USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=19 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 489 ASN : amide:sc= 0.602 K(o=1.3,f=-1.8) USER MOD Set 1.2: A 492 LYS NZ :NH3+ 163:sc= 0.683 (180deg=0) USER MOD Set 2.1: A 442 HIS : no HD1:sc= 0.72 K(o=1.6,f=-0.75) USER MOD Set 2.2: A 500 GLN : amide:sc= 0.864 K(o=1.6,f=-0.42) USER MOD Single : A 439 HIS : no HD1:sc= 0.371 K(o=0.37,f=-2.1!) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0 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= 0.0362 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 X(o=0,f=0) USER MOD Single : A 459 SER OG : rot 47:sc= 1 USER MOD Single : A 463 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 465 GLN : amide:sc= -0.047 K(o=-0.047,f=-3.9!) 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 473 SER OG : rot 180:sc= 0 USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 483 GLN : amide:sc= 0.2 K(o=0.2,f=-3.7!) USER MOD Single : A 485 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 490 THR OG1 : rot 6:sc= -0.0141 USER MOD Single : A 491 SER OG : rot -62:sc= 0.511 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= 0.577 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 -1.693 -10.013 -6.922 1.00 0.00 N ATOM 174 CA ARG A 437 -1.453 -8.740 -6.198 1.00 0.00 C ATOM 175 C ARG A 437 -0.895 -7.625 -7.104 1.00 0.00 C ATOM 176 O ARG A 437 -0.504 -6.566 -6.618 1.00 0.00 O ATOM 177 CB ARG A 437 -0.524 -8.988 -4.986 1.00 0.00 C ATOM 178 CG ARG A 437 -1.008 -10.034 -3.965 1.00 0.00 C ATOM 179 CD ARG A 437 -2.259 -9.603 -3.186 1.00 0.00 C ATOM 180 NE ARG A 437 -2.776 -10.715 -2.365 1.00 0.00 N ATOM 181 CZ ARG A 437 -3.987 -10.823 -1.847 1.00 0.00 C ATOM 182 NH1 ARG A 437 -4.879 -9.880 -1.907 1.00 0.00 N ATOM 183 NH2 ARG A 437 -4.367 -11.905 -1.238 1.00 0.00 N ATOM 0 HA ARG A 437 -2.421 -8.384 -5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 437 0.452 -9.299 -5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 437 -0.379 -8.041 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -1.219 -10.967 -4.487 1.00 0.00 H new ATOM 0 HG3 ARG A 437 -0.203 -10.239 -3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 437 -2.019 -8.754 -2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -3.029 -9.270 -3.882 1.00 0.00 H new ATOM 0 HE ARG A 437 -2.130 -11.482 -2.177 1.00 0.00 H new ATOM 0 HH11 ARG A 437 -4.660 -8.999 -2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 437 -5.799 -10.020 -1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 437 -3.726 -12.694 -1.152 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -5.307 -11.966 -0.846 1.00 0.00 H new ATOM 197 N ASP A 438 -0.858 -7.837 -8.421 1.00 0.00 N ATOM 198 CA ASP A 438 -0.356 -6.865 -9.412 1.00 0.00 C ATOM 199 C ASP A 438 -1.186 -5.563 -9.471 1.00 0.00 C ATOM 200 O ASP A 438 -0.677 -4.505 -9.844 1.00 0.00 O ATOM 201 CB ASP A 438 -0.318 -7.555 -10.783 1.00 0.00 C ATOM 202 CG ASP A 438 0.369 -6.695 -11.857 1.00 0.00 C ATOM 203 OD1 ASP A 438 1.599 -6.469 -11.757 1.00 0.00 O ATOM 204 OD2 ASP A 438 -0.310 -6.279 -12.827 1.00 0.00 O ATOM 0 H ASP A 438 -1.182 -8.707 -8.844 1.00 0.00 H new ATOM 0 HA ASP A 438 0.643 -6.554 -9.107 1.00 0.00 H new ATOM 0 HB2 ASP A 438 0.207 -8.506 -10.693 1.00 0.00 H new ATOM 0 HB3 ASP A 438 -1.336 -7.782 -11.100 1.00 0.00 H new ATOM 209 N HIS A 439 -2.454 -5.631 -9.051 1.00 0.00 N ATOM 210 CA HIS A 439 -3.422 -4.528 -8.942 1.00 0.00 C ATOM 211 C HIS A 439 -3.466 -3.880 -7.539 1.00 0.00 C ATOM 212 O HIS A 439 -4.438 -3.200 -7.203 1.00 0.00 O ATOM 213 CB HIS A 439 -4.801 -5.072 -9.358 1.00 0.00 C ATOM 214 CG HIS A 439 -5.290 -6.220 -8.501 1.00 0.00 C ATOM 215 ND1 HIS A 439 -4.776 -7.523 -8.524 1.00 0.00 N ATOM 216 CD2 HIS A 439 -6.305 -6.161 -7.591 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.504 -8.219 -7.635 1.00 0.00 C ATOM 218 NE2 HIS A 439 -6.423 -7.429 -7.059 1.00 0.00 N ATOM 0 H HIS A 439 -2.862 -6.519 -8.757 1.00 0.00 H new ATOM 0 HA HIS A 439 -3.108 -3.722 -9.606 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.529 -4.262 -9.313 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.753 -5.401 -10.396 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -6.898 -5.295 -7.338 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -5.369 -9.268 -7.415 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -7.095 -7.717 -6.348 1.00 0.00 H new ATOM 226 N VAL A 440 -2.437 -4.098 -6.708 1.00 0.00 N ATOM 227 CA VAL A 440 -2.413 -3.724 -5.280 1.00 0.00 C ATOM 228 C VAL A 440 -1.179 -2.876 -4.944 1.00 0.00 C ATOM 229 O VAL A 440 -0.051 -3.174 -5.347 1.00 0.00 O ATOM 230 CB VAL A 440 -2.482 -4.978 -4.375 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.630 -4.619 -2.889 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.667 -5.887 -4.737 1.00 0.00 C ATOM 0 H VAL A 440 -1.575 -4.550 -7.014 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.297 -3.117 -5.085 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.538 -5.497 -4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.674 -5.533 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.775 -4.022 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.546 -4.047 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -3.676 -6.754 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.599 -5.333 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.568 -6.219 -5.770 1.00 0.00 H new ATOM 242 N LEU A 441 -1.409 -1.815 -4.170 1.00 0.00 N ATOM 243 CA LEU A 441 -0.406 -0.912 -3.603 1.00 0.00 C ATOM 244 C LEU A 441 -0.164 -1.192 -2.115 1.00 0.00 C ATOM 245 O LEU A 441 -0.973 -1.826 -1.436 1.00 0.00 O ATOM 246 CB LEU A 441 -0.917 0.540 -3.714 1.00 0.00 C ATOM 247 CG LEU A 441 -1.071 1.102 -5.131 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.808 2.435 -5.030 1.00 0.00 C ATOM 249 CD2 LEU A 441 0.292 1.339 -5.783 1.00 0.00 C ATOM 0 H LEU A 441 -2.357 -1.547 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 441 0.521 -1.065 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -1.884 0.601 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -0.233 1.186 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 441 -1.622 0.387 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -1.932 2.859 -6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.788 2.276 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -1.232 3.124 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 441 0.150 1.738 -6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 441 0.862 2.052 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 441 0.837 0.397 -5.840 1.00 0.00 H new ATOM 261 N HIS A 442 0.910 -0.607 -1.600 1.00 0.00 N ATOM 262 CA HIS A 442 1.255 -0.474 -0.189 1.00 0.00 C ATOM 263 C HIS A 442 1.425 1.024 0.098 1.00 0.00 C ATOM 264 O HIS A 442 2.025 1.752 -0.698 1.00 0.00 O ATOM 265 CB HIS A 442 2.542 -1.258 0.101 1.00 0.00 C ATOM 266 CG HIS A 442 3.054 -1.038 1.503 1.00 0.00 C ATOM 267 ND1 HIS A 442 3.902 -0.002 1.909 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.699 -1.774 2.593 1.00 0.00 C ATOM 269 CE1 HIS A 442 4.019 -0.130 3.244 1.00 0.00 C ATOM 270 NE2 HIS A 442 3.314 -1.188 3.678 1.00 0.00 N ATOM 0 H HIS A 442 1.615 -0.181 -2.202 1.00 0.00 H new ATOM 0 HA HIS A 442 0.477 -0.882 0.456 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.357 -2.321 -0.051 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.311 -0.963 -0.613 1.00 0.00 H new ATOM 0 HD2 HIS A 442 2.061 -2.645 2.605 1.00 0.00 H new ATOM 0 HE1 HIS A 442 4.598 0.526 3.877 1.00 0.00 H new ATOM 0 HE2 HIS A 442 3.246 -1.504 4.646 1.00 0.00 H new ATOM 278 N VAL A 443 0.869 1.494 1.213 1.00 0.00 N ATOM 279 CA VAL A 443 0.771 2.918 1.566 1.00 0.00 C ATOM 280 C VAL A 443 1.255 3.111 3.001 1.00 0.00 C ATOM 281 O VAL A 443 0.937 2.303 3.877 1.00 0.00 O ATOM 282 CB VAL A 443 -0.680 3.434 1.429 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.750 4.967 1.460 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.359 2.996 0.127 1.00 0.00 C ATOM 0 H VAL A 443 0.461 0.881 1.919 1.00 0.00 H new ATOM 0 HA VAL A 443 1.395 3.490 0.879 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.198 2.997 2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -1.788 5.286 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.347 5.331 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -0.165 5.375 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.374 3.392 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -0.794 3.377 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.393 1.907 0.083 1.00 0.00 H