USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 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 51 SER OG : rot 180:sc= 1.16 USER MOD Set 1.2: C 54 THR OG1 : rot 119:sc= 1.23 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= -0.0191 USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.2) USER MOD Single : C 30 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0675) USER MOD Single : C 31 TYR OH : rot 180:sc= 0 USER MOD Single : C 33 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.13) USER MOD Single : C 36 SER OG : rot -92:sc= 0.614 USER MOD Single : C 38 ASN : amide:sc= -1.97! X(o=-2!,f=-1.5) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN : amide:sc= -1.03 K(o=-1,f=-2.3) USER MOD Single : C 49 TYR OH : rot 180:sc=-0.00127 USER MOD Single : C 50 MET CE :methyl -170:sc= 0 (180deg=-0.152) USER MOD Single : C 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 59 LYS NZ :NH3+ -134:sc= -0.286 (180deg=-0.688) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 160:sc= -0.282 USER MOD Single : C 70 GLN : amide:sc= -2.95! C(o=-3!,f=-4.8!) USER MOD Single : C 71 TYR OH : rot 180:sc= 0 USER MOD Single : C 76 TYR OH : rot 22:sc= 0.991 USER MOD Single : C 77 MET CE :methyl 160:sc= -0.145 (180deg=-0.66) USER MOD Single : C 78 SER OG : rot 180:sc= 0.0144 USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 80 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : C 85 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : C 86 TYR OH : rot -68:sc= 0.524 USER MOD Single : C 87 THR OG1 : rot -23:sc= 0.279 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 2.608 6.263 -3.377 1.00 0.00 N ATOM 168 CA LEU C 12 2.763 5.939 -1.965 1.00 0.00 C ATOM 169 C LEU C 12 1.416 5.513 -1.409 1.00 0.00 C ATOM 170 O LEU C 12 0.380 5.806 -2.008 1.00 0.00 O ATOM 171 CB LEU C 12 3.317 7.137 -1.179 1.00 0.00 C ATOM 172 CG LEU C 12 4.847 7.285 -1.176 1.00 0.00 C ATOM 173 CD1 LEU C 12 5.387 7.579 -2.565 1.00 0.00 C ATOM 174 CD2 LEU C 12 5.273 8.378 -0.211 1.00 0.00 C ATOM 0 HA LEU C 12 3.479 5.123 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU C 12 2.883 8.049 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU C 12 2.976 7.059 -0.147 1.00 0.00 H new ATOM 0 HG LEU C 12 5.266 6.333 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU C 12 6.472 7.677 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU C 12 5.123 6.763 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU C 12 4.954 8.509 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU C 12 6.359 8.469 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU C 12 4.826 9.325 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU C 12 4.940 8.125 0.795 1.00 0.00 H new ATOM 186 N TYR C 13 1.413 4.833 -0.271 1.00 0.00 N ATOM 187 CA TYR C 13 0.180 4.250 0.235 1.00 0.00 C ATOM 188 C TYR C 13 -0.020 4.553 1.713 1.00 0.00 C ATOM 189 O TYR C 13 0.884 5.056 2.382 1.00 0.00 O ATOM 190 CB TYR C 13 0.165 2.742 -0.024 1.00 0.00 C ATOM 191 CG TYR C 13 0.196 2.402 -1.498 1.00 0.00 C ATOM 192 CD1 TYR C 13 -0.923 2.594 -2.298 1.00 0.00 C ATOM 193 CD2 TYR C 13 1.347 1.907 -2.094 1.00 0.00 C ATOM 194 CE1 TYR C 13 -0.895 2.302 -3.647 1.00 0.00 C ATOM 195 CE2 TYR C 13 1.383 1.610 -3.442 1.00 0.00 C ATOM 196 CZ TYR C 13 0.260 1.810 -4.214 1.00 0.00 C ATOM 197 OH TYR C 13 0.293 1.518 -5.558 1.00 0.00 O ATOM 0 H TYR C 13 2.236 4.673 0.310 1.00 0.00 H new ATOM 0 HA TYR C 13 -0.653 4.705 -0.301 1.00 0.00 H new ATOM 0 HB2 TYR C 13 1.023 2.284 0.468 1.00 0.00 H new ATOM 0 HB3 TYR C 13 -0.729 2.309 0.426 1.00 0.00 H new ATOM 0 HD1 TYR C 13 -1.831 2.978 -1.857 1.00 0.00 H new ATOM 0 HD2 TYR C 13 2.231 1.751 -1.493 1.00 0.00 H new ATOM 0 HE1 TYR C 13 -1.774 2.458 -4.255 1.00 0.00 H new ATOM 0 HE2 TYR C 13 2.287 1.223 -3.889 1.00 0.00 H new ATOM 0 HH TYR C 13 1.182 1.182 -5.798 1.00 0.00 H new ATOM 207 N LYS C 14 -1.210 4.238 2.213 1.00 0.00 N ATOM 208 CA LYS C 14 -1.608 4.614 3.562 1.00 0.00 C ATOM 209 C LYS C 14 -2.486 3.524 4.147 1.00 0.00 C ATOM 210 O LYS C 14 -3.491 3.152 3.549 1.00 0.00 O ATOM 211 CB LYS C 14 -2.369 5.944 3.541 1.00 0.00 C ATOM 212 CG LYS C 14 -1.518 7.134 3.125 1.00 0.00 C ATOM 213 CD LYS C 14 -2.326 8.423 3.079 1.00 0.00 C ATOM 214 CE LYS C 14 -3.380 8.391 1.982 1.00 0.00 C ATOM 215 NZ LYS C 14 -4.174 9.646 1.940 1.00 0.00 N ATOM 0 H LYS C 14 -1.921 3.718 1.698 1.00 0.00 H new ATOM 0 HA LYS C 14 -0.717 4.735 4.178 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -3.214 5.857 2.858 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -2.779 6.132 4.533 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -0.690 7.250 3.824 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -1.083 6.943 2.144 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -2.809 8.583 4.043 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -1.656 9.266 2.914 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -2.896 8.235 1.018 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -4.047 7.544 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -4.881 9.584 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -4.657 9.782 2.851 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -3.541 10.451 1.760 1.00 0.00 H new ATOM 229 N ASP C 15 -2.102 3.018 5.307 1.00 0.00 N ATOM 230 CA ASP C 15 -2.749 1.845 5.884 1.00 0.00 C ATOM 231 C ASP C 15 -4.125 2.188 6.481 1.00 0.00 C ATOM 232 O ASP C 15 -4.652 3.278 6.258 1.00 0.00 O ATOM 233 CB ASP C 15 -1.807 1.180 6.915 1.00 0.00 C ATOM 234 CG ASP C 15 -2.234 1.329 8.365 1.00 0.00 C ATOM 235 OD1 ASP C 15 -2.533 2.459 8.801 1.00 0.00 O ATOM 236 OD2 ASP C 15 -2.292 0.295 9.063 1.00 0.00 O ATOM 0 H ASP C 15 -1.343 3.400 5.871 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.940 1.124 5.089 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -1.730 0.118 6.682 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -0.810 1.605 6.800 1.00 0.00 H new ATOM 241 N ALA C 16 -4.686 1.263 7.246 1.00 0.00 N ATOM 242 CA ALA C 16 -6.065 1.363 7.714 1.00 0.00 C ATOM 243 C ALA C 16 -6.269 2.535 8.676 1.00 0.00 C ATOM 244 O ALA C 16 -7.209 3.315 8.513 1.00 0.00 O ATOM 245 CB ALA C 16 -6.484 0.050 8.391 1.00 0.00 C ATOM 0 H ALA C 16 -4.201 0.423 7.561 1.00 0.00 H new ATOM 0 HA ALA C 16 -6.692 1.546 6.842 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -7.514 0.132 8.738 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -6.406 -0.769 7.676 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -5.830 -0.146 9.240 1.00 0.00 H new ATOM 251 N ASP C 17 -5.390 2.681 9.664 1.00 0.00 N ATOM 252 CA ASP C 17 -5.602 3.685 10.699 1.00 0.00 C ATOM 253 C ASP C 17 -4.931 4.988 10.316 1.00 0.00 C ATOM 254 O ASP C 17 -5.204 6.036 10.903 1.00 0.00 O ATOM 255 CB ASP C 17 -5.100 3.212 12.072 1.00 0.00 C ATOM 256 CG ASP C 17 -3.592 3.270 12.227 1.00 0.00 C ATOM 257 OD1 ASP C 17 -3.074 4.320 12.666 1.00 0.00 O ATOM 258 OD2 ASP C 17 -2.923 2.258 11.953 1.00 0.00 O ATOM 0 H ASP C 17 -4.540 2.127 9.769 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.677 3.845 10.781 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.559 3.825 12.847 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -5.434 2.187 12.237 1.00 0.00 H new ATOM 263 N GLY C 18 -4.071 4.931 9.315 1.00 0.00 N ATOM 264 CA GLY C 18 -3.431 6.133 8.846 1.00 0.00 C ATOM 265 C GLY C 18 -1.923 6.032 8.829 1.00 0.00 C ATOM 266 O GLY C 18 -1.228 7.049 8.771 1.00 0.00 O ATOM 0 H GLY C 18 -3.807 4.078 8.822 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -3.786 6.358 7.840 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -3.726 6.967 9.482 1.00 0.00 H new ATOM 270 N VAL C 19 -1.416 4.810 8.882 1.00 0.00 N ATOM 271 CA VAL C 19 0.018 4.566 8.789 1.00 0.00 C ATOM 272 C VAL C 19 0.516 4.924 7.393 1.00 0.00 C ATOM 273 O VAL C 19 0.175 4.269 6.405 1.00 0.00 O ATOM 274 CB VAL C 19 0.357 3.092 9.121 1.00 0.00 C ATOM 275 CG1 VAL C 19 1.786 2.748 8.723 1.00 0.00 C ATOM 276 CG2 VAL C 19 0.152 2.829 10.605 1.00 0.00 C ATOM 0 H VAL C 19 -1.979 3.966 8.990 1.00 0.00 H new ATOM 0 HA VAL C 19 0.521 5.197 9.521 1.00 0.00 H new ATOM 0 HB VAL C 19 -0.316 2.456 8.546 1.00 0.00 H new ATOM 0 HG11 VAL C 19 1.992 1.706 8.970 1.00 0.00 H new ATOM 0 HG12 VAL C 19 1.911 2.899 7.651 1.00 0.00 H new ATOM 0 HG13 VAL C 19 2.479 3.392 9.263 1.00 0.00 H new ATOM 0 HG21 VAL C 19 0.393 1.789 10.827 1.00 0.00 H new ATOM 