USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 535 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 439 HIS : no HD1:sc= -0.89 X(o=-0.89,f=-0.51) USER MOD Set 1.2: A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 442 HIS : no HD1:sc= -12.5! C(o=-13!,f=-13!) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0.0147 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= -0.095 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 K(o=0,f=-0.76) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.25) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=0) 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 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.4) USER MOD Single : A 483 GLN : amide:sc= -4.73! C(o=-4.7!,f=-13!) USER MOD Single : A 485 GLN : amide:sc= -0.0677 X(o=-0.068,f=-0.43) USER MOD Single : A 489 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 490 THR OG1 : rot -77:sc= 0.517 USER MOD Single : A 491 SER OG : rot -36:sc= 0.955 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 TYR OH : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 500 GLN : amide:sc= -0.314 K(o=-0.31,f=-0.85) USER MOD Single : A 501 THR OG1 : rot 180:sc= -0.533 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 207 N HIS A 439 -5.976 9.121 6.967 1.00 0.00 N ATOM 208 CA HIS A 439 -5.095 8.436 6.029 1.00 0.00 C ATOM 209 C HIS A 439 -4.625 7.101 6.600 1.00 0.00 C ATOM 210 O HIS A 439 -4.483 6.118 5.872 1.00 0.00 O ATOM 211 CB HIS A 439 -3.888 9.314 5.695 1.00 0.00 C ATOM 212 CG HIS A 439 -3.430 10.163 6.841 1.00 0.00 C ATOM 213 ND1 HIS A 439 -3.977 11.394 7.132 1.00 0.00 N ATOM 214 CD2 HIS A 439 -2.471 9.949 7.772 1.00 0.00 C ATOM 215 CE1 HIS A 439 -3.373 11.903 8.191 1.00 0.00 C ATOM 216 NE2 HIS A 439 -2.456 11.045 8.599 1.00 0.00 N ATOM 0 HA HIS A 439 -5.658 8.243 5.116 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -3.064 8.677 5.373 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.140 9.959 4.853 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -1.836 9.079 7.850 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -3.592 12.858 8.645 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -1.837 11.175 9.399 1.00 0.00 H new ATOM 225 N VAL A 440 -4.384 7.074 7.907 1.00 0.00 N ATOM 226 CA VAL A 440 -3.931 5.861 8.576 1.00 0.00 C ATOM 227 C VAL A 440 -5.040 4.816 8.630 1.00 0.00 C ATOM 228 O VAL A 440 -6.218 5.151 8.761 1.00 0.00 O ATOM 229 CB VAL A 440 -3.449 6.156 10.009 1.00 0.00 C ATOM 230 CG1 VAL A 440 -3.021 4.873 10.704 1.00 0.00 C ATOM 231 CG2 VAL A 440 -2.311 7.167 9.990 1.00 0.00 C ATOM 0 H VAL A 440 -4.495 7.879 8.523 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.096 5.472 7.993 1.00 0.00 H new ATOM 0 HB VAL A 440 -4.278 6.586 10.571 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.684 5.102 11.715 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -3.865 4.185 10.750 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -2.207 4.411 10.146 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -1.982 7.364 11.010 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -1.478 6.767 9.412 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -2.656 8.095 9.534 1.00 0.00 H new ATOM 241 N LEU A 441 -4.656 3.548 8.528 1.00 0.00 N ATOM 242 CA LEU A 441 -5.618 2.452 8.566 