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 442 HIS : no HD1:sc= 0.288 K(o=1.4,f=-2.1) USER MOD Set 1.2: A 444 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 473 SER OG : rot 180:sc= 0 USER MOD Set 1.4: A 500 GLN : amide:sc= 1.1 K(o=1.4,f=-0.46) USER MOD Single : A 439 HIS : no HD1:sc= 0.0127 K(o=0.013,f=-0.78) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ -145:sc= 1.83 (180deg=0.617) USER MOD Single : A 451 THR OG1 : rot 180:sc= 0.0194 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=-0.02) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 465 GLN : amide:sc= 0.0299 K(o=0.03,f=-4.8!) 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 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 483 GLN : amide:sc= 0.501 K(o=0.5,f=-0.17) USER MOD Single : A 485 GLN : amide:sc= 0.533 K(o=0.53,f=-0.0059) USER MOD Single : A 489 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 490 THR OG1 : rot -79:sc= 0.951 USER MOD Single : A 491 SER OG : rot -69:sc= 0.0177 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= 0.284 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 501 THR OG1 : rot 180:sc= 0.572 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 -2.339 -9.687 -6.916 1.00 0.00 N ATOM 174 CA ARG A 437 -1.726 -8.551 -6.182 1.00 0.00 C ATOM 175 C ARG A 437 -1.184 -7.440 -7.099 1.00 0.00 C ATOM 176 O ARG A 437 -0.754 -6.397 -6.612 1.00 0.00 O ATOM 177 CB ARG A 437 -0.595 -9.072 -5.267 1.00 0.00 C ATOM 178 CG ARG A 437 -0.997 -10.040 -4.139 1.00 0.00 C ATOM 179 CD ARG A 437 -1.799 -9.393 -2.999 1.00 0.00 C ATOM 180 NE ARG A 437 -3.226 -9.258 -3.331 1.00 0.00 N ATOM 181 CZ ARG A 437 -4.198 -8.820 -2.558 1.00 0.00 C ATOM 182 NH1 ARG A 437 -3.994 -8.420 -1.336 1.00 0.00 N ATOM 183 NH2 ARG A 437 -5.409 -8.775 -3.029 1.00 0.00 N ATOM 0 HA ARG A 437 -2.523 -8.100 -5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 437 0.145 -9.571 -5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 437 -0.102 -8.211 -4.815 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -1.587 -10.851 -4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 437 -0.094 -10.488 -3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 437 -1.693 -9.994 -2.096 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -1.384 -8.409 -2.778 1.00 0.00 H new ATOM 0 HE ARG A 437 -3.495 -9.538 -4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 437 -3.053 -8.439 -0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 437 -4.776 -8.088 -0.771 1.00 0.00 H new ATOM 0 HH21 ARG A 437 -5.596 -9.077 -3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -6.172 -8.438 -2.442 1.00 0.00 H new ATOM 197 N ASP A 438 -1.214 -7.627 -8.420 1.00 0.00 N ATOM 198 CA ASP A 438 -0.669 -6.674 -9.406 1.00 0.00 C ATOM 199 C ASP A 438 -1.422 -5.324 -9.447 1.00 0.00 C ATOM 200 O ASP A 438 -0.862 -4.304 -9.854 1.00 0.00 O ATOM 201 CB ASP A 438 -0.672 -7.355 -10.782 1.00 0.00 C ATOM 202 CG ASP A 438 0.153 -6.590 -11.830 1.00 0.00 C ATOM 203 OD1 ASP A 438 1.368 -6.370 -11.605 1.00 0.00 O ATOM 204 OD2 ASP A 438 -0.395 -6.256 -12.908 1.00 0.00 O ATOM 0 H ASP A 438 -1.623 -8.457 -8.848 1.00 0.00 H new ATOM 0 HA ASP A 438 0.347 -6.418 -9.105 1.00 0.00 H new ATOM 0 HB2 ASP A 438 -0.276 -8.366 -10.682 1.00 0.00 H new ATOM 0 HB3 ASP A 438 -1.700 -7.448 -11.133 1.00 0.00 H new ATOM 209 N HIS A 439 -2.675 -5.302 -8.981 1.00 0.00 N ATOM 210 CA HIS A 439 -3.541 -4.117 -8.856 1.00 0.00 C ATOM 211 C HIS A 439 -3.507 -3.469 -7.454 1.00 0.00 C ATOM 212 O HIS A 439 -4.359 -2.635 -7.137 1.00 0.00 O ATOM 213 CB HIS A 439 -4.970 -4.524 -9.250 1.00 0.00 C ATOM 214 CG HIS A 439 -5.584 -5.540 -8.314 1.00 0.00 C ATOM 215 ND1 HIS A 439 -5.377 -6.922 -8.367 1.00 0.00 N ATOM 216 CD2 HIS A 439 -6.406 -5.256 -7.264 1.00 0.00 C ATOM 217 CE1 HIS A 439 -6.097 -7.437 -7.355 1.00 0.00 C ATOM 218 NE2 HIS A 439 -6.718 -6.459 -6.673 1.00 0.00 N ATOM 0 H HIS A 439 -3.140 -6.153 -8.663 1.00 0.00 H new ATOM 0 HA HIS A 439 -3.162 -3.347 -9.527 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.600 -3.635 -9.273 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.958 -4.932 -10.261 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -6.746 -4.278 -6.956 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -6.167 -8.489 -7.122 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -7.317 -6.587 -5.858 1.00 0.00 H new ATOM 226 N VAL A 440 -2.545 -3.844 -6.603 1.00 0.00 N ATOM 227 CA VAL A 440 -2.506 -3.478 -5.176 1.00 0.00 C ATOM 228 C VAL A 440 -1.278 -2.623 -4.853 1.00 0.00 C ATOM 229 O VAL A 440 -0.147 -2.926 -5.244 1.00 0.00 O ATOM 230 CB VAL A 440 -2.562 -4.733 -4.277 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.659 -4.382 -2.784 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.778 -5.604 -4.624 1.00 0.00 C ATOM 0 H VAL A 440 -1.755 -4.422 -6.889 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.391 -2.877 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.632 -5.271 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.695 -5.299 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.787 -3.797 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.563 -3.800 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -3.794 -6.481 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.692 -5.028 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.713 -5.922 -5.664 1.00 0.00 H new ATOM 242 N LEU A 441 -1.520 -1.551 -4.102 1.00 0.00 N ATOM 243 CA LEU A 441 -0.527 -0.635 -3.546 1.00 0.00 C ATOM 244 C LEU A 441 -0.288 -0.912 -2.057 1.00 0.00 C ATOM 245 O LEU A 441 -1.107 -1.531 -1.379 1.00 0.00 O ATOM 246 CB LEU A 441 -1.055 0.809 -3.682 1.00 0.00 C ATOM 247 CG LEU A 441 -1.253 1.310 -5.120 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.974 2.653 -5.085 1.00 0.00 C ATOM 249 CD2 LEU A 441 0.087 1.502 -5.827 1.00 0.00 C ATOM 0 H LEU A 441 -2.471 -1.283 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 441 0.408 -0.773 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -2.008 0.879 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -0.361 1.480 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 441 -1.836 0.566 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -2.118 3.015 -6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.944 2.533 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -1.376 3.372 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -0.085 1.857 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 441 0.684 2.234 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 441 0.620 0.552 -5.860 1.00 0.00 H new ATOM 261 N HIS A 442 0.801 -0.355 -1.543 1.00 0.00 N ATOM 262 CA HIS A 442 1.148 -0.235 -0.130 1.00 0.00 C ATOM 263 C HIS A 442 1.383 1.252 0.158 1.00 0.00 C ATOM 264 O HIS A 442 1.984 1.964 -0.653 1.00 0.00 O ATOM 265 CB HIS A 442 2.394 -1.071 0.182 1.00 0.00 C ATOM 266 CG HIS A 442 2.926 -0.806 1.569 1.00 0.00 C ATOM 267 ND1 HIS A 442 3.912 0.132 1.888 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.432 -1.338 2.723 1.00 0.00 C ATOM 269 CE1 HIS A 442 3.985 0.149 3.231 1.00 0.00 C ATOM 270 NE2 HIS A 442 3.118 -0.733 3.754 1.00 0.00 N ATOM 0 H HIS A 442 1.517 0.054 -2.144 1.00 0.00 H new ATOM 0 HA HIS A 442 0.346 -0.612 0.504 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.153 -2.129 0.083 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.170 -0.851 -0.551 1.00 0.00 H new ATOM 0 HD2 HIS A 442 1.657 -2.085 2.812 1.00 0.00 H new ATOM 0 HE1 HIS A 442 4.646 0.781 3.806 1.00 0.00 H new ATOM 0 HE2 HIS A 442 2.989 -0.923 4.748 1.00 0.00 H new ATOM 278 N VAL A 443 0.883 1.726 1.297 1.00 0.00 N ATOM 279 CA VAL A 443 0.807 3.150 1.648 1.00 0.00 C ATOM 280 C VAL A 443 1.264 3.341 3.091 1.00 0.00 C ATOM 281 O VAL A 443 0.880 2.565 3.969 1.00 0.00 O ATOM 282 CB VAL A 443 -0.635 3.683 1.486 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.683 5.217 1.511 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.295 3.240 0.175 1.00 0.00 C ATOM 0 H VAL A 443 0.508 1.117 2.024 1.00 0.00 H new ATOM 0 HA VAL A 443 1.457 3.709 0.975 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.178 3.262 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -1.714 5.551 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.290 5.578 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -0.079 5.613 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.305 3.646 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -0.711 3.607 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.339 2.151 0.140 1.00 0.00 H new ATOM 294 