0 HG22 VAL C 19 0.803 3.484 11.184 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -0.887 3.025 10.869 1.00 0.00 H new ATOM 286 N TYR C 20 1.296 5.988 7.323 1.00 0.00 N ATOM 287 CA TYR C 20 1.829 6.473 6.071 1.00 0.00 C ATOM 288 C TYR C 20 3.169 5.827 5.811 1.00 0.00 C ATOM 289 O TYR C 20 3.986 5.658 6.716 1.00 0.00 O ATOM 290 CB TYR C 20 1.969 7.989 6.120 1.00 0.00 C ATOM 291 CG TYR C 20 2.446 8.651 4.843 1.00 0.00 C ATOM 292 CD1 TYR C 20 3.802 8.837 4.596 1.00 0.00 C ATOM 293 CD2 TYR C 20 1.537 9.123 3.904 1.00 0.00 C ATOM 294 CE1 TYR C 20 4.236 9.472 3.449 1.00 0.00 C ATOM 295 CE2 TYR C 20 1.966 9.753 2.752 1.00 0.00 C ATOM 296 CZ TYR C 20 3.316 9.927 2.531 1.00 0.00 C ATOM 297 OH TYR C 20 3.746 10.572 1.395 1.00 0.00 O ATOM 0 H TYR C 20 1.576 6.538 8.135 1.00 0.00 H new ATOM 0 HA TYR C 20 1.148 6.214 5.260 1.00 0.00 H new ATOM 0 HB2 TYR C 20 1.002 8.415 6.388 1.00 0.00 H new ATOM 0 HB3 TYR C 20 2.663 8.245 6.920 1.00 0.00 H new ATOM 0 HD1 TYR C 20 4.527 8.479 5.312 1.00 0.00 H new ATOM 0 HD2 TYR C 20 0.479 8.995 4.078 1.00 0.00 H new ATOM 0 HE1 TYR C 20 5.292 9.611 3.273 1.00 0.00 H new ATOM 0 HE2 TYR C 20 1.248 10.108 2.028 1.00 0.00 H new ATOM 0 HH TYR C 20 2.972 10.828 0.851 1.00 0.00 H new ATOM 307 N VAL C 21 3.377 5.488 4.571 1.00 0.00 N ATOM 308 CA VAL C 21 4.572 4.767 4.154 1.00 0.00 C ATOM 309 C VAL C 21 5.083 5.311 2.826 1.00 0.00 C ATOM 310 O VAL C 21 4.307 5.594 1.906 1.00 0.00 O ATOM 311 CB VAL C 21 4.322 3.226 4.021 1.00 0.00 C ATOM 312 CG1 VAL C 21 3.758 2.599 5.302 1.00 0.00 C ATOM 313 CG2 VAL C 21 3.395 2.925 2.851 1.00 0.00 C ATOM 0 H VAL C 21 2.730 5.698 3.811 1.00 0.00 H new ATOM 0 HA VAL C 21 5.320 4.920 4.932 1.00 0.00 H new ATOM 0 HB VAL C 21 5.298 2.776 3.840 1.00 0.00 H new ATOM 0 HG11 VAL C 21 3.606 1.531 5.148 1.00 0.00 H new ATOM 0 HG12 VAL C 21 4.461 2.751 6.121 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.806 3.069 5.548 1.00 0.00 H new ATOM 0 HG21 VAL C 21 3.237 1.849 2.780 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.438 3.423 3.008 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.846 3.288 1.927 1.00 0.00 H new ATOM 323 N SER C 22 6.391 5.490 2.751 1.00 0.00 N ATOM 324 CA SER C 22 7.035 5.912 1.525 1.00 0.00 C ATOM 325 C SER C 22 7.474 4.685 0.741 1.00 0.00 C ATOM 326 O SER C 22 7.963 3.719 1.326 1.00 0.00 O ATOM 327 CB SER C 22 8.233 6.805 1.842 1.00 0.00 C ATOM 328 OG SER C 22 7.842 7.902 2.655 1.00 0.00 O ATOM 0 H SER C 22 7.030 5.347 3.533 1.00 0.00 H new ATOM 0 HA SER C 22 6.332 6.487 0.922 1.00 0.00 H new ATOM 0 HB2 SER C 22 9.001 6.224 2.352 1.00 0.00 H new ATOM 0 HB3 SER C 22 8.674 7.172 0.915 1.00 0.00 H new ATOM 0 HG SER C 22 8.624 8.461 2.848 1.00 0.00 H new ATOM 334 N ALA C 23 7.305 4.723 -0.571 1.00 0.00 N ATOM 335 CA ALA C 23 7.574 3.566 -1.399 1.00 0.00 C ATOM 336 C ALA C 23 8.862 3.748 -2.182 1.00 0.00 C ATOM 337 O ALA C 23 8.993 4.660 -3.001 1.00 0.00 O ATOM 338 CB ALA C 23 6.407 3.306 -2.335 1.00 0.00 C ATOM 0 H ALA C 23 6.983 5.544 -1.082 1.00 0.00 H new ATOM 0 HA ALA C 23 7.697 2.699 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA C 23 6.623 2.433 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA C 23 5.505 3.123 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA C 23 6.254 4.174 -2.976 1.00 0.00 H new ATOM 344 N LEU C 24 9.809 2.880 -1.899 1.00 0.00 N ATOM 345 CA LEU C 24 11.097 2.876 -2.567 1.00 0.00 C ATOM 346 C LEU C 24 11.152 1.682 -3.517 1.00 0.00 C ATOM 347 O LEU C 24 11.253 0.538 -3.069 1.00 0.00 O ATOM 348 CB LEU C 24 12.243 2.795 -1.538 1.00 0.00 C ATOM 349 CG LEU C 24 12.256 3.874 -0.435 1.00 0.00 C ATOM 350 CD1 LEU C 24 11.963 5.247 -1.013 1.00 0.00 C ATOM 351 CD2 LEU C 24 11.279 3.546 0.687 1.00 0.00 C ATOM 0 H LEU C 24 9.708 2.150 -1.193 1.00 0.00 H new ATOM 0 HA LEU C 24 11.218 3.802 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU C 24 12.202 1.817 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU C 24 13.189 2.846 -2.077 1.00 0.00 H new ATOM 0 HG LEU C 24 13.259 3.886 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU C 24 11.978 5.989 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU C 24 12.720 5.498 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU C 24 10.980 5.241 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU C 24 11.318 4.329 1.444 1.00 0.00 H new ATOM 0 HD22 LEU C 24 10.269 3.482 0.283 1.00 0.00 H new ATOM 0 HD23 LEU C 24 11.550 2.592 1.138 1.00 0.00 H new ATOM 363 N PRO C 25 11.063 1.914 -4.836 1.00 0.00 N ATOM 364 CA PRO C 25 10.944 0.830 -5.815 1.00 0.00 C ATOM 365 C PRO C 25 12.222 0.007 -5.938 1.00 0.00 C ATOM 366 O PRO C 25 13.308 0.555 -6.136 1.00 0.00 O ATOM 367 CB PRO C 25 10.638 1.556 -7.135 1.00 0.00 C ATOM 368 CG PRO C 25 10.310 2.961 -6.749 1.00 0.00 C ATOM 369 CD PRO C 25 11.081 3.229 -5.492 1.00 0.00 C ATOM 0 HA PRO C 25 10.176 0.113 -5.526 1.00 0.00 H new ATOM 0 HB2 PRO C 25 11.494 1.524 -7.809 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.804 1.087 -7.657 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.592 3.659 -7.537 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.239 3.082 -6.584 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.096 3.567 -5.700 1.00 0.00 H new ATOM 0 HD3 PRO C 25 10.609 3.997 -4.880 1.00 0.00 H new ATOM 377 N ILE C 26 12.089 -1.307 -5.818 1.00 0.00 N ATOM 378 CA ILE C 26 13.231 -2.198 -5.937 1.00 0.00 C ATOM 379 C ILE C 26 13.462 -2.553 -7.400 1.00 0.00 C ATOM 380 O ILE C 26 12.690 -3.306 -8.004 1.00 0.00 O ATOM 381 CB ILE C 26 13.047 -3.499 -5.121 1.00 0.00 C ATOM 382 CG1 ILE C 26 12.697 -3.171 -3.661 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.314 -4.343 -5.193 1.00 0.00 C ATOM 384 CD1 ILE C 26 12.466 -4.389 -2.787 1.00 0.00 C ATOM 0 H ILE C 26 11.202 -1.777 -5.639 1.00 0.00 H new ATOM 0 HA ILE C 26 14.095 -1.669 -5.534 1.00 0.00 H new ATOM 0 HB ILE C 26 12.223 -4.070 -5.549 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.503 -2.577 -3.231 1.00 0.00 H new ATOM 0 HG13 ILE C 26 11.801 -2.551 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.176 -5.257 -4.616 1.00 0.00 H new ATOM 0 HG22 ILE C 26 14.523 -4.598 -6.232 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.151 -3.778 -4.783 1.00 0.00 H new ATOM 0 HD11 ILE C 26 12.224 -4.069 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE C 26 11.639 -4.974 -3.190 1.00 0.00 H new ATOM 0 HD13 ILE C 26 13.368 -5.000 -2.769 1.00 0.00 H new ATOM 396 N LYS C 27 14.523 -1.995 -7.959 1.00 0.00 N ATOM 397 CA LYS C 27 14.861 -2.202 -9.356 1.00 0.00 C ATOM 398 C LYS C 27 15.484 -3.580 -9.568 1.00 0.00 C ATOM 399 O LYS C 27 14.958 -4.407 -10.316 1.00 0.00 O ATOM 400 CB LYS C 27 15.821 -1.102 -9.822 1.00 0.00 C ATOM 401 CG LYS C 27 16.398 -1.334 -11.209 1.00 0.00 C ATOM 402 CD LYS C 27 17.529 -0.366 -11.505 1.00 0.00 C ATOM 403 CE LYS C 27 18.172 -0.658 -12.847 1.00 0.00 C ATOM 404 NZ LYS C 27 19.409 0.138 -13.050 1.00 0.00 N ATOM 0 H LYS C 27 15.172 -1.388 -7.458 1.00 0.00 H new ATOM 0 HA LYS C 27 13.947 -2.154 -9.948 1.00 0.00 H new ATOM 0 HB2 LYS C 27 15.295 -0.147 -9.813 1.00 0.00 H new ATOM 0 HB3 LYS C 27 16.640 -1.022 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS C 27 16.763 -2.358 -11.287 1.00 0.00 H new ATOM 0 HG3 LYS C 27 15.613 -1.218 -11.956 1.00 0.00 H new ATOM 0 HD2 LYS C 27 17.147 0.655 -11.498 1.00 0.00 H new ATOM 0 HD3 LYS C 27 18.281 -0.431 -10.718 1.00 0.00 H new ATOM 0 HE2 LYS C 27 18.408 -1.720 -12.914 1.00 0.00 H new ATOM 0 HE3 LYS C 27 17.463 -0.438 -13.645 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 19.735 0.028 -14.031 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 19.211 1.141 -12.861 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 20.148 -0.197 -12.400 1.00 0.00 H new ATOM 418 N ALA C 28 16.601 -3.823 -8.899 1.00 0.00 N ATOM 419 CA ALA C 28 17.329 -5.075 -9.042 1.00 0.00 C ATOM 420 C ALA C 28 18.353 -5.220 -7.929 1.00 0.00 C ATOM 421 O ALA C 28 18.644 -4.257 -7.224 1.00 0.00 O ATOM 422 CB ALA C 28 18.013 -5.139 -10.401 1.00 0.00 C ATOM 0 H ALA C 28 17.026 -3.164 -8.247 1.00 0.00 H new ATOM 0 HA ALA C 28 16.619 -5.899 -8.972 1.00 0.00 H new ATOM 0 HB1 ALA C 28 18.553 -6.081 -10.492 1.00 0.00 H new ATOM 0 HB2 ALA C 28 17.263 -5.073 -11.189 1.00 0.00 H new ATOM 0 HB3 ALA C 28 18.713 -4.309 -10.495 1.00 0.00 H new ATOM 428 N ILE C 29 18.885 -6.423 -7.767 1.00 0.00 N ATOM 