1.00 0.00 C ATOM 243 C LEU A 441 -5.185 1.382 9.563 1.00 0.00 C ATOM 244 O LEU A 441 -3.994 1.108 9.718 1.00 0.00 O ATOM 245 CB LEU A 441 -5.773 1.836 7.175 1.00 0.00 C ATOM 246 CG LEU A 441 -5.821 2.821 6.006 1.00 0.00 C ATOM 247 CD1 LEU A 441 -5.547 2.104 4.693 1.00 0.00 C ATOM 248 CD2 LEU A 441 -7.168 3.527 5.959 1.00 0.00 C ATOM 0 H LEU A 441 -3.686 3.254 8.418 1.00 0.00 H new ATOM 0 HA LEU A 441 -6.578 2.855 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -4.944 1.148 7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -6.687 1.243 7.162 1.00 0.00 H new ATOM 0 HG LEU A 441 -5.045 3.572 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -5.585 2.820 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -4.559 1.645 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -6.300 1.332 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -7.184 4.224 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 441 -7.961 2.790 5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 441 -7.325 4.074 6.889 1.00 0.00 H new ATOM 260 N HIS A 442 -6.160 0.780 10.237 1.00 0.00 N ATOM 261 CA HIS A 442 -5.880 -0.263 11.217 1.00 0.00 C ATOM 262 C HIS A 442 -6.101 -1.648 10.616 1.00 0.00 C ATOM 263 O HIS A 442 -7.236 -2.055 10.371 1.00 0.00 O ATOM 264 CB HIS A 442 -6.764 -0.083 12.451 1.00 0.00 C ATOM 265 CG HIS A 442 -6.307 -0.875 13.637 1.00 0.00 C ATOM 266 ND1 HIS A 442 -6.626 -2.204 13.823 1.00 0.00 N ATOM 267 CD2 HIS A 442 -5.548 -0.520 14.700 1.00 0.00 C ATOM 268 CE1 HIS A 442 -6.086 -2.630 14.951 1.00 0.00 C ATOM 269 NE2 HIS A 442 -5.426 -1.628 15.502 1.00 0.00 N ATOM 0 H HIS A 442 -7.150 0.997 10.122 1.00 0.00 H new ATOM 0 HA HIS A 442 -4.834 -0.178 11.513 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -6.790 0.973 12.718 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -7.785 -0.374 12.202 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -5.118 0.454 14.883 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -6.170 -3.628 15.354 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -4.909 -1.670 16.381 1.00 0.00 H new ATOM 278 N VAL A 443 -5.008 -2.367 10.380 1.00 0.00 N ATOM 279 CA VAL A 443 -5.082 -3.706 9.808 1.00 0.00 C ATOM 280 C VAL A 443 -4.669 -4.762 10.826 1.00 0.00 C ATOM 281 O VAL A 443 -3.566 -4.718 11.371 1.00 0.00 O ATOM 282 CB VAL A 443 -4.188 -3.833 8.560 1.00 0.00 C ATOM 283 CG1 VAL A 443 -4.259 -5.244 7.995 1.00 0.00 C ATOM 284 CG2 VAL A 443 -4.590 -2.808 7.510 1.00 0.00 C ATOM 0 H VAL A 443 -4.061 -2.044 10.576 1.00 0.00 H new ATOM 0 HA VAL A 443 -6.120 -3.871 9.520 1.00 0.00 H new ATOM 0 HB VAL A 443 -3.156 -3.635 8.851 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.621 -5.316 7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -3.919 -5.955 8.748 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.288 -5.474 7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.948 -2.912 6.635 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.628 -2.972 7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.483 -1.804 7.921 1.00 0.00 H new ATOM 294 N THR A 444 -5.562 -5.714 11.079 1.00 0.00 N ATOM 295 CA THR A 444 -5.292 -6.782 12.032 1.00 0.00 C ATOM 296 C THR A 444 -4.984 -8.093 11.317 1.00 0.00 C ATOM 297 O THR A 444 -5.884 -8.761 10.809 1.00 0.00 O ATOM 298 CB THR A 444 -6.481 -6.999 12.987 