USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 541 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 463 ASN : amide:sc= 0.607 K(o=1.2,f=0.17) USER MOD Set 1.2: A 479 SER OG : rot -137:sc= 0.552 USER MOD Set 2.1: A 442 HIS : no HD1:sc= 0.829 K(o=2.1,f=-3) USER MOD Set 2.2: A 444 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 473 SER OG : rot 180:sc= 0 USER MOD Set 2.4: A 500 GLN : amide:sc= 1.26 K(o=2.1,f=-0.052) USER MOD Single : A 439 HIS : no HD1:sc= 0.326 K(o=0.33,f=-1.8!) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.85) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.1) USER MOD Single : A 483 GLN : amide:sc= -0.0572 K(o=-0.057,f=-1.4!) USER MOD Single : A 485 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 489 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 490 THR OG1 : rot 5:sc= 0.0101 USER MOD Single : A 491 SER OG : rot -34:sc= 0.267 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 TYR OH : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 501 THR OG1 : rot 180:sc= 0.345 USER MOD Single : A 502 TYR OH : rot 180:sc= 0 USER MOD Single : A 505 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 173 N ARG A 437 -1.374 -10.027 -7.320 1.00 0.00 N ATOM 174 CA ARG A 437 -1.297 -8.727 -6.611 1.00 0.00 C ATOM 175 C ARG A 437 -0.761 -7.579 -7.488 1.00 0.00 C ATOM 176 O ARG A 437 -0.401 -6.519 -6.982 1.00 0.00 O ATOM 177 CB ARG A 437 -0.470 -8.865 -5.317 1.00 0.00 C ATOM 178 CG ARG A 437 -1.092 -9.821 -4.288 1.00 0.00 C ATOM 179 CD ARG A 437 -0.387 -9.622 -2.947 1.00 0.00 C ATOM 180 NE ARG A 437 -0.765 -10.642 -1.954 1.00 0.00 N ATOM 181 CZ ARG A 437 -0.094 -11.727 -1.615 1.00 0.00 C ATOM 182 NH1 ARG A 437 1.008 -12.095 -2.206 1.00 0.00 N ATOM 183 NH2 ARG A 437 -0.546 -12.473 -0.650 1.00 0.00 N ATOM 0 HA ARG A 437 -2.321 -8.455 -6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 437 0.530 -9.218 -5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 437 -0.355 -7.881 -4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -2.159 -9.625 -4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 437 -0.988 -10.854 -4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 437 0.692 -9.651 -3.100 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -0.628 -8.633 -2.557 1.00 0.00 H new ATOM 0 HE ARG A 437 -1.651 -10.492 -1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 437 1.389 -11.535 -2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 437 1.489 -12.943 -1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 437 -1.407 -12.216 -0.167 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -0.039 -13.315 -0.376 1.00 0.00 H new ATOM 197 N ASP A 438 -0.705 -7.765 -8.808 1.00 0.00 N ATOM 198 CA ASP A 438 -0.226 -6.747 -9.764 1.00 0.00 C ATOM 199 C ASP A 438 -1.095 -5.466 -9.782 1.00 0.00 C ATOM 200 O ASP A 438 -0.639 -4.397 -10.189 1.00 0.00 O ATOM 201 CB ASP A 438 -0.145 -7.396 -11.154 1.00 0.00 C ATOM 202 CG ASP A 438 0.655 -6.557 -12.168 1.00 0.00 C ATOM 203 OD1 ASP A 438 1.817 -6.187 -11.872 1.00 0.00 O ATOM 204 OD2 ASP A 438 0.147 -6.325 -13.292 1.00 0.00 O ATOM 0 H ASP A 438 -0.993 -8.635 -9.255 1.00 0.00 H new ATOM 0 HA ASP A 438 0.760 -6.410 -9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 438 0.315 -8.380 -11.063 1.00 0.00 H new ATOM 0 HB3 ASP A 438 -1.154 -7.550 -11.535 1.00 0.00 H new ATOM 209 N HIS A 439 -2.336 -5.566 -9.291 1.00 0.00 N ATOM 210 CA HIS A 439 -3.317 -4.486 -9.108 1.00 0.00 C ATOM 211 C HIS A 439 -3.313 -3.873 -7.687 1.00 0.00 C ATOM 212 O HIS A 439 -4.240 -3.140 -7.331 1.00 0.00 O ATOM 213 CB HIS A 439 -4.701 -5.052 -9.463 1.00 0.00 C ATOM 214 CG HIS A 439 -5.178 -6.117 -8.499 1.00 0.00 C ATOM 215 ND1 HIS A 439 -4.626 -7.397 -8.360 1.00 0.00 N ATOM 216 CD2 HIS A 439 -6.188 -5.971 -7.595 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.325 -7.992 -7.376 1.00 0.00 C ATOM 218 NE2 HIS A 439 -6.266 -7.158 -6.899 1.00 0.00 N ATOM 0 H HIS A 439 -2.709 -6.466 -8.990 1.00 0.00 H new ATOM 0 HA HIS A 439 -3.047 -3.660 -9.766 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.425 -4.238 -9.481 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.667 -5.471 -10.469 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -6.806 -5.097 -7.452 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -5.154 -8.997 -7.020 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -6.925 -7.368 -6.150 1.00 0.00 H new ATOM 226 N VAL A 440 -2.295 -4.167 -6.864 1.00 0.00 N ATOM 227 CA VAL A 440 -2.233 -3.816 -5.429 1.00 0.00 C ATOM 228 C VAL A 440 -1.028 -2.922 -5.117 1.00 0.00 C ATOM 229 O VAL A 440 0.079 -3.104 -5.632 1.00 0.00 O ATOM 230 CB VAL A 440 -2.206 -5.082 -4.537 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.296 -4.757 -3.038 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.365 -6.038 -4.854 1.00 0.00 C ATOM 0 H VAL A 440 -1.467 -4.670 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.140 -3.255 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.248 -5.551 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.273 -5.683 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.452 -4.130 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.227 -4.228 -2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -3.305 -6.911 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.314 -5.527 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.301 -6.355 -5.895 1.00 0.00 H new ATOM 242 N LEU A 441 -1.257 -1.968 -4.216 1.00 0.00 N ATOM 243 CA LEU A 441 -0.298 -1.003 -3.682 1.00 0.00 C ATOM 244 C LEU A 441 -0.110 -1.194 -2.172 1.00 0.00 C ATOM 245 O LEU A 441 -0.929 -1.818 -1.495 1.00 0.00 O ATOM 246 CB LEU A 441 -0.855 0.416 -3.922 1.00 0.00 C ATOM 247 CG LEU A 441 -0.966 0.842 -5.392 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.845 2.082 -5.493 1.00 0.00 C ATOM 249 CD2 LEU A 441 0.403 1.190 -5.970 1.00 0.00 C ATOM 0 H LEU A 441 -2.184 -1.840 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 441 0.661 -1.147 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -1.843 0.481 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -0.217 1.131 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 441 -1.393 0.009 -5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -1.926 2.387 -6.536 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.838 1.857 -5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -1.402 2.891 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 441 0.293 1.488 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 441 0.840 2.011 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 441 1.056 0.319 -5.909 1.00 0.00 H new ATOM 261 N HIS A 442 0.930 -0.563 -1.641 1.00 0.00 N ATOM 262 CA HIS A 442 1.201 -0.366 -0.218 1.00 0.00 C ATOM 263 C HIS A 442 1.354 1.139 0.028 1.00 0.00 C ATOM 264 O HIS A 442 1.903 1.864 -0.805 1.00 0.00 O ATOM 265 CB HIS A 442 2.465 -1.132 0.192 1.00 0.00 C ATOM 266 CG HIS A 442 2.979 -0.723 1.550 1.00 0.00 C ATOM 267 ND1 HIS A 442 4.107 0.072 1.775 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.352 -0.942 2.742 1.00 0.00 C ATOM 269 CE1 HIS A 442 4.141 0.298 3.100 1.00 0.00 C ATOM 270 NE2 HIS A 442 3.100 -0.298 3.704 1.00 0.00 N ATOM 0 H HIS A 442 1.654 -0.148 -2.228 1.00 0.00 H new ATOM 0 HA HIS A 442 0.381 -0.752 0.388 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.252 -2.201 0.196 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.244 -0.965 -0.552 1.00 0.00 H new ATOM 0 HD2 HIS A 442 1.447 -1.509 2.901 1.00 0.00 H new ATOM 0 HE1 HIS A 442 4.899 0.877 3.607 1.00 0.00 H new ATOM 0 HE2 HIS A 442 2.898 -0.278 4.704 1.00 0.00 H new ATOM 278 N VAL A 443 0.848 1.602 1.169 1.00 0.00 N ATOM 279 CA VAL A 443 0.722 3.021 1.519 1.00 0.00 C ATOM 280 C VAL A 443 1.202 3.224 2.952 1.00 0.00 C ATOM 281 O VAL A 443 0.871 2.430 3.838 1.00 0.00 O ATOM 282 CB VAL A 443 -0.739 3.502 1.385 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.843 5.034 1.412 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.393 3.034 0.080 1.00 0.00 C ATOM 0 H VAL A 443 0.502 0.982 1.901 1.00 0.00 H new ATOM 0 HA VAL A 443 1.333 3.606 0.831 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.256 3.066 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -1.888 5.330 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.446 5.409 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -0.269 5.452 0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.419 3.399 0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -0.832 3.425 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.394 