429 CA ILE C 29 19.908 -6.682 -6.762 1.00 0.00 C ATOM 430 C ILE C 29 20.900 -7.705 -7.281 1.00 0.00 C ATOM 431 O ILE C 29 20.530 -8.666 -7.952 1.00 0.00 O ATOM 432 CB ILE C 29 19.304 -7.186 -5.416 1.00 0.00 C ATOM 433 CG1 ILE C 29 18.447 -6.108 -4.753 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.401 -7.622 -4.452 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.511 -6.643 -3.694 1.00 0.00 C ATOM 0 H ILE C 29 18.624 -7.239 -8.321 1.00 0.00 H new ATOM 0 HA ILE C 29 20.411 -5.735 -6.567 1.00 0.00 H new ATOM 0 HB ILE C 29 18.673 -8.043 -5.650 1.00 0.00 H new ATOM 0 HG12 ILE C 29 19.102 -5.361 -4.303 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.862 -5.599 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE C 29 19.951 -7.969 -3.522 1.00 0.00 H new ATOM 0 HG22 ILE C 29 20.978 -8.431 -4.900 1.00 0.00 H new ATOM 0 HG23 ILE C 29 21.059 -6.778 -4.244 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.936 -5.821 -3.268 1.00 0.00 H new ATOM 0 HD12 ILE C 29 16.831 -7.368 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE C 29 18.090 -7.126 -2.907 1.00 0.00 H new ATOM 447 N LYS C 30 22.158 -7.483 -6.963 1.00 0.00 N ATOM 448 CA LYS C 30 23.225 -8.377 -7.373 1.00 0.00 C ATOM 449 C LYS C 30 23.541 -9.352 -6.255 1.00 0.00 C ATOM 450 O LYS C 30 24.242 -9.019 -5.301 1.00 0.00 O ATOM 451 CB LYS C 30 24.480 -7.592 -7.761 1.00 0.00 C ATOM 452 CG LYS C 30 25.700 -8.470 -8.011 1.00 0.00 C ATOM 453 CD LYS C 30 25.486 -9.430 -9.170 1.00 0.00 C ATOM 454 CE LYS C 30 26.564 -10.501 -9.205 1.00 0.00 C ATOM 455 NZ LYS C 30 27.930 -9.921 -9.294 1.00 0.00 N ATOM 0 H LYS C 30 22.471 -6.682 -6.415 1.00 0.00 H new ATOM 0 HA LYS C 30 22.890 -8.933 -8.249 1.00 0.00 H new ATOM 0 HB2 LYS C 30 24.271 -7.012 -8.660 1.00 0.00 H new ATOM 0 HB3 LYS C 30 24.712 -6.880 -6.969 1.00 0.00 H new ATOM 0 HG2 LYS C 30 26.564 -7.839 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS C 30 25.929 -9.037 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS C 30 24.506 -9.900 -9.080 1.00 0.00 H new ATOM 0 HD3 LYS C 30 25.489 -8.877 -10.109 1.00 0.00 H new ATOM 0 HE2 LYS C 30 26.491 -11.117 -8.309 1.00 0.00 H new ATOM 0 HE3 LYS C 30 26.394 -11.158 -10.058 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 28.619 -10.680 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 27.966 -9.235 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 28.162 -9.441 -8.401 1.00 0.00 H new ATOM 469 N TYR C 31 23.013 -10.548 -6.386 1.00 0.00 N ATOM 470 CA TYR C 31 23.205 -11.591 -5.399 1.00 0.00 C ATOM 471 C TYR C 31 24.427 -12.419 -5.749 1.00 0.00 C ATOM 472 O TYR C 31 24.510 -13.003 -6.832 1.00 0.00 O ATOM 473 CB TYR C 31 21.974 -12.497 -5.312 1.00 0.00 C ATOM 474 CG TYR C 31 20.753 -11.839 -4.708 1.00 0.00 C ATOM 475 CD1 TYR C 31 19.703 -11.403 -5.506 1.00 0.00 C ATOM 476 CD2 TYR C 31 20.647 -11.668 -3.334 1.00 0.00 C ATOM 477 CE1 TYR C 31 18.582 -10.816 -4.949 1.00 0.00 C ATOM 478 CE2 TYR C 31 19.532 -11.081 -2.770 1.00 0.00 C ATOM 479 CZ TYR C 31 18.501 -10.658 -3.581 1.00 0.00 C ATOM 480 OH TYR C 31 17.386 -10.078 -3.021 1.00 0.00 O ATOM 0 H TYR C 31 22.437 -10.827 -7.180 1.00 0.00 H new ATOM 0 HA TYR C 31 23.354 -11.117 -4.429 1.00 0.00 H new ATOM 0 HB2 TYR C 31 21.725 -12.847 -6.314 1.00 0.00 H new ATOM 0 HB3 TYR C 31 22.227 -13.377 -4.721 1.00 0.00 H new ATOM 0 HD1 TYR C 31 19.763 -11.524 -6.577 1.00 0.00 H new ATOM 0 HD2 TYR C 31 21.452 -12.000 -2.695 1.00 0.00 H new ATOM 0 HE1 TYR C 31 17.773 -10.483 -5.582 1.00 0.00 H new ATOM 0 HE2 TYR C 31 19.468 -10.954 -1.699 1.00 0.00 H new ATOM 0 HH TYR C 31 17.489 -10.043 -2.047 1.00 0.00 H new ATOM 490 N ALA C 32 25.377 -12.449 -4.840 1.00 0.00 N ATOM 491 CA ALA C 32 26.565 -13.238 -5.006 1.00 0.00 C ATOM 492 C ALA C 32 26.332 -14.628 -4.452 1.00 0.00 C ATOM 493 O ALA C 32 25.454 -14.849 -3.615 1.00 0.00 O ATOM 494 CB ALA C 32 27.744 -12.572 -4.316 1.00 0.00 C ATOM 0 H ALA C 32 25.342 -11.924 -3.966 1.00 0.00 H new ATOM 0 HA ALA C 32 26.798 -13.317 -6.068 1.00 0.00 H new ATOM 0 HB1 ALA C 32 28.637 -13.182 -4.451 1.00 0.00 H new ATOM 0 HB2 ALA C 32 27.910 -11.586 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA C 32 27.532 -12.469 -3.252 1.00 0.00 H new ATOM 500 N ASN C 33 27.133 -15.549 -4.928 1.00 0.00 N ATOM 501 CA ASN C 33 26.979 -16.969 -4.620 1.00 0.00 C ATOM 502 C ASN C 33 27.357 -17.277 -3.176 1.00 0.00 C ATOM 503 O ASN C 33 27.122 -18.384 -2.687 1.00 0.00 O ATOM 504 CB ASN C 33 27.830 -17.824 -5.570 1.00 0.00 C ATOM 505 CG ASN C 33 29.323 -17.652 -5.347 1.00 0.00 C ATOM 506 OD1 ASN C 33 29.924 -18.342 -4.522 1.00 0.00 O ATOM 507 ND2 ASN C 33 29.935 -16.746 -6.092 1.00 0.00 N ATOM 0 H ASN C 33 27.919 -15.344 -5.545 1.00 0.00 H new ATOM 0 HA ASN C 33 25.926 -17.216 -4.757 1.00 0.00 H new ATOM 0 HB2 ASN C 33 27.567 -18.874 -5.439 1.00 0.00 H new ATOM 0 HB3 ASN C 33 27.589 -17.561 -6.600 1.00 0.00 H new ATOM 0 HD21 ASN C 33 30.940 -16.599 -5.994 1.00 0.00 H new ATOM 0 HD22 ASN C 33 29.402 -16.194 -6.764 1.00 0.00 H new ATOM 514 N ASP C 34 27.960 -16.307 -2.502 1.00 0.00 N ATOM 515 CA ASP C 34 28.329 -16.470 -1.102 1.00 0.00 C ATOM 516 C ASP C 34 27.200 -16.015 -0.182 1.00 0.00 C ATOM 517 O ASP C 34 27.086 -16.485 0.951 1.00 0.00 O ATOM 518 CB ASP C 34 29.608 -15.695 -0.774 1.00 0.00 C ATOM 519 CG ASP C 34 29.428 -14.194 -0.863 1.00 0.00 C ATOM 520 OD1 ASP C 34 28.904 -13.590 0.095 1.00 0.00 O ATOM 521 OD2 ASP C 34 29.823 -13.603 -1.885 1.00 0.00 O ATOM 0 H ASP C 34 28.204 -15.400 -2.901 1.00 0.00 H new ATOM 0 HA ASP C 34 28.512 -17.532 -0.936 1.00 0.00 H new ATOM 0 HB2 ASP C 34 29.938 -15.957 0.231 1.00 0.00 H new ATOM 0 HB3 ASP C 34 30.398 -16.002 -1.459 1.00 0.00 H new ATOM 526 N GLY C 35 26.367 -15.103 -0.668 1.00 0.00 N ATOM 527 CA GLY C 35 25.283 -14.588 0.147 1.00 0.00 C ATOM 528 C GLY C 35 25.210 -13.072 0.134 1.00 0.00 C ATOM 529 O GLY C 35 24.121 -12.500 0.187 1.00 0.00 O ATOM 0 H GLY C 35 26.422 -14.712 -1.608 1.00 0.00 H new ATOM 0 HA2 GLY C 35 24.338 -14.996 -0.212 1.00 0.00 H new ATOM 0 HA3 GLY C 35 25.410 -14.933 1.173 1.00 0.00 H new ATOM 533 N SER C 36 26.367 -12.420 0.079 1.00 0.00 N ATOM 534 CA SER C 36 26.420 -10.961 0.009 1.00 0.00 C ATOM 535 C SER C 36 25.781 -10.472 -1.281 1.00 0.00 C ATOM 536 O SER C 36 25.752 -11.185 -2.288 1.00 0.00 O ATOM 537 CB SER C 36 27.868 -10.477 0.104 1.00 0.00 C ATOM 538 OG SER C 36 28.689 -11.114 -0.860 1.00 0.00 O ATOM 0 H SER C 36 27.279 -12.876 0.081 1.00 0.00 H new ATOM 0 HA SER C 36 25.862 -10.551 0.850 1.00 0.00 H new ATOM 0 HB2 SER C 36 27.903 -9.397 -0.042 1.00 0.00 H new ATOM 0 HB3 SER C 36 28.255 -10.676 1.103 1.00 0.00 H new ATOM 0 HG SER C 36 29.095 -11.915 -0.467 1.00 0.00 H new ATOM 544 N ALA C 37 25.259 -9.265 -1.244 1.00 0.00 N ATOM 545 CA ALA C 37 24.572 -8.704 -2.386 1.00 0.00 C ATOM 546 C ALA C 37 24.722 -7.199 -2.384 1.00 0.00 C ATOM 547 O ALA C 37 25.276 -6.638 -1.444 1.00 0.00 O ATOM 548 CB ALA C 37 23.100 -9.090 -2.352 1.00 0.00 C ATOM 0 H ALA C 37 25.298 -8.651 -0.431 1.00 0.00 H new ATOM 0 HA ALA C 37 25.013 -9.101 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA C 37 22.592 -8.663 -3.216 1.00 0.00 H new ATOM 0 HB2 ALA C 37 23.008 -10.176 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA C 37 22.645 -8.708 -1.438 1.00 0.00 H new ATOM 554 N ASN C 38 24.254 -6.551 -3.437 1.00 0.00 N ATOM 555 CA ASN C 38 24.167 -5.103 -3.455 1.00 0.00 C ATOM 556 C ASN C 38 22.941 -4.684 -4.252 1.00 0.00 C ATOM 557 O ASN C 38 22.620 -5.296 -5.271 1.00 0.00 O ATOM 558 CB ASN C 38 25.452 -4.462 -3.989 1.00 0.00 C ATOM 559 CG ASN C 38 25.424 -4.174 -5.479 1.00 0.00 C ATOM 560 OD1 ASN C 38 24.986 -3.109 -5.909 1.00 0.00 O ATOM 561 ND2 ASN C 38 25.906 -5.116 -6.271 1.00 0.00 N ATOM 0 H ASN C 38 23.929 -7.006 -4.290 1.00 0.00 H new ATOM 0 HA ASN C 38 24.057 -4.741 -2.433 1.00 0.00 H new ATOM 0 HB2 ASN C 38 25.631 -3.530 -3.452 1.00 0.00 H new ATOM 0 HB3 ASN C 38 26.292 -5.122 -3.772 1.00 0.00 H new ATOM 0 HD21 ASN C 38 25.924 -4.973 -7.281 1.00 0.00 H new ATOM 0 HD22 ASN C 38 26.260 -5.986 -5.872 1.00 0.00 H new ATOM 568 N ALA C 39 22.239 -3.664 -3.777 1.00 0.00 N ATOM 569 CA ALA C 39 20.914 -3.357 -4.293 1.00 0.00 C ATOM 570 C ALA C 39 20.888 -2.165 -5.237 1.00 0.00 C ATOM 571 O ALA C 39 21.780 -1.323 -5.229 1.00 0.00 O ATOM 572 CB ALA C 39 19.949 -3.126 -3.141 1.00 0.00 C ATOM 0 H ALA C 39 22.563 -3.039 -3.039 1.00 