1.00 0.00 C ATOM 299 OG1 THR A 444 -7.713 -6.779 12.291 1.00 0.00 O ATOM 300 CG2 THR A 444 -6.394 -6.062 14.182 1.00 0.00 C ATOM 0 H THR A 444 -6.479 -5.766 10.636 1.00 0.00 H new ATOM 0 HA THR A 444 -4.422 -6.474 12.612 1.00 0.00 H new ATOM 0 HB THR A 444 -6.446 -8.027 13.349 1.00 0.00 H new ATOM 0 HG1 THR A 444 -8.465 -6.920 12.904 1.00 0.00 H new ATOM 0 HG21 THR A 444 -7.244 -6.234 14.842 1.00 0.00 H new ATOM 0 HG22 THR A 444 -5.469 -6.251 14.726 1.00 0.00 H new ATOM 0 HG23 THR A 444 -6.407 -5.029 13.836 1.00 0.00 H new ATOM 308 N PHE A 445 -3.706 -8.456 11.282 1.00 0.00 N ATOM 309 CA PHE A 445 -3.279 -9.688 10.628 1.00 0.00 C ATOM 310 C PHE A 445 -2.597 -10.623 11.621 1.00 0.00 C ATOM 311 O PHE A 445 -2.023 -10.194 12.623 1.00 0.00 O ATOM 312 CB PHE A 445 -2.329 -9.373 9.471 1.00 0.00 C ATOM 313 CG PHE A 445 -1.042 -8.733 9.909 1.00 0.00 C ATOM 314 CD1 PHE A 445 -0.089 -9.466 10.598 1.00 0.00 C ATOM 315 CD2 PHE A 445 -0.786 -7.400 9.631 1.00 0.00 C ATOM 316 CE1 PHE A 445 1.095 -8.879 11.002 1.00 0.00 C ATOM 317 CE2 PHE A 445 0.396 -6.808 10.033 1.00 0.00 C ATOM 318 CZ PHE A 445 1.339 -7.549 10.719 1.00 0.00 C ATOM 0 H PHE A 445 -2.948 -7.915 11.699 1.00 0.00 H new ATOM 0 HA PHE A 445 -4.165 -10.188 10.236 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -2.103 -10.295 8.936 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -2.833 -8.711 8.767 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -0.273 -10.506 10.821 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -1.519 -6.817 9.094 1.00 0.00 H new ATOM 0 HE1 PHE A 445 1.830 -9.460 11.539 1.00 0.00 H new ATOM 0 HE2 PHE A 445 0.582 -5.768 9.811 1.00 0.00 H new ATOM 0 HZ PHE A 445 2.265 -7.090 11.033 1.00 0.00 H new ATOM 328 N PRO A 446 -2.660 -11.933 11.340 1.00 0.00 N ATOM 329 CA PRO A 446 -2.053 -12.957 12.196 1.00 0.00 C ATOM 330 C PRO A 446 -0.530 -12.921 12.153 1.00 0.00 C ATOM 331 O PRO A 446 0.066 -12.655 11.109 1.00 0.00 O ATOM 332 CB PRO A 446 -2.574 -14.268 11.603 1.00 0.00 C ATOM 333 CG PRO A 446 -2.873 -13.949 10.179 1.00 0.00 C ATOM 334 CD PRO A 446 -3.327 -12.515 10.163 1.00 0.00 C ATOM 0 HA PRO A 446 -2.310 -12.816 13.246 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -1.831 -15.061 11.683 1.00 0.00 H new ATOM 0 HB3 PRO A 446 -3.466 -14.612 12.127 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -1.990 -14.086 9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 446 -3.647 -14.608 9.786 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -3.032 -12.010 9.243 1.00 0.00 H new ATOM 0 HD3 PRO A 446 -4.412 -12.436 10.236 1.00 0.00 H new ATOM 342 N LYS A 447 0.097 -13.189 13.294 1.00 0.00 N ATOM 343 CA LYS A 447 1.552 -13.190 13.387 1.00 0.00 C ATOM 344 C LYS A 447 2.169 -13.996 12.249 1.00 0.00 C ATOM 345 O LYS A 447 3.229 -13.644 11.732 1.00 0.00 O ATOM 346 CB LYS A 447 1.997 -13.764 14.733 1.00 0.00 C ATOM 347 CG LYS A 447 1.726 -15.252 14.879 1.00 0.00 C ATOM 348 CD LYS A 447 2.021 -15.736 16.289 1.00 0.00 C ATOM 349 CE LYS A 447 1.562 -17.173 16.492 1.00 0.00 C ATOM 350 NZ LYS A 447 2.187 -17.789 17.695 1.00 0.00 N ATOM 0 H LYS A 447 -0.381 -13.409 14.168 1.00 0.00 H new ATOM 0 HA LYS A 447 1.897 -12.159 13.307 1.00 0.00 H new ATOM 0 HB2 LYS A 447 3.064 -13.583 14.861 1.00 0.00 H new ATOM 0 HB3 LYS A 447 1.485 -13.230 15.533 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.685 -15.459 14.632 1.00 0.00 H new ATOM 0 HG3 LYS A 447 2.338 -15.806 14.167 1.00 0.00 H new ATOM 0 HD2 LYS A 447 3.091 -15.664 16.483 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.522 -15.088 17.009 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.477 -17.197 16.594 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.813 -17.763 15.