USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=24 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 -179:sc= 1.17 USER MOD Set 1.2: C 54 THR OG1 : rot 125:sc= 1.27 USER MOD Single : C 13 TYR OH : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ -166:sc= -0.0081 (180deg=-0.174) USER MOD Single : C 20 TYR OH : rot 10:sc= -1.99! USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 30 LYS NZ :NH3+ 172:sc= -0.0081 (180deg=-0.115) USER MOD Single : C 31 TYR OH : rot 180:sc= -0.0494 USER MOD Single : C 33 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.29) USER MOD Single : C 36 SER OG : rot -104:sc= 0.785 USER MOD Single : C 38 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.8!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN : amide:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl -172:sc= -1.29 (180deg=-1.65) USER MOD Single : C 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 59 LYS NZ :NH3+ -177:sc= 0.417 (180deg=0.368) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 160:sc= -1.58! USER MOD Single : C 70 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.011) USER MOD Single : C 71 TYR OH : rot 30:sc= 0 USER MOD Single : C 76 TYR OH : rot 180:sc= -0.735 USER MOD Single : C 77 MET CE :methyl 163:sc= -2.63! (180deg=-3.36!) USER MOD Single : C 78 SER OG : rot 180:sc= 0.0511 USER MOD Single : C 79 LYS NZ :NH3+ -151:sc= 1.24 (180deg=1.13) USER MOD Single : C 80 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : C 85 ASN :FLIP amide:sc=-0.00512 F(o=-1.3,f=-0.0051) USER MOD Single : C 86 TYR OH : rot -103:sc= 0.334 USER MOD Single : C 87 THR OG1 : rot -23:sc= -1.63! USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 4.256 8.654 -2.725 1.00 0.00 N ATOM 168 CA LEU C 12 4.512 7.667 -1.691 1.00 0.00 C ATOM 169 C LEU C 12 3.274 7.468 -0.824 1.00 0.00 C ATOM 170 O LEU C 12 2.409 8.343 -0.741 1.00 0.00 O ATOM 171 CB LEU C 12 5.741 8.063 -0.872 1.00 0.00 C ATOM 172 CG LEU C 12 7.023 8.228 -1.703 1.00 0.00 C ATOM 173 CD1 LEU C 12 8.229 8.449 -0.810 1.00 0.00 C ATOM 174 CD2 LEU C 12 7.249 7.017 -2.598 1.00 0.00 C ATOM 0 HA LEU C 12 4.731 6.707 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU C 12 5.533 9.000 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU C 12 5.912 7.307 -0.106 1.00 0.00 H new ATOM 0 HG LEU C 12 6.896 9.108 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU C 12 9.121 8.562 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU C 12 8.081 9.351 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU C 12 8.352 7.593 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU C 12 8.162 7.157 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU C 12 7.343 6.122 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU C 12 6.404 6.903 -3.277 1.00 0.00 H new ATOM 186 N TYR C 13 3.202 6.318 -0.177 1.00 0.00 N ATOM 187 CA TYR C 13 1.927 5.785 0.281 1.00 0.00 C ATOM 188 C TYR C 13 1.793 5.779 1.795 1.00 0.00 C ATOM 189 O TYR C 13 2.630 6.343 2.502 1.00 0.00 O ATOM 190 CB TYR C 13 1.776 4.379 -0.265 1.00 0.00 C ATOM 191 CG TYR C 13 1.892 4.308 -1.772 1.00 0.00 C ATOM 192 CD1 TYR C 13 3.005 3.733 -2.372 1.00 0.00 C ATOM 193 CD2 TYR C 13 0.896 4.823 -2.594 1.00 0.00 C ATOM 194 CE1 TYR C 13 3.123 3.671 -3.747 1.00 0.00 C ATOM 195 CE2 TYR C 13 1.006 4.762 -3.971 1.00 0.00 C ATOM 196 CZ TYR C 13 2.121 4.186 -4.541 1.00 0.00 C ATOM 197 OH TYR C 13 2.234 4.125 -5.911 1.00 0.00 O ATOM 0 H TYR C 13 4.009 5.735 0.044 1.00 0.00 H new ATOM 0 HA TYR C 13 1.135 6.436 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR C 13 2.537 3.739 0.182 1.00 0.00 H new ATOM 0 HB3 TYR C 13 0.807 3.981 0.037 1.00 0.00 H new ATOM 0 HD1 TYR C 13 3.792 3.327 -1.753 1.00 0.00 H new ATOM 0 HD2 TYR C 13 0.023 5.278 -2.150 1.00 0.00 H new ATOM 0 HE1 TYR C 13 3.996 3.221 -4.197 1.00 0.00 H new ATOM 0 HE2 TYR C 13 0.222 5.164 -4.597 1.00 0.00 H new ATOM 0 HH TYR C 13 1.443 4.531 -6.323 1.00 0.00 H new ATOM 207 N LYS C 14 0.742 5.116 2.297 1.00 0.00 N ATOM 208 CA LYS C 14 0.411 5.196 3.695 1.00 0.00 C ATOM 209 C LYS C 14 -0.381 3.977 4.115 1.00 0.00 C ATOM 210 O LYS C 14 -0.974 3.288 3.282 1.00 0.00 O ATOM 211 CB LYS C 14 -0.372 6.475 3.995 1.00 0.00 C ATOM 212 CG LYS C 14 -1.527 6.737 3.046 1.00 0.00 C ATOM 213 CD LYS C 14 -2.255 8.018 3.416 1.00 0.00 C ATOM 214 CE LYS C 14 -3.310 8.385 2.388 1.00 0.00 C ATOM 215 NZ LYS C 14 -2.715 8.757 1.077 1.00 0.00 N ATOM 0 H LYS C 14 0.120 4.526 1.745 1.00 0.00 H new ATOM 0 HA LYS C 14 1.338 5.225 4.268 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -0.758 6.420 5.013 1.00 0.00 H new ATOM 0 HB3 LYS C 14 0.312 7.323 3.959 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -1.154 6.808 2.024 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -2.223 5.898 3.073 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -2.725 7.900 4.392 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -1.536 8.832 3.505 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -3.989 7.543 2.251 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -3.906 9.217 2.763 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -3.435 9.221 0.488 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -1.919 9.409 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -2.373 7.901 0.595 1.00 0.00 H new ATOM 229 N ASP C 15 -0.386 3.730 5.406 1.00 0.00 N ATOM 230 CA ASP C 15 -0.995 2.530 5.961 1.00 0.00 C ATOM 231 C ASP C 15 -2.504 2.704 6.180 1.00 0.00 C ATOM 232 O ASP C 15 -3.193 3.316 5.365 1.00 0.00 O ATOM 233 CB ASP C 15 -0.275 2.109 7.258 1.00 0.00 C ATOM 234 CG ASP C 15 -0.593 2.963 8.476 1.00 0.00 C ATOM 235 OD1 ASP C 15 -1.211 4.039 8.329 1.00 0.00 O ATOM 236 OD2 ASP C 15 -0.241 2.533 9.591 1.00 0.00 O ATOM 0 H ASP C 15 0.029 4.349 6.103 1.00 0.00 H new ATOM 0 HA ASP C 15 -0.877 1.727 5.233 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -0.535 1.074 7.481 1.00 0.00 H new ATOM 0 HB3 ASP C 15 0.801 2.137 7.084 1.00 0.00 H new ATOM 241 N ALA C 16 -3.004 2.171 7.285 1.00 0.00 N ATOM 242 CA ALA C 16 -4.438 2.071 7.514 1.00 0.00 C ATOM 243 C ALA C 16 -5.028 3.393 7.996 1.00 0.00 C ATOM 244 O ALA C 16 -6.078 3.818 7.514 1.00 0.00 O ATOM 245 CB ALA C 16 -4.731 0.963 8.534 1.00 0.00 C ATOM 0 H ALA C 16 -2.432 1.798 8.043 1.00 0.00 H new ATOM 0 HA ALA C 16 -4.909 1.825 6.562 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -5.806 0.895 8.699 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -4.362 0.011 8.153 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -4.233 1.194 9.476 1.00 0.00 H new ATOM 251 N ASP C 17 -4.362 4.050 8.938 1.00 0.00 N ATOM 252 CA ASP C 17 -4.914 5.263 9.532 1.00 0.00 C ATOM 253 C ASP C 17 -4.276 6.501 8.929 1.00 0.00 C ATOM 254 O ASP C 17 -4.777 7.612 9.102 1.00 0.00 O ATOM 255 CB ASP C 17 -4.742 5.267 11.055 1.00 0.00 C ATOM 256 CG ASP C 17 -3.298 5.392 11.492 1.00 0.00 C ATOM 257 OD1 ASP C 17 -2.875 6.512 11.849 1.00 0.00 O ATOM 258 OD2 ASP C 17 -2.590 4.367 11.500 1.00 0.00 O ATOM 0 H ASP C 17 -3.452 3.769 9.303 1.00 0.00 H new ATOM 0 HA ASP C 17 -5.981 5.278 9.310 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.315 6.093 11.477 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -5.160 4.347 11.464 1.00 0.00 H new ATOM 263 N GLY C 18 -3.173 6.313 8.223 1.00 0.00 N ATOM 264 CA GLY C 18 -2.553 7.426 7.542 1.00 0.00 C ATOM 265 C GLY C 18 -1.099 7.610 7.910 1.00 0.00 C ATOM 266 O GLY C 18 -0.572 8.719 7.838 1.00 0.00 O ATOM 0 H GLY C 18 -2.700 5.417 8.110 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -2.633 7.276 6.465 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -3.100 8.339 7.778 1.00 0.00 H new ATOM 270 N VAL C 19 -0.451 6.530 8.307 1.00 0.00 N ATOM 271 CA VAL C 19 0.972 6.562 8.589 1.00 0.00 C ATOM 272 C VAL C 19 1.752 6.553 7.286 1.00 0.00 C ATOM 273 O VAL C 19 1.559 5.677 6.443 1.00 0.00 O ATOM 274 CB VAL C 19 1.403 5.366 9.459 1.00 0.00 C ATOM 275 CG1 VAL C 19 2.925 5.255 9.503 1.00 0.00 C ATOM 276 CG2 VAL C 19 0.840 5.513 10.864 1.00 0.00 C ATOM 0 H VAL C 19 -0.889 5.619 8.442 1.00 0.00 H new ATOM 0 HA VAL C 19 1.185 7.476 9.143 1.00 0.00 H new ATOM 0 HB VAL C 19 1.007 4.452 9.016 1.00 0.00 H new ATOM 0 HG11 VAL C 19 3.210 4.404 10.122 1.00 0.00 H new ATOM 0 HG12 VAL C 19 3.309 5.113 8.493 1.00 0.00 H new ATOM 0 HG13 VAL C 19 3.344 6.168 9.926 1.00 0.00 H new ATOM 0 HG21 VAL C 19 1.150 4.663 