1.945 0.044 1.00 0.00 H new ATOM 294 N THR A 444 1.943 4.308 3.183 1.00 0.00 N ATOM 295 CA THR A 444 2.492 4.687 4.495 1.00 0.00 C ATOM 296 C THR A 444 2.060 6.113 4.840 1.00 0.00 C ATOM 297 O THR A 444 2.095 7.001 3.984 1.00 0.00 O ATOM 298 CB THR A 444 4.028 4.593 4.526 1.00 0.00 C ATOM 299 OG1 THR A 444 4.504 3.440 3.861 1.00 0.00 O ATOM 300 CG2 THR A 444 4.559 4.511 5.957 1.00 0.00 C ATOM 0 H THR A 444 2.187 4.968 2.445 1.00 0.00 H new ATOM 0 HA THR A 444 2.101 3.986 5.232 1.00 0.00 H new ATOM 0 HB THR A 444 4.379 5.497 4.028 1.00 0.00 H new ATOM 0 HG1 THR A 444 5.483 3.419 3.902 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.647 4.446 5.938 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.258 5.402 6.508 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.151 3.627 6.446 1.00 0.00 H new ATOM 308 N PHE A 445 1.632 6.333 6.083 1.00 0.00 N ATOM 309 CA PHE A 445 0.983 7.570 6.537 1.00 0.00 C ATOM 310 C PHE A 445 1.147 7.787 8.060 1.00 0.00 C ATOM 311 O PHE A 445 1.281 6.810 8.803 1.00 0.00 O ATOM 312 CB PHE A 445 -0.514 7.501 6.167 1.00 0.00 C ATOM 313 CG PHE A 445 -1.180 6.152 6.415 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.582 5.773 7.710 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.344 5.246 5.349 1.00 0.00 C ATOM 316 CE1 PHE A 445 -2.117 4.493 7.939 1.00 0.00 C ATOM 317 CE2 PHE A 445 -1.875 3.966 5.576 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.255 3.586 6.874 1.00 0.00 C ATOM 0 H PHE A 445 1.728 5.639 6.824 1.00 0.00 H new ATOM 0 HA PHE A 445 1.461 8.416 6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -1.048 8.262 6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -0.624 7.755 5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.479 6.468 8.530 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -1.059 5.538 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.422 4.206 8.934 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -1.991 3.275 4.754 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.653 2.598 7.053 1.00 0.00 H new ATOM 328 N PRO A 446 1.118 9.041 8.556 1.00 0.00 N ATOM 329 CA PRO A 446 1.037 9.351 9.987 1.00 0.00 C ATOM 330 C PRO A 446 -0.124 8.636 10.697 1.00 0.00 C ATOM 331 O PRO A 446 -1.202 8.461 10.121 1.00 0.00 O ATOM 332 CB PRO A 446 0.864 10.874 10.070 1.00 0.00 C ATOM 333 CG PRO A 446 1.495 11.383 8.776 1.00 0.00 C ATOM 334 CD PRO A 446 1.194 10.268 7.778 1.00 0.00 C ATOM 0 HA PRO A 446 1.936 9.002 10.496 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -0.187 11.154 10.140 1.00 0.00 H new ATOM 0 HB3 PRO A 446 1.363 11.286 10.947 1.00 0.00 H new ATOM 0 HG2 PRO A 446 1.060 12.332 8.462 1.00 0.00 H new ATOM 0 HG3 PRO A 446 2.567 11.545 8.887 1.00 0.00 H new ATOM 0 HD2 PRO A 446 0.257 10.456 7.254 1.00 0.00 H new ATOM 0 HD3 PRO A 446 1.975 10.202 7.020 1.00 0.00 H new ATOM 342 N LYS A 447 0.057 8.285 11.977 1.00 0.00 N ATOM 343 CA LYS A 447 -0.935 7.557 12.802 1.00 0.00 C ATOM 344 C LYS A 447 -2.304 8.242 12.943 1.00 0.00 C ATOM 345 O LYS A 447 -3.280 7.586 13.304 1.00 0.00 O ATOM 346 CB LYS A 447 -0.327 7.230 14.181 1.00 0.00 C ATOM 347 CG LYS A 447 -0.053 8.477 15.046 1.00 0.00 C ATOM 348 CD LYS A 447 0.601 8.144 16.396 1.00 0.00 C ATOM 349 CE LYS A 447 -0.339 7.354 17.319 1.00 0.00 C ATOM 350 NZ LYS A 447 0.277 7.124 18.651 1.00 0.00 N ATOM 0 H LYS A 447 0.914 8.501 12.486 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.155 6.638 12.258 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.004 6.566 14.719 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.606 6.685 14.037 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.594 9.159 14.494 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -0.992 9.002 15.224 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.509 7.566 16.225 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.900 9.068 16.890 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.276 7.898 17.439 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.583 6.396 16.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.383 6.588 19.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 1.158 6.584 18.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 0.487 8.039 19.099 1.00 0.00 H new ATOM 364 N GLU A 448 -2.378 9.544 12.668 1.00 0.00 N ATOM 365 CA GLU A 448 -3.599 10.362 12.724 1.00 0.00 C ATOM 366 C GLU A 448 -4.494 10.242 11.470 1.00 0.00 C ATOM 367 O GLU A 448 -5.664 10.634 11.524 1.00 0.00 O ATOM 368 CB GLU A 448 -3.214 11.837 12.933 1.00 0.00 C ATOM 369 CG GLU A 448 -2.487 12.079 14.265 1.00 0.00 C ATOM 370 CD GLU A 448 -2.213 13.581 14.477 1.00 0.00 C ATOM 371 OE1 GLU A 448 -1.156 14.083 14.021 1.00 0.00 O ATOM 372 OE2 GLU A 448 -3.050 14.274 15.109 1.00 0.00 O ATOM 0 H GLU A 448 -1.559 10.083 12.389 1.00 0.00 H new ATOM 0 HA GLU A 448 -4.186 9.982 13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.575 12.161 12.111 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -4.114 12.451 12.898 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -3.090 11.696 15.088 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -1.546 11.529 14.276 1.00 0.00 H new ATOM 379 N TRP A 449 -3.984 9.708 10.350 1.00 0.00 N ATOM 380 CA TRP A 449 -4.783 9.455 9.138 1.00 0.00 C ATOM 381 C TRP A 449 -5.923 8.461 9.389 1.00 0.00 C ATOM 382 O TRP A 449 -5.792 7.544 10.207 1.00 0.00 O ATOM 383 CB TRP A 449 -3.897 8.926 7.997 1.00 0.00 C ATOM 384 CG TRP A 449 -3.228 9.959 7.143 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.463 10.986 7.577 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.265 10.076 5.685 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.030 11.731 6.496 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.500 11.219 5.304 1.00 0.00 C ATOM 389 CE3 TRP A 449 -3.876 9.337 4.647 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.355 11.614 3.965 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -3.744 9.730 3.300 1.00 0.00 C ATOM 392 CH2 TRP A 449 -2.986 10.864 2.958 1.00 0.00 C ATOM 0 H TRP A 449 -3.005 9.438 10.257 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.220 10.412 8.853 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -3.126 8.288 8.430 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.509 8.294 7.353 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -2.226 11.193 8.610 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -1.436 12.557 6.570 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -4.453 8.457 4.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -1.766 12.483 3.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -4.229 9.156 2.524 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -2.889 11.158 1.923 1.00 0.00 H new ATOM 403 N LYS A 450 -7.006 8.597 8.619 1.00 0.00 N ATOM 404 CA LYS A 450 -8.210 7.750 8.661 1.00 0.00 C ATOM 405 C LYS A 450 -8.454 7.039 7.327 1.00 0.00 C ATOM 406 O LYS A 450 -7.947 7.453 6.282 1.00 0.00 O ATOM 407 CB LYS A 450 -9.438 8.624 9.001 1.00 0.00 C ATOM 408 CG LYS A 450 -9.333 9.484 10.272 1.00 0.00 C ATOM 409 CD LYS A 450 -9.195 8.658 11.554 1.00 0.00 C ATOM 410 CE LYS A 450 -9.173 9.606 12.759 1.00 0.00 C ATOM 411 NZ LYS A 450 -9.112 8.855 14.035 1.00 0.00 N ATOM 0 H LYS A 450 -7.074 9.333 7.916 1.00 0.00 H new ATOM 0 HA LYS A 450 -8.056 6.989 9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -9.632 9.285 8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -10.305 7.971 9.101 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -8.474 10.149 10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -10.218 10.116 10.349 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -10.025 7.957 11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -8.280 8.066 11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -8.313 10.271 12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -10.064 10.234 12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -9.098 9.524 14.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -9.946 8.238 14.