0.00 H new ATOM 0 HA ALA C 39 20.605 -4.222 -4.880 1.00 0.00 H new ATOM 0 HB1 ALA C 39 18.959 -2.897 -3.536 1.00 0.00 H new ATOM 0 HB2 ALA C 39 19.895 -4.024 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA C 39 20.300 -2.291 -2.534 1.00 0.00 H new ATOM 578 N GLU C 40 19.853 -2.138 -6.065 1.00 0.00 N ATOM 579 CA GLU C 40 19.547 -1.001 -6.914 1.00 0.00 C ATOM 580 C GLU C 40 18.099 -0.567 -6.684 1.00 0.00 C ATOM 581 O GLU C 40 17.168 -1.267 -7.089 1.00 0.00 O ATOM 582 CB GLU C 40 19.738 -1.348 -8.392 1.00 0.00 C ATOM 583 CG GLU C 40 21.185 -1.527 -8.800 1.00 0.00 C ATOM 584 CD GLU C 40 21.351 -1.660 -10.297 1.00 0.00 C ATOM 585 OE1 GLU C 40 21.762 -2.744 -10.761 1.00 0.00 O ATOM 586 OE2 GLU C 40 21.073 -0.677 -11.021 1.00 0.00 O ATOM 0 H GLU C 40 19.198 -2.913 -6.165 1.00 0.00 H new ATOM 0 HA GLU C 40 20.229 -0.191 -6.657 1.00 0.00 H new ATOM 0 HB2 GLU C 40 19.193 -2.266 -8.613 1.00 0.00 H new ATOM 0 HB3 GLU C 40 19.294 -0.560 -9.000 1.00 0.00 H new ATOM 0 HG2 GLU C 40 21.767 -0.675 -8.447 1.00 0.00 H new ATOM 0 HG3 GLU C 40 21.590 -2.414 -8.312 1.00 0.00 H new ATOM 593 N PHE C 41 17.905 0.559 -6.015 1.00 0.00 N ATOM 594 CA PHE C 41 16.573 1.102 -5.803 1.00 0.00 C ATOM 595 C PHE C 41 16.312 2.221 -6.792 1.00 0.00 C ATOM 596 O PHE C 41 17.245 2.892 -7.239 1.00 0.00 O ATOM 597 CB PHE C 41 16.423 1.639 -4.378 1.00 0.00 C ATOM 598 CG PHE C 41 16.376 0.570 -3.322 1.00 0.00 C ATOM 599 CD1 PHE C 41 17.531 0.162 -2.676 1.00 0.00 C ATOM 600 CD2 PHE C 41 15.174 -0.022 -2.971 1.00 0.00 C ATOM 601 CE1 PHE C 41 17.491 -0.817 -1.703 1.00 0.00 C ATOM 602 CE2 PHE C 41 15.128 -1.002 -1.998 1.00 0.00 C ATOM 603 CZ PHE C 41 16.288 -1.398 -1.363 1.00 0.00 C ATOM 0 H PHE C 41 18.656 1.116 -5.608 1.00 0.00 H new ATOM 0 HA PHE C 41 15.849 0.300 -5.952 1.00 0.00 H new ATOM 0 HB2 PHE C 41 17.255 2.310 -4.164 1.00 0.00 H new ATOM 0 HB3 PHE C 41 15.511 2.233 -4.319 1.00 0.00 H new ATOM 0 HD1 PHE C 41 18.476 0.616 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE C 41 14.263 0.286 -3.463 1.00 0.00 H new ATOM 0 HE1 PHE C 41 18.400 -1.127 -1.209 1.00 0.00 H new ATOM 0 HE2 PHE C 41 14.185 -1.458 -1.734 1.00 0.00 H new ATOM 0 HZ PHE C 41 16.253 -2.162 -0.601 1.00 0.00 H new ATOM 613 N ASP C 42 15.055 2.417 -7.142 1.00 0.00 N ATOM 614 CA ASP C 42 14.691 3.499 -8.036 1.00 0.00 C ATOM 615 C ASP C 42 14.670 4.810 -7.273 1.00 0.00 C ATOM 616 O ASP C 42 14.058 4.922 -6.209 1.00 0.00 O ATOM 617 CB ASP C 42 13.334 3.254 -8.684 1.00 0.00 C ATOM 618 CG ASP C 42 12.953 4.354 -9.654 1.00 0.00 C ATOM 619 OD1 ASP C 42 13.415 4.323 -10.812 1.00 0.00 O ATOM 620 OD2 ASP C 42 12.185 5.258 -9.264 1.00 0.00 O ATOM 0 H ASP C 42 14.273 1.845 -6.823 1.00 0.00 H new ATOM 0 HA ASP C 42 15.437 3.548 -8.829 1.00 0.00 H new ATOM 0 HB2 ASP C 42 13.352 2.299 -9.210 1.00 0.00 H new ATOM 0 HB3 ASP C 42 12.572 3.177 -7.908 1.00 0.00 H new ATOM 625 N GLY C 43 15.340 5.787 -7.831 1.00 0.00 N ATOM 626 CA GLY C 43 15.482 7.074 -7.190 1.00 0.00 C ATOM 627 C GLY C 43 16.851 7.240 -6.560 1.00 0.00 C ATOM 628 O GLY C 43 17.683 6.333 -6.639 1.00 0.00 O ATOM 0 H GLY C 43 15.801 5.715 -8.738 1.00 0.00 H new ATOM 0 HA2 GLY C 43 15.320 7.865 -7.922 1.00 0.00 H new ATOM 0 HA3 GLY C 43 14.714 7.186 -6.425 1.00 0.00 H new ATOM 632 N PRO C 44 17.118 8.389 -5.923 1.00 0.00 N ATOM 633 CA PRO C 44 18.393 8.644 -5.249 1.00 0.00 C ATOM 634 C PRO C 44 18.470 7.943 -3.894 1.00 0.00 C ATOM 635 O PRO C 44 18.592 8.583 -2.845 1.00 0.00 O ATOM 636 CB PRO C 44 18.393 10.162 -5.078 1.00 0.00 C ATOM 637 CG PRO C 44 16.952 10.529 -4.967 1.00 0.00 C ATOM 638 CD PRO C 44 16.198 9.539 -5.819 1.00 0.00 C ATOM 0 HA PRO C 44 19.248 8.268 -5.811 1.00 0.00 H new ATOM 0 HB2 PRO C 44 18.948 10.461 -4.188 1.00 0.00 H new ATOM 0 HB3 PRO C 44 18.864 10.656 -5.928 1.00 0.00 H new ATOM 0 HG2 PRO C 44 16.618 10.484 -3.930 1.00 0.00 H new ATOM 0 HG3 PRO C 44 16.782 11.549 -5.313 1.00 0.00 H new ATOM 0 HD2 PRO C 44 15.252 9.254 -5.358 1.00 0.00 H new ATOM 0 HD3 PRO C 44 15.963 9.953 -6.800 1.00 0.00 H new ATOM 646 N TYR C 45 18.387 6.622 -3.918 1.00 0.00 N ATOM 647 CA TYR C 45 18.393 5.831 -2.698 1.00 0.00 C ATOM 648 C TYR C 45 19.501 4.787 -2.742 1.00 0.00 C ATOM 649 O TYR C 45 20.327 4.804 -3.659 1.00 0.00 O ATOM 650 CB TYR C 45 17.026 5.174 -2.466 1.00 0.00 C ATOM 651 CG TYR C 45 15.888 6.171 -2.374 1.00 0.00 C ATOM 652 CD1 TYR C 45 15.120 6.476 -3.491 1.00 0.00 C ATOM 653 CD2 TYR C 45 15.589 6.815 -1.177 1.00 0.00 C ATOM 654 CE1 TYR C 45 14.091 7.395 -3.421 1.00 0.00 C ATOM 655 CE2 TYR C 45 14.560 7.734 -1.099 1.00 0.00 C ATOM 656 CZ TYR C 45 13.815 8.021 -2.223 1.00 0.00 C ATOM 657 OH TYR C 45 12.786 8.933 -2.149 1.00 0.00 O ATOM 0 H TYR C 45 18.314 6.073 -4.774 1.00 0.00 H new ATOM 0 HA TYR C 45 18.589 6.498 -1.859 1.00 0.00 H new ATOM 0 HB2 TYR C 45 16.824 4.476 -3.279 1.00 0.00 H new ATOM 0 HB3 TYR C 45 17.063 4.590 -1.546 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.331 5.986 -4.430 1.00 0.00 H new ATOM 0 HD2 TYR C 45 16.171 6.593 -0.295 1.00 0.00 H new ATOM 0 HE1 TYR C 45 13.506 7.622 -4.300 1.00 0.00 H new ATOM 0 HE2 TYR C 45 14.341 8.225 -0.162 1.00 0.00 H new ATOM 0 HH TYR C 45 12.723 9.282 -1.235 1.00 0.00 H new ATOM 667 N ALA C 46 19.531 3.918 -1.732 1.00 0.00 N ATOM 668 CA ALA C 46 20.570 2.896 -1.593 1.00 0.00 C ATOM 669 C ALA C 46 20.889 2.199 -2.916 1.00 0.00 C ATOM 670 O ALA C 46 20.019 1.616 -3.565 1.00 0.00 O ATOM 671 CB ALA C 46 20.157 1.869 -0.548 1.00 0.00 C ATOM 0 H ALA C 46 18.835 3.902 -0.986 1.00 0.00 H new ATOM 0 HA ALA C 46 21.479 3.405 -1.271 1.00 0.00 H new ATOM 0 HB1 ALA C 46 20.937 1.113 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA C 46 20.012 2.365 0.412 1.00 0.00 H new ATOM 0 HB3 ALA C 46 19.226 1.393 -0.854 1.00 0.00 H new ATOM 677 N ASP C 47 22.146 2.285 -3.308 1.00 0.00 N ATOM 678 CA ASP C 47 22.631 1.639 -4.516 1.00 0.00 C ATOM 679 C ASP C 47 23.789 0.715 -4.146 1.00 0.00 C ATOM 680 O ASP C 47 24.911 0.869 -4.627 1.00 0.00 O ATOM 681 CB ASP C 47 23.057 2.703 -5.541 1.00 0.00 C ATOM 682 CG ASP C 47 23.613 2.125 -6.833 1.00 0.00 C ATOM 683 OD1 ASP C 47 22.845 1.520 -7.610 1.00 0.00 O ATOM 684 OD2 ASP C 47 24.824 2.300 -7.092 1.00 0.00 O ATOM 0 H ASP C 47 22.861 2.804 -2.799 1.00 0.00 H new ATOM 0 HA ASP C 47 21.842 1.042 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP C 47 22.198 3.332 -5.776 1.00 0.00 H new ATOM 0 HB3 ASP C 47 23.810 3.348 -5.089 1.00 0.00 H new ATOM 689 N GLN C 48 23.497 -0.247 -3.267 1.00 0.00 N ATOM 690 CA GLN C 48 24.519 -1.116 -2.692 1.00 0.00 C ATOM 691 C GLN C 48 23.935 -2.023 -1.631 1.00 0.00 C ATOM 692 O GLN C 48 22.805 -1.833 -1.186 1.00 0.00 O ATOM 693 CB GLN C 48 25.666 -0.299 -2.071 1.00 0.00 C ATOM 694 CG GLN C 48 25.218 0.816 -1.129 1.00 0.00 C ATOM 695 CD GLN C 48 24.723 0.314 0.213 1.00 0.00 C ATOM 696 OE1 GLN C 48 25.208 -0.689 0.739 1.00 0.00 O ATOM 697 NE2 GLN C 48 23.739 0.995 0.767 1.00 0.00 N ATOM 0 H GLN C 48 22.552 -0.442 -2.938 1.00 0.00 H new ATOM 0 HA GLN C 48 24.911 -1.722 -3.509 1.00 0.00 H new ATOM 0 HB2 GLN C 48 26.322 -0.976 -1.524 1.00 0.00 H new ATOM 0 HB3 GLN C 48 26.258 0.139 -2.874 1.00 0.00 H new ATOM 0 HG2 GLN C 48 26.051 1.500 -0.967 1.00 0.00 H new ATOM 0 HG3 GLN C 48 24.424 1.389 -1.609 1.00 0.00 H new ATOM 0 HE21 GLN C 48 23.364 1.821 0.300 1.00 0.00 H new ATOM 0 HE22 GLN C 48 23.353 0.696 1.662 1.00 0.00 H new ATOM 706 N TYR C 49 24.704 -3.036 -1.283 1.00 0.00 N ATOM 707 CA TYR C 49 24.519 -3.765 -0.053 1.00 0.00 C ATOM 708 C TYR C 49 25.850 -4.405 0.332 1.00 0.00 C ATOM 709 O TYR C 49 26.883 -4.037 -0.232 1.00 0.00 O ATOM 710 CB TYR C 49 23.367 -4.784 -0.103 1.00 0.00 C ATOM 711 CG TYR C 49 22.221 -4.426 0.818 1.00 0.00 C ATOM 712 CD1 TYR C 49 22.346 -4.542 2.196 1.00 0.00 C ATOM 713 CD2 TYR C 49 21.017 -3.960 0.306 1.00 0.00 C ATOM 714 CE1 TYR C 49 21.303 -4.202 3.038 1.00 0.00 C ATOM 715 CE2 TYR C 49 19.970 -3.621 1.139 1.00 0.00 C ATOM 716 CZ TYR C 49 20.118 -3.741 2.503 1.00 0.00 C ATOM 717 OH TYR C 49 19.080 -3.395 3.336 1.00 0.00 O ATOM 0 H TYR C 49 25.479 -3.375 -1.853 1.00 0.00 H new ATOM 0 HA TYR C 49 24.211 -3.062 0.721 1.00 0.00 H new ATOM 0 HB2 TYR C 49 22.996 -4.855 -1.125 1.00 0.00 H new ATOM 0 HB3 TYR C 49 23.748 -5.769 0.166 1.00 0.00 H new ATOM 0 HD1 TYR C 49 23.273 -4.904 2.617 1.00 0.00 H new ATOM 0 HD2 TYR C 49 20.898 -3.861 -0.763 1.00 0.00 H new ATOM 0 HE1 