00 H new ATOM 0 HA LYS C 59 17.182 -9.845 0.954 1.00 0.00 H new ATOM 0 HB2 LYS C 59 15.970 -12.047 0.676 1.00 0.00 H new ATOM 0 HB3 LYS C 59 17.206 -12.044 1.918 1.00 0.00 H new ATOM 0 HG2 LYS C 59 15.504 -11.810 3.671 1.00 0.00 H new ATOM 0 HG3 LYS C 59 14.238 -11.673 2.466 1.00 0.00 H new ATOM 0 HD2 LYS C 59 14.699 -13.958 1.673 1.00 0.00 H new ATOM 0 HD3 LYS C 59 16.039 -14.102 2.793 1.00 0.00 H new ATOM 0 HE2 LYS C 59 14.448 -13.750 4.701 1.00 0.00 H new ATOM 0 HE3 LYS C 59 13.121 -13.687 3.558 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 13.343 -15.878 4.522 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 13.655 -15.943 2.854 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 14.941 -16.005 3.961 1.00 0.00 H new ATOM 880 N PRO C 60 15.214 -8.698 -0.126 1.00 0.00 N ATOM 881 CA PRO C 60 14.104 -8.062 -0.802 1.00 0.00 C ATOM 882 C PRO C 60 13.665 -8.829 -2.045 1.00 0.00 C ATOM 883 O PRO C 60 13.900 -10.032 -2.175 1.00 0.00 O ATOM 884 CB PRO C 60 14.697 -6.697 -1.202 1.00 0.00 C ATOM 885 CG PRO C 60 16.167 -6.779 -0.917 1.00 0.00 C ATOM 886 CD PRO C 60 16.468 -8.232 -0.700 1.00 0.00 C ATOM 0 HA PRO C 60 13.214 -8.004 -0.176 1.00 0.00 H new ATOM 0 HB2 PRO C 60 14.516 -6.488 -2.256 1.00 0.00 H new ATOM 0 HB3 PRO C 60 14.235 -5.890 -0.633 1.00 0.00 H new ATOM 0 HG2 PRO C 60 16.748 -6.381 -1.749 1.00 0.00 H new ATOM 0 HG3 PRO C 60 16.427 -6.191 -0.036 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.711 -8.745 -1.630 1.00 0.00 H new ATOM 0 HD3 PRO C 60 17.310 -8.381 -0.025 1.00 0.00 H new ATOM 894 N GLU C 61 13.038 -8.106 -2.956 1.00 0.00 N ATOM 895 CA GLU C 61 12.523 -8.669 -4.198 1.00 0.00 C ATOM 896 C GLU C 61 12.697 -7.671 -5.333 1.00 0.00 C ATOM 897 O GLU C 61 12.323 -6.504 -5.206 1.00 0.00 O ATOM 898 CB GLU C 61 11.042 -9.038 -4.072 1.00 0.00 C ATOM 899 CG GLU C 61 10.775 -10.286 -3.245 1.00 0.00 C ATOM 900 CD GLU C 61 9.327 -10.724 -3.316 1.00 0.00 C ATOM 901 OE1 GLU C 61 8.713 -10.955 -2.251 1.00 0.00 O ATOM 902 OE2 GLU C 61 8.791 -10.835 -4.441 1.00 0.00 O ATOM 0 H GLU C 61 12.869 -7.105 -2.857 1.00 0.00 H new ATOM 0 HA GLU C 61 13.088 -9.576 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU C 61 10.508 -8.199 -3.625 1.00 0.00 H new ATOM 0 HB3 GLU C 61 10.630 -9.183 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU C 61 11.415 -11.096 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU C 61 11.044 -10.095 -2.206 1.00 0.00 H new ATOM 909 N VAL C 62 13.256 -8.133 -6.438 1.00 0.00 N ATOM 910 CA VAL C 62 13.509 -7.282 -7.585 1.00 0.00 C ATOM 911 C VAL C 62 12.209 -6.981 -8.313 1.00 0.00 C ATOM 912 O VAL C 62 11.692 -7.811 -9.064 1.00 0.00 O ATOM 913 CB VAL C 62 14.512 -7.931 -8.559 1.00 0.00 C ATOM 914 CG1 VAL C 62 14.784 -7.017 -9.744 1.00 0.00 C ATOM 915 CG2 VAL C 62 15.804 -8.270 -7.838 1.00 0.00 C ATOM 0 H VAL C 62 13.545 -9.103 -6.564 1.00 0.00 H new ATOM 0 HA VAL C 62 13.944 -6.353 -7.218 1.00 0.00 H new ATOM 0 HB VAL C 62 14.074 -8.854 -8.938 1.00 0.00 H new ATOM 0 HG11 VAL C 62 15.495 -7.496 -10.418 1.00 0.00 H new ATOM 0 HG12 VAL C 62 13.853 -6.824 -10.276 1.00 0.00 H new ATOM 0 HG13 VAL C 62 15.200 -6.074 -9.388 1.00 0.00 H new ATOM 0 HG21 