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -8.249 8.275 14.055 1.00 0.00 H new ATOM 425 N THR A 451 -9.323 6.029 7.337 1.00 0.00 N ATOM 426 CA THR A 451 -9.883 5.384 6.136 1.00 0.00 C ATOM 427 C THR A 451 -10.478 6.415 5.170 1.00 0.00 C ATOM 428 O THR A 451 -10.363 6.272 3.956 1.00 0.00 O ATOM 429 CB THR A 451 -10.997 4.396 6.518 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.724 3.722 7.728 1.00 0.00 O ATOM 431 CG2 THR A 451 -11.240 3.355 5.429 1.00 0.00 C ATOM 0 H THR A 451 -9.671 5.620 8.204 1.00 0.00 H new ATOM 0 HA THR A 451 -9.061 4.859 5.650 1.00 0.00 H new ATOM 0 HB THR A 451 -11.892 5.006 6.642 1.00 0.00 H new ATOM 0 HG1 THR A 451 -11.458 3.106 7.932 1.00 0.00 H new ATOM 0 HG21 THR A 451 -12.035 2.679 5.743 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.533 3.856 4.506 1.00 0.00 H new ATOM 0 HG23 THR A 451 -10.326 2.786 5.259 1.00 0.00 H new ATOM 439 N SER A 452 -11.066 7.496 5.692 1.00 0.00 N ATOM 440 CA SER A 452 -11.588 8.604 4.885 1.00 0.00 C ATOM 441 C SER A 452 -10.503 9.387 4.139 1.00 0.00 C ATOM 442 O SER A 452 -10.680 9.708 2.965 1.00 0.00 O ATOM 443 CB SER A 452 -12.343 9.590 5.773 1.00 0.00 C ATOM 444 OG SER A 452 -13.479 8.970 6.360 1.00 0.00 O ATOM 0 H SER A 452 -11.194 7.628 6.695 1.00 0.00 H new ATOM 0 HA SER A 452 -12.242 8.143 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 452 -11.681 9.963 6.555 1.00 0.00 H new ATOM 0 HB3 SER A 452 -12.657 10.451 5.183 1.00 0.00 H new ATOM 0 HG SER A 452 -13.949 9.617 6.927 1.00 0.00 H new ATOM 450 N ASP A 453 -9.361 9.669 4.779 1.00 0.00 N ATOM 451 CA ASP A 453 -8.205 10.298 4.116 1.00 0.00 C ATOM 452 C ASP A 453 -7.615 9.377 3.037 1.00 0.00 C ATOM 453 O ASP A 453 -7.130 9.845 2.008 1.00 0.00 O ATOM 454 CB ASP A 453 -7.103 10.641 5.129 1.00 0.00 C ATOM 455 CG ASP A 453 -7.568 11.597 6.233 1.00 0.00 C ATOM 456 OD1 ASP A 453 -7.956 12.750 5.924 1.00 0.00 O ATOM 457 OD2 ASP A 453 -7.528 11.192 7.418 1.00 0.00 O ATOM 0 H ASP A 453 -9.210 9.469 5.768 1.00 0.00 H new ATOM 0 HA ASP A 453 -8.567 11.215 3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -6.740 9.720 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.261 11.089 4.601 1.00 0.00 H new ATOM 462 N LEU A 454 -7.708 8.062 3.248 1.00 0.00 N ATOM 463 CA LEU A 454 -7.295 7.052 2.271 1.00 0.00 C ATOM 464 C LEU A 454 -8.252 7.015 1.063 1.00 0.00 C ATOM 465 O LEU A 454 -7.801 7.106 -0.077 1.00 0.00 O ATOM 466 CB LEU A 454 -7.163 5.684 2.971 1.00 0.00 C ATOM 467 CG LEU A 454 -5.927 5.556 3.880 1.00 0.00 C ATOM 468 CD1 LEU A 454 -6.009 4.238 4.651 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.611 5.563 3.096 1.00 0.00 C ATOM 0 H LEU A 454 -8.076 7.664 4.112 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.318 7.317 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -8.058 5.506 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -7.124 4.903 2.212 1.00 0.00 H new ATOM 0 HG LEU A 454 -5.930 6.419 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -5.137 4.140 5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -6.914 4.228 5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -6.035 3.406 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -3.774 5.470 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.599 4.726 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.522 6.498 2.543 1.00 0.00 H new ATOM 481 N TYR A 455 -9.569 6.991 1.280 1.00 0.00 N ATOM 482 CA TYR A 455 -10.554 7.143 0.198 1.00 0.00 C ATOM 483 C TYR A 455 -10.425 8.483 -0.552 1.00 0.00 C ATOM 484 O TYR A 455 -10.652 8.520 -1.761 1.00 0.00 O ATOM 485 CB TYR A 455 -11.982 6.928 0.727 1.00 0.00 C ATOM 486 CG TYR A 455 -12.475 5.499 0.561 1.00 0.00 C ATOM 487 CD1 TYR A 455 -12.127 4.511 1.503 1.00 0.00 C ATOM 488 CD2 TYR A 455 -13.257 5.151 -0.559 1.00 0.00 C ATOM 489 CE1 TYR A 455 -12.562 3.183 1.333 1.00 0.00 C ATOM 490 CE2 TYR A 455 -13.695 3.822 -0.734 1.00 0.00 C ATOM 491 CZ TYR A 455 -13.347 2.834 0.213 1.00 0.00 C ATOM 492 OH TYR A 455 -13.758 1.545 0.052 1.00 0.00 O ATOM 0 H TYR A 455 -9.984 6.867 2.203 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.337 6.367 -0.536 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -12.015 7.196 1.783 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -12.661 7.602 0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -11.524 4.774 2.359 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -13.522 5.905 -1.286 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -12.295 2.431 2.060 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -14.296 3.560 -1.592 1.00 0.00 H new ATOM 0 HH TYR A 455 -14.290 1.471 -0.768 1.00 0.00 H new ATOM 502 N GLN A 456 -10.011 9.567 0.116 1.00 0.00 N ATOM 503 CA GLN A 456 -9.706 10.854 -0.524 1.00 0.00 C ATOM 504 C GLN A 456 -8.425 10.787 -1.382 1.00 0.00 C ATOM 505 O GLN A 456 -8.424 11.272 -2.516 1.00 0.00 O ATOM 506 CB GLN A 456 -9.629 11.948 0.560 1.00 0.00 C ATOM 507 CG GLN A 456 -9.666 13.389 0.019 1.00 0.00 C ATOM 508 CD GLN A 456 -8.363 13.876 -0.624 1.00 0.00 C ATOM 509 OE1 GLN A 456 -7.257 13.543 -0.214 1.00 0.00 O ATOM 510 NE2 GLN A 456 -8.438 14.696 -1.653 1.00 0.00 N ATOM 0 H GLN A 456 -9.877 9.576 1.127 1.00 0.00 H new ATOM 0 HA GLN A 456 -10.508 11.104 -1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -10.459 11.813 1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.711 11.812 1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -10.466 13.464 -0.717 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -9.922 14.061 0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -9.349 14.985 -2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -7.585 15.041 -2.093 1.00 0.00 H new ATOM 519 N LEU A 457 -7.359 10.137 -0.892 1.00 0.00 N ATOM 520 CA LEU A 457 -6.072 9.975 -1.587 1.00 0.00 C ATOM 521 C LEU A 457 -6.214 9.184 -2.900 1.00 0.00 C ATOM 522 O LEU A 457 -5.537 9.484 -3.886 1.00 0.00 O ATOM 523 CB LEU A 457 -5.080 9.301 -0.613 1.00 0.00 C ATOM 524 CG LEU A 457 -3.705 8.934 -1.204 1.00 0.00 C ATOM 525 CD1 LEU A 457 -2.954 10.153 -1.737 1.00 0.00 C ATOM 526 CD2 LEU A 457 -2.834 8.271 -0.134 1.00 0.00 C ATOM 0 H LEU A 457 -7.368 9.696 0.027 1.00 0.00 H new ATOM 0 HA LEU A 457 -5.693 10.955 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -4.924 9.967 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.542 8.393 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.895 8.253 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -1.992 9.839 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.541 10.627 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -2.792 10.864 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -1.864 8.015 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.693 8.960 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.323 7.365 0.223 1.00 0.00 H new ATOM 538 N PHE A 458 -7.138 8.222 -2.929 1.00 0.00 N ATOM 539 CA PHE A 458 -7.404 7.352 -4.085 1.00 0.00 C ATOM 540 C PHE A 458 -8.740 7.663 -4.797 1.00 0.00 C ATOM 541 O PHE A 458 -9.184 6.901 -5.659 1.00 0.00 O ATOM 542 CB PHE A 458 -7.271 5.886 -3.644 1.00 0.00 C ATOM 543 CG PHE A 458 -5.863 5.494 -3.230 1.00 0.00 C ATOM 544 CD1 PHE A 458 -4.902 5.191 -4.211 1.00 0.00 C ATOM 545 CD2 PHE A 458 -5.498 5.441 -1.871 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.588 4.867 -3.842 1.00 0.00 C ATOM 547 CE2 PHE A 458 -4.179 5.131 -1.500 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.221 4.845 -2.486 1.00 0.00 C ATOM 0 H PHE A 458 -7.739 8.018 -2.131 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.656 7.554 -4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -7.948 5.705 -2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.592 5.240 -4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -5.177 5.208 -5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -6.237 5.640 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.857 4.634 -4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -3.902 5.113 -0.456 1.00 0.00 H new ATOM 0 HZ PHE A 458 -2.206 4.609 -2.203 1.00 0.00 H new ATOM 558 N SER A 459 -9.368 8.806 -4.489 1.00 0.00 N ATOM 559 CA SER A 459 -10.629 9.272 -5.101 1.00 0.00 C ATOM 560 C SER A 459 -10.557 9.381 -6.635 1.00 0.00 C ATOM 561 O SER A 459 -11.544 9.124 -7.331 1.00 0.00 O ATOM 562 CB SER A 459 -11.013 10.628 -4.492 1.00 0.00 C ATOM 563 OG SER A 459 -12.301 11.041 -4.921 1.00 0.00 O ATOM 0 H SER A 459 -9.006 9.453 -3.788 1.00 0.00 H new ATOM 0 HA SER A 459 -11.391 8.524 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 459 -10.995 10.559 -3.404 1.00 0.00 H new ATOM 0 HB3 SER A 459 -10.275 11.378 -4.776 1.00 0.00 H new ATOM 0 HG SER A 459 -12.519 11.906 -4.516 1.00 0.00 H new ATOM 569 N ALA A 460 -9.367 9.672 -7.176 1.00 0.00 N ATOM 570 CA ALA A 460 -9.070 9.722 -8.612 1.00 0.00 C ATOM 571 C ALA A 460 -9.336 8.407 -9.383 1.00 0.00 C ATOM 572 O ALA A 460 -9.405 8.427 -10.617 1.00 0.00 O ATOM 573 CB ALA A 460 -7.607 10.160 -8.769 1.00 0.00 C ATOM 0 H ALA A 460 -8.552 9.888 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 460 -9.760 10.436 -9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -7.353 