N THR A 444 2.043 4.393 3.343 1.00 0.00 N ATOM 295 CA THR A 444 2.632 4.720 4.654 1.00 0.00 C ATOM 296 C THR A 444 2.283 6.161 5.025 1.00 0.00 C ATOM 297 O THR A 444 2.351 7.053 4.175 1.00 0.00 O ATOM 298 CB THR A 444 4.162 4.543 4.632 1.00 0.00 C ATOM 299 OG1 THR A 444 4.529 3.317 4.034 1.00 0.00 O ATOM 300 CG2 THR A 444 4.763 4.520 6.036 1.00 0.00 C ATOM 0 H THR A 444 2.293 5.067 2.620 1.00 0.00 H new ATOM 0 HA THR A 444 2.221 4.038 5.398 1.00 0.00 H new ATOM 0 HB THR A 444 4.539 5.395 4.066 1.00 0.00 H new ATOM 0 HG1 THR A 444 5.505 3.233 4.033 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.843 4.393 5.967 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.539 5.459 6.543 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.336 3.692 6.601 1.00 0.00 H new ATOM 308 N PHE A 445 1.888 6.396 6.279 1.00 0.00 N ATOM 309 CA PHE A 445 1.298 7.663 6.734 1.00 0.00 C ATOM 310 C PHE A 445 1.386 7.859 8.268 1.00 0.00 C ATOM 311 O PHE A 445 1.524 6.878 9.008 1.00 0.00 O ATOM 312 CB PHE A 445 -0.183 7.677 6.293 1.00 0.00 C ATOM 313 CG PHE A 445 -0.931 6.360 6.480 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.230 5.884 7.771 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.269 5.570 5.362 1.00 0.00 C ATOM 316 CE1 PHE A 445 -1.823 4.623 7.945 1.00 0.00 C ATOM 317 CE2 PHE A 445 -1.872 4.310 5.534 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.144 3.835 6.827 1.00 0.00 C ATOM 0 H PHE A 445 1.970 5.701 7.021 1.00 0.00 H new ATOM 0 HA PHE A 445 1.862 8.482 6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -0.704 8.454 6.852 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -0.229 7.956 5.240 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.002 6.493 8.633 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -1.064 5.935 4.366 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.033 4.258 8.940 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.125 3.709 4.673 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.599 2.865 6.962 1.00 0.00 H new ATOM 328 N PRO A 446 1.292 9.105 8.781 1.00 0.00 N ATOM 329 CA PRO A 446 1.092 9.379 10.207 1.00 0.00 C ATOM 330 C PRO A 446 -0.194 8.715 10.730 1.00 0.00 C ATOM 331 O PRO A 446 -1.194 8.652 10.011 1.00 0.00 O ATOM 332 CB PRO A 446 0.993 10.906 10.332 1.00 0.00 C ATOM 333 CG PRO A 446 1.687 11.427 9.077 1.00 0.00 C ATOM 334 CD PRO A 446 1.386 10.351 8.039 1.00 0.00 C ATOM 0 HA PRO A 446 1.913 8.975 10.800 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -0.045 11.236 10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 446 1.483 11.265 11.237 1.00 0.00 H new ATOM 0 HG2 PRO A 446 1.296 12.398 8.775 1.00 0.00 H new ATOM 0 HG3 PRO A 446 2.759 11.549 9.231 1.00 0.00 H new ATOM 0 HD2 PRO A 446 0.456 10.564 7.512 1.00 0.00 H new ATOM 0 HD3 PRO A 446 2.174 10.301 7.287 1.00 0.00 H new ATOM 342 N LYS A 447 -0.207 8.268 11.992 1.00 0.00 N ATOM 343 CA LYS A 447 -1.342 7.532 12.597 1.00 0.00 C ATOM 344 C LYS A 447 -2.696 8.260 12.586 1.00 0.00 C ATOM 345 O LYS A 447 -3.741 7.612 12.667 1.00 0.00 O ATOM 346 CB LYS A 447 -0.975 7.056 14.013 1.00 0.00 C ATOM 347 CG LYS A 447 -0.730 8.197 15.019 1.00 0.00 C ATOM 348 CD LYS A 447 -0.335 7.668 16.405 1.00 0.00 C ATOM 349 CE LYS A 447 -1.505 6.963 17.105 1.00 0.00 C ATOM 350 NZ LYS A 447 -1.067 6.302 18.360 1.00 0.00 N ATOM 0 H LYS A 447 0.574 8.405 12.634 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.502 6.675 11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.776 6.420 14.390 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.079 6.438 13.956 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.058 8.849 14.642 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.632 8.803 15.106 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.499 6.973 16.304 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.012 8.495 17.024 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -2.288 7.688 17.328 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -1.939 6.222 16.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -1.881 5.835 18.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -0.338 5.593 18.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.675 7.014 19.009 1.00 0.00 H new ATOM 364 N GLU A 448 -2.690 9.587 12.460 1.00 0.00 N ATOM 365 CA GLU A 448 -3.873 10.436 12.307 1.00 0.00 C ATOM 366 C GLU A 448 -4.688 10.153 11.024 1.00 0.00 C ATOM 367 O GLU A 448 -5.886 10.450 10.975 1.00 0.00 O ATOM 368 CB GLU A 448 -3.386 11.896 12.347 1.00 0.00 C ATOM 369 CG GLU A 448 -4.510 12.861 12.713 1.00 0.00 C ATOM 370 CD GLU A 448 -3.985 14.302 12.864 1.00 0.00 C ATOM 371 OE1 GLU A 448 -3.946 15.049 11.856 1.00 0.00 O ATOM 372 OE2 GLU A 448 -3.616 14.704 13.995 1.00 0.00 O ATOM 0 H GLU A 448 -1.823 10.124 12.462 1.00 0.00 H new ATOM 0 HA GLU A 448 -4.567 10.221 13.120 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.577 11.989 13.072 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -2.976 12.169 11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -5.282 12.832 11.944 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -4.977 12.542 13.645 1.00 0.00 H new ATOM 379 N TRP A 449 -4.068 9.559 9.993 1.00 0.00 N ATOM 380 CA TRP A 449 -4.750 9.111 8.772 1.00 0.00 C ATOM 381 C TRP A 449 -5.792 8.013 9.033 1.00 0.00 C ATOM 382 O TRP A 449 -5.651 7.173 9.932 1.00 0.00 O ATOM 383 CB TRP A 449 -3.734 8.635 7.725 1.00 0.00 C ATOM 384 CG TRP A 449 -3.147 9.710 6.860 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.368 10.738 7.269 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.299 9.878 5.415 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.039 11.535 6.187 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.618 11.069 5.024 1.00 0.00 C ATOM 389 CE3 TRP A 449 -3.957 9.149 4.398 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.632 11.538 3.703 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -3.962 9.605 3.066 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.311 10.801 2.718 1.00 0.00 C ATOM 0 H TRP A 449 -3.065 9.374 9.985 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.289 9.977 8.388 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -2.921 8.123 8.240 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.218 7.900 7.082 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -2.051 10.910 8.287 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -1.444 12.362 6.242 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -4.464 8.228 4.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -2.126 12.457 3.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -4.470 9.031 2.305 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.333 11.152 1.697 1.00 0.00 H new ATOM 403 N LYS A 450 -6.838 8.020 8.200 1.00 0.00 N ATOM 404 CA LYS A 450 -8.046 7.186 8.306 1.00 0.00 C ATOM 405 C LYS A 450 -8.399 6.542 6.963 1.00 0.00 C ATOM 406 O LYS A 450 -7.943 6.997 5.913 1.00 0.00 O ATOM 407 CB LYS A 450 -9.206 8.042 8.832 1.00 0.00 C ATOM 408 CG LYS A 450 -8.938 8.342 10.311 1.00 0.00 C ATOM 409 CD LYS A 450 -9.871 9.366 10.932 1.00 0.00 C ATOM 410 CE LYS A 450 -9.861 10.773 10.305 1.00 0.00 C ATOM 411 NZ LYS A 450 -8.495 11.289 10.023 1.00 0.00 N ATOM 0 H LYS A 450 -6.869 8.639 7.390 1.00 0.00 H new ATOM 0 HA LYS A 450 -7.855 6.373 9.007 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -9.285 8.968 8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -10.153 7.515 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -9.014 7.413 10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -7.912 8.695 10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -10.888 8.977 10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -9.619 9.461 11.988 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -10.431 10.752 9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -10.370 11.465 10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -8.473 12.317 10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -7.812 10.827 10.