VAL C 62 16.502 -8.728 -8.539 1.00 0.00 H new ATOM 0 HG22 VAL C 62 16.243 -7.359 -7.431 1.00 0.00 H new ATOM 0 HG23 VAL C 62 15.596 -8.967 -7.026 1.00 0.00 H new ATOM 925 N GLY C 63 11.681 -5.801 -8.062 1.00 0.00 N ATOM 926 CA GLY C 63 10.438 -5.395 -8.681 1.00 0.00 C ATOM 927 C GLY C 63 9.419 -4.921 -7.667 1.00 0.00 C ATOM 928 O GLY C 63 8.535 -4.128 -7.990 1.00 0.00 O ATOM 0 H GLY C 63 12.092 -5.109 -7.436 1.00 0.00 H new ATOM 0 HA2 GLY C 63 10.635 -4.596 -9.396 1.00 0.00 H new ATOM 0 HA3 GLY C 63 10.025 -6.232 -9.244 1.00 0.00 H new ATOM 932 N GLY C 64 9.545 -5.400 -6.435 1.00 0.00 N ATOM 933 CA GLY C 64 8.621 -5.019 -5.400 1.00 0.00 C ATOM 934 C GLY C 64 8.990 -3.701 -4.763 1.00 0.00 C ATOM 935 O GLY C 64 9.818 -2.950 -5.283 1.00 0.00 O ATOM 0 H GLY C 64 10.276 -6.048 -6.140 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.617 -4.950 -5.819 1.00 0.00 H new ATOM 0 HA3 GLY C 64 8.594 -5.795 -4.635 1.00 0.00 H new ATOM 939 N TYR C 65 8.387 -3.432 -3.627 1.00 0.00 N ATOM 940 CA TYR C 65 8.590 -2.175 -2.931 1.00 0.00 C ATOM 941 C TYR C 65 9.110 -2.419 -1.525 1.00 0.00 C ATOM 942 O TYR C 65 8.526 -3.193 -0.764 1.00 0.00 O ATOM 943 CB TYR C 65 7.283 -1.387 -2.853 1.00 0.00 C ATOM 944 CG TYR C 65 6.724 -0.992 -4.200 1.00 0.00 C ATOM 945 CD1 TYR C 65 7.164 0.157 -4.846 1.00 0.00 C ATOM 946 CD2 TYR C 65 5.751 -1.763 -4.821 1.00 0.00 C ATOM 947 CE1 TYR C 65 6.649 0.524 -6.072 1.00 0.00 C ATOM 948 CE2 TYR C 65 5.234 -1.404 -6.047 1.00 0.00 C ATOM 949 CZ TYR C 65 5.684 -0.262 -6.667 1.00 0.00 C ATOM 950 OH TYR C 65 5.165 0.099 -7.886 1.00 0.00 O ATOM 0 H TYR C 65 7.745 -4.072 -3.159 1.00 0.00 H new ATOM 0 HA TYR C 65 9.326 -1.599 -3.491 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.541 -1.985 -2.324 1.00 0.00 H new ATOM 0 HB3 TYR C 65 7.448 -0.487 -2.261 1.00 0.00 H new ATOM 0 HD1 TYR C 65 7.921 0.772 -4.381 1.00 0.00 H new ATOM 0 HD2 TYR C 65 5.393 -2.659 -4.335 1.00 0.00 H new ATOM 0 HE1 TYR C 65 6.999 1.420 -6.563 1.00 0.00 H new ATOM 0 HE2 TYR C 65 4.479 -2.016 -6.518 1.00 0.00 H new ATOM 0 HH TYR C 65 4.497 -0.562 -8.166 1.00 0.00 H new ATOM 960 N LEU C 66 10.219 -1.787 -1.190 1.00 0.00 N ATOM 961 CA LEU C 66 10.681 -1.756 0.184 1.00 0.00 C ATOM 962 C LEU C 66 10.127 -0.486 0.803 1.00 0.00 C ATOM 963 O LEU C 66 10.074 0.537 0.133 1.00 0.00 O ATOM 964 CB LEU C 66 12.212 -1.789 0.239 1.00 0.00 C ATOM 965 CG LEU C 66 12.822 -2.083 1.615 1.00 0.00 C ATOM 966 CD1 LEU C 66 14.150 -2.807 1.461 1.00 0.00 C ATOM 967 CD2 LEU C 66 13.018 -0.798 2.407 1.00 0.00 C ATOM 0 H LEU C 66 10.816 -1.289 -1.850 1.00 0.00 H new ATOM 0 HA LEU C 66 10.334 -2.629 0.738 1.00 0.00 H new ATOM 0 HB2 LEU C 66 12.566 -2.543 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU C 66 12.590 -0.827 -0.108 1.00 0.00 H new ATOM 0 HG LEU C 66 12.130 -2.723 2.162 1.00 0.00 H new ATOM 0 HD11 LEU C 66 14.571 -3.009 2.446 1.00 0.00 H new ATOM 0 HD12 LEU C 66 13.992 -3.748 0.934 1.00 0.00 H new ATOM 0 HD13 LEU C 66 14.840 -2.184 0.892 1.00 0.00 H new ATOM 0 HD21 LEU C 66 13.452 -1.032 3.379 1.00 0.00 H new ATOM 0 HD22 LEU C 66 13.688 -0.133 1.862 1.00 0.00 H new ATOM 0 HD23 LEU C 66 12.055 -0.307 2.548 1.00 0.00 H new