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 1.850 -18.767 17.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 3.221 -17.789 17.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 1.927 -17.241 18.540 1.00 0.00 H new ATOM 364 N GLU A 448 1.499 -15.077 11.863 1.00 0.00 N ATOM 365 CA GLU A 448 1.983 -15.932 10.786 1.00 0.00 C ATOM 366 C GLU A 448 2.443 -15.097 9.594 1.00 0.00 C ATOM 367 O GLU A 448 3.318 -15.511 8.833 1.00 0.00 O ATOM 368 CB GLU A 448 0.889 -16.907 10.347 1.00 0.00 C ATOM 369 CG GLU A 448 -0.089 -16.314 9.346 1.00 0.00 C ATOM 370 CD GLU A 448 -1.139 -17.311 8.896 1.00 0.00 C ATOM 371 OE1 GLU A 448 -1.962 -17.726 9.738 1.00 0.00 O ATOM 372 OE2 GLU A 448 -1.137 -17.676 7.702 1.00 0.00 O ATOM 0 H GLU A 448 0.619 -15.381 12.280 1.00 0.00 H new ATOM 0 HA GLU A 448 2.835 -16.499 11.162 1.00 0.00 H new ATOM 0 HB2 GLU A 448 1.355 -17.789 9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 448 0.338 -17.242 11.226 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -0.581 -15.450 9.793 1.00 0.00 H new ATOM 0 HG3 GLU A 448 0.461 -15.953 8.477 1.00 0.00 H new ATOM 379 N TRP A 449 1.848 -13.920 9.439 1.00 0.00 N ATOM 380 CA TRP A 449 2.196 -13.027 8.340 1.00 0.00 C ATOM 381 C TRP A 449 3.630 -12.527 8.477 1.00 0.00 C ATOM 382 O TRP A 449 4.321 -12.852 9.443 1.00 0.00 O ATOM 383 CB TRP A 449 1.231 -11.840 8.295 1.00 0.00 C ATOM 384 CG TRP A 449 -0.076 -12.162 7.636 1.00 0.00 C ATOM 385 CD1 TRP A 449 -0.764 -13.339 7.710 1.00 0.00 C ATOM 386 CD2 TRP A 449 -0.850 -11.294 6.801 1.00 0.00 C ATOM 387 NE1 TRP A 449 -1.919 -13.256 6.972 1.00 0.00 N ATOM 388 CE2 TRP A 449 -1.996 -12.012 6.404 1.00 0.00 C ATOM 389 CE3 TRP A 449 -0.688 -9.981 6.350 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.971 -11.458 5.579 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -1.657 -9.434 5.531 1.00 0.00 C ATOM 392 CH2 TRP A 449 -2.787 -10.171 5.153 1.00 0.00 C ATOM 0 H TRP A 449 1.123 -13.562 10.060 1.00 0.00 H new ATOM 0 HA TRP A 449 2.115 -13.588 7.409 1.00 0.00 H new ATOM 0 HB2 TRP A 449 1.042 -11.496 9.312 1.00 0.00 H new ATOM 0 HB3 TRP A 449 1.705 -11.016 7.762 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -0.446 -14.208 8.267 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -2.608 -14.000 6.864 1.00 0.00 H new ATOM 0 HE3 TRP A 449 0.179 -9.404 6.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -3.842 -12.025 5.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -1.541 -8.421 5.176 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.527 -9.714 4.513 1.00 0.00 H new ATOM 403 N LYS A 450 4.072 -11.735 7.506 1.00 0.00 N ATOM 404 CA LYS A 450 5.423 -11.189 7.519 1.00 0.00 C ATOM 405 C LYS A 450 5.487 -9.877 6.744 1.00 0.00 C ATOM 406 O LYS A 450 4.706 -9.651 5.819 1.00 0.00 O ATOM 407 CB LYS A 450 6.408 -12.196 6.921 1.00 0.00 C ATOM 408 CG LYS A 450 7.797 -11.626 6.692 1.00 0.00 C ATOM 409 CD LYS A 