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -8.244 11.085 9.035 1.00 0.00 H new ATOM 425 N THR A 451 -9.289 5.551 6.973 1.00 0.00 N ATOM 426 CA THR A 451 -9.903 4.967 5.761 1.00 0.00 C ATOM 427 C THR A 451 -10.529 6.043 4.863 1.00 0.00 C ATOM 428 O THR A 451 -10.464 5.948 3.639 1.00 0.00 O ATOM 429 CB THR A 451 -10.979 3.939 6.148 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.523 3.095 7.185 1.00 0.00 O ATOM 431 CG2 THR A 451 -11.383 3.029 4.991 1.00 0.00 C ATOM 0 H THR A 451 -9.616 5.117 7.836 1.00 0.00 H new ATOM 0 HA THR A 451 -9.107 4.476 5.202 1.00 0.00 H new ATOM 0 HB THR A 451 -11.837 4.534 6.460 1.00 0.00 H new ATOM 0 HG1 THR A 451 -11.225 2.451 7.415 1.00 0.00 H new ATOM 0 HG21 THR A 451 -12.145 2.327 5.329 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.782 3.632 4.176 1.00 0.00 H new ATOM 0 HG23 THR A 451 -10.511 2.477 4.641 1.00 0.00 H new ATOM 439 N SER A 452 -11.073 7.111 5.459 1.00 0.00 N ATOM 440 CA SER A 452 -11.580 8.292 4.748 1.00 0.00 C ATOM 441 C SER A 452 -10.491 9.107 4.042 1.00 0.00 C ATOM 442 O SER A 452 -10.655 9.468 2.877 1.00 0.00 O ATOM 443 CB SER A 452 -12.282 9.226 5.731 1.00 0.00 C ATOM 444 OG SER A 452 -13.446 8.609 6.262 1.00 0.00 O ATOM 0 H SER A 452 -11.175 7.180 6.471 1.00 0.00 H new ATOM 0 HA SER A 452 -12.259 7.905 3.988 1.00 0.00 H new ATOM 0 HB2 SER A 452 -11.601 9.489 6.541 1.00 0.00 H new ATOM 0 HB3 SER A 452 -12.553 10.155 5.229 1.00 0.00 H new ATOM 0 HG SER A 452 -13.882 9.221 6.891 1.00 0.00 H new ATOM 450 N ASP A 453 -9.364 9.386 4.709 1.00 0.00 N ATOM 451 CA ASP A 453 -8.222 10.086 4.093 1.00 0.00 C ATOM 452 C ASP A 453 -7.620 9.259 2.947 1.00 0.00 C ATOM 453 O ASP A 453 -7.211 9.802 1.920 1.00 0.00 O ATOM 454 CB ASP A 453 -7.131 10.381 5.132 1.00 0.00 C ATOM 455 CG ASP A 453 -7.620 11.252 6.294 1.00 0.00 C ATOM 456 OD1 ASP A 453 -8.014 12.421 6.066 1.00 0.00 O ATOM 457 OD2 ASP A 453 -7.601 10.758 7.446 1.00 0.00 O ATOM 0 H ASP A 453 -9.215 9.136 5.687 1.00 0.00 H new ATOM 0 HA ASP A 453 -8.598 11.028 3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -6.752 9.439 5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.296 10.879 4.640 1.00 0.00 H new ATOM 462 N LEU A 454 -7.636 7.931 3.099 1.00 0.00 N ATOM 463 CA LEU A 454 -7.226 6.977 2.064 1.00 0.00 C ATOM 464 C LEU A 454 -8.198 6.994 0.873 1.00 0.00 C ATOM 465 O LEU A 454 -7.762 7.074 -0.276 1.00 0.00 O ATOM 466 CB LEU A 454 -7.095 5.574 2.689 1.00 0.00 C ATOM 467 CG LEU A 454 -5.868 5.405 3.606 1.00 0.00 C ATOM 468 CD1 LEU A 454 -5.963 4.074 4.353 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.551 5.413 2.824 1.00 0.00 C ATOM 0 H LEU A 454 -7.940 7.480 3.962 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.253 7.269 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -7.996 5.358 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -7.042 4.835 1.889 1.00 0.00 H new ATOM 0 HG LEU A 454 -5.870 6.249 4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -5.094 3.957 5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -6.870 4.060 4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -5.993 3.255 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -3.717 5.291 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.550 4.594 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.448 6.360 2.295 1.00 0.00 H new ATOM 481 N TYR A 455 -9.511 7.017 1.116 1.00 0.00 N ATOM 482 CA TYR A 455 -10.505 7.235 0.059 1.00 0.00 C ATOM 483 C TYR A 455 -10.302 8.571 -0.673 1.00 0.00 C ATOM 484 O TYR A 455 -10.336 8.594 -1.900 1.00 0.00 O ATOM 485 CB TYR A 455 -11.936 7.094 0.607 1.00 0.00 C ATOM 486 CG TYR A 455 -12.630 5.850 0.089 1.00 0.00 C ATOM 487 CD1 TYR A 455 -12.524 4.633 0.789 1.00 0.00 C ATOM 488 CD2 TYR A 455 -13.338 5.902 -1.128 1.00 0.00 C ATOM 489 CE1 TYR A 455 -13.127 3.466 0.276 1.00 0.00 C ATOM 490 CE2 TYR A 455 -13.944 4.741 -1.644 1.00 0.00 C ATOM 491 CZ TYR A 455 -13.838 3.519 -0.945 1.00 0.00 C ATOM 492 OH TYR A 455 -14.411 2.400 -1.466 1.00 0.00 O ATOM 0 H TYR A 455 -9.914 6.886 2.044 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.356 6.454 -0.686 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -11.904 7.063 1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -12.517 7.974 0.330 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -11.980 4.593 1.721 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -13.416 6.835 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -13.046 2.534 0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -14.490 4.785 -2.575 1.00 0.00 H new ATOM 0 HH TYR A 455 -14.859 2.624 -2.309 1.00 0.00 H new ATOM 502 N GLN A 456 -10.004 9.663 0.036 1.00 0.00 N ATOM 503 CA GLN A 456 -9.688 10.961 -0.563 1.00 0.00 C ATOM 504 C GLN A 456 -8.385 10.947 -1.393 1.00 0.00 C ATOM 505 O GLN A 456 -8.280 11.681 -2.380 1.00 0.00 O ATOM 506 CB GLN A 456 -9.629 12.010 0.562 1.00 0.00 C ATOM 507 CG GLN A 456 -10.919 12.834 0.703 1.00 0.00 C ATOM 508 CD GLN A 456 -12.130 12.021 1.173 1.00 0.00 C ATOM 509 OE1 GLN A 456 -12.762 11.290 0.419 1.00 0.00 O ATOM 510 NE2 GLN A 456 -12.530 12.145 2.422 1.00 0.00 N ATOM 0 H GLN A 456 -9.975 9.670 1.056 1.00 0.00 H new ATOM 0 HA GLN A 456 -10.474 11.214 -1.275 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -9.424 11.506 1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.795 12.686 0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -10.744 13.646 1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -11.153 13.292 -0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -12.017 12.749 3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -13.353 11.637 2.747 1.00 0.00 H new ATOM 519 N LEU A 457 -7.405 10.110 -1.033 1.00 0.00 N ATOM 520 CA LEU A 457 -6.150 9.927 -1.776 1.00 0.00 C ATOM 521 C LEU A 457 -6.324 9.110 -3.076 1.00 0.00 C ATOM 522 O LEU A 457 -5.602 9.361 -4.045 1.00 0.00 O ATOM 523 CB LEU A 457 -5.115 9.292 -0.822 1.00 0.00 C ATOM 524 CG LEU A 457 -3.720 9.023 -1.422 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.060 10.283 -1.983 1.00 0.00 C ATOM 526 CD2 LEU A 457 -2.791 8.453 -0.348 1.00 0.00 C ATOM 0 H LEU A 457 -7.463 9.527 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 457 -5.796 10.901 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -4.997 9.946 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.519 8.349 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.871 8.317 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.081 10.030 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.685 10.701 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -2.942 11.018 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -1.808 8.266 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.698 9.168 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.204 7.519 0.032 1.00 0.00 H new ATOM 538 N PHE A 458 -7.287 8.181 -3.135 1.00 0.00 N ATOM 539 CA PHE A 458 -7.402 7.202 -4.234 1.00 0.00 C ATOM 540 C PHE A 458 -8.736 7.213 -5.011 1.00 0.00 C ATOM 541 O PHE A 458 -8.839 6.532 -6.033 1.00 0.00 O ATOM 542 CB PHE A 458 -7.070 5.802 -3.693 1.00 0.00 C ATOM 543 CG PHE A 458 -5.645 5.640 -3.195 1.00 0.00 C ATOM 544 CD1 PHE A 458 -4.577 5.662 -4.109 1.00 0.00 C ATOM 545 CD2 PHE A 458 -5.378 5.464 -1.824 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.255 5.534 -3.658 1.00 0.00 C ATOM 547 CE2 PHE A 458 -4.055 5.342 -1.371 1.00 0.00 C ATOM 548 CZ PHE A 458 -2.990 5.378 -2.287 1.00 0.00 C ATOM 0 H PHE A 458 -8.011 8.083 -2.423 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.677 7.508 -4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -7.755 5.570 -2.877 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.252 5.070 -4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -4.776 5.778 -5.164 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -6.194 5.423 -1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.439 5.555 -4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -3.855 5.220 -0.317 1.00 0.00 H new ATOM 0 HZ PHE A 458 -1.972 5.286 -1.939 1.00 0.00 H new ATOM 558 N SER A 459 -9.734 8.015 -4.619 1.00 0.00 N ATOM 559 CA SER A 459 -10.999 8.192 -5.366 1.00 0.00 C ATOM 560 C SER A 459 -10.816 8.689 -6.809 1.00 0.00 C ATOM 561 O SER A 459 -11.656 8.415 -7.670 1.00 0.00 O ATOM 562 CB SER A 459 -11.945 9.145 -4.624 1.00 0.00 C ATOM 563 OG SER A 459 -11.358 10.431 -4.475 1.00 0.00 O ATOM 0 H SER A 459 -9.691 8.569 -3.764 1.00 0.00 H new ATOM 0 HA SER A 459 -11.432 7.193 -5.426 1.00 0.00 H new ATOM 0 HB2 SER A 459 -12.884 9.231 -5.172 1.00 0.00 H new ATOM 0 HB3 SER A 459 -12.185 8.735 -3.643 1.00 0.00 H new ATOM 0 HG SER A 459 -11.980 11.021 -4.001 1.00 0.00 H new ATOM 569 N ALA A 460 -9.689 9.350 -7.106 1.00 0.00 N ATOM 570 CA ALA A 460 -9.255 9.738 -8.453 1.00 0.00 C ATOM 571 C ALA A 460 -9.098 8.554 -9.439 1.00 0.00 C ATOM 572 O ALA A 460 -9.038 8.767 -10.654 1.00 0.00 O ATOM 573 CB ALA A 460 -7.941 10.518 -8.316 1.00 0.00 C ATOM 0 H ALA A 460 -9.029 9.640 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 460 -10.039 10.355 -8.892 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -7.593 