ATOM 979 N PHE C 67 9.681 -0.531 2.043 1.00 0.00 N ATOM 980 CA PHE C 67 9.008 0.627 2.607 1.00 0.00 C ATOM 981 C PHE C 67 9.440 0.918 4.034 1.00 0.00 C ATOM 982 O PHE C 67 9.978 0.054 4.731 1.00 0.00 O ATOM 983 CB PHE C 67 7.489 0.445 2.530 1.00 0.00 C ATOM 984 CG PHE C 67 6.965 -0.756 3.266 1.00 0.00 C ATOM 985 CD1 PHE C 67 6.696 -0.696 4.625 1.00 0.00 C ATOM 986 CD2 PHE C 67 6.732 -1.940 2.592 1.00 0.00 C ATOM 987 CE1 PHE C 67 6.205 -1.799 5.296 1.00 0.00 C ATOM 988 CE2 PHE C 67 6.243 -3.048 3.257 1.00 0.00 C ATOM 989 CZ PHE C 67 5.979 -2.977 4.611 1.00 0.00 C ATOM 0 H PHE C 67 9.768 -1.333 2.667 1.00 0.00 H new ATOM 0 HA PHE C 67 9.299 1.491 2.009 1.00 0.00 H new ATOM 0 HB2 PHE C 67 7.008 1.338 2.930 1.00 0.00 H new ATOM 0 HB3 PHE C 67 7.198 0.368 1.482 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.872 0.223 5.165 1.00 0.00 H new ATOM 0 HD2 PHE C 67 6.935 -2.000 1.533 1.00 0.00 H new ATOM 0 HE1 PHE C 67 5.998 -1.740 6.354 1.00 0.00 H new ATOM 0 HE2 PHE C 67 6.067 -3.968 2.719 1.00 0.00 H new ATOM 0 HZ PHE C 67 5.596 -3.841 5.133 1.00 0.00 H new ATOM 999 N ARG C 68 9.203 2.158 4.446 1.00 0.00 N ATOM 1000 CA ARG C 68 9.484 2.599 5.801 1.00 0.00 C ATOM 1001 C ARG C 68 8.358 3.494 6.295 1.00 0.00 C ATOM 1002 O ARG C 68 7.885 4.367 5.563 1.00 0.00 O ATOM 1003 CB ARG C 68 10.810 3.362 5.857 1.00 0.00 C ATOM 1004 CG ARG C 68 11.074 4.005 7.209 1.00 0.00 C ATOM 1005 CD ARG C 68 12.395 4.755 7.238 1.00 0.00 C ATOM 1006 NE ARG C 68 12.577 5.477 8.497 1.00 0.00 N ATOM 1007 CZ ARG C 68 13.763 5.759 9.036 1.00 0.00 C ATOM 1008 NH1 ARG C 68 14.882 5.390 8.424 1.00 0.00 N ATOM 1009 NH2 ARG C 68 13.828 6.416 10.187 1.00 0.00 N ATOM 0 H ARG C 68 8.810 2.884 3.847 1.00 0.00 H new ATOM 0 HA ARG C 68 9.560 1.721 6.442 1.00 0.00 H new ATOM 0 HB2 ARG C 68 11.626 2.678 5.622 1.00 0.00 H new ATOM 0 HB3 ARG C 68 10.810 4.135 5.088 1.00 0.00 H new ATOM 0 HG2 ARG C 68 10.262 4.692 7.448 1.00 0.00 H new ATOM 0 HG3 ARG C 68 11.078 3.236 7.981 1.00 0.00 H new ATOM 0 HD2 ARG C 68 13.216 4.052 7.099 1.00 0.00 H new ATOM 0 HD3 ARG C 68 12.433 5.458 6.406 1.00 0.00 H new ATOM 0 HE ARG C 68 11.742 5.785 8.995 1.00 0.00 H new ATOM 0 HH11 ARG C 68 14.837 4.888 7.537 1.00 0.00 H new ATOM 0 HH12 ARG C 68 15.787 5.608 8.841 1.00 0.00 H new ATOM 0 HH21 ARG C 68 12.971 6.705 10.659 1.00 0.00 H new ATOM 0 HH22 ARG C 68 14.735 6.632 10.600 1.00 0.00 H new ATOM 1023 N SER C 69 7.923 3.274 7.525 1.00 0.00 N ATOM 1024 CA SER C 69 6.882 4.098 8.110 1.00 0.00 C ATOM 1025 C SER C 69 7.453 5.025 9.169 1.00 0.00 C ATOM 1026 O SER C 69 8.657 5.011 9.433 1.00 0.00 O ATOM 1027 CB SER C 69 5.785 3.229 8.726 1.00 0.00 C ATOM 1028 OG SER C 69 6.302 2.418 9.768 1.00 0.00 O ATOM 0 H SER C 69 8.274 2.535 8.134 1.00 0.00 H new ATOM 0 HA SER C 69 6.451 4.701 7.311 1.00 0.00 H new ATOM 0 HB2 SER C 69 4.989 3.864 9.116 1.00 0.00 H new ATOM 0 HB3 SER C 69 5.341 2.598 7.956 1.00 0.00 H new ATOM 0 HG SER C 69 5.581 1.873 10.147 1.00 0.00 H new ATOM 1034 N GLN C 70 6.583 5.803 9.788 1.00 0.00 N ATOM 1035 CA GLN C 70 6.986 6.721 10.846 1.00 0.00 C ATOM 1036 C GLN C 70 7.495 5.951 12.060 1.00 0.00 C ATOM 1037 O GLN C 70 8.349 6.431 12.805 1.00 