TYR C 49 21.416 -4.297 4.108 1.00 0.00 H new ATOM 0 HE2 TYR C 49 19.040 -3.263 0.723 1.00 0.00 H new ATOM 0 HH TYR C 49 18.319 -3.089 2.800 1.00 0.00 H new ATOM 727 N MET C 50 25.851 -5.352 1.264 1.00 0.00 N ATOM 728 CA MET C 50 27.104 -5.796 1.859 1.00 0.00 C ATOM 729 C MET C 50 26.962 -7.171 2.511 1.00 0.00 C ATOM 730 O MET C 50 26.458 -8.103 1.885 1.00 0.00 O ATOM 731 CB MET C 50 27.594 -4.745 2.869 1.00 0.00 C ATOM 732 CG MET C 50 26.532 -4.305 3.870 1.00 0.00 C ATOM 733 SD MET C 50 27.117 -3.016 4.986 1.00 0.00 S ATOM 734 CE MET C 50 25.620 -2.666 5.906 1.00 0.00 C ATOM 0 H MET C 50 25.016 -5.818 1.618 1.00 0.00 H new ATOM 0 HA MET C 50 27.847 -5.900 1.069 1.00 0.00 H new ATOM 0 HB2 MET C 50 28.447 -5.150 3.414 1.00 0.00 H new ATOM 0 HB3 MET C 50 27.950 -3.870 2.324 1.00 0.00 H new ATOM 0 HG2 MET C 50 25.658 -3.942 3.330 1.00 0.00 H new ATOM 0 HG3 MET C 50 26.210 -5.167 4.454 1.00 0.00 H new ATOM 0 HE1 MET C 50 25.766 -1.772 6.512 1.00 0.00 H new ATOM 0 HE2 MET C 50 24.796 -2.503 5.212 1.00 0.00 H new ATOM 0 HE3 MET C 50 25.386 -3.510 6.555 1.00 0.00 H new ATOM 744 N SER C 51 27.406 -7.273 3.765 1.00 0.00 N ATOM 745 CA SER C 51 27.435 -8.525 4.513 1.00 0.00 C ATOM 746 C SER C 51 26.151 -9.340 4.360 1.00 0.00 C ATOM 747 O SER C 51 25.041 -8.810 4.429 1.00 0.00 O ATOM 748 CB SER C 51 27.687 -8.211 5.988 1.00 0.00 C ATOM 749 OG SER C 51 27.322 -6.871 6.290 1.00 0.00 O ATOM 0 H SER C 51 27.760 -6.476 4.294 1.00 0.00 H new ATOM 0 HA SER C 51 28.239 -9.138 4.106 1.00 0.00 H new ATOM 0 HB2 SER C 51 27.116 -8.898 6.613 1.00 0.00 H new ATOM 0 HB3 SER C 51 28.740 -8.367 6.223 1.00 0.00 H new ATOM 0 HG SER C 51 27.490 -6.692 7.239 1.00 0.00 H new ATOM 755 N ALA C 52 26.331 -10.644 4.170 1.00 0.00 N ATOM 756 CA ALA C 52 25.231 -11.567 3.948 1.00 0.00 C ATOM 757 C ALA C 52 24.369 -11.685 5.186 1.00 0.00 C ATOM 758 O ALA C 52 23.182 -11.984 5.092 1.00 0.00 O ATOM 759 CB ALA C 52 25.760 -12.933 3.542 1.00 0.00 C ATOM 0 H ALA C 52 27.249 -11.088 4.166 1.00 0.00 H new ATOM 0 HA ALA C 52 24.615 -11.174 3.139 1.00 0.00 H new ATOM 0 HB1 ALA C 52 24.924 -13.613 3.379 1.00 0.00 H new ATOM 0 HB2 ALA C 52 26.337 -12.841 2.622 1.00 0.00 H new ATOM 0 HB3 ALA C 52 26.399 -13.326 4.333 1.00 0.00 H new ATOM 765 N GLN C 53 24.974 -11.454 6.344 1.00 0.00 N ATOM 766 CA GLN C 53 24.229 -11.400 7.593 1.00 0.00 C ATOM 767 C GLN C 53 23.210 -10.270 7.524 1.00 0.00 C ATOM 768 O GLN C 53 22.065 -10.411 7.956 1.00 0.00 O ATOM 769 CB GLN C 53 25.173 -11.182 8.777 1.00 0.00 C ATOM 770 CG GLN C 53 26.203 -12.285 8.952 1.00 0.00 C ATOM 771 CD GLN C 53 27.093 -12.059 10.155 1.00 0.00 C ATOM 772 OE1 GLN C 53 28.138 -11.415 10.058 1.00 0.00 O ATOM 773 NE2 GLN C 53 26.686 -12.588 11.294 1.00 0.00 N ATOM 0 H GLN C 53 25.978 -11.301 6.443 1.00 0.00 H new ATOM 0 HA GLN C 53 23.714 -12.349 7.738 1.00 0.00 H new ATOM 0 HB2 GLN C 53 25.691 -10.232 8.646 1.00 0.00 H new ATOM 0 HB3 GLN C 53 24.583 -11.101 9.690 1.00 0.00 H new ATOM 0 HG2 GLN C 53 25.692 -13.242 9.056 1.00 0.00 H new ATOM 0 HG3 GLN C 53 26.819 -12.349 8.055 1.00 0.00 H new ATOM 0 HE21 GLN C 53 25.813 -13.114 11.329 1.00 0.00 H new ATOM 0 HE22 GLN C 53 27.245 -12.470 12.139 1.00 0.00 H new ATOM 782 N THR C 54 23.634 -9.163 6.932 1.00 0.00 N ATOM 783 CA THR C 54 22.785 -7.997 6.776 1.00 0.00 C ATOM 784 C THR C 54 21.712 -8.281 5.741 1.00 0.00 C ATOM 785 O THR C 54 20.542 -7.943 5.919 1.00 0.00 O ATOM 786 CB THR C 54 23.611 -6.779 6.324 1.00 0.00 C ATOM 787 OG1 THR C 54 24.785 -6.664 7.138 1.00 0.00 O ATOM 788 CG2 THR C 54 22.791 -5.501 6.417 1.00 0.00 C ATOM 0 H THR C 54 24.572 -9.050 6.549 1.00 0.00 H new ATOM 0 HA THR C 54 22.325 -7.775 7.739 1.00 0.00 H new ATOM 0 HB THR C 54 23.900 -6.925 5.283 1.00 0.00 H new ATOM 0 HG1 THR C 54 25.583 -6.750 6.575 1.00 0.00 H new ATOM 0 HG21 THR C 54 23.397 -4.655 6.092 1.00 0.00 H new ATOM 0 HG22 THR C 54 21.913 -5.585 5.777 1.00 0.00 H new ATOM 0 HG23 THR C 54 22.475 -5.346 7.449 1.00 0.00 H new ATOM 796 N VAL C 55 22.117 -8.956 4.679 1.00 0.00 N ATOM 797 CA VAL C 55 21.218 -9.238 3.573 1.00 0.00 C ATOM 798 C VAL C 55 20.302 -10.405 3.935 1.00 0.00 C ATOM 799 O VAL C 55 19.357 -10.713 3.225 1.00 0.00 O ATOM 800 CB VAL C 55 22.019 -9.546 2.268 1.00 0.00 C ATOM 801 CG1 VAL C 55 21.121 -9.863 1.065 1.00 0.00 C ATOM 802 CG2 VAL C 55 22.943 -8.383 1.933 1.00 0.00 C ATOM 0 H VAL C 55 23.063 -9.319 4.559 1.00 0.00 H new ATOM 0 HA VAL C 55 20.606 -8.355 3.386 1.00 0.00 H new ATOM 0 HB VAL C 55 22.604 -10.444 2.469 1.00 0.00 H new ATOM 0 HG11 VAL C 55 21.741 -10.067 0.192 1.00 0.00 H new ATOM 0 HG12 VAL C 55 20.509 -10.737 1.288 1.00 0.00 H new ATOM 0 HG13 VAL C 55 20.474 -9.010 0.859 1.00 0.00 H new ATOM 0 HG21 VAL C 55 23.496 -8.609 1.021 1.00 0.00 H new ATOM 0 HG22 VAL C 55 22.352 -7.480 1.784 1.00 0.00 H new ATOM 0 HG23 VAL C 55 23.644 -8.227 2.753 1.00 0.00 H new ATOM 812 N ALA C 56 20.571 -11.038 5.066 1.00 0.00 N ATOM 813 CA ALA C 56 19.749 -12.144 5.522 1.00 0.00 C ATOM 814 C ALA C 56 18.507 -11.627 6.219 1.00 0.00 C ATOM 815 O ALA C 56 17.433 -12.216 6.115 1.00 0.00 O ATOM 816 CB ALA C 56 20.537 -13.062 6.443 1.00 0.00 C ATOM 0 H ALA C 56 21.350 -10.805 5.682 1.00 0.00 H new ATOM 0 HA ALA C 56 19.442 -12.723 4.651 1.00 0.00 H new ATOM 0 HB1 ALA C 56 19.899 -13.883 6.771 1.00 0.00 H new ATOM 0 HB2 ALA C 56 21.398 -13.463 5.908 1.00 0.00 H new ATOM 0 HB3 ALA C 56 20.880 -12.499 7.311 1.00 0.00 H new ATOM 822 N VAL C 57 18.648 -10.513 6.914 1.00 0.00 N ATOM 823 CA VAL C 57 17.508 -9.921 7.602 1.00 0.00 C ATOM 824 C VAL C 57 16.806 -8.942 6.678 1.00 0.00 C ATOM 825 O VAL C 57 15.586 -8.799 6.711 1.00 0.00 O ATOM 826 CB VAL C 57 17.912 -9.175 8.890 1.00 0.00 C ATOM 827 CG1 VAL C 57 16.705 -8.983 9.799 1.00 0.00 C ATOM 828 CG2 VAL C 57 19.032 -9.901 9.619 1.00 0.00 C ATOM 0 H VAL C 57 19.526 -10.004 7.018 1.00 0.00 H new ATOM 0 HA VAL C 57 16.847 -10.742 7.881 1.00 0.00 H new ATOM 0 HB VAL C 57 18.286 -8.191 8.606 1.00 0.00 H new ATOM 0 HG11 VAL C 57 17.010 -8.455 10.702 1.00 0.00 H new ATOM 0 HG12 VAL C 57 15.946 -8.401 9.277 1.00 0.00 H new ATOM 0 HG13 VAL C 57 16.294 -9.956 10.069 1.00 0.00 H new ATOM 0 HG21 VAL C 57 19.295 -9.351 10.523 1.00 0.00 H new ATOM 0 HG22 VAL C 57 18.701 -10.904 9.888 1.00 0.00 H new ATOM 0 HG23 VAL C 57 19.905 -9.969 8.969 1.00 0.00 H new ATOM 838 N PHE C 58 17.589 -8.284 5.836 1.00 0.00 N ATOM 839 CA PHE C 58 17.055 -7.238 4.977 1.00 0.00 C ATOM 840 C PHE C 58 16.913 -7.699 3.531 1.00 0.00 C ATOM 841 O PHE C 58 16.888 -6.878 2.615 1.00 0.00 O ATOM 842 CB PHE C 58 17.940 -5.996 5.040 1.00 0.00 C ATOM 843 CG PHE C 58 17.875 -5.275 6.357 1.00 0.00 C ATOM 844 CD1 PHE C 58 16.855 -4.373 6.616 1.00 0.00 C ATOM 845 CD2 PHE C 58 18.830 -5.499 7.337 1.00 0.00 C ATOM 846 CE1 PHE C 58 16.789 -3.709 7.825 1.00 0.00 C ATOM 847 CE2 PHE C 58 18.769 -4.836 8.547 1.00 0.00 C ATOM 848 CZ PHE C 58 17.746 -3.941 8.792 1.00 0.00 C ATOM 0 H PHE C 58 18.589 -8.454 5.729 1.00 0.00 H new ATOM 0 HA PHE C 58 16.059 -6.996 5.347 1.00 0.00 H new ATOM 0 HB2 PHE C 58 18.972 -6.286 4.845 1.00 0.00 H new ATOM 0 HB3 PHE C 58 17.646 -5.310 4.245 1.00 0.00 H new ATOM 0 HD1 PHE C 58 16.103 -4.187 5.863 1.00 0.00 H new ATOM 0 HD2 PHE C 58 19.631 -6.200 7.152 1.00 0.00 H new ATOM 0 HE1 PHE C 58 15.989 -3.009 8.014 1.00 0.00 H new ATOM 0 HE2 PHE C 58 19.521 -5.017 9.301 1.00 0.00 H new ATOM 0 HZ PHE C 58 17.695 -3.424 9.739 1.00 0.00 H new ATOM 858 N LYS C 59 16.848 -9.009 3.329 1.00 0.00 N ATOM 859 CA LYS C 59 16.622 -9.574 2.006 1.00 0.00 C ATOM 860 C LYS C 59 15.209 -9.265 1.515 1.00 0.00 C ATOM 861 O LYS C 59 14.228 -9.741 2.090 1.00 0.00 O ATOM 862 CB LYS C 59 16.824 -11.090 2.053 1.00 0.00 C ATOM 863 CG LYS C 59 16.843 -11.767 0.697 1.00 0.00 C ATOM 864 CD LYS C 59 16.851 -13.279 0.842 1.00 0.00 C ATOM 865 CE LYS C 59 18.046 -13.767 1.652 1.00 0.00 C ATOM 866 NZ LYS C 59 19.339 -13.278 1.104 1.00 0.00 N ATOM 0 H LYS C 59 16.949 -9.703 4.070 1.00 0.00 H new ATOM 0 HA LYS C 59 17.336 -9.126 1.315 1.00 0.00 H new ATOM 0 HB2 LYS C 59 17.763 -11.302 2.564 1.00 0.00 H new ATOM 0 HB3 LYS C 59 16.028 -11.531 2.653 1.00 0.00 H new ATOM 0 HG2 LYS C 59 15.971 -11.458 0.120 1.00 0.00 H new ATOM 0 HG3 LYS C 59 17.723 -11.447 0.139 1.00 0.00 H new ATOM 0 HD2 LYS C 59 15.929 -13.602 1.325 1.00 0.00 H new ATOM 0 HD3 LYS C 59 16.871 -13.738 -0.146 1.00 0.00 H new ATOM 0 