450 8.872 -12.682 6.884 1.00 0.00 C ATOM 410 CE LYS A 450 9.347 -12.739 8.328 1.00 0.00 C ATOM 411 NZ LYS A 450 10.364 -11.692 8.619 1.00 0.00 N ATOM 0 H LYS A 450 3.513 -11.457 6.699 1.00 0.00 H new ATOM 0 HA LYS A 450 5.699 -10.992 8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 450 6.483 -13.057 7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 450 6.012 -12.559 5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 450 7.862 -11.219 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 450 7.970 -10.800 7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 450 8.483 -13.657 6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 450 9.717 -12.465 6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 450 8.495 -12.613 8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 450 9.770 -13.723 8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 10.662 -11.764 9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 11.188 -11.827 8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 9.953 -10.752 8.448 1.00 0.00 H new ATOM 425 N THR A 451 6.424 -9.014 7.125 1.00 0.00 N ATOM 426 CA THR A 451 6.591 -7.725 6.466 1.00 0.00 C ATOM 427 C THR A 451 6.356 -7.842 4.964 1.00 0.00 C ATOM 428 O THR A 451 5.940 -6.882 4.315 1.00 0.00 O ATOM 429 CB THR A 451 7.997 -7.146 6.711 1.00 0.00 C ATOM 430 OG1 THR A 451 8.214 -6.965 8.115 1.00 0.00 O ATOM 431 CG2 THR A 451 8.168 -5.817 5.991 1.00 0.00 C ATOM 0 H THR A 451 7.079 -9.185 7.888 1.00 0.00 H new ATOM 0 HA THR A 451 5.850 -7.051 6.896 1.00 0.00 H new ATOM 0 HB THR A 451 8.730 -7.851 6.318 1.00 0.00 H new ATOM 0 HG1 THR A 451 9.111 -6.598 8.263 1.00 0.00 H new ATOM 0 HG21 THR A 451 9.169 -5.428 6.179 1.00 0.00 H new ATOM 0 HG22 THR A 451 8.031 -5.963 4.920 1.00 0.00 H new ATOM 0 HG23 THR A 451 7.427 -5.106 6.358 1.00 0.00 H new ATOM 439 N SER A 452 6.624 -9.023 4.418 1.00 0.00 N ATOM 440 CA SER A 452 6.444 -9.264 2.991 1.00 0.00 C ATOM 441 C SER A 452 4.963 -9.312 2.630 1.00 0.00 C ATOM 442 O SER A 452 4.522 -8.663 1.681 1.00 0.00 O ATOM 443 CB SER A 452 7.123 -10.573 2.584 1.00 0.00 C ATOM 444 OG SER A 452 7.013 -10.792 1.188 1.00 0.00 O ATOM 0 H SER A 452 6.967 -9.828 4.942 1.00 0.00 H new ATOM 0 HA SER A 452 6.905 -8.439 2.448 1.00 0.00 H new ATOM 0 HB2 SER A 452 8.175 -10.545 2.869 1.00 0.00 H new ATOM 0 HB3 SER A 452 6.669 -11.405 3.123 1.00 0.00 H new ATOM 0 HG SER A 452 7.456 -11.634 0.953 1.00 0.00 H new ATOM 450 N ASP A 453 4.199 -10.085 3.394 1.00 0.00 N ATOM 451 CA ASP A 453 2.766 -10.219 3.157 1.00 0.00 C ATOM 452 C ASP A 453 2.073 -8.863 3.246 1.00 0.00 C ATOM 453 O ASP A 453 1.139 -8.581 2.494 1.00 0.00 O ATOM 454 CB ASP A 453 2.149 -11.188 4.166 1.00 0.00 C ATOM 455 CG ASP A 453 2.760 -12.573 4.087 1.00 0.00 C ATOM 456 OD1 ASP A 453 2.547 -13.259 3.064 1.00 0.00 O ATOM 457 OD2 ASP A 453 3.452 -12.972 5.046 1.00 0.00 O ATOM 0 H ASP A 453 4.548 -10.629 4.183 1.00 0.00 H new ATOM 0 HA ASP A 453 2.624 -10.615 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 453 2.282 -10.793 5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 453 1.076 -11.257 3.989 1.00 0.00 H new ATOM 462 N LEU A 454 2.534 -8.027 4.169 1.00 0.00 N ATOM 463 CA LEU A 454 1.958 -6.700 4.357 1.00 0.00 C ATOM 464 C LEU A 454 2.194 -5.825 3.130 1.00 0.00 C ATOM 465 O LEU A 454 1.250 -5.303 