10.821 -9.304 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -8.106 11.404 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -7.189 9.885 -7.845 1.00 0.00 H new ATOM 579 N PHE A 461 -9.068 7.314 -8.932 1.00 0.00 N ATOM 580 CA PHE A 461 -8.924 6.073 -9.702 1.00 0.00 C ATOM 581 C PHE A 461 -10.213 5.219 -9.733 1.00 0.00 C ATOM 582 O PHE A 461 -10.215 4.124 -10.300 1.00 0.00 O ATOM 583 CB PHE A 461 -7.737 5.289 -9.118 1.00 0.00 C ATOM 584 CG PHE A 461 -6.422 6.053 -9.098 1.00 0.00 C ATOM 585 CD1 PHE A 461 -5.871 6.556 -10.293 1.00 0.00 C ATOM 586 CD2 PHE A 461 -5.754 6.279 -7.880 1.00 0.00 C ATOM 587 CE1 PHE A 461 -4.661 7.271 -10.270 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.544 6.997 -7.856 1.00 0.00 C ATOM 589 CZ PHE A 461 -3.993 7.489 -9.052 1.00 0.00 C ATOM 0 H PHE A 461 -9.147 7.142 -7.930 1.00 0.00 H new ATOM 0 HA PHE A 461 -8.736 6.328 -10.745 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -7.983 4.988 -8.100 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -7.602 4.375 -9.696 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -6.381 6.392 -11.231 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.172 5.900 -6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.244 7.654 -11.190 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.038 7.170 -6.918 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.060 8.033 -9.035 1.00 0.00 H new ATOM 599 N GLY A 462 -11.310 5.701 -9.136 1.00 0.00 N ATOM 600 CA GLY A 462 -12.587 4.981 -9.018 1.00 0.00 C ATOM 601 C GLY A 462 -12.801 4.375 -7.626 1.00 0.00 C ATOM 602 O GLY A 462 -12.201 4.814 -6.639 1.00 0.00 O ATOM 0 H GLY A 462 -11.336 6.627 -8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -13.406 5.664 -9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.622 4.187 -9.764 1.00 0.00 H new ATOM 606 N ASN A 463 -13.670 3.364 -7.537 1.00 0.00 N ATOM 607 CA ASN A 463 -13.832 2.540 -6.332 1.00 0.00 C ATOM 608 C ASN A 463 -12.549 1.746 -5.990 1.00 0.00 C ATOM 609 O ASN A 463 -11.760 1.398 -6.874 1.00 0.00 O ATOM 610 CB ASN A 463 -15.051 1.612 -6.505 1.00 0.00 C ATOM 611 CG ASN A 463 -14.842 0.521 -7.548 1.00 0.00 C ATOM 612 OD1 ASN A 463 -14.754 0.775 -8.743 1.00 0.00 O ATOM 613 ND2 ASN A 463 -14.762 -0.726 -7.140 1.00 0.00 N ATOM 0 H ASN A 463 -14.286 3.091 -8.303 1.00 0.00 H new ATOM 0 HA ASN A 463 -14.010 3.201 -5.483 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -15.283 1.148 -5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -15.917 2.211 -6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -14.627 -1.477 -7.817 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -14.835 -0.943 -6.146 1.00 0.00 H new ATOM 620 N ILE A 464 -12.367 1.433 -4.704 1.00 0.00 N ATOM 621 CA ILE A 464 -11.162 0.795 -4.140 1.00 0.00 C ATOM 622 C ILE A 464 -11.516 -0.187 -3.007 1.00 0.00 C ATOM 623 O ILE A 464 -12.666 -0.265 -2.565 1.00 0.00 O ATOM 624 CB ILE A 464 -10.159 1.869 -3.629 1.00 0.00 C ATOM 625 CG1 ILE A 464 -10.755 2.702 -2.469 1.00 0.00 C ATOM 626 CG2 ILE A 464 -9.652 2.759 -4.778 1.00 0.00 C ATOM 627 CD1 ILE A 464 -9.811 3.766 -1.905 1.00 0.00 C ATOM 0 H ILE A 464 -13.077 1.622 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 464 -10.690 0.225 -4.940 1.00 0.00 H new ATOM 0 HB ILE A 464 -9.293 1.342 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -11.665 3.190 -2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -11.044 2.027 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -8.954 3.498 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -9.147 2.142 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -10.496 3.269 -5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -10.309 4.302 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -8.910 3.287 -1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -9.541 4.468 -2.694 1.00 0.00 H new ATOM 639 N GLN A 465 -10.512 -0.903 -2.499 1.00 0.00 N ATOM 640 CA GLN A 465 -10.579 -1.717 -1.278 1.00 0.00 C ATOM 641 C GLN A 465 -9.308 -1.518 -0.438 1.00 0.00 C ATOM 642 O GLN A 465 -8.249 -1.203 -0.980 1.00 0.00 O ATOM 643 CB GLN A 465 -10.802 -3.203 -1.634 1.00 0.00 C ATOM 644 CG GLN A 465 -12.258 -3.658 -1.425 1.00 0.00 C ATOM 645 CD GLN A 465 -12.716 -3.678 0.039 1.00 0.00 C ATOM 646 OE1 GLN A 465 -12.029 -3.255 0.962 1.00 0.00 O ATOM 647 NE2 GLN A 465 -13.905 -4.172 0.312 1.00 0.00 N ATOM 0 H GLN A 465 -9.593 -0.935 -2.941 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.429 -1.392 -0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -10.521 -3.368 -2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -10.143 -3.820 -1.024 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -12.916 -2.997 -1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -12.376 -4.658 -1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -14.494 -4.530 -0.440 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -14.238 -4.197 1.276 1.00 0.00 H new ATOM 656 N ILE A 466 -9.408 -1.674 0.886 1.00 0.00 N ATOM 657 CA ILE A 466 -8.356 -1.308 1.851 1.00 0.00 C ATOM 658 C ILE A 466 -8.189 -2.416 2.904 1.00 0.00 C ATOM 659 O ILE A 466 -9.165 -2.874 3.506 1.00 0.00 O ATOM 660 CB ILE A 466 -8.675 0.068 2.501 1.00 0.00 C ATOM 661 CG1 ILE A 466 -8.810 1.175 1.421 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.587 0.446 3.529 1.00 0.00 C ATOM 663 CD1 ILE A 466 -9.225 2.560 1.931 1.00 0.00 C ATOM 0 H ILE A 466 -10.238 -2.066 1.330 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.406 -1.210 1.326 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.630 -0.017 3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -7.855 1.270 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.541 0.847 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -7.827 1.412 3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.545 -0.313 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.620 0.506 3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -9.288 3.253 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -10.197 2.492 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -8.485 2.921 2.645 1.00 0.00 H new ATOM 675 N SER A 467 -6.937 -2.822 3.137 1.00 0.00 N ATOM 676 CA SER A 467 -6.532 -3.900 4.047 1.00 0.00 C ATOM 677 C SER A 467 -5.299 -3.469 4.843 1.00 0.00 C ATOM 678 O SER A 467 -4.190 -3.405 4.308 1.00 0.00 O ATOM 679 CB SER A 467 -6.218 -5.166 3.243 1.00 0.00 C ATOM 680 OG SER A 467 -7.405 -5.726 2.700 1.00 0.00 O ATOM 0 H SER A 467 -6.139 -2.387 2.674 1.00 0.00 H new ATOM 0 HA SER A 467 -7.347 -4.111 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 467 -5.522 -4.928 2.439 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.726 -5.897 3.885 1.00 0.00 H new ATOM 0 HG SER A 467 -7.182 -6.532 2.189 1.00 0.00 H new ATOM 686 N TRP A 468 -5.482 -3.109 6.111 1.00 0.00 N ATOM 687 CA TRP A 468 -4.418 -2.557 6.951 1.00 0.00 C ATOM 688 C TRP A 468 -3.419 -3.624 7.427 1.00 0.00 C ATOM 689 O TRP A 468 -3.731 -4.818 7.475 1.00 0.00 O ATOM 690 CB TRP A 468 -5.035 -1.867 8.163 1.00 0.00 C ATOM 691 CG TRP A 468 -5.983 -0.731 7.908 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.269 -0.846 7.508 1.00 0.00 C ATOM 693 CD2 TRP A 468 -5.772 0.696 8.125 1.00 0.00 C ATOM 694 NE1 TRP A 468 -7.832 0.408 7.359 1.00 0.00 N ATOM 695 CE2 TRP A 468 -6.948 1.399 7.723 1.00 0.00 C ATOM 696 CE3 TRP A 468 -4.721 1.466 8.662 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -7.045 2.796 7.778 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -4.820 2.868 8.746 1.00 0.00 C ATOM 699 CH2 TRP A 468 -5.964 3.538 8.279 1.00 0.00 C ATOM 0 H TRP A 468 -6.379 -3.192 6.590 1.00 0.00 H new ATOM 0 HA TRP A 468 -3.863 -1.845 6.340 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -5.563 -2.621 8.746 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -4.223 -1.493 8.787 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -7.781 -1.780 7.331 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -8.780 0.577 7.023 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -3.827 0.974 9.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -7.941 3.296 7.