USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 78 SER OG : rot 180:sc= 0.0405 USER MOD Set 1.2: C 80 THR OG1 : rot 180:sc= 0.0295 USER MOD Set 2.1: C 51 SER OG : rot 180:sc= 0.495 USER MOD Set 2.2: C 54 THR OG1 : rot 112:sc= 0.482 USER MOD Single : C 13 TYR OH : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 20 TYR OH : rot 180:sc= 0 USER MOD Single : C 22 SER OG : rot 180:sc= -0.0911 USER MOD Single : C 27 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0.796) USER MOD Single : C 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 TYR OH : rot 180:sc= 0 USER MOD Single : C 33 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.43) USER MOD Single : C 36 SER OG : rot 81:sc= 1.32 USER MOD Single : C 38 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.0061) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl 164:sc= -0.0537 (180deg=-0.433) USER MOD Single : C 53 GLN : amide:sc= -0.0164 K(o=-0.016,f=-1.2) USER MOD Single : C 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 180:sc= -0.0497 USER MOD Single : C 70 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.64) USER MOD Single : C 71 TYR OH : rot 180:sc= 0 USER MOD Single : C 76 TYR OH : rot 180:sc= 0 USER MOD Single : C 77 MET CE :methyl -162:sc= -1.79! (180deg=-2.55!) USER MOD Single : C 79 LYS NZ :NH3+ 170:sc= -0.0167 (180deg=-0.148) USER MOD Single : C 85 ASN : amide:sc= 0.194 K(o=0.19,f=-4.1!) USER MOD Single : C 86 TYR OH : rot 180:sc= 0 USER MOD Single : C 87 THR OG1 : rot 11:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 3.624 7.926 -1.330 1.00 0.00 N ATOM 168 CA LEU C 12 3.120 7.999 0.033 1.00 0.00 C ATOM 169 C LEU C 12 1.665 7.552 0.056 1.00 0.00 C ATOM 170 O LEU C 12 0.781 8.258 -0.430 1.00 0.00 O ATOM 171 CB LEU C 12 3.239 9.424 0.593 1.00 0.00 C ATOM 172 CG LEU C 12 4.612 9.826 1.152 1.00 0.00 C ATOM 173 CD1 LEU C 12 5.007 8.922 2.308 1.00 0.00 C ATOM 174 CD2 LEU C 12 5.682 9.802 0.071 1.00 0.00 C ATOM 0 HA LEU C 12 3.720 7.340 0.661 1.00 0.00 H new ATOM 0 HB2 LEU C 12 2.974 10.125 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU C 12 2.500 9.543 1.385 1.00 0.00 H new ATOM 0 HG LEU C 12 4.531 10.849 1.520 1.00 0.00 H new ATOM 0 HD11 LEU C 12 5.983 9.224 2.689 1.00 0.00 H new ATOM 0 HD12 LEU C 12 4.266 9.003 3.103 1.00 0.00 H new ATOM 0 HD13 LEU C 12 5.056 7.890 1.962 1.00 0.00 H new ATOM 0 HD21 LEU C 12 6.641 10.092 0.501 1.00 0.00 H new ATOM 0 HD22 LEU C 12 5.759 8.796 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU C 12 5.414 10.501 -0.722 1.00 0.00 H new ATOM 186 N TYR C 13 1.424 6.378 0.611 1.00 0.00 N ATOM 187 CA TYR C 13 0.097 5.771 0.588 1.00 0.00 C ATOM 188 C TYR C 13 -0.212 5.100 1.927 1.00 0.00 C ATOM 189 O TYR C 13 0.455 5.396 2.920 1.00 0.00 O ATOM 190 CB TYR C 13 0.018 4.780 -0.557 1.00 0.00 C ATOM 191 CG TYR C 13 0.074 5.425 -1.926 1.00 0.00 C ATOM 192 CD1 TYR C 13 -1.006 6.148 -2.417 1.00 0.00 C ATOM 193 CD2 TYR C 13 1.204 5.308 -2.727 1.00 0.00 C ATOM 194 CE1 TYR C 13 -0.961 6.738 -3.666 1.00 0.00 C ATOM 195 CE2 TYR C 13 1.255 5.894 -3.976 1.00 0.00 C ATOM 196 CZ TYR C 13 0.172 6.607 -4.440 1.00 0.00 C ATOM 197 OH TYR C 13 0.223 7.196 -5.686 1.00 0.00 O ATOM 0 H TYR C 13 2.132 5.819 1.087 1.00 0.00 H new ATOM 0 HA TYR C 13 -0.654 6.546 0.432 1.00 0.00 H new ATOM 0 HB2 TYR C 13 0.838 4.068 -0.467 1.00 0.00 H new ATOM 0 HB3 TYR C 13 -0.908 4.212 -0.471 1.00 0.00 H new ATOM 0 HD1 TYR C 13 -1.895 6.251 -1.813 1.00 0.00 H new ATOM 0 HD2 TYR C 13 2.055 4.750 -2.367 1.00 0.00 H new ATOM 0 HE1 TYR C 13 -1.808 7.298 -4.033 1.00 0.00 H new ATOM 0 HE2 TYR C 13 2.140 5.794 -4.586 1.00 0.00 H new ATOM 0 HH TYR C 13 1.091 7.009 -6.101 1.00 0.00 H new ATOM 207 N LYS C 14 -1.196 4.188 1.977 1.00 0.00 N ATOM 208 CA LYS C 14 -1.750 3.799 3.261 1.00 0.00 C ATOM 209 C LYS C 14 -1.773 2.295 3.418 1.00 0.00 C ATOM 210 O LYS C 14 -2.190 1.564 2.518 1.00 0.00 O ATOM 211 CB LYS C 14 -3.155 4.381 3.441 1.00 0.00 C ATOM 212 CG LYS C 14 -4.150 3.951 2.375 1.00 0.00 C ATOM 213 CD LYS C 14 -5.520 4.573 2.604 1.00 0.00 C ATOM 214 CE LYS C 14 -6.112 4.170 3.949 1.00 0.00 C ATOM 215 NZ LYS C 14 -7.443 4.792 4.185 1.00 0.00 N ATOM 0 H LYS C 14 -1.606 3.725 1.166 1.00 0.00 H new ATOM 0 HA LYS C 14 -1.104 4.205 4.039 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -3.536 4.085 4.418 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -3.088 5.469 3.442 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -3.778 4.240 1.392 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -4.238 2.865 2.376 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -5.438 5.659 2.555 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -6.195 4.268 1.805 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -6.207 3.085 3.992 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -5.429 4.462 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -7.808 4.490 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -7.350 5.828 4.170 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -8.103 4.493 3.439 1.00 0.00 H new ATOM 229 N ASP C 15 -1.306 1.852 4.571 1.00 0.00 N ATOM 230 CA ASP C 15 -1.220 0.434 4.880 1.00 0.00 C ATOM 231 C ASP C 15 -2.529 -0.098 5.472 1.00 0.00 C ATOM 232 O ASP C 15 -3.605 0.454 5.224 1.00 0.00 O ATOM 233 CB ASP C 15 -0.018 0.146 5.802 1.00 0.00 C ATOM 234 CG ASP C 15 -0.267 0.359 7.288 1.00 0.00 C ATOM 235 OD1 ASP C 15 -1.272 0.998 7.666 1.00 0.00 O ATOM 236 OD2 ASP C 15 0.550 -0.146 8.088 1.00 0.00 O ATOM 0 H ASP C 15 -0.976 2.462 5.319 1.00 0.00 H new ATOM 0 HA ASP C 15 -1.057 -0.101 3.944 1.00 0.00 H new ATOM 0 HB2 ASP C 15 0.296 -0.886 5.648 1.00 0.00 H new ATOM 0 HB3 ASP C 15 0.813 0.781 5.496 1.00 0.00 H new ATOM 241 N ALA C 16 -2.428 -1.148 6.274 1.00 0.00 N ATOM 242 CA ALA C 16 -3.591 -1.916 6.698 1.00 0.00 C ATOM 243 C ALA C 16 -4.479 -1.130 7.659 1.00 0.00 C ATOM 244 O ALA C 16 -5.696 -1.094 7.494 1.00 0.00 O ATOM 245 CB ALA C 16 -3.143 -3.233 7.347 1.00 0.00 C ATOM 0 H ALA C 16 -1.543 -1.491 6.648 1.00 0.00 H new ATOM 0 HA ALA C 16 -4.184 -2.131 5.809 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -4.019 -3.800 7.661 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -2.571 -3.818 6.626 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -2.520 -3.017 8.215 1.00 0.00 H new ATOM 251 N ASP C 17 -3.881 -0.480 8.646 1.00 0.00 N ATOM 252 CA ASP C 17 -4.661 0.157 9.701 1.00 0.00 C ATOM 253 C ASP C 17 -4.620 1.668 9.590 1.00 0.00 C ATOM 254 O ASP C 17 -5.151 2.382 10.441 1.00 0.00 O ATOM 255 CB ASP C 17 -4.175 -0.285 11.078 1.00 0.00 C ATOM 256 CG ASP C 17 -2.715 0.027 11.321 1.00 0.00 C ATOM 257 OD1 ASP C 17 -1.860 -0.772 10.881 1.00 0.00 O ATOM 258 OD2 ASP C 17 -2.416 1.055 11.963 1.00 0.00 O ATOM 0 H ASP C 17 -2.870 -0.379 8.740 1.00 0.00 H new ATOM 0 HA ASP C 17 -5.696 -0.161 9.576 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -4.777 0.205 11.843 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -4.334 -1.358 11.185 1.00 0.00 H new ATOM 263 N GLY C 18 -3.983 2.151 8.544 1.00 0.00 N ATOM 264 CA GLY C 18 -4.000 3.573 8.268 1.00 0.00 C ATOM 265 C GLY C 18 -2.668 4.233 8.533 1.00 0.00 C ATOM 266 O GLY C 18 -2.598 5.432 8.801 1.00 0.00 O ATOM 0 H GLY C 18 -3.453 1.589 7.878 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -4.280 3.734 7.227 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -4.765 4.049 8.881 1.00 0.00 H new ATOM 270 N VAL C 19 -1.616 3.447 8.466 1.00 0.00 N ATOM 271 CA VAL C 19 -0.265 3.947 8.627 1.00 0.00 C ATOM 272 C VAL C 19 0.262 4.426 7.283 1.00 0.00 C ATOM 273 O VAL C 19 0.103 3.744 6.270 1.00 0.00 O ATOM 274 CB VAL C 19 0.656 2.842 9.193 1.00 0.00 C ATOM 275 CG1 VAL C 19 2.118 3.270 9.163 1.00 0.00 C ATOM 276 CG2 VAL C 19 0.242 2.490 10.612 1.00 0.00 C ATOM 0 H VAL C 19 -1.671 2.442 8.298 1.00 0.00 H new ATOM 0 HA VAL C 19 -0.276 4.780 9.330 1.00 0.00 H new ATOM 0 HB VAL C 19 0.551 1.960 8.561 1.00 0.00 H new ATOM 0 HG11 VAL C 19 2.739 2.471 9.568 1.00 0.00 H new ATOM 0 HG12 VAL C 19 2.416 3.476 8.135 1.00 0.00 H new ATOM 0 HG13 VAL C 19 2.246 4.170 9.765 1.00 0.00 H new ATOM 0 HG21 VAL C 19 0.898 1.711 11.000 1.00 0.00 H new ATOM 0 HG22 VAL C 19 0.318 3.375 11.243 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -0.787 2.131 10.612 1.00 0.00 H new ATOM 286 N TYR C 20 0.856 5.610 7.264 1.00 0.00 N ATOM 287 CA TYR C 20 1.435 6.128 