2.536 1.00 0.00 O ATOM 466 CB LEU A 454 2.556 -6.033 5.597 1.00 0.00 C ATOM 467 CG LEU A 454 1.875 -6.356 6.927 1.00 0.00 C ATOM 468 CD1 LEU A 454 0.387 -6.051 6.852 1.00 0.00 C ATOM 469 CD2 LEU A 454 2.105 -7.812 7.305 1.00 0.00 C ATOM 0 H LEU A 454 3.306 -8.244 4.800 1.00 0.00 H new ATOM 0 HA LEU A 454 0.883 -6.814 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 454 3.605 -6.321 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 454 2.531 -4.953 5.452 1.00 0.00 H new ATOM 0 HG LEU A 454 2.315 -5.727 7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -0.081 -6.287 7.808 1.00 0.00 H new ATOM 0 HD12 LEU A 454 0.243 -4.994 6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -0.069 -6.653 6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 454 1.613 -8.024 8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 454 1.692 -8.459 6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 454 3.175 -7.998 7.401 1.00 0.00 H new ATOM 481 N TYR A 455 3.459 -5.670 2.756 1.00 0.00 N ATOM 482 CA TYR A 455 3.820 -4.858 1.600 1.00 0.00 C ATOM 483 C TYR A 455 3.126 -5.366 0.339 1.00 0.00 C ATOM 484 O TYR A 455 2.452 -4.608 -0.358 1.00 0.00 O ATOM 485 CB TYR A 455 5.336 -4.865 1.399 1.00 0.00 C ATOM 486 CG TYR A 455 6.050 -3.755 2.136 1.00 0.00 C ATOM 487 CD1 TYR A 455 5.756 -2.422 1.878 1.00 0.00 C ATOM 488 CD2 TYR A 455 7.019 -4.038 3.090 1.00 0.00 C ATOM 489 CE1 TYR A 455 6.405 -1.404 2.548 1.00 0.00 C ATOM 490 CE2 TYR A 455 7.673 -3.027 3.766 1.00 0.00 C ATOM 491 CZ TYR A 455 7.363 -1.711 3.492 1.00 0.00 C ATOM 492 OH TYR A 455 8.013 -0.701 4.163 1.00 0.00 O ATOM 0 H TYR A 455 4.252 -6.096 3.236 1.00 0.00 H new ATOM 0 HA TYR A 455 3.490 -3.836 1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 455 5.734 -5.824 1.731 1.00 0.00 H new ATOM 0 HB3 TYR A 455 5.553 -4.781 0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 455 5.006 -2.178 1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.265 -5.067 3.307 1.00 0.00 H new ATOM 0 HE1 TYR A 455 6.164 -0.373 2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.423 -3.265 4.505 1.00 0.00 H new ATOM 0 HH TYR A 455 8.656 -1.088 4.793 1.00 0.00 H new ATOM 502 N GLN A 456 3.297 -6.653 0.056 1.00 0.00 N ATOM 503 CA GLN A 456 2.687 -7.263 -1.120 1.00 0.00 C ATOM 504 C GLN A 456 1.189 -6.981 -1.165 1.00 0.00 C ATOM 505 O GLN A 456 0.643 -6.632 -2.212 1.00 0.00 O ATOM 506 CB GLN A 456 2.935 -8.772 -1.125 1.00 0.00 C ATOM 507 CG GLN A 456 4.295 -9.164 -1.678 1.00 0.00 C ATOM 508 CD GLN A 456 4.281 -9.351 -3.183 1.00 0.00 C ATOM 509 OE1 GLN A 456 3.423 -8.809 -3.879 1.00 0.00 O ATOM 510 NE2 GLN A 456 5.234 -10.123 -3.693 1.00 0.00 N ATOM 0 H GLN A 456 3.852 -7.293 0.624 1.00 0.00 H new ATOM 0 HA GLN A 456 3.147 -6.824 -2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 456 2.844 -9.150 -0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 456 2.158 -9.257 -1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 456 5.024 -8.396 -1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 456 4.623 -10.089 -1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 456 5.926 -10.553 -3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 456 5.274 -10.286 -4.699 1.00 0.00 H new ATOM 519 N LEU A 457 0.529 -7.136 -0.023 1.00 0.00 N ATOM 520 CA LEU A 457 -0.908 -6.898 0.069 1.00 0.00 C ATOM 