11.471 1.00 0.00 H new ATOM 0 HG22 VAL C 19 1.214 6.434 11.311 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -0.248 5.548 10.818 1.00 0.00 H new ATOM 286 N TYR C 20 2.622 7.533 7.129 1.00 0.00 N ATOM 287 CA TYR C 20 3.391 7.692 5.916 1.00 0.00 C ATOM 288 C TYR C 20 4.478 6.645 5.829 1.00 0.00 C ATOM 289 O TYR C 20 5.091 6.257 6.826 1.00 0.00 O ATOM 290 CB TYR C 20 3.991 9.091 5.871 1.00 0.00 C ATOM 291 CG TYR C 20 4.847 9.399 4.664 1.00 0.00 C ATOM 292 CD1 TYR C 20 6.221 9.561 4.793 1.00 0.00 C ATOM 293 CD2 TYR C 20 4.282 9.559 3.407 1.00 0.00 C ATOM 294 CE1 TYR C 20 7.005 9.876 3.703 1.00 0.00 C ATOM 295 CE2 TYR C 20 5.061 9.866 2.311 1.00 0.00 C ATOM 296 CZ TYR C 20 6.422 10.027 2.465 1.00 0.00 C ATOM 297 OH TYR C 20 7.200 10.351 1.379 1.00 0.00 O ATOM 0 H TYR C 20 2.813 8.239 7.840 1.00 0.00 H new ATOM 0 HA TYR C 20 2.730 7.560 5.060 1.00 0.00 H new ATOM 0 HB2 TYR C 20 3.178 9.816 5.912 1.00 0.00 H new ATOM 0 HB3 TYR C 20 4.594 9.237 6.768 1.00 0.00 H new ATOM 0 HD1 TYR C 20 6.682 9.438 5.762 1.00 0.00 H new ATOM 0 HD2 TYR C 20 3.215 9.441 3.285 1.00 0.00 H new ATOM 0 HE1 TYR C 20 8.071 10.004 3.820 1.00 0.00 H new ATOM 0 HE2 TYR C 20 4.608 9.980 1.337 1.00 0.00 H new ATOM 0 HH TYR C 20 8.147 10.281 1.622 1.00 0.00 H new ATOM 307 N VAL C 21 4.691 6.191 4.624 1.00 0.00 N ATOM 308 CA VAL C 21 5.690 5.171 4.339 1.00 0.00 C ATOM 309 C VAL C 21 6.426 5.515 3.048 1.00 0.00 C ATOM 310 O VAL C 21 5.829 5.989 2.075 1.00 0.00 O ATOM 311 CB VAL C 21 5.083 3.728 4.253 1.00 0.00 C ATOM 312 CG1 VAL C 21 3.719 3.631 4.931 1.00 0.00 C ATOM 313 CG2 VAL C 21 4.988 3.236 2.818 1.00 0.00 C ATOM 0 H VAL C 21 4.180 6.513 3.802 1.00 0.00 H new ATOM 0 HA VAL C 21 6.390 5.164 5.175 1.00 0.00 H new ATOM 0 HB VAL C 21 5.774 3.081 4.793 1.00 0.00 H new ATOM 0 HG11 VAL C 21 3.341 2.612 4.844 1.00 0.00 H new ATOM 0 HG12 VAL C 21 3.817 3.893 5.984 1.00 0.00 H new ATOM 0 HG13 VAL C 21 3.024 4.318 4.449 1.00 0.00 H new ATOM 0 HG21 VAL C 21 4.562 2.233 2.805 1.00 0.00 H new ATOM 0 HG22 VAL C 21 4.350 3.908 2.244 1.00 0.00 H new ATOM 0 HG23 VAL C 21 5.983 3.214 2.374 1.00 0.00 H new ATOM 323 N SER C 22 7.727 5.305 3.064 1.00 0.00 N ATOM 324 CA SER C 22 8.553 5.540 1.899 1.00 0.00 C ATOM 325 C SER C 22 8.602 4.273 1.056 1.00 0.00 C ATOM 326 O SER C 22 8.776 3.179 1.591 1.00 0.00 O ATOM 327 CB SER C 22 9.961 5.943 2.337 1.00 0.00 C ATOM 328 OG SER C 22 9.913 6.947 3.339 1.00 0.00 O ATOM 0 H SER C 22 8.238 4.969 3.880 1.00 0.00 H new ATOM 0 HA SER C 22 8.130 6.349 1.304 1.00 0.00 H new ATOM 0 HB2 SER C 22 10.492 5.070 2.717 1.00 0.00 H new ATOM 0 HB3 SER C 22 10.523 6.308 1.477 1.00 0.00 H new ATOM 0 HG SER C 22 10.825 7.188 3.605 1.00 0.00 H new ATOM 334 N ALA C 23 8.443 4.416 -0.250 1.00 0.00 N ATOM 335 CA ALA C 23 8.443 3.272 -1.138 1.00 0.00 C ATOM 336 C ALA C 23 9.734 3.221 -1.931 1.00 0.00 C ATOM 337 O ALA C 23 10.087 4.164 -2.638 1.00 0.00 O ATOM 338 CB ALA C 23 7.241 3.300 -2.070 1.00 0.00 C ATOM 0 H ALA C 23 8.313 5.314 -0.716 1.00 0.00 H new ATOM 0 HA ALA C 23 8.371 2.370 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA C 23 7.268 2.429 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA C 23 6.324 3.283 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA C 23 7.269 4.208 -2.673 1.00 0.00 H new ATOM 344 N LEU C 24 10.435 2.121 -1.780 1.00 0.00 N ATOM 345 CA LEU C 24 11.707 1.906 -2.443 1.00 0.00 C ATOM 346 C LEU C 24 11.531 0.877 -3.560 1.00 0.00 C ATOM 347 O LEU C 24 11.527 -0.328 -3.303 1.00 0.00 O ATOM 348 CB LEU C 24 12.763 1.397 -1.440 1.00 0.00 C ATOM 349 CG LEU C 24 12.997 2.245 -0.173 1.00 0.00 C ATOM 350 CD1 LEU C 24 11.861 2.084 0.829 1.00 0.00 C ATOM 351 CD2 LEU C 24 14.315 1.866 0.482 1.00 0.00 C ATOM 0 H LEU C 24 10.139 1.343 -1.190 1.00 0.00 H new ATOM 0 HA LEU C 24 12.048 2.853 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU C 24 12.475 0.393 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU C 24 13.713 1.307 -1.966 1.00 0.00 H new ATOM 0 HG LEU C 24 13.032 3.290 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU C 24 12.062 2.696 1.708 1.00 0.00 H new ATOM 0 HD12 LEU C 24 10.924 2.402 0.371 1.00 0.00 H new ATOM 0 HD13 LEU C 24 11.783 1.038 1.126 1.00 0.00 H new ATOM 0 HD21 LEU C 24 14.466 2.473 1.375 1.00 0.00 H new ATOM 0 HD22 LEU C 24 14.294 0.812 0.759 1.00 0.00 H new ATOM 0 HD23 LEU C 24 15.132 2.041 -0.218 1.00 0.00 H new ATOM 363 N PRO C 25 11.357 1.329 -4.813 1.00 0.00 N ATOM 364 CA PRO C 25 11.190 0.431 -5.960 1.00 0.00 C ATOM 365 C PRO C 25 12.473 -0.324 -6.279 1.00 0.00 C ATOM 366 O PRO C 25 13.501 0.282 -6.596 1.00 0.00 O ATOM 367 CB PRO C 25 10.812 1.374 -7.113 1.00 0.00 C ATOM 368 CG PRO C 25 10.434 2.658 -6.456 1.00 0.00 C ATOM 369 CD PRO C 25 11.283 2.738 -5.221 1.00 0.00 C ATOM 0 HA PRO C 25 10.441 -0.339 -5.773 1.00 0.00 H new ATOM 0 HB2 PRO C 25 11.648 1.513 -7.799 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.984 0.971 -7.697 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.619 3.506 -7.115 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.373 2.674 -6.205 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.268 3.155 -5.429 1.00 0.00 H new ATOM 0 HD3 PRO C 25 10.828 3.363 -4.452 1.00 0.00 H new ATOM 377 N ILE C 26 12.412 -1.646 -6.193 1.00 0.00 N ATOM 378 CA ILE C 26 13.587 -2.477 -6.398 1.00 0.00 C ATOM 379 C ILE C 26 13.833 -2.698 -7.886 1.00 0.00 C ATOM 380 O ILE C 26 13.168 -3.517 -8.525 1.00 0.00 O ATOM 381 CB ILE C 26 13.446 -3.845 -5.693 1.00 0.00 C ATOM 382 CG1 ILE C 26 13.000 -3.649 -4.237 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.769 -4.601 -5.757 1.00 0.00 C ATOM 384 CD1 ILE C 26 12.746 -4.942 -3.484 1.00 0.00 C ATOM 0 H ILE C 26 11.560 -2.165 -5.982 1.00 0.00 H new ATOM 0 HA ILE C 26 14.436 -1.950 -5.962 1.00 0.00 H new ATOM 0 HB ILE C 26 12.685 -4.434 -6.206 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.764 -3.078 -3.709 1.00 0.00 H new ATOM 0 HG13 ILE C 26 12.089 -3.050 -4.225 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.662 -5.564 -5.258 1.00 0.00 H new ATOM 0 HG22 ILE C 26 15.047 -4.761 -6.799 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.545 -4.019 -5.260 1.00 0.00 H new ATOM 0 HD11 ILE C 26 12.435 -4.714 -2.464 1.00 0.00 H new ATOM 0 HD12 ILE C 26 11.960 -5.507 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE C 26 13.660 -5.535 -3.461 1.00 0.00 H new ATOM 396 N LYS C 27 14.781 -1.945 -8.426 1.00 0.00 N ATOM 397 CA LYS C 27 15.157 -2.044 -9.830 1.00 0.00 C ATOM 398 C LYS C 27 15.851 -3.375 -10.097 1.00 0.00 C ATOM 399 O LYS C 27 15.445 -4.132 -10.978 1.00 0.00 O ATOM 400 CB LYS C 27 16.080 -0.868 -10.196 1.00 0.00 C ATOM 401 CG LYS C 27 16.768 -0.978 -11.555 1.00 0.00 C ATOM 402 CD LYS C 27 15.881 -0.510 -12.701 1.00 0.00 C ATOM 403 CE LYS C 27 14.942 -1.602 -13.186 1.00 0.00 C ATOM 404 NZ LYS C 27 14.031 -1.106 -14.249 1.00 0.00 N ATOM 0 H LYS C 27 15.311 -1.248 -7.903 1.00 0.00 H new ATOM 0 HA LYS C 27 14.261 -1.998 -10.449 1.00 0.00 H new ATOM 0 HB2 LYS C 27 15.495 0.051 -10.177 1.00 0.00 H new ATOM 0 HB3 LYS C 27 16.846 -0.775 -9.426 1.00 0.00 H new ATOM 0 HG2 LYS C 27 17.683 -0.386 -11.544 1.00 0.00 H new ATOM 0 HG3 LYS C 27 17.061 -2.014 -11.727 1.00 0.00 H new ATOM 0 HD2 LYS C 27 15.297 0.351 -12.377 1.00 0.00 H new ATOM 0 HD3 LYS C 27 16.507 -0.177 -13.529 1.00 0.00 H new ATOM 0 HE2 LYS C 27 15.524 -2.441 -13.567 1.00 0.00 H new ATOM 0 HE3 LYS C 27 14.354 -1.976 -12.348 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 13.404 -1.877 -14.557 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 13.458 -0.322 -13.877 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 14.592 -0.772 -15.059 1.00 0.00 H new ATOM 418 N ALA C 28 16.879 -3.657 -9.311 1.00 0.00 N ATOM 419 CA ALA C 28 17.658 -4.878 -9.456 1.00 0.00 C ATOM 420 C ALA C 28 18.506 -5.098 -8.210 1.00 0.00 C ATOM 421 O ALA C 28 18.646 -4.198 -7.388 1.00 0.00 O ATOM 422 CB ALA C 28 18.538 -4.806 -10.698 1.00 0.00 C ATOM 0 H ALA C 28 17.196 -3.048 -8.557 1.00 0.00 H new ATOM 0 HA ALA C 28 16.977 -5.721 -9.573 1.00 0.00 H new ATOM 0 HB1 ALA C 28 19.113 -5.727 -10.790 1.00 0.00 H new ATOM 0 HB2 ALA C 28 17.912 -4.679 -11.581 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.220 -3.960 -10.612 1.00 0.00 H new ATOM 428 N ILE C 29 19.059 -6.291 -8.061 1.00 0.00 N ATOM 429 CA ILE C 29 19.915 -6.592 -6.923 1.00 0.00 C ATOM 