6.048 1.00 0.00 C ATOM 288 C TYR C 20 2.781 5.502 5.815 1.00 0.00 C ATOM 289 O TYR C 20 3.578 5.308 6.737 1.00 0.00 O ATOM 290 CB TYR C 20 1.576 7.640 6.081 1.00 0.00 C ATOM 291 CG TYR C 20 0.738 8.352 5.049 1.00 0.00 C ATOM 292 CD1 TYR C 20 1.066 8.280 3.704 1.00 0.00 C ATOM 293 CD2 TYR C 20 -0.378 9.095 5.413 1.00 0.00 C ATOM 294 CE1 TYR C 20 0.310 8.923 2.751 1.00 0.00 C ATOM 295 CE2 TYR C 20 -1.141 9.744 4.461 1.00 0.00 C ATOM 296 CZ TYR C 20 -0.792 9.653 3.130 1.00 0.00 C ATOM 297 OH TYR C 20 -1.543 10.298 2.173 1.00 0.00 O ATOM 0 H TYR C 20 0.946 6.222 8.075 1.00 0.00 H new ATOM 0 HA TYR C 20 0.759 5.875 5.231 1.00 0.00 H new ATOM 0 HB2 TYR C 20 1.299 8.000 7.072 1.00 0.00 H new ATOM 0 HB3 TYR C 20 2.623 7.901 5.928 1.00 0.00 H new ATOM 0 HD1 TYR C 20 1.930 7.709 3.399 1.00 0.00 H new ATOM 0 HD2 TYR C 20 -0.653 9.166 6.455 1.00 0.00 H new ATOM 0 HE1 TYR C 20 0.581 8.855 1.708 1.00 0.00 H new ATOM 0 HE2 TYR C 20 -2.006 10.319 4.758 1.00 0.00 H new ATOM 0 HH TYR C 20 -2.287 10.768 2.603 1.00 0.00 H new ATOM 307 N VAL C 21 3.019 5.213 4.572 1.00 0.00 N ATOM 308 CA VAL C 21 4.210 4.489 4.152 1.00 0.00 C ATOM 309 C VAL C 21 4.823 5.150 2.927 1.00 0.00 C ATOM 310 O VAL C 21 4.121 5.719 2.089 1.00 0.00 O ATOM 311 CB VAL C 21 3.902 2.994 3.821 1.00 0.00 C ATOM 312 CG1 VAL C 21 3.060 2.309 4.902 1.00 0.00 C ATOM 313 CG2 VAL C 21 3.211 2.863 2.471 1.00 0.00 C ATOM 0 H VAL C 21 2.397 5.469 3.805 1.00 0.00 H new ATOM 0 HA VAL C 21 4.911 4.518 4.986 1.00 0.00 H new ATOM 0 HB VAL C 21 4.866 2.487 3.784 1.00 0.00 H new ATOM 0 HG11 VAL C 21 2.877 1.273 4.618 1.00 0.00 H new ATOM 0 HG12 VAL C 21 3.595 2.337 5.851 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.108 2.830 5.006 1.00 0.00 H new ATOM 0 HG21 VAL C 21 3.009 1.812 2.266 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.272 3.417 2.487 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.857 3.267 1.691 1.00 0.00 H new ATOM 323 N SER C 22 6.139 5.104 2.861 1.00 0.00 N ATOM 324 CA SER C 22 6.861 5.524 1.680 1.00 0.00 C ATOM 325 C SER C 22 7.369 4.284 0.965 1.00 0.00 C ATOM 326 O SER C 22 7.958 3.408 1.596 1.00 0.00 O ATOM 327 CB SER C 22 8.033 6.423 2.071 1.00 0.00 C ATOM 328 OG SER C 22 7.627 7.410 3.005 1.00 0.00 O ATOM 0 H SER C 22 6.734 4.776 3.622 1.00 0.00 H new ATOM 0 HA SER C 22 6.202 6.091 1.022 1.00 0.00 H new ATOM 0 HB2 SER C 22 8.832 5.819 2.500 1.00 0.00 H new ATOM 0 HB3 SER C 22 8.439 6.904 1.181 1.00 0.00 H new ATOM 0 HG SER C 22 8.394 7.972 3.241 1.00 0.00 H new ATOM 334 N ALA C 23 7.152 4.202 -0.332 1.00 0.00 N ATOM 335 CA ALA C 23 7.511 3.006 -1.069 1.00 0.00 C ATOM 336 C ALA C 23 8.761 3.233 -1.893 1.00 0.00 C ATOM 337 O ALA C 23 8.799 4.075 -2.787 1.00 0.00 O ATOM 338 CB ALA C 23 6.358 2.557 -1.950 1.00 0.00 C ATOM 0 H ALA C 23 6.732 4.942 -0.894 1.00 0.00 H new ATOM 0 HA ALA C 23 7.722 2.214 -0.351 1.00 0.00 H new ATOM 0 HB1 ALA C 23 6.646 1.658 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA C 23 5.488 2.342 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA C 23 6.112 3.348 -2.658 1.00 0.00 H new ATOM 344 N LEU C 24 9.785 2.481 -1.558 1.00 0.00 N ATOM 345 CA LEU C 24 11.053 2.535 -2.256 1.00 0.00 C ATOM 346 C LEU C 24 11.093 1.421 -3.302 1.00 0.00 C ATOM 347 O LEU C 24 11.110 0.238 -2.953 1.00 0.00 O ATOM 348 CB LEU C 24 12.224 2.381 -1.267 1.00 0.00 C ATOM 349 CG LEU C 24 12.328 3.449 -0.159 1.00 0.00 C ATOM 350 CD1 LEU C 24 11.289 3.239 0.933 1.00 0.00 C ATOM 351 CD2 LEU C 24 13.726 3.454 0.440 1.00 0.00 C ATOM 0 H LEU C 24 9.763 1.811 -0.790 1.00 0.00 H new ATOM 0 HA LEU C 24 11.153 3.503 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU C 24 12.145 1.403 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU C 24 13.154 2.386 -1.835 1.00 0.00 H new ATOM 0 HG LEU C 24 12.130 4.417 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU C 24 11.398 4.013 1.693 1.00 0.00 H new ATOM 0 HD12 LEU C 24 10.290 3.294 0.500 1.00 0.00 H new ATOM 0 HD13 LEU C 24 11.434 2.260 1.389 1.00 0.00 H new ATOM 0 HD21 LEU C 24 13.785 4.213 1.221 1.00 0.00 H new ATOM 0 HD22 LEU C 24 13.942 2.475 0.868 1.00 0.00 H new ATOM 0 HD23 LEU C 24 14.455 3.678 -0.339 1.00 0.00 H new ATOM 363 N PRO C 25 11.074 1.773 -4.597 1.00 0.00 N ATOM 364 CA PRO C 25 11.048 0.789 -5.680 1.00 0.00 C ATOM 365 C PRO C 25 12.391 0.087 -5.861 1.00 0.00 C ATOM 366 O PRO C 25 13.386 0.717 -6.228 1.00 0.00 O ATOM 367 CB PRO C 25 10.710 1.618 -6.930 1.00 0.00 C ATOM 368 CG PRO C 25 10.372 2.989 -6.437 1.00 0.00 C ATOM 369 CD PRO C 25 11.072 3.146 -5.121 1.00 0.00 C ATOM 0 HA PRO C 25 10.331 -0.006 -5.477 1.00 0.00 H new ATOM 0 HB2 PRO C 25 11.555 1.648 -7.618 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.872 1.181 -7.473 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.701 3.749 -7.146 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.295 3.106 -6.321 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.083 3.536 -5.243 1.00 0.00 H new ATOM 0 HD3 PRO C 25 10.543 3.832 -4.459 1.00 0.00 H new ATOM 377 N ILE C 26 12.417 -1.215 -5.596 1.00 0.00 N ATOM 378 CA ILE C 26 13.625 -2.005 -5.781 1.00 0.00 C ATOM 379 C ILE C 26 13.796 -2.335 -7.255 1.00 0.00 C ATOM 380 O ILE C 26 13.067 -3.160 -7.806 1.00 0.00 O ATOM 381 CB ILE C 26 13.594 -3.325 -4.978 1.00 0.00 C ATOM 382 CG1 ILE C 26 13.247 -3.062 -3.508 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.939 -4.034 -5.093 1.00 0.00 C ATOM 384 CD1 ILE C 26 13.163 -4.320 -2.662 1.00 0.00 C ATOM 0 H ILE C 26 11.615 -1.744 -5.253 1.00 0.00 H new ATOM 0 HA ILE C 26 14.460 -1.407 -5.416 1.00 0.00 H new ATOM 0 HB ILE C 26 12.819 -3.968 -5.395 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.998 -2.398 -3.081 1.00 0.00 H new ATOM 0 HG13 ILE C 26 12.293 -2.538 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.910 -4.964 -4.525 1.00 0.00 H new ATOM 0 HG22 ILE C 26 15.145 -4.255 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.725 -3.391 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE C 26 12.914 -4.052 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE C 26 12.391 -4.977 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE C 26 14.123 -4.835 -2.680 1.00 0.00 H new ATOM 396 N LYS C 27 14.757 -1.684 -7.886 1.00 0.00 N ATOM 397 CA LYS C 27 14.979 -1.843 -9.311 1.00 0.00 C ATOM 398 C LYS C 27 15.662 -3.171 -9.617 1.00 0.00 C ATOM 399 O LYS C 27 15.132 -3.988 -10.366 1.00 0.00 O ATOM 400 CB LYS C 27 15.802 -0.667 -9.844 1.00 0.00 C ATOM 401 CG LYS C 27 16.263 -0.839 -11.284 1.00 0.00 C ATOM 402 CD LYS C 27 16.915 0.430 -11.805 1.00 0.00 C ATOM 403 CE LYS C 27 17.436 0.252 -13.222 1.00 0.00 C ATOM 404 NZ LYS C 27 18.451 -0.828 -13.307 1.00 0.00 N ATOM 0 H LYS C 27 15.400 -1.036 -7.430 1.00 0.00 H new ATOM 0 HA LYS C 27 14.012 -1.851 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS C 27 15.207 0.243 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS C 27 16.676 -0.530 -9.207 1.00 0.00 H new ATOM 0 HG2 LYS C 27 16.970 -1.667 -11.346 1.00 0.00 H new ATOM 0 HG3 LYS C 27 15.412 -1.099 -11.913 1.00 0.00 H new ATOM 0 HD2 LYS C 27 16.193 1.246 -11.782 1.00 0.00 H new ATOM 0 HD3 LYS C 27 17.737 0.713 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS C 27 16.605 0.022 -13.888 1.00 0.00 H new ATOM 0 HE3 LYS C 27 17.873 1.189 -13.569 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 19.072 -0.657 -14.123 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 19.019 -0.840 -12.436 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 17.974 -1.745 -13.421 1.00 0.00 H new ATOM 418 N ALA C 28 16.828 -3.390 -9.030 1.00 0.00 N ATOM 419 CA ALA C 28 17.583 -4.607 -9.282 1.00 0.00 C ATOM 420 C ALA C 28 18.530 -4.911 -8.132 1.00 0.00 C ATOM 421 O ALA C 28 18.814 -4.043 -7.303 1.00 0.00 O ATOM 422 CB ALA C 28 18.357 -4.492 -10.588 1.00 0.00 C ATOM 0 H ALA C 28 17.271 -2.743 -8.378 1.00 0.00 H new ATOM 0 HA ALA C 28 16.875 -5.431 -9.365 1.00 0.00 H new ATOM 0 HB1 ALA C 28 18.917 -5.411 -10.761 1.00 0.00 H new ATOM 0 HB2 ALA C 28 17.660 -4.330 -11.411 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.049 -3.652 -10.528 1.00 0.00 H new ATOM 428 N ILE C 29 19.005 -6.147 -8.088 1.00 0.00 N ATOM 429 CA ILE C 29 19.934 -6.589 -7.061 1.00 0.00 C ATOM 430 C ILE C 29 20.962 -7.532 -7.666 1.00 0.00 C ATOM 431 O ILE C 29 20.659 -8.290 -8.587 1.00 0.00 O ATOM 432 CB ILE C 29 19.196 -7.311 -5.891 1.00 0.00 C ATOM 433 CG1 ILE C 29 18.325 -6.336 -5.096 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.177 -7.998 -4.950 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.245 -7.018 -4.287 1.00 0.00 C ATOM 0 H ILE C 29 18.757 -6.870 -8.763 1.00 0.00 H new ATOM 0 HA ILE C 29 20.429 -5.705 -6.659 1.00 0.00 H new ATOM 0 HB ILE C 29 18.556 -8.069 -6.344 1.00 0.00 H new ATOM 0 HG12 ILE C 29 18.960 -5.757 -4.425 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.861 -5.630 -5.785 1.00 0.00 H new ATOM 0 HG21 ILE C 29 19.628 -8.490 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE C 29 20.753 -8.740 -5.503 1.00 0.00 H new ATOM 0 HG23 ILE C 29 20.853 -7.256 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.665 -6.268 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE C 29 16.587 -7.575 -4.954 1.00 0.00 H new ATOM 0 HD13 ILE C 29 17.703 -7.704 -3.574 1.00 0.00 H new ATOM 447 N LYS C 30 22.170 -7.479 -7.139 1.00 0.00 N ATOM 448 CA LYS C 30 23.230 -8.353 -7.562 1.00 0.00 C ATOM 449 C LYS C 30 23.903 -8.916 -6.328 1.00 0.00 C ATOM 450 O LYS C 30 24.024 -8.242 -5.304 1.00 0.00 O ATOM 451 CB LYS C 30 24.246 -7.638 -8.459 1.00 0.00 C ATOM 452 CG LYS C 30 24.962 -6.480 -7.787 1.00 0.00 C ATOM 453 CD LYS C 30 26.123 -5.970 -8.623 1.00 0.00 C ATOM 454 CE LYS C 30 27.252 -6.987 -8.691 1.00 0.00 C ATOM 455 NZ LYS C 30 28.410 -6.482 -9.475 1.00 0.00 N ATOM 0 H LYS C 30 22.438 -6.824 -6.404 1.00 0.00 H new ATOM 0 HA LYS C 30 22.806 -9.158 -8.162 1.00 0.00 H new ATOM 0 HB2 LYS C 30 24.987 -8.362 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS C 30 23.733 -7.268 -9.347 1.00 0.00 H new ATOM 0 HG2 LYS C 30 24.256 -5.668 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS C 30 25.329 -6.797 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS C 30 25.775 -5.744 -9.631 1.00 0.00 H new ATOM 0 HD3 LYS C 30 26.497 -5.038 -8.198 1.00 0.00 H new ATOM 0 HE2 LYS C 30 27.578 -7.234 -7.681 1.00 0.00 H new ATOM 0 HE3 LYS C 30 26.883 -7.908 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 29.157 -7.206 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 28.105 -6.270 -10.447 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 28.779 -5.617 -9.031 1.00 0.00 H new ATOM 469 N TYR C 31 24.317 -10.145 -6.437 1.00 0.00 N ATOM 470 CA TYR C 31 24.859 -10.879 -5.312 1.00 0.00 C ATOM 471 C TYR C 31 26.351 -11.085 -5.472 1.00 0.00 C ATOM 472 O TYR C 31 26.813 -11.623 -6.478 1.00 0.00 O ATOM 473 CB TYR C 31 24.155 -12.228 -5.169 1.00 0.00 C ATOM 474 CG TYR C 31 22.668 -12.110 -4.919 1.00 0.00 C ATOM 475 CD1 TYR C 31 22.167 -12.010 -3.628 1.00 0.00 C ATOM 476 CD2 TYR C 31 21.767 -12.095 -5.976 1.00 0.00 C ATOM 477 CE1 TYR C 31 20.810 -11.896 -3.398 1.00 0.00 C ATOM 478 CE2 TYR C 31 20.410 -11.982 -5.753 1.00 0.00 C ATOM 479 CZ TYR C 31 19.936 -11.883 -4.465 1.00 0.00 C ATOM 480 OH TYR C 31 18.583 -11.768 -4.244 1.00 0.00 O ATOM 0 H TYR C 31 24.292 -10.675 -7.308 1.00 0.00 H new ATOM 0 HA TYR C 31 24.687 -10.293 -4.409 1.00 0.00 H new ATOM 0 HB2 TYR C 31 24.318 -12.811 -6.075 1.00 0.00 H new ATOM 0 HB3 TYR C 31 24.611 -12.781 -4.348 1.00 0.00 H new ATOM 0 HD1 TYR C 31 22.849 -12.022 -2.791 1.00 0.00 H new ATOM 0 HD2 TYR C 31 22.134 -12.173 -6.989 1.00 0.00 H new ATOM 0 HE1 TYR C 31 20.435 -11.817 -2.388 1.00 0.00 H new ATOM 0 HE2 TYR C 31 19.723 -11.971 -6.586 1.00 0.00 H new ATOM 0 HH TYR C 31 18.110 -11.774 -5.102 1.00 0.00 H new ATOM 490 N ALA C 32 27.094 -10.638 -4.482 1.00 0.00 N ATOM 491 CA ALA C 32 28.519 -10.815 -4.456 1.00 0.00 C ATOM 492 C ALA C 32 28.854 -12.109 -3.739 1.00 0.00 C ATOM 493 O ALA C 32 28.010 -12.711 -3.068 1.00 0.00 O ATOM 494 CB ALA C 32 29.184 -9.629 -3.775 1.00 0.00 C ATOM 0 H ALA C 32 26.720 -10.141 -3.673 1.00 0.00 H new ATOM 0 HA ALA C 32 28.897 -10.872 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA C 32 30.264 -9.776 -3.762 1.00 0.00 H new ATOM 0 HB2 ALA C 32 28.948 -8.716 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA C 32 28.817 -9.544 -2.752 1.00 0.00 H new ATOM 500 N ASN C 33 30.099 -12.504 -3.867 1.00 0.00 N ATOM 501 CA ASN C 33 30.561 -13.817 -3.425 1.00 0.00 C ATOM 502 C ASN C 33 30.675 -13.902 -1.908 1.00 0.00 C ATOM 503 O ASN C 33 30.853 -14.986 -1.356 1.00 0.00 O ATOM 504 CB ASN C 33 31.915 -14.135 -4.065 1.00 0.00 C ATOM 505 CG ASN C 33 32.967 -13.107 -3.736 1.00 0.00 C ATOM 506 OD1 ASN C 33 33.118 -12.107 -4.437 1.00 0.00 O ATOM 507 ND2 ASN C 33 33.703 -13.344 -2.679 1.00 0.00 N ATOM 0 H ASN C 33 30.831 -11.927 -4.282 1.00 0.00 H new ATOM 0 HA ASN C 33 29.819 -14.550 -3.742 1.00 0.00 H new ATOM 0 HB2 ASN C 33 32.251 -15.115 -3.727 1.00 0.00 H new ATOM 0 HB3 ASN C 33 31.796 -14.195 -5.147 1.00 0.00 H new ATOM 0 HD21 ASN C 33 34.435 -12.687 -2.409 1.00 0.00 H new ATOM 0 HD22 ASN C 33 33.544 -14.186 -2.125 1.00 0.00 H new ATOM 514 N ASP C 34 30.578 -12.763 -1.239 1.00 0.00 N ATOM 515 CA ASP C 34 30.679 -12.723 0.216 1.00 0.00 C ATOM 516 C ASP C 34 29.297 -12.807 0.851 1.00 0.00 C ATOM 517 O ASP C 34 29.165 -12.887 2.074 1.00 0.00 O ATOM 518 CB ASP C 34 31.382 -11.445 0.674 1.00 0.00 C ATOM 519 CG ASP C 34 30.510 -10.218 0.518 1.00 0.00 C ATOM 520 OD1 ASP C 34 30.232 -9.552 1.534 1.00 0.00 O ATOM 521 OD2 ASP C 34 30.092 -9.920 -0.618 1.00 0.00 O ATOM 0 H ASP C 34 30.430 -11.854 -1.678 1.00 0.00 H new ATOM 0 HA ASP C 34 31.268 -13.582 0.536 1.00 0.00 H new ATOM 0 HB2 ASP C 34 31.674 -11.549 1.719 1.00 0.00 H new ATOM 0 HB3 ASP C 34 32.298 -11.312 0.099 1.00 0.00 H new ATOM 526 N GLY C 35 28.269 -12.777 0.015 1.00 0.00 N ATOM 527 CA GLY C 35 26.913 -12.896 0.507 1.00 0.00 C ATOM 528 C GLY C 35 26.161 -11.582 0.478 1.00 0.00 C ATOM 529 O GLY C 35 24.932 -11.563 0.564 1.00 0.00 O ATOM 0 H GLY C 35 28.351 -12.672 -0.996 1.00 0.00 H new ATOM 0 HA2 GLY C 35 26.376 -13.630 -0.094 1.00 0.00 H new ATOM 0 HA3 GLY C 35 26.934 -13.275 1.529 1.00 0.00 H new ATOM 533 N SER C 36 26.892 -10.483 0.357 1.00 0.00 N ATOM 534 CA SER C 36 26.279 -9.164 0.359 1.00 0.00 C ATOM 535 C SER C 36 25.508 -8.918 -0.934 1.00 0.00 C ATOM 536 O SER C 36 25.944 -9.316 -2.021 1.00 0.00 O ATOM 537 CB SER C 36 27.342 -8.084 0.564 1.00 0.00 C ATOM 538 OG SER C 36 28.012 -8.259 1.803 1.00 0.00 O ATOM 0 H SER C 36 27.907 -10.479 0.257 1.00 0.00 H new ATOM 0 HA SER C 36 25.571 -9.118 1.187 1.00 0.00 H new ATOM 0 HB2 SER C 36 28.064 -8.119 -0.252 1.00 0.00 H new ATOM 0 HB3 SER C 36 26.876 -7.099 0.535 1.00 0.00 H new ATOM 0 HG SER C 36 28.706 -8.944 1.706 1.00 0.00 H new ATOM 544 N ALA C 37 24.359 -8.270 -0.809 1.00 0.00 N ATOM 545 CA ALA C 37 23.501 -8.009 -1.953 1.00 0.00 C ATOM 546 C ALA C 37 23.434 -6.521 -2.260 1.00 0.00 C ATOM 547 O ALA C 37 23.026 -5.722 -1.416 1.00 0.00 O ATOM 548 CB ALA C 37 22.105 -8.563 -1.704 1.00 0.00 C ATOM 0 H ALA C 37 23.999 -7.915 0.077 1.00 0.00 H new ATOM 0 HA ALA C 37 23.930 -8.512 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA C 37 21.473 -8.360 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA C 37 22.164 -9.639 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA C 37 21.676 -8.087 -0.822 1.00 0.00 H new ATOM 554 N ASN C 38 23.849 -6.158 -3.466 1.00 0.00 N ATOM 555 CA ASN C 38 23.802 -4.772 -3.916 1.00 0.00 C ATOM 556 C ASN C 38 22.419 -4.444 -4.441 1.00 0.00 C ATOM 557 O ASN C 38 21.950 -5.068 -5.392 1.00 0.00 O ATOM 558 CB ASN C 38 24.854 -4.530 -5.004 1.00 0.00 C ATOM 559 CG ASN C 38 24.732 -3.166 -5.663 1.00 0.00 C ATOM 560 OD1 ASN C 38 25.324 -2.189 -5.207 1.00 0.00 O ATOM 561 ND2 ASN C 38 23.977 -3.090 -6.749 1.00 0.00 N ATOM 0 H ASN C 38 24.225 -6.809 -4.155 1.00 0.00 H new ATOM 0 HA ASN C 38 24.022 -4.120 -3.070 1.00 0.00 H new ATOM 0 HB2 ASN C 38 25.848 -4.628 -4.567 1.00 0.00 H new ATOM 0 HB3 ASN C 38 24.763 -5.304 -5.766 1.00 0.00 H new ATOM 0 HD21 ASN C 38 23.872 -2.200 -7.236 1.00 0.00 H new ATOM 0 HD22 ASN C 38 23.501 -3.922 -7.098 1.00 0.00 H new ATOM 568 N ALA C 39 21.768 -3.478 -3.813 1.00 0.00 N ATOM 569 CA ALA C 39 20.419 -3.112 -4.200 1.00 0.00 C ATOM 570 C ALA C 39 20.353 -1.707 -4.770 1.00 0.00 C ATOM 571 O ALA C 39 20.783 -0.749 -4.132 1.00 0.00 O ATOM 572 CB ALA C 39 19.465 -3.252 -3.026 1.00 0.00 C ATOM 0 H ALA C 39 22.151 -2.937 -3.038 1.00 0.00 H new ATOM 0 HA ALA C 39 20.112 -3.801 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA C 39 18.459 -2.972 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA C 39 19.463 -4.286 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA C 39 19.787 -2.599 -2.215 1.00 0.00 H new ATOM 578 N GLU C 40 19.815 -1.600 -5.976 1.00 0.00 N ATOM 579 CA GLU C 40 19.623 -0.312 -6.619 1.00 0.00 C ATOM 580 C GLU C 40 18.139 0.050 -6.632 1.00 0.00 C ATOM 581 O GLU C 40 17.294 -0.775 -6.988 1.00 0.00 O ATOM 582 CB GLU C 40 20.200 -0.325 -8.037 1.00 0.00 C ATOM 583 CG GLU C 40 19.658 -1.436 -8.917 1.00 0.00 C ATOM 584 CD GLU C 40 20.324 -1.482 -10.271 1.00 0.00 C ATOM 585 OE1 GLU C 40 19.975 -0.654 -11.136 1.00 0.00 O ATOM 586 OE2 GLU C 40 21.197 -2.352 -10.479 1.00 0.00 O ATOM 0 H GLU C 40 19.502 -2.397 -6.531 1.00 0.00 H new ATOM 0 HA GLU C 40 20.157 0.449 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU C 40 19.991 0.634 -8.511 1.00 0.00 H new ATOM 0 HB3 GLU C 40 21.284 -0.421 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU C 40 19.798 -2.393 -8.415 1.00 0.00 H new ATOM 0 HG3 GLU C 40 18.585 -1.299 -9.049 1.00 0.00 H new ATOM 593 N PHE C 41 17.818 1.271 -6.220 1.00 0.00 N ATOM 594 CA PHE C 41 16.434 1.710 -6.147 1.00 0.00 C ATOM 595 C PHE C 41 16.131 2.712 -7.251 1.00 0.00 C ATOM 596 O PHE C 41 17.028 3.397 -7.746 1.00 0.00 O ATOM 597 CB PHE C 41 16.147 2.343 -4.784 1.00 0.00 C ATOM 598 CG PHE C 41 16.317 1.399 -3.626 1.00 0.00 C ATOM 599 CD1 PHE C 41 15.264 0.607 -3.199 1.00 0.00 C ATOM 600 CD2 PHE C 41 17.532 1.306 -2.964 1.00 0.00 C ATOM 601 CE1 PHE C 41 15.418 -0.261 -2.135 1.00 0.00 C ATOM 602 CE2 PHE C 41 17.692 0.440 -1.899 1.00 0.00 C ATOM 603 CZ PHE C 41 16.634 -0.344 -1.485 1.00 0.00 C ATOM 0 H PHE C 41 18.499 1.973 -5.932 1.00 0.00 H new ATOM 0 HA PHE C 41 15.794 0.837 -6.277 1.00 0.00 H new ATOM 0 HB2 PHE C 41 16.810 3.197 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE C 41 15.127 2.727 -4.780 1.00 0.00 H new ATOM 0 HD1 PHE C 41 14.311 0.669 -3.704 1.00 0.00 H new ATOM 0 HD2 PHE C 41 18.363 1.917 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE C 41 14.589 -0.873 -1.812 1.00 0.00 H new ATOM 0 HE2 PHE C 41 18.643 0.377 -1.391 1.00 0.00 H new ATOM 0 HZ PHE C 41 16.757 -1.022 -0.653 1.00 0.00 H new ATOM 613 N ASP C 42 14.866 2.797 -7.632 1.00 0.00 N ATOM 614 CA ASP C 42 14.434 3.744 -8.656 1.00 0.00 C ATOM 615 C ASP C 42 14.111 5.082 -8.022 1.00 0.00 C ATOM 616 O ASP C 42 12.952 5.459 -7.842 1.00 0.00 O ATOM 617 CB ASP C 42 13.217 3.222 -9.389 1.00 0.00 C ATOM 618 CG ASP C 42 12.876 4.038 -10.621 1.00 0.00 C ATOM 619 OD1 ASP C 42 11.846 4.744 -10.605 1.00 0.00 O ATOM 620 OD2 ASP C 42 13.628 3.968 -11.617 1.00 0.00 O ATOM 0 H ASP C 42 14.116 2.221 -7.248 1.00 0.00 H new ATOM 0 HA ASP C 42 15.247 3.869 -9.372 1.00 0.00 H new ATOM 0 HB2 ASP C 42 13.392 2.187 -9.682 1.00 0.00 H new ATOM 0 HB3 ASP C 42 12.363 3.222 -8.711 1.00 0.00 H new ATOM 625 N GLY C 43 15.159 5.764 -7.657 1.00 0.00 N ATOM 626 CA GLY C 43 15.050 7.075 -7.070 1.00 0.00 C ATOM 627 C GLY C 43 16.382 7.548 -6.535 1.00 0.00 C ATOM 628 O GLY C 43 17.407 6.899 -6.763 1.00 0.00 O ATOM 0 H GLY C 43 16.117 5.428 -7.757 1.00 0.00 H new ATOM 0 HA2 GLY C 43 14.684 7.781 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY C 43 14.318 7.055 -6.263 1.00 0.00 H new ATOM 632 N PRO C 44 16.404 8.670 -5.811 1.00 0.00 N ATOM 633 CA PRO C 44 17.626 9.219 -5.228 1.00 0.00 C ATOM 634 C PRO C 44 18.029 8.482 -3.955 1.00 0.00 C ATOM 635 O PRO C 44 18.267 9.096 -2.915 1.00 0.00 O ATOM 636 CB PRO C 44 17.260 10.680 -4.912 1.00 0.00 C ATOM 637 CG PRO C 44 15.856 10.874 -5.399 1.00 0.00 C ATOM 638 CD PRO C 44 15.246 9.508 -5.500 1.00 0.00 C ATOM 0 HA PRO C 44 18.478 9.124 -5.902 1.00 0.00 H new ATOM 0 HB2 PRO C 44 17.332 10.877 -3.842 1.00 0.00 H new ATOM 0 HB3 PRO C 44 17.943 11.369 -5.409 1.00 0.00 H new ATOM 0 HG2 PRO C 44 15.290 11.501 -4.710 1.00 0.00 H new ATOM 0 HG3 PRO C 44 15.847 11.375 -6.367 1.00 0.00 H new ATOM 0 HD2 PRO C 44 14.765 9.208 -4.569 1.00 0.00 H new ATOM 0 HD3 PRO C 44 14.487 9.459 -6.281 1.00 0.00 H new ATOM 646 N TYR C 45 18.091 7.162 -4.038 1.00 0.00 N ATOM 647 CA TYR C 45 18.445 6.347 -2.889 1.00 0.00 C ATOM 648 C TYR C 45 19.720 5.563 -3.154 1.00 0.00 C ATOM 649 O TYR C 45 20.334 5.707 -4.213 1.00 0.00 O ATOM 650 CB TYR C 45 17.304 5.392 -2.522 1.00 0.00 C ATOM 651 CG TYR C 45 16.051 6.096 -2.045 1.00 0.00 C ATOM 652 CD1 TYR C 45 15.899 6.459 -0.711 1.00 0.00 C ATOM 653 CD2 TYR C 45 15.026 6.407 -2.930 1.00 0.00 C ATOM 654 CE1 TYR C 45 14.764 7.113 -0.276 1.00 0.00 C ATOM 655 CE2 TYR C 45 13.886 7.060 -2.500 1.00 0.00 C ATOM 656 CZ TYR C 45 13.761 7.411 -1.172 1.00 0.00 C ATOM 657 OH TYR C 45 12.632 8.067 -0.741 1.00 0.00 O ATOM 0 H TYR C 45 17.901 6.633 -4.889 1.00 0.00 H new ATOM 0 HA TYR C 45 18.618 7.017 -2.047 1.00 0.00 H new ATOM 0 HB2 TYR C 45 17.059 4.782 -3.391 1.00 0.00 H new ATOM 0 HB3 TYR C 45 17.647 4.712 -1.742 1.00 0.00 H new ATOM 0 HD1 TYR C 45 16.682 6.225 -0.004 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.121 6.134 -3.971 1.00 0.00 H new ATOM 0 HE1 TYR C 45 14.663 7.390 0.763 1.00 0.00 H new ATOM 0 HE2 TYR C 45 13.098 7.294 -3.200 1.00 0.00 H new ATOM 0 HH TYR C 45 12.023 8.202 -1.497 1.00 0.00 H new ATOM 667 N ALA C 46 20.100 4.730 -2.200 1.00 0.00 N ATOM 668 CA ALA C 46 21.361 4.009 -2.261 1.00 0.00 C ATOM 669 C ALA C 46 21.382 2.938 -3.350 1.00 0.00 C ATOM 670 O ALA C 46 20.350 2.579 -3.934 1.00 0.00 O ATOM 671 CB ALA C 46 21.661 3.378 -0.909 1.00 0.00 C ATOM 0 H ALA C 46 19.547 4.535 -1.366 1.00 0.00 H new ATOM 0 HA ALA C 46 22.132 4.737 -2.516 1.00 0.00 H new ATOM 0 HB1 ALA C 46 22.607 2.839 -0.961 1.00 0.00 H new ATOM 0 HB2 ALA C 46 21.729 4.158 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA C 46 20.862 2.684 -0.646 1.00 0.00 H new ATOM 677 N ASP C 47 22.586 2.463 -3.623 1.00 0.00 N ATOM 678 CA ASP C 47 22.820 1.329 -4.500 1.00 0.00 C ATOM 679 C ASP C 47 24.073 0.616 -4.025 1.00 0.00 C ATOM 680 O ASP C 47 25.183 0.868 -4.492 1.00 0.00 O ATOM 681 CB ASP C 47 22.926 1.763 -5.975 1.00 0.00 C ATOM 682 CG ASP C 47 23.979 2.831 -6.228 1.00 0.00 C ATOM 683 OD1 ASP C 47 23.720 4.019 -5.926 1.00 0.00 O ATOM 684 OD2 ASP C 47 25.060 2.494 -6.753 1.00 0.00 O ATOM 0 H ASP C 47 23.441 2.861 -3.235 1.00 0.00 H new ATOM 0 HA ASP C 47 21.973 0.644 -4.453 1.00 0.00 H new ATOM 0 HB2 ASP C 47 23.155 0.889 -6.585 1.00 0.00 H new ATOM 0 HB3 ASP C 47 21.957 2.137 -6.304 1.00 0.00 H new ATOM 689 N GLN C 48 23.884 -0.276 -3.069 1.00 0.00 N ATOM 690 CA GLN C 48 24.996 -0.769 -2.268 1.00 0.00 C ATOM 691 C GLN C 48 24.750 -2.196 -1.828 1.00 0.00 C ATOM 692 O GLN C 48 23.603 -2.630 -1.721 1.00 0.00 O ATOM 693 CB GLN C 48 25.182 0.125 -1.036 1.00 0.00 C ATOM 694 CG GLN C 48 25.508 1.572 -1.380 1.00 0.00 C ATOM 695 CD GLN C 48 25.635 2.469 -0.165 1.00 0.00 C ATOM 696 OE1 GLN C 48 26.034 2.032 0.915 1.00 0.00 O ATOM 697 NE2 GLN C 48 25.305 3.739 -0.341 1.00 0.00 N ATOM 0 H GLN C 48 22.976 -0.674 -2.827 1.00 0.00 H new ATOM 0 HA GLN C 48 25.899 -0.745 -2.878 1.00 0.00 H new ATOM 0 HB2 GLN C 48 24.272 0.098 -0.437 1.00 0.00 H new ATOM 0 HB3 GLN C 48 25.982 -0.283 -0.418 1.00 0.00 H new ATOM 0 HG2 GLN C 48 26.441 1.602 -1.943 1.00 0.00 H new ATOM 0 HG3 GLN C 48 24.729 1.966 -2.033 1.00 0.00 H new ATOM 0 HE21 GLN C 48 24.979 4.060 -1.253 1.00 0.00 H new ATOM 0 HE22 GLN C 48 25.377 4.397 0.435 1.00 0.00 H new ATOM 706 N TYR C 49 25.831 -2.917 -1.567 1.00 0.00 N ATOM 707 CA TYR C 49 25.734 -4.292 -1.123 1.00 0.00 C ATOM 708 C TYR C 49 25.646 -4.359 0.398 1.00 0.00 C ATOM 709 O TYR C 49 26.591 -4.017 1.108 1.00 0.00 O ATOM 710 CB TYR C 49 26.909 -5.128 -1.658 1.00 0.00 C ATOM 711 CG TYR C 49 28.257 -4.436 -1.613 1.00 0.00 C ATOM 712 CD1 TYR C 49 29.074 -4.526 -0.494 1.00 0.00 C ATOM 713 CD2 TYR C 49 28.711 -3.698 -2.699 1.00 0.00 C ATOM 714 CE1 TYR C 49 30.304 -3.901 -0.458 1.00 0.00 C ATOM 715 CE2 TYR C 49 29.940 -3.070 -2.672 1.00 0.00 C ATOM 716 CZ TYR C 49 30.732 -3.174 -1.550 1.00 0.00 C ATOM 717 OH TYR C 49 31.958 -2.548 -1.516 1.00 0.00 O ATOM 0 H TYR C 49 26.785 -2.568 -1.657 1.00 0.00 H new ATOM 0 HA TYR C 49 24.818 -4.721 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR C 49 26.971 -6.051 -1.082 1.00 0.00 H new ATOM 0 HB3 TYR C 49 26.696 -5.410 -2.689 1.00 0.00 H new ATOM 0 HD1 TYR C 49 28.742 -5.094 0.362 1.00 0.00 H new ATOM 0 HD2 TYR C 49 28.092 -3.614 -3.580 1.00 0.00 H new ATOM 0 HE1 TYR C 49 30.928 -3.980 0.420 1.00 