new ATOM 294 N THR A 444 1.991 4.196 3.246 1.00 0.00 N ATOM 295 CA THR A 444 2.570 4.548 4.555 1.00 0.00 C ATOM 296 C THR A 444 2.253 6.007 4.885 1.00 0.00 C ATOM 297 O THR A 444 2.339 6.880 4.017 1.00 0.00 O ATOM 298 CB THR A 444 4.094 4.326 4.568 1.00 0.00 C ATOM 299 OG1 THR A 444 4.441 3.073 4.017 1.00 0.00 O ATOM 300 CG2 THR A 444 4.671 4.329 5.983 1.00 0.00 C ATOM 0 H THR A 444 2.211 4.879 2.521 1.00 0.00 H new ATOM 0 HA THR A 444 2.127 3.898 5.310 1.00 0.00 H new ATOM 0 HB THR A 444 4.501 5.150 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 444 5.415 2.964 4.039 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.748 4.169 5.937 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.467 5.289 6.457 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.210 3.531 6.566 1.00 0.00 H new ATOM 308 N PHE A 445 1.862 6.279 6.130 1.00 0.00 N ATOM 309 CA PHE A 445 1.314 7.570 6.566 1.00 0.00 C ATOM 310 C PHE A 445 1.436 7.777 8.097 1.00 0.00 C ATOM 311 O PHE A 445 1.556 6.798 8.841 1.00 0.00 O ATOM 312 CB PHE A 445 -0.166 7.641 6.126 1.00 0.00 C ATOM 313 CG PHE A 445 -0.959 6.351 6.306 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.294 5.895 7.594 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.303 5.568 5.187 1.00 0.00 C ATOM 316 CE1 PHE A 445 -1.933 4.657 7.764 1.00 0.00 C ATOM 317 CE2 PHE A 445 -1.938 4.324 5.355 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.250 3.867 6.645 1.00 0.00 C ATOM 0 H PHE A 445 1.918 5.594 6.884 1.00 0.00 H new ATOM 0 HA PHE A 445 1.892 8.369 6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -0.659 8.433 6.690 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -0.203 7.928 5.075 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.058 6.501 8.456 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -1.078 5.925 4.193 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.182 4.311 8.756 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.185 3.722 4.493 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.733 2.910 6.778 1.00 0.00 H new ATOM 328 N PRO A 446 1.392 9.030 8.598 1.00 0.00 N ATOM 329 CA PRO A 446 1.269 9.333 10.028 1.00 0.00 C ATOM 330 C PRO A 446 0.068 8.641 10.695 1.00 0.00 C ATOM 331 O PRO A 446 -0.987 8.474 10.078 1.00 0.00 O ATOM 332 CB PRO A 446 1.128 10.859 10.116 1.00 0.00 C ATOM 333 CG PRO A 446 1.806 11.360 8.844 1.00 0.00 C ATOM 334 CD PRO A 446 1.494 10.260 7.831 1.00 0.00 C ATOM 0 HA PRO A 446 2.142 8.959 10.563 1.00 0.00 H new ATOM 0 HB2 PRO A 446 0.082 11.163 10.158 1.00 0.00 H new ATOM 0 HB3 PRO A 446 1.611 11.255 11.009 1.00 0.00 H new ATOM 0 HG2 PRO A 446 1.408 12.324 8.528 1.00 0.00 H new ATOM 0 HG3 PRO A 446 2.880 11.488 8.983 1.00 0.00 H new ATOM 0 HD2 PRO A 446 0.564 10.469 7.302 1.00 0.00 H new ATOM 0 HD3 PRO A 446 2.280 10.187 7.079 1.00 0.00 H new ATOM 342 N LYS A 447 0.196 8.304 11.985 1.00 0.00 N ATOM 343 CA LYS A 447 -0.831 7.597 12.786 1.00 0.00 C ATOM 344 C LYS A 447 -2.179 8.324 12.941 1.00 0.00 C ATOM 345 O LYS A 447 -3.134 7.739 13.450 1.00 0.00 O ATOM 346 CB LYS A 447 -0.241 7.199 14.154 1.00 0.00 C ATOM 347 CG LYS A 447 0.097 8.396 15.064 1.00 0.00 C ATOM 348 CD LYS A 447 0.499 7.964 16.485 1.00 0.00 C ATOM 349 CE LYS A 447 1.755 7.080 16.565 1.00 0.00 C ATOM 350 NZ LYS A 447 2.995 7.824 16.221 1.00 0.00 N ATOM 0 H LYS A 447 1.037 8.518 12.521 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.088 6.708 12.211 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -0.951 6.553 14.670 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.663 6.613 13.991 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.911 8.968 14.618 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -0.766 9.060 15.120 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.663 8.858 17.087 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -0.335 7.425 16.934 1.00 0.00 H new ATOM 0 HE2 LYS A 447 1.846 6.673 17.572 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.643 6.233 15.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 3.813 7.186 16.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 2.922 8.190 15.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 3.119 8.617 16.882 1.00 0.00 H new ATOM 364 N GLU A 448 -2.267 9.586 12.523 1.00 0.00 N ATOM 365 CA GLU A 448 -3.489 10.405 12.541 1.00 0.00 C ATOM 366 C GLU A 448 -4.394 10.209 11.302 1.00 0.00 C ATOM 367 O GLU A 448 -5.543 10.659 11.310 1.00 0.00 O ATOM 368 CB GLU A 448 -3.101 11.889 12.672 1.00 0.00 C ATOM 369 CG GLU A 448 -2.373 12.195 13.989 1.00 0.00 C ATOM 370 CD GLU A 448 -2.097 13.703 14.131 1.00 0.00 C ATOM 371 OE1 GLU A 448 -1.039 14.182 13.651 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.932 14.427 14.730 1.00 0.00 O ATOM 0 H GLU A 448 -1.463 10.089 12.148 1.00 0.00 H new ATOM 0 HA GLU A 448 -4.075 10.075 13.399 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.462 12.169 11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -3.999 12.503 12.607 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -2.976 11.851 14.830 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -1.433 11.645 14.025 1.00 0.00 H new ATOM 379 N TRP A 449 -3.910 9.546 10.239 1.00 0.00 N ATOM 380 CA TRP A 449 -4.707 9.223 9.042 1.00 0.00 C ATOM 381 C TRP A 449 -5.880 8.275 9.330 1.00 0.00 C ATOM 382 O TRP A 449 -5.845 7.489 10.284 1.00 0.00 O ATOM 383 CB TRP A 449 -3.805 8.624 7.952 1.00 0.00 C ATOM 384 CG TRP A 449 -3.146 9.619 7.047 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.260 10.570 7.422 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.319 9.780 5.603 1.00 0.00 C ATOM 387 NE1 TRP A 449 -1.871 11.303 6.316 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.509 10.873 5.172 1.00 0.00 C ATOM 389 CE3 TRP A 449 -4.083 9.119 4.614 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.475 11.301 3.838 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -4.051 9.538 3.269 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.253 10.629 2.880 1.00 0.00 C ATOM 0 H TRP A 449 -2.946 9.216 10.185 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.140 10.162 8.696 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -3.031 8.026 8.433 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.401 7.944 7.344 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -1.910 10.732 8.431 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -1.196 12.067 6.343 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -4.701 8.279 4.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -1.857 12.139 3.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -4.644 9.018 2.531 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.238 10.949 1.849 1.00 0.00 H new ATOM 403 N LYS A 450 -6.890 8.299 8.450 1.00 0.00 N ATOM 404 CA LYS A 450 -8.136 7.514 8.521 1.00 0.00 C ATOM 405 C LYS A 450 -8.445 6.821 7.188 1.00 0.00 C ATOM 406 O LYS A 450 -7.974 7.246 6.133 1.00 0.00 O ATOM 407 CB LYS A 450 -9.315 8.448 8.884 1.00 0.00 C ATOM 408 CG LYS A 450 -9.160 9.278 10.172 1.00 0.00 C ATOM 409 CD LYS A 450 -9.101 8.461 11.468 1.00 0.00 C ATOM 410 CE LYS A 450 -10.418 7.726 11.750 1.00 0.00 C ATOM 411 NZ LYS A 450 -10.407 7.086 13.088 1.00 0.00 N ATOM 0 H LYS A 450 -6.861 8.897 7.625 1.00 0.00 H new ATOM 0 HA LYS A 450 -8.004 6.748 9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -9.476 9.134 8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -10.216 7.841 8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -8.251 9.874 10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -9.994 9.976 10.239 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -8.289 7.736 11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -8.870 9.123 12.303 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -11.249 8.429 11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -10.584 6.968 10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -11.312 6.598 13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -9.629 6.398 13.