430 C ILE C 29 21.219 -7.207 -7.397 1.00 0.00 C ATOM 431 O ILE C 29 21.256 -7.914 -8.402 1.00 0.00 O ATOM 432 CB ILE C 29 19.216 -7.549 -5.912 1.00 0.00 C ATOM 433 CG1 ILE C 29 17.997 -6.877 -5.275 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.182 -7.999 -4.819 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.029 -7.855 -4.644 1.00 0.00 C ATOM 0 H ILE C 29 18.931 -7.066 -8.712 1.00 0.00 H new ATOM 0 HA ILE C 29 20.120 -5.653 -6.409 1.00 0.00 H new ATOM 0 HB ILE C 29 18.886 -8.425 -6.470 1.00 0.00 H new ATOM 0 HG12 ILE C 29 18.336 -6.172 -4.516 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.472 -6.298 -6.035 1.00 0.00 H new ATOM 0 HG21 ILE C 29 19.665 -8.666 -4.129 1.00 0.00 H new ATOM 0 HG22 ILE C 29 21.023 -8.525 -5.271 1.00 0.00 H new ATOM 0 HG23 ILE C 29 20.548 -7.128 -4.276 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.190 -7.309 -4.212 1.00 0.00 H new ATOM 0 HD12 ILE C 29 16.661 -8.544 -5.404 1.00 0.00 H new ATOM 0 HD13 ILE C 29 17.538 -8.417 -3.861 1.00 0.00 H new ATOM 447 N LYS C 30 22.284 -6.912 -6.679 1.00 0.00 N ATOM 448 CA LYS C 30 23.598 -7.429 -7.007 1.00 0.00 C ATOM 449 C LYS C 30 24.228 -8.031 -5.758 1.00 0.00 C ATOM 450 O LYS C 30 24.492 -7.330 -4.779 1.00 0.00 O ATOM 451 CB LYS C 30 24.485 -6.318 -7.591 1.00 0.00 C ATOM 452 CG LYS C 30 25.719 -6.823 -8.334 1.00 0.00 C ATOM 453 CD LYS C 30 26.796 -7.343 -7.393 1.00 0.00 C ATOM 454 CE LYS C 30 27.962 -7.949 -8.156 1.00 0.00 C ATOM 455 NZ LYS C 30 28.620 -6.963 -9.053 1.00 0.00 N ATOM 0 H LYS C 30 22.264 -6.310 -5.856 1.00 0.00 H new ATOM 0 HA LYS C 30 23.502 -8.207 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS C 30 23.887 -5.713 -8.273 1.00 0.00 H new ATOM 0 HB3 LYS C 30 24.806 -5.663 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS C 30 25.426 -7.618 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS C 30 26.130 -6.015 -8.940 1.00 0.00 H new ATOM 0 HD2 LYS C 30 27.156 -6.528 -6.765 1.00 0.00 H new ATOM 0 HD3 LYS C 30 26.367 -8.092 -6.728 1.00 0.00 H new ATOM 0 HE2 LYS C 30 28.694 -8.339 -7.448 1.00 0.00 H new ATOM 0 HE3 LYS C 30 27.608 -8.794 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 29.487 -7.378 -9.449 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 27.972 -6.711 -9.827 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 28.861 -6.108 -8.512 1.00 0.00 H new ATOM 469 N TYR C 31 24.450 -9.329 -5.801 1.00 0.00 N ATOM 470 CA TYR C 31 25.031 -10.049 -4.687 1.00 0.00 C ATOM 471 C TYR C 31 26.545 -9.974 -4.738 1.00 0.00 C ATOM 472 O TYR C 31 27.177 -10.433 -5.691 1.00 0.00 O ATOM 473 CB TYR C 31 24.569 -11.507 -4.689 1.00 0.00 C ATOM 474 CG TYR C 31 23.095 -11.673 -4.389 1.00 0.00 C ATOM 475 CD1 TYR C 31 22.155 -11.712 -5.410 1.00 0.00 C ATOM 476 CD2 TYR C 31 22.646 -11.787 -3.081 1.00 0.00 C ATOM 477 CE1 TYR C 31 20.809 -11.859 -5.136 1.00 0.00 C ATOM 478 CE2 TYR C 31 21.302 -11.936 -2.798 1.00 0.00 C ATOM 479 CZ TYR C 31 20.389 -11.971 -3.828 1.00 0.00 C ATOM 480 OH TYR C 31 19.050 -12.120 -3.550 1.00 0.00 O ATOM 0 H TYR C 31 24.233 -9.914 -6.608 1.00 0.00 H new ATOM 0 HA TYR C 31 24.692 -9.582 -3.763 1.00 0.00 H new ATOM 0 HB2 TYR C 31 24.785 -11.947 -5.662 1.00 0.00 H new ATOM 0 HB3 TYR C 31 25.147 -12.064 -3.952 1.00 0.00 H new ATOM 0 HD1 TYR C 31 22.482 -11.626 -6.436 1.00 0.00 H new ATOM 0 HD2 TYR C 31 23.359 -11.759 -2.271 1.00 0.00 H new ATOM 0 HE1 TYR C 31 20.090 -11.886 -5.942 1.00 0.00 H new ATOM 0 HE2 TYR C 31 20.969 -12.025 -1.774 1.00 0.00 H new ATOM 0 HH TYR C 31 18.923 -12.186 -2.581 1.00 0.00 H new ATOM 490 N ALA C 32 27.115 -9.367 -3.719 1.00 0.00 N ATOM 491 CA ALA C 32 28.540 -9.252 -3.594 1.00 0.00 C ATOM 492 C ALA C 32 29.085 -10.502 -2.936 1.00 0.00 C ATOM 493 O ALA C 32 28.434 -11.111 -2.089 1.00 0.00 O ATOM 494 CB ALA C 32 28.896 -8.013 -2.789 1.00 0.00 C ATOM 0 H ALA C 32 26.594 -8.939 -2.953 1.00 0.00 H new ATOM 0 HA ALA C 32 28.989 -9.150 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA C 32 29.980 -7.936 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA C 32 28.509 -7.128 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA C 32 28.455 -8.086 -1.795 1.00 0.00 H new ATOM 500 N ASN C 33 30.281 -10.865 -3.341 1.00 0.00 N ATOM 501 CA ASN C 33 30.919 -12.107 -2.945 1.00 0.00 C ATOM 502 C ASN C 33 31.124 -12.214 -1.436 1.00 0.00 C ATOM 503 O ASN C 33 31.346 -13.306 -0.916 1.00 0.00 O ATOM 504 CB ASN C 33 32.261 -12.235 -3.663 1.00 0.00 C ATOM 505 CG ASN C 33 33.184 -11.053 -3.417 1.00 0.00 C ATOM 506 OD1 ASN C 33 33.199 -10.092 -4.186 1.00 0.00 O ATOM 507 ND2 ASN C 33 33.959 -11.113 -2.348 1.00 0.00 N ATOM 0 H ASN C 33 30.851 -10.296 -3.967 1.00 0.00 H new ATOM 0 HA ASN C 33 30.253 -12.922 -3.230 1.00 0.00 H new ATOM 0 HB2 ASN C 33 32.756 -13.149 -3.335 1.00 0.00 H new ATOM 0 HB3 ASN C 33 32.085 -12.334 -4.734 1.00 0.00 H new ATOM 0 HD21 ASN C 33 34.598 -10.346 -2.137 1.00 0.00 H new ATOM 0 HD22 ASN C 33 33.919 -11.926 -1.734 1.00 0.00 H new ATOM 514 N ASP C 34 31.053 -11.089 -0.737 1.00 0.00 N ATOM 515 CA ASP C 34 31.204 -11.088 0.714 1.00 0.00 C ATOM 516 C ASP C 34 29.884 -11.443 1.389 1.00 0.00 C ATOM 517 O ASP C 34 29.843 -11.733 2.584 1.00 0.00 O ATOM 518 CB ASP C 34 31.685 -9.725 1.212 1.00 0.00 C ATOM 519 CG ASP C 34 30.654 -8.639 1.005 1.00 0.00 C ATOM 520 OD1 ASP C 34 29.814 -8.426 1.906 1.00 0.00 O ATOM 521 OD2 ASP C 34 30.677 -7.989 -0.057 1.00 0.00 O ATOM 0 H ASP C 34 30.893 -10.169 -1.148 1.00 0.00 H new ATOM 0 HA ASP C 34 31.951 -11.839 0.972 1.00 0.00 H new ATOM 0 HB2 ASP C 34 31.928 -9.794 2.272 1.00 0.00 H new ATOM 0 HB3 ASP C 34 32.603 -9.454 0.691 1.00 0.00 H new ATOM 526 N GLY C 35 28.803 -11.412 0.621 1.00 0.00 N ATOM 527 CA GLY C 35 27.508 -11.779 1.148 1.00 0.00 C ATOM 528 C GLY C 35 26.507 -10.646 1.083 1.00 0.00 C ATOM 529 O GLY C 35 25.317 -10.876 0.860 1.00 0.00 O ATOM 0 H GLY C 35 28.803 -11.138 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY C 35 27.122 -12.632 0.590 1.00 0.00 H new ATOM 0 HA3 GLY C 35 27.620 -12.100 2.184 1.00 0.00 H new ATOM 533 N SER C 36 26.985 -9.423 1.280 1.00 0.00 N ATOM 534 CA SER C 36 26.111 -8.257 1.289 1.00 0.00 C ATOM 535 C SER C 36 25.431 -8.070 -0.064 1.00 0.00 C ATOM 536 O SER C 36 26.035 -8.285 -1.121 1.00 0.00 O ATOM 537 CB SER C 36 26.905 -7.004 1.659 1.00 0.00 C ATOM 538 OG SER C 36 27.988 -6.798 0.766 1.00 0.00 O ATOM 0 H SER C 36 27.971 -9.214 1.435 1.00 0.00 H new ATOM 0 HA SER C 36 25.336 -8.420 2.038 1.00 0.00 H new ATOM 0 HB2 SER C 36 26.247 -6.135 1.642 1.00 0.00 H new ATOM 0 HB3 SER C 36 27.283 -7.098 2.677 1.00 0.00 H new ATOM 0 HG SER C 36 28.826 -7.061 1.201 1.00 0.00 H new ATOM 544 N ALA C 37 24.168 -7.682 -0.028 1.00 0.00 N ATOM 545 CA ALA C 37 23.412 -7.476 -1.246 1.00 0.00 C ATOM 546 C ALA C 37 23.250 -5.996 -1.537 1.00 0.00 C ATOM 547 O ALA C 37 22.759 -5.239 -0.699 1.00 0.00 O ATOM 548 CB ALA C 37 22.054 -8.152 -1.157 1.00 0.00 C ATOM 0 H ALA C 37 23.647 -7.504 0.831 1.00 0.00 H new ATOM 0 HA ALA C 37 23.968 -7.927 -2.068 1.00 0.00 H new ATOM 0 HB1 ALA C 37 21.503 -7.985 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA C 37 22.190 -9.223 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA C 37 21.494 -7.734 -0.320 1.00 0.00 H new ATOM 554 N ASN C 38 23.682 -5.586 -2.718 1.00 0.00 N ATOM 555 CA ASN C 38 23.499 -4.215 -3.165 1.00 0.00 C ATOM 556 C ASN C 38 22.195 -4.112 -3.933 1.00 0.00 C ATOM 557 O ASN C 38 22.040 -4.731 -4.985 1.00 0.00 O ATOM 558 CB ASN C 38 24.654 -3.754 -4.058 1.00 0.00 C ATOM 559 CG ASN C 38 25.972 -3.629 -3.323 1.00 0.00 C ATOM 560 OD1 ASN C 38 26.298 -2.566 -2.802 1.00 0.00 O ATOM 561 ND2 ASN C 38 26.742 -4.707 -3.281 1.00 0.00 N ATOM 0 H ASN C 38 24.164 -6.186 -3.387 1.00 0.00 H new ATOM 0 HA ASN C 38 23.476 -3.570 -2.287 1.00 0.00 H new ATOM 0 HB2 ASN C 38 24.771 -4.460 -4.880 1.00 0.00 H new ATOM 0 HB3 ASN C 38 24.400 -2.790 -4.499 1.00 0.00 H new ATOM 0 HD21 ASN C 38 27.642 -4.672 -2.803 1.00 0.00 H new ATOM 0 HD22 ASN C 38 26.434 -5.571 -3.727 1.00 0.00 H new ATOM 568 N ALA C 39 21.250 -3.363 -3.401 1.00 0.00 N ATOM 569 CA ALA C 39 19.952 -3.242 -4.034 1.00 0.00 C ATOM 570 C ALA C 39 19.844 -1.960 -4.839 1.00 0.00 C ATOM 571 O ALA C 39 19.827 -0.863 -4.286 1.00 0.00 O ATOM 572 CB ALA C 39 18.840 -3.327 -3.002 1.00 0.00 C ATOM 0 H ALA C 39 21.355 -2.832 -2.537 1.00 0.00 H new ATOM 0 HA ALA C 39 19.842 -4.076 -4.727 1.00 