HE2 LYS C 59 17.942 -13.433 2.684 1.00 0.00 H new ATOM 0 HE3 LYS C 59 18.050 -14.857 1.668 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 20.018 -14.065 1.062 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 19.189 -12.898 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 19.715 -12.529 1.719 1.00 0.00 H new ATOM 880 N PRO C 60 15.081 -8.460 0.453 1.00 0.00 N ATOM 881 CA PRO C 60 13.813 -8.137 -0.153 1.00 0.00 C ATOM 882 C PRO C 60 13.576 -8.959 -1.420 1.00 0.00 C ATOM 883 O PRO C 60 14.060 -10.086 -1.539 1.00 0.00 O ATOM 884 CB PRO C 60 14.007 -6.655 -0.482 1.00 0.00 C ATOM 885 CG PRO C 60 15.483 -6.482 -0.699 1.00 0.00 C ATOM 886 CD PRO C 60 16.153 -7.764 -0.256 1.00 0.00 C ATOM 0 HA PRO C 60 12.950 -8.347 0.479 1.00 0.00 H new ATOM 0 HB2 PRO C 60 13.444 -6.374 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO C 60 13.653 -6.023 0.332 1.00 0.00 H new ATOM 0 HG2 PRO C 60 15.696 -6.279 -1.748 1.00 0.00 H new ATOM 0 HG3 PRO C 60 15.859 -5.634 -0.127 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.520 -8.343 -1.104 1.00 0.00 H new ATOM 0 HD3 PRO C 60 17.008 -7.571 0.392 1.00 0.00 H new ATOM 894 N GLU C 61 12.834 -8.386 -2.354 1.00 0.00 N ATOM 895 CA GLU C 61 12.526 -9.042 -3.617 1.00 0.00 C ATOM 896 C GLU C 61 12.441 -8.019 -4.739 1.00 0.00 C ATOM 897 O GLU C 61 11.736 -7.015 -4.626 1.00 0.00 O ATOM 898 CB GLU C 61 11.213 -9.821 -3.522 1.00 0.00 C ATOM 899 CG GLU C 61 11.358 -11.163 -2.827 1.00 0.00 C ATOM 900 CD GLU C 61 10.052 -11.917 -2.718 1.00 0.00 C ATOM 901 OE1 GLU C 61 9.356 -12.065 -3.746 1.00 0.00 O ATOM 902 OE2 GLU C 61 9.723 -12.377 -1.606 1.00 0.00 O ATOM 0 H GLU C 61 12.428 -7.455 -2.259 1.00 0.00 H new ATOM 0 HA GLU C 61 13.330 -9.744 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU C 61 10.480 -9.219 -2.985 1.00 0.00 H new ATOM 0 HB3 GLU C 61 10.820 -9.981 -4.526 1.00 0.00 H new ATOM 0 HG2 GLU C 61 12.078 -11.772 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU C 61 11.765 -11.006 -1.828 1.00 0.00 H new ATOM 909 N VAL C 62 13.166 -8.280 -5.816 1.00 0.00 N ATOM 910 CA VAL C 62 13.210 -7.389 -6.945 1.00 0.00 C ATOM 911 C VAL C 62 11.890 -7.427 -7.691 1.00 0.00 C ATOM 912 O VAL C 62 11.393 -8.482 -8.093 1.00 0.00 O ATOM 913 CB VAL C 62 14.381 -7.721 -7.898 1.00 0.00 C ATOM 914 CG1 VAL C 62 15.707 -7.636 -7.157 1.00 0.00 C ATOM 915 CG2 VAL C 62 14.213 -9.095 -8.524 1.00 0.00 C ATOM 0 H VAL C 62 13.737 -9.118 -5.923 1.00 0.00 H new ATOM 0 HA VAL C 62 13.378 -6.381 -6.565 1.00 0.00 H new ATOM 0 HB VAL C 62 14.377 -6.985 -8.702 1.00 0.00 H new ATOM 0 HG11 VAL C 62 16.522 -7.872 -7.841 1.00 0.00 H new ATOM 0 HG12 VAL C 62 15.842 -6.627 -6.767 1.00 0.00 H new ATOM 0 HG13 VAL C 62 15.709 -8.348 -6.331 1.00 0.00 H new ATOM 0 HG21 VAL C 62 15.053 -9.297 -9.188 1.00 0.00 H new ATOM 0 HG22 VAL C 62 14.181 -9.851 -7.739 1.00 0.00 H new ATOM 0 HG23 VAL C 62 13.284 -9.124 -9.094 1.00 0.00 H new ATOM 925 N GLY C 63 11.312 -6.270 -7.816 1.00 0.00 N ATOM 926 CA GLY C 63 10.042 -6.133 -8.493 1.00 0.00 C ATOM 927 C GLY C 63 8.989 -5.512 -7.607 1.00 0.00 C ATOM 928 O GLY C 63 8.064 -4.860 -8.093 1.00 0.00 O ATOM 0 H GLY C 63 11.698 -5.396 -7.457 1.00 0.00 H new ATOM 0 HA2 GLY C 63 10.172 -5.520 -9.385 1.00 0.00 H new ATOM 0 HA3 GLY C 63 9.702 -7.113 -8.826 1.00 0.00 H new ATOM 932 N GLY C 64 9.126 -5.712 -6.305 1.00 0.00 N ATOM 933 CA GLY C 64 8.200 -5.126 -5.374 1.00 0.00 C ATOM 934 C GLY C 64 8.709 -3.808 -4.849 1.00 0.00 C ATOM 935 O GLY C 64 9.704 -3.273 -5.344 1.00 0.00 O ATOM 0 H GLY C 64 9.866 -6.272 -5.881 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.236 -4.978 -5.861 1.00 0.00 H new ATOM 0 HA3 GLY C 64 8.035 -5.811 -4.543 1.00 0.00 H new ATOM 939 N TYR C 65 8.040 -3.294 -3.844 1.00 0.00 N ATOM 940 CA TYR C 65 8.392 -2.009 -3.261 1.00 0.00 C ATOM 941 C TYR C 65 8.917 -2.187 -1.849 1.00 0.00 C ATOM 942 O TYR C 65 8.366 -2.959 -1.064 1.00 0.00 O ATOM 943 CB TYR C 65 7.181 -1.075 -3.237 1.00 0.00 C ATOM 944 CG TYR C 65 6.855 -0.444 -4.571 1.00 0.00 C ATOM 945 CD1 TYR C 65 7.211 0.872 -4.841 1.00 0.00 C ATOM 946 CD2 TYR C 65 6.181 -1.153 -5.553 1.00 0.00 C ATOM 947 CE1 TYR C 65 6.902 1.462 -6.051 1.00 0.00 C ATOM 948 CE2 TYR C 65 5.874 -0.572 -6.768 1.00 0.00 C ATOM 949 CZ TYR C 65 6.233 0.735 -7.010 1.00 0.00 C ATOM 950 OH TYR C 65 5.914 1.318 -8.217 1.00 0.00 O ATOM 0 H TYR C 65 7.239 -3.748 -3.405 1.00 0.00 H new ATOM 0 HA TYR C 65 9.172 -1.566 -3.880 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.312 -1.635 -2.891 1.00 0.00 H new ATOM 0 HB3 TYR C 65 7.361 -0.284 -2.509 1.00 0.00 H new ATOM 0 HD1 TYR C 65 7.739 1.443 -4.092 1.00 0.00 H new ATOM 0 HD2 TYR C 65 5.891 -2.176 -5.365 1.00 0.00 H new ATOM 0 HE1 TYR C 65 7.183 2.487 -6.244 1.00 0.00 H new ATOM 0 HE2 TYR C 65 5.354 -1.141 -7.525 1.00 0.00 H new ATOM 0 HH TYR C 65 5.444 0.668 -8.780 1.00 0.00 H new ATOM 960 N LEU C 66 9.991 -1.487 -1.543 1.00 0.00 N ATOM 961 CA LEU C 66 10.496 -1.409 -0.187 1.00 0.00 C ATOM 962 C LEU C 66 9.885 -0.168 0.443 1.00 0.00 C ATOM 963 O LEU C 66 9.983 0.914 -0.120 1.00 0.00 O ATOM 964 CB LEU C 66 12.029 -1.311 -0.211 1.00 0.00 C ATOM 965 CG LEU C 66 12.783 -1.656 1.090 1.00 0.00 C ATOM 966 CD1 LEU C 66 12.474 -0.665 2.204 1.00 0.00 C ATOM 967 CD2 LEU C 66 12.466 -3.075 1.535 1.00 0.00 C ATOM 0 H LEU C 66 10.536 -0.958 -2.224 1.00 0.00 H new ATOM 0 HA LEU C 66 10.231 -2.296 0.389 1.00 0.00 H new ATOM 0 HB2 LEU C 66 12.396 -1.970 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU C 66 12.297 -0.294 -0.496 1.00 0.00 H new ATOM 0 HG LEU C 66 13.849 -1.586 0.876 1.00 0.00 H new ATOM 0 HD11 LEU C 66 13.025 -0.944 3.102 1.00 0.00 H new ATOM 0 HD12 LEU C 66 12.771 0.337 1.893 1.00 0.00 H new ATOM 0 HD13 LEU C 66 11.405 -0.677 2.416 1.00 0.00 H new ATOM 0 HD21 LEU C 66 13.008 -3.298 2.454 1.00 0.00 H new ATOM 0 HD22 LEU C 66 11.395 -3.170 1.713 1.00 0.00 H new ATOM 0 HD23 LEU C 66 12.768 -3.776 0.757 1.00 0.00 H new ATOM 979 N PHE C 67 9.232 -0.310 1.575 1.00 0.00 N ATOM 980 CA PHE C 67 8.563 0.829 2.177 1.00 0.00 C ATOM 981 C PHE C 67 9.035 1.061 3.603 1.00 0.00 C ATOM 982 O PHE C 67 9.385 0.117 4.314 1.00 0.00 O ATOM 983 CB PHE C 67 7.042 0.651 2.136 1.00 0.00 C ATOM 984 CG PHE C 67 6.547 -0.605 2.795 1.00 0.00 C ATOM 985 CD1 PHE C 67 6.433 -1.778 2.069 1.00 0.00 C ATOM 986 CD2 PHE C 67 6.190 -0.610 4.133 1.00 0.00 C ATOM 987 CE1 PHE C 67 5.971 -2.934 2.665 1.00 0.00 C ATOM 988 CE2 PHE C 67 5.730 -1.763 4.736 1.00 0.00 C ATOM 989 CZ PHE C 67 5.620 -2.927 4.001 1.00 0.00 C ATOM 0 H PHE C 67 9.148 -1.185 2.092 1.00 0.00 H new ATOM 0 HA PHE C 67 8.824 1.711 1.592 1.00 0.00 H new ATOM 0 HB2 PHE C 67 6.575 1.509 2.619 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.716 0.654 1.096 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.709 -1.789 1.025 1.00 0.00 H new ATOM 0 HD2 PHE C 67 6.272 0.299 4.711 1.00 0.00 H new ATOM 0 HE1 PHE C 67 5.884 -3.843 2.088 1.00 0.00 H new ATOM 0 HE2 PHE C 67 5.457 -1.755 5.781 1.00 0.00 H new ATOM 0 HZ PHE C 67 5.260 -3.831 4.470 1.00 0.00 H new ATOM 999 N ARG C 68 9.064 2.322 4.007 1.00 0.00 N ATOM 1000 CA ARG C 68 9.421 2.675 5.369 1.00 0.00 C ATOM 1001 C ARG C 68 8.325 3.505 6.012 1.00 0.00 C ATOM 1002 O ARG C 68 7.630 4.272 5.335 1.00 0.00 O ATOM 1003 CB ARG C 68 10.737 3.448 5.412 1.00 0.00 C ATOM 1004 CG ARG C 68 10.757 4.687 4.537 1.00 0.00 C ATOM 1005 CD ARG C 68 11.739 5.712 5.069 1.00 0.00 C ATOM 1006 NE ARG C 68 11.245 6.347 6.289 1.00 0.00 N ATOM 1007 CZ ARG C 68 11.954 6.488 7.408 1.00 0.00 C ATOM 1008 NH1 ARG C 68 13.195 6.016 7.486 1.00 0.00 N ATOM 1009 NH2 ARG C 68 11.414 7.098 8.456 1.00 0.00 N ATOM 0 H ARG C 68 8.844 3.118 3.408 1.00 0.00 H new ATOM 0 HA ARG C 68 9.543 1.746 5.927 1.00 0.00 H new ATOM 0 HB2 ARG C 68 10.940 3.741 6.442 1.00 0.00 H new ATOM 0 HB3 ARG C 68 11.545 2.785 5.103 1.00 0.00 H new ATOM 0 HG2 ARG C 68 11.029 4.412 3.518 1.00 0.00 H new ATOM 0 HG3 ARG C 68 9.759 5.123 4.494 1.00 0.00 H new ATOM 0 HD2 ARG C 68 12.696 5.230 5.271 1.00 0.00 H new ATOM 0 HD3 ARG C 68 11.919 6.473 4.309 1.00 0.00 H new ATOM 0 HE ARG C 68 10.291 6.707 6.283 1.00 0.00 H new ATOM 0 HH11 ARG C 68 13.611 5.541 6.685 1.00 0.00 H new ATOM 0 HH12 ARG C 68 13.730 6.129 8.347 1.00 0.00 H new ATOM 0 HH21 ARG C 68 10.460 7.456 8.402 1.00 0.00 H new ATOM 0 HH22 ARG C 68 11.953 7.209 9.315 1.00 0.00 H new ATOM 1023 N SER C 69 8.178 