10.207 -9.828 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -7.471 11.143 -8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -6.956 9.441 -8.272 1.00 0.00 H new ATOM 579 N PHE A 461 -9.510 7.278 -8.683 1.00 0.00 N ATOM 580 CA PHE A 461 -9.683 5.940 -9.272 1.00 0.00 C ATOM 581 C PHE A 461 -11.099 5.357 -9.081 1.00 0.00 C ATOM 582 O PHE A 461 -11.405 4.295 -9.628 1.00 0.00 O ATOM 583 CB PHE A 461 -8.588 5.016 -8.710 1.00 0.00 C ATOM 584 CG PHE A 461 -7.184 5.588 -8.836 1.00 0.00 C ATOM 585 CD1 PHE A 461 -6.642 5.848 -10.108 1.00 0.00 C ATOM 586 CD2 PHE A 461 -6.443 5.923 -7.689 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.364 6.419 -10.234 1.00 0.00 C ATOM 588 CE2 PHE A 461 -5.165 6.502 -7.812 1.00 0.00 C ATOM 589 CZ PHE A 461 -4.623 6.744 -9.085 1.00 0.00 C ATOM 0 H PHE A 461 -9.535 7.268 -7.663 1.00 0.00 H new ATOM 0 HA PHE A 461 -9.575 6.024 -10.353 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -8.797 4.817 -7.659 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -8.629 4.059 -9.230 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -7.212 5.607 -10.993 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.856 5.735 -6.709 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.951 6.608 -11.214 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.602 6.760 -6.927 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.639 7.179 -9.181 1.00 0.00 H new ATOM 599 N GLY A 462 -11.977 6.047 -8.342 1.00 0.00 N ATOM 600 CA GLY A 462 -13.421 5.775 -8.217 1.00 0.00 C ATOM 601 C GLY A 462 -13.836 4.544 -7.392 1.00 0.00 C ATOM 602 O GLY A 462 -14.894 4.564 -6.756 1.00 0.00 O ATOM 0 H GLY A 462 -11.688 6.852 -7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -13.893 6.653 -7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -13.832 5.663 -9.220 1.00 0.00 H new ATOM 606 N ASN A 463 -13.020 3.487 -7.368 1.00 0.00 N ATOM 607 CA ASN A 463 -13.285 2.212 -6.693 1.00 0.00 C ATOM 608 C ASN A 463 -11.973 1.582 -6.189 1.00 0.00 C ATOM 609 O ASN A 463 -11.016 1.437 -6.956 1.00 0.00 O ATOM 610 CB ASN A 463 -14.005 1.288 -7.694 1.00 0.00 C ATOM 611 CG ASN A 463 -14.127 -0.138 -7.181 1.00 0.00 C ATOM 612 OD1 ASN A 463 -14.902 -0.435 -6.282 1.00 0.00 O ATOM 613 ND2 ASN A 463 -13.355 -1.059 -7.715 1.00 0.00 N ATOM 0 H ASN A 463 -12.116 3.496 -7.840 1.00 0.00 H new ATOM 0 HA ASN A 463 -13.917 2.368 -5.818 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -15.000 1.684 -7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -13.461 1.286 -8.639 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -13.402 -2.021 -7.380 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -12.709 -0.811 -8.464 1.00 0.00 H new ATOM 620 N ILE A 464 -11.945 1.197 -4.908 1.00 0.00 N ATOM 621 CA ILE A 464 -10.773 0.646 -4.204 1.00 0.00 C ATOM 622 C ILE A 464 -11.171 -0.409 -3.154 1.00 0.00 C ATOM 623 O ILE A 464 -12.353 -0.588 -2.847 1.00 0.00 O ATOM 624 CB ILE A 464 -9.946 1.775 -3.524 1.00 0.00 C ATOM 625 CG1 ILE A 464 -10.694 2.447 -2.346 1.00 0.00 C ATOM 626 CG2 ILE A 464 -9.472 2.823 -4.540 1.00 0.00 C ATOM 627 CD1 ILE A 464 -9.878 3.530 -1.631 1.00 0.00 C ATOM 0 H ILE A 464 -12.767 1.262 -4.307 1.00 0.00 H new ATOM 0 HA ILE A 464 -10.158 0.157 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 464 -9.067 1.288 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -11.618 2.889 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -10.976 1.681 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -8.898 3.594 -4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -8.844 2.344 -5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -10.336 3.276 -5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -10.469 3.954 -0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -8.966 3.091 -1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -9.618 4.317 -2.339 1.00 0.00 H new ATOM 639 N GLN A 465 -10.171 -1.062 -2.559 1.00 0.00 N ATOM 640 CA GLN A 465 -10.302 -1.912 -1.367 1.00 0.00 C ATOM 641 C GLN A 465 -9.066 -1.702 -0.477 1.00 0.00 C ATOM 642 O GLN A 465 -7.969 -1.508 -1.003 1.00 0.00 O ATOM 643 CB GLN A 465 -10.455 -3.386 -1.787 1.00 0.00 C ATOM 644 CG GLN A 465 -11.055 -4.253 -0.667 1.00 0.00 C ATOM 645 CD GLN A 465 -11.287 -5.709 -1.081 1.00 0.00 C ATOM 646 OE1 GLN A 465 -10.741 -6.226 -2.049 1.00 0.00 O ATOM 647 NE2 GLN A 465 -12.116 -6.438 -0.359 1.00 0.00 N ATOM 0 H GLN A 465 -9.212 -1.014 -2.904 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.193 -1.640 -0.801 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -11.091 -3.446 -2.670 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -9.480 -3.784 -2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -10.389 -4.230 0.196 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -12.003 -3.818 -0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -12.582 -6.029 0.451 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -12.291 -7.411 -0.611 1.00 0.00 H new ATOM 656 N ILE A 466 -9.222 -1.736 0.852 1.00 0.00 N ATOM 657 CA ILE A 466 -8.164 -1.386 1.821 1.00 0.00 C ATOM 658 C ILE A 466 -7.989 -2.522 2.841 1.00 0.00 C ATOM 659 O ILE A 466 -8.972 -3.020 3.400 1.00 0.00 O ATOM 660 CB ILE A 466 -8.477 -0.038 2.527 1.00 0.00 C ATOM 661 CG1 ILE A 466 -8.721 1.101 1.501 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.336 0.337 3.499 1.00 0.00 C ATOM 663 CD1 ILE A 466 -9.048 2.466 2.125 1.00 0.00 C ATOM 0 H ILE A 466 -10.098 -2.011 1.296 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.225 -1.259 1.282 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.396 -0.166 3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -7.834 1.205 0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.541 0.811 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -7.569 1.284 3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.230 -0.443 4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.403 0.435 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -9.203 3.200 1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -9.954 2.384 2.726 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -8.220 2.784 2.758 1.00 0.00 H new ATOM 675 N SER A 467 -6.735 -2.904 3.105 1.00 0.00 N ATOM 676 CA SER A 467 -6.346 -3.969 4.035 1.00 0.00 C ATOM 677 C SER A 467 -5.147 -3.529 4.886 1.00 0.00 C ATOM 678 O SER A 467 -4.015 -3.476 4.404 1.00 0.00 O ATOM 679 CB SER A 467 -6.000 -5.240 3.251 1.00 0.00 C ATOM 680 OG SER A 467 -7.142 -5.789 2.606 1.00 0.00 O ATOM 0 H SER A 467 -5.931 -2.462 2.659 1.00 0.00 H new ATOM 0 HA SER A 467 -7.183 -4.176 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 467 -5.237 -5.012 2.507 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.574 -5.980 3.928 1.00 0.00 H new ATOM 0 HG SER A 467 -6.884 -6.597 2.115 1.00 0.00 H new ATOM 686 N TRP A 468 -5.394 -3.165 6.144 1.00 0.00 N ATOM 687 CA TRP A 468 -4.384 -2.655 7.083 1.00 0.00 C ATOM 688 C TRP A 468 -3.239 -3.642 7.378 1.00 0.00 C ATOM 689 O TRP A 468 -3.400 -4.861 7.261 1.00 0.00 O ATOM 690 CB TRP A 468 -5.075 -2.271 8.396 1.00 0.00 C ATOM 691 CG TRP A 468 -6.196 -1.287 8.255 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.507 -1.595 8.171 1.00 0.00 C ATOM 693 CD2 TRP A 468 -6.126 0.169 8.201 1.00 0.00 C ATOM 694 NE1 TRP A 468 -8.245 -0.443 7.971 1.00 0.00 N ATOM 695 CE2 TRP A 468 -7.438 0.674 7.959 1.00 0.00 C ATOM 696 CE3 TRP A 468 -5.089 1.115 8.352 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -7.695 2.042 7.791 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -5.344 2.493 8.207 1.00 0.00 C ATOM 699 CH2 TRP A 468 -6.638 2.958 7.909 1.00 0.00 C ATOM 0 H TRP A 468 -6.327 -3.217 6.554 1.00 0.00 H new ATOM 0 HA TRP A 468 -3.922 -1.792 6.603 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -5.462 -3.176 8.864 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -4.329 -1.856 9.074 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -7.918 -2.591 8.248 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -9.257 -0.423 7.848 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -4.089 0.778 8.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -8.695 2.387 7.