0.00 H new ATOM 0 HB1 ALA C 39 17.874 -3.234 -3.499 1.00 0.00 H new ATOM 0 HB2 ALA C 39 18.893 -4.287 -2.489 1.00 0.00 H new ATOM 0 HB3 ALA C 39 18.954 -2.521 -2.277 1.00 0.00 H new ATOM 578 N GLU C 40 19.785 -2.114 -6.152 1.00 0.00 N ATOM 579 CA GLU C 40 19.612 -0.989 -7.052 1.00 0.00 C ATOM 580 C GLU C 40 18.172 -0.490 -6.974 1.00 0.00 C ATOM 581 O GLU C 40 17.268 -1.125 -7.511 1.00 0.00 O ATOM 582 CB GLU C 40 19.950 -1.399 -8.487 1.00 0.00 C ATOM 583 CG GLU C 40 21.371 -1.914 -8.652 1.00 0.00 C ATOM 584 CD GLU C 40 21.745 -2.144 -10.100 1.00 0.00 C ATOM 585 OE1 GLU C 40 22.069 -1.154 -10.794 1.00 0.00 O ATOM 586 OE2 GLU C 40 21.743 -3.312 -10.549 1.00 0.00 O ATOM 0 H GLU C 40 19.855 -3.017 -6.620 1.00 0.00 H new ATOM 0 HA GLU C 40 20.288 -0.187 -6.754 1.00 0.00 H new ATOM 0 HB2 GLU C 40 19.252 -2.172 -8.810 1.00 0.00 H new ATOM 0 HB3 GLU C 40 19.804 -0.543 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU C 40 22.066 -1.199 -8.211 1.00 0.00 H new ATOM 0 HG3 GLU C 40 21.481 -2.847 -8.100 1.00 0.00 H new ATOM 593 N PHE C 41 17.948 0.613 -6.269 1.00 0.00 N ATOM 594 CA PHE C 41 16.616 1.188 -6.170 1.00 0.00 C ATOM 595 C PHE C 41 16.428 2.258 -7.230 1.00 0.00 C ATOM 596 O PHE C 41 17.396 2.861 -7.699 1.00 0.00 O ATOM 597 CB PHE C 41 16.377 1.794 -4.784 1.00 0.00 C ATOM 598 CG PHE C 41 16.435 0.798 -3.661 1.00 0.00 C ATOM 599 CD1 PHE C 41 17.446 0.860 -2.715 1.00 0.00 C ATOM 600 CD2 PHE C 41 15.478 -0.197 -3.549 1.00 0.00 C ATOM 601 CE1 PHE C 41 17.502 -0.052 -1.680 1.00 0.00 C ATOM 602 CE2 PHE C 41 15.528 -1.112 -2.515 1.00 0.00 C ATOM 603 CZ PHE C 41 16.542 -1.038 -1.579 1.00 0.00 C ATOM 0 H PHE C 41 18.670 1.124 -5.760 1.00 0.00 H new ATOM 0 HA PHE C 41 15.894 0.387 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE C 41 17.121 2.570 -4.606 1.00 0.00 H new ATOM 0 HB3 PHE C 41 15.401 2.279 -4.775 1.00 0.00 H new ATOM 0 HD1 PHE C 41 18.199 1.631 -2.788 1.00 0.00 H new ATOM 0 HD2 PHE C 41 14.684 -0.258 -4.278 1.00 0.00 H new ATOM 0 HE1 PHE C 41 18.296 0.006 -0.950 1.00 0.00 H new ATOM 0 HE2 PHE C 41 14.776 -1.884 -2.438 1.00 0.00 H new ATOM 0 HZ PHE C 41 16.583 -1.751 -0.769 1.00 0.00 H new ATOM 613 N ASP C 42 15.187 2.484 -7.618 1.00 0.00 N ATOM 614 CA ASP C 42 14.871 3.519 -8.586 1.00 0.00 C ATOM 615 C ASP C 42 13.940 4.539 -7.959 1.00 0.00 C ATOM 616 O ASP C 42 12.911 4.188 -7.393 1.00 0.00 O ATOM 617 CB ASP C 42 14.222 2.918 -9.830 1.00 0.00 C ATOM 618 CG ASP C 42 14.085 3.917 -10.962 1.00 0.00 C ATOM 619 OD1 ASP C 42 12.991 4.492 -11.128 1.00 0.00 O ATOM 620 OD2 ASP C 42 15.069 4.124 -11.703 1.00 0.00 O ATOM 0 H ASP C 42 14.379 1.964 -7.277 1.00 0.00 H new ATOM 0 HA ASP C 42 15.798 4.009 -8.885 1.00 0.00 H new ATOM 0 HB2 ASP C 42 14.816 2.070 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP C 42 13.236 2.533 -9.570 1.00 0.00 H new ATOM 625 N GLY C 43 14.316 5.794 -8.042 1.00 0.00 N ATOM 626 CA GLY C 43 13.514 6.846 -7.464 1.00 0.00 C ATOM 627 C GLY C 43 14.284 7.656 -6.445 1.00 0.00 C ATOM 628 O GLY C 43 15.395 8.104 -6.723 1.00 0.00 O ATOM 0 H GLY C 43 15.169 6.110 -8.503 1.00 0.00 H new ATOM 0 HA2 GLY C 43 13.157 7.505 -8.255 1.00 0.00 H new ATOM 0 HA3 GLY C 43 12.634 6.411 -6.990 1.00 0.00 H new ATOM 632 N PRO C 44 13.734 7.828 -5.233 1.00 0.00 N ATOM 633 CA PRO C 44 14.350 8.655 -4.194 1.00 0.00 C ATOM 634 C PRO C 44 15.485 7.935 -3.468 1.00 0.00 C ATOM 635 O PRO C 44 16.000 8.416 -2.457 1.00 0.00 O ATOM 636 CB PRO C 44 13.191 8.927 -3.238 1.00 0.00 C ATOM 637 CG PRO C 44 12.295 7.742 -3.371 1.00 0.00 C ATOM 638 CD PRO C 44 12.469 7.216 -4.775 1.00 0.00 C ATOM 0 HA PRO C 44 14.808 9.555 -4.605 1.00 0.00 H new ATOM 0 HB2 PRO C 44 13.544 9.042 -2.213 1.00 0.00 H new ATOM 0 HB3 PRO C 44 12.670 9.847 -3.501 1.00 0.00 H new ATOM 0 HG2 PRO C 44 12.554 6.978 -2.638 1.00 0.00 H new ATOM 0 HG3 PRO C 44 11.257 8.020 -3.189 1.00 0.00 H new ATOM 0 HD2 PRO C 44 12.524 6.127 -4.789 1.00 0.00 H new ATOM 0 HD3 PRO C 44 11.633 7.501 -5.414 1.00 0.00 H new ATOM 646 N TYR C 45 15.869 6.782 -3.993 1.00 0.00 N ATOM 647 CA TYR C 45 16.929 5.981 -3.405 1.00 0.00 C ATOM 648 C TYR C 45 17.876 5.485 -4.482 1.00 0.00 C ATOM 649 O TYR C 45 17.459 5.206 -5.606 1.00 0.00 O ATOM 650 CB TYR C 45 16.351 4.779 -2.658 1.00 0.00 C ATOM 651 CG TYR C 45 15.621 5.134 -1.384 1.00 0.00 C ATOM 652 CD1 TYR C 45 16.301 5.222 -0.176 1.00 0.00 C ATOM 653 CD2 TYR C 45 14.253 5.374 -1.385 1.00 0.00 C ATOM 654 CE1 TYR C 45 15.639 5.540 0.993 1.00 0.00 C ATOM 655 CE2 TYR C 45 13.585 5.695 -0.219 1.00 0.00 C ATOM 656 CZ TYR C 45 14.282 5.775 0.965 1.00 0.00 C ATOM 657 OH TYR C 45 13.619 6.088 2.128 1.00 0.00 O ATOM 0 H TYR C 45 15.457 6.378 -4.834 1.00 0.00 H new ATOM 0 HA TYR C 45 17.472 6.612 -2.702 1.00 0.00 H new ATOM 0 HB2 TYR C 45 15.666 4.249 -3.320 1.00 0.00 H new ATOM 0 HB3 TYR C 45 17.161 4.090 -2.419 1.00 0.00 H new ATOM 0 HD1 TYR C 45 17.365 5.039 -0.151 1.00 0.00 H new ATOM 0 HD2 TYR C 45 13.703 5.309 -2.312 1.00 0.00 H new ATOM 0 HE1 TYR C 45 16.182 5.604 1.924 1.00 0.00 H new ATOM 0 HE2 TYR C 45 12.521 5.882 -0.237 1.00 0.00 H new ATOM 0 HH TYR C 45 12.668 6.225 1.936 1.00 0.00 H new ATOM 667 N ALA C 46 19.149 5.396 -4.133 1.00 0.00 N ATOM 668 CA ALA C 46 20.149 4.813 -5.011 1.00 0.00 C ATOM 669 C ALA C 46 20.391 3.363 -4.614 1.00 0.00 C ATOM 670 O ALA C 46 19.587 2.779 -3.890 1.00 0.00 O ATOM 671 CB ALA C 46 21.441 5.617 -4.950 1.00 0.00 C ATOM 0 H ALA C 46 19.516 5.723 -3.239 1.00 0.00 H new ATOM 0 HA ALA C 46 19.787 4.839 -6.039 1.00 0.00 H new ATOM 0 HB1 ALA C 46 22.181 5.168 -5.613 1.00 0.00 H new ATOM 0 HB2 ALA C 46 21.247 6.642 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA C 46 21.822 5.617 -3.929 1.00 0.00 H new ATOM 677 N ASP C 47 21.476 2.771 -5.083 1.00 0.00 N ATOM 678 CA ASP C 47 21.813 1.411 -4.684 1.00 0.00 C ATOM 679 C ASP C 47 22.579 1.425 -3.373 1.00 0.00 C ATOM 680 O ASP C 47 23.351 2.347 -3.102 1.00 0.00 O ATOM 681 CB ASP C 47 22.621 0.689 -5.769 1.00 0.00 C ATOM 682 CG ASP C 47 24.027 1.234 -5.926 1.00 0.00 C ATOM 683 OD1 ASP C 47 24.977 0.593 -5.433 1.00 0.00 O ATOM 684 OD2 ASP C 47 24.188 2.300 -6.556 1.00 0.00 O ATOM 0 H ASP C 47 22.133 3.202 -5.733 1.00 0.00 H new ATOM 0 HA ASP C 47 20.882 0.862 -4.547 1.00 0.00 H new ATOM 0 HB2 ASP C 47 22.674 -0.373 -5.528 1.00 0.00 H new ATOM 0 HB3 ASP C 47 22.097 0.774 -6.721 1.00 0.00 H new ATOM 689 N GLN C 48 22.336 0.417 -2.551 1.00 0.00 N ATOM 690 CA GLN C 48 22.955 0.325 -1.241 1.00 0.00 C ATOM 691 C GLN C 48 23.152 -1.128 -0.846 1.00 0.00 C ATOM 692 O GLN C 48 22.301 -1.976 -1.126 1.00 0.00 O ATOM 693 CB GLN C 48 22.095 1.039 -0.196 1.00 0.00 C ATOM 694 CG GLN C 48 22.367 2.532 -0.089 1.00 0.00 C ATOM 695 CD GLN C 48 21.119 3.373 -0.263 1.00 0.00 C ATOM 696 OE1 GLN C 48 20.415 3.670 0.702 1.00 0.00 O ATOM 697 NE2 GLN C 48 20.841 3.772 -1.494 1.00 0.00 N ATOM 0 H GLN C 48 21.708 -0.356 -2.772 1.00 0.00 H new ATOM 0 HA GLN C 48 23.930 0.810 -1.287 1.00 0.00 H new ATOM 0 HB2 GLN C 48 21.044 0.888 -0.440 1.00 0.00 H new ATOM 0 HB3 GLN C 48 22.265 0.578 0.777 1.00 0.00 H new ATOM 0 HG2 GLN C 48 22.811 2.746 0.883 1.00 0.00 H new ATOM 0 HG3 GLN C 48 23.100 2.818 -0.844 1.00 0.00 H new ATOM 0 HE21 GLN C 48 21.450 3.504 -2.267 1.00 0.00 H new ATOM 0 HE22 GLN C 48 20.017 4.347 -1.670 1.00 0.00 H new ATOM 706 N TYR C 49 24.277 -1.409 -0.212 1.00 0.00 N ATOM 707 CA TYR C 49 24.577 -2.754 0.253 1.00 0.00 C ATOM 708 C TYR C 49 24.021 -2.967 1.653 1.00 0.00 C ATOM 709 O TYR C 49 24.084 -2.075 2.501 1.00 0.00 O ATOM 710 CB TYR C 49 26.088 -3.021 0.235 1.00 0.00 C ATOM 711 CG TYR C 49 26.938 -1.847 0.673 1.00 0.00 C ATOM 712 CD1 TYR C 49 27.169 -1.582 2.016 1.00 0.00 C ATOM 713 CD2 TYR C 49 27.513 -1.003 -0.269 1.00 0.00 C ATOM 714 CE1 TYR C 49 27.944 -0.507 2.408 1.00 0.00 C ATOM 715 CE2 TYR C 49 28.290 0.071 0.113 1.00 0.00 C ATOM 716 CZ TYR C 49 28.502 0.317 1.451 1.00 0.00 C ATOM 717 OH TYR C 49 29.270 1.395 1.833 1.00 0.00 O ATOM 0 H TYR C 49 25.001 -0.721 -0.006 1.00 0.00 H new ATOM 0 HA TYR C 49 24.100 -3.460 -0.427 1.00 0.00 H new ATOM 0 HB2 TYR C 49 26.302 -3.870 0.884 1.00 0.00 H new ATOM 0 HB3 TYR C 49 26.381 -3.309 -0.774 1.00 0.00 H new ATOM 0 HD1 TYR C 49 26.736 -2.226 2.767 1.00 0.00 H new ATOM 0 HD2 TYR C 49 27.349 -1.191 -1.320 1.00 0.00 H new ATOM 0 HE1 TYR C 49 28.112 -0.313 3.457 1.00 0.00 H new ATOM 0 HE2 TYR C 49 28.730 0.716 -0.634 