0.00 H new ATOM 0 HE2 TYR C 49 30.278 -2.501 -3.525 1.00 0.00 H new ATOM 0 HH TYR C 49 32.110 -2.080 -2.363 1.00 0.00 H new ATOM 727 N MET C 50 24.491 -4.780 0.889 1.00 0.00 N ATOM 728 CA MET C 50 24.257 -4.870 2.318 1.00 0.00 C ATOM 729 C MET C 50 24.769 -6.199 2.849 1.00 0.00 C ATOM 730 O MET C 50 24.738 -7.209 2.144 1.00 0.00 O ATOM 731 CB MET C 50 22.764 -4.714 2.621 1.00 0.00 C ATOM 732 CG MET C 50 22.204 -3.356 2.222 1.00 0.00 C ATOM 733 SD MET C 50 20.426 -3.216 2.498 1.00 0.00 S ATOM 734 CE MET C 50 20.333 -3.410 4.275 1.00 0.00 C ATOM 0 H MET C 50 23.698 -5.066 0.314 1.00 0.00 H new ATOM 0 HA MET C 50 24.798 -4.064 2.814 1.00 0.00 H new ATOM 0 HB2 MET C 50 22.211 -5.494 2.098 1.00 0.00 H new ATOM 0 HB3 MET C 50 22.599 -4.867 3.688 1.00 0.00 H new ATOM 0 HG2 MET C 50 22.716 -2.578 2.788 1.00 0.00 H new ATOM 0 HG3 MET C 50 22.418 -3.177 1.168 1.00 0.00 H new ATOM 0 HE1 MET C 50 19.359 -3.070 4.628 1.00 0.00 H new ATOM 0 HE2 MET C 50 20.466 -4.460 4.534 1.00 0.00 H new ATOM 0 HE3 MET C 50 21.117 -2.818 4.747 1.00 0.00 H new ATOM 744 N SER C 51 25.248 -6.177 4.088 1.00 0.00 N ATOM 745 CA SER C 51 25.792 -7.357 4.745 1.00 0.00 C ATOM 746 C SER C 51 24.829 -8.538 4.687 1.00 0.00 C ATOM 747 O SER C 51 23.619 -8.381 4.848 1.00 0.00 O ATOM 748 CB SER C 51 26.107 -7.015 6.197 1.00 0.00 C ATOM 749 OG SER C 51 25.226 -6.014 6.679 1.00 0.00 O ATOM 0 H SER C 51 25.269 -5.337 4.666 1.00 0.00 H new ATOM 0 HA SER C 51 26.700 -7.653 4.219 1.00 0.00 H new ATOM 0 HB2 SER C 51 26.021 -7.910 6.813 1.00 0.00 H new ATOM 0 HB3 SER C 51 27.138 -6.670 6.279 1.00 0.00 H new ATOM 0 HG SER C 51 25.443 -5.809 7.613 1.00 0.00 H new ATOM 755 N ALA C 52 25.393 -9.722 4.483 1.00 0.00 N ATOM 756 CA ALA C 52 24.614 -10.934 4.275 1.00 0.00 C ATOM 757 C ALA C 52 23.842 -11.339 5.517 1.00 0.00 C ATOM 758 O ALA C 52 22.860 -12.067 5.426 1.00 0.00 O ATOM 759 CB ALA C 52 25.514 -12.071 3.826 1.00 0.00 C ATOM 0 H ALA C 52 26.402 -9.868 4.457 1.00 0.00 H new ATOM 0 HA ALA C 52 23.886 -10.719 3.493 1.00 0.00 H new ATOM 0 HB1 ALA C 52 24.916 -12.970 3.675 1.00 0.00 H new ATOM 0 HB2 ALA C 52 26.004 -11.800 2.891 1.00 0.00 H new ATOM 0 HB3 ALA C 52 26.269 -12.261 4.589 1.00 0.00 H new ATOM 765 N GLN C 53 24.295 -10.893 6.676 1.00 0.00 N ATOM 766 CA GLN C 53 23.552 -11.119 7.905 1.00 0.00 C ATOM 767 C GLN C 53 22.265 -10.301 7.876 1.00 0.00 C ATOM 768 O GLN C 53 21.193 -10.776 8.268 1.00 0.00 O ATOM 769 CB GLN C 53 24.409 -10.765 9.129 1.00 0.00 C ATOM 770 CG GLN C 53 24.985 -9.356 9.104 1.00 0.00 C ATOM 771 CD GLN C 53 26.034 -9.135 10.176 1.00 0.00 C ATOM 772 OE1 GLN C 53 26.725 -10.068 10.588 1.00 0.00 O ATOM 773 NE2 GLN C 53 26.170 -7.900 10.628 1.00 0.00 N ATOM 0 H GLN C 53 25.167 -10.376 6.793 1.00 0.00 H new ATOM 0 HA GLN C 53 23.294 -12.175 7.982 1.00 0.00 H new ATOM 0 HB2 GLN C 53 23.804 -10.882 10.028 1.00 0.00 H new ATOM 0 HB3 GLN C 53 25.229 -11.479 9.202 1.00 0.00 H new ATOM 0 HG2 GLN C 53 25.425 -9.165 8.125 1.00 0.00 H new ATOM 0 HG3 GLN C 53 24.178 -8.635 9.237 1.00 0.00 H new ATOM 0 HE21 GLN C 53 25.578 -7.155 10.261 1.00 0.00 H new ATOM 0 HE22 GLN C 53 26.867 -7.693 11.344 1.00 0.00 H new ATOM 782 N THR C 54 22.366 -9.094 7.341 1.00 0.00 N ATOM 783 CA THR C 54 21.225 -8.209 7.250 1.00 0.00 C ATOM 784 C THR C 54 20.332 -8.636 6.091 1.00 0.00 C ATOM 785 O THR C 54 19.108 -8.629 6.196 1.00 0.00 O ATOM 786 CB THR C 54 21.670 -6.747 7.066 1.00 0.00 C ATOM 787 OG1 THR C 54 22.612 -6.400 8.091 1.00 0.00 O ATOM 788 CG2 THR C 54 20.478 -5.800 7.130 1.00 0.00 C ATOM 0 H THR C 54 23.231 -8.708 6.963 1.00 0.00 H new ATOM 0 HA THR C 54 20.664 -8.275 8.182 1.00 0.00 H new ATOM 0 HB THR C 54 22.135 -6.650 6.085 1.00 0.00 H new ATOM 0 HG1 THR C 54 23.495 -6.261 7.690 1.00 0.00 H new ATOM 0 HG21 THR C 54 20.821 -4.774 6.997 1.00 0.00 H new ATOM 0 HG22 THR C 54 19.771 -6.051 6.340 1.00 0.00 H new ATOM 0 HG23 THR C 54 19.988 -5.896 8.099 1.00 0.00 H new ATOM 796 N VAL C 55 20.963 -9.055 5.000 1.00 0.00 N ATOM 797 CA VAL C 55 20.241 -9.509 3.818 1.00 0.00 C ATOM 798 C VAL C 55 19.601 -10.871 4.079 1.00 0.00 C ATOM 799 O VAL C 55 18.674 -11.277 3.399 1.00 0.00 O ATOM 800 CB VAL C 55 21.187 -9.576 2.581 1.00 0.00 C ATOM 801 CG1 VAL C 55 20.571 -10.313 1.386 1.00 0.00 C ATOM 802 CG2 VAL C 55 21.601 -8.174 2.168 1.00 0.00 C ATOM 0 H VAL C 55 21.978 -9.090 4.910 1.00 0.00 H new ATOM 0 HA VAL C 55 19.452 -8.789 3.601 1.00 0.00 H new ATOM 0 HB VAL C 55 22.061 -10.152 2.887 1.00 0.00 H new ATOM 0 HG11 VAL C 55 21.281 -10.323 0.559 1.00 0.00 H new ATOM 0 HG12 VAL C 55 20.334 -11.337 1.673 1.00 0.00 H new ATOM 0 HG13 VAL C 55 19.659 -9.803 1.075 1.00 0.00 H new ATOM 0 HG21 VAL C 55 22.262 -8.230 1.303 1.00 0.00 H new ATOM 0 HG22 VAL C 55 20.715 -7.594 1.911 1.00 0.00 H new ATOM 0 HG23 VAL C 55 22.124 -7.691 2.994 1.00 0.00 H new ATOM 812 N ALA C 56 20.082 -11.564 5.092 1.00 0.00 N ATOM 813 CA ALA C 56 19.515 -12.850 5.455 1.00 0.00 C ATOM 814 C ALA C 56 18.112 -12.676 6.004 1.00 0.00 C ATOM 815 O ALA C 56 17.228 -13.499 5.760 1.00 0.00 O ATOM 816 CB ALA C 56 20.397 -13.563 6.463 1.00 0.00 C ATOM 0 H ALA C 56 20.861 -11.261 5.677 1.00 0.00 H new ATOM 0 HA ALA C 56 19.461 -13.464 4.556 1.00 0.00 H new ATOM 0 HB1 ALA C 56 19.952 -14.524 6.720 1.00 0.00 H new ATOM 0 HB2 ALA C 56 21.385 -13.724 6.032 1.00 0.00 H new ATOM 0 HB3 ALA C 56 20.488 -12.953 7.362 1.00 0.00 H new ATOM 822 N VAL C 57 17.901 -11.599 6.742 1.00 0.00 N ATOM 823 CA VAL C 57 16.572 -11.321 7.273 1.00 0.00 C ATOM 824 C VAL C 57 15.792 -10.439 6.309 1.00 0.00 C ATOM 825 O VAL C 57 14.577 -10.575 6.167 1.00 0.00 O ATOM 826 CB VAL C 57 16.611 -10.624 8.648 1.00 0.00 C ATOM 827 CG1 VAL C 57 15.292 -10.812 9.382 1.00 0.00 C ATOM 828 CG2 VAL C 57 17.774 -11.129 9.488 1.00 0.00 C ATOM 0 H VAL C 57 18.616 -10.913 6.985 1.00 0.00 H new ATOM 0 HA VAL C 57 16.084 -12.288 7.395 1.00 0.00 H new ATOM 0 HB VAL C 57 16.761 -9.558 8.480 1.00 0.00 H new ATOM 0 HG11 VAL C 57 15.340 -10.313 10.350 1.00 0.00 H new ATOM 0 HG12 VAL C 57 14.483 -10.382 8.792 1.00 0.00 H new ATOM 0 HG13 VAL C 57 15.107 -11.876 9.531 1.00 0.00 H new ATOM 0 HG21 VAL C 57 17.775 -10.619 10.451 1.00 0.00 H new ATOM 0 HG22 VAL C 57 17.670 -12.203 9.646 1.00 0.00 H new ATOM 0 HG23 VAL C 57 18.712 -10.928 8.970 1.00 0.00 H new ATOM 838 N PHE C 58 16.501 -9.554 5.626 1.00 0.00 N ATOM 839 CA PHE C 58 15.855 -8.540 4.800 1.00 0.00 C ATOM 840 C PHE C 58 16.051 -8.793 3.311 1.00 0.00 C ATOM 841 O PHE C 58 15.977 -7.863 2.512 1.00 0.00 O ATOM 842 CB PHE C 58 16.374 -7.148 5.158 1.00 0.00 C ATOM 843 CG PHE C 58 15.836 -6.622 6.457 1.00 0.00 C ATOM 844 CD1 PHE C 58 14.714 -5.809 6.476 1.00 0.00 C ATOM 845 CD2 PHE C 58 16.447 -6.943 7.659 1.00 0.00 C ATOM 846 CE1 PHE C 58 14.212 -5.325 7.668 1.00 0.00 C ATOM 847 CE2 PHE C 58 15.948 -6.461 8.854 1.00 0.00 C ATOM 848 CZ PHE C 58 14.830 -5.653 8.859 1.00 0.00 C ATOM 0 H PHE C 58 17.520 -9.515 5.625 1.00 0.00 H new ATOM 0 HA PHE C 58 14.787 -8.598 5.008 1.00 0.00 H new ATOM 0 HB2 PHE C 58 17.462 -7.178 5.210 1.00 0.00 H new ATOM 0 HB3 PHE C 58 16.112 -6.455 4.359 1.00 0.00 H new ATOM 0 HD1 PHE C 58 14.226 -5.551 5.548 1.00 0.00 H new ATOM 0 HD2 PHE C 58 17.322 -7.576 7.662 1.00 0.00 H new ATOM 0 HE1 PHE C 58 13.338 -4.691 7.669 1.00 0.00 H new ATOM 0 HE2 PHE C 58 16.433 -6.717 9.784 1.00 0.00 H new ATOM 0 HZ PHE C 58 14.438 -5.277 9.793 1.00 0.00 H new ATOM 858 N LYS C 59 16.328 -10.043 2.955 1.00 0.00 N ATOM 859 CA LYS C 59 16.425 -10.459 1.550 1.00 0.00 C ATOM 860 C LYS C 59 15.223 -9.971 0.738 1.00 0.00 C ATOM 861 O LYS C 59 14.127 -10.513 0.855 1.00 0.00 O ATOM 862 CB LYS C 59 16.540 -11.988 1.454 1.00 0.00 C ATOM 863 CG LYS C 59 15.494 -12.746 2.262 1.00 0.00 C ATOM 864 CD LYS C 59 15.671 -14.250 2.138 1.00 0.00 C ATOM 865 CE LYS C 59 15.433 -14.733 0.716 1.00 0.00 C ATOM 866 NZ LYS C 59 15.583 -16.207 0.602 1.00 0.00 N ATOM 0 H LYS C 59 16.492 -10.796 3.623 1.00 0.00 H new ATOM 0 HA LYS C 59 17.322 -10.005 1.130 1.00 0.00 H new ATOM 0 HB2 LYS C 59 16.458 -12.282 0.408 1.00 0.00 H new ATOM 0 HB3 LYS C 59 17.532 -12.288 1.792 1.00 0.00 H new ATOM 0 HG2 LYS C 59 15.564 -12.456 3.311 1.00 0.00 H new ATOM 0 HG3 LYS C 59 14.497 -12.467 1.920 1.00 0.00 H new ATOM 0 HD2 LYS C 59 16.679 -14.524 2.451 1.00 0.00 H new ATOM 0 HD3 LYS C 59 14.979 -14.754 2.813 1.00 0.00 H new ATOM 0 HE2 LYS C 59 