0.00 O ATOM 1038 CB GLN C 70 5.816 7.619 11.245 1.00 0.00 C ATOM 1039 CG GLN C 70 5.302 8.480 10.105 1.00 0.00 C ATOM 1040 CD GLN C 70 4.168 9.396 10.518 1.00 0.00 C ATOM 1041 OE1 GLN C 70 4.013 10.490 9.981 1.00 0.00 O ATOM 1042 NE2 GLN C 70 3.366 8.960 11.472 1.00 0.00 N ATOM 0 H GLN C 70 5.585 5.819 9.576 1.00 0.00 H new ATOM 0 HA GLN C 70 7.795 7.346 10.468 1.00 0.00 H new ATOM 0 HB2 GLN C 70 5.001 6.998 11.618 1.00 0.00 H new ATOM 0 HB3 GLN C 70 6.126 8.264 12.067 1.00 0.00 H new ATOM 0 HG2 GLN C 70 6.122 9.081 9.713 1.00 0.00 H new ATOM 0 HG3 GLN C 70 4.963 7.835 9.294 1.00 0.00 H new ATOM 0 HE21 GLN C 70 3.526 8.046 11.895 1.00 0.00 H new ATOM 0 HE22 GLN C 70 2.586 9.538 11.786 1.00 0.00 H new ATOM 1051 N TYR C 71 6.980 4.741 12.236 1.00 0.00 N ATOM 1052 CA TYR C 71 7.388 3.888 13.343 1.00 0.00 C ATOM 1053 C TYR C 71 8.761 3.286 13.077 1.00 0.00 C ATOM 1054 O TYR C 71 9.414 2.764 13.980 1.00 0.00 O ATOM 1055 CB TYR C 71 6.369 2.767 13.557 1.00 0.00 C ATOM 1056 CG TYR C 71 4.978 3.259 13.885 1.00 0.00 C ATOM 1057 CD1 TYR C 71 4.031 3.443 12.885 1.00 0.00 C ATOM 1058 CD2 TYR C 71 4.612 3.539 15.194 1.00 0.00 C ATOM 1059 CE1 TYR C 71 2.758 3.891 13.183 1.00 0.00 C ATOM 1060 CE2 TYR C 71 3.342 3.987 15.500 1.00 0.00 C ATOM 1061 CZ TYR C 71 2.419 4.161 14.493 1.00 0.00 C ATOM 1062 OH TYR C 71 1.155 4.610 14.796 1.00 0.00 O ATOM 0 H TYR C 71 6.277 4.328 11.624 1.00 0.00 H new ATOM 0 HA TYR C 71 7.438 4.501 14.243 1.00 0.00 H new ATOM 0 HB2 TYR C 71 6.324 2.153 12.657 1.00 0.00 H new ATOM 0 HB3 TYR C 71 6.716 2.123 14.365 1.00 0.00 H new ATOM 0 HD1 TYR C 71 4.294 3.233 11.859 1.00 0.00 H new ATOM 0 HD2 TYR C 71 5.333 3.404 15.987 1.00 0.00 H new ATOM 0 HE1 TYR C 71 2.033 4.029 12.395 1.00 0.00 H new ATOM 0 HE2 TYR C 71 3.074 4.200 16.524 1.00 0.00 H new ATOM 0 HH TYR C 71 1.081 4.751 15.763 1.00 0.00 H new ATOM 1072 N GLY C 72 9.197 3.376 11.830 1.00 0.00 N ATOM 1073 CA GLY C 72 10.471 2.811 11.449 1.00 0.00 C ATOM 1074 C GLY C 72 10.329 1.394 10.946 1.00 0.00 C ATOM 1075 O GLY C 72 11.293 0.630 10.948 1.00 0.00 O ATOM 0 H GLY C 72 8.688 3.833 11.073 1.00 0.00 H new ATOM 0 HA2 GLY C 72 10.925 3.428 10.674 1.00 0.00 H new ATOM 0 HA3 GLY C 72 11.146 2.827 12.305 1.00 0.00 H new ATOM 1079 N GLU C 73 9.119 1.043 10.524 1.00 0.00 N ATOM 1080 CA GLU C 73 8.854 -0.282 9.991 1.00 0.00 C ATOM 1081 C GLU C 73 9.543 -0.445 8.646 1.00 0.00 C ATOM 1082 O GLU C 73 9.067 0.066 7.633 1.00 0.00 O ATOM 1083 CB GLU C 73 7.350 -0.510 9.827 1.00 0.00 C ATOM 1084 CG GLU C 73 6.985 -1.952 9.518 1.00 0.00 C ATOM 1085 CD GLU C 73 7.291 -2.887 10.670 1.00 0.00 C ATOM 1086 OE1 GLU C 73 8.472 -3.254 10.857 1.00 0.00 O ATOM 1087 OE2 GLU C 73 6.347 -3.263 11.397 1.00 0.00 O ATOM 0 H GLU C 73 8.307 1.661 10.542 1.00 0.00 H new ATOM 0 HA GLU C 73 9.244 -1.019 10.693 1.00 0.00 H new ATOM 0 HB2 GLU C 73 6.842 -0.203 10.741 1.00 0.00 H new ATOM 0 HB3 GLU C 73 6.979 0.130 9.026 1.00 0.00 H new ATOM 0 HG2 GLU C 73 5.923 -2.011 9.278 1.00 0.00 H new ATOM 0 HG3 GLU C 73 7.531 -2.280 8.633 1.00 0.00 H new ATOM 1094 N LEU C 74 10.678 -1.125 8.648 1.00 0.00 N ATOM 1095 CA LEU C 74 11.409 -1.373 7.421 1.00 0.00 C ATOM 1096 C LEU