3.354 7.317 1.00 0.00 N ATOM 1024 CA SER C 69 7.201 4.118 8.063 1.00 0.00 C ATOM 1025 C SER C 69 7.879 4.932 9.157 1.00 0.00 C ATOM 1026 O SER C 69 9.082 4.787 9.391 1.00 0.00 O ATOM 1027 CB SER C 69 6.150 3.189 8.668 1.00 0.00 C ATOM 1028 OG SER C 69 6.755 2.192 9.473 1.00 0.00 O ATOM 0 H SER C 69 8.727 2.705 7.881 1.00 0.00 H new ATOM 0 HA SER C 69 6.706 4.806 7.378 1.00 0.00 H new ATOM 0 HB2 SER C 69 5.449 3.769 9.268 1.00 0.00 H new ATOM 0 HB3 SER C 69 5.574 2.718 7.871 1.00 0.00 H new ATOM 0 HG SER C 69 6.090 1.822 10.090 1.00 0.00 H new ATOM 1034 N GLN C 70 7.108 5.768 9.829 1.00 0.00 N ATOM 1035 CA GLN C 70 7.629 6.645 10.875 1.00 0.00 C ATOM 1036 C GLN C 70 8.265 5.827 11.986 1.00 0.00 C ATOM 1037 O GLN C 70 9.344 6.155 12.485 1.00 0.00 O ATOM 1038 CB GLN C 70 6.504 7.479 11.482 1.00 0.00 C ATOM 1039 CG GLN C 70 5.714 8.320 10.484 1.00 0.00 C ATOM 1040 CD GLN C 70 4.823 7.487 9.580 1.00 0.00 C ATOM 1041 OE1 GLN C 70 4.335 6.427 9.973 1.00 0.00 O ATOM 1042 NE2 GLN C 70 4.617 7.950 8.362 1.00 0.00 N ATOM 0 H GLN C 70 6.105 5.862 9.669 1.00 0.00 H new ATOM 0 HA GLN C 70 8.373 7.298 10.419 1.00 0.00 H new ATOM 0 HB2 GLN C 70 5.814 6.811 11.997 1.00 0.00 H new ATOM 0 HB3 GLN C 70 6.929 8.141 12.236 1.00 0.00 H new ATOM 0 HG2 GLN C 70 5.100 9.038 11.028 1.00 0.00 H new ATOM 0 HG3 GLN C 70 6.409 8.894 9.871 1.00 0.00 H new ATOM 0 HE21 GLN C 70 5.039 8.833 8.074 1.00 0.00 H new ATOM 0 HE22 GLN C 70 4.036 7.425 7.708 1.00 0.00 H new ATOM 1051 N TYR C 71 7.585 4.740 12.337 1.00 0.00 N ATOM 1052 CA TYR C 71 7.984 3.875 13.442 1.00 0.00 C ATOM 1053 C TYR C 71 9.219 3.065 13.071 1.00 0.00 C ATOM 1054 O TYR C 71 9.706 2.246 13.852 1.00 0.00 O ATOM 1055 CB TYR C 71 6.827 2.941 13.797 1.00 0.00 C ATOM 1056 CG TYR C 71 5.496 3.654 13.864 1.00 0.00 C ATOM 1057 CD1 TYR C 71 4.609 3.604 12.795 1.00 0.00 C ATOM 1058 CD2 TYR C 71 5.135 4.392 14.982 1.00 0.00 C ATOM 1059 CE1 TYR C 71 3.400 4.270 12.841 1.00 0.00 C ATOM 1060 CE2 TYR C 71 3.927 5.057 15.037 1.00 0.00 C ATOM 1061 CZ TYR C 71 3.064 4.994 13.964 1.00 0.00 C ATOM 1062 OH TYR C 71 1.863 5.664 14.012 1.00 0.00 O ATOM 0 H TYR C 71 6.737 4.433 11.860 1.00 0.00 H new ATOM 0 HA TYR C 71 8.230 4.493 14.306 1.00 0.00 H new ATOM 0 HB2 TYR C 71 6.770 2.144 13.056 1.00 0.00 H new ATOM 0 HB3 TYR C 71 7.030 2.469 14.758 1.00 0.00 H new ATOM 0 HD1 TYR C 71 4.869 3.035 11.915 1.00 0.00 H new ATOM 0 HD2 TYR C 71 5.810 4.447 15.823 1.00 0.00 H new ATOM 0 HE1 TYR C 71 2.722 4.224 12.002 1.00 0.00 H new ATOM 0 HE2 TYR C 71 3.659 5.624 15.916 1.00 0.00 H new ATOM 0 HH TYR C 71 1.779 6.124 14.873 1.00 0.00 H new ATOM 1072 N GLY C 72 9.705 3.296 11.865 1.00 0.00 N ATOM 1073 CA GLY C 72 10.919 2.650 11.413 1.00 0.00 C ATOM 1074 C GLY C 72 10.699 1.218 10.979 1.00 0.00 C ATOM 1075 O GLY C 72 11.604 0.388 11.075 1.00 0.00 O ATOM 0 H GLY C 72 9.278 3.924 11.184 1.00 0.00 H new ATOM 0 HA2 GLY C 72 11.337 3.216 10.581 1.00 0.00 H new ATOM 0 HA3 GLY C 72 11.656 2.672 12.216 1.00 0.00 H new ATOM 1079 N GLU C 73 9.498 0.917 10.509 1.00 0.00 N ATOM 1080 CA GLU C 73 9.211 -0.406 9.984 1.00 0.00 C ATOM 1081 C GLU C 73 9.482 -0.427 8.487 1.00 0.00 C ATOM 1082 O GLU C 73 8.717 0.130 7.700 1.00 0.00 O ATOM 1083 CB GLU C 73 7.762 -0.809 10.263 1.00 0.00 C ATOM 1084 CG GLU C 73 7.384 -0.751 11.734 1.00 0.00 C ATOM 1085 CD GLU C 73 5.989 -1.278 11.997 1.00 0.00 C ATOM 1086 OE1 GLU C 73 5.009 -0.584 11.655 1.00 0.00 O ATOM 1087 OE2 GLU C 73 5.865 -2.387 12.557 1.00 0.00 O ATOM 0 H GLU C 73 8.712 1.567 10.481 1.00 0.00 H new ATOM 0 HA GLU C 73 9.860 -1.126 10.483 1.00 0.00 H new ATOM 0 HB2 GLU C 73 7.097 -0.154 9.700 1.00 0.00 H new ATOM 0 HB3 GLU C 73 7.599 -1.822 9.895 1.00 0.00 H new ATOM 0 HG2 GLU C 73 8.103 -1.331 12.313 1.00 0.00 H new ATOM 0 HG3 GLU C 73 7.451 0.280 12.082 1.00 0.00 H new ATOM 1094 N LEU C 74 10.590 -1.038 8.101 1.00 0.00 N ATOM 1095 CA LEU C 74 10.959 -1.118 6.699 1.00 0.00 C ATOM 1096 C LEU C 74 10.820 -2.536 6.186 1.00 0.00 C ATOM 1097 O LEU C 74 11.596 -3.422 6.546 1.00 0.00 O ATOM 1098 CB LEU C 74 12.381 -0.606 6.467 1.00 0.00 C ATOM 1099 CG LEU C 74 12.543 0.896 6.665 1.00 0.00 C ATOM 1100 CD1 LEU C 74 12.850 1.233 8.115 1.00 0.00 C ATOM 1101 CD2 LEU C 74 13.613 1.454 5.744 1.00 0.00 C ATOM 0 H LEU C 74 11.248 -1.485 8.739 1.00 0.00 H new ATOM 0 HA LEU C 74 10.275 -0.478 6.142 1.00 0.00 H new ATOM 0 HB2 LEU C 74 13.058 -1.126 7.145 1.00 0.00 H new ATOM 0 HB3 LEU C 74 12.687 -0.863 5.453 1.00 0.00 H new ATOM 0 HG LEU C 74 11.594 1.366 6.407 1.00 0.00 H new ATOM 0 HD11 LEU C 74 12.960 2.312 8.222 1.00 0.00 H new ATOM 0 HD12 LEU C 74 12.034 0.886 8.750 1.00 0.00 H new ATOM 0 HD13 LEU C 74 13.776 0.743 8.414 1.00 0.00 H new ATOM 0 HD21 LEU C 74 13.708 2.528 5.906 1.00 0.00 H new ATOM 0 HD22 LEU C 74 14.566 0.969 5.957 1.00 0.00 H new ATOM 0 HD23 LEU C 74 13.334 1.267 4.707 1.00 0.00 H new ATOM 1113 N LEU C 75 9.815 -2.738 5.355 1.00 0.00 N ATOM 1114 CA LEU C 75 9.528 -4.048 4.784 1.00 0.00 C ATOM 1115 C LEU C 75 9.382 -3.922 3.277 1.00 0.00 C ATOM 1116 O LEU C 75 9.421 -2.819 2.735 1.00 0.00 O ATOM 1117 CB LEU C 75 8.237 -4.651 5.370 1.00 0.00 C ATOM 1118 CG LEU C 75 8.267 -5.065 6.851 1.00 0.00 C ATOM 1119 CD1 LEU C 75 9.509 -5.887 7.167 1.00 0.00 C ATOM 1120 CD2 LEU C 75 8.166 -3.850 7.762 1.00 0.00 C ATOM 0 H LEU C 75 9.174 -2.003 5.055 1.00 0.00 H new ATOM 0 HA LEU C 75 10.357 -4.712 5.031 1.00 0.00 H new ATOM 0 HB2 LEU C 75 7.434 -3.926 5.238 1.00 0.00 H new ATOM 0 HB3 LEU C 75 7.975 -5.528 4.779 1.00 0.00 H new ATOM 0 HG LEU C 75 7.397 -5.694 7.038 1.00 0.00 H new ATOM 0 HD11 LEU C 75 9.503 -6.165 8.221 1.00 0.00 H new ATOM 0 HD12 LEU C 75 9.515 -6.788 6.554 1.00 0.00 H new ATOM 0 HD13 LEU C 75 10.400 -5.297 6.953 1.00 0.00 H new ATOM 0 HD21 LEU C 75 8.190 -4.173 8.803 1.00 0.00 H new ATOM 0 HD22 LEU C 75 9.005 -3.181 7.570 1.00 0.00 H new ATOM 0 HD23 LEU C 75 7.231 -3.325 7.566 1.00 0.00 H new ATOM 1132 N TYR C 76 9.209 -5.046 2.604 1.00 0.00 N ATOM 1133 CA TYR C 76 8.998 -5.041 1.167 1.00 0.00 C ATOM 1134 C TYR C 76 7.682 -5.736 0.844 1.00 0.00 C ATOM 1135 O TYR C 76 7.285 -6.672 1.539 1.00 0.00 O ATOM 1136 CB TYR C 76 10.157 -5.734 0.435 1.00 0.00 C ATOM 1137 CG TYR C 76 10.171 -7.240 0.589 1.00 0.00 C ATOM 1138 CD1 TYR C 76 9.552 -8.053 -0.352 1.00 0.00 C ATOM 1139 CD2 TYR C 76 10.798 -7.846 1.670 1.00 0.00 C ATOM 1140 CE1 TYR C 76 9.551 -9.425 -0.217 1.00 0.00 C ATOM 1141 CE2 TYR C 76 10.803 -9.222 1.809 1.00 0.00 C ATOM 1142 CZ TYR C 76 10.177 -10.005 0.863 1.00 0.00 C ATOM 1143 OH TYR C 76 10.177 -11.372 0.995 1.00 0.00 O ATOM 0 H TYR C 76 9.210 -5.973 3.029 1.00 0.00 H new ATOM 0 HA TYR C 76 8.957 -4.007 0.826 1.00 0.00 H new ATOM 0 HB2 TYR C 76 10.102 -5.488 -0.625 1.00 0.00 H new ATOM 0 HB3 TYR C 76 11.100 -5.332 0.807 1.00 0.00 H new ATOM 0 HD1 TYR C 76 9.063 -7.603 -1.203 1.00 0.00 H new ATOM 0 HD2 TYR C 76 11.289 -7.234 2.413 1.00 0.00 H new ATOM 0 HE1 TYR C 76 9.061 -10.042 -0.956 1.00 0.00 H new ATOM 0 HE2 TYR C 76 11.295 -9.681 2.654 1.00 0.00 H new ATOM 0 HH TYR C 76 10.022 -11.785 0.120 1.00 0.00 H new ATOM 1153 N MET C 77 7.009 -5.271 -0.193 1.00 0.00 N ATOM 1154 CA MET C 77 5.755 -5.873 -0.611 1.00 0.00 C ATOM 1155 C MET C 77 5.527 -5.646 -2.099 1.00 0.00 C ATOM 1156 O MET C 77 5.838 -4.578 -2.632 1.00 0.00 O ATOM 1157 CB MET C 77 4.595 -5.277 0.193 1.00 0.00 C ATOM 1158 CG MET C 77 3.262 -5.971 -0.044 1.00 0.00 C ATOM 1159 SD MET C 77 3.287 -7.713 0.422 1.00 0.00 S ATOM 1160 CE MET C 77 3.714 -7.593 2.159 1.00 0.00 C ATOM 0 H MET C 77 7.309 -4.479 -0.761 1.00 0.00 H new ATOM 0 HA MET C 77 5.804 -6.946 -0.425 1.00 0.00 H new ATOM 0 HB2 MET C 77 4.837 -5.329 1.255 1.00 0.00 H new ATOM 0 HB3 MET C 77 4.494 -4.222 -0.060 1.00 0.00 H new ATOM 0 HG2 MET C 77 2.485 -5.459 0.524 1.00 0.00 H new ATOM 0 HG3 MET C 77 2.995 -5.885 -1.097 1.00 0.00 H new ATOM 0 HE1 MET C 77 3.429 -8.514 2.668 1.00 0.00 H new ATOM 0 HE2 MET C 77 4.789 -7.440 2.260 1.00 0.00 H new ATOM 0 HE3 MET C 77 3.185 -6.752 2.607 1.00 0.00 H new ATOM 1170 N SER C 78 5.022 -6.671 -2.766 1.00 0.00 N ATOM 1171 CA SER C 78 4.607 -6.563 -4.155 1.00 0.00 C ATOM 1172 C SER C 78 3.499 -5.521 -4.274 1.00 0.00 C ATOM 1173 O SER C 78 2.607 -5.459 -3.429 1.00 0.00 O ATOM 1174 CB SER C 78 4.125 -7.928 -4.643 1.00 0.00 C ATOM 1175 OG SER C 78 3.274 -8.535 -3.683 1.00 0.00 O ATOM 0 H SER C 78 4.889 -7.598 -2.362 1.00 0.00 H new ATOM 0 HA SER C 78 5.446 -6.247 -4.774 1.00 0.00 H new ATOM 0 HB2 SER C 78 3.593 -7.814 -5.587 1.00 0.00 H new ATOM 0 HB3 SER C 78 4.982 -8.574 -4.836 1.00 0.00 H new ATOM 0 HG SER C 78 2.975 -9.407 -4.016 1.00 0.00 H new ATOM 1181 N LYS C 79 3.563 -4.702 -5.324 1.00 0.00 N ATOM 1182 CA LYS C 79 2.716 -3.519 -5.423 1.00 0.00 C ATOM 1183 C LYS C 79 1.241 -3.868 -5.507 1.00 0.00 C ATOM 1184 O LYS C 79 0.398 -3.058 -5.136 1.00 0.00 O ATOM 1185 CB LYS C 79 3.109 -2.636 -6.605 1.00 0.00 C ATOM 1186 CG LYS C 79 3.056 -3.324 -7.961 1.00 0.00 C ATOM 1187 CD LYS C 79 3.404 -2.352 -9.076 1.00 0.00 C ATOM 1188 CE LYS C 79 3.339 -3.007 -10.444 1.00 0.00 C ATOM 1189 NZ LYS C 79 3.650 -2.039 -11.527 1.00 0.00 N ATOM 0 H LYS C 79 4.192 -4.838 -6.115 1.00 0.00 H new ATOM 0 HA LYS C 79 2.877 -2.959 -4.502 1.00 0.00 H new ATOM 0 HB2 LYS C 79 2.449 -1.769 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS C 79 4.120 -2.263 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS C 79 3.751 -4.163 -7.975 1.00 0.00 H new ATOM 0 HG3 LYS C 79 2.059 -3.733 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS C 79 2.717 -1.506 -9.046 1.00 0.00 H new ATOM 0 HD3 LYS C 79 4.406 -1.955 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS C 79 4.043 -3.838 -10.484 1.00 0.00 H new ATOM 0 HE3 LYS C 79 2.344 -3.424 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 3.597 -2.519 -12.448 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 2.963 -1.259 -11.503 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 4.609 -1.660 -11.389 1.00 0.00 H new ATOM 1203 N THR C 80 0.934 -5.063 -5.989 1.00 0.00 N ATOM 1204 CA THR C 80 -0.437 -5.531 -6.032 1.00 0.00 C ATOM 1205 C THR C 80 -1.017 -5.601 -4.621 1.00 0.00 C ATOM 1206 O THR C 80 -2.070 -5.024 -4.332 1.00 0.00 O ATOM 1207 CB THR C 80 -0.513 -6.912 -6.703 1.00 0.00 C ATOM 1208 OG1 THR C 80 0.580 -7.730 -6.258 1.00 0.00 O ATOM 1209 CG2 THR C 80 -0.472 -6.782 -8.217 1.00 0.00 C ATOM 0 H THR C 80 1.619 -5.724 -6.355 1.00 0.00 H new ATOM 0 HA THR C 80 -1.024 -4.825 -6.620 1.00 0.00 H new ATOM 0 HB THR C 80 -1.457 -7.379 -6.422 1.00 0.00 H new ATOM 0 HG1 THR C 80 0.526 -8.609 -6.687 1.00 0.00 H new ATOM 0 HG21 THR C 80 -0.527 -7.772 -8.669 1.00 0.00 H new ATOM 0 HG22 THR C 80 -1.317 -6.182 -8.554 1.00 0.00 H new ATOM 0 HG23 THR C 80 0.458 -6.298 -8.516 1.00 0.00 H new ATOM 1217 N ALA C 81 -0.298 -6.279 -3.737 1.00 0.00 N ATOM 1218 CA ALA C 81 -0.703 -6.400 -2.346 1.00 0.00 C ATOM 1219 C ALA C 81 -0.491 -5.087 -1.605 1.00 0.00 C ATOM 1220 O ALA C 81 -1.335 -4.662 -0.820 1.00 0.00 O ATOM 1221 CB ALA C 81 0.080 -7.513 -1.673 1.00 0.00 C ATOM 0 H ALA C 81 0.575 -6.756 -3.962 1.00 0.00 H new ATOM 0 HA ALA C 81 -1.765 -6.642 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA C 81 -0.229 -7.597 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA C 81 -0.113 -8.455 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA C 81 1.145 -7.287 -1.718 1.00 0.00 H new ATOM 1227 N PHE C 82 0.636 -4.443 -1.879 1.00 0.00 N ATOM 1228 CA PHE C 82 1.005 -3.186 -1.235 1.00 0.00 C ATOM 1229 C PHE C 82 -0.076 -2.128 -1.459 1.00 0.00 C ATOM 1230 O PHE C 82 -0.460 -1.405 -0.542 1.00 0.00 O ATOM 1231 CB PHE C 82 2.354 -2.716 -1.793 1.00 0.00 C ATOM 1232 CG PHE C 82 2.961 -1.529 -1.099 1.00 0.00 C ATOM 1233 CD1 PHE C 82 3.676 -0.590 -1.825 1.00 0.00 C ATOM 1234 CD2 PHE C 82 2.827 -1.352 0.268 1.00 0.00 C ATOM 1235 CE1 PHE C 82 4.245 0.501 -1.201 1.00 0.00 C ATOM 1236 CE2 PHE C 82 3.392 -0.261 0.897 1.00 0.00 C ATOM 1237 CZ PHE C 82 4.103 0.667 0.161 1.00 0.00 C ATOM 0 H PHE C 82 1.323 -4.777 -2.555 1.00 0.00 H new ATOM 0 HA PHE C 82 1.096 -3.341 -0.160 1.00 0.00 H new ATOM 0 HB2 PHE C 82 3.059 -3.546 -1.740 1.00 0.00 H new ATOM 0 HB3 PHE C 82 2.227 -2.473 -2.848 1.00 0.00 H new ATOM 0 HD1 PHE C 82 3.789 -0.714 -2.892 1.00 0.00 H new ATOM 0 HD2 PHE C 82 2.274 -2.076 0.848 1.00 0.00 H new ATOM 0 HE1 PHE C 82 4.801 1.225 -1.778 1.00 0.00 H new ATOM 0 HE2 PHE C 82 3.278 -0.133 1.963 1.00 0.00 H new ATOM 0 HZ PHE C 82 4.547 1.521 0.651 1.00 0.00 H new ATOM 1247 N GLU C 83 -0.581 -2.064 -2.679 1.00 0.00 N ATOM 1248 CA GLU C 83 -1.641 -1.127 -3.020 1.00 0.00 C ATOM 1249 C GLU C 83 -2.934 -1.452 -2.271 1.00 0.00 C ATOM 1250 O GLU C 83 -3.653 -0.556 -1.839 1.00 0.00 O ATOM 1251 CB GLU C 83 -1.884 -1.156 -4.531 1.00 0.00 C ATOM 1252 CG GLU C 83 -3.094 -0.358 -4.986 1.00 0.00 C ATOM 1253 CD GLU C 83 -3.331 -0.483 -6.474 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -3.162 0.520 -7.195 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -3.671 -1.590 -6.932 1.00 0.00 O ATOM 0 H GLU C 83 -0.273 -2.652 -3.454 1.00 0.00 H new ATOM 0 HA GLU C 83 -1.326 -0.128 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -0.999 -0.771 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -2.007 -2.192 -4.847 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -3.978 -0.702 -4.448 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -2.953 0.692 -4.729 1.00 0.00 H new ATOM 1262 N ALA C 84 -3.183 -2.737 -2.061 1.00 0.00 N ATOM 1263 CA ALA C 84 -4.488 -3.197 -1.609 1.00 0.00 C ATOM 1264 C ALA C 84 -4.554 -3.323 -0.098 1.00 0.00 C ATOM 1265 O ALA C 84 -5.612 -3.139 0.502 1.00 0.00 O ATOM 1266 CB ALA C 84 -4.834 -4.522 -2.267 1.00 0.00 C ATOM 0 H ALA C 84 -2.497 -3.480 -2.197 1.00 0.00 H new ATOM 0 HA ALA C 84 -5.222 -2.447 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -5.812 -4.856 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -4.856 -4.396 -3.349 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -4.083 -5.266 -2.003 1.00 0.00 H new ATOM 1272 N ASN C 85 -3.424 -3.627 0.521 1.00 0.00 N ATOM 1273 CA ASN C 85 -3.375 -3.780 1.963 1.00 0.00 C ATOM 1274 C ASN C 85 -3.547 -2.430 2.638 1.00 0.00 C ATOM 1275 O ASN C 85 -4.087 -2.342 3.741 1.00 0.00 O ATOM 1276 CB ASN C 85 -2.053 -4.425 2.400 1.00 0.00 C ATOM 1277 CG ASN C 85 -2.005 -5.930 2.170 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -2.773 -6.418 1.209 1.00 0.00 O flip ATOM 1279 ND2 ASN C 85 -1.285 -6.650 2.862 1.00 0.00 N flip ATOM 0 H ASN C 85 -2.532 -3.772 0.048 1.00 0.00 H new ATOM 0 HA ASN C 85 -4.191 -4.436 2.266 1.00 0.00 H new ATOM 0 HB2 ASN C 85 -1.232 -3.956 1.857 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -1.892 -4.222 3.459 1.00 0.00 H new ATOM 0 HD21 ASN C 85 -0.706 -6.239 3.594 1.00 0.00 H new ATOM 0 HD22 ASN C 85 -1.268 -7.657 2.703 1.00 0.00 H new ATOM 1286 N TYR C 86 -3.104 -1.368 1.970 1.00 0.00 N ATOM 1287 CA TYR C 86 -3.139 -0.052 2.579 1.00 0.00 C ATOM 1288 C TYR C 86 -4.328 0.755 2.086 1.00 0.00 C ATOM 1289 O TYR C 86 -5.319 0.900 2.797 1.00 0.00 O ATOM 1290 CB TYR C 86 -1.817 0.678 2.321 1.00 0.00 C ATOM 1291 CG TYR C 86 -0.634 -0.085 2.865 1.00 0.00 C ATOM 1292 CD1 TYR C 86 0.124 0.395 3.923 1.00 0.00 C ATOM 1293 CD2 TYR C 86 -0.308 -1.316 2.334 1.00 0.00 C ATOM 1294 CE1 TYR C 86 1.177 -0.345 4.429 1.00 0.00 C ATOM 1295 CE2 TYR C 86 0.730 -2.055 2.819 1.00 0.00 C ATOM 1296 CZ TYR C 86 1.477 -1.572 3.872 1.00 0.00 C ATOM 1297 OH TYR C 86 2.515 -2.318 4.374 1.00 0.00 O ATOM 0 H TYR C 86 -2.724 -1.396 1.024 1.00 0.00 H new ATOM 0 HA TYR C 86 -3.262 -0.170 3.656 1.00 0.00 H new ATOM 0 HB2 TYR C 86 -1.689 0.829 1.249 1.00 0.00 H new ATOM 0 HB3 TYR C 86 -1.853 1.666 2.780 1.00 0.00 H new ATOM 0 HD1 TYR C 86 -0.111 1.356 4.356 1.00 0.00 H new ATOM 0 HD2 TYR C 86 -0.891 -1.705 1.512 1.00 0.00 H new ATOM 0 HE1 TYR C 86 1.761 0.035 5.255 1.00 0.00 H new ATOM 0 HE2 TYR C 86 0.966 -3.013 2.381 1.00 0.00 H new ATOM 0 HH TYR C 86 3.364 -1.867 4.183 1.00 0.00 H new ATOM 1307 N THR C 87 -4.245 1.257 0.872 1.00 0.00 N ATOM 1308 CA THR C 87 -5.298 2.107 0.346 1.00 0.00 C ATOM 1309 C THR C 87 -6.420 1.287 -0.297 1.00 0.00 C ATOM 1310 O THR C 87 -7.585 1.415 0.087 1.00 0.00 O ATOM 1311 CB THR C 87 -4.714 3.112 -0.667 1.00 0.00 C ATOM 1312 OG1 THR C 87 -4.278 2.441 -1.857 1.00 0.00 O ATOM 1313 CG2 THR C 87 -3.526 3.816 -0.044 1.00 0.00 C ATOM 0 H THR C 87 -3.467 1.094 0.233 1.00 0.00 H new ATOM 0 HA THR C 87 -5.732 2.656 1.182 1.00 0.00 H new ATOM 0 HB THR C 87 -5.491 3.830 -0.928 1.00 0.00 H new ATOM 0 HG1 THR C 87 -4.095 1.500 -1.654 1.00 0.00 H new ATOM 0 HG21 THR C 87 -3.110 4.528 -0.757 1.00 0.00 H new ATOM 0 HG22 THR C 87 -3.846 4.346 0.853 1.00 0.00 H new ATOM 0 HG23 THR C 87 -2.766 3.081 0.221 1.00 0.00 H new