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -4.537 3.201 8.326 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -6.817 4.014 7.772 1.00 0.00 H new ATOM 710 N ILE A 469 -2.107 -3.104 7.847 1.00 0.00 N ATOM 711 CA ILE A 469 -0.958 -3.878 8.362 1.00 0.00 C ATOM 712 C ILE A 469 -0.426 -3.316 9.692 1.00 0.00 C ATOM 713 O ILE A 469 0.105 -4.067 10.511 1.00 0.00 O ATOM 714 CB ILE A 469 0.219 -3.973 7.349 1.00 0.00 C ATOM 715 CG1 ILE A 469 -0.123 -3.587 5.892 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.782 -5.405 7.409 1.00 0.00 C ATOM 717 CD1 ILE A 469 1.086 -3.548 4.953 1.00 0.00 C ATOM 0 H ILE A 469 -1.955 -2.096 7.882 1.00 0.00 H new ATOM 0 HA ILE A 469 -1.352 -4.881 8.526 1.00 0.00 H new ATOM 0 HB ILE A 469 0.955 -3.229 7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -0.850 -4.298 5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -0.602 -2.608 5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 469 1.610 -5.500 6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 469 1.136 -5.615 8.418 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -0.001 -6.115 7.144 1.00 0.00 H new ATOM 0 HD11 ILE A 469 0.760 -3.269 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 469 1.806 -2.815 5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 469 1.554 -4.532 4.921 1.00 0.00 H new ATOM 729 N ASP A 470 -0.576 -2.009 9.929 1.00 0.00 N ATOM 730 CA ASP A 470 -0.123 -1.318 11.144 1.00 0.00 C ATOM 731 C ASP A 470 -0.959 -0.047 11.417 1.00 0.00 C ATOM 732 O ASP A 470 -1.853 0.312 10.646 1.00 0.00 O ATOM 733 CB ASP A 470 1.374 -0.969 10.993 1.00 0.00 C ATOM 734 CG ASP A 470 2.154 -1.127 12.309 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.911 -0.342 13.254 1.00 0.00 O ATOM 736 OD2 ASP A 470 3.012 -2.039 12.399 1.00 0.00 O ATOM 0 H ASP A 470 -1.029 -1.383 9.263 1.00 0.00 H new ATOM 0 HA ASP A 470 -0.260 -1.979 12.000 1.00 0.00 H new ATOM 0 HB2 ASP A 470 1.818 -1.611 10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.470 0.057 10.639 1.00 0.00 H new ATOM 741 N ASP A 471 -0.618 0.681 12.480 1.00 0.00 N ATOM 742 CA ASP A 471 -1.170 2.010 12.805 1.00 0.00 C ATOM 743 C ASP A 471 -0.869 3.071 11.724 1.00 0.00 C ATOM 744 O ASP A 471 -1.544 4.102 11.648 1.00 0.00 O ATOM 745 CB ASP A 471 -0.584 2.482 14.144 1.00 0.00 C ATOM 746 CG ASP A 471 -1.169 1.729 15.349 1.00 0.00 C ATOM 747 OD1 ASP A 471 -2.267 2.121 15.814 1.00 0.00 O ATOM 748 OD2 ASP A 471 -0.519 0.791 15.872 1.00 0.00 O ATOM 0 H ASP A 471 0.069 0.360 13.162 1.00 0.00 H new ATOM 0 HA ASP A 471 -2.253 1.903 12.860 1.00 0.00 H new ATOM 0 HB2 ASP A 471 0.498 2.349 14.129 1.00 0.00 H new ATOM 0 HB3 ASP A 471 -0.773 3.549 14.262 1.00 0.00 H new ATOM 753 N THR A 472 0.139 2.811 10.887 1.00 0.00 N ATOM 754 CA THR A 472 0.755 3.742 9.924 1.00 0.00 C ATOM 755 C THR A 472 0.927 3.145 8.517 1.00 0.00 C ATOM 756 O THR A 472 1.526 3.786 7.650 1.00 0.00 O ATOM 757 CB THR A 472 2.135 4.189 10.447 1.00 0.00 C ATOM 758 OG1 THR A 472 2.937 3.055 10.730 1.00 0.00 O ATOM 759 CG2 THR A 472 2.030 5.016 11.730 1.00 0.00 C ATOM 0 H THR A 472 0.577 1.890 10.858 1.00 0.00 H new ATOM 0 HA THR A 472 0.073 4.587 9.834 1.00 0.00 H new ATOM 0 HB THR A 472 2.580 4.804 9.665 1.00 0.00 H new ATOM 0 HG1 THR A 472 3.812 3.347 11.060 1.00 0.00 H new ATOM 0 HG21 THR A 472 3.028 5.307 12.058 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.436 5.910 11.539 1.00 0.00 H new ATOM 0 HG23 THR A 472 1.551 4.421 12.508 1.00 0.00 H new ATOM 767 N SER A 473 0.416 1.929 8.270 1.00 0.00 N ATOM 768 CA SER A 473 0.575 1.195 7.003 1.00 0.00 C ATOM 769 C SER A 473 -0.664 0.381 6.620 1.00 0.00 C ATOM 770 O SER A 473 -1.264 -0.298 7.461 1.00 0.00 O ATOM 771 CB SER A 473 1.758 0.221 7.086 1.00 0.00 C ATOM 772 OG SER A 473 3.001 0.892 6.987 1.00 0.00 O ATOM 0 H SER A 473 -0.132 1.416 8.961 1.00 0.00 H new ATOM 0 HA SER A 473 0.742 1.959 6.244 1.00 0.00 H new ATOM 0 HB2 SER A 473 1.714 -0.325 8.029 1.00 0.00 H new ATOM 0 HB3 SER A 473 1.678 -0.516 6.287 1.00 0.00 H new ATOM 0 HG SER A 473 3.730 0.240 7.045 1.00 0.00 H new ATOM 778 N ALA A 474 -0.998 0.385 5.326 1.00 0.00 N ATOM 779 CA ALA A 474 -2.074 -0.410 4.728 1.00 0.00 C ATOM 780 C ALA A 474 -1.789 -0.754 3.255 1.00 0.00 C ATOM 781 O ALA A 474 -1.067 -0.036 2.558 1.00 0.00 O ATOM 782 CB ALA A 474 -3.390 0.374 4.844 1.00 0.00 C ATOM 0 H ALA A 474 -0.509 0.963 4.642 1.00 0.00 H new ATOM 0 HA ALA A 474 -2.145 -1.355 5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.200 -0.207 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.610 0.562 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.295 1.324 4.317 1.00 0.00 H new ATOM 788 N PHE A 475 -2.386 -1.843 2.769 1.00 0.00 N ATOM 789 CA PHE A 475 -2.448 -2.188 1.348 1.00 0.00 C ATOM 790 C PHE A 475 -3.700 -1.563 0.719 1.00 0.00 C ATOM 791 O PHE A 475 -4.733 -1.436 1.386 1.00 0.00 O ATOM 792 CB PHE A 475 -2.513 -3.709 1.167 1.00 0.00 C ATOM 793 CG PHE A 475 -1.306 -4.476 1.666 1.00 0.00 C ATOM 794 CD1 PHE A 475 -0.077 -4.357 0.989 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.414 -5.336 2.777 1.00 0.00 C ATOM 796 CE1 PHE A 475 1.039 -5.092 1.425 1.00 0.00 C ATOM 797 CE2 PHE A 475 -0.304 -6.092 3.193 1.00 0.00 C ATOM 798 CZ PHE A 475 0.921 -5.969 2.517 1.00 0.00 C ATOM 0 H PHE A 475 -2.851 -2.526 3.367 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.551 -1.804 0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.398 -4.082 1.683 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.647 -3.926 0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 475 0.008 -3.701 0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -2.350 -5.414 3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 475 1.988 -4.983 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.393 -6.767 4.032 1.00 0.00 H new ATOM 0 HZ PHE A 475 1.774 -6.549 2.837 1.00 0.00 H new ATOM 808 N VAL A 476 -3.633 -1.227 -0.574 1.00 0.00 N ATOM 809 CA VAL A 476 -4.754 -0.660 -1.343 1.00 0.00 C ATOM 810 C VAL A 476 -4.831 -1.309 -2.727 1.00 0.00 C ATOM 811 O VAL A 476 -3.925 -1.170 -3.547 1.00 0.00 O ATOM 812 CB VAL A 476 -4.666 0.880 -1.455 1.00 0.00 C ATOM 813 CG1 VAL A 476 -5.848 1.454 -2.251 1.00 0.00 C ATOM 814 CG2 VAL A 476 -4.689 1.542 -0.070 1.00 0.00 C ATOM 0 H VAL A 476 -2.784 -1.342 -1.128 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.672 -0.883 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 476 -3.726 1.093 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.754 2.538 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -5.847 1.034 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -6.782 1.197 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.626 2.624 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.617 1.284 0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.841 1.188 0.516 1.00 0.00 H new ATOM 824 N SER A 477 -5.920 -2.030 -2.990 1.00 0.00 N ATOM 825 CA SER A 477 -6.263 -2.566 -4.314 1.00 0.00 C ATOM 826 C SER A 477 -6.908 -1.487 -5.188 1.00 0.00 C ATOM 827 O SER A 477 -7.741 -0.718 -4.698 1.00 0.00 O ATOM 828 CB SER A 477 -7.274 -3.708 -4.166 1.00 0.00 C ATOM 829 OG SER A 477 -6.724 -4.777 -3.414 1.00 0.00 O ATOM 0 H SER A 477 -6.607 -2.265 -2.274 1.00 0.00 H new ATOM 0 HA SER A 477 -5.342 -2.919 -4.778 1.00 0.00 H new ATOM 0 HB2 SER A 477 -8.175 -3.340 -3.676 1.00 0.00 H new ATOM 0 HB3 SER A 477 -7.571 -4.066 -5.152 1.00 0.00 H new ATOM 0 HG SER A 477 -7.387 -5.494 -3.331 1.00 0.00 H new ATOM 835 N LEU A 478 -6.599 -1.484 -6.488 1.00 0.00 N ATOM 836 CA LEU A 478 -7.233 -0.632 -7.507 1.00 0.00 C ATOM 837 C LEU A 478 -7.909 -1.489 -8.595 1.00 0.00 C ATOM 838 O LEU A 478 -7.591 -2.669 -8.763 1.00 0.00 O ATOM 839 CB LEU A 478 -6.186 0.316 -8.132 1.00 0.00 C ATOM 840 CG LEU A 478 -5.476 1.286 -7.165 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.559 2.209 -7.964 1.00 0.00 C ATOM 842 CD2 LEU A 478 -6.441 2.179 -6.390 1.00 0.00 C ATOM 0 H LEU A 478 -5.878 -2.093 -6.876 1.00 0.00 H new ATOM 0 HA LEU A 478 -8.005 -0.032 -7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.427 -0.291 -8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.677 0.904 -8.907 1.00 0.00 H new ATOM 0 HG LEU A 478 -4.931 0.665 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.054 2.897 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.817 1.613 -8.495 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -5.150 2.777 -8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -5.877 2.837 -5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -7.022 2.780 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -7.114 1.559 -5.798 1.00 0.00 H new ATOM 854 N SER A 479 -8.841 -0.894 -9.349 1.00 0.00 N ATOM 855 CA SER A 479 -9.652 -1.592 -10.364 1.00 0.00 C ATOM 856 C SER A 479 -8.852 -2.218 -11.519 1.00 0.00 C ATOM 857 O SER A 479 -9.299 -3.214 -12.094 1.00 0.00 O ATOM 858 CB SER A 479 -10.693 -0.634 -10.952 1.00 0.00 C ATOM 859 OG SER A 479 -11.582 -0.171 -9.947 1.00 0.00 O ATOM 