C 74 11.210 -2.795 6.951 1.00 0.00 C ATOM 1097 O LEU C 74 11.709 -3.750 7.550 1.00 0.00 O ATOM 1098 CB LEU C 74 12.884 -1.050 7.593 1.00 0.00 C ATOM 1099 CG LEU C 74 13.189 0.425 7.402 1.00 0.00 C ATOM 1100 CD1 LEU C 74 14.462 0.819 8.133 1.00 0.00 C ATOM 1101 CD2 LEU C 74 13.302 0.753 5.923 1.00 0.00 C ATOM 0 H LEU C 74 11.111 -1.514 9.486 1.00 0.00 H new ATOM 0 HA LEU C 74 11.012 -0.711 6.651 1.00 0.00 H new ATOM 0 HB2 LEU C 74 13.205 -1.357 8.589 1.00 0.00 H new ATOM 0 HB3 LEU C 74 13.465 -1.632 6.877 1.00 0.00 H new ATOM 0 HG LEU C 74 12.366 1.000 7.827 1.00 0.00 H new ATOM 0 HD11 LEU C 74 14.656 1.880 7.979 1.00 0.00 H new ATOM 0 HD12 LEU C 74 14.345 0.622 9.199 1.00 0.00 H new ATOM 0 HD13 LEU C 74 15.299 0.237 7.746 1.00 0.00 H new ATOM 0 HD21 LEU C 74 13.521 1.814 5.801 1.00 0.00 H new ATOM 0 HD22 LEU C 74 14.105 0.164 5.480 1.00 0.00 H new ATOM 0 HD23 LEU C 74 12.361 0.517 5.425 1.00 0.00 H new ATOM 1113 N LEU C 75 10.458 -2.912 5.879 1.00 0.00 N ATOM 1114 CA LEU C 75 10.090 -4.203 5.317 1.00 0.00 C ATOM 1115 C LEU C 75 9.987 -4.105 3.802 1.00 0.00 C ATOM 1116 O LEU C 75 10.145 -3.028 3.229 1.00 0.00 O ATOM 1117 CB LEU C 75 8.748 -4.677 5.887 1.00 0.00 C ATOM 1118 CG LEU C 75 8.737 -5.036 7.374 1.00 0.00 C ATOM 1119 CD1 LEU C 75 7.318 -5.321 7.839 1.00 0.00 C ATOM 1120 CD2 LEU C 75 9.628 -6.240 7.640 1.00 0.00 C ATOM 0 H LEU C 75 10.081 -2.115 5.367 1.00 0.00 H new ATOM 0 HA LEU C 75 10.864 -4.923 5.583 1.00 0.00 H new ATOM 0 HB2 LEU C 75 8.008 -3.895 5.718 1.00 0.00 H new ATOM 0 HB3 LEU C 75 8.424 -5.550 5.321 1.00 0.00 H new ATOM 0 HG LEU C 75 9.126 -4.186 7.935 1.00 0.00 H new ATOM 0 HD11 LEU C 75 7.327 -5.575 8.899 1.00 0.00 H new ATOM 0 HD12 LEU C 75 6.699 -4.437 7.683 1.00 0.00 H new ATOM 0 HD13 LEU C 75 6.909 -6.155 7.269 1.00 0.00 H new ATOM 0 HD21 LEU C 75 9.607 -6.480 8.703 1.00 0.00 H new ATOM 0 HD22 LEU C 75 9.266 -7.094 7.068 1.00 0.00 H new ATOM 0 HD23 LEU C 75 10.650 -6.010 7.340 1.00 0.00 H new ATOM 1132 N TYR C 76 9.710 -5.229 3.163 1.00 0.00 N ATOM 1133 CA TYR C 76 9.540 -5.268 1.721 1.00 0.00 C ATOM 1134 C TYR C 76 8.248 -5.997 1.386 1.00 0.00 C ATOM 1135 O TYR C 76 7.875 -6.954 2.067 1.00 0.00 O ATOM 1136 CB TYR C 76 10.733 -5.963 1.050 1.00 0.00 C ATOM 1137 CG TYR C 76 10.816 -7.445 1.348 1.00 0.00 C ATOM 1138 CD1 TYR C 76 10.299 -8.378 0.457 1.00 0.00 C ATOM 1139 CD2 TYR C 76 11.393 -7.909 2.523 1.00 0.00 C ATOM 1140 CE1 TYR C 76 10.355 -9.729 0.727 1.00 0.00 C ATOM 1141 CE2 TYR C 76 11.455 -9.261 2.800 1.00 0.00 C ATOM 1142 CZ TYR C 76 10.934 -10.167 1.900 1.00 0.00 C ATOM 1143 OH TYR C 76 10.996 -11.516 2.175 1.00 0.00 O ATOM 0 H TYR C 76 9.598 -6.132 3.624 1.00 0.00 H new ATOM 0 HA TYR C 76 9.490 -4.247 1.343 1.00 0.00 H new ATOM 0 HB2 TYR C 76 10.666 -5.821 -0.029 1.00 0.00 H new ATOM 0 HB3 TYR C 76 11.655 -5.483 1.378 1.00 0.00 H new ATOM 0 HD1 TYR C 76 9.846 -8.039 -0.463 1.00 0.00 H new ATOM 0 HD2 TYR C 76 11.799 -7.202 3.231 1.00 0.00 H new ATOM 0 HE1 TYR C 76 9.948 -10.440 0.024 1.00 0.00 H new ATOM 0 HE2 TYR C 76 11.909 -9.607 3.717 1.00 0.00 H new ATOM 0 HH TYR C 76 11.435 -11.654 3.040 1.00 0.00 H new ATOM 1153 N MET C 77 7.561 -5.546 0.356 