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -10.273 7.813 13.819 1.00 0.00 H new ATOM 425 N THR A 451 -9.328 5.821 7.218 1.00 0.00 N ATOM 426 CA THR A 451 -9.920 5.186 6.026 1.00 0.00 C ATOM 427 C THR A 451 -10.545 6.216 5.077 1.00 0.00 C ATOM 428 O THR A 451 -10.444 6.089 3.859 1.00 0.00 O ATOM 429 CB THR A 451 -11.019 4.182 6.420 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.717 3.495 7.616 1.00 0.00 O ATOM 431 CG2 THR A 451 -11.238 3.139 5.329 1.00 0.00 C ATOM 0 H THR A 451 -9.664 5.416 8.092 1.00 0.00 H new ATOM 0 HA THR A 451 -9.102 4.674 5.520 1.00 0.00 H new ATOM 0 HB THR A 451 -11.920 4.778 6.563 1.00 0.00 H new ATOM 0 HG1 THR A 451 -11.442 2.871 7.827 1.00 0.00 H new ATOM 0 HG21 THR A 451 -12.020 2.446 5.640 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.538 3.635 4.406 1.00 0.00 H new ATOM 0 HG23 THR A 451 -10.312 2.589 5.160 1.00 0.00 H new ATOM 439 N SER A 452 -11.148 7.278 5.620 1.00 0.00 N ATOM 440 CA SER A 452 -11.719 8.373 4.831 1.00 0.00 C ATOM 441 C SER A 452 -10.669 9.190 4.070 1.00 0.00 C ATOM 442 O SER A 452 -10.874 9.513 2.901 1.00 0.00 O ATOM 443 CB SER A 452 -12.483 9.333 5.741 1.00 0.00 C ATOM 444 OG SER A 452 -13.588 8.677 6.346 1.00 0.00 O ATOM 0 H SER A 452 -11.254 7.403 6.627 1.00 0.00 H new ATOM 0 HA SER A 452 -12.376 7.899 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 452 -11.816 9.720 6.512 1.00 0.00 H new ATOM 0 HB3 SER A 452 -12.833 10.189 5.164 1.00 0.00 H new ATOM 0 HG SER A 452 -14.064 9.307 6.927 1.00 0.00 H new ATOM 450 N ASP A 453 -9.525 9.493 4.695 1.00 0.00 N ATOM 451 CA ASP A 453 -8.395 10.149 4.019 1.00 0.00 C ATOM 452 C ASP A 453 -7.793 9.247 2.930 1.00 0.00 C ATOM 453 O ASP A 453 -7.324 9.736 1.904 1.00 0.00 O ATOM 454 CB ASP A 453 -7.298 10.532 5.022 1.00 0.00 C ATOM 455 CG ASP A 453 -7.767 11.542 6.076 1.00 0.00 C ATOM 456 OD1 ASP A 453 -8.192 12.663 5.704 1.00 0.00 O ATOM 457 OD2 ASP A 453 -7.688 11.221 7.284 1.00 0.00 O ATOM 0 H ASP A 453 -9.355 9.292 5.680 1.00 0.00 H new ATOM 0 HA ASP A 453 -8.786 11.053 3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -6.943 9.632 5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.450 10.950 4.480 1.00 0.00 H new ATOM 462 N LEU A 454 -7.858 7.926 3.124 1.00 0.00 N ATOM 463 CA LEU A 454 -7.421 6.933 2.138 1.00 0.00 C ATOM 464 C LEU A 454 -8.374 6.882 0.928 1.00 0.00 C ATOM 465 O LEU A 454 -7.923 6.990 -0.213 1.00 0.00 O ATOM 466 CB LEU A 454 -7.256 5.561 2.824 1.00 0.00 C ATOM 467 CG LEU A 454 -5.996 5.450 3.705 1.00 0.00 C ATOM 468 CD1 LEU A 454 -6.049 4.151 4.510 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.705 5.442 2.879 1.00 0.00 C ATOM 0 H LEU A 454 -8.221 7.511 3.982 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.450 7.227 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -8.135 5.365 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -7.222 4.785 2.059 1.00 0.00 H new ATOM 0 HG LEU A 454 -5.985 6.324 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -5.158 4.072 5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -6.936 4.152 5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -6.091 3.302 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -3.847 5.362 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.715 4.592 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.634 6.366 2.306 1.00 0.00 H new ATOM 481 N TYR A 455 -9.693 6.827 1.145 1.00 0.00 N ATOM 482 CA TYR A 455 -10.670 6.983 0.058 1.00 0.00 C ATOM 483 C TYR A 455 -10.523 8.328 -0.676 1.00 0.00 C ATOM 484 O TYR A 455 -10.602 8.359 -1.904 1.00 0.00 O ATOM 485 CB TYR A 455 -12.104 6.796 0.579 1.00 0.00 C ATOM 486 CG TYR A 455 -12.518 5.352 0.818 1.00 0.00 C ATOM 487 CD1 TYR A 455 -12.555 4.445 -0.262 1.00 0.00 C ATOM 488 CD2 TYR A 455 -12.919 4.924 2.099 1.00 0.00 C ATOM 489 CE1 TYR A 455 -12.967 3.114 -0.059 1.00 0.00 C ATOM 490 CE2 TYR A 455 -13.338 3.594 2.305 1.00 0.00 C ATOM 491 CZ TYR A 455 -13.354 2.682 1.227 1.00 0.00 C ATOM 492 OH TYR A 455 -13.753 1.394 1.416 1.00 0.00 O ATOM 0 H TYR A 455 -10.110 6.676 2.063 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.461 6.200 -0.671 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -12.210 7.348 1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -12.795 7.243 -0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -12.266 4.773 -1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -12.905 5.618 2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -12.987 2.423 -0.889 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -13.647 3.272 3.288 1.00 0.00 H new ATOM 0 HH TYR A 455 -13.985 1.258 2.358 1.00 0.00 H new ATOM 502 N GLN A 456 -10.244 9.429 0.033 1.00 0.00 N ATOM 503 CA GLN A 456 -9.987 10.744 -0.570 1.00 0.00 C ATOM 504 C GLN A 456 -8.692 10.775 -1.412 1.00 0.00 C ATOM 505 O GLN A 456 -8.680 11.358 -2.500 1.00 0.00 O ATOM 506 CB GLN A 456 -9.969 11.805 0.542 1.00 0.00 C ATOM 507 CG GLN A 456 -9.925 13.241 -0.004 1.00 0.00 C ATOM 508 CD GLN A 456 -10.032 14.270 1.120 1.00 0.00 C ATOM 509 OE1 GLN A 456 -11.112 14.614 1.588 1.00 0.00 O ATOM 510 NE2 GLN A 456 -8.929 14.806 1.601 1.00 0.00 N ATOM 0 H GLN A 456 -10.190 9.433 1.052 1.00 0.00 H new ATOM 0 HA GLN A 456 -10.791 10.964 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -10.855 11.686 1.166 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -9.103 11.638 1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -8.996 13.395 -0.552 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -10.741 13.388 -0.712 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -8.022 14.532 1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -8.982 15.495 2.351 1.00 0.00 H new ATOM 519 N LEU A 457 -7.621 10.112 -0.957 1.00 0.00 N ATOM 520 CA LEU A 457 -6.339 9.982 -1.666 1.00 0.00 C ATOM 521 C LEU A 457 -6.490 9.235 -3.005 1.00 0.00 C ATOM 522 O LEU A 457 -5.820 9.573 -3.982 1.00 0.00 O ATOM 523 CB LEU A 457 -5.336 9.279 -0.724 1.00 0.00 C ATOM 524 CG LEU A 457 -3.966 8.923 -1.334 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.206 10.157 -1.817 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.104 8.210 -0.291 1.00 0.00 C ATOM 0 H LEU A 457 -7.622 9.635 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 457 -5.966 10.973 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -5.170 9.921 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.796 8.362 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 457 -4.160 8.278 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.248 9.852 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.792 10.669 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.036 10.831 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -2.137 7.961 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.957 8.864 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.603 7.296 0.031 1.00 0.00 H new ATOM 538 N PHE A 458 -7.405 8.264 -3.064 1.00 0.00 N ATOM 539 CA PHE A 458 -7.594 7.378 -4.223 1.00 0.00 C ATOM 540 C PHE A 458 -8.911 7.600 -4.997 1.00 0.00 C ATOM 541 O PHE A 458 -9.224 6.841 -5.918 1.00 0.00 O ATOM 542 CB PHE A 458 -7.413 5.929 -3.759 1.00 0.00 C ATOM 543 CG PHE A 458 -6.009 5.600 -3.275 1.00 0.00 C ATOM 544 CD1 PHE A 458 -4.935 5.631 -4.184 1.00 0.00 C ATOM 545 CD2 PHE A 458 -5.761 5.267 -1.929 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.629 5.340 -3.757 1.00 0.00 C ATOM 547 CE2 PHE A 458 -4.452 4.994 -1.495 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.384 5.029 -2.409 1.00 0.00 C ATOM 0 H PHE A 458 -8.047 8.066 -2.297 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.833 7.628 -4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -8.120 5.726 -2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.667 5.261 -4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -5.117 5.881 -5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -6.580 5.221 -1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.813 5.355 -4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -4.266 4.757 -0.458 1.00 0.00 H new ATOM 0 HZ PHE A 458 -2.379 4.818 -2.076 1.00 0.00 H new ATOM 558 N SER A 459 -9.659 8.670 -4.700 1.00 0.00 N ATOM 559 CA SER A 459 -10.864 9.077 -5.453 1.00 0.00 C ATOM 560 C SER A 459 -10.603 9.338 -6.948 1.00 0.00 C ATOM 561 O SER A 459 -11.517 9.209 -7.765 1.00 0.00 O ATOM 562 CB SER A 459 -11.495 10.325 -4.822 1.00 0.00 C ATOM 563 OG SER A 459 -12.140 10.002 -3.601 1.00 0.00 O ATOM 0 H SER A 459 -9.445 9.290 -3.919 1.00 0.00 H new ATOM 0 HA SER A 459 -11.549 8.231 -5.393 1.00 0.00 H new ATOM 0 HB2 SER A 459 -10.726 11.076 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 459 -12.215 10.763 -5.514 1.00 0.00 H new ATOM 0 HG SER A 459 -11.547 9.444 -3.056 1.00 0.00 H new ATOM 569 N ALA A 460 -9.351 9.623 -7.330 1.00 0.00 N ATOM 570 CA ALA A 460 -8.886 9.719 -8.719 1.00 0.00 C ATOM 571 C ALA A 460 -9.077 8.429 -9.556 1.00 0.00 C ATOM 572 O ALA A 460 -9.016 8.483 -10.788 1.00 0.00 O ATOM 573 CB ALA A 460 -7.411 10.140 -8.690 1.00 0.00 C ATOM 0 H ALA A 460 -8.607 9.799 -6.655 1.00 0.00 H new ATOM 0 HA ALA A 460 -9.506 10.460 -9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -7.035 