14.432 -14.444 0.397 1.00 0.00 H new ATOM 0 HE3 LYS C 59 16.136 -14.243 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 15.413 -16.498 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 16.546 -16.481 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 14.895 -16.675 1.225 1.00 0.00 H new ATOM 880 N PRO C 60 15.410 -8.947 -0.113 1.00 0.00 N ATOM 881 CA PRO C 60 14.321 -8.305 -0.822 1.00 0.00 C ATOM 882 C PRO C 60 13.946 -9.052 -2.093 1.00 0.00 C ATOM 883 O PRO C 60 14.201 -10.250 -2.233 1.00 0.00 O ATOM 884 CB PRO C 60 14.886 -6.913 -1.163 1.00 0.00 C ATOM 885 CG PRO C 60 16.296 -6.900 -0.663 1.00 0.00 C ATOM 886 CD PRO C 60 16.683 -8.335 -0.482 1.00 0.00 C ATOM 0 HA PRO C 60 13.408 -8.273 -0.227 1.00 0.00 H new ATOM 0 HB2 PRO C 60 14.852 -6.732 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO C 60 14.298 -6.127 -0.689 1.00 0.00 H new ATOM 0 HG2 PRO C 60 16.957 -6.404 -1.374 1.00 0.00 H new ATOM 0 HG3 PRO C 60 16.372 -6.354 0.277 1.00 0.00 H new ATOM 0 HD2 PRO C 60 17.093 -8.765 -1.395 1.00 0.00 H new ATOM 0 HD3 PRO C 60 17.437 -8.460 0.296 1.00 0.00 H new ATOM 894 N GLU C 61 13.366 -8.322 -3.023 1.00 0.00 N ATOM 895 CA GLU C 61 12.820 -8.901 -4.240 1.00 0.00 C ATOM 896 C GLU C 61 13.202 -8.061 -5.451 1.00 0.00 C ATOM 897 O GLU C 61 13.168 -6.830 -5.397 1.00 0.00 O ATOM 898 CB GLU C 61 11.293 -9.008 -4.136 1.00 0.00 C ATOM 899 CG GLU C 61 10.820 -10.015 -3.100 1.00 0.00 C ATOM 900 CD GLU C 61 9.310 -10.113 -3.022 1.00 0.00 C ATOM 901 OE1 GLU C 61 8.660 -10.184 -4.086 1.00 0.00 O ATOM 902 OE2 GLU C 61 8.771 -10.150 -1.895 1.00 0.00 O ATOM 0 H GLU C 61 13.258 -7.310 -2.960 1.00 0.00 H new ATOM 0 HA GLU C 61 13.239 -9.900 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU C 61 10.885 -8.028 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU C 61 10.890 -9.286 -5.110 1.00 0.00 H new ATOM 0 HG2 GLU C 61 11.231 -10.996 -3.339 1.00 0.00 H new ATOM 0 HG3 GLU C 61 11.212 -9.735 -2.122 1.00 0.00 H new ATOM 909 N VAL C 62 13.556 -8.730 -6.539 1.00 0.00 N ATOM 910 CA VAL C 62 13.974 -8.055 -7.753 1.00 0.00 C ATOM 911 C VAL C 62 12.755 -7.533 -8.487 1.00 0.00 C ATOM 912 O VAL C 62 12.001 -8.297 -9.090 1.00 0.00 O ATOM 913 CB VAL C 62 14.771 -8.990 -8.685 1.00 0.00 C ATOM 914 CG1 VAL C 62 15.369 -8.204 -9.842 1.00 0.00 C ATOM 915 CG2 VAL C 62 15.856 -9.724 -7.913 1.00 0.00 C ATOM 0 H VAL C 62 13.561 -9.748 -6.603 1.00 0.00 H new ATOM 0 HA VAL C 62 14.627 -7.230 -7.467 1.00 0.00 H new ATOM 0 HB VAL C 62 14.086 -9.733 -9.093 1.00 0.00 H new ATOM 0 HG11 VAL C 62 15.928 -8.879 -10.490 1.00 0.00 H new ATOM 0 HG12 VAL C 62 14.569 -7.732 -10.413 1.00 0.00 H new ATOM 0 HG13 VAL C 62 16.039 -7.437 -9.453 1.00 0.00 H new ATOM 0 HG21 VAL C 62 16.405 -10.378 -8.590 1.00 0.00 H new ATOM 0 HG22 VAL C 62 16.541 -9.000 -7.472 1.00 0.00 H new ATOM 0 HG23 VAL C 62 15.400 -10.321 -7.123 1.00 0.00 H new ATOM 925 N GLY C 63 12.556 -6.236 -8.407 1.00 0.00 N ATOM 926 CA GLY C 63 11.389 -5.627 -9.011 1.00 0.00 C ATOM 927 C GLY C 63 10.233 -5.521 -8.037 1.00 0.00 C ATOM 928 O GLY C 63 9.104 -5.229 -8.432 1.00 0.00 O ATOM 0 H GLY C 63 13.182 -5.585 -7.933 1.00 0.00 H new ATOM 0 HA2 GLY C 63 11.647 -4.633 -9.376 1.00 0.00 H new ATOM 0 HA3 GLY C 63 11.081 -6.214 -9.876 1.00 0.00 H new ATOM 932 N GLY C 64 10.513 -5.769 -6.761 1.00 0.00 N ATOM 933 CA GLY C 64 9.495 -5.659 -5.747 1.00 0.00 C ATOM 934 C GLY C 64 9.473 -4.281 -5.130 1.00 0.00 C ATOM 935 O GLY C 64 9.997 -3.322 -5.708 1.00 0.00 O ATOM 0 H GLY C 64 11.432 -6.045 -6.416 1.00 0.00 H new ATOM 0 HA2 GLY C 64 8.521 -5.879 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY C 64 9.672 -6.403 -4.971 1.00 0.00 H new ATOM 939 N TYR C 65 8.890 -4.181 -3.953 1.00 0.00 N ATOM 940 CA TYR C 65 8.726 -2.897 -3.294 1.00 0.00 C ATOM 941 C TYR C 65 9.156 -2.969 -1.835 1.00 0.00 C ATOM 942 O TYR C 65 8.825 -3.917 -1.119 1.00 0.00 O ATOM 943 CB TYR C 65 7.273 -2.434 -3.402 1.00 0.00 C ATOM 944 CG TYR C 65 6.829 -2.196 -4.829 1.00 0.00 C ATOM 945 CD1 TYR C 65 7.091 -0.988 -5.463 1.00 0.00 C ATOM 946 CD2 TYR C 65 6.157 -3.182 -5.544 1.00 0.00 C ATOM 947 CE1 TYR C 65 6.695 -0.769 -6.769 1.00 0.00 C ATOM 948 CE2 TYR C 65 5.759 -2.970 -6.849 1.00 0.00 C ATOM 949 CZ TYR C 65 6.030 -1.763 -7.458 1.00 0.00 C ATOM 950 OH TYR C 65 5.634 -1.548 -8.759 1.00 0.00 O ATOM 0 H TYR C 65 8.520 -4.975 -3.430 1.00 0.00 H new ATOM 0 HA TYR C 65 9.367 -2.171 -3.795 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.625 -3.183 -2.946 1.00 0.00 H new ATOM 0 HB3 TYR C 65 7.148 -1.514 -2.831 1.00 0.00 H new ATOM 0 HD1 TYR C 65 7.612 -0.208 -4.927 1.00 0.00 H new ATOM 0 HD2 TYR C 65 5.943 -4.129 -5.071 1.00 0.00 H new ATOM 0 HE1 TYR C 65 6.905 0.176 -7.248 1.00 0.00 H new ATOM 0 HE2 TYR C 65 5.238 -3.746 -7.390 1.00 0.00 H new ATOM 0 HH TYR C 65 5.180 -2.347 -9.099 1.00 0.00 H new ATOM 960 N LEU C 66 9.917 -1.972 -1.418 1.00 0.00 N ATOM 961 CA LEU C 66 10.366 -1.855 -0.041 1.00 0.00 C ATOM 962 C LEU C 66 9.768 -0.601 0.571 1.00 0.00 C ATOM 963 O LEU C 66 10.111 0.505 0.180 1.00 0.00 O ATOM 964 CB LEU C 66 11.893 -1.795 -0.003 1.00 0.00 C ATOM 965 CG LEU C 66 12.526 -1.570 1.372 1.00 0.00 C ATOM 966 CD1 LEU C 66 12.323 -2.782 2.265 1.00 0.00 C ATOM 967 CD2 LEU C 66 14.008 -1.259 1.225 1.00 0.00 C ATOM 0 H LEU C 66 10.242 -1.220 -2.025 1.00 0.00 H new ATOM 0 HA LEU C 66 10.039 -2.722 0.533 1.00 0.00 H new ATOM 0 HB2 LEU C 66 12.283 -2.727 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU C 66 12.221 -0.995 -0.666 1.00 0.00 H new ATOM 0 HG LEU C 66 12.035 -0.718 1.841 1.00 0.00 H new ATOM 0 HD11 LEU C 66 12.781 -2.599 3.237 1.00 0.00 H new ATOM 0 HD12 LEU C 66 11.256 -2.963 2.395 1.00 0.00 H new ATOM 0 HD13 LEU C 66 12.786 -3.655 1.804 1.00 0.00 H new ATOM 0 HD21 LEU C 66 14.446 -1.101 2.210 1.00 0.00 H new ATOM 0 HD22 LEU C 66 14.508 -2.094 0.735 1.00 0.00 H new ATOM 0 HD23 LEU C 66 14.133 -0.358 0.624 1.00 0.00 H new ATOM 979 N PHE C 67 8.868 -0.766 1.514 1.00 0.00 N ATOM 980 CA PHE C 67 8.158 0.372 2.069 1.00 0.00 C ATOM 981 C PHE C 67 8.605 0.669 3.497 1.00 0.00 C ATOM 982 O PHE C 67 8.926 -0.243 4.262 1.00 0.00 O ATOM 983 CB PHE C 67 6.641 0.150 2.000 1.00 0.00 C ATOM 984 CG PHE C 67 6.177 -1.186 2.516 1.00 0.00 C ATOM 985 CD1 PHE C 67 6.145 -2.293 1.681 1.00 0.00 C ATOM 986 CD2 PHE C 67 5.757 -1.332 3.829 1.00 0.00 C ATOM 987 CE1 PHE C 67 5.706 -3.519 2.145 1.00 0.00 C ATOM 988 CE2 PHE C 67 5.319 -2.556 4.299 1.00 0.00 C ATOM 989 CZ PHE C 67 5.293 -3.650 3.456 1.00 0.00 C ATOM 0 H PHE C 67 8.609 -1.669 1.913 1.00 0.00 H new ATOM 0 HA PHE C 67 8.403 1.245 1.464 1.00 0.00 H new ATOM 0 HB2 PHE C 67 6.146 0.936 2.570 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.319 0.256 0.964 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.467 -2.196 0.655 1.00 0.00 H new ATOM 0 HD2 PHE C 67 5.772 -0.480 4.492 1.00 0.00 H new ATOM 0 HE1 PHE C 67 5.686 -4.372 1.483 1.00 0.00 H new ATOM 0 HE2 PHE C 67 4.997 -2.657 5.325 1.00 0.00 H new ATOM 0 HZ PHE C 67 4.950 -4.607 3.822 1.00 0.00 H new ATOM 999 N ARG C 68 8.644 1.953 3.840 1.00 0.00 N ATOM 1000 CA ARG C 68 9.046 2.382 5.170 1.00 0.00 C ATOM 1001 C ARG C 68 7.951 3.214 5.806 1.00 0.00 C ATOM 1002 O ARG C 68 7.274 3.994 5.132 1.00 0.00 O ATOM 1003 CB ARG C 68 10.346 3.190 5.113 1.00 0.00 C ATOM 1004 CG ARG C 68 10.275 4.412 4.211 1.00 0.00 C ATOM 1005 CD ARG C 68 11.592 5.170 4.199 1.00 0.00 C ATOM 1006 NE ARG C 68 11.583 6.277 3.242 1.00 0.00 N ATOM 1007 CZ ARG C 68 12.389 7.335 3.320 1.00 0.00 C ATOM 1008 NH1 ARG C 68 13.276 7.434 4.306 1.00 0.00 N ATOM 1009 NH2 ARG C 68 12.310 8.295 2.407 1.00 0.00 N ATOM 0 H ARG C 68 8.400 2.716 3.209 1.00 0.00 H new ATOM 0 HA ARG C 68 9.217 1.492 5.776 1.00 0.00 H new ATOM 0 HB2 ARG C 68 10.607 3.510 6.122 1.00 0.00 H new ATOM 0 HB3 ARG C 68 11.150 2.541 4.766 1.00 0.00 H new ATOM 0 HG2 ARG C 68 10.022 4.103 3.197 1.00 0.00 H new ATOM 0 HG3 ARG C 68 9.477 5.072 4.552 1.00 0.00 H new ATOM 0 HD2 ARG C 68 11.796 5.557 5.197 1.00 0.00 H new ATOM 0 HD3 ARG C 68 12.402 4.484 3.951 1.00 0.00 H new ATOM 0 HE ARG C 68 10.919 6.236 2.468 1.00 0.00 H new ATOM 0 HH11 ARG C 68 13.342 6.697 5.008 1.00 0.00 H new ATOM 0 HH12 ARG C 68 13.890 8.247 4.360 1.00 0.00 H new ATOM 0 HH21 ARG C 68 11.633 8.222 1.647 1.00 0.00 H new ATOM 0 HH22 ARG C 68 12.926 9.106 2.465 1.00 0.00 H new ATOM 1023 N SER C 69 7.776 3.035 