1.00 0.00 N ATOM 1154 CA MET C 77 6.327 -6.185 -0.056 1.00 0.00 C ATOM 1155 C MET C 77 6.130 -6.065 -1.557 1.00 0.00 C ATOM 1156 O MET C 77 6.375 -5.009 -2.148 1.00 0.00 O ATOM 1157 CB MET C 77 5.138 -5.567 0.682 1.00 0.00 C ATOM 1158 CG MET C 77 3.827 -6.288 0.420 1.00 0.00 C ATOM 1159 SD MET C 77 3.903 -8.041 0.841 1.00 0.00 S ATOM 1160 CE MET C 77 4.284 -7.951 2.588 1.00 0.00 C ATOM 0 H MET C 77 7.835 -4.742 -0.210 1.00 0.00 H new ATOM 0 HA MET C 77 6.391 -7.243 0.198 1.00 0.00 H new ATOM 0 HB2 MET C 77 5.341 -5.574 1.753 1.00 0.00 H new ATOM 0 HB3 MET C 77 5.037 -4.524 0.384 1.00 0.00 H new ATOM 0 HG2 MET C 77 3.034 -5.813 0.998 1.00 0.00 H new ATOM 0 HG3 MET C 77 3.562 -6.182 -0.632 1.00 0.00 H new ATOM 0 HE1 MET C 77 4.087 -8.917 3.054 1.00 0.00 H new ATOM 0 HE2 MET C 77 5.335 -7.693 2.718 1.00 0.00 H new ATOM 0 HE3 MET C 77 3.662 -7.188 3.057 1.00 0.00 H new ATOM 1170 N SER C 78 5.720 -7.162 -2.170 1.00 0.00 N ATOM 1171 CA SER C 78 5.377 -7.175 -3.580 1.00 0.00 C ATOM 1172 C SER C 78 4.089 -6.383 -3.817 1.00 0.00 C ATOM 1173 O SER C 78 3.233 -6.308 -2.931 1.00 0.00 O ATOM 1174 CB SER C 78 5.243 -8.618 -4.063 1.00 0.00 C ATOM 1175 OG SER C 78 4.554 -9.416 -3.113 1.00 0.00 O ATOM 0 H SER C 78 5.616 -8.064 -1.706 1.00 0.00 H new ATOM 0 HA SER C 78 6.171 -6.696 -4.153 1.00 0.00 H new ATOM 0 HB2 SER C 78 4.710 -8.638 -5.013 1.00 0.00 H new ATOM 0 HB3 SER C 78 6.233 -9.037 -4.244 1.00 0.00 H new ATOM 0 HG SER C 78 4.481 -10.334 -3.448 1.00 0.00 H new ATOM 1181 N LYS C 79 3.961 -5.794 -5.006 1.00 0.00 N ATOM 1182 CA LYS C 79 2.927 -4.787 -5.266 1.00 0.00 C ATOM 1183 C LYS C 79 1.521 -5.249 -4.887 1.00 0.00 C ATOM 1184 O LYS C 79 0.741 -4.458 -4.366 1.00 0.00 O ATOM 1185 CB LYS C 79 2.930 -4.347 -6.729 1.00 0.00 C ATOM 1186 CG LYS C 79 2.684 -5.475 -7.719 1.00 0.00 C ATOM 1187 CD LYS C 79 2.343 -4.942 -9.103 1.00 0.00 C ATOM 1188 CE LYS C 79 3.456 -4.076 -9.668 1.00 0.00 C ATOM 1189 NZ LYS C 79 3.103 -3.520 -11.000 1.00 0.00 N ATOM 0 H LYS C 79 4.560 -5.996 -5.806 1.00 0.00 H new ATOM 0 HA LYS C 79 3.184 -3.943 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS C 79 2.165 -3.583 -6.869 1.00 0.00 H new ATOM 0 HB3 LYS C 79 3.890 -3.883 -6.955 1.00 0.00 H new ATOM 0 HG2 LYS C 79 3.571 -6.106 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS C 79 1.869 -6.104 -7.360 1.00 0.00 H new ATOM 0 HD2 LYS C 79 2.156 -5.777 -9.777 1.00 0.00 H new ATOM 0 HD3 LYS C 79 1.422 -4.361 -9.051 1.00 0.00 H new ATOM 0 HE2 LYS C 79 3.666 -3.259 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS C 79 4.369 -4.666 -9.751 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 3.888 -2.935 -11.351 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 2.927 -4.299 -11.666 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 2.247 -2.936 -10.916 1.00 0.00 H new ATOM 1203 N THR C 80 1.206 -6.515 -5.142 1.00 0.00 N ATOM 1204 CA THR C 80 -0.131 -7.040 -4.901 1.00 0.00 C ATOM 1205 C THR C 80 -0.607 -6.751 -3.477 1.00 0.00 C ATOM 1206 O THR C 80 -1.618 -6.072 -3.272 1.00 0.00 O ATOM 1207 CB THR C 80 -0.173 -8.553 -5.168 1.00 0.00 C ATOM 1208 OG1 THR C 80 1.091 -9.137 -4.823 1.00 0.00 O ATOM 1209 CG2 THR C 80 -0.498 -8.842 -6.626 1.00 0.00 C ATOM 0 H THR C 80 1.863 -7.199 -5.518 1.00 0.00 H new ATOM 0 HA THR C 80 -0.806 -6.533 -5.591 1.00 0.00 H new ATOM 0 HB THR C 80 -0.959 -8.991 -4.553 1.00 0.00 H new ATOM 0 HG1 THR C 80 1.063 -10.102 -4.992 1.00 0.00 H new ATOM 0 HG21 THR C 80 -0.521 -9.920 -6.787 1.00 0.00 H new ATOM 0 HG22 THR C 80 -1.471 -8.417 -6.873 1.00 0.00 H new ATOM 0 HG23 THR C 80 0.265 -8.396 -7.264 1.00 0.00 H new ATOM 1217 N ALA C 81 0.140 -7.237 -2.498 1.00 0.00 N ATOM 1218 CA ALA C 81 -0.210 -7.023 -1.102 1.00 0.00 C ATOM 1219 C ALA C 81 0.108 -5.599 -0.679 1.00 0.00 C ATOM 1220 O ALA C 81 -0.599 -5.013 0.147 1.00 0.00 O ATOM 1221 CB ALA C 81 0.531 -8.003 -0.220 1.00 0.00 C ATOM 0 H ALA C 81 0.990 -7.781 -2.643 1.00 0.00 H new ATOM 0 HA ALA C 81 -1.282 -7.185 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA C 81 0.260 -7.832 0.822 1.00 0.00 H new ATOM 0 HB2 ALA C 81 0.263 -9.021 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA C 81 1.605 -7.863 -0.343 1.00 0.00 H new ATOM 1227 N PHE C 82 1.170 -5.046 -1.259 1.00 0.00 N ATOM 1228 CA PHE C 82 1.612 -3.698 -0.936 1.00 0.00 C ATOM 1229 C PHE C 82 0.500 -2.697 -1.225 1.00 0.00 C ATOM 1230 O PHE C 82 0.167 -1.862 -0.389 1.00 0.00 O ATOM 1231 CB PHE C 82 2.867 -3.339 -1.737 1.00 0.00 C ATOM 1232 CG PHE C 82 3.477 -2.020 -1.352 1.00 0.00 C ATOM 1233 CD1 PHE C 82 4.028 -1.839 -0.095 1.00 0.00 C ATOM 1234 CD2 PHE C 82 3.503 -0.965 -2.249 1.00 0.00 C ATOM 1235 CE1 PHE C 82 4.592 -0.629 0.262 1.00 0.00 C ATOM 1236 CE2 PHE C 82 4.066 0.247 -1.897 1.00 0.00 C ATOM 1237 CZ PHE C 82 4.611 0.414 -0.640 1.00 0.00 C ATOM 0 H PHE C 82 1.742 -5.517 -1.960 1.00 0.00 H new ATOM 0 HA PHE C 82 1.855 -3.658 0.126 1.00 0.00 H new ATOM 0 HB2 PHE C 82 3.610 -4.125 -1.602 1.00 0.00 H new ATOM 0 HB3 PHE C 82 2.616 -3.317 -2.797 1.00 0.00 H new ATOM 0 HD1 PHE C 82 4.017 -2.653 0.615 1.00 0.00 H new ATOM 0 HD2 PHE C 82 3.079 -1.091 -3.234 1.00 0.00 H new ATOM 0 HE1 PHE C 82 5.017 -0.500 1.246 1.00 0.00 H new ATOM 0 HE2 PHE C 82 4.080 1.063 -2.605 1.00 0.00 H new ATOM 0 HZ PHE C 82 5.052 1.360 -0.363 1.00 0.00 H new ATOM 1247 N GLU C 83 -0.092 -2.824 -2.400 1.00 0.00 N ATOM 1248 CA GLU C 83 -1.154 -1.924 -2.842 1.00 0.00 C ATOM 1249 C GLU C 83 -2.384 -2.015 -1.926 1.00 0.00 C ATOM 1250 O GLU C 83 -2.965 -1.007 -1.527 1.00 0.00 O ATOM 1251 CB GLU C 83 -1.533 -2.266 -4.296 1.00 0.00 C ATOM 1252 CG GLU C 83 -2.730 -1.499 -4.851 1.00 0.00 C ATOM 1253 CD GLU C 83 -2.358 -0.146 -5.428 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -1.667 -0.107 -6.470 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -2.780 0.889 -4.869 1.00 0.00 O ATOM 0 H GLU C 83 0.146 -3.550 -3.076 1.00 0.00 H new ATOM 0 HA GLU C 83 -0.789 -0.898 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -0.671 -2.074 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -1.745 -3.333 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -3.209 -2.098 -5.626 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -3.463 -1.359 -4.057 1.00 0.00 H new ATOM 1262 N ALA C 84 -2.729 -3.221 -1.523 1.00 0.00 N ATOM 1263 CA ALA C 84 -4.026 -3.462 -0.906 1.00 0.00 C ATOM 1264 C ALA C 84 -4.013 -3.123 0.573 1.00 0.00 C ATOM 1265 O ALA C 84 -5.064 -2.930 1.183 1.00 0.00 O ATOM 1266 CB ALA C 84 -4.442 -4.910 -1.115 1.00 0.00 C ATOM 0 H ALA C 84 -2.137 -4.047 -1.609 1.00 0.00 H new ATOM 0 HA ALA C 84 -4.753 -2.808 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -5.413 -5.080 -0.650 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -4.509 -5.119 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -3.702 -5.570 -0.662 1.00 0.00 H new ATOM 1272 N ASN C 85 -2.828 -3.043 1.148 1.00 0.00 N ATOM 1273 CA ASN C 85 -2.711 -2.799 2.577 1.00 0.00 C ATOM 1274 C ASN C 85 -1.920 -1.534 2.881 1.00 0.00 C ATOM 1275 O ASN C 85 -2.176 -0.869 3.885 1.00 0.00 O ATOM 1276 CB ASN C 85 -2.051 -3.992 3.274 1.00 0.00 C ATOM 1277 CG ASN C 85 -2.847 -5.274 3.134 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -3.695 -5.588 3.969 1.00 0.00 O ATOM 1279 ND2 ASN C 85 -2.572 -6.030 2.081 1.00 0.00 N ATOM 0 H ASN C 85 -1.940 -3.142 0.656 1.00 0.00 H new ATOM 0 HA ASN C 85 -3.723 -2.664 2.958 1.00 0.00 H new ATOM 0 HB2 ASN C 85 -1.054 -4.142 2.859 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -1.924 -3.763 4.332 1.00 0.00 H new ATOM 0 HD21 ASN C 85 -3.071 -6.908 1.940 1.00 0.00 H new ATOM 0 HD22 ASN C 85 -1.862 -5.733 1.412 1.00 0.00 H new ATOM 1286 N TYR C 86 -0.954 -1.197 2.030 1.00 0.00 N ATOM 1287 CA TYR C 86 -0.034 -0.104 2.361 1.00 0.00 C ATOM 1288 C TYR C 86 -0.106 1.064 1.381 1.00 0.00 C ATOM 1289 O TYR C 86 0.768 1.914 1.404 1.00 0.00 O ATOM 1290 CB TYR C 86 1.412 -0.598 2.382 1.00 0.00 C ATOM 1291 CG TYR C 86 1.607 -1.948 3.034 1.00 0.00 C ATOM 1292 CD1 TYR C 86 1.225 -3.102 2.376 1.00 0.00 C ATOM 1293 CD2 TYR C 86 2.177 -2.070 4.294 1.00 0.00 C ATOM 1294 CE1 TYR C 86 1.397 -4.341 2.941 1.00 0.00 C ATOM 1295 CE2 TYR C 86 2.355 -3.312 4.875 1.00 0.00 C ATOM 1296 CZ TYR C 86 1.964 -4.446 4.192 1.00 0.00 C ATOM 1297 OH TYR C 86 2.133 -5.686 4.764 1.00 0.00 O ATOM 0 H TYR C 86 -0.787 -1.648 1.130 1.00 0.00 H new ATOM 0 HA TYR C 86 -0.347 0.245 3.345 1.00 0.00 H new ATOM 0 HB2 TYR C 86 1.780 -0.648 1.357 1.00 0.00 H new ATOM 0 HB3 TYR C 86 2.025 0.136 2.906 1.00 0.00 H new ATOM 0 HD1 TYR C 86 0.781 -3.027 1.394 1.00 0.00 H new ATOM 0 HD2 TYR C 86 2.485 -1.183 4.827 1.00 0.00 H new ATOM 0 HE1 TYR C 86 1.090 -5.228 2.408 1.00 0.00 H new ATOM 0 HE2 TYR C 86 2.797 -3.394 5.857 1.00 0.00 H new ATOM 0 HH TYR C 86 2.547 -5.585 5.646 1.00 0.00 H new ATOM 1307 N THR C 87 -1.129 1.125 0.538 1.00 0.00 N ATOM 1308 CA THR C 87 -1.222 2.177 -0.462 1.00 0.00 C ATOM 1309 C THR C 87 -2.678 2.597 -0.628 1.00 0.00 C ATOM 1310 O THR C 87 -3.016 3.779 -0.524 1.00 0.00 O ATOM 1311 CB THR C 87 -0.647 1.760 -1.850 1.00 0.00 C ATOM 1312 OG1 THR C 87 -1.551 0.901 -2.532 1.00 0.00 O ATOM 1313 CG2 THR C 87 0.686 1.042 -1.726 1.00 0.00 C ATOM 0 H THR C 87 -1.903 0.460 0.528 1.00 0.00 H new ATOM 0 HA THR C 87 -0.616 3.007 -0.100 1.00 0.00 H new ATOM 0 HB THR C 87 -0.502 2.683 -2.411 1.00 0.00 H new ATOM 0 HG1 THR C 87 -2.149 0.474 -1.883 1.00 0.00 H new ATOM 0 HG21 THR C 87 1.047 0.771 -2.718 1.00 0.00 H new ATOM 0 HG22 THR C 87 1.410 1.699 -1.243 1.00 0.00 H new ATOM 0 HG23 THR C 87 0.559 0.140 -1.127 1.00 0.00 H new