10.220 -9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -7.318 11.105 -8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -6.830 9.394 -8.147 1.00 0.00 H new ATOM 579 N PHE A 461 -9.336 7.284 -8.909 1.00 0.00 N ATOM 580 CA PHE A 461 -9.510 5.966 -9.538 1.00 0.00 C ATOM 581 C PHE A 461 -10.942 5.406 -9.414 1.00 0.00 C ATOM 582 O PHE A 461 -11.211 4.282 -9.846 1.00 0.00 O ATOM 583 CB PHE A 461 -8.464 5.008 -8.943 1.00 0.00 C ATOM 584 CG PHE A 461 -7.018 5.458 -9.096 1.00 0.00 C ATOM 585 CD1 PHE A 461 -6.526 5.915 -10.337 1.00 0.00 C ATOM 586 CD2 PHE A 461 -6.155 5.418 -7.985 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.188 6.326 -10.464 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.818 5.833 -8.112 1.00 0.00 C ATOM 589 CZ PHE A 461 -4.331 6.285 -9.351 1.00 0.00 C ATOM 0 H PHE A 461 -9.434 7.249 -7.894 1.00 0.00 H new ATOM 0 HA PHE A 461 -9.354 6.074 -10.611 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -8.677 4.875 -7.882 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -8.577 4.032 -9.415 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -7.182 5.949 -11.195 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.521 5.067 -7.031 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.818 6.673 -11.417 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.162 5.805 -7.254 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.302 6.599 -9.447 1.00 0.00 H new ATOM 599 N GLY A 462 -11.873 6.180 -8.843 1.00 0.00 N ATOM 600 CA GLY A 462 -13.313 5.891 -8.773 1.00 0.00 C ATOM 601 C GLY A 462 -13.729 4.900 -7.678 1.00 0.00 C ATOM 602 O GLY A 462 -14.693 5.158 -6.951 1.00 0.00 O ATOM 0 H GLY A 462 -11.633 7.065 -8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -13.848 6.828 -8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -13.636 5.498 -9.737 1.00 0.00 H new ATOM 606 N ASN A 463 -13.002 3.787 -7.524 1.00 0.00 N ATOM 607 CA ASN A 463 -13.255 2.754 -6.513 1.00 0.00 C ATOM 608 C ASN A 463 -11.968 1.988 -6.138 1.00 0.00 C ATOM 609 O ASN A 463 -11.123 1.717 -6.997 1.00 0.00 O ATOM 610 CB ASN A 463 -14.332 1.795 -7.061 1.00 0.00 C ATOM 611 CG ASN A 463 -14.718 0.722 -6.056 1.00 0.00 C ATOM 612 OD1 ASN A 463 -14.299 -0.424 -6.140 1.00 0.00 O ATOM 613 ND2 ASN A 463 -15.504 1.065 -5.060 1.00 0.00 N ATOM 0 H ASN A 463 -12.199 3.574 -8.116 1.00 0.00 H new ATOM 0 HA ASN A 463 -13.607 3.227 -5.596 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -15.218 2.367 -7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -13.964 1.321 -7.971 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -15.765 0.375 -4.356 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -15.853 2.021 -4.991 1.00 0.00 H new ATOM 620 N ILE A 464 -11.854 1.613 -4.859 1.00 0.00 N ATOM 621 CA ILE A 464 -10.737 0.853 -4.267 1.00 0.00 C ATOM 622 C ILE A 464 -11.224 -0.101 -3.158 1.00 0.00 C ATOM 623 O ILE A 464 -12.396 -0.074 -2.768 1.00 0.00 O ATOM 624 CB ILE A 464 -9.656 1.808 -3.687 1.00 0.00 C ATOM 625 CG1 ILE A 464 -10.193 2.732 -2.570 1.00 0.00 C ATOM 626 CG2 ILE A 464 -8.990 2.634 -4.798 1.00 0.00 C ATOM 627 CD1 ILE A 464 -9.082 3.253 -1.652 1.00 0.00 C ATOM 0 H ILE A 464 -12.572 1.841 -4.171 1.00 0.00 H new ATOM 0 HA ILE A 464 -10.298 0.260 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 464 -8.905 1.166 -3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -10.713 3.577 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -10.926 2.188 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -8.239 3.292 -4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -8.514 1.964 -5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -9.744 3.233 -5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -9.515 3.897 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -8.578 2.411 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -8.362 3.822 -2.239 1.00 0.00 H new ATOM 639 N GLN A 465 -10.308 -0.903 -2.604 1.00 0.00 N ATOM 640 CA GLN A 465 -10.510 -1.693 -1.382 1.00 0.00 C ATOM 641 C GLN A 465 -9.261 -1.586 -0.492 1.00 0.00 C ATOM 642 O GLN A 465 -8.144 -1.502 -1.004 1.00 0.00 O ATOM 643 CB GLN A 465 -10.847 -3.155 -1.748 1.00 0.00 C ATOM 644 CG GLN A 465 -11.310 -4.024 -0.565 1.00 0.00 C ATOM 645 CD GLN A 465 -12.504 -3.442 0.190 1.00 0.00 C ATOM 646 OE1 GLN A 465 -12.356 -2.631 1.097 1.00 0.00 O ATOM 647 NE2 GLN A 465 -13.721 -3.818 -0.146 1.00 0.00 N ATOM 0 H GLN A 465 -9.378 -1.025 -3.005 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.355 -1.301 -0.816 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -11.628 -3.154 -2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -9.967 -3.615 -2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -11.572 -5.016 -0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -10.479 -4.151 0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -13.857 -4.492 -0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -14.528 -3.435 0.347 1.00 0.00 H new ATOM 656 N ILE A 466 -9.437 -1.580 0.834 1.00 0.00 N ATOM 657 CA ILE A 466 -8.381 -1.260 1.815 1.00 0.00 C ATOM 658 C ILE A 466 -8.213 -2.422 2.806 1.00 0.00 C ATOM 659 O ILE A 466 -9.195 -2.945 3.341 1.00 0.00 O ATOM 660 CB ILE A 466 -8.709 0.071 2.547 1.00 0.00 C ATOM 661 CG1 ILE A 466 -8.858 1.251 1.553 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.622 0.402 3.593 1.00 0.00 C ATOM 663 CD1 ILE A 466 -9.437 2.532 2.168 1.00 0.00 C ATOM 0 H ILE A 466 -10.333 -1.801 1.269 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.434 -1.125 1.292 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.664 -0.068 3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -7.880 1.477 1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.499 0.937 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -7.872 1.338 4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.569 -0.400 4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.657 0.503 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -9.506 3.304 1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -10.430 2.327 2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -8.786 2.876 2.972 1.00 0.00 H new ATOM 675 N SER A 467 -6.959 -2.799 3.072 1.00 0.00 N ATOM 676 CA SER A 467 -6.552 -3.863 3.993 1.00 0.00 C ATOM 677 C SER A 467 -5.399 -3.377 4.877 1.00 0.00 C ATOM 678 O SER A 467 -4.239 -3.365 4.459 1.00 0.00 O ATOM 679 CB SER A 467 -6.131 -5.109 3.204 1.00 0.00 C ATOM 680 OG SER A 467 -7.243 -5.720 2.569 1.00 0.00 O ATOM 0 H SER A 467 -6.160 -2.347 2.628 1.00 0.00 H new ATOM 0 HA SER A 467 -7.396 -4.124 4.631 1.00 0.00 H new ATOM 0 HB2 SER A 467 -5.389 -4.834 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.656 -5.824 3.876 1.00 0.00 H new ATOM 0 HG SER A 467 -6.943 -6.510 2.073 1.00 0.00 H new ATOM 686 N TRP A 468 -5.719 -2.919 6.089 1.00 0.00 N ATOM 687 CA TRP A 468 -4.749 -2.407 7.068 1.00 0.00 C ATOM 688 C TRP A 468 -3.627 -3.401 7.411 1.00 0.00 C ATOM 689 O TRP A 468 -3.803 -4.620 7.328 1.00 0.00 O ATOM 690 CB TRP A 468 -5.489 -2.010 8.348 1.00 0.00 C ATOM 691 CG TRP A 468 -6.433 -0.855 8.211 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.774 -0.936 8.070 1.00 0.00 C ATOM 693 CD2 TRP A 468 -6.127 0.570 8.264 1.00 0.00 C ATOM 694 NE1 TRP A 468 -8.307 0.335 7.952 1.00 0.00 N ATOM 695 CE2 TRP A 468 -7.332 1.304 8.059 1.00 0.00 C ATOM 696 CE3 TRP A 468 -4.954 1.316 8.498 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -7.359 2.705 8.023 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -4.980 2.722 8.493 1.00 0.00 C ATOM 699 CH2 TRP A 468 -6.169 3.421 8.230 1.00 0.00 C ATOM 0 H TRP A 468 -6.681 -2.892 6.428 1.00 0.00 H new ATOM 0 HA TRP A 468 -4.265 -1.546 6.607 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -6.048 -2.874 8.707 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -4.752 -1.766 9.113 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -8.343 -1.854 8.052 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -9.297 0.531 7.804 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -4.023 0.801 8.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -8.285 3.228 7.