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -4.007 3.435 9.174 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -6.011 4.617 8.305 1.00 0.00 H new ATOM 710 N ILE A 469 -2.229 -3.172 7.839 1.00 0.00 N ATOM 711 CA ILE A 469 -1.165 -4.011 8.417 1.00 0.00 C ATOM 712 C ILE A 469 -0.506 -3.400 9.664 1.00 0.00 C ATOM 713 O ILE A 469 0.091 -4.129 10.459 1.00 0.00 O ATOM 714 CB ILE A 469 -0.100 -4.351 7.356 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.476 -3.107 6.644 1.00 0.00 C ATOM 716 CG2 ILE A 469 -0.671 -5.353 6.344 1.00 0.00 C ATOM 717 CD1 ILE A 469 1.681 -3.426 5.757 1.00 0.00 C ATOM 0 H ILE A 469 -1.970 -2.187 7.779 1.00 0.00 H new ATOM 0 HA ILE A 469 -1.653 -4.928 8.748 1.00 0.00 H new ATOM 0 HB ILE A 469 0.740 -4.805 7.882 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -0.305 -2.650 6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 469 0.768 -2.371 7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 469 0.087 -5.588 5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -0.966 -6.266 6.862 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -1.541 -4.918 5.852 1.00 0.00 H new ATOM 0 HD11 ILE A 469 2.038 -2.510 5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 469 2.477 -3.856 6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 469 1.387 -4.140 4.987 1.00 0.00 H new ATOM 729 N ASP A 470 -0.642 -2.089 9.880 1.00 0.00 N ATOM 730 CA ASP A 470 -0.203 -1.393 11.097 1.00 0.00 C ATOM 731 C ASP A 470 -1.059 -0.139 11.379 1.00 0.00 C ATOM 732 O ASP A 470 -1.945 0.232 10.608 1.00 0.00 O ATOM 733 CB ASP A 470 1.293 -1.024 10.973 1.00 0.00 C ATOM 734 CG ASP A 470 2.069 -1.176 12.296 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.603 -0.670 13.345 1.00 0.00 O ATOM 736 OD2 ASP A 470 3.157 -1.801 12.294 1.00 0.00 O ATOM 0 H ASP A 470 -1.071 -1.464 9.197 1.00 0.00 H new ATOM 0 HA ASP A 470 -0.337 -2.066 11.944 1.00 0.00 H new ATOM 0 HB2 ASP A 470 1.754 -1.656 10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.379 0.006 10.626 1.00 0.00 H new ATOM 741 N ASP A 471 -0.753 0.552 12.473 1.00 0.00 N ATOM 742 CA ASP A 471 -1.300 1.871 12.834 1.00 0.00 C ATOM 743 C ASP A 471 -0.804 3.008 11.906 1.00 0.00 C ATOM 744 O ASP A 471 -1.324 4.121 11.946 1.00 0.00 O ATOM 745 CB ASP A 471 -0.924 2.139 14.301 1.00 0.00 C ATOM 746 CG ASP A 471 -1.581 3.388 14.912 1.00 0.00 C ATOM 747 OD1 ASP A 471 -2.780 3.647 14.646 1.00 0.00 O ATOM 748 OD2 ASP A 471 -0.915 4.069 15.728 1.00 0.00 O ATOM 0 H ASP A 471 -0.091 0.201 13.165 1.00 0.00 H new ATOM 0 HA ASP A 471 -2.382 1.856 12.707 1.00 0.00 H new ATOM 0 HB2 ASP A 471 -1.201 1.270 14.898 1.00 0.00 H new ATOM 0 HB3 ASP A 471 0.159 2.243 14.372 1.00 0.00 H new ATOM 753 N THR A 472 0.197 2.735 11.059 1.00 0.00 N ATOM 754 CA THR A 472 0.901 3.716 10.206 1.00 0.00 C ATOM 755 C THR A 472 1.123 3.240 8.761 1.00 0.00 C ATOM 756 O THR A 472 1.733 3.958 7.964 1.00 0.00 O ATOM 757 CB THR A 472 2.255 4.102 10.828 1.00 0.00 C ATOM 758 OG1 THR A 472 3.011 2.936 11.100 1.00 0.00 O ATOM 759 CG2 THR A 472 2.098 4.879 12.138 1.00 0.00 C ATOM 0 H THR A 472 0.557 1.788 10.941 1.00 0.00 H new ATOM 0 HA THR A 472 0.243 4.584 10.156 1.00 0.00 H new ATOM 0 HB THR A 472 2.760 4.740 10.103 1.00 0.00 H new ATOM 0 HG1 THR A 472 3.872 3.189 11.494 1.00 0.00 H new ATOM 0 HG21 THR A 472 3.083 5.126 12.534 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.541 5.797 11.952 1.00 0.00 H new ATOM 0 HG23 THR A 472 1.559 4.267 12.861 1.00 0.00 H new ATOM 767 N SER A 473 0.622 2.055 8.382 1.00 0.00 N ATOM 768 CA SER A 473 0.609 1.606 6.981 1.00 0.00 C ATOM 769 C SER A 473 -0.481 0.575 6.654 1.00 0.00 C ATOM 770 O SER A 473 -0.977 -0.153 7.524 1.00 0.00 O ATOM 771 CB SER A 473 1.987 1.078 6.556 1.00 0.00 C ATOM 772 OG SER A 473 2.361 -0.099 7.249 1.00 0.00 O ATOM 0 H SER A 473 0.216 1.384 9.034 1.00 0.00 H new ATOM 0 HA SER A 473 0.363 2.496 6.401 1.00 0.00 H new ATOM 0 HB2 SER A 473 1.979 0.877 5.485 1.00 0.00 H new ATOM 0 HB3 SER A 473 2.736 1.850 6.730 1.00 0.00 H new ATOM 0 HG SER A 473 3.243 -0.394 6.941 1.00 0.00 H new ATOM 778 N ALA A 474 -0.865 0.526 5.376 1.00 0.00 N ATOM 779 CA ALA A 474 -1.935 -0.321 4.849 1.00 0.00 C ATOM 780 C ALA A 474 -1.745 -0.649 3.357 1.00 0.00 C ATOM 781 O ALA A 474 -1.045 0.066 2.635 1.00 0.00 O ATOM 782 CB ALA A 474 -3.268 0.418 5.058 1.00 0.00 C ATOM 0 H ALA A 474 -0.423 1.096 4.655 1.00 0.00 H new ATOM 0 HA ALA A 474 -1.922 -1.272 5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.086 -0.191 4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.420 0.600 6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.244 1.370 4.527 1.00 0.00 H new ATOM 788 N PHE A 475 -2.406 -1.707 2.885 1.00 0.00 N ATOM 789 CA PHE A 475 -2.540 -2.017 1.462 1.00 0.00 C ATOM 790 C PHE A 475 -3.820 -1.389 0.888 1.00 0.00 C ATOM 791 O PHE A 475 -4.839 -1.292 1.582 1.00 0.00 O ATOM 792 CB PHE A 475 -2.575 -3.537 1.237 1.00 0.00 C ATOM 793 CG PHE A 475 -1.312 -4.279 1.628 1.00 0.00 C ATOM 794 CD1 PHE A 475 -0.096 -3.994 0.977 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.359 -5.292 2.605 1.00 0.00 C ATOM 796 CE1 PHE A 475 1.071 -4.702 1.317 1.00 0.00 C ATOM 797 CE2 PHE A 475 -0.197 -6.015 2.927 1.00 0.00 C ATOM 798 CZ PHE A 475 1.019 -5.714 2.291 1.00 0.00 C ATOM 0 H PHE A 475 -2.871 -2.383 3.491 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.674 -1.599 0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.410 -3.952 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.777 -3.727 0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -0.059 -3.230 0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -2.289 -5.514 3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 475 2.006 -4.468 0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.239 -6.803 3.664 1.00 0.00 H new ATOM 0 HZ PHE A 475 1.914 -6.260 2.550 1.00 0.00 H new ATOM 808 N VAL A 476 -3.792 -1.018 -0.397 1.00 0.00 N ATOM 809 CA VAL A 476 -4.929 -0.430 -1.128 1.00 0.00 C ATOM 810 C VAL A 476 -5.050 -1.061 -2.517 1.00 0.00 C ATOM 811 O VAL A 476 -4.198 -0.867 -3.385 1.00 0.00 O ATOM 812 CB VAL A 476 -4.829 1.109 -1.230 1.00 0.00 C ATOM 813 CG1 VAL A 476 -6.061 1.689 -1.940 1.00 0.00 C ATOM 814 CG2 VAL A 476 -4.734 1.769 0.154 1.00 0.00 C ATOM 0 H VAL A 476 -2.958 -1.119 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.832 -0.650 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 476 -3.923 1.321 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.969 2.773 -2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -6.130 1.274 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -6.959 1.432 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.665 2.851 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.622 1.522 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.847 1.403 0.672 1.00 0.00 H new ATOM 824 N SER A 477 -6.116 -1.828 -2.724 1.00 0.00 N ATOM 825 CA SER A 477 -6.507 -2.420 -4.007 1.00 0.00 C ATOM 826 C SER A 477 -7.201 -1.378 -4.892 1.00 0.00 C ATOM 827 O SER A 477 -8.287 -0.900 -4.549 1.00 0.00 O ATOM 828 CB SER A 477 -7.481 -3.579 -3.754 1.00 0.00 C ATOM 829 OG SER A 477 -6.862 -4.606 -2.994 1.00 0.00 O ATOM 0 H SER A 477 -6.762 -2.067 -1.971 1.00 0.00 H new ATOM 0 HA SER A 477 -5.610 -2.779 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 477 -8.361 -3.211 -3.226 1.00 0.00 H new ATOM 0 HB3 SER A 477 -7.826 -3.983 -4.706 1.00 0.00 H new ATOM 0 HG SER A 477 -7.502 -5.333 -2.844 1.00 0.00 H new ATOM 835 N LEU A 478 -6.598 -1.030 -6.032 1.00 0.00 N ATOM 836 CA LEU A 478 -7.245 -0.222 -7.075 1.00 0.00 C ATOM 837 C LEU A 478 -8.125 -1.098 -7.986 1.00 0.00 C ATOM 838 O LEU A 478 -7.977 -2.322 -8.031 1.00 0.00 O ATOM 839 CB LEU A 478 -6.174 0.516 -7.907 1.00 0.00 C ATOM 840 CG LEU A 478 -5.330 1.548 -7.135 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.404 2.255 -8.122 1.00 0.00 C ATOM 842 CD2 LEU A 478 -6.174 2.627 -6.457 1.00 0.00 C ATOM 0 H LEU A 478 -5.642 -1.301 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 478 -7.890 0.513 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.503 -0.224 -8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.668 1.023 -8.735 1.00 0.00 H new ATOM 0 HG LEU A 478 -4.789 1.001 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -3.799 2.990 -7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.751 1.523 -8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -5.000 2.758 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -5.521 3.323 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -6.747 3.167 -7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -6.857 2.162 -5.746 1.00 0.00 H new ATOM 854 N SER A 479 -9.023 -0.474 -8.752 1.00 0.00 N ATOM 855 CA SER A 479 -9.885 -1.167 -9.726 1.00 0.00 C ATOM 856 C SER A 479 -9.130 -1.765 -10.928 1.00 0.00 C ATOM 857 O SER A 479 -9.639 -2.690 -11.567 1.00 0.00 O ATOM 858 CB SER A 479 -10.969 -0.208 -10.229 1.00 0.00 C ATOM 859 OG SER A 479 -10.381 0.902 -10.887 1.00 0.00 O ATOM 0 H SER A 479 -9.177 0.534 -8.717 1.00 0.00 H new ATOM 0 HA SER A 479 -10.323 -2.011 -9.192 1.00 0.00 H new ATOM 0 HB2 SER A 479 -11.638 -0.731 -10.912 1.00 0.00 H new ATOM 0 HB3 SER A 479 -11.575 0.137 -9.391 1.00 0.00 H new ATOM 0 HG SER A 479 -11.085 1.505 -11.204 1.00 0.00 H new ATOM 865 N GLN A 480 -7.923 -1.268 -11.235 1.00 0.00 N ATOM 866 CA GLN A 480 -7.093 -1.686 -12.376 1.00 0.00 C ATOM 867 C GLN A 480 -5.586 -1.585 -12.053 1.00 0.00 C ATOM 868 O GLN A 480 -5.171 -0.621 -11.401 1.00 0.00 O ATOM 869 CB GLN A 480 -7.378 -0.780 -13.595 1.00 0.00 C ATOM 870 CG GLN A 480 -8.812 -0.861 -14.138 1.00 0.00 C ATOM 871 CD GLN A 480 -8.988 0.022 -15.370 1.00 0.00 C ATOM 872 OE1 GLN A 480 -8.764 -0.387 -16.504 1.00 0.00 O ATOM 873 NE2 GLN A 480 -9.380 1.269 -15.204 1.00 0.00 N ATOM 0 H GLN A 480 -7.482 -0.538 -10.676 1.00 0.00 H new ATOM 0 HA GLN A 480 -7.345 -2.724 -12.593 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -7.167 0.253 -13.319 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -6.686 -1.044 -14.395 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -9.050 -1.894 -14.391 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -9.515 -0.553 -13.364 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -9.570 1.623 -14.267 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -9.493 1.880 -16.013 1.00 0.00 H new ATOM 882 N PRO A 481 -4.736 -2.497 -12.572 1.00 0.00 N ATOM 883 CA PRO A 481 -3.277 -2.401 -12.453 1.00 0.00 C ATOM 884 C PRO A 481 -2.666 -1.284 -13.318 1.00 0.00 C ATOM 885 O PRO A 481 -1.556 -0.827 -13.046 1.00 0.00 O ATOM 886 CB PRO A 481 -2.755 -3.780 -12.864 1.00 0.00 C ATOM 887 CG PRO A 481 -3.791 -4.262 -13.877 1.00 0.00 C ATOM 888 CD PRO A 481 -5.099 -3.689 -13.333 1.00 0.00 C ATOM 0 HA PRO A 481 -2.991 -2.133 -11.436 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -1.760 -3.718 -13.305 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -2.684 -4.454 -12.010 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -3.576 -3.894 -14.880 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -3.821 -5.350 -13.936 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -5.782 -3.439 -14.145 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -5.608 -4.415 -12.700 1.00 0.00 H new ATOM 896 N GLU A 482 -3.390 -0.783 -14.323 1.00 0.00 N ATOM 897 CA GLU A 482 -2.983 0.383 -15.127 1.00 0.00 C ATOM 898 C GLU A 482 -2.860 1.672 -14.290 1.00 0.00 C ATOM 899 O GLU A 482 -2.076 2.561 -14.626 1.00 0.00 O ATOM 900 CB GLU A 482 -3.997 0.608 -16.264 1.00 0.00 C ATOM 901 CG GLU A 482 -4.094 -0.552 -17.268 1.00 0.00 C ATOM 902 CD GLU A 482 -2.784 -0.751 -18.057 1.00 0.00 C ATOM 903 OE1 GLU A 482 -2.533 0.005 -19.028 1.00 0.00 O ATOM 904 OE2 GLU A 482 -1.997 -1.670 -17.719 1.00 0.00 O ATOM 0 H GLU A 482 -4.287 -1.177 -14.608 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.995 0.162 -15.532 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -4.981 0.778 -15.828 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -3.725 1.516 -16.802 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -4.339 -1.471 -16.736 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -4.910 -0.360 -17.965 1.00 0.00 H new ATOM 911 N GLN A 483 -3.608 1.767 -13.183 1.00 0.00 N ATOM 912 CA GLN A 483 -3.654 2.946 -12.307 1.00 0.00 C ATOM 913 C GLN A 483 -2.653 2.867 -11.137 1.00 0.00 C ATOM 914 O GLN A 483 -2.281 3.897 -10.573 1.00 0.00 O ATOM 915 CB GLN A 483 -5.097 3.147 -11.814 1.00 0.00 C ATOM 916 CG GLN A 483 -6.056 3.393 -12.997 1.00 0.00 C ATOM 917 CD GLN A 483 -7.466 3.757 -12.547 1.00 0.00 C ATOM 918 OE1 GLN A 483 -7.938 4.870 -12.736 1.00 0.00 O ATOM 919 NE2 GLN A 483 -8.190 2.846 -11.936 1.00 0.00 N ATOM 0 H GLN A 483 -4.212 1.009 -12.864 1.00 0.00 H new ATOM 0 HA GLN A 483 -3.344 3.815 -12.888 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.420 2.268 -11.256 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.136 3.993 -11.128 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -5.660 4.195 -13.620 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -6.097 2.498 -13.618 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -7.807 1.915 -11.773 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -9.135 3.070 -11.625 1.00 0.00 H new ATOM 928 N VAL A 484 -2.143 1.668 -10.823 1.00 0.00 N ATOM 929 CA VAL A 484 -1.051 1.445 -9.852 1.00 0.00 C ATOM 930 C VAL A 484 0.201 2.233 -10.245 1.00 0.00 C ATOM 931 O VAL A 484 0.785 2.928 -9.413 1.00 0.00 O ATOM 932 CB VAL A 484 -0.759 -0.068 -9.730 1.00 0.00 C ATOM 933 CG1 VAL A 484 0.568 -0.419 -9.051 1.00 0.00 C ATOM 934 CG2 VAL A 484 -1.883 -0.756 -8.949 1.00 0.00 C ATOM 0 H VAL A 484 -2.483 0.803 -11.244 1.00 0.00 H new ATOM 0 HA VAL A 484 -1.365 1.812 -8.875 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.693 -0.422 -10.759 1.00 0.00 H new ATOM 0 HG11 VAL A 484 0.682 -1.502 -9.013 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.392 0.013 -9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 484 0.576 -0.018 -8.038 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.670 -1.822 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -1.951 -0.322 -7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.829 -0.614 -9.472 1.00 0.00 H new ATOM 944 N GLN A 485 0.580 2.196 -11.527 1.00 0.00 N ATOM 945 CA GLN A 485 1.721 2.948 -12.054 1.00 0.00 C ATOM 946 C GLN A 485 1.550 4.471 -11.906 1.00 0.00 C ATOM 947 O GLN A 485 2.532 5.170 -11.651 1.00 0.00 O ATOM 948 CB GLN A 485 1.936 2.533 -13.522 1.00 0.00 C ATOM 949 CG GLN A 485 3.123 3.223 -14.220 1.00 0.00 C ATOM 950 CD GLN A 485 4.472 2.938 -13.559 1.00 0.00 C ATOM 951 OE1 GLN A 485 5.179 1.997 -13.898 1.00 0.00 O ATOM 952 NE2 GLN A 485 4.886 3.735 -12.595 1.00 0.00 N ATOM 0 H GLN A 485 0.099 1.638 -12.233 1.00 0.00 H new ATOM 0 HA GLN A 485 2.607 2.704 -11.467 1.00 0.00 H new ATOM 0 HB2 GLN A 485 2.086 1.454 -13.562 1.00 0.00 H new ATOM 0 HB3 GLN A 485 1.027 2.749 -14.083 1.00 0.00 H new ATOM 0 HG2 GLN A 485 3.161 2.898 -15.260 1.00 0.00 H new ATOM 0 HG3 GLN A 485 2.953 4.300 -14.229 1.00 0.00 H new ATOM 0 HE21 GLN A 485 4.309 4.523 -12.301 1.00 0.00 H new ATOM 0 HE22 GLN A 485 5.784 3.564 -12.142 1.00 0.00 H new ATOM 961 N ILE A 486 0.322 4.992 -12.027 1.00 0.00 N ATOM 962 CA ILE A 486 0.027 6.427 -11.878 1.00 0.00 C ATOM 963 C ILE A 486 0.232 6.866 -10.422 1.00 0.00 C ATOM 964 O ILE A 486 0.904 7.866 -10.172 1.00 0.00 O ATOM 965 CB ILE A 486 -1.399 6.778 -12.373 1.00 0.00 C ATOM 966 CG1 ILE A 486 -1.658 6.243 -13.803 1.00 0.00 C ATOM 967 CG2 ILE A 486 -1.593 8.308 -12.331 1.00 0.00 C ATOM 968 CD1 ILE A 486 -3.087 6.467 -14.315 1.00 0.00 C ATOM 0 H ILE A 486 -0.502 4.427 -12.233 1.00 0.00 H new ATOM 0 HA ILE A 486 0.726 6.978 -12.508 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.119 6.296 -11.711 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -0.960 6.723 -14.489 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -1.441 5.175 -13.823 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -2.595 8.557 -12.679 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -1.465 8.663 -11.308 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -0.856 8.786 -12.976 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -3.180 6.062 -15.323 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -3.793 5.963 -13.655 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -3.304 7.535 -14.332 1.00 0.00 H new ATOM 980 N ALA A 487 -0.276 6.106 -9.447 1.00 0.00 N ATOM 981 CA ALA A 487 -0.067 6.387 -8.023 1.00 0.00 C ATOM 982 C ALA A 487 1.419 6.311 -7.612 1.00 0.00 C ATOM 983 O ALA A 487 1.904 7.166 -6.869 1.00 0.00 O ATOM 984 CB ALA A 487 -0.919 5.404 -7.215 1.00 0.00 C ATOM 0 H ALA A 487 -0.844 5.278 -9.623 1.00 0.00 H new ATOM 0 HA ALA A 487 -0.373 7.413 -7.817 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -0.781 5.593 -6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -1.970 5.535 -7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -0.614 4.383 -7.445 1.00 0.00 H new ATOM 990 N VAL A 488 2.165 5.327 -8.128 1.00 0.00 N ATOM 991 CA VAL A 488 3.616 5.182 -7.896 1.00 0.00 C ATOM 992 C VAL A 488 4.433 6.305 -8.562 1.00 0.00 C ATOM 993 O VAL A 488 5.451 6.732 -8.016 1.00 0.00 O ATOM 994 CB VAL A 488 4.084 3.782 -8.346 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.607 3.595 -8.329 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.494 2.714 -7.414 1.00 0.00 C ATOM 0 H VAL A 488 1.778 4.598 -8.727 1.00 0.00 H new ATOM 0 HA VAL A 488 3.797 5.279 -6.826 1.00 0.00 H new ATOM 0 HB VAL A 488 3.739 