1.00 0.00 H new ATOM 0 HH TYR C 49 29.587 1.870 1.036 1.00 0.00 H new ATOM 727 N MET C 50 23.462 -4.140 1.886 1.00 0.00 N ATOM 728 CA MET C 50 22.906 -4.476 3.186 1.00 0.00 C ATOM 729 C MET C 50 23.577 -5.734 3.724 1.00 0.00 C ATOM 730 O MET C 50 23.956 -6.616 2.951 1.00 0.00 O ATOM 731 CB MET C 50 21.392 -4.685 3.079 1.00 0.00 C ATOM 732 CG MET C 50 20.686 -4.742 4.423 1.00 0.00 C ATOM 733 SD MET C 50 20.874 -3.210 5.359 1.00 0.00 S ATOM 734 CE MET C 50 19.960 -3.602 6.847 1.00 0.00 C ATOM 0 H MET C 50 23.380 -4.880 1.189 1.00 0.00 H new ATOM 0 HA MET C 50 23.092 -3.652 3.875 1.00 0.00 H new ATOM 0 HB2 MET C 50 20.964 -3.876 2.488 1.00 0.00 H new ATOM 0 HB3 MET C 50 21.200 -5.612 2.538 1.00 0.00 H new ATOM 0 HG2 MET C 50 19.626 -4.942 4.266 1.00 0.00 H new ATOM 0 HG3 MET C 50 21.084 -5.573 5.006 1.00 0.00 H new ATOM 0 HE1 MET C 50 19.864 -2.707 7.462 1.00 0.00 H new ATOM 0 HE2 MET C 50 18.968 -3.966 6.579 1.00 0.00 H new ATOM 0 HE3 MET C 50 20.490 -4.372 7.407 1.00 0.00 H new ATOM 744 N SER C 51 23.728 -5.795 5.042 1.00 0.00 N ATOM 745 CA SER C 51 24.356 -6.925 5.715 1.00 0.00 C ATOM 746 C SER C 51 23.693 -8.248 5.330 1.00 0.00 C ATOM 747 O SER C 51 22.469 -8.362 5.296 1.00 0.00 O ATOM 748 CB SER C 51 24.280 -6.703 7.225 1.00 0.00 C ATOM 749 OG SER C 51 23.207 -5.831 7.551 1.00 0.00 O ATOM 0 H SER C 51 23.417 -5.059 5.676 1.00 0.00 H new ATOM 0 HA SER C 51 25.398 -6.988 5.402 1.00 0.00 H new ATOM 0 HB2 SER C 51 24.145 -7.659 7.732 1.00 0.00 H new ATOM 0 HB3 SER C 51 25.219 -6.282 7.583 1.00 0.00 H new ATOM 0 HG SER C 51 23.183 -5.690 8.520 1.00 0.00 H new ATOM 755 N ALA C 52 24.534 -9.243 5.053 1.00 0.00 N ATOM 756 CA ALA C 52 24.098 -10.527 4.512 1.00 0.00 C ATOM 757 C ALA C 52 23.190 -11.277 5.467 1.00 0.00 C ATOM 758 O ALA C 52 22.237 -11.920 5.040 1.00 0.00 O ATOM 759 CB ALA C 52 25.300 -11.386 4.162 1.00 0.00 C ATOM 0 H ALA C 52 25.542 -9.180 5.199 1.00 0.00 H new ATOM 0 HA ALA C 52 23.523 -10.315 3.611 1.00 0.00 H new ATOM 0 HB1 ALA C 52 24.960 -12.340 3.760 1.00 0.00 H new ATOM 0 HB2 ALA C 52 25.908 -10.874 3.417 1.00 0.00 H new ATOM 0 HB3 ALA C 52 25.895 -11.561 5.058 1.00 0.00 H new ATOM 765 N GLN C 53 23.491 -11.200 6.755 1.00 0.00 N ATOM 766 CA GLN C 53 22.647 -11.821 7.766 1.00 0.00 C ATOM 767 C GLN C 53 21.261 -11.196 7.729 1.00 0.00 C ATOM 768 O GLN C 53 20.241 -11.873 7.905 1.00 0.00 O ATOM 769 CB GLN C 53 23.272 -11.660 9.152 1.00 0.00 C ATOM 770 CG GLN C 53 24.595 -12.393 9.309 1.00 0.00 C ATOM 771 CD GLN C 53 25.267 -12.110 10.636 1.00 0.00 C ATOM 772 OE1 GLN C 53 26.065 -11.181 10.758 1.00 0.00 O ATOM 773 NE2 GLN C 53 24.944 -12.905 11.640 1.00 0.00 N ATOM 0 H GLN C 53 24.310 -10.716 7.124 1.00 0.00 H new ATOM 0 HA GLN C 53 22.560 -12.887 7.554 1.00 0.00 H new ATOM 0 HB2 GLN C 53 23.427 -10.600 9.351 1.00 0.00 H new ATOM 0 HB3 GLN C 53 22.571 -12.026 9.903 1.00 0.00 H new ATOM 0 HG2 GLN C 53 24.425 -13.465 9.214 1.00 0.00 H new ATOM 0 HG3 GLN C 53 25.264 -12.104 8.499 1.00 0.00 H new ATOM 0 HE21 GLN C 53 24.278 -13.664 11.496 1.00 0.00 H new ATOM 0 HE22 GLN C 53 25.361 -12.760 12.560 1.00 0.00 H new ATOM 782 N THR C 54 21.229 -9.903 7.440 1.00 0.00 N ATOM 783 CA THR C 54 19.978 -9.184 7.347 1.00 0.00 C ATOM 784 C THR C 54 19.258 -9.585 6.066 1.00 0.00 C ATOM 785 O THR C 54 18.055 -9.835 6.065 1.00 0.00 O ATOM 786 CB THR C 54 20.201 -7.662 7.358 1.00 0.00 C ATOM 787 OG1 THR C 54 21.140 -7.314 8.385 1.00 0.00 O ATOM 788 CG2 THR C 54 18.890 -6.930 7.601 1.00 0.00 C ATOM 0 H THR C 54 22.058 -9.335 7.267 1.00 0.00 H new ATOM 0 HA THR C 54 19.372 -9.442 8.215 1.00 0.00 H new ATOM 0 HB THR C 54 20.595 -7.365 6.386 1.00 0.00 H new ATOM 0 HG1 THR C 54 21.879 -6.803 7.993 1.00 0.00 H new ATOM 0 HG21 THR C 54 19.069 -5.855 7.605 1.00 0.00 H new ATOM 0 HG22 THR C 54 18.183 -7.177 6.809 1.00 0.00 H new ATOM 0 HG23 THR C 54 18.477 -7.233 8.563 1.00 0.00 H new ATOM 796 N VAL C 55 20.028 -9.694 4.987 1.00 0.00 N ATOM 797 CA VAL C 55 19.483 -10.043 3.681 1.00 0.00 C ATOM 798 C VAL C 55 18.988 -11.485 3.679 1.00 0.00 C ATOM 799 O VAL C 55 18.127 -11.858 2.895 1.00 0.00 O ATOM 800 CB VAL C 55 20.552 -9.839 2.566 1.00 0.00 C ATOM 801 CG1 VAL C 55 20.125 -10.412 1.210 1.00 0.00 C ATOM 802 CG2 VAL C 55 20.892 -8.364 2.430 1.00 0.00 C ATOM 0 H VAL C 55 21.037 -9.544 4.993 1.00 0.00 H new ATOM 0 HA VAL C 55 18.640 -9.383 3.476 1.00 0.00 H new ATOM 0 HB VAL C 55 21.437 -10.395 2.875 1.00 0.00 H new ATOM 0 HG11 VAL C 55 20.913 -10.238 0.477 1.00 0.00 H new ATOM 0 HG12 VAL C 55 19.950 -11.484 1.307 1.00 0.00 H new ATOM 0 HG13 VAL C 55 19.208 -9.923 0.881 1.00 0.00 H new ATOM 0 HG21 VAL C 55 21.640 -8.234 1.648 1.00 0.00 H new ATOM 0 HG22 VAL C 55 19.993 -7.806 2.169 1.00 0.00 H new ATOM 0 HG23 VAL C 55 21.287 -7.993 3.376 1.00 0.00 H new ATOM 812 N ALA C 56 19.515 -12.288 4.581 1.00 0.00 N ATOM 813 CA ALA C 56 19.108 -13.674 4.681 1.00 0.00 C ATOM 814 C ALA C 56 17.663 -13.780 5.135 1.00 0.00 C ATOM 815 O ALA C 56 16.922 -14.653 4.681 1.00 0.00 O ATOM 816 CB ALA C 56 20.023 -14.438 5.621 1.00 0.00 C ATOM 0 H ALA C 56 20.226 -12.004 5.255 1.00 0.00 H new ATOM 0 HA ALA C 56 19.187 -14.122 3.691 1.00 0.00 H new ATOM 0 HB1 ALA C 56 19.698 -15.477 5.681 1.00 0.00 H new ATOM 0 HB2 ALA C 56 21.045 -14.399 5.245 1.00 0.00 H new ATOM 0 HB3 ALA C 56 19.983 -13.988 6.613 1.00 0.00 H new ATOM 822 N VAL C 57 17.256 -12.881 6.018 1.00 0.00 N ATOM 823 CA VAL C 57 15.876 -12.891 6.496 1.00 0.00 C ATOM 824 C VAL C 57 15.019 -11.942 5.668 1.00 0.00 C ATOM 825 O VAL C 57 13.840 -12.201 5.416 1.00 0.00 O ATOM 826 CB VAL C 57 15.755 -12.484 7.980 1.00 0.00 C ATOM 827 CG1 VAL C 57 14.459 -13.012 8.574 1.00 0.00 C ATOM 828 CG2 VAL C 57 16.955 -12.959 8.785 1.00 0.00 C ATOM 0 H VAL C 57 17.845 -12.148 6.413 1.00 0.00 H new ATOM 0 HA VAL C 57 15.527 -13.918 6.392 1.00 0.00 H new ATOM 0 HB VAL C 57 15.738 -11.395 8.029 1.00 0.00 H new ATOM 0 HG11 VAL C 57 14.391 -12.715 9.621 1.00 0.00 H new ATOM 0 HG12 VAL C 57 13.613 -12.600 8.024 1.00 0.00 H new ATOM 0 HG13 VAL C 57 14.443 -14.100 8.503 1.00 0.00 H new ATOM 0 HG21 VAL C 57 16.838 -12.656 9.825 1.00 0.00 H new ATOM 0 HG22 VAL C 57 17.024 -14.045 8.729 1.00 0.00 H new ATOM 0 HG23 VAL C 57 17.864 -12.516 8.378 1.00 0.00 H new ATOM 838 N PHE C 58 15.630 -10.857 5.216 1.00 0.00 N ATOM 839 CA PHE C 58 14.892 -9.774 4.580 1.00 0.00 C ATOM 840 C PHE C 58 15.160 -9.710 3.085 1.00 0.00 C ATOM 841 O PHE C 58 14.965 -8.668 2.457 1.00 0.00 O ATOM 842 CB PHE C 58 15.246 -8.436 5.227 1.00 0.00 C ATOM 843 CG PHE C 58 14.779 -8.312 6.650 1.00 0.00 C ATOM 844 CD1 PHE C 58 15.636 -8.591 7.703 1.00 0.00 C ATOM 845 CD2 PHE C 58 13.483 -7.914 6.935 1.00 0.00 C ATOM 846 CE1 PHE C 58 15.210 -8.477 9.012 1.00 0.00 C ATOM 847 CE2 PHE C 58 13.051 -7.799 8.243 1.00 0.00 C ATOM 848 CZ PHE C 58 13.915 -8.079 9.281 1.00 0.00 C ATOM 0 H PHE C 58 16.636 -10.702 5.278 1.00 0.00 H new ATOM 0 HA PHE C 58 13.831 -9.976 4.723 1.00 0.00 H new ATOM 0 HB2 PHE C 58 16.327 -8.302 5.196 1.00 0.00 H new ATOM 0 HB3 PHE C 58 14.808 -7.630 4.638 1.00 0.00 H new ATOM 0 HD1 PHE C 58 16.650 -8.901 7.497 1.00 0.00 H new ATOM 0 HD2 PHE C 58 12.803 -7.691 6.126 1.00 0.00 H new ATOM 0 HE1 PHE C 58 15.888 -8.699 9.823 1.00 0.00 H new ATOM 0 HE2 PHE C 58 12.037 -7.490 8.452 1.00 0.00 H new ATOM 0 HZ PHE C 58 13.579 -7.987 10.303 1.00 0.00 H new ATOM 858 N LYS C 59 15.637 -10.813 2.531 1.00 0.00 N ATOM 859 CA LYS C 59 15.827 -10.935 1.093 1.00 0.00 C ATOM 860 C LYS C 59 14.564 -10.541 0.326 1.00 0.00 C ATOM 861 O LYS C 59 13.484 -11.093 0.567 1.00 0.00 O ATOM 862 CB LYS C 59 16.201 -12.370 0.725 1.00 0.00 C ATOM 863 CG LYS C 59 16.403 -12.564 -0.764 1.00 0.00 C ATOM 864 CD LYS C 59 16.476 -14.031 -1.139 1.00 0.00 C ATOM 865 CE LYS C 59 16.334 -14.209 -2.640 1.00 0.00 C ATOM 866 NZ LYS C 59 15.024 -13.702 -3.131 1.00 0.00 N ATOM 0 H LYS C 59 15.902 -11.644 3.060 1.00 0.00 H new ATOM 0 HA LYS C 59 16.634 -10.257 0.815 1.00 0.00 H new ATOM 0 HB2 LYS C 59 17.115 -12.648 1.250 1.00 0.00 H new ATOM 0 HB3 LYS C 59 15.418 -13.044 1.071 1.00 0.00 H new ATOM 0 HG2 LYS C 59 15.584 -12.091 -1.306 1.00 0.00 H new ATOM 0 HG3 LYS C 59 17.321 -12.064 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS C 59 17.426 -14.450 -0.806 1.00 0.00 H new ATOM 0 HD3 LYS C 59 15.688 -14.582 -0.626 1.00 0.00 H new ATOM 0 HE2 LYS C 59 17.142 -13.682 -3.147 1.00 0.00 H