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -4.073 3.272 8.694 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -6.168 4.500 8.187 1.00 0.00 H new ATOM 710 N ILE A 469 -2.489 -2.866 7.865 1.00 0.00 N ATOM 711 CA ILE A 469 -1.304 -3.634 8.287 1.00 0.00 C ATOM 712 C ILE A 469 -0.855 -3.180 9.689 1.00 0.00 C ATOM 713 O ILE A 469 -0.508 -4.010 10.532 1.00 0.00 O ATOM 714 CB ILE A 469 -0.142 -3.471 7.274 1.00 0.00 C ATOM 715 CG1 ILE A 469 -0.551 -3.623 5.790 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.956 -4.512 7.562 1.00 0.00 C ATOM 717 CD1 ILE A 469 0.483 -3.010 4.838 1.00 0.00 C ATOM 0 H ILE A 469 -2.359 -1.858 7.953 1.00 0.00 H new ATOM 0 HA ILE A 469 -1.576 -4.689 8.321 1.00 0.00 H new ATOM 0 HB ILE A 469 0.208 -2.448 7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -0.676 -4.680 5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -1.517 -3.145 5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 469 1.769 -4.391 6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 469 1.338 -4.368 8.573 1.00 0.00 H new ATOM 0 HG23 ILE A 469 0.539 -5.515 7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 469 0.152 -3.141 3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 469 0.589 -1.947 5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 469 1.444 -3.506 4.976 1.00 0.00 H new ATOM 729 N ASP A 470 -0.921 -1.874 9.965 1.00 0.00 N ATOM 730 CA ASP A 470 -0.654 -1.259 11.273 1.00 0.00 C ATOM 731 C ASP A 470 -1.424 0.076 11.412 1.00 0.00 C ATOM 732 O ASP A 470 -2.212 0.451 10.540 1.00 0.00 O ATOM 733 CB ASP A 470 0.868 -1.057 11.437 1.00 0.00 C ATOM 734 CG ASP A 470 1.320 -1.180 12.903 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.155 -0.207 13.676 1.00 0.00 O ATOM 736 OD2 ASP A 470 1.841 -2.254 13.293 1.00 0.00 O ATOM 0 H ASP A 470 -1.172 -1.186 9.255 1.00 0.00 H new ATOM 0 HA ASP A 470 -1.005 -1.918 12.068 1.00 0.00 H new ATOM 0 HB2 ASP A 470 1.397 -1.794 10.833 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.145 -0.074 11.055 1.00 0.00 H new ATOM 741 N ASP A 471 -1.170 0.836 12.477 1.00 0.00 N ATOM 742 CA ASP A 471 -1.690 2.200 12.677 1.00 0.00 C ATOM 743 C ASP A 471 -1.173 3.205 11.625 1.00 0.00 C ATOM 744 O ASP A 471 -1.762 4.277 11.455 1.00 0.00 O ATOM 745 CB ASP A 471 -1.293 2.699 14.078 1.00 0.00 C ATOM 746 CG ASP A 471 -2.160 2.155 15.228 1.00 0.00 C ATOM 747 OD1 ASP A 471 -2.738 1.048 15.122 1.00 0.00 O ATOM 748 OD2 ASP A 471 -2.256 2.860 16.263 1.00 0.00 O ATOM 0 H ASP A 471 -0.583 0.517 13.248 1.00 0.00 H new ATOM 0 HA ASP A 471 -2.773 2.144 12.570 1.00 0.00 H new ATOM 0 HB2 ASP A 471 -0.254 2.426 14.265 1.00 0.00 H new ATOM 0 HB3 ASP A 471 -1.343 3.788 14.088 1.00 0.00 H new ATOM 753 N THR A 472 -0.089 2.866 10.918 1.00 0.00 N ATOM 754 CA THR A 472 0.693 3.752 10.033 1.00 0.00 C ATOM 755 C THR A 472 0.904 3.203 8.614 1.00 0.00 C ATOM 756 O THR A 472 1.576 3.845 7.803 1.00 0.00 O ATOM 757 CB THR A 472 2.069 4.044 10.660 1.00 0.00 C ATOM 758 OG1 THR A 472 2.729 2.830 10.974 1.00 0.00 O ATOM 759 CG2 THR A 472 1.957 4.861 11.948 1.00 0.00 C ATOM 0 H THR A 472 0.290 1.919 10.946 1.00 0.00 H new ATOM 0 HA THR A 472 0.100 4.661 9.935 1.00 0.00 H new ATOM 0 HB THR A 472 2.631 4.618 9.923 1.00 0.00 H new ATOM 0 HG1 THR A 472 3.604 3.026 11.370 1.00 0.00 H new ATOM 0 HG21 THR A 472 2.953 5.041 12.352 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.475 5.815 11.733 1.00 0.00 H new ATOM 0 HG23 THR A 472 1.363 4.310 12.678 1.00 0.00 H new ATOM 767 N SER A 473 0.335 2.036 8.279 1.00 0.00 N ATOM 768 CA SER A 473 0.380 1.491 6.912 1.00 0.00 C ATOM 769 C SER A 473 -0.785 0.554 6.568 1.00 0.00 C ATOM 770 O SER A 473 -1.384 -0.091 7.438 1.00 0.00 O ATOM 771 CB SER A 473 1.719 0.787 6.640 1.00 0.00 C ATOM 772 OG SER A 473 1.945 -0.294 7.531 1.00 0.00 O ATOM 0 H SER A 473 -0.167 1.446 8.942 1.00 0.00 H new ATOM 0 HA SER A 473 0.279 2.357 6.258 1.00 0.00 H new ATOM 0 HB2 SER A 473 1.733 0.419 5.614 1.00 0.00 H new ATOM 0 HB3 SER A 473 2.532 1.507 6.731 1.00 0.00 H new ATOM 0 HG SER A 473 2.805 -0.715 7.323 1.00 0.00 H new ATOM 778 N ALA A 474 -1.095 0.476 5.272 1.00 0.00 N ATOM 779 CA ALA A 474 -2.176 -0.331 4.705 1.00 0.00 C ATOM 780 C ALA A 474 -1.872 -0.761 3.255 1.00 0.00 C ATOM 781 O ALA A 474 -1.180 -0.058 2.516 1.00 0.00 O ATOM 782 CB ALA A 474 -3.474 0.491 4.748 1.00 0.00 C ATOM 0 H ALA A 474 -0.579 0.994 4.561 1.00 0.00 H new ATOM 0 HA ALA A 474 -2.279 -1.241 5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.291 -0.096 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.707 0.750 5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.347 1.403 4.165 1.00 0.00 H new ATOM 788 N PHE A 475 -2.421 -1.904 2.835 1.00 0.00 N ATOM 789 CA PHE A 475 -2.461 -2.325 1.433 1.00 0.00 C ATOM 790 C PHE A 475 -3.748 -1.784 0.788 1.00 0.00 C ATOM 791 O PHE A 475 -4.792 -1.710 1.446 1.00 0.00 O ATOM 792 CB PHE A 475 -2.430 -3.859 1.324 1.00 0.00 C ATOM 793 CG PHE A 475 -1.110 -4.522 1.678 1.00 0.00 C ATOM 794 CD1 PHE A 475 0.001 -4.366 0.826 1.00 0.00 C ATOM 795 CD2 PHE A 475 -0.997 -5.340 2.821 1.00 0.00 C ATOM 796 CE1 PHE A 475 1.211 -5.025 1.106 1.00 0.00 C ATOM 797 CE2 PHE A 475 0.210 -6.007 3.096 1.00 0.00 C ATOM 798 CZ PHE A 475 1.310 -5.854 2.237 1.00 0.00 C ATOM 0 H PHE A 475 -2.857 -2.573 3.470 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.587 -1.929 0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.205 -4.266 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.692 -4.137 0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -0.077 -3.736 -0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -1.840 -5.455 3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 475 2.062 -4.895 0.454 1.00 0.00 H new ATOM 0 HE2 PHE A 475 0.291 -6.638 3.969 1.00 0.00 H new ATOM 0 HZ PHE A 475 2.233 -6.374 2.445 1.00 0.00 H new ATOM 808 N VAL A 476 -3.696 -1.426 -0.500 1.00 0.00 N ATOM 809 CA VAL A 476 -4.825 -0.823 -1.231 1.00 0.00 C ATOM 810 C VAL A 476 -4.952 -1.422 -2.635 1.00 0.00 C ATOM 811 O VAL A 476 -4.111 -1.199 -3.505 1.00 0.00 O ATOM 812 CB VAL A 476 -4.719 0.718 -1.289 1.00 0.00 C ATOM 813 CG1 VAL A 476 -5.925 1.323 -2.021 1.00 0.00 C ATOM 814 CG2 VAL A 476 -4.683 1.338 0.117 1.00 0.00 C ATOM 0 H VAL A 476 -2.861 -1.547 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.733 -1.061 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 476 -3.793 0.940 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.827 2.408 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -5.964 0.936 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -6.842 1.055 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.608 2.422 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.595 1.077 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.820 0.955 0.662 1.00 0.00 H new ATOM 824 N SER A 477 -6.021 -2.184 -2.850 1.00 0.00 N ATOM 825 CA SER A 477 -6.448 -2.723 -4.148 1.00 0.00 C ATOM 826 C SER A 477 -7.099 -1.635 -5.005 1.00 0.00 C ATOM 827 O SER A 477 -7.925 -0.872 -4.500 1.00 0.00 O ATOM 828 CB SER A 477 -7.507 -3.799 -3.896 1.00 0.00 C ATOM 829 OG SER A 477 -6.941 -4.925 -3.246 1.00 0.00 O ATOM 0 H SER A 477 -6.646 -2.458 -2.092 1.00 0.00 H new ATOM 0 HA SER A 477 -5.574 -3.119 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 477 -8.311 -3.388 -3.285 1.00 0.00 H new ATOM 0 HB3 SER A 477 -7.951 -4.106 -4.843 1.00 0.00 H new ATOM 0 HG SER A 477 -7.636 -5.599 -3.094 1.00 0.00 H new ATOM 835 N LEU A 478 -6.793 -1.600 -6.305 1.00 0.00 N ATOM 836 CA LEU A 478 -7.354 -0.635 -7.263 1.00 0.00 C ATOM 837 C LEU A 478 -8.271 -1.310 -8.299 1.00 0.00 C ATOM 838 O LEU A 478 -8.234 -2.530 -8.486 1.00 0.00 O ATOM 839 CB LEU A 478 -6.211 0.124 -7.965 1.00 0.00 C ATOM 840 CG LEU A 478 -5.205 0.840 -7.043 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.243 1.634 -7.918 1.00 0.00 C ATOM 842 CD2 LEU A 478 -5.853 1.824 -6.073 1.00 0.00 C ATOM 0 H LEU A 478 -6.136 -2.253 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 478 -7.971 0.069 -6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.662 -0.582 -8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.651 0.864 -8.633 1.00 0.00 H new ATOM 0 HG LEU A 478 -4.714 0.067 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -3.520 2.151 -7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.718 0.955 -8.591 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.802 2.365 -8.503 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -5.083 2.289 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -6.382 2.594 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -6.558 1.293 -5.433 1.00 0.00 H new ATOM 854 N SER A 479 -9.091 -0.509 -8.989 1.00 0.00 N ATOM 855 CA SER A 479 -10.041 -0.978 -10.011 1.00 0.00 C ATOM 856 C SER A 479 -9.355 -1.605 -11.239 1.00 0.00 C ATOM 857 O SER A 479 -9.865 -2.575 -11.808 1.00 0.00 O ATOM 858 CB SER A 479 -10.939 0.191 -10.440 1.00 0.00 C ATOM 859 OG SER A 479 -12.003 -0.259 -11.262 1.00 0.00 O ATOM 0 H SER A 479 -9.115 0.502 -8.852 1.00 0.00 H new ATOM 0 HA SER A 479 -10.637 -1.771 -9.560 1.00 0.00 H new ATOM 0 HB2 SER A 479 -11.342 0.687 -9.557 1.00 0.00 H new ATOM 0 HB3 SER A 479 -10.346 0.930 -10.979 1.00 0.00 H new ATOM 0 HG SER A 479 -12.561 0.504 -11.521 1.00 0.00 H new ATOM 865 N GLN A 480 -8.176 -1.097 -11.627 1.00 0.00 N ATOM 866 CA GLN A 480 -7.384 -1.565 -12.777 1.00 0.00 C ATOM 867 C GLN A 480 -5.873 -1.558 -12.455 1.00 0.00 C ATOM 868 O GLN A 480 -5.416 -0.696 -11.697 1.00 0.00 O ATOM 869 CB GLN A 480 -7.653 -0.658 -13.995 1.00 0.00 C ATOM 870 CG GLN A 480 -9.114 -0.671 -14.482 1.00 0.00 C ATOM 871 CD GLN A 480 -9.355 0.208 -15.712 1.00 0.00 C ATOM 872 OE1 GLN A 480 -8.505 0.957 -16.179 1.00 0.00 O ATOM 873 NE2 GLN A 480 -10.540 0.157 -16.287 1.00 0.00 N ATOM 0 H GLN A 480 -7.732 -0.323 -11.133 1.00 0.00 H new ATOM 0 HA GLN A 480 -7.683 -2.589 -13.001 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -7.376 0.365 -13.740 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -7.006 -0.969 -14.815 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -9.402 -1.696 -14.716 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -9.762 -0.335 -13.672 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -11.262 -0.460 -15.914 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -10.735 0.734 -17.105 1.00 0.00 H new ATOM 882 N PRO A 481 -5.059 -2.460 -13.043 1.00 0.00 N ATOM 883 CA PRO A 481 -3.626 -2.554 -12.746 1.00 0.00 C ATOM 884 C PRO A 481 -2.797 -1.374 -13.283 1.00 0.00 C ATOM 885 O PRO A 481 -1.754 -1.054 -12.719 1.00 0.00 O ATOM 886 CB PRO A 481 -3.173 -3.889 -13.347 1.00 0.00 C ATOM 887 CG PRO A 481 -4.153 -4.116 -14.496 1.00 0.00 C ATOM 888 CD PRO A 481 -5.455 -3.519 -13.963 1.00 0.00 C ATOM 0 HA PRO A 481 -3.463 -2.508 -11.669 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -2.143 -3.840 -13.702 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -3.220 -4.695 -12.615 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -3.826 -3.619 -15.409 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -4.261 -5.175 -14.730 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -6.065 -3.124 -14.775 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -6.053 -4.275 -13.454 1.00 0.00 H new ATOM 896 N GLU A 482 -3.252 -0.674 -14.329 1.00 0.00 N ATOM 897 CA GLU A 482 -2.581 0.542 -14.829 1.00 0.00 C ATOM 898 C GLU A 482 -2.609 1.713 -13.826 1.00 0.00 C ATOM 899 O GLU A 482 -1.696 2.541 -13.805 1.00 0.00 O ATOM 900 CB GLU A 482 -3.161 0.953 -16.194 1.00 0.00 C ATOM 901 CG GLU A 482 -4.654 1.314 -16.186 1.00 0.00 C ATOM 902 CD GLU A 482 -5.123 1.710 -17.601 1.00 0.00 C ATOM 903 OE1 GLU A 482 -5.371 0.808 -18.440 1.00 0.00 O ATOM 904 OE2 GLU A 482 -5.229 2.926 -17.893 1.00 0.00 O ATOM 0 H GLU A 482 -4.090 -0.928 -14.853 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.528 0.291 -14.956 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -2.598 1.809 -16.568 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -3.004 0.136 -16.899 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -5.237 0.466 -15.828 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -4.831 2.138 -15.494 1.00 0.00 H new ATOM 911 N GLN A 483 -3.615 1.759 -12.944 1.00 0.00 N ATOM 912 CA GLN A 483 -3.758 2.782 -11.900 1.00 0.00 C ATOM 913 C GLN A 483 -2.659 2.677 -10.825 1.00 0.00 C ATOM 914 O GLN A 483 -2.282 3.681 -10.218 1.00 0.00 O ATOM 915 CB GLN A 483 -5.152 2.666 -11.264 1.00 0.00 C ATOM 916 CG GLN A 483 -6.293 2.891 -12.275 1.00 0.00 C ATOM 917 CD GLN A 483 -7.680 2.631 -11.687 1.00 0.00 C ATOM 918 OE1 GLN A 483 -7.888 1.774 -10.839 1.00 0.00 O ATOM 919 NE2 GLN A 483 -8.694 3.348 -12.126 1.00 0.00 N ATOM 0 H GLN A 483 -4.368 1.072 -12.936 1.00 0.00 H new ATOM 0 HA GLN A 483 -3.645 3.761 -12.367 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.260 1.678 -10.816 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.239 3.394 -10.457 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -6.248 3.916 -12.642 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -6.142 2.238 -13.135 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -8.542 4.067 -12.833 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -9.631 3.184 -11.759 1.00 0.00 H new ATOM 928 N VAL A 484 -2.094 1.478 -10.628 1.00 0.00 N ATOM 929 CA VAL A 484 -0.976 1.213 -9.704 1.00 0.00 C ATOM 930 C VAL A 484 0.262 2.010 -10.127 1.00 0.00 C ATOM 931 O VAL A 484 0.887 2.681 -9.306 1.00 0.00 O ATOM 932 CB VAL A 484 -0.671 -0.302 -9.665 1.00 0.00 C ATOM 933 CG1 VAL A 484 0.472 -0.694 -8.726 1.00 0.00 C ATOM 934 CG2 VAL A 484 -1.898 -1.108 -9.212 1.00 0.00 C ATOM 0 H VAL A 484 -2.409 0.641 -11.119 1.00 0.00 H new ATOM 0 HA VAL A 484 -1.258 1.533 -8.701 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.382 -0.533 -10.690 1.00 0.00 H new ATOM 0 HG11 VAL A 484 0.618 -1.774 -8.761 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.388 -0.194 -9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 484 0.225 -0.394 -7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.650 -2.169 -9.195 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -2.194 -0.789 -8.213 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.721 -0.938 -9.906 1.00 0.00 H new ATOM 944 N GLN A 485 0.580 2.003 -11.426 1.00 0.00 N ATOM 945 CA GLN A 485 1.702 2.759 -11.996 1.00 0.00 C ATOM 946 C GLN A 485 1.490 4.278 -11.872 1.00 0.00 C ATOM 947 O GLN A 485 2.428 5.006 -11.536 1.00 0.00 O ATOM 948 CB GLN A 485 1.902 2.366 -13.470 1.00 0.00 C ATOM 949 CG GLN A 485 2.252 0.878 -13.653 1.00 0.00 C ATOM 950 CD GLN A 485 2.419 0.491 -15.124 1.00 0.00 C ATOM 951 OE1 GLN A 485 3.063 1.170 -15.916 1.00 0.00 O ATOM 952 NE2 GLN A 485 1.847 -0.615 -15.556 1.00 0.00 N ATOM 0 H GLN A 485 0.060 1.466 -12.120 1.00 0.00 H new ATOM 0 HA GLN A 485 2.598 2.507 -11.428 1.00 0.00 H new ATOM 0 HB2 GLN A 485 0.992 2.591 -14.027 1.00 0.00 H new ATOM 0 HB3 GLN A 485 2.697 2.976 -13.898 1.00 0.00 H new ATOM 0 HG2 GLN A 485 3.174 0.656 -13.116 1.00 0.00 H new ATOM 0 HG3 GLN A 485 1.468 0.266 -13.207 1.00 0.00 H new ATOM 0 HE21 GLN A 485 1.307 -1.194 -14.913 1.00 0.00 H new ATOM 0 HE22 GLN A 485 1.945 -0.892 -16.533 1.00 0.00 H new ATOM 961 N ILE A 486 0.255 4.755 -12.083 1.00 0.00 N ATOM 962 CA ILE A 486 -0.120 6.170 -11.913 1.00 0.00 C ATOM 963 C ILE A 486 0.107 6.618 -10.461 1.00 0.00 C ATOM 964 O ILE A 486 0.781 7.621 -10.236 1.00 0.00 O ATOM 965 CB ILE A 486 -1.576 6.421 -12.385 1.00 0.00 C ATOM 966 CG1 ILE A 486 -1.704 6.131 -13.900 1.00 0.00 C ATOM 967 CG2 ILE A 486 -2.021 7.867 -12.084 1.00 0.00 C ATOM 968 CD1 ILE A 486 -3.141 6.171 -14.440 1.00 0.00 C ATOM 0 H ILE A 486 -0.522 4.164 -12.380 1.00 0.00 H new ATOM 0 HA ILE A 486 0.526 6.780 -12.545 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.229 5.744 -11.834 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -1.104 6.858 -14.448 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -1.280 5.148 -14.105 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -3.046 8.011 -12.427 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -1.969 8.048 -11.010 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -1.364 8.565 -12.602 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -3.134 5.956 -15.509 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -3.745 5.424 -13.924 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -3.566 7.161 -14.271 1.00 0.00 H new ATOM 980 N ALA A 487 -0.384 5.864 -9.474 1.00 0.00 N ATOM 981 CA ALA A 487 -0.234 6.196 -8.053 1.00 0.00 C ATOM 982 C ALA A 487 1.232 6.218 -7.578 1.00 0.00 C ATOM 983 O ALA A 487 1.627 7.091 -6.802 1.00 0.00 O ATOM 984 CB ALA A 487 -1.030 5.169 -7.248 1.00 0.00 C ATOM 0 H ALA A 487 -0.900 5.000 -9.639 1.00 0.00 H new ATOM 0 HA ALA A 487 -0.610 7.208 -7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -0.938 5.390 -6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -2.080 5.214 -7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -0.641 4.170 -7.446 1.00 0.00 H new ATOM 990 N VAL A 488 2.061 5.282 -8.056 1.00 0.00 N ATOM 991 CA VAL A 488 3.511 5.288 -7.793 1.00 0.00 C ATOM 992 C VAL A 488 4.176 6.529 -8.408 1.00 0.00 C ATOM 993 O VAL A 488 5.001 7.164 -7.749 1.00 0.00 O ATOM 994 CB VAL A 488 4.160 3.974 -8.272 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.693 3.996 -8.202 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.690 2.807 -7.392 1.00 0.00 C ATOM 0 H VAL A 488 1.750 4.501 -8.634 1.00 0.00 H new ATOM 0 HA VAL A 488 3.669 5.347 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 488 3.856 3.855 -9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 