3.680 -9.375 1.00 0.00 H new ATOM 0 HG11 VAL A 488 5.853 2.586 -8.658 1.00 0.00 H new ATOM 0 HG12 VAL A 488 6.070 4.319 -9.000 1.00 0.00 H new ATOM 0 HG13 VAL A 488 5.981 3.748 -7.317 1.00 0.00 H new ATOM 0 HG21 VAL A 488 3.827 1.727 -7.735 1.00 0.00 H new ATOM 0 HG22 VAL A 488 3.830 2.896 -6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.406 2.760 -7.451 1.00 0.00 H new ATOM 1006 N ASN A 489 3.989 6.835 -9.707 1.00 0.00 N ATOM 1007 CA ASN A 489 4.583 8.026 -10.327 1.00 0.00 C ATOM 1008 C ASN A 489 4.316 9.304 -9.502 1.00 0.00 C ATOM 1009 O ASN A 489 5.231 10.083 -9.235 1.00 0.00 O ATOM 1010 CB ASN A 489 4.030 8.159 -11.757 1.00 0.00 C ATOM 1011 CG ASN A 489 4.537 9.409 -12.458 1.00 0.00 C ATOM 1012 OD1 ASN A 489 3.901 10.454 -12.457 1.00 0.00 O ATOM 1013 ND2 ASN A 489 5.699 9.351 -13.067 1.00 0.00 N ATOM 0 H ASN A 489 3.205 6.449 -10.232 1.00 0.00 H new ATOM 0 HA ASN A 489 5.666 7.907 -10.359 1.00 0.00 H new ATOM 0 HB2 ASN A 489 4.313 7.280 -12.337 1.00 0.00 H new ATOM 0 HB3 ASN A 489 2.941 8.181 -11.722 1.00 0.00 H new ATOM 0 HD21 ASN A 489 6.070 10.176 -13.538 1.00 0.00 H new ATOM 0 HD22 ASN A 489 6.231 8.481 -13.069 1.00 0.00 H new ATOM 1020 N THR A 490 3.062 9.516 -9.092 1.00 0.00 N ATOM 1021 CA THR A 490 2.601 10.753 -8.434 1.00 0.00 C ATOM 1022 C THR A 490 3.017 10.879 -6.963 1.00 0.00 C ATOM 1023 O THR A 490 3.149 12.000 -6.463 1.00 0.00 O ATOM 1024 CB THR A 490 1.076 10.921 -8.561 1.00 0.00 C ATOM 1025 OG1 THR A 490 0.374 9.764 -8.181 1.00 0.00 O ATOM 1026 CG2 THR A 490 0.680 11.258 -10.001 1.00 0.00 C ATOM 0 H THR A 490 2.322 8.824 -9.208 1.00 0.00 H new ATOM 0 HA THR A 490 3.106 11.557 -8.969 1.00 0.00 H new ATOM 0 HB THR A 490 0.810 11.736 -7.888 1.00 0.00 H new ATOM 0 HG1 THR A 490 0.402 9.110 -8.910 1.00 0.00 H new ATOM 0 HG21 THR A 490 -0.402 11.371 -10.064 1.00 0.00 H new ATOM 0 HG22 THR A 490 1.161 12.189 -10.302 1.00 0.00 H new ATOM 0 HG23 THR A 490 0.999 10.454 -10.664 1.00 0.00 H new ATOM 1034 N SER A 491 3.313 9.771 -6.275 1.00 0.00 N ATOM 1035 CA SER A 491 3.815 9.763 -4.887 1.00 0.00 C ATOM 1036 C SER A 491 5.160 10.483 -4.690 1.00 0.00 C ATOM 1037 O SER A 491 5.475 10.908 -3.575 1.00 0.00 O ATOM 1038 CB SER A 491 3.901 8.326 -4.373 1.00 0.00 C ATOM 1039 OG SER A 491 4.986 7.630 -4.960 1.00 0.00 O ATOM 0 H SER A 491 3.210 8.836 -6.669 1.00 0.00 H new ATOM 0 HA SER A 491 3.092 10.334 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 491 4.015 8.332 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 491 2.970 7.803 -4.593 1.00 0.00 H new ATOM 0 HG SER A 491 4.804 7.483 -5.912 1.00 0.00 H new ATOM 1045 N LYS A 492 5.920 10.708 -5.776 1.00 0.00 N ATOM 1046 CA LYS A 492 7.122 11.562 -5.832 1.00 0.00 C ATOM 1047 C LYS A 492 6.875 13.008 -5.355 1.00 0.00 C ATOM 1048 O LYS A 492 7.819 13.692 -4.955 1.00 0.00 O ATOM 1049 CB LYS A 492 7.653 11.517 -7.281 1.00 0.00 C ATOM 1050 CG LYS A 492 8.967 12.269 -7.559 1.00 0.00 C ATOM 1051 CD LYS A 492 10.154 11.753 -6.731 1.00 0.00 C ATOM 1052 CE LYS A 492 11.433 12.490 -7.142 1.00 0.00 C ATOM 1053 NZ LYS A 492 12.608 12.016 -6.367 1.00 0.00 N ATOM 0 H LYS A 492 5.705 10.282 -6.678 1.00 0.00 H new ATOM 0 HA LYS A 492 7.865 11.174 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 492 7.793 10.473 -7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 492 6.883 11.922 -7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 492 9.208 12.183 -8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 492 8.821 13.329 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 492 9.961 11.904 -5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 492 10.276 10.681 -6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 492 11.614 12.341 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 492 11.302 13.561 -6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 13.456 12.535 -6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 12.445 12.181 -5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 12.747 10.999 -6.534 1.00 0.00 H new ATOM 1067 N TYR A 493 5.615 13.450 -5.342 1.00 0.00 N ATOM 1068 CA TYR A 493 5.179 14.817 -5.022 1.00 0.00 C ATOM 1069 C TYR A 493 4.169 14.862 -3.851 1.00 0.00 C ATOM 1070 O TYR A 493 3.440 15.845 -3.687 1.00 0.00 O ATOM 1071 CB TYR A 493 4.627 15.462 -6.306 1.00 0.00 C ATOM 1072 CG TYR A 493 5.542 15.323 -7.514 1.00 0.00 C ATOM 1073 CD1 TYR A 493 6.716 16.098 -7.601 1.00 0.00 C ATOM 1074 CD2 TYR A 493 5.245 14.383 -8.521 1.00 0.00 C ATOM 1075 CE1 TYR A 493 7.593 15.935 -8.692 1.00 0.00 C ATOM 1076 CE2 TYR A 493 6.120 14.216 -9.612 1.00 0.00 C ATOM 1077 CZ TYR A 493 7.297 14.990 -9.700 1.00 0.00 C ATOM 1078 OH TYR A 493 8.142 14.817 -10.754 1.00 0.00 O ATOM 0 H TYR A 493 4.831 12.837 -5.565 1.00 0.00 H new ATOM 0 HA TYR A 493 6.034 15.393 -4.669 1.00 0.00 H new ATOM 0 HB2 TYR A 493 3.663 15.011 -6.540 1.00 0.00 H new ATOM 0 HB3 TYR A 493 4.447 16.521 -6.120 1.00 0.00 H new ATOM 0 HD1 TYR A 493 6.944 16.819 -6.830 1.00 0.00 H new ATOM 0 HD2 TYR A 493 4.345 13.790 -8.456 1.00 0.00 H new ATOM 0 HE1 TYR A 493 8.491 16.532 -8.758 1.00 0.00 H new ATOM 0 HE2 TYR A 493 5.890 13.495 -10.382 1.00 0.00 H new ATOM 0 HH TYR A 493 7.784 14.127 -11.351 1.00 0.00 H new ATOM 1088 N ALA A 494 4.107 13.795 -3.043 1.00 0.00 N ATOM 1089 CA ALA A 494 3.266 13.679 -1.850 1.00 0.00 C ATOM 1090 C ALA A 494 3.571 14.737 -0.762 1.00 0.00 C ATOM 1091 O ALA A 494 4.642 15.350 -0.738 1.00 0.00 O ATOM 1092 CB ALA A 494 3.440 12.261 -1.297 1.00 0.00 C ATOM 0 H ALA A 494 4.664 12.958 -3.212 1.00 0.00 H new ATOM 0 HA ALA A 494 2.233 13.869 -2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 494 2.825 12.140 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.132 11.536 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 494 4.487 12.096 -1.041 1.00 0.00 H new ATOM 1098 N GLU A 495 2.631 14.913 0.175 1.00 0.00 N ATOM 1099 CA GLU A 495 2.657 15.986 1.192 1.00 0.00 C ATOM 1100 C GLU A 495 2.441 15.512 2.645 1.00 0.00 C ATOM 1101 O GLU A 495 2.725 16.266 3.578 1.00 0.00 O ATOM 1102 CB GLU A 495 1.592 17.041 0.840 1.00 0.00 C ATOM 1103 CG GLU A 495 1.894 17.802 -0.458 1.00 0.00 C ATOM 1104 CD GLU A 495 0.870 18.932 -0.681 1.00 0.00 C ATOM 1105 OE1 GLU A 495 1.026 20.026 -0.085 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -0.100 18.738 -1.456 1.00 0.00 O ATOM 0 H GLU A 495 1.815 14.306 0.254 1.00 0.00 H new ATOM 0 HA GLU A 495 3.665 16.399 1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 495 0.623 16.551 0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 495 1.512 17.754 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 495 2.900 18.220 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 495 1.872 17.113 -1.302 1.00 0.00 H new ATOM 1113 N SER A 496 1.951 14.283 2.857 1.00 0.00 N ATOM 1114 CA SER A 496 1.629 13.714 4.185 1.00 0.00 C ATOM 1115 C SER A 496 1.681 12.166 4.202 1.00 0.00 C ATOM 1116 O SER A 496 1.230 11.518 5.147 1.00 0.00 O ATOM 1117 CB SER A 496 0.238 14.237 4.598 1.00 0.00 C ATOM 1118 OG SER A 496 -0.109 13.957 5.948 1.00 0.00 O ATOM 0 H SER A 496 1.760 13.635 2.093 1.00 0.00 H new ATOM 0 HA SER A 496 2.384 14.034 4.903 1.00 0.00 H new ATOM 0 HB2 SER A 496 0.206 15.315 4.442 1.00 0.00 H new ATOM 0 HB3 SER A 496 -0.513 13.797 3.942 1.00 0.00 H new ATOM 0 HG SER A 496 -1.000 14.318 6.138 1.00 0.00 H new ATOM 1124 N TYR A 497 2.209 11.544 3.141 1.00 0.00 N ATOM 1125 CA TYR A 497 2.144 10.097 2.890 1.00 0.00 C ATOM 1126 C TYR A 497 3.259 9.628 1.931 1.00 0.00 C ATOM 1127 O TYR A 497 3.998 10.446 1.373 1.00 0.00 O ATOM 1128 CB TYR A 497 0.750 9.765 2.312 1.00 0.00 C ATOM 1129 CG TYR A 497 0.449 10.444 0.984 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -0.107 11.739 0.954 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.765 9.793 -0.223 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.322 12.393 -0.275 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.560 10.445 -1.455 1.00 0.00 C ATOM 1134 CZ TYR A 497 0.020 11.748 -1.485 1.00 0.00 C ATOM 1135 OH TYR A 497 -0.165 12.376 -2.678 1.00 0.00 O ATOM 0 H TYR A 497 2.709 12.049 2.410 1.00 0.00 H new ATOM 0 HA TYR A 497 2.299 9.566 3.830 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.670 8.686 2.182 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -0.010 10.056 3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -0.370 12.232 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 497 1.166 8.790 -0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.747 13.386 -0.292 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.817 