0 H SER A 479 -9.059 0.100 -9.273 1.00 0.00 H new ATOM 0 HA SER A 479 -10.119 -2.419 -9.830 1.00 0.00 H new ATOM 0 HB2 SER A 479 -10.190 0.214 -11.417 1.00 0.00 H new ATOM 0 HB3 SER A 479 -11.256 -1.140 -11.736 1.00 0.00 H new ATOM 0 HG SER A 479 -12.499 -0.182 -10.292 1.00 0.00 H new ATOM 865 N GLN A 480 -7.675 -1.675 -11.860 1.00 0.00 N ATOM 866 CA GLN A 480 -6.762 -2.206 -12.887 1.00 0.00 C ATOM 867 C GLN A 480 -5.281 -2.001 -12.492 1.00 0.00 C ATOM 868 O GLN A 480 -4.960 -1.007 -11.829 1.00 0.00 O ATOM 869 CB GLN A 480 -7.000 -1.517 -14.252 1.00 0.00 C ATOM 870 CG GLN A 480 -8.389 -1.715 -14.884 1.00 0.00 C ATOM 871 CD GLN A 480 -9.472 -0.749 -14.397 1.00 0.00 C ATOM 872 OE1 GLN A 480 -9.220 0.333 -13.878 1.00 0.00 O ATOM 873 NE2 GLN A 480 -10.733 -1.094 -14.553 1.00 0.00 N ATOM 0 H GLN A 480 -7.319 -0.828 -11.416 1.00 0.00 H new ATOM 0 HA GLN A 480 -6.971 -3.273 -12.967 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -6.829 -0.447 -14.129 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -6.250 -1.881 -14.954 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -8.296 -1.615 -15.965 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -8.719 -2.735 -14.685 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -10.967 -1.989 -14.982 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -11.475 -0.466 -14.245 1.00 0.00 H new ATOM 882 N PRO A 481 -4.349 -2.856 -12.966 1.00 0.00 N ATOM 883 CA PRO A 481 -2.901 -2.674 -12.784 1.00 0.00 C ATOM 884 C PRO A 481 -2.317 -1.477 -13.558 1.00 0.00 C ATOM 885 O PRO A 481 -1.192 -1.047 -13.299 1.00 0.00 O ATOM 886 CB PRO A 481 -2.277 -3.996 -13.234 1.00 0.00 C ATOM 887 CG PRO A 481 -3.256 -4.521 -14.280 1.00 0.00 C ATOM 888 CD PRO A 481 -4.606 -4.079 -13.721 1.00 0.00 C ATOM 0 HA PRO A 481 -2.678 -2.436 -11.744 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -1.283 -3.847 -13.655 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -2.169 -4.692 -12.402 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -3.065 -4.094 -15.265 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -3.195 -5.604 -14.385 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -5.321 -3.899 -14.524 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -5.034 -4.850 -13.081 1.00 0.00 H new ATOM 896 N GLU A 482 -3.071 -0.896 -14.494 1.00 0.00 N ATOM 897 CA GLU A 482 -2.727 0.380 -15.136 1.00 0.00 C ATOM 898 C GLU A 482 -2.778 1.553 -14.136 1.00 0.00 C ATOM 899 O GLU A 482 -1.913 2.429 -14.157 1.00 0.00 O ATOM 900 CB GLU A 482 -3.685 0.607 -16.318 1.00 0.00 C ATOM 901 CG GLU A 482 -3.316 1.837 -17.156 1.00 0.00 C ATOM 902 CD GLU A 482 -4.231 1.955 -18.390 1.00 0.00 C ATOM 903 OE1 GLU A 482 -5.380 2.444 -18.252 1.00 0.00 O ATOM 904 OE2 GLU A 482 -3.812 1.562 -19.508 1.00 0.00 O ATOM 0 H GLU A 482 -3.945 -1.299 -14.832 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.701 0.334 -15.501 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -3.682 -0.276 -16.957 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -4.701 0.723 -15.939 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -3.402 2.737 -16.547 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -2.276 1.767 -17.475 1.00 0.00 H new ATOM 911 N GLN A 483 -3.758 1.558 -13.223 1.00 0.00 N ATOM 912 CA GLN A 483 -3.960 2.644 -12.249 1.00 0.00 C ATOM 913 C GLN A 483 -2.922 2.625 -11.110 1.00 0.00 C ATOM 914 O GLN A 483 -2.592 3.670 -10.547 1.00 0.00 O ATOM 915 CB GLN A 483 -5.390 2.589 -11.681 1.00 0.00 C ATOM 916 CG GLN A 483 -6.512 2.548 -12.737 1.00 0.00 C ATOM 917 CD GLN A 483 -6.529 3.732 -13.704 1.00 0.00 C ATOM 918 OE1 GLN A 483 -6.910 4.843 -13.368 1.00 0.00 O ATOM 919 NE2 GLN A 483 -6.149 3.543 -14.951 1.00 0.00 N ATOM 0 H GLN A 483 -4.439 0.804 -13.137 1.00 0.00 H new ATOM 0 HA GLN A 483 -3.819 3.584 -12.783 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.478 1.708 -11.045 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.545 3.459 -11.043 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -6.415 1.628 -13.314 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -7.473 2.503 -12.224 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -5.827 2.623 -15.252 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -6.176 4.317 -15.615 1.00 0.00 H new ATOM 928 N VAL A 484 -2.347 1.452 -10.817 1.00 0.00 N ATOM 929 CA VAL A 484 -1.216 1.261 -9.884 1.00 0.00 C ATOM 930 C VAL A 484 -0.025 2.148 -10.268 1.00 0.00 C ATOM 931 O VAL A 484 0.552 2.827 -9.419 1.00 0.00 O ATOM 932 CB VAL A 484 -0.832 -0.236 -9.867 1.00 0.00 C ATOM 933 CG1 VAL A 484 0.483 -0.584 -9.164 1.00 0.00 C ATOM 934 CG2 VAL A 484 -1.942 -1.051 -9.195 1.00 0.00 C ATOM 0 H VAL A 484 -2.663 0.576 -11.234 1.00 0.00 H new ATOM 0 HA VAL A 484 -1.516 1.562 -8.880 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.697 -0.485 -10.920 1.00 0.00 H new ATOM 0 HG11 VAL A 484 0.649 -1.660 -9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.307 -0.066 -9.656 1.00 0.00 H new ATOM 0 HG13 VAL A 484 0.431 -0.274 -8.120 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.665 -2.105 -9.186 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -2.079 -0.704 -8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.872 -0.925 -9.749 1.00 0.00 H new ATOM 944 N GLN A 485 0.301 2.205 -11.562 1.00 0.00 N ATOM 945 CA GLN A 485 1.394 3.025 -12.098 1.00 0.00 C ATOM 946 C GLN A 485 1.125 4.531 -11.925 1.00 0.00 C ATOM 947 O GLN A 485 2.044 5.294 -11.624 1.00 0.00 O ATOM 948 CB GLN A 485 1.606 2.677 -13.582 1.00 0.00 C ATOM 949 CG GLN A 485 2.006 1.206 -13.796 1.00 0.00 C ATOM 950 CD GLN A 485 1.991 0.812 -15.272 1.00 0.00 C ATOM 951 OE1 GLN A 485 2.674 1.387 -16.112 1.00 0.00 O ATOM 952 NE2 GLN A 485 1.214 -0.184 -15.649 1.00 0.00 N ATOM 0 H GLN A 485 -0.194 1.675 -12.279 1.00 0.00 H new ATOM 0 HA GLN A 485 2.300 2.801 -11.534 1.00 0.00 H new ATOM 0 HB2 GLN A 485 0.689 2.884 -14.134 1.00 0.00 H new ATOM 0 HB3 GLN A 485 2.380 3.324 -13.996 1.00 0.00 H new ATOM 0 HG2 GLN A 485 3.003 1.039 -13.387 1.00 0.00 H new ATOM 0 HG3 GLN A 485 1.323 0.561 -13.243 1.00 0.00 H new ATOM 0 HE21 GLN A 485 0.640 -0.672 -14.961 1.00 0.00 H new ATOM 0 HE22 GLN A 485 1.187 -0.467 -16.629 1.00 0.00 H new ATOM 961 N ILE A 486 -0.138 4.959 -12.058 1.00 0.00 N ATOM 962 CA ILE A 486 -0.567 6.354 -11.861 1.00 0.00 C ATOM 963 C ILE A 486 -0.360 6.779 -10.399 1.00 0.00 C ATOM 964 O ILE A 486 0.245 7.818 -10.148 1.00 0.00 O ATOM 965 CB ILE A 486 -2.039 6.562 -12.302 1.00 0.00 C ATOM 966 CG1 ILE A 486 -2.276 6.089 -13.757 1.00 0.00 C ATOM 967 CG2 ILE A 486 -2.440 8.044 -12.154 1.00 0.00 C ATOM 968 CD1 ILE A 486 -3.748 6.106 -14.193 1.00 0.00 C ATOM 0 H ILE A 486 -0.905 4.336 -12.310 1.00 0.00 H new ATOM 0 HA ILE A 486 0.053 6.990 -12.493 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.665 5.954 -11.649 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -1.702 6.724 -14.432 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -1.888 5.076 -13.865 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -3.476 8.174 -12.467 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -2.336 8.347 -11.112 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -1.792 8.660 -12.778 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -3.826 5.761 -15.224 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -4.327 5.448 -13.545 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -4.137 7.121 -14.120 1.00 0.00 H new ATOM 980 N ALA A 487 -0.793 5.968 -9.429 1.00 0.00 N ATOM 981 CA ALA A 487 -0.631 6.271 -8.003 1.00 0.00 C ATOM 982 C ALA A 487 0.844 6.322 -7.547 1.00 0.00 C ATOM 983 O ALA A 487 1.215 7.144 -6.705 1.00 0.00 O ATOM 984 CB ALA A 487 -1.405 5.218 -7.211 1.00 0.00 C ATOM 0 H ALA A 487 -1.266 5.083 -9.610 1.00 0.00 H new ATOM 0 HA ALA A 487 -1.023 7.271 -7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -1.303 5.417 -6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -2.458 5.256 -7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -1.006 4.229 -7.435 1.00 0.00 H new ATOM 990 N VAL A 488 1.713 5.480 -8.120 1.00 0.00 N ATOM 991 CA VAL A 488 3.171 5.572 -7.910 1.00 0.00 C ATOM 992 C VAL A 488 3.736 6.872 -8.508 1.00 0.00 C ATOM 993 O VAL A 488 4.541 7.542 -7.858 1.00 0.00 O ATOM 994 CB VAL A 488 3.883 4.320 -8.463 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.413 4.436 -8.436 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.510 3.091 -7.622 1.00 0.00 C ATOM 0 H VAL A 488 1.432 4.719 -8.739 1.00 0.00 H new ATOM 0 HA VAL A 488 3.363 5.607 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 