new ATOM 0 HE3 LYS C 59 16.434 -15.265 -2.893 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 14.941 -13.886 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 14.254 -14.187 -2.628 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 14.961 -12.679 -2.957 1.00 0.00 H new ATOM 880 N PRO C 60 14.678 -9.579 -0.601 1.00 0.00 N ATOM 881 CA PRO C 60 13.595 -9.167 -1.458 1.00 0.00 C ATOM 882 C PRO C 60 13.707 -9.802 -2.844 1.00 0.00 C ATOM 883 O PRO C 60 14.306 -10.869 -3.006 1.00 0.00 O ATOM 884 CB PRO C 60 13.818 -7.652 -1.534 1.00 0.00 C ATOM 885 CG PRO C 60 15.280 -7.438 -1.262 1.00 0.00 C ATOM 886 CD PRO C 60 15.866 -8.778 -0.895 1.00 0.00 C ATOM 0 HA PRO C 60 12.611 -9.458 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO C 60 13.542 -7.265 -2.515 1.00 0.00 H new ATOM 0 HB3 PRO C 60 13.204 -7.129 -0.801 1.00 0.00 H new ATOM 0 HG2 PRO C 60 15.779 -7.027 -2.140 1.00 0.00 H new ATOM 0 HG3 PRO C 60 15.420 -6.722 -0.452 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.449 -9.203 -1.713 1.00 0.00 H new ATOM 0 HD3 PRO C 60 16.530 -8.707 -0.034 1.00 0.00 H new ATOM 894 N GLU C 61 13.141 -9.124 -3.829 1.00 0.00 N ATOM 895 CA GLU C 61 13.137 -9.583 -5.216 1.00 0.00 C ATOM 896 C GLU C 61 13.124 -8.389 -6.148 1.00 0.00 C ATOM 897 O GLU C 61 12.784 -7.273 -5.749 1.00 0.00 O ATOM 898 CB GLU C 61 11.914 -10.443 -5.527 1.00 0.00 C ATOM 899 CG GLU C 61 11.924 -11.814 -4.876 1.00 0.00 C ATOM 900 CD GLU C 61 12.840 -12.782 -5.595 1.00 0.00 C ATOM 901 OE1 GLU C 61 14.071 -12.694 -5.417 1.00 0.00 O ATOM 902 OE2 GLU C 61 12.333 -13.638 -6.350 1.00 0.00 O ATOM 0 H GLU C 61 12.666 -8.232 -3.691 1.00 0.00 H new ATOM 0 HA GLU C 61 14.035 -10.183 -5.361 1.00 0.00 H new ATOM 0 HB2 GLU C 61 11.020 -9.909 -5.206 1.00 0.00 H new ATOM 0 HB3 GLU C 61 11.840 -10.569 -6.607 1.00 0.00 H new ATOM 0 HG2 GLU C 61 12.242 -11.719 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU C 61 10.911 -12.216 -4.864 1.00 0.00 H new ATOM 909 N VAL C 62 13.434 -8.648 -7.398 1.00 0.00 N ATOM 910 CA VAL C 62 13.550 -7.609 -8.383 1.00 0.00 C ATOM 911 C VAL C 62 12.214 -7.404 -9.065 1.00 0.00 C ATOM 912 O VAL C 62 11.552 -8.349 -9.502 1.00 0.00 O ATOM 913 CB VAL C 62 14.647 -7.910 -9.428 1.00 0.00 C ATOM 914 CG1 VAL C 62 16.000 -8.028 -8.750 1.00 0.00 C ATOM 915 CG2 VAL C 62 14.331 -9.172 -10.214 1.00 0.00 C ATOM 0 H VAL C 62 13.612 -9.587 -7.756 1.00 0.00 H new ATOM 0 HA VAL C 62 13.845 -6.695 -7.868 1.00 0.00 H new ATOM 0 HB VAL C 62 14.678 -7.080 -10.134 1.00 0.00 H new ATOM 0 HG11 VAL C 62 16.764 -8.240 -9.498 1.00 0.00 H new ATOM 0 HG12 VAL C 62 16.237 -7.092 -8.245 1.00 0.00 H new ATOM 0 HG13 VAL C 62 15.972 -8.837 -8.020 1.00 0.00 H new ATOM 0 HG21 VAL C 62 15.122 -9.356 -10.941 1.00 0.00 H new ATOM 0 HG22 VAL C 62 14.262 -10.019 -9.531 1.00 0.00 H new ATOM 0 HG23 VAL C 62 13.382 -9.048 -10.735 1.00 0.00 H new ATOM 925 N GLY C 63 11.807 -6.166 -9.086 1.00 0.00 N ATOM 926 CA GLY C 63 10.550 -5.801 -9.697 1.00 0.00 C ATOM 927 C GLY C 63 9.483 -5.498 -8.670 1.00 0.00 C ATOM 928 O GLY C 63 8.435 -4.947 -9.006 1.00 0.00 O ATOM 0 H GLY C 63 12.327 -5.385 -8.686 1.00 0.00 H new ATOM 0 HA2 GLY C 63 10.697 -4.929 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY C 63 10.212 -6.613 -10.341 1.00 0.00 H new ATOM 932 N GLY C 64 9.735 -5.855 -7.415 1.00 0.00 N ATOM 933 CA GLY C 64 8.767 -5.594 -6.382 1.00 0.00 C ATOM 934 C GLY C 64 9.027 -4.285 -5.677 1.00 0.00 C ATOM 935 O GLY C 64 9.820 -3.458 -6.139 1.00 0.00 O ATOM 0 H GLY C 64 10.589 -6.317 -7.102 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.768 -5.578 -6.818 1.00 0.00 H new ATOM 0 HA3 GLY C 64 8.785 -6.406 -5.655 1.00 0.00 H new ATOM 939 N TYR C 65 8.376 -4.103 -4.548 1.00 0.00 N ATOM 940 CA TYR C 65 8.469 -2.856 -3.811 1.00 0.00 C ATOM 941 C TYR C 65 8.924 -3.088 -2.381 1.00 0.00 C ATOM 942 O TYR C 65 8.364 -3.913 -1.656 1.00 0.00 O ATOM 943 CB TYR C 65 7.126 -2.122 -3.823 1.00 0.00 C ATOM 944 CG TYR C 65 6.829 -1.447 -5.141 1.00 0.00 C ATOM 945 CD1 TYR C 65 7.365 -0.199 -5.431 1.00 0.00 C ATOM 946 CD2 TYR C 65 6.022 -2.052 -6.096 1.00 0.00 C ATOM 947 CE1 TYR C 65 7.108 0.426 -6.634 1.00 0.00 C ATOM 948 CE2 TYR C 65 5.760 -1.432 -7.304 1.00 0.00 C ATOM 949 CZ TYR C 65 6.306 -0.193 -7.568 1.00 0.00 C ATOM 950 OH TYR C 65 6.053 0.427 -8.770 1.00 0.00 O ATOM 0 H TYR C 65 7.774 -4.804 -4.117 1.00 0.00 H new ATOM 0 HA TYR C 65 9.216 -2.236 -4.307 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.330 -2.831 -3.598 1.00 0.00 H new ATOM 0 HB3 TYR C 65 7.121 -1.374 -3.030 1.00 0.00 H new ATOM 0 HD1 TYR C 65 7.994 0.291 -4.702 1.00 0.00 H new ATOM 0 HD2 TYR C 65 5.592 -3.022 -5.892 1.00 0.00 H new ATOM 0 HE1 TYR C 65 7.534 1.396 -6.843 1.00 0.00 H new ATOM 0 HE2 TYR C 65 5.131 -1.915 -8.037 1.00 0.00 H new ATOM 0 HH TYR C 65 5.472 -0.143 -9.316 1.00 0.00 H new ATOM 960 N LEU C 66 9.968 -2.376 -2.000 1.00 0.00 N ATOM 961 CA LEU C 66 10.403 -2.327 -0.619 1.00 0.00 C ATOM 962 C LEU C 66 9.821 -1.065 0.001 1.00 0.00 C ATOM 963 O LEU C 66 9.508 -0.119 -0.718 1.00 0.00 O ATOM 964 CB LEU C 66 11.936 -2.314 -0.549 1.00 0.00 C ATOM 965 CG LEU C 66 12.547 -2.352 0.855 1.00 0.00 C ATOM 966 CD1 LEU C 66 12.334 -3.711 1.494 1.00 0.00 C ATOM 967 CD2 LEU C 66 14.029 -2.022 0.799 1.00 0.00 C ATOM 0 H LEU C 66 10.536 -1.818 -2.637 1.00 0.00 H new ATOM 0 HA LEU C 66 10.058 -3.205 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU C 66 12.312 -3.169 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU C 66 12.295 -1.418 -1.055 1.00 0.00 H new ATOM 0 HG LEU C 66 12.046 -1.601 1.466 1.00 0.00 H new ATOM 0 HD11 LEU C 66 12.775 -3.718 2.491 1.00 0.00 H new ATOM 0 HD12 LEU C 66 11.266 -3.915 1.569 1.00 0.00 H new ATOM 0 HD13 LEU C 66 12.808 -4.479 0.882 1.00 0.00 H new ATOM 0 HD21 LEU C 66 14.447 -2.054 1.805 1.00 0.00 H new ATOM 0 HD22 LEU C 66 14.541 -2.751 0.170 1.00 0.00 H new ATOM 0 HD23 LEU C 66 14.164 -1.024 0.381 1.00 0.00 H new ATOM 979 N PHE C 67 9.643 -1.038 1.305 1.00 0.00 N ATOM 980 CA PHE C 67 9.054 0.131 1.940 1.00 0.00 C ATOM 981 C PHE C 67 9.616 0.341 3.334 1.00 0.00 C ATOM 982 O PHE C 67 10.182 -0.578 3.923 1.00 0.00 O ATOM 983 CB PHE C 67 7.530 -0.006 1.994 1.00 0.00 C ATOM 984 CG PHE C 67 7.050 -1.210 2.756 1.00 0.00 C ATOM 985 CD1 PHE C 67 6.691 -2.362 2.083 1.00 0.00 C ATOM 986 CD2 PHE C 67 6.965 -1.191 4.140 1.00 0.00 C ATOM 987 CE1 PHE C 67 6.256 -3.474 2.771 1.00 0.00 C ATOM 988 CE2 PHE C 67 6.529 -2.302 4.835 1.00 0.00 C ATOM 989 CZ PHE C 67 6.174 -3.445 4.149 1.00 0.00 C ATOM 0 H PHE C 67 9.891 -1.796 1.940 1.00 0.00 H new ATOM 0 HA PHE C 67 9.309 1.005 1.341 1.00 0.00 H new ATOM 0 HB2 PHE C 67 7.111 0.891 2.451 1.00 0.00 H new ATOM 0 HB3 PHE C 67 7.144 -0.056 0.976 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.752 -2.391 1.005 1.00 0.00 H new ATOM 0 HD2 PHE C 67 7.243 -0.298 4.680 1.00 0.00 H new ATOM 0 HE1 PHE C 67 5.979 -4.368 2.232 1.00 0.00 H new ATOM 0 HE2 PHE C 67 6.466 -2.276 5.913 1.00 0.00 H new ATOM 0 HZ PHE C 67 5.832 -4.316 4.689 1.00 0.00 H new ATOM 999 N ARG C 68 9.463 1.555 3.848 1.00 0.00 N ATOM 1000 CA ARG C 68 9.877 1.870 5.203 1.00 0.00 C ATOM 1001 C ARG C 68 8.838 2.760 5.862 1.00 0.00 C ATOM 1002 O ARG C 68 8.420 3.762 5.282 1.00 0.00 O ATOM 1003 CB ARG C 68 11.234 2.575 5.214 1.00 0.00 C ATOM 1004 CG ARG C 68 11.725 2.894 6.616 1.00 0.00 C ATOM 1005 CD ARG C 68 12.947 3.795 6.593 1.00 0.00 C ATOM 1006 NE ARG C 68 12.633 5.126 6.080 1.00 0.00 N ATOM 1007 CZ ARG C 68 13.520 5.940 5.516 1.00 0.00 C ATOM 1008 NH1 ARG C 68 14.792 5.568 5.396 1.00 0.00 N ATOM 1009 NH2 ARG C 68 13.137 7.133 5.082 1.00 0.00 N ATOM 0 H ARG C 68 9.053 2.339 3.341 1.00 0.00 H new ATOM 0 HA ARG C 68 9.969 0.936 5.757 1.00 0.00 H new ATOM 0 HB2 ARG C 68 11.969 1.945 4.712 1.00 0.00 H new ATOM 0 HB3 ARG C 68 11.162 3.499 4.641 1.00 0.00 H new ATOM 0 HG2 ARG C 68 10.927 3.378 7.179 1.00 0.00 H new ATOM 0 HG3 ARG C 68 11.966 1.967 7.137 1.00 0.00 H new ATOM 0 HD2 ARG C 68 13.354 3.881 7.601 1.00 0.00 H new ATOM 0 HD3 ARG C 68 13.721 3.341 5.975 1.00 0.00 H new ATOM 0 HE ARG C 68 11.670 5.452 6.160 1.00 0.00 H new ATOM 0 HH11 ARG C 68 15.091 4.654 5.738 1.00 0.00 H new ATOM 0 HH12 ARG C 68 15.468 6.196 4.962 1.00 0.00 H new ATOM 0 HH21 ARG C 68 12.164 7.424 5.181 1.00 0.00 H new ATOM 0 HH22 ARG C 68 13.815 7.760 4.649 1.00 0.00 H new ATOM 1023 N SER C 69 8.421 2.397 7.061 