9.946 -2.378 1.00 0.00 H new ATOM 0 HH TYR A 497 0.125 11.787 -3.406 1.00 0.00 H new ATOM 1145 N ARG A 498 3.357 8.312 1.704 1.00 0.00 N ATOM 1146 CA ARG A 498 4.199 7.669 0.672 1.00 0.00 C ATOM 1147 C ARG A 498 3.506 6.415 0.121 1.00 0.00 C ATOM 1148 O ARG A 498 2.711 5.799 0.830 1.00 0.00 O ATOM 1149 CB ARG A 498 5.579 7.355 1.285 1.00 0.00 C ATOM 1150 CG ARG A 498 6.618 6.916 0.240 1.00 0.00 C ATOM 1151 CD ARG A 498 8.017 6.809 0.859 1.00 0.00 C ATOM 1152 NE ARG A 498 9.019 6.420 -0.153 1.00 0.00 N ATOM 1153 CZ ARG A 498 10.330 6.378 0.010 1.00 0.00 C ATOM 1154 NH1 ARG A 498 10.899 6.672 1.144 1.00 0.00 N ATOM 1155 NH2 ARG A 498 11.104 6.036 -0.980 1.00 0.00 N ATOM 0 H ARG A 498 2.832 7.633 2.255 1.00 0.00 H new ATOM 0 HA ARG A 498 4.344 8.342 -0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 498 5.948 8.238 1.806 1.00 0.00 H new ATOM 0 HB3 ARG A 498 5.468 6.568 2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 498 6.329 5.953 -0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 498 6.635 7.631 -0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 498 8.296 7.765 1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 498 8.006 6.075 1.665 1.00 0.00 H new ATOM 0 HE ARG A 498 8.663 6.157 -1.072 1.00 0.00 H new ATOM 0 HH11 ARG A 498 10.329 6.946 1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 498 11.914 6.628 1.232 1.00 0.00 H new ATOM 0 HH21 ARG A 498 10.699 5.799 -1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 498 12.115 6.005 -0.850 1.00 0.00 H new ATOM 1169 N ILE A 499 3.799 6.044 -1.132 1.00 0.00 N ATOM 1170 CA ILE A 499 3.151 4.942 -1.873 1.00 0.00 C ATOM 1171 C ILE A 499 4.207 4.104 -2.616 1.00 0.00 C ATOM 1172 O ILE A 499 5.159 4.652 -3.180 1.00 0.00 O ATOM 1173 CB ILE A 499 2.109 5.483 -2.888 1.00 0.00 C ATOM 1174 CG1 ILE A 499 1.114 6.482 -2.254 1.00 0.00 C ATOM 1175 CG2 ILE A 499 1.345 4.330 -3.565 1.00 0.00 C ATOM 1176 CD1 ILE A 499 0.181 7.174 -3.252 1.00 0.00 C ATOM 0 H ILE A 499 4.518 6.516 -1.681 1.00 0.00 H new ATOM 0 HA ILE A 499 2.634 4.314 -1.148 1.00 0.00 H new ATOM 0 HB ILE A 499 2.675 6.028 -3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 499 0.509 5.953 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 499 1.678 7.244 -1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 499 0.622 4.738 -4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 499 2.049 3.689 -4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 499 0.823 3.745 -2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -0.481 7.856 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 499 0.773 7.735 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.414 6.424 -3.774 1.00 0.00 H new ATOM 1188 N GLN A 500 4.001 2.788 -2.665 1.00 0.00 N ATOM 1189 CA GLN A 500 4.736 1.809 -3.483 1.00 0.00 C ATOM 1190 C GLN A 500 3.786 0.668 -3.914 1.00 0.00 C ATOM 1191 O GLN A 500 2.667 0.586 -3.403 1.00 0.00 O ATOM 1192 CB GLN A 500 5.959 1.306 -2.692 1.00 0.00 C ATOM 1193 CG GLN A 500 5.616 0.500 -1.427 1.00 0.00 C ATOM 1194 CD GLN A 500 6.842 0.163 -0.579 1.00 0.00 C ATOM 1195 OE1 GLN A 500 7.967 0.049 -1.049 1.00 0.00 O ATOM 1196 NE2 GLN A 500 6.677 0.000 0.716 1.00 0.00 N ATOM 0 H GLN A 500 3.274 2.345 -2.103 1.00 0.00 H new ATOM 0 HA GLN A 500 5.106 2.272 -4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 500 6.569 0.685 -3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.568 2.163 -2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 500 4.909 1.068 -0.823 1.00 0.00 H new ATOM 0 HG3 GLN A 500 5.117 -0.425 -1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 500 5.748 0.091 1.127 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.478 -0.217 1.309 1.00 0.00 H new ATOM 1205 N THR A 501 4.167 -0.221 -4.837 1.00 0.00 N ATOM 1206 CA THR A 501 3.351 -1.424 -5.136 1.00 0.00 C ATOM 1207 C THR A 501 3.405 -2.464 -4.006 1.00 0.00 C ATOM 1208 O THR A 501 4.302 -2.441 -3.156 1.00 0.00 O ATOM 1209 CB THR A 501 3.719 -2.108 -6.465 1.00 0.00 C ATOM 1210 OG1 THR A 501 4.925 -2.824 -6.359 1.00 0.00 O ATOM 1211 CG2 THR A 501 3.848 -1.139 -7.636 1.00 0.00 C ATOM 0 H THR A 501 5.021 -0.141 -5.388 1.00 0.00 H new ATOM 0 HA THR A 501 2.335 -1.041 -5.227 1.00 0.00 H new ATOM 0 HB THR A 501 2.887 -2.783 -6.667 1.00 0.00 H new ATOM 0 HG1 THR A 501 5.130 -3.248 -7.218 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.109 -1.692 -8.539 1.00 0.00 H new ATOM 0 HG22 THR A 501 2.900 -0.623 -7.788 1.00 0.00 H new ATOM 0 HG23 THR A 501 4.628 -0.409 -7.420 1.00 0.00 H new ATOM 1219 N TYR A 502 2.482 -3.431 -4.010 1.00 0.00 N ATOM 1220 CA TYR A 502 2.550 -4.610 -3.134 1.00 0.00 C ATOM 1221 C TYR A 502 3.873 -5.385 -3.315 1.00 0.00 C ATOM 1222 O TYR A 502 4.507 -5.780 -2.335 1.00 0.00 O ATOM 1223 CB TYR A 502 1.334 -5.506 -3.421 1.00 0.00 C ATOM 1224 CG TYR A 502 1.218 -6.723 -2.521 1.00 0.00 C ATOM 1225 CD1 TYR A 502 1.918 -7.908 -2.827 1.00 0.00 C ATOM 1226 CD2 TYR A 502 0.403 -6.671 -1.373 1.00 0.00 C ATOM 1227 CE1 TYR A 502 1.818 -9.028 -1.979 1.00 0.00 C ATOM 1228 CE2 TYR A 502 0.302 -7.788 -0.520 1.00 0.00 C ATOM 1229 CZ TYR A 502 1.015 -8.970 -0.820 1.00 0.00 C ATOM 1230 OH TYR A 502 0.920 -10.059 -0.008 1.00 0.00 O ATOM 0 H TYR A 502 1.665 -3.420 -4.621 1.00 0.00 H new ATOM 0 HA TYR A 502 2.527 -4.283 -2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 502 0.428 -4.909 -3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 502 1.382 -5.840 -4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 502 2.532 -7.957 -3.714 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -0.147 -5.770 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 502 2.357 -9.933 -2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -0.320 -7.741 0.362 1.00 0.00 H new ATOM 0 HH TYR A 502 0.329 -9.854 0.747 1.00 0.00 H new ATOM 1240 N ALA A 503 4.328 -5.560 -4.562 1.00 0.00 N ATOM 1241 CA ALA A 503 5.592 -6.227 -4.879 1.00 0.00 C ATOM 1242 C ALA A 503 6.825 -5.441 -4.391 1.00 0.00 C ATOM 1243 O ALA A 503 7.776 -6.039 -3.881 1.00 0.00 O ATOM 1244 CB ALA A 503 5.647 -6.471 -6.392 1.00 0.00 C ATOM 0 H ALA A 503 3.821 -5.238 -5.387 1.00 0.00 H new ATOM 0 HA ALA A 503 5.625 -7.177 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 503 6.583 -6.968 -6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 503 4.809 -7.101 -6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 503 5.588 -5.517 -6.917 1.00 0.00 H new ATOM 1250 N GLU A 504 6.812 -4.106 -4.486 1.00 0.00 N ATOM 1251 CA GLU A 504 7.859 -3.248 -3.912 1.00 0.00 C ATOM 1252 C GLU A 504 7.901 -3.340 -2.381 1.00 0.00 C ATOM 1253 O GLU A 504 8.989 -3.458 -1.820 1.00 0.00 O ATOM 1254 CB GLU A 504 7.661 -1.785 -4.334 1.00 0.00 C ATOM 1255 CG GLU A 504 8.055 -1.527 -5.793 1.00 0.00 C ATOM 1256 CD GLU A 504 7.875 -0.042 -6.159 1.00 0.00 C ATOM 1257 OE1 GLU A 504 6.743 0.485 -6.038 1.00 0.00 O ATOM 1258 OE2 GLU A 504 8.869 0.606 -6.573 1.00 0.00 O ATOM 0 H GLU A 504 6.074 -3.588 -4.964 1.00 0.00 H new ATOM 0 HA GLU A 504 8.811 -3.610 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 504 6.616 -1.509 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 504 8.253 -1.141 -3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 504 9.093 -1.821 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 504 7.445 -2.144 -6.453 1.00 0.00 H new ATOM 1265 N TYR A 505 6.746 -3.369 -1.700 1.00 0.00 N ATOM 1266 CA TYR A 505 6.689 -3.612 -0.254 1.00 0.00 C ATOM 1267 C TYR A 505 7.318 -4.965 0.120 1.00 0.00 C ATOM 1268 O TYR A 505 8.198 -5.009 0.980 1.00 0.00 O ATOM 1269 CB TYR A 505 5.245 -3.513 0.260 1.00 0.00 C ATOM 1270 CG TYR A 505 5.087 -4.000 1.691 1.00 0.00 C ATOM 1271 CD1 TYR A 505 5.446 -3.164 2.766 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.656 -5.318 1.942 1.00 0.00 C ATOM 1273 CE1 TYR A 505 5.371 -3.639 4.091 1.00 0.00 C ATOM 1274 CE2 TYR A 505 4.590 -5.800 3.264 1.00 0.00 C ATOM 1275 CZ TYR A 505 4.946 -4.963 4.342 1.00 0.00 C ATOM 1276 OH TYR A 505 4.890 -5.442 5.615 1.00 0.00 O ATOM 0 H TYR A 505 5.834 -3.226 -2.133 1.00 0.00 H new ATOM 0 HA TYR A 505 7.278 -2.835 0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 505 4.913 -2.477 0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.593 -4.097 -0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 505 5.780 -2.155 2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.376 -5.960 1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 505 5.638 -2.992 4.913 1.00 0.00 H new ATOM 0 HE2 TYR A 505 4.266 -6.813 3.453 1.00 0.00 H new ATOM 0 HH TYR A 505 4.575 -6.370 5.602 1.00 0.00 H new