7.098 1.00 0.00 N ATOM 1024 CA SER C 69 6.766 3.767 7.834 1.00 0.00 C ATOM 1025 C SER C 69 7.359 5.019 8.470 1.00 0.00 C ATOM 1026 O SER C 69 8.530 5.336 8.255 1.00 0.00 O ATOM 1027 CB SER C 69 6.149 2.867 8.904 1.00 0.00 C ATOM 1028 OG SER C 69 7.148 2.342 9.763 1.00 0.00 O ATOM 0 H SER C 69 8.323 2.386 7.663 1.00 0.00 H new ATOM 0 HA SER C 69 5.987 4.079 7.139 1.00 0.00 H new ATOM 0 HB2 SER C 69 5.424 3.434 9.487 1.00 0.00 H new ATOM 0 HB3 SER C 69 5.607 2.050 8.429 1.00 0.00 H new ATOM 0 HG SER C 69 6.730 1.771 10.440 1.00 0.00 H new ATOM 1034 N GLN C 70 6.549 5.711 9.256 1.00 0.00 N ATOM 1035 CA GLN C 70 6.970 6.936 9.936 1.00 0.00 C ATOM 1036 C GLN C 70 8.228 6.711 10.767 1.00 0.00 C ATOM 1037 O GLN C 70 9.153 7.522 10.752 1.00 0.00 O ATOM 1038 CB GLN C 70 5.860 7.414 10.860 1.00 0.00 C ATOM 1039 CG GLN C 70 4.556 7.727 10.145 1.00 0.00 C ATOM 1040 CD GLN C 70 4.682 8.885 9.175 1.00 0.00 C ATOM 1041 OE1 GLN C 70 5.476 9.803 9.381 1.00 0.00 O ATOM 1042 NE2 GLN C 70 3.895 8.852 8.113 1.00 0.00 N ATOM 0 H GLN C 70 5.583 5.444 9.443 1.00 0.00 H new ATOM 0 HA GLN C 70 7.184 7.682 9.171 1.00 0.00 H new ATOM 0 HB2 GLN C 70 5.675 6.650 11.615 1.00 0.00 H new ATOM 0 HB3 GLN C 70 6.198 8.307 11.386 1.00 0.00 H new ATOM 0 HG2 GLN C 70 4.221 6.841 9.605 1.00 0.00 H new ATOM 0 HG3 GLN C 70 3.789 7.959 10.883 1.00 0.00 H new ATOM 0 HE21 GLN C 70 3.251 8.073 7.980 1.00 0.00 H new ATOM 0 HE22 GLN C 70 3.932 9.606 7.427 1.00 0.00 H new ATOM 1051 N TYR C 71 8.258 5.595 11.482 1.00 0.00 N ATOM 1052 CA TYR C 71 9.358 5.289 12.390 1.00 0.00 C ATOM 1053 C TYR C 71 10.550 4.758 11.613 1.00 0.00 C ATOM 1054 O TYR C 71 11.573 4.385 12.187 1.00 0.00 O ATOM 1055 CB TYR C 71 8.907 4.264 13.426 1.00 0.00 C ATOM 1056 CG TYR C 71 7.563 4.586 14.031 1.00 0.00 C ATOM 1057 CD1 TYR C 71 6.411 3.977 13.554 1.00 0.00 C ATOM 1058 CD2 TYR C 71 7.442 5.504 15.064 1.00 0.00 C ATOM 1059 CE1 TYR C 71 5.174 4.271 14.090 1.00 0.00 C ATOM 1060 CE2 TYR C 71 6.208 5.804 15.608 1.00 0.00 C ATOM 1061 CZ TYR C 71 5.079 5.185 15.118 1.00 0.00 C ATOM 1062 OH TYR C 71 3.846 5.482 15.655 1.00 0.00 O ATOM 0 H TYR C 71 7.529 4.882 11.451 1.00 0.00 H new ATOM 0 HA TYR C 71 9.656 6.204 12.903 1.00 0.00 H new ATOM 0 HB2 TYR C 71 8.862 3.280 12.959 1.00 0.00 H new ATOM 0 HB3 TYR C 71 9.652 4.207 14.220 1.00 0.00 H new ATOM 0 HD1 TYR C 71 6.484 3.260 12.749 1.00 0.00 H new ATOM 0 HD2 TYR C 71 8.326 5.991 15.449 1.00 0.00 H new ATOM 0 HE1 TYR C 71 4.287 3.789 13.707 1.00 0.00 H new ATOM 0 HE2 TYR C 71 6.129 6.520 16.413 1.00 0.00 H new ATOM 0 HH TYR C 71 3.952 6.143 16.371 1.00 0.00 H new ATOM 1072 N GLY C 72 10.400 4.717 10.301 1.00 0.00 N ATOM 1073 CA GLY C 72 11.474 4.261 9.444 1.00 0.00 C ATOM 1074 C GLY C 72 11.617 2.756 9.457 1.00 0.00 C ATOM 1075 O GLY C 72 12.688 2.218 9.167 1.00 0.00 O ATOM 0 H GLY C 72 9.549 4.993 9.810 1.00 0.00 H new ATOM 0 HA2 GLY C 72 11.290 4.598 8.424 1.00 0.00 H new ATOM 0 HA3 GLY C 72 12.411 4.716 9.766 1.00 0.00 H new ATOM 1079 N GLU C 73 10.538 2.073 9.812 1.00 0.00 N ATOM 1080 CA GLU C 73 10.531 0.624 9.808 1.00 0.00 C ATOM 1081 C GLU C 73 10.375 0.132 8.377 1.00 0.00 C ATOM 1082 O GLU C 73 9.380 0.430 7.718 1.00 0.00 O ATOM 1083 CB GLU C 73 9.404 0.085 10.685 1.00 0.00 C ATOM 1084 CG GLU C 73 9.547 -1.392 11.011 1.00 0.00 C ATOM 1085 CD GLU C 73 10.810 -1.687 11.793 1.00 0.00 C ATOM 1086 OE1 GLU C 73 11.887 -1.814 11.172 1.00 0.00 O ATOM 1087 OE2 GLU C 73 10.735 -1.790 13.035 1.00 0.00 O ATOM 0 H GLU C 73 9.660 2.501 10.105 1.00 0.00 H new ATOM 0 HA GLU C 73 11.473 0.260 10.217 1.00 0.00 H new ATOM 0 HB2 GLU C 73 9.373 0.653 11.615 1.00 0.00 H new ATOM 0 HB3 GLU C 73 8.452 0.248 10.181 1.00 0.00 H new ATOM 0 HG2 GLU C 73 8.681 -1.721 11.586 1.00 0.00 H new ATOM 0 HG3 GLU C 73 9.552 -1.968 10.085 1.00 0.00 H new ATOM 1094 N LEU C 74 11.369 -0.595 7.898 1.00 0.00 N ATOM 1095 CA LEU C 74 11.397 -1.016 6.510 1.00 0.00 C ATOM 1096 C LEU C 74 10.938 -2.447 6.340 1.00 0.00 C ATOM 1097 O LEU C 74 11.440 -3.362 6.996 1.00 0.00 O ATOM 1098 CB LEU C 74 12.794 -0.833 5.935 1.00 0.00 C ATOM 1099 CG LEU C 74 13.091 0.590 5.493 1.00 0.00 C ATOM 1100 CD1 LEU C 74 14.570 0.904 5.639 1.00 0.00 C ATOM 1101 CD2 LEU C 74 12.644 0.797 4.056 1.00 0.00 C ATOM 0 H LEU C 74 12.168 -0.906 8.451 1.00 0.00 H new ATOM 0 HA LEU C 74 10.697 -0.386 5.961 1.00 0.00 H new ATOM 0 HB2 LEU C 74 13.528 -1.132 6.684 1.00 0.00 H new ATOM 0 HB3 LEU C 74 12.917 -1.502 5.083 1.00 0.00 H new ATOM 0 HG LEU C 74 12.535 1.272 6.136 1.00 0.00 H new ATOM 0 HD11 LEU C 74 14.758 1.928 5.316 1.00 0.00 H new ATOM 0 HD12 LEU C 74 14.864 0.792 6.683 1.00 0.00 H new ATOM 0 HD13 LEU C 74 15.150 0.217 5.023 1.00 0.00 H new ATOM 0 HD21 LEU C 74 12.862 1.820 3.751 1.00 0.00 H new ATOM 0 HD22 LEU C 74 13.177 0.103 3.406 1.00 0.00 H new ATOM 0 HD23 LEU C 74 11.572 0.616 3.979 1.00 0.00 H new ATOM 1113 N LEU C 75 9.973 -2.618 5.459 1.00 0.00 N ATOM 1114 CA LEU C 75 9.445 -3.934 5.119 1.00 0.00 C ATOM 1115 C LEU C 75 9.363 -4.077 3.605 1.00 0.00 C ATOM 1116 O LEU C 75 9.021 -3.129 2.904 1.00 0.00 O ATOM 1117 CB LEU C 75 8.047 -4.168 5.724 1.00 0.00 C ATOM 1118 CG LEU C 75 7.973 -4.414 7.240 1.00 0.00 C ATOM 1119 CD1 LEU C 75 8.999 -5.446 7.678 1.00 0.00 C ATOM 1120 CD2 LEU C 75 8.137 -3.118 8.022 1.00 0.00 C ATOM 0 H LEU C 75 9.529 -1.850 4.955 1.00 0.00 H new ATOM 0 HA LEU C 75 10.123 -4.678 5.536 1.00 0.00 H new ATOM 0 HB2 LEU C 75 7.428 -3.301 5.491 1.00 0.00 H new ATOM 0 HB3 LEU C 75 7.599 -5.024 5.220 1.00 0.00 H new ATOM 0 HG LEU C 75 6.982 -4.810 7.460 1.00 0.00 H new ATOM 0 HD11 LEU C 75 8.924 -5.600 8.754 1.00 0.00 H new ATOM 0 HD12 LEU C 75 8.810 -6.388 7.163 1.00 0.00 H new ATOM 0 HD13 LEU C 75 10.000 -5.092 7.431 1.00 0.00 H new ATOM 0 HD21 LEU C 75 8.080 -3.328 9.090 1.00 0.00 H new ATOM 0 HD22 LEU C 75 9.105 -2.674 7.791 1.00 0.00 H new ATOM 0 HD23 LEU C 75 7.344 -2.423 7.746 1.00 0.00 H new ATOM 1132 N TYR C 76 9.690 -5.255 3.104 1.00 0.00 N ATOM 1133 CA TYR C 76 9.603 -5.520 1.675 1.00 0.00 C ATOM 1134 C TYR C 76 8.510 -6.544 1.421 1.00 0.00 C ATOM 1135 O TYR C 76 8.162 -7.308 2.325 1.00 0.00 O ATOM 1136 CB TYR C 76 10.938 -6.061 1.140 1.00 0.00 C ATOM 1137 CG TYR C 76 11.188 -7.509 1.509 1.00 0.00 C ATOM 1138 CD1 TYR C 76 11.832 -7.851 2.691 1.00 0.00 C ATOM 1139 CD2 TYR C 76 10.750 -8.535 0.679 1.00 0.00 C ATOM 1140 CE1 TYR C 76 12.031 -9.175 3.034 1.00 0.00 C ATOM 1141 CE2 TYR C 76 10.946 -9.857 1.013 1.00 0.00 C ATOM 1142 CZ TYR C 76 11.585 -10.173 2.192 1.00 0.00 C ATOM 1143 OH TYR C 76 11.779 -11.493 2.534 1.00 0.00 O ATOM 0 H TYR C 76 10.018 -6.043 3.662 1.00 0.00 H new ATOM 0 HA TYR C 76 9.372 -4.587 1.160 1.00 0.00 H new ATOM 0 HB2 TYR C 76 10.954 -5.962 0.055 1.00 0.00 H new ATOM 0 HB3 TYR C 76 11.752 -5.449 1.528 1.00 0.00 H new ATOM 0 HD1 TYR C 76 12.182 -7.071 3.351 1.00 0.00 H new ATOM 0 HD2 TYR C 76 10.247 -8.291 -0.245 1.00 0.00 H new ATOM 0 HE1 TYR C 76 12.533 -9.427 3.956 1.00 0.00 H new ATOM 0 HE2 TYR C 76 10.601 -10.641 0.355 1.00 0.00 H new ATOM 0 HH TYR C 76 11.406 -12.070 1.835 1.00 0.00 H new ATOM 1153 N MET C 77 7.979 -6.567 0.204 1.00 0.00 N ATOM 1154 CA MET C 77 7.035 -7.602 -0.197 1.00 0.00 C ATOM 1155 C MET C 77 6.621 -7.413 -1.650 1.00 0.00 C ATOM 1156 O MET C 77 6.893 -6.371 -2.253 1.00 0.00 O ATOM 1157 CB MET C 77 5.788 -7.586 0.700 1.00 0.00 C ATOM 1158 CG MET C 77 4.980 -8.880 0.674 1.00 0.00 C ATOM 1159 SD MET C 77 5.495 -10.079 1.928 1.00 0.00 S ATOM 1160 CE MET C 77 7.173 -10.457 1.427 1.00 0.00 C ATOM 0 H MET C 77 8.186 -5.881 -0.522 1.00 0.00 H new ATOM 0 HA MET C 77 7.532 -8.566 -0.088 1.00 0.00 H new ATOM 0 HB2 MET C 77 6.095 -7.384 1.726 1.00 0.00 H new ATOM 0 HB3 MET C 77 5.144 -6.763 0.392 1.00 0.00 H new ATOM 0 HG2 MET C 77 3.926 -8.644 0.820 1.00 0.00 H new ATOM 0 HG3 MET C 77 5.071 -9.336 -0.312 1.00 0.00 H new ATOM 0 HE1 MET C 77 7.492 -11.388 1.895 1.00 0.00 H new ATOM 0 HE2 MET C 77 7.214 -10.564 0.343 1.00 0.00 H new ATOM 0 HE3 MET C 77 7.836 -9.649 1.737 1.00 0.00 H new ATOM 1170 N SER C 78 5.996 -8.438 -2.208 1.00 0.00 N ATOM 1171 CA SER C 78 5.401 -8.361 -3.532 1.00 0.00 C ATOM 1172 C SER C 78 4.093 -7.545 -3.515 1.00 0.00 C ATOM 1173 O SER C 78 3.871 -6.732 -2.611 1.00 0.00 O ATOM 1174 CB SER C 78 5.169 -9.780 -4.054 1.00 0.00 C ATOM 1175 OG SER C 78 4.608 -10.611 -3.049 1.00 0.00 O ATOM 0 H SER C 78 5.887 -9.346 -1.756 1.00 0.00 H new ATOM 0 HA SER C 78 6.084 -7.839 -4.203 1.00 0.00 H new ATOM 0 HB2 SER C 78 4.504 -9.749 -4.917 1.00 0.00 H new ATOM 0 HB3 SER C 78 6.114 -10.204 -4.395 1.00 0.00 H new ATOM 0 HG SER C 78 4.468 -11.512 -3.409 1.00 0.00 H new ATOM 1181 N LYS C 79 3.221 -7.780 -4.493 1.00 0.00 N ATOM 1182 CA LYS C 79 2.065 -6.911 -4.723 1.00 0.00 C ATOM 1183 C LYS C 79 1.060 -7.005 -3.597 1.00 0.00 C ATOM 1184 O LYS C 79 0.506 -6.001 -3.183 1.00 0.00 O ATOM 1185 CB LYS C 79 1.343 -7.265 -6.017 1.00 0.00 C ATOM 1186 CG LYS C 79 2.269 -7.567 -7.174 1.00 0.00 C ATOM 1187 CD LYS C 79 1.501 -7.897 -8.448 1.00 0.00 C ATOM 1188 CE LYS C 79 0.619 -6.740 -8.903 1.00 0.00 C ATOM 1189 NZ LYS C 79 1.408 -5.512 -9.188 1.00 0.00 N ATOM 0 H LYS C 79 3.292 -8.565 -5.140 1.00 0.00 H new ATOM 0 HA LYS C 79 2.463 -5.898 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS C 79 0.705 -8.131 -5.840 1.00 0.00 H new ATOM 0 HB3 LYS C 79 0.689 -6.438 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS C 79 2.917 -6.709 -7.353 1.00 0.00 H new ATOM 0 HG3 LYS C 79 2.915 -8.405 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS C 79 2.206 -8.148 -9.241 1.00 0.00 H new ATOM 0 HD3 LYS C 79 0.883 -8.779 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS C 79 0.070 -7.033 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS C 79 -0.121 -6.524 -8.132 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 0.799 -4.808 -9.652 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 1.774 -5.120 -8.297 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 2.204 -5.748 -9.815 1.00 0.00 H new ATOM 1203 N THR C 80 0.823 -8.219 -3.132 1.00 0.00 N ATOM 1204 CA THR C 80 -0.186 -8.480 -2.105 1.00 0.00 C ATOM 1205 C THR C 80 -0.126 -7.466 -0.958 1.00 0.00 C ATOM 1206 O THR C 80 -1.064 -6.692 -0.740 1.00 0.00 O ATOM 1207 CB THR C 80 -0.025 -9.896 -1.535 1.00 0.00 C ATOM 1208 OG1 THR C 80 1.352 -10.147 -1.230 1.00 0.00 O ATOM 1209 CG2 THR C 80 -0.539 -10.942 -2.512 1.00 0.00 C ATOM 0 H THR C 80 1.319 -9.052 -3.450 1.00 0.00 H new ATOM 0 HA THR C 80 -1.157 -8.384 -2.592 1.00 0.00 H new ATOM 0 HB THR C 80 -0.616 -9.964 -0.622 1.00 0.00 H new ATOM 0 HG1 THR C 80 1.447 -11.052 -0.865 1.00 0.00 H new ATOM 0 HG21 THR C 80 -0.412 -11.935 -2.082 1.00 0.00 H new ATOM 0 HG22 THR C 80 -1.596 -10.765 -2.712 1.00 0.00 H new ATOM 0 HG23 THR C 80 0.022 -10.876 -3.444 1.00 0.00 H new ATOM 1217 N ALA C 81 0.986 -7.457 -0.241 1.00 0.00 N ATOM 1218 CA ALA C 81 1.159 -6.531 0.863 1.00 0.00 C ATOM 1219 C ALA C 81 1.268 -5.103 0.356 1.00 0.00 C ATOM 1220 O ALA C 81 0.753 -4.176 0.976 1.00 0.00 O ATOM 1221 CB ALA C 81 2.383 -6.888 1.676 1.00 0.00 C ATOM 0 H ALA C 81 1.779 -8.078 -0.404 1.00 0.00 H new ATOM 0 HA ALA C 81 0.281 -6.607 1.505 1.00 0.00 H new ATOM 0 HB1 ALA C 81 2.493 -6.181 2.498 1.00 0.00 H new ATOM 0 HB2 ALA C 81 2.272 -7.896 2.077 1.00 0.00 H new ATOM 0 HB3 ALA C 81 3.267 -6.845 1.040 1.00 0.00 H new ATOM 1227 N PHE C 82 1.929 -4.931 -0.783 1.00 0.00 N ATOM 1228 CA PHE C 82 2.128 -3.606 -1.342 1.00 0.00 C ATOM 1229 C PHE C 82 0.788 -2.934 -1.624 1.00 0.00 C ATOM 1230 O PHE C 82 0.615 -1.768 -1.322 1.00 0.00 O ATOM 1231 CB PHE C 82 2.981 -3.664 -2.613 1.00 0.00 C ATOM 1232 CG PHE C 82 3.305 -2.307 -3.175 1.00 0.00 C ATOM 1233 CD1 PHE C 82 3.876 -1.330 -2.375 1.00 0.00 C ATOM 1234 CD2 PHE C 82 3.037 -2.010 -4.499 1.00 0.00 C ATOM 1235 CE1 PHE C 82 4.172 -0.083 -2.887 1.00 0.00 C ATOM 1236 CE2 PHE C 82 3.332 -0.764 -5.017 1.00 0.00 C ATOM 1237 CZ PHE C 82 3.901 0.201 -4.210 1.00 0.00 C ATOM 0 H PHE C 82 2.333 -5.690 -1.332 1.00 0.00 H new ATOM 0 HA PHE C 82 2.665 -3.009 -0.605 1.00 0.00 H new ATOM 0 HB2 PHE C 82 3.910 -4.190 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE C 82 2.455 -4.246 -3.369 1.00 0.00 H new ATOM 0 HD1 PHE C 82 4.092 -1.547 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE C 82 2.592 -2.761 -5.135 1.00 0.00 H new ATOM 0 HE1 PHE C 82 4.615 0.670 -2.253 1.00 0.00 H new ATOM 0 HE2 PHE C 82 3.118 -0.545 -6.053 1.00 0.00 H new ATOM 0 HZ PHE C 82 4.133 1.176 -4.613 1.00 0.00 H new ATOM 1247 N GLU C 83 -0.164 -3.686 -2.169 1.00 0.00 N ATOM 1248 CA GLU C 83 -1.507 -3.167 -2.469 1.00 0.00 C ATOM 1249 C GLU C 83 -2.213 -2.743 -1.197 1.00 0.00 C ATOM 1250 O GLU C 83 -3.045 -1.841 -1.188 1.00 0.00 O ATOM 1251 CB GLU C 83 -2.312 -4.234 -3.216 1.00 0.00 C ATOM 1252 CG GLU C 83 -3.655 -3.754 -3.737 1.00 0.00 C ATOM 1253 CD GLU C 83 -4.378 -4.824 -4.528 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -4.255 -4.834 -5.773 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -5.072 -5.659 -3.912 1.00 0.00 O ATOM 0 H GLU C 83 -0.034 -4.667 -2.416 1.00 0.00 H new ATOM 0 HA GLU C 83 -1.417 -2.286 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -1.719 -4.598 -4.055 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -2.476 -5.081 -2.550 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -4.277 -3.442 -2.898 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -3.506 -2.877 -4.367 1.00 0.00 H new ATOM 1262 N ALA C 84 -1.805 -3.333 -0.111 1.00 0.00 N ATOM 1263 CA ALA C 84 -2.374 -3.010 1.172 1.00 0.00 C ATOM 1264 C ALA C 84 -1.575 -1.880 1.766 1.00 0.00 C ATOM 1265 O ALA C 84 -1.827 -1.445 2.879 1.00 0.00 O ATOM 1266 CB ALA C 84 -2.377 -4.220 2.093 1.00 0.00 C ATOM 0 H ALA C 84 -1.076 -4.046 -0.085 1.00 0.00 H new ATOM 0 HA ALA C 84 -3.414 -2.706 1.049 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -2.812 -3.945 3.054 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -2.967 -5.019 1.643 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -1.354 -4.565 2.244 1.00 0.00 H new ATOM 1272 N ASN C 85 -0.594 -1.418 0.992 1.00 0.00 N ATOM 1273 CA ASN C 85 0.277 -0.337 1.417 1.00 0.00 C ATOM 1274 C ASN C 85 0.196 0.863 0.480 1.00 0.00 C ATOM 1275 O ASN C 85 0.565 1.965 0.872 1.00 0.00 O ATOM 1276 CB ASN C 85 1.728 -0.816 1.536 1.00 0.00 C ATOM 1277 CG ASN C 85 2.022 -1.454 2.882 1.00 0.00 C ATOM 1278 OD1 ASN C 85 2.458 -0.785 3.815 1.00 0.00 O ATOM 1279 ND2 ASN C 85 1.785 -2.749 2.995 1.00 0.00 N ATOM 0 H ASN C 85 -0.386 -1.782 0.062 1.00 0.00 H new ATOM 0 HA ASN C 85 -0.071 -0.017 2.399 1.00 0.00 H new ATOM 0 HB2 ASN C 85 1.936 -1.535 0.744 1.00 0.00 H new ATOM 0 HB3 ASN C 85 2.400 0.029 1.384 1.00 0.00 H new ATOM 0 HD21 ASN C 85 1.964 -3.225 3.879 1.00 0.00 H new ATOM 0 HD22 ASN C 85 1.423 -3.273 2.198 1.00 0.00 H new ATOM 1286 N TYR C 86 -0.282 0.690 -0.757 1.00 0.00 N ATOM 1287 CA TYR C 86 -0.400 1.876 -1.619 1.00 0.00 C ATOM 1288 C TYR C 86 -1.822 2.210 -1.976 1.00 0.00 C ATOM 1289 O TYR C 86 -2.071 3.124 -2.764 1.00 0.00 O ATOM 1290 CB TYR C 86 0.431 1.841 -2.899 1.00 0.00 C ATOM 1291 CG TYR C 86 0.004 0.838 -3.941 1.00 0.00 C ATOM 1292 CD1 TYR C 86 0.099 -0.506 -3.697 1.00 0.00 C ATOM 1293 CD2 TYR C 86 -0.469 1.247 -5.182 1.00 0.00 C ATOM 1294 CE1 TYR C 86 -0.258 -1.435 -4.638 1.00 0.00 C ATOM 1295 CE2 TYR C 86 -0.838 0.323 -6.140 1.00 0.00 C ATOM 1296 CZ TYR C 86 -0.729 -1.022 -5.862 1.00 0.00 C ATOM 1297 OH TYR C 86 -1.080 -1.953 -6.813 1.00 0.00 O ATOM 0 H TYR C 86 -0.577 -0.196 -1.166 1.00 0.00 H new ATOM 0 HA TYR C 86 0.015 2.660 -0.986 1.00 0.00 H new ATOM 0 HB2 TYR C 86 0.409 2.833 -3.349 1.00 0.00 H new ATOM 0 HB3 TYR C 86 1.467 1.636 -2.630 1.00 0.00 H new ATOM 0 HD1 TYR C 86 0.465 -0.842 -2.738 1.00 0.00 H new ATOM 0 HD2 TYR C 86 -0.549 2.302 -5.400 1.00 0.00 H new ATOM 0 HE1 TYR C 86 -0.170 -2.489 -4.419 1.00 0.00 H new ATOM 0 HE2 TYR C 86 -1.209 0.652 -7.099 1.00 0.00 H new ATOM 0 HH TYR C 86 -1.394 -1.494 -7.620 1.00 0.00 H new ATOM 1307 N THR C 87 -2.750 1.521 -1.376 1.00 0.00 N ATOM 1308 CA THR C 87 -4.150 1.740 -1.679 1.00 0.00 C ATOM 1309 C THR C 87 -4.996 1.310 -0.492 1.00 0.00 C ATOM 1310 O THR C 87 -5.672 2.127 0.135 1.00 0.00 O ATOM 1311 CB THR C 87 -4.640 1.002 -2.961 1.00 0.00 C ATOM 1312 OG1 THR C 87 -4.280 -0.379 -2.921 1.00 0.00 O ATOM 1313 CG2 THR C 87 -4.071 1.619 -4.226 1.00 0.00 C ATOM 0 H THR C 87 -2.571 0.803 -0.674 1.00 0.00 H new ATOM 0 HA THR C 87 -4.262 2.806 -1.876 1.00 0.00 H new ATOM 0 HB THR C 87 -5.725 1.103 -2.981 1.00 0.00 H new ATOM 0 HG1 THR C 87 -3.954 -0.606 -2.025 1.00 0.00 H new ATOM 0 HG21 THR C 87 -4.439 1.073 -5.095 1.00 0.00 H new ATOM 0 HG22 THR C 87 -4.382 2.661 -4.294 1.00 0.00 H new ATOM 0 HG23 THR C 87 -2.983 1.566 -4.199 1.00 0.00 H new