488 3.555 4.223 -9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 488 5.854 3.524 -8.838 1.00 0.00 H new ATOM 0 HG12 VAL A 488 5.724 5.287 -9.042 1.00 0.00 H new ATOM 0 HG13 VAL A 488 5.749 4.580 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 488 4.017 2.211 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 488 3.816 3.251 -6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.432 2.937 -7.661 1.00 0.00 H new ATOM 1006 N ASN A 489 3.279 7.282 -9.699 1.00 0.00 N ATOM 1007 CA ASN A 489 3.684 8.544 -10.333 1.00 0.00 C ATOM 1008 C ASN A 489 3.281 9.785 -9.514 1.00 0.00 C ATOM 1009 O ASN A 489 4.074 10.716 -9.369 1.00 0.00 O ATOM 1010 CB ASN A 489 3.079 8.622 -11.747 1.00 0.00 C ATOM 1011 CG ASN A 489 3.649 9.780 -12.551 1.00 0.00 C ATOM 1012 OD1 ASN A 489 4.852 9.912 -12.735 1.00 0.00 O ATOM 1013 ND2 ASN A 489 2.812 10.661 -13.056 1.00 0.00 N ATOM 0 H ASN A 489 2.613 6.744 -10.253 1.00 0.00 H new ATOM 0 HA ASN A 489 4.773 8.547 -10.386 1.00 0.00 H new ATOM 0 HB2 ASN A 489 3.269 7.687 -12.274 1.00 0.00 H new ATOM 0 HB3 ASN A 489 1.997 8.731 -11.672 1.00 0.00 H new ATOM 0 HD21 ASN A 489 3.167 11.449 -13.598 1.00 0.00 H new ATOM 0 HD22 ASN A 489 1.809 10.556 -12.906 1.00 0.00 H new ATOM 1020 N THR A 490 2.065 9.811 -8.963 1.00 0.00 N ATOM 1021 CA THR A 490 1.541 10.951 -8.189 1.00 0.00 C ATOM 1022 C THR A 490 2.184 11.081 -6.802 1.00 0.00 C ATOM 1023 O THR A 490 2.409 12.200 -6.332 1.00 0.00 O ATOM 1024 CB THR A 490 0.009 10.876 -8.069 1.00 0.00 C ATOM 1025 OG1 THR A 490 -0.410 9.644 -7.536 1.00 0.00 O ATOM 1026 CG2 THR A 490 -0.654 11.059 -9.438 1.00 0.00 C ATOM 0 H THR A 490 1.406 9.036 -9.039 1.00 0.00 H new ATOM 0 HA THR A 490 1.810 11.849 -8.745 1.00 0.00 H new ATOM 0 HB THR A 490 -0.292 11.679 -7.397 1.00 0.00 H new ATOM 0 HG1 THR A 490 0.374 9.113 -7.284 1.00 0.00 H new ATOM 0 HG21 THR A 490 -1.737 11.002 -9.328 1.00 0.00 H new ATOM 0 HG22 THR A 490 -0.381 12.032 -9.847 1.00 0.00 H new ATOM 0 HG23 THR A 490 -0.316 10.273 -10.114 1.00 0.00 H new ATOM 1034 N SER A 491 2.581 9.965 -6.180 1.00 0.00 N ATOM 1035 CA SER A 491 3.325 9.940 -4.907 1.00 0.00 C ATOM 1036 C SER A 491 4.736 10.554 -4.981 1.00 0.00 C ATOM 1037 O SER A 491 5.304 10.901 -3.942 1.00 0.00 O ATOM 1038 CB SER A 491 3.415 8.500 -4.399 1.00 0.00 C ATOM 1039 OG SER A 491 3.873 8.446 -3.056 1.00 0.00 O ATOM 0 H SER A 491 2.392 9.034 -6.551 1.00 0.00 H new ATOM 0 HA SER A 491 2.763 10.568 -4.215 1.00 0.00 H new ATOM 0 HB2 SER A 491 2.435 8.027 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 491 4.090 7.930 -5.037 1.00 0.00 H new ATOM 0 HG SER A 491 4.514 9.171 -2.900 1.00 0.00 H new ATOM 1045 N LYS A 492 5.302 10.742 -6.185 1.00 0.00 N ATOM 1046 CA LYS A 492 6.615 11.380 -6.424 1.00 0.00 C ATOM 1047 C LYS A 492 6.746 12.790 -5.818 1.00 0.00 C ATOM 1048 O LYS A 492 7.861 13.240 -5.543 1.00 0.00 O ATOM 1049 CB LYS A 492 6.868 11.392 -7.946 1.00 0.00 C ATOM 1050 CG LYS A 492 8.245 11.892 -8.413 1.00 0.00 C ATOM 1051 CD LYS A 492 9.415 11.053 -7.882 1.00 0.00 C ATOM 1052 CE LYS A 492 10.730 11.558 -8.487 1.00 0.00 C ATOM 1053 NZ LYS A 492 11.892 10.764 -8.011 1.00 0.00 N ATOM 0 H LYS A 492 4.847 10.446 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 492 7.376 10.794 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 492 6.728 10.379 -8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 492 6.104 12.013 -8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 492 8.273 11.890 -9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 492 8.375 12.926 -8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 492 9.456 11.116 -6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 492 9.267 10.003 -8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 492 10.674 11.506 -9.574 1.00 0.00 H new ATOM 0 HE3 LYS A 492 10.873 12.606 -8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 12.764 11.133 -8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 11.959 10.834 -6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 11.767 9.768 -8.283 1.00 0.00 H new ATOM 1067 N TYR A 493 5.618 13.460 -5.563 1.00 0.00 N ATOM 1068 CA TYR A 493 5.532 14.844 -5.078 1.00 0.00 C ATOM 1069 C TYR A 493 4.707 14.978 -3.778 1.00 0.00 C ATOM 1070 O TYR A 493 4.284 16.082 -3.417 1.00 0.00 O ATOM 1071 CB TYR A 493 4.990 15.724 -6.218 1.00 0.00 C ATOM 1072 CG TYR A 493 5.752 15.581 -7.527 1.00 0.00 C ATOM 1073 CD1 TYR A 493 7.034 16.151 -7.659 1.00 0.00 C ATOM 1074 CD2 TYR A 493 5.199 14.843 -8.592 1.00 0.00 C ATOM 1075 CE1 TYR A 493 7.763 15.981 -8.853 1.00 0.00 C ATOM 1076 CE2 TYR A 493 5.926 14.671 -9.788 1.00 0.00 C ATOM 1077 CZ TYR A 493 7.212 15.240 -9.920 1.00 0.00 C ATOM 1078 OH TYR A 493 7.926 15.076 -11.068 1.00 0.00 O ATOM 0 H TYR A 493 4.700 13.036 -5.694 1.00 0.00 H new ATOM 0 HA TYR A 493 6.529 15.186 -4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 493 3.943 15.474 -6.390 1.00 0.00 H new ATOM 0 HB3 TYR A 493 5.021 16.767 -5.904 1.00 0.00 H new ATOM 0 HD1 TYR A 493 7.458 16.719 -6.844 1.00 0.00 H new ATOM 0 HD2 TYR A 493 4.216 14.408 -8.492 1.00 0.00 H new ATOM 0 HE1 TYR A 493 8.745 16.419 -8.952 1.00 0.00 H new ATOM 0 HE2 TYR A 493 5.500 14.104 -10.603 1.00 0.00 H new ATOM 0 HH TYR A 493 7.406 14.540 -11.703 1.00 0.00 H new ATOM 1088 N ALA A 494 4.462 13.869 -3.068 1.00 0.00 N ATOM 1089 CA ALA A 494 3.782 13.853 -1.771 1.00 0.00 C ATOM 1090 C ALA A 494 4.557 14.613 -0.670 1.00 0.00 C ATOM 1091 O ALA A 494 5.777 14.791 -0.740 1.00 0.00 O ATOM 1092 CB ALA A 494 3.557 12.394 -1.354 1.00 0.00 C ATOM 0 H ALA A 494 4.737 12.940 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 494 2.831 14.374 -1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 494 3.051 12.365 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 494 2.942 11.893 -2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 494 4.518 11.886 -1.275 1.00 0.00 H new ATOM 1098 N GLU A 495 3.839 15.006 0.386 1.00 0.00 N ATOM 1099 CA GLU A 495 4.377 15.733 1.554 1.00 0.00 C ATOM 1100 C GLU A 495 3.857 15.182 2.905 1.00 0.00 C ATOM 1101 O GLU A 495 4.367 15.542 3.970 1.00 0.00 O ATOM 1102 CB GLU A 495 4.052 17.229 1.366 1.00 0.00 C ATOM 1103 CG GLU A 495 4.837 18.168 2.291 1.00 0.00 C ATOM 1104 CD GLU A 495 4.622 19.641 1.895 1.00 0.00 C ATOM 1105 OE1 GLU A 495 3.615 20.255 2.330 1.00 0.00 O ATOM 1106 OE2 GLU A 495 5.463 20.207 1.151 1.00 0.00 O ATOM 0 H GLU A 495 2.838 14.825 0.460 1.00 0.00 H new ATOM 0 HA GLU A 495 5.456 15.588 1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 495 4.254 17.505 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 495 2.986 17.381 1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 495 4.521 18.015 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 495 5.899 17.926 2.244 1.00 0.00 H new ATOM 1113 N SER A 496 2.874 14.272 2.876 1.00 0.00 N ATOM 1114 CA SER A 496 2.146 13.759 4.053 1.00 0.00 C ATOM 1115 C SER A 496 1.838 12.250 4.004 1.00 0.00 C ATOM 1116 O SER A 496 1.212 11.714 4.922 1.00 0.00 O ATOM 1117 CB SER A 496 0.849 14.562 4.209 1.00 0.00 C ATOM 1118 OG SER A 496 0.049 14.474 3.037 1.00 0.00 O ATOM 0 H SER A 496 2.550 13.856 2.003 1.00 0.00 H new ATOM 0 HA SER A 496 2.801 13.887 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 496 0.287 14.189 5.065 1.00 0.00 H new ATOM 0 HB3 SER A 496 1.086 15.606 4.414 1.00 0.00 H new ATOM 0 HG SER A 496 -0.773 14.993 3.162 1.00 0.00 H new ATOM 1124 N TYR A 497 2.289 11.554 2.956 1.00 0.00 N ATOM 1125 CA TYR A 497 2.103 10.116 2.718 1.00 0.00 C ATOM 1126 C TYR A 497 3.187 9.574 1.761 1.00 0.00 C ATOM 1127 O TYR A 497 3.993 10.341 1.224 1.00 0.00 O ATOM 1128 CB TYR A 497 0.694 9.874 2.134 1.00 0.00 C ATOM 1129 CG TYR A 497 0.491 10.432 0.734 1.00 0.00 C ATOM 1130 CD1 TYR A 497 0.070 11.764 0.549 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.767 9.625 -0.388 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.051 12.297 -0.750 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.666 10.156 -1.687 1.00 0.00 C ATOM 1134 CZ TYR A 497 0.254 11.494 -1.873 1.00 0.00 C ATOM 1135 OH TYR A 497 0.159 12.002 -3.132 1.00 0.00 O ATOM 0 H TYR A 497 2.822 12.001 2.210 1.00 0.00 H new ATOM 0 HA TYR A 497 2.198 9.583 3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.500 8.801 2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -0.044 10.320 2.801 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -0.161 12.379 1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 497 1.057 8.594 -0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.376 13.318 -0.887 