488 6.087 3.042 -8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 488 6.074 4.800 -8.832 1.00 0.00 H new ATOM 0 HG13 VAL A 488 6.008 4.162 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 488 4.153 1.882 -7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 488 3.977 2.993 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.606 2.716 -7.457 1.00 0.00 H new ATOM 1006 N ASN A 489 3.785 6.938 -9.622 1.00 0.00 N ATOM 1007 CA ASN A 489 4.291 8.161 -10.254 1.00 0.00 C ATOM 1008 C ASN A 489 3.902 9.439 -9.482 1.00 0.00 C ATOM 1009 O ASN A 489 4.742 10.313 -9.264 1.00 0.00 O ATOM 1010 CB ASN A 489 3.792 8.230 -11.709 1.00 0.00 C ATOM 1011 CG ASN A 489 4.474 9.336 -12.501 1.00 0.00 C ATOM 1012 OD1 ASN A 489 5.689 9.485 -12.495 1.00 0.00 O ATOM 1013 ND2 ASN A 489 3.724 10.157 -13.201 1.00 0.00 N ATOM 0 H ASN A 489 3.109 6.430 -10.193 1.00 0.00 H new ATOM 0 HA ASN A 489 5.380 8.115 -10.238 1.00 0.00 H new ATOM 0 HB2 ASN A 489 3.971 7.272 -12.198 1.00 0.00 H new ATOM 0 HB3 ASN A 489 2.714 8.394 -11.714 1.00 0.00 H new ATOM 0 HD21 ASN A 489 4.155 10.912 -13.734 1.00 0.00 H new ATOM 0 HD22 ASN A 489 2.711 10.039 -13.211 1.00 0.00 H new ATOM 1020 N THR A 490 2.643 9.556 -9.053 1.00 0.00 N ATOM 1021 CA THR A 490 2.117 10.751 -8.366 1.00 0.00 C ATOM 1022 C THR A 490 2.624 10.903 -6.927 1.00 0.00 C ATOM 1023 O THR A 490 2.773 12.029 -6.445 1.00 0.00 O ATOM 1024 CB THR A 490 0.579 10.768 -8.384 1.00 0.00 C ATOM 1025 OG1 THR A 490 0.037 9.584 -7.855 1.00 0.00 O ATOM 1026 CG2 THR A 490 0.049 10.950 -9.810 1.00 0.00 C ATOM 0 H THR A 490 1.948 8.819 -9.171 1.00 0.00 H new ATOM 0 HA THR A 490 2.498 11.604 -8.928 1.00 0.00 H new ATOM 0 HB THR A 490 0.272 11.609 -7.763 1.00 0.00 H new ATOM 0 HG1 THR A 490 0.757 9.029 -7.490 1.00 0.00 H new ATOM 0 HG21 THR A 490 -1.041 10.959 -9.795 1.00 0.00 H new ATOM 0 HG22 THR A 490 0.414 11.894 -10.216 1.00 0.00 H new ATOM 0 HG23 THR A 490 0.397 10.128 -10.435 1.00 0.00 H new ATOM 1034 N SER A 491 2.969 9.802 -6.249 1.00 0.00 N ATOM 1035 CA SER A 491 3.498 9.815 -4.874 1.00 0.00 C ATOM 1036 C SER A 491 4.841 10.544 -4.698 1.00 0.00 C ATOM 1037 O SER A 491 5.151 11.000 -3.594 1.00 0.00 O ATOM 1038 CB SER A 491 3.599 8.388 -4.336 1.00 0.00 C ATOM 1039 OG SER A 491 4.721 7.692 -4.852 1.00 0.00 O ATOM 0 H SER A 491 2.889 8.864 -6.642 1.00 0.00 H new ATOM 0 HA SER A 491 2.779 10.396 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 491 3.662 8.417 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A 491 2.690 7.843 -4.588 1.00 0.00 H new ATOM 0 HG SER A 491 4.637 7.613 -5.825 1.00 0.00 H new ATOM 1045 N LYS A 492 5.607 10.741 -5.785 1.00 0.00 N ATOM 1046 CA LYS A 492 6.833 11.568 -5.827 1.00 0.00 C ATOM 1047 C LYS A 492 6.605 13.046 -5.458 1.00 0.00 C ATOM 1048 O LYS A 492 7.572 13.766 -5.200 1.00 0.00 O ATOM 1049 CB LYS A 492 7.482 11.466 -7.218 1.00 0.00 C ATOM 1050 CG LYS A 492 8.052 10.064 -7.496 1.00 0.00 C ATOM 1051 CD LYS A 492 8.741 9.961 -8.866 1.00 0.00 C ATOM 1052 CE LYS A 492 7.719 10.088 -9.999 1.00 0.00 C ATOM 1053 NZ LYS A 492 8.322 9.874 -11.338 1.00 0.00 N ATOM 0 H LYS A 492 5.387 10.318 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 492 7.499 11.167 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 492 6.743 11.713 -7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 492 8.281 12.203 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 492 8.767 9.806 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 492 7.246 9.332 -7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 492 9.494 10.744 -8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 492 9.262 9.007 -8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 492 6.919 9.364 -9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 492 7.264 11.078 -9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 7.570 9.684 -12.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 8.848 10.725 -11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 8.971 9.062 -11.301 1.00 0.00 H new ATOM 1067 N TYR A 493 5.345 13.484 -5.398 1.00 0.00 N ATOM 1068 CA TYR A 493 4.923 14.864 -5.130 1.00 0.00 C ATOM 1069 C TYR A 493 4.021 14.980 -3.879 1.00 0.00 C ATOM 1070 O TYR A 493 3.408 16.026 -3.646 1.00 0.00 O ATOM 1071 CB TYR A 493 4.256 15.424 -6.399 1.00 0.00 C ATOM 1072 CG TYR A 493 5.052 15.184 -7.673 1.00 0.00 C ATOM 1073 CD1 TYR A 493 6.235 15.910 -7.914 1.00 0.00 C ATOM 1074 CD2 TYR A 493 4.643 14.191 -8.585 1.00 0.00 C ATOM 1075 CE1 TYR A 493 7.008 15.642 -9.061 1.00 0.00 C ATOM 1076 CE2 TYR A 493 5.412 13.918 -9.733 1.00 0.00 C ATOM 1077 CZ TYR A 493 6.600 14.644 -9.974 1.00 0.00 C ATOM 1078 OH TYR A 493 7.355 14.388 -11.077 1.00 0.00 O ATOM 0 H TYR A 493 4.553 12.858 -5.542 1.00 0.00 H new ATOM 0 HA TYR A 493 5.799 15.467 -4.892 1.00 0.00 H new ATOM 0 HB2 TYR A 493 3.270 14.973 -6.508 1.00 0.00 H new ATOM 0 HB3 TYR A 493 4.104 16.496 -6.274 1.00 0.00 H new ATOM 0 HD1 TYR A 493 6.550 16.674 -7.218 1.00 0.00 H new ATOM 0 HD2 TYR A 493 3.735 13.636 -8.403 1.00 0.00 H new ATOM 0 HE1 TYR A 493 7.914 16.201 -9.243 1.00 0.00 H new ATOM 0 HE2 TYR A 493 5.094 13.155 -10.428 1.00 0.00 H new ATOM 0 HH TYR A 493 6.937 13.673 -11.601 1.00 0.00 H new ATOM 1088 N ALA A 494 3.934 13.916 -3.066 1.00 0.00 N ATOM 1089 CA ALA A 494 3.253 13.912 -1.769 1.00 0.00 C ATOM 1090 C ALA A 494 3.904 14.863 -0.741 1.00 0.00 C ATOM 1091 O ALA A 494 5.062 15.274 -0.875 1.00 0.00 O ATOM 1092 CB ALA A 494 3.244 12.473 -1.231 1.00 0.00 C ATOM 0 H ALA A 494 4.347 13.013 -3.301 1.00 0.00 H new ATOM 0 HA ALA A 494 2.238 14.279 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 494 2.741 12.449 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 494 2.716 11.826 -1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 494 4.269 12.122 -1.115 1.00 0.00 H new ATOM 1098 N GLU A 495 3.168 15.158 0.334 1.00 0.00 N ATOM 1099 CA GLU A 495 3.606 16.012 1.455 1.00 0.00 C ATOM 1100 C GLU A 495 3.309 15.393 2.841 1.00 0.00 C ATOM 1101 O GLU A 495 3.855 15.836 3.856 1.00 0.00 O ATOM 1102 CB GLU A 495 2.944 17.393 1.276 1.00 0.00 C ATOM 1103 CG GLU A 495 3.521 18.492 2.178 1.00 0.00 C ATOM 1104 CD GLU A 495 2.954 19.873 1.796 1.00 0.00 C ATOM 1105 OE1 GLU A 495 1.856 20.243 2.283 1.00 0.00 O ATOM 1106 OE2 GLU A 495 3.603 20.609 1.011 1.00 0.00 O ATOM 0 H GLU A 495 2.221 14.801 0.457 1.00 0.00 H new ATOM 0 HA GLU A 495 4.691 16.110 1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 495 3.049 17.701 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 495 1.876 17.300 1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 495 3.286 18.274 3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 495 4.608 18.505 2.093 1.00 0.00 H new ATOM 1113 N SER A 496 2.478 14.343 2.898 1.00 0.00 N ATOM 1114 CA SER A 496 1.931 13.760 4.138 1.00 0.00 C ATOM 1115 C SER A 496 1.733 12.233 4.098 1.00 0.00 C ATOM 1116 O SER A 496 1.161 11.657 5.026 1.00 0.00 O ATOM 1117 CB SER A 496 0.605 14.464 4.454 1.00 0.00 C ATOM 1118 OG SER A 496 -0.315 14.334 3.378 1.00 0.00 O ATOM 0 H SER A 496 2.156 13.859 2.060 1.00 0.00 H new ATOM 0 HA SER A 496 2.670 13.923 4.923 1.00 0.00 H new ATOM 0 HB2 SER A 496 0.172 14.040 5.360 1.00 0.00 H new ATOM 0 HB3 SER A 496 0.789 15.520 4.653 1.00 0.00 H new ATOM 0 HG SER A 496 -1.152 14.790 3.606 1.00 0.00 H new ATOM 1124 N TYR A 497 2.207 11.563 3.041 1.00 0.00 N ATOM 1125 CA TYR A 497 2.082 10.115 2.808 1.00 0.00 C ATOM 1126 C TYR A 497 3.169 9.604 1.836 1.00 0.00 C ATOM 1127 O TYR A 497 3.927 10.393 1.261 1.00 0.00 O ATOM 1128 CB TYR A 497 0.673 9.807 2.259 1.00 0.00 C ATOM 1129 CG TYR A 497 0.386 10.396 0.887 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -0.099 11.713 0.761 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.638 9.631 -0.270 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.310 12.275 -0.512 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.442 10.193 -1.546 1.00 0.00 C ATOM 1134 CZ TYR A 497 -0.031 11.517 -1.672 1.00 0.00 C ATOM 1135 OH TYR A 497 -0.207 12.056 -2.910 1.00 0.00 O ATOM 0 H TYR A 497 2.711 12.034 2.290 1.00 0.00 H new ATOM 0 HA TYR A 497 2.225 9.595 3.755 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.545 8.726 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -0.068 10.184 2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -0.310 12.294 1.646 1.00 0.00 H new ATOM 0 HD2 TYR A 497 0.982 8.612 -0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.685 13.284 -0.602 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.654 9.610 -2.430 1.00 0.00 H new ATOM 0 HH TYR A 497 0.034 