1.00 0.00 N ATOM 1024 CA SER C 69 7.437 3.177 7.776 1.00 0.00 C ATOM 1025 C SER C 69 8.116 4.062 8.807 1.00 0.00 C ATOM 1026 O SER C 69 9.307 3.915 9.092 1.00 0.00 O ATOM 1027 CB SER C 69 6.419 2.258 8.451 1.00 0.00 C ATOM 1028 OG SER C 69 7.024 1.495 9.480 1.00 0.00 O ATOM 0 H SER C 69 8.750 1.568 7.556 1.00 0.00 H new ATOM 0 HA SER C 69 6.911 3.813 7.064 1.00 0.00 H new ATOM 0 HB2 SER C 69 5.606 2.854 8.866 1.00 0.00 H new ATOM 0 HB3 SER C 69 5.979 1.591 7.710 1.00 0.00 H new ATOM 0 HG SER C 69 6.334 1.169 10.094 1.00 0.00 H new ATOM 1034 N GLN C 70 7.335 4.967 9.375 1.00 0.00 N ATOM 1035 CA GLN C 70 7.827 5.930 10.352 1.00 0.00 C ATOM 1036 C GLN C 70 8.183 5.243 11.669 1.00 0.00 C ATOM 1037 O GLN C 70 8.765 5.855 12.563 1.00 0.00 O ATOM 1038 CB GLN C 70 6.767 7.001 10.598 1.00 0.00 C ATOM 1039 CG GLN C 70 6.259 7.660 9.325 1.00 0.00 C ATOM 1040 CD GLN C 70 7.335 8.431 8.589 1.00 0.00 C ATOM 1041 OE1 GLN C 70 8.045 7.890 7.738 1.00 0.00 O ATOM 1042 NE2 GLN C 70 7.454 9.706 8.907 1.00 0.00 N ATOM 0 H GLN C 70 6.339 5.056 9.172 1.00 0.00 H new ATOM 0 HA GLN C 70 8.730 6.392 9.953 1.00 0.00 H new ATOM 0 HB2 GLN C 70 5.925 6.552 11.126 1.00 0.00 H new ATOM 0 HB3 GLN C 70 7.182 7.767 11.253 1.00 0.00 H new ATOM 0 HG2 GLN C 70 5.851 6.895 8.664 1.00 0.00 H new ATOM 0 HG3 GLN C 70 5.441 8.336 9.574 1.00 0.00 H new ATOM 0 HE21 GLN C 70 6.846 10.113 9.617 1.00 0.00 H new ATOM 0 HE22 GLN C 70 8.154 10.284 8.443 1.00 0.00 H new ATOM 1051 N TYR C 71 7.824 3.969 11.783 1.00 0.00 N ATOM 1052 CA TYR C 71 8.156 3.183 12.963 1.00 0.00 C ATOM 1053 C TYR C 71 9.498 2.494 12.768 1.00 0.00 C ATOM 1054 O TYR C 71 9.981 1.780 13.647 1.00 0.00 O ATOM 1055 CB TYR C 71 7.075 2.134 13.237 1.00 0.00 C ATOM 1056 CG TYR C 71 5.704 2.716 13.486 1.00 0.00 C ATOM 1057 CD1 TYR C 71 5.243 2.937 14.777 1.00 0.00 C ATOM 1058 CD2 TYR C 71 4.868 3.038 12.428 1.00 0.00 C ATOM 1059 CE1 TYR C 71 3.985 3.463 15.004 1.00 0.00 C ATOM 1060 CE2 TYR C 71 3.612 3.565 12.647 1.00 0.00 C ATOM 1061 CZ TYR C 71 3.174 3.775 13.934 1.00 0.00 C ATOM 1062 OH TYR C 71 1.920 4.301 14.150 1.00 0.00 O ATOM 0 H TYR C 71 7.302 3.459 11.070 1.00 0.00 H new ATOM 0 HA TYR C 71 8.214 3.857 13.818 1.00 0.00 H new ATOM 0 HB2 TYR C 71 7.021 1.453 12.388 1.00 0.00 H new ATOM 0 HB3 TYR C 71 7.370 1.541 14.103 1.00 0.00 H new ATOM 0 HD1 TYR C 71 5.877 2.694 15.617 1.00 0.00 H new ATOM 0 HD2 TYR C 71 5.206 2.874 11.415 1.00 0.00 H new ATOM 0 HE1 TYR C 71 3.640 3.629 16.014 1.00 0.00 H new ATOM 0 HE2 TYR C 71 2.975 3.812 11.811 1.00 0.00 H new ATOM 0 HH TYR C 71 1.921 4.819 14.982 1.00 0.00 H new ATOM 1072 N GLY C 72 10.092 2.709 11.602 1.00 0.00 N ATOM 1073 CA GLY C 72 11.368 2.099 11.292 1.00 0.00 C ATOM 1074 C GLY C 72 11.203 0.694 10.760 1.00 0.00 C ATOM 1075 O GLY C 72 12.150 -0.095 10.749 1.00 0.00 O ATOM 0 H GLY C 72 9.710 3.298 10.862 1.00 0.00 H new ATOM 0 HA2 GLY C 72 11.893 2.707 10.555 1.00 0.00 H new ATOM 0 HA3 GLY C 72 11.988 2.078 12.188 1.00 0.00 H new ATOM 1079 N GLU C 73 9.993 0.381 10.323 1.00 0.00 N ATOM 1080 CA GLU C 73 9.687 -0.933 9.788 1.00 0.00 C ATOM 1081 C GLU C 73 9.879 -0.954 8.287 1.00 0.00 C ATOM 1082 O GLU C 73 9.275 -0.166 7.561 1.00 0.00 O ATOM 1083 CB GLU C 73 8.259 -1.330 10.140 1.00 0.00 C ATOM 1084 CG GLU C 73 8.067 -1.582 11.620 1.00 0.00 C ATOM 1085 CD GLU C 73 8.710 -2.874 12.071 1.00 0.00 C ATOM 1086 OE1 GLU C 73 8.093 -3.944 11.885 1.00 0.00 O ATOM 1087 OE2 GLU C 73 9.838 -2.832 12.599 1.00 0.00 O ATOM 0 H GLU C 73 9.203 1.026 10.330 1.00 0.00 H new ATOM 0 HA GLU C 73 10.372 -1.653 10.236 1.00 0.00 H new ATOM 0 HB2 GLU C 73 7.578 -0.541 9.819 1.00 0.00 H new ATOM 0 HB3 GLU C 73 7.990 -2.229 9.585 1.00 0.00 H new ATOM 0 HG2 GLU C 73 8.490 -0.752 12.185 1.00 0.00 H new ATOM 0 HG3 GLU C 73 7.001 -1.611 11.846 1.00 0.00 H new ATOM 1094 N LEU C 74 10.735 -1.842 7.837 1.00 0.00 N ATOM 1095 CA LEU C 74 10.996 -2.001 6.417 1.00 0.00 C ATOM 1096 C LEU C 74 10.922 -3.470 6.038 1.00 0.00 C ATOM 1097 O LEU C 74 11.524 -4.326 6.689 1.00 0.00 O ATOM 1098 CB LEU C 74 12.356 -1.409 6.015 1.00 0.00 C ATOM 1099 CG LEU C 74 13.577 -2.023 6.695 1.00 0.00 C ATOM 1100 CD1 LEU C 74 14.832 -1.743 5.883 1.00 0.00 C ATOM 1101 CD2 LEU C 74 13.741 -1.475 8.107 1.00 0.00 C ATOM 0 H LEU C 74 11.269 -2.472 8.436 1.00 0.00 H new ATOM 0 HA LEU C 74 10.230 -1.449 5.872 1.00 0.00 H new ATOM 0 HB2 LEU C 74 12.473 -1.516 4.937 1.00 0.00 H new ATOM 0 HB3 LEU C 74 12.343 -0.340 6.230 1.00 0.00 H new ATOM 0 HG LEU C 74 13.425 -3.101 6.755 1.00 0.00 H new ATOM 0 HD11 LEU C 74 15.694 -2.187 6.381 1.00 0.00 H new ATOM 0 HD12 LEU C 74 14.725 -2.175 4.888 1.00 0.00 H new ATOM 0 HD13 LEU C 74 14.977 -0.666 5.798 1.00 0.00 H new ATOM 0 HD21 LEU C 74 14.617 -1.926 8.573 1.00 0.00 H new ATOM 0 HD22 LEU C 74 13.869 -0.393 8.065 1.00 0.00 H new ATOM 0 HD23 LEU C 74 12.854 -1.713 8.695 1.00 0.00 H new ATOM 1113 N LEU C 75 10.178 -3.749 4.985 1.00 0.00 N ATOM 1114 CA LEU C 75 9.903 -5.116 4.555 1.00 0.00 C ATOM 1115 C LEU C 75 9.672 -5.152 3.050 1.00 0.00 C ATOM 1116 O LEU C 75 9.338 -4.135 2.443 1.00 0.00 O ATOM 1117 CB LEU C 75 8.656 -5.660 5.266 1.00 0.00 C ATOM 1118 CG LEU C 75 8.770 -5.835 6.781 1.00 0.00 C ATOM 1119 CD1 LEU C 75 7.397 -6.062 7.390 1.00 0.00 C ATOM 1120 CD2 LEU C 75 9.692 -6.997 7.115 1.00 0.00 C ATOM 0 H LEU C 75 9.744 -3.036 4.399 1.00 0.00 H new ATOM 0 HA LEU C 75 10.763 -5.735 4.810 1.00 0.00 H new ATOM 0 HB2 LEU C 75 7.823 -4.988 5.060 1.00 0.00 H new ATOM 0 HB3 LEU C 75 8.404 -6.625 4.827 1.00 0.00 H new ATOM 0 HG LEU C 75 9.194 -4.924 7.203 1.00 0.00 H new ATOM 0 HD11 LEU C 75 7.493 -6.185 8.469 1.00 0.00 H new ATOM 0 HD12 LEU C 75 6.759 -5.204 7.178 1.00 0.00 H new ATOM 0 HD13 LEU C 75 6.953 -6.960 6.961 1.00 0.00 H new ATOM 0 HD21 LEU C 75 9.761 -7.107 8.197 1.00 0.00 H new ATOM 0 HD22 LEU C 75 9.293 -7.914 6.682 1.00 0.00 H new ATOM 0 HD23 LEU C 75 10.684 -6.804 6.706 1.00 0.00 H new ATOM 1132 N TYR C 76 9.861 -6.320 2.457 1.00 0.00 N ATOM 1133 CA TYR C 76 9.574 -6.515 1.044 1.00 0.00 C ATOM 1134 C TYR C 76 8.187 -7.112 0.867 1.00 0.00 C ATOM 1135 O TYR C 76 7.841 -8.095 1.522 1.00 0.00 O ATOM 1136 CB TYR C 76 10.620 -7.428 0.394 1.00 0.00 C ATOM 1137 CG TYR C 76 10.179 -7.979 -0.947 1.00 0.00 C ATOM 1138 CD1 TYR C 76 10.157 -7.175 -2.079 1.00 0.00 C ATOM 1139 CD2 TYR C 76 9.764 -9.300 -1.072 1.00 0.00 C ATOM 1140 CE1 TYR C 76 9.730 -7.670 -3.296 1.00 0.00 C ATOM 1141 CE2 TYR C 76 9.342 -9.803 -2.287 1.00 0.00 C ATOM 1142 CZ TYR C 76 9.324 -8.984 -3.395 1.00 0.00 C ATOM 1143 OH TYR C 76 8.888 -9.480 -4.603 1.00 0.00 O ATOM 0 H TYR C 76 10.213 -7.150 2.934 1.00 0.00 H new ATOM 0 HA TYR C 76 9.611 -5.542 0.554 1.00 0.00 H new ATOM 0 HB2 TYR C 76 11.548 -6.871 0.264 1.00 0.00 H new ATOM 0 HB3 TYR C 76 10.838 -8.257 1.067 1.00 0.00 H new ATOM 0 HD1 TYR C 76 10.479 -6.147 -2.007 1.00 0.00 H new ATOM 0 HD2 TYR C 76 9.772 -9.943 -0.205 1.00 0.00 H new ATOM 0 HE1 TYR C 76 9.714 -7.031 -4.166 1.00 0.00 H new ATOM 0 HE2 TYR C 76 9.028 -10.833 -2.368 1.00 0.00 H new ATOM 0 HH TYR C 76 8.640 -10.422 -4.499 1.00 0.00 H new ATOM 1153 N MET C 77 7.399 -6.520 -0.017 1.00 0.00 N ATOM 1154 CA MET C 77 6.060 -7.018 -0.296 1.00 0.00 C ATOM 1155 C MET C 77 5.728 -6.869 -1.773 1.00 0.00 C ATOM 1156 O MET C 77 6.092 -5.877 -2.407 1.00 0.00 O ATOM 1157 CB MET C 77 5.010 -6.275 0.544 1.00 0.00 C ATOM 1158 CG MET C 77 4.993 -6.652 2.022 1.00 0.00 C ATOM 1159 SD MET C 77 3.951 -8.086 2.399 1.00 0.00 S ATOM 1160 CE MET C 77 4.789 -9.410 1.530 1.00 0.00 C ATOM 0 H MET C 77 7.663 -5.694 -0.554 1.00 0.00 H new ATOM 0 HA MET C 77 6.039 -8.075 -0.030 1.00 0.00 H new ATOM 0 HB2 MET C 77 5.188 -5.203 0.458 1.00 0.00 H new ATOM 0 HB3 MET C 77 4.024 -6.469 0.122 1.00 0.00 H new ATOM 0 HG2 MET C 77 6.013 -6.860 2.346 1.00 0.00 H new ATOM 0 HG3 MET C 77 4.643 -5.798 2.601 1.00 0.00 H new ATOM 0 HE1 MET C 77 4.445 -10.371 1.912 1.00 0.00 H new ATOM 0 HE2 MET C 77 4.568 -9.343 0.465 1.00 0.00 H new ATOM 0 HE3 MET C 77 5.865 -9.323 1.684 1.00 0.00 H new ATOM 1170 N SER C 78 5.063 -7.877 -2.315 1.00 0.00 N ATOM 1171 CA SER C 78 4.533 -7.809 -3.665 1.00 0.00 C ATOM 1172 C SER C 78 3.378 -6.812 -3.716 1.00 0.00 C ATOM 1173 O SER C 78 2.791 -6.515 -2.670 1.00 0.00 O ATOM 1174 CB SER C 78 4.082 -9.201 -4.110 1.00 0.00 C ATOM 1175 OG SER C 78 3.499 -9.915 -3.029 1.00 0.00 O ATOM 0 H SER C 78 4.877 -8.758 -1.835 1.00 0.00 H new ATOM 0 HA SER C 78 5.309 -7.465 -4.349 1.00 0.00 H new ATOM 0 HB2 SER C 78 3.361 -9.112 -4.923 1.00 0.00 H new ATOM 0 HB3 SER C 78 4.935 -9.757 -4.500 1.00 0.00 H new ATOM 0 HG SER C 78 3.216 -10.801 -3.337 1.00 0.00 H new ATOM 1181 N LYS C 79 3.054 -6.286 -4.895 1.00 0.00 N ATOM 1182 CA LYS C 79 2.138 -5.150 -4.976 1.00 0.00 C ATOM 1183 C LYS C 79 0.803 -5.431 -4.288 1.00 0.00 C ATOM 1184 O LYS C 79 0.205 -4.522 -3.730 1.00 0.00 O ATOM 1185 CB LYS C 79 1.889 -4.704 -6.420 1.00 0.00 C ATOM 1186 CG LYS C 79 1.016 -5.652 -7.231 1.00 0.00 C ATOM 1187 CD LYS C 79 -0.092 -4.904 -7.963 1.00 0.00 C ATOM 1188 CE LYS C 79 -1.072 -4.261 -6.989 1.00 0.00 C ATOM 1189 NZ LYS C 79 -2.162 -3.533 -7.687 1.00 0.00 N ATOM 0 H LYS C 79 3.404 -6.620 -5.793 1.00 0.00 H new ATOM 0 HA LYS C 79 2.635 -4.337 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS C 79 1.421 -3.720 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS C 79 2.849 -4.594 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS C 79 1.632 -6.188 -7.953 1.00 0.00 H new ATOM 0 HG3 LYS C 79 0.577 -6.399 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS C 79 0.346 -4.136 -8.600 1.00 0.00 H new ATOM 0 HD3 LYS C 79 -0.627 -5.593 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS C 79 -1.503 -5.031 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS C 79 -0.535 -3.571 -6.339 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 -2.492 -2.748 -7.091 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 -1.806 -3.157 -8.589 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 -2.952 -4.184 -7.871 1.00 0.00 H new ATOM 1203 N THR C 80 0.352 -6.681 -4.311 1.00 0.00 N ATOM 1204 CA THR C 80 -0.915 -7.047 -3.698 1.00 0.00 C ATOM 1205 C THR C 80 -0.963 -6.636 -2.226 1.00 0.00 C ATOM 1206 O THR C 80 -1.814 -5.844 -1.813 1.00 0.00 O ATOM 1207 CB THR C 80 -1.153 -8.559 -3.820 1.00 0.00 C ATOM 1208 OG1 THR C 80 0.067 -9.264 -3.549 1.00 0.00 O ATOM 1209 CG2 THR C 80 -1.663 -8.921 -5.205 1.00 0.00 C ATOM 0 H THR C 80 0.848 -7.457 -4.749 1.00 0.00 H new ATOM 0 HA THR C 80 -1.703 -6.513 -4.229 1.00 0.00 H new ATOM 0 HB THR C 80 -1.911 -8.848 -3.092 1.00 0.00 H new ATOM 0 HG1 THR C 80 -0.089 -10.229 -3.626 1.00 0.00 H new ATOM 0 HG21 THR C 80 -1.823 -9.998 -5.264 1.00 0.00 H new ATOM 0 HG22 THR C 80 -2.604 -8.403 -5.393 1.00 0.00 H new ATOM 0 HG23 THR C 80 -0.929 -8.622 -5.953 1.00 0.00 H new ATOM 1217 N ALA C 81 -0.023 -7.155 -1.450 1.00 0.00 N ATOM 1218 CA ALA C 81 0.053 -6.851 -0.029 1.00 0.00 C ATOM 1219 C ALA C 81 0.493 -5.411 0.193 1.00 0.00 C ATOM 1220 O ALA C 81 -0.021 -4.721 1.077 1.00 0.00 O ATOM 1221 CB ALA C 81 1.014 -7.805 0.654 1.00 0.00 C ATOM 0 H ALA C 81 0.701 -7.792 -1.783 1.00 0.00 H new ATOM 0 HA ALA C 81 -0.939 -6.974 0.405 1.00 0.00 H new ATOM 0 HB1 ALA C 81 1.065 -7.571 1.717 1.00 0.00 H new ATOM 0 HB2 ALA C 81 0.664 -8.829 0.525 1.00 0.00 H new ATOM 0 HB3 ALA C 81 2.005 -7.702 0.212 1.00 0.00 H new ATOM 1227 N PHE C 82 1.439 -4.963 -0.624 1.00 0.00 N ATOM 1228 CA PHE C 82 1.959 -3.606 -0.532 1.00 0.00 C ATOM 1229 C PHE C 82 0.838 -2.589 -0.724 1.00 0.00 C ATOM 1230 O PHE C 82 0.732 -1.622 0.016 1.00 0.00 O ATOM 1231 CB PHE C 82 3.061 -3.394 -1.575 1.00 0.00 C ATOM 1232 CG PHE C 82 3.619 -2.000 -1.604 1.00 0.00 C ATOM 1233 CD1 PHE C 82 3.480 -1.209 -2.734 1.00 0.00 C ATOM 1234 CD2 PHE C 82 4.280 -1.479 -0.504 1.00 0.00 C ATOM 1235 CE1 PHE C 82 3.990 0.074 -2.765 1.00 0.00 C ATOM 1236 CE2 PHE C 82 4.792 -0.197 -0.529 1.00 0.00 C ATOM 1237 CZ PHE C 82 4.647 0.580 -1.661 1.00 0.00 C ATOM 0 H PHE C 82 1.863 -5.525 -1.362 1.00 0.00 H new ATOM 0 HA PHE C 82 2.384 -3.461 0.461 1.00 0.00 H new ATOM 0 HB2 PHE C 82 3.873 -4.094 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE C 82 2.664 -3.635 -2.561 1.00 0.00 H new ATOM 0 HD1 PHE C 82 2.967 -1.601 -3.600 1.00 0.00 H new ATOM 0 HD2 PHE C 82 4.396 -2.083 0.384 1.00 0.00 H new ATOM 0 HE1 PHE C 82 3.875 0.681 -3.651 1.00 0.00 H new ATOM 0 HE2 PHE C 82 5.305 0.197 0.336 1.00 0.00 H new ATOM 0 HZ PHE C 82 5.047 1.583 -1.683 1.00 0.00 H new ATOM 1247 N GLU C 83 -0.008 -2.836 -1.708 1.00 0.00 N ATOM 1248 CA GLU C 83 -1.136 -1.960 -2.002 1.00 0.00 C ATOM 1249 C GLU C 83 -2.119 -1.889 -0.830 1.00 0.00 C ATOM 1250 O GLU C 83 -2.508 -0.796 -0.390 1.00 0.00 O ATOM 1251 CB GLU C 83 -1.845 -2.456 -3.272 1.00 0.00 C ATOM 1252 CG GLU C 83 -3.171 -1.771 -3.561 1.00 0.00 C ATOM 1253 CD GLU C 83 -3.941 -2.449 -4.671 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -4.862 -3.229 -4.360 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -3.621 -2.220 -5.855 1.00 0.00 O ATOM 0 H GLU C 83 0.064 -3.645 -2.325 1.00 0.00 H new ATOM 0 HA GLU C 83 -0.757 -0.951 -2.164 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -1.181 -2.310 -4.124 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -2.016 -3.529 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -3.777 -1.762 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -2.988 -0.731 -3.832 1.00 0.00 H new ATOM 1262 N ALA C 84 -2.441 -3.050 -0.284 1.00 0.00 N ATOM 1263 CA ALA C 84 -3.548 -3.187 0.653 1.00 0.00 C ATOM 1264 C ALA C 84 -3.206 -2.560 1.985 1.00 0.00 C ATOM 1265 O ALA C 84 -4.087 -2.108 2.720 1.00 0.00 O ATOM 1266 CB ALA C 84 -3.901 -4.656 0.833 1.00 0.00 C ATOM 0 H ALA C 84 -1.946 -3.921 -0.475 1.00 0.00 H new ATOM 0 HA ALA C 84 -4.412 -2.664 0.244 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -4.730 -4.748 1.535 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -4.191 -5.081 -0.128 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -3.036 -5.193 1.221 1.00 0.00 H new ATOM 1272 N ASN C 85 -1.927 -2.532 2.299 1.00 0.00 N ATOM 1273 CA ASN C 85 -1.495 -1.952 3.547 1.00 0.00 C ATOM 1274 C ASN C 85 -0.845 -0.594 3.334 1.00 0.00 C ATOM 1275 O ASN C 85 -0.932 0.262 4.208 1.00 0.00 O ATOM 1276 CB ASN C 85 -0.538 -2.887 4.290 1.00 0.00 C ATOM 1277 CG ASN C 85 -1.184 -4.199 4.706 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -2.499 -4.198 4.872 1.00 0.00 O flip ATOM 1279 ND2 ASN C 85 -0.503 -5.211 4.872 1.00 0.00 N flip ATOM 0 H ASN C 85 -1.178 -2.900 1.712 1.00 0.00 H new ATOM 0 HA ASN C 85 -2.385 -1.810 4.161 1.00 0.00 H new ATOM 0 HB2 ASN C 85 0.321 -3.098 3.653 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -0.159 -2.379 5.177 1.00 0.00 H new ATOM 0 HD21 ASN C 85 0.507 -5.174 4.735 1.00 0.00 H new ATOM 0 HD22 ASN C 85 -0.949 -6.086 5.146 1.00 0.00 H new ATOM 1286 N TYR C 86 -0.196 -0.382 2.185 1.00 0.00 N ATOM 1287 CA TYR C 86 0.518 0.887 1.958 1.00 0.00 C ATOM 1288 C TYR C 86 0.420 1.389 0.514 1.00 0.00 C ATOM 1289 O TYR C 86 1.419 1.389 -0.196 1.00 0.00 O ATOM 1290 CB TYR C 86 2.008 0.759 2.306 1.00 0.00 C ATOM 1291 CG TYR C 86 2.350 -0.449 3.149 1.00 0.00 C ATOM 1292 CD1 TYR C 86 2.588 -0.335 4.512 1.00 0.00 C ATOM 1293 CD2 TYR C 86 2.416 -1.708 2.575 1.00 0.00 C ATOM 1294 CE1 TYR C 86 2.882 -1.447 5.276 1.00 0.00 C ATOM 1295 CE2 TYR C 86 2.706 -2.820 3.326 1.00 0.00 C ATOM 1296 CZ TYR C 86 2.939 -2.689 4.678 1.00 0.00 C ATOM 1297 OH TYR C 86 3.227 -3.800 5.436 1.00 0.00 O ATOM 0 H TYR C 86 -0.147 -1.049 1.415 1.00 0.00 H new ATOM 0 HA TYR C 86 0.026 1.606 2.613 1.00 0.00 H new ATOM 0 HB2 TYR C 86 2.583 0.716 1.381 1.00 0.00 H new ATOM 0 HB3 TYR C 86 2.324 1.658 2.836 1.00 0.00 H new ATOM 0 HD1 TYR C 86 2.543 0.637 4.981 1.00 0.00 H new ATOM 0 HD2 TYR C 86 2.236 -1.817 1.516 1.00 0.00 H new ATOM 0 HE1 TYR C 86 3.066 -1.345 6.335 1.00 0.00 H new ATOM 0 HE2 TYR C 86 2.751 -3.793 2.859 1.00 0.00 H new ATOM 0 HH TYR C 86 4.156 -4.070 5.281 1.00 0.00 H new ATOM 1307 N THR C 87 -0.767 1.843 0.113 1.00 0.00 N ATOM 1308 CA THR C 87 -0.987 2.556 -1.163 1.00 0.00 C ATOM 1309 C THR C 87 -2.361 3.209 -1.137 1.00 0.00 C ATOM 1310 O THR C 87 -2.563 4.295 -1.680 1.00 0.00 O ATOM 1311 CB THR C 87 -0.964 1.696 -2.461 1.00 0.00 C ATOM 1312 OG1 THR C 87 -1.999 0.723 -2.423 1.00 0.00 O ATOM 1313 CG2 THR C 87 0.373 1.026 -2.736 1.00 0.00 C ATOM 0 H THR C 87 -1.617 1.729 0.665 1.00 0.00 H new ATOM 0 HA THR C 87 -0.145 3.246 -1.216 1.00 0.00 H new ATOM 0 HB THR C 87 -1.129 2.391 -3.285 1.00 0.00 H new ATOM 0 HG1 THR C 87 -2.254 0.552 -1.492 1.00 0.00 H new ATOM 0 HG21 THR C 87 0.307 0.446 -3.657 1.00 0.00 H new ATOM 0 HG22 THR C 87 1.146 1.787 -2.841 1.00 0.00 H new ATOM 0 HG23 THR C 87 0.625 0.364 -1.908 1.00 0.00 H new