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.904 9.540 -2.542 1.00 0.00 H new ATOM 0 HH TYR A 497 0.407 11.312 -3.783 1.00 0.00 H new ATOM 1145 N ARG A 498 3.190 8.257 1.517 1.00 0.00 N ATOM 1146 CA ARG A 498 3.993 7.583 0.475 1.00 0.00 C ATOM 1147 C ARG A 498 3.252 6.359 -0.078 1.00 0.00 C ATOM 1148 O ARG A 498 2.542 5.691 0.673 1.00 0.00 O ATOM 1149 CB ARG A 498 5.359 7.200 1.077 1.00 0.00 C ATOM 1150 CG ARG A 498 6.359 6.682 0.028 1.00 0.00 C ATOM 1151 CD ARG A 498 7.750 6.414 0.628 1.00 0.00 C ATOM 1152 NE ARG A 498 8.405 7.646 1.120 1.00 0.00 N ATOM 1153 CZ ARG A 498 9.061 8.549 0.412 1.00 0.00 C ATOM 1154 NH1 ARG A 498 9.215 8.451 -0.879 1.00 0.00 N ATOM 1155 NH2 ARG A 498 9.584 9.588 0.998 1.00 0.00 N ATOM 0 H ARG A 498 2.617 7.606 2.054 1.00 0.00 H new ATOM 0 HA ARG A 498 4.153 8.258 -0.366 1.00 0.00 H new ATOM 0 HB2 ARG A 498 5.785 8.069 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 498 5.212 6.434 1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 498 5.974 5.763 -0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 498 6.448 7.411 -0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 498 7.656 5.704 1.450 1.00 0.00 H new ATOM 0 HD3 ARG A 498 8.383 5.947 -0.126 1.00 0.00 H new ATOM 0 HE ARG A 498 8.343 7.819 2.123 1.00 0.00 H new ATOM 0 HH11 ARG A 498 8.822 7.655 -1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 498 9.729 9.171 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 498 9.488 9.707 2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 498 10.090 10.283 0.448 1.00 0.00 H new ATOM 1169 N ILE A 499 3.442 6.051 -1.363 1.00 0.00 N ATOM 1170 CA ILE A 499 2.843 4.911 -2.085 1.00 0.00 C ATOM 1171 C ILE A 499 3.943 4.134 -2.832 1.00 0.00 C ATOM 1172 O ILE A 499 4.856 4.731 -3.409 1.00 0.00 O ATOM 1173 CB ILE A 499 1.755 5.399 -3.081 1.00 0.00 C ATOM 1174 CG1 ILE A 499 0.634 6.199 -2.377 1.00 0.00 C ATOM 1175 CG2 ILE A 499 1.147 4.223 -3.864 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -0.349 6.897 -3.326 1.00 0.00 C ATOM 0 H ILE A 499 4.046 6.613 -1.963 1.00 0.00 H new ATOM 0 HA ILE A 499 2.366 4.250 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 499 2.255 6.068 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 499 0.075 5.523 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 499 1.092 6.950 -1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 499 0.389 4.597 -4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 499 1.931 3.717 -4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 499 0.689 3.520 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -1.099 7.432 -2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 499 0.193 7.602 -3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.840 6.153 -3.953 1.00 0.00 H new ATOM 1188 N GLN A 500 3.830 2.803 -2.862 1.00 0.00 N ATOM 1189 CA GLN A 500 4.650 1.888 -3.671 1.00 0.00 C ATOM 1190 C GLN A 500 3.823 0.667 -4.124 1.00 0.00 C ATOM 1191 O GLN A 500 2.761 0.403 -3.554 1.00 0.00 O ATOM 1192 CB GLN A 500 5.904 1.483 -2.871 1.00 0.00 C ATOM 1193 CG GLN A 500 5.627 0.606 -1.636 1.00 0.00 C ATOM 1194 CD GLN A 500 6.886 0.316 -0.819 1.00 0.00 C ATOM 1195 OE1 GLN A 500 8.004 0.234 -1.317 1.00 0.00 O ATOM 1196 NE2 GLN A 500 6.767 0.151 0.479 1.00 0.00 N ATOM 0 H GLN A 500 3.136 2.310 -2.300 1.00 0.00 H new ATOM 0 HA GLN A 500 4.978 2.394 -4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 500 6.584 0.948 -3.534 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.420 2.387 -2.549 1.00 0.00 H new ATOM 0 HG2 GLN A 500 4.894 1.103 -1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 500 5.183 -0.336 -1.958 1.00 0.00 H new ATOM 0 HE21 GLN A 500 5.849 0.214 0.919 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.593 -0.040 1.047 1.00 0.00 H new ATOM 1205 N THR A 501 4.266 -0.097 -5.127 1.00 0.00 N ATOM 1206 CA THR A 501 3.590 -1.357 -5.518 1.00 0.00 C ATOM 1207 C THR A 501 3.787 -2.467 -4.478 1.00 0.00 C ATOM 1208 O THR A 501 4.688 -2.392 -3.637 1.00 0.00 O ATOM 1209 CB THR A 501 4.035 -1.873 -6.897 1.00 0.00 C ATOM 1210 OG1 THR A 501 5.333 -2.418 -6.837 1.00 0.00 O ATOM 1211 CG2 THR A 501 4.018 -0.794 -7.978 1.00 0.00 C ATOM 0 H THR A 501 5.088 0.127 -5.688 1.00 0.00 H new ATOM 0 HA THR A 501 2.531 -1.104 -5.573 1.00 0.00 H new ATOM 0 HB THR A 501 3.309 -2.639 -7.168 1.00 0.00 H new ATOM 0 HG1 THR A 501 5.594 -2.741 -7.725 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.342 -1.223 -8.926 1.00 0.00 H new ATOM 0 HG22 THR A 501 3.007 -0.402 -8.085 1.00 0.00 H new ATOM 0 HG23 THR A 501 4.693 0.014 -7.696 1.00 0.00 H new ATOM 1219 N TYR A 502 2.993 -3.543 -4.545 1.00 0.00 N ATOM 1220 CA TYR A 502 3.251 -4.743 -3.735 1.00 0.00 C ATOM 1221 C TYR A 502 4.647 -5.342 -4.017 1.00 0.00 C ATOM 1222 O TYR A 502 5.355 -5.740 -3.091 1.00 0.00 O ATOM 1223 CB TYR A 502 2.143 -5.785 -3.947 1.00 0.00 C ATOM 1224 CG TYR A 502 2.178 -6.891 -2.905 1.00 0.00 C ATOM 1225 CD1 TYR A 502 3.026 -8.007 -3.073 1.00 0.00 C ATOM 1226 CD2 TYR A 502 1.402 -6.774 -1.736 1.00 0.00 C ATOM 1227 CE1 TYR A 502 3.119 -8.984 -2.061 1.00 0.00 C ATOM 1228 CE2 TYR A 502 1.480 -7.758 -0.732 1.00 0.00 C ATOM 1229 CZ TYR A 502 2.349 -8.859 -0.884 1.00 0.00 C ATOM 1230 OH TYR A 502 2.439 -9.803 0.093 1.00 0.00 O ATOM 0 H TYR A 502 2.172 -3.609 -5.147 1.00 0.00 H new ATOM 0 HA TYR A 502 3.243 -4.442 -2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 502 1.172 -5.290 -3.915 1.00 0.00 H new ATOM 0 HB3 TYR A 502 2.245 -6.222 -4.940 1.00 0.00 H new ATOM 0 HD1 TYR A 502 3.605 -8.113 -3.979 1.00 0.00 H new ATOM 0 HD2 TYR A 502 0.745 -5.927 -1.609 1.00 0.00 H new ATOM 0 HE1 TYR A 502 3.780 -9.829 -2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 502 0.873 -7.670 0.157 1.00 0.00 H new ATOM 0 HH TYR A 502 1.844 -9.564 0.834 1.00 0.00 H new ATOM 1240 N ALA A 503 5.083 -5.354 -5.283 1.00 0.00 N ATOM 1241 CA ALA A 503 6.406 -5.839 -5.685 1.00 0.00 C ATOM 1242 C ALA A 503 7.564 -4.986 -5.121 1.00 0.00 C ATOM 1243 O ALA A 503 8.614 -5.525 -4.769 1.00 0.00 O ATOM 1244 CB ALA A 503 6.457 -5.909 -7.215 1.00 0.00 C ATOM 0 H ALA A 503 4.519 -5.023 -6.065 1.00 0.00 H new ATOM 0 HA ALA A 503 6.548 -6.832 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 503 7.436 -6.269 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 503 5.687 -6.592 -7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 503 6.284 -4.916 -7.631 1.00 0.00 H new ATOM 1250 N GLU A 504 7.378 -3.667 -4.984 1.00 0.00 N ATOM 1251 CA GLU A 504 8.321 -2.786 -4.278 1.00 0.00 C ATOM 1252 C GLU A 504 8.287 -3.002 -2.754 1.00 0.00 C ATOM 1253 O GLU A 504 9.343 -3.031 -2.117 1.00 0.00 O ATOM 1254 CB GLU A 504 8.001 -1.317 -4.591 1.00 0.00 C ATOM 1255 CG GLU A 504 8.358 -0.913 -6.027 1.00 0.00 C ATOM 1256 CD GLU A 504 8.002 0.562 -6.286 1.00 0.00 C ATOM 1257 OE1 GLU A 504 6.800 0.919 -6.241 1.00 0.00 O ATOM 1258 OE2 GLU A 504 8.930 1.374 -6.535 1.00 0.00 O ATOM 0 H GLU A 504 6.566 -3.178 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 504 9.322 -3.036 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 504 6.938 -1.140 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 504 8.544 -0.677 -3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 504 9.423 -1.070 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 504 7.823 -1.550 -6.732 1.00 0.00 H new ATOM 1265 N TYR A 505 7.097 -3.185 -2.169 1.00 0.00 N ATOM 1266 CA TYR A 505 6.894 -3.447 -0.737 1.00 0.00 C ATOM 1267 C TYR A 505 7.573 -4.735 -0.246 1.00 0.00 C ATOM 1268 O TYR A 505 8.105 -4.755 0.865 1.00 0.00 O ATOM 1269 CB TYR A 505 5.389 -3.493 -0.445 1.00 0.00 C ATOM 1270 CG TYR A 505 5.027 -4.134 0.882 1.00 0.00 C ATOM 1271 CD1 TYR A 505 5.108 -3.393 2.077 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.676 -5.499 0.922 1.00 0.00 C ATOM 1273 CE1 TYR A 505 4.823 -4.008 3.311 1.00 0.00 C ATOM 1274 CE2 TYR A 505 4.406 -6.120 2.155 1.00 0.00 C ATOM 1275 CZ TYR A 505 4.473 -5.375 3.353 1.00 0.00 C ATOM 1276 OH TYR A 505 4.206 -5.981 4.542 1.00 0.00 O ATOM 0 H TYR A 505 6.223 -3.154 -2.693 1.00 0.00 H new ATOM 0 HA TYR A 505 7.368 -2.633 -0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 505 4.997 -2.476 -0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.892 -4.040 -1.246 1.00 0.00 H new ATOM 0 HD1 TYR A 505 5.389 -2.351 2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.614 -6.068 0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 505 4.872 -3.434 4.225 1.00 0.00 H new ATOM 0 HE2 TYR A 505 4.147 -7.168 2.186 1.00 0.00 H new ATOM 0 HH TYR A 505 3.982 -6.922 4.386 1.00 0.00 H new