11.395 -3.592 1.00 0.00 H new ATOM 1145 N ARG A 498 3.223 8.283 1.624 1.00 0.00 N ATOM 1146 CA ARG A 498 4.062 7.594 0.625 1.00 0.00 C ATOM 1147 C ARG A 498 3.343 6.350 0.085 1.00 0.00 C ATOM 1148 O ARG A 498 2.564 5.726 0.807 1.00 0.00 O ATOM 1149 CB ARG A 498 5.413 7.243 1.282 1.00 0.00 C ATOM 1150 CG ARG A 498 6.445 6.661 0.299 1.00 0.00 C ATOM 1151 CD ARG A 498 7.823 6.459 0.947 1.00 0.00 C ATOM 1152 NE ARG A 498 8.466 7.735 1.328 1.00 0.00 N ATOM 1153 CZ ARG A 498 9.146 8.557 0.547 1.00 0.00 C ATOM 1154 NH1 ARG A 498 9.336 8.323 -0.722 1.00 0.00 N ATOM 1155 NH2 ARG A 498 9.656 9.651 1.034 1.00 0.00 N ATOM 0 H ARG A 498 2.658 7.631 2.168 1.00 0.00 H new ATOM 0 HA ARG A 498 4.246 8.244 -0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 498 5.828 8.140 1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 498 5.242 6.524 2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 498 6.082 5.706 -0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 498 6.544 7.328 -0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 498 7.715 5.832 1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 498 8.471 5.923 0.254 1.00 0.00 H new ATOM 0 HE ARG A 498 8.374 8.013 2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 498 8.953 7.479 -1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 498 9.867 8.984 -1.289 1.00 0.00 H new ATOM 0 HH21 ARG A 498 9.532 9.876 2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 498 10.180 10.283 0.429 1.00 0.00 H new ATOM 1169 N ILE A 499 3.613 5.986 -1.172 1.00 0.00 N ATOM 1170 CA ILE A 499 3.004 4.852 -1.893 1.00 0.00 C ATOM 1171 C ILE A 499 4.101 4.048 -2.611 1.00 0.00 C ATOM 1172 O ILE A 499 5.075 4.613 -3.117 1.00 0.00 O ATOM 1173 CB ILE A 499 1.947 5.358 -2.911 1.00 0.00 C ATOM 1174 CG1 ILE A 499 0.789 6.122 -2.231 1.00 0.00 C ATOM 1175 CG2 ILE A 499 1.373 4.215 -3.764 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -0.128 6.876 -3.201 1.00 0.00 C ATOM 0 H ILE A 499 4.290 6.491 -1.744 1.00 0.00 H new ATOM 0 HA ILE A 499 2.500 4.205 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 499 2.479 6.051 -3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 499 0.189 5.414 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 499 1.208 6.833 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 499 0.638 4.616 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 499 2.179 3.737 -4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 499 0.895 3.481 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -0.913 7.384 -2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 499 0.455 7.611 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.579 6.170 -3.898 1.00 0.00 H new ATOM 1188 N GLN A 500 3.920 2.730 -2.692 1.00 0.00 N ATOM 1189 CA GLN A 500 4.710 1.796 -3.504 1.00 0.00 C ATOM 1190 C GLN A 500 3.839 0.602 -3.949 1.00 0.00 C ATOM 1191 O GLN A 500 2.710 0.453 -3.479 1.00 0.00 O ATOM 1192 CB GLN A 500 5.961 1.369 -2.714 1.00 0.00 C ATOM 1193 CG GLN A 500 5.666 0.532 -1.455 1.00 0.00 C ATOM 1194 CD GLN A 500 6.900 0.310 -0.586 1.00 0.00 C ATOM 1195 OE1 GLN A 500 8.040 0.341 -1.037 1.00 0.00 O ATOM 1196 NE2 GLN A 500 6.726 0.096 0.700 1.00 0.00 N ATOM 0 H GLN A 500 3.183 2.258 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 500 5.051 2.283 -4.418 1.00 0.00 H new ATOM 0 HB2 GLN A 500 6.613 0.795 -3.372 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.512 2.262 -2.420 1.00 0.00 H new ATOM 0 HG2 GLN A 500 4.898 1.031 -0.865 1.00 0.00 H new ATOM 0 HG3 GLN A 500 5.260 -0.434 -1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 500 5.784 0.068 1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.533 -0.041 1.308 1.00 0.00 H new ATOM 1205 N THR A 501 4.317 -0.258 -4.852 1.00 0.00 N ATOM 1206 CA THR A 501 3.600 -1.502 -5.209 1.00 0.00 C ATOM 1207 C THR A 501 3.661 -2.550 -4.086 1.00 0.00 C ATOM 1208 O THR A 501 4.510 -2.483 -3.191 1.00 0.00 O ATOM 1209 CB THR A 501 4.115 -2.127 -6.519 1.00 0.00 C ATOM 1210 OG1 THR A 501 5.391 -2.693 -6.342 1.00 0.00 O ATOM 1211 CG2 THR A 501 4.219 -1.119 -7.661 1.00 0.00 C ATOM 0 H THR A 501 5.195 -0.123 -5.353 1.00 0.00 H new ATOM 0 HA THR A 501 2.562 -1.204 -5.356 1.00 0.00 H new ATOM 0 HB THR A 501 3.380 -2.888 -6.781 1.00 0.00 H new ATOM 0 HG1 THR A 501 5.695 -3.085 -7.187 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.587 -1.620 -8.556 1.00 0.00 H new ATOM 0 HG22 THR A 501 3.236 -0.694 -7.862 1.00 0.00 H new ATOM 0 HG23 THR A 501 4.908 -0.322 -7.381 1.00 0.00 H new ATOM 1219 N TYR A 502 2.801 -3.572 -4.152 1.00 0.00 N ATOM 1220 CA TYR A 502 2.891 -4.753 -3.282 1.00 0.00 C ATOM 1221 C TYR A 502 4.276 -5.431 -3.371 1.00 0.00 C ATOM 1222 O TYR A 502 4.865 -5.799 -2.352 1.00 0.00 O ATOM 1223 CB TYR A 502 1.760 -5.722 -3.667 1.00 0.00 C ATOM 1224 CG TYR A 502 1.594 -6.915 -2.743 1.00 0.00 C ATOM 1225 CD1 TYR A 502 2.396 -8.062 -2.907 1.00 0.00 C ATOM 1226 CD2 TYR A 502 0.611 -6.887 -1.734 1.00 0.00 C ATOM 1227 CE1 TYR A 502 2.230 -9.170 -2.052 1.00 0.00 C ATOM 1228 CE2 TYR A 502 0.437 -7.994 -0.884 1.00 0.00 C ATOM 1229 CZ TYR A 502 1.250 -9.137 -1.036 1.00 0.00 C ATOM 1230 OH TYR A 502 1.072 -10.209 -0.214 1.00 0.00 O ATOM 0 H TYR A 502 2.022 -3.605 -4.810 1.00 0.00 H new ATOM 0 HA TYR A 502 2.775 -4.447 -2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 502 0.821 -5.169 -3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 502 1.943 -6.087 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 502 3.140 -8.092 -3.690 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -0.011 -6.012 -1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 502 2.852 -10.044 -2.174 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -0.320 -7.969 -0.114 1.00 0.00 H new ATOM 0 HH TYR A 502 0.357 -10.014 0.428 1.00 0.00 H new ATOM 1240 N ALA A 503 4.833 -5.549 -4.584 1.00 0.00 N ATOM 1241 CA ALA A 503 6.151 -6.144 -4.823 1.00 0.00 C ATOM 1242 C ALA A 503 7.314 -5.281 -4.289 1.00 0.00 C ATOM 1243 O ALA A 503 8.273 -5.816 -3.729 1.00 0.00 O ATOM 1244 CB ALA A 503 6.299 -6.399 -6.328 1.00 0.00 C ATOM 0 H ALA A 503 4.373 -5.229 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 503 6.209 -7.081 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 503 7.275 -6.842 -6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 503 5.516 -7.080 -6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 503 6.212 -5.456 -6.867 1.00 0.00 H new ATOM 1250 N GLU A 504 7.227 -3.950 -4.406 1.00 0.00 N ATOM 1251 CA GLU A 504 8.196 -3.012 -3.822 1.00 0.00 C ATOM 1252 C GLU A 504 8.250 -3.121 -2.292 1.00 0.00 C ATOM 1253 O GLU A 504 9.343 -3.132 -1.725 1.00 0.00 O ATOM 1254 CB GLU A 504 7.841 -1.571 -4.219 1.00 0.00 C ATOM 1255 CG GLU A 504 8.315 -1.166 -5.620 1.00 0.00 C ATOM 1256 CD GLU A 504 9.821 -0.845 -5.627 1.00 0.00 C ATOM 1257 OE1 GLU A 504 10.209 0.223 -5.089 1.00 0.00 O ATOM 1258 OE2 GLU A 504 10.623 -1.657 -6.150 1.00 0.00 O ATOM 0 H GLU A 504 6.473 -3.488 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 504 9.179 -3.275 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 504 6.759 -1.448 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 504 8.277 -0.888 -3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 504 8.109 -1.973 -6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 504 7.753 -0.296 -5.959 1.00 0.00 H new ATOM 1265 N TYR A 505 7.099 -3.261 -1.623 1.00 0.00 N ATOM 1266 CA TYR A 505 7.051 -3.532 -0.182 1.00 0.00 C ATOM 1267 C TYR A 505 7.740 -4.862 0.174 1.00 0.00 C ATOM 1268 O TYR A 505 8.650 -4.879 1.004 1.00 0.00 O ATOM 1269 CB TYR A 505 5.599 -3.506 0.309 1.00 0.00 C ATOM 1270 CG TYR A 505 5.441 -4.002 1.736 1.00 0.00 C ATOM 1271 CD1 TYR A 505 5.868 -3.200 2.813 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.927 -5.291 1.979 1.00 0.00 C ATOM 1273 CE1 TYR A 505 5.763 -3.677 4.134 1.00 0.00 C ATOM 1274 CE2 TYR A 505 4.825 -5.771 3.299 1.00 0.00 C ATOM 1275 CZ TYR A 505 5.238 -4.965 4.380 1.00 0.00 C ATOM 1276 OH TYR A 505 5.144 -5.441 5.651 1.00 0.00 O ATOM 0 H TYR A 505 6.181 -3.190 -2.062 1.00 0.00 H new ATOM 0 HA TYR A 505 7.606 -2.745 0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 505 5.217 -2.487 0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.988 -4.120 -0.352 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.276 -2.218 2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.611 -5.911 1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 505 6.084 -3.058 4.959 1.00 0.00 H new ATOM 0 HE2 TYR A 505 4.430 -6.759 3.484 1.00 0.00 H new ATOM 0 HH TYR A 505 4.760 -6.342 5.635 1.00 0.00 H new