521 C LEU A 457 -1.250 -5.467 -0.331 1.00 0.00 C ATOM 522 O LEU A 457 -2.015 -5.239 -1.268 1.00 0.00 O ATOM 523 CB LEU A 457 -1.400 -7.174 1.491 1.00 0.00 C ATOM 524 CG LEU A 457 -2.913 -7.110 1.701 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.562 -8.432 1.321 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.236 -6.751 3.145 1.00 0.00 C ATOM 0 H LEU A 457 0.965 -7.425 0.852 1.00 0.00 H new ATOM 0 HA LEU A 457 -1.409 -7.577 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -1.053 -8.164 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -0.929 -6.456 2.163 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.317 -6.332 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -4.639 -8.367 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.360 -8.648 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.153 -9.230 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.317 -6.710 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.818 -7.507 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -2.804 -5.779 3.384 1.00 0.00 H new ATOM 538 N PHE A 458 -0.675 -4.505 0.383 1.00 0.00 N ATOM 539 CA PHE A 458 -0.918 -3.095 0.102 1.00 0.00 C ATOM 540 C PHE A 458 -0.174 -2.655 -1.156 1.00 0.00 C ATOM 541 O PHE A 458 -0.373 -1.546 -1.652 1.00 0.00 O ATOM 542 CB PHE A 458 -0.487 -2.234 1.291 1.00 0.00 C ATOM 543 CG PHE A 458 -1.564 -2.054 2.323 1.00 0.00 C ATOM 544 CD1 PHE A 458 -2.513 -1.055 2.185 1.00 0.00 C ATOM 545 CD2 PHE A 458 -1.625 -2.884 3.430 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.506 -0.887 3.132 1.00 0.00 C ATOM 547 CE2 PHE A 458 -2.615 -2.721 4.381 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.556 -1.721 4.232 1.00 0.00 C ATOM 0 H PHE A 458 -0.037 -4.676 1.161 1.00 0.00 H new ATOM 0 HA PHE A 458 -1.987 -2.963 -0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 458 0.384 -2.689 1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -0.177 -1.255 0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -2.477 -0.399 1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -0.891 -3.667 3.552 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -4.241 -0.105 3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -2.653 -3.375 5.240 1.00 0.00 H new ATOM 0 HZ PHE A 458 -4.330 -1.591 4.974 1.00 0.00 H new ATOM 558 N SER A 459 0.684 -3.533 -1.665 1.00 0.00 N ATOM 559 CA SER A 459 1.463 -3.235 -2.862 1.00 0.00 C ATOM 560 C SER A 459 0.596 -2.557 -3.919 1.00 0.00 C ATOM 561 O SER A 459 1.043 -1.643 -4.611 1.00 0.00 O ATOM 562 CB SER A 459 2.073 -4.517 -3.432 1.00 0.00 C ATOM 563 OG SER A 459 2.928 -4.232 -4.525 1.00 0.00 O ATOM 0 H SER A 459 0.858 -4.456 -1.268 1.00 0.00 H new ATOM 0 HA SER A 459 2.266 -2.553 -2.583 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.633 -5.035 -2.653 1.00 0.00 H new ATOM 0 HB3 SER A 459 1.278 -5.190 -3.754 1.00 0.00 H new ATOM 0 HG SER A 459 3.307 -5.067 -4.871 1.00 0.00 H new ATOM 569 N ALA A 460 -0.647 -3.012 -4.036 1.00 0.00 N ATOM 570 CA ALA A 460 -1.579 -2.450 -5.006 1.00 0.00 C ATOM 571 C ALA A 460 -1.343 -0.955 -5.190 1.00 0.00 C ATOM 572 O ALA A 460 -1.422 -0.436 -6.304 1.00 0.00 O ATOM 573 CB ALA A 460 -3.014 -2.711 -4.573 1.00 0.00 C ATOM 0 H ALA A 460 -1.032 -3.769 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 460 -1.407 -2.940 -5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -3.699 -2.286 -5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.182 -3.785 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -3.191 -2.249 -3.602 1.00 0.00 H new ATOM 579 N PHE A 461 -1.054 -0.266 -4.091 1.00 0.00 N ATOM 580 CA PHE A 461 -0.809 1.171 -4.131 1.00 0.00 C ATOM 581 C PHE A 461 0.658 1.464 -4.435 1.00 0.00 C ATOM 582 O PHE A 461 0.975 2.198 -5.370 1.00 0.00 O ATOM 583 CB PHE A 461 -1.204 1.814 -2.800 1.00 0.00 C ATOM 584 CG PHE A 461 -2.578 1.429 -2.333 1.00 0.00 C ATOM 585 CD1 PHE A 461 -3.692 1.706 -3.110 1.00 0.00 C ATOM 586 CD2 PHE A 461 -2.757 0.791 -1.116 1.00 0.00 C ATOM 587 CE1 PHE A 461 -4.958 1.352 -2.683 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.021 0.435 -0.684 1.00 0.00 C ATOM 589 CZ PHE A 461 -5.123 0.717 -1.468 1.00 0.00 C ATOM 0 H PHE A 461 -0.984 -0.680 -3.161 1.00 0.00 H new ATOM 0 HA PHE A 461 -1.419 1.597 -4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -0.477 1.530 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -1.154 2.898 -2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -3.569 2.204 -4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -1.899 0.569 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -5.817 1.572 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.147 -0.063 0.266 1.00 0.00 H new ATOM 0 HZ PHE A 461 -6.111 0.441 -1.131 1.00 0.00 H new ATOM 599 N GLY A 462 1.549 0.884 -3.636 1.00 0.00 N ATOM 600 CA GLY A 462 2.971 1.095 -3.835 1.00 0.00 C ATOM 601 C GLY A 462 3.700 1.388 -2.539 1.00 0.00 C ATOM 602 O GLY A 462 3.355 0.847 -1.489 1.00 0.00 O ATOM 0 H GLY A 462 1.311 0.272 -2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 462 3.405 0.210 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 462 3.119 1.924 -4.527 1.00 0.00 H new ATOM 606 N ASN A 463 4.713 2.245 -2.612 1.00 0.00 N ATOM 607 CA ASN A 463 5.495 2.607 -1.435 1.00 0.00 C ATOM 608 C ASN A 463 4.584 3.018 -0.282 1.00 0.00 C ATOM 609 O ASN A 463 3.797 3.957 -0.404 1.00 0.00 O ATOM 610 CB ASN A 463 6.460 3.746 -1.769 1.00 0.00 C ATOM 611 CG ASN A 463 7.759 3.246 -2.370 1.00 0.00 C ATOM 612 OD1 ASN A 463 8.401 2.345 -1.828 1.00 0.00 O ATOM 613 ND2 ASN A 463 8.154 3.830 -3.495 1.00 0.00 N ATOM 0 H ASN A 463 5.012 2.702 -3.474 1.00 0.00 H new ATOM 0 HA ASN A 463 6.069 1.733 -1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 463 5.980 4.432 -2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 463 6.676 4.313 -0.863 1.00 0.00 H new ATOM 0 HD21 ASN A 463 9.021 3.536 -3.945 1.00 0.00 H new ATOM 0 HD22 ASN A 463 7.591 4.573 -3.909 1.00 0.00 H new ATOM 620 N ILE A 464 4.697 2.309 0.836 1.00 0.00 N ATOM 621 CA ILE A 464 3.885 2.601 2.011 1.00 0.00 C ATOM 622 C ILE A 464 4.714 2.510 3.288 1.00 0.00 C ATOM 623 O ILE A 464 5.891 2.155 3.250 1.00 0.00 O ATOM 624 CB ILE A 464 2.687 1.641 2.120 1.00 0.00 C ATOM 625 CG1 ILE A 464 3.166 0.228 2.460 1.00 0.00 C ATOM 626 CG2 ILE A 464 1.890 1.637 0.823 1.00 0.00 C ATOM 627 CD1 ILE A 464 2.074 -0.668 3.000 1.00 0.00 C ATOM 0 H ILE A 464 5.343 1.528 0.953 1.00 0.00 H new ATOM 0 HA ILE A 464 3.514 3.619 1.893 1.00 0.00 H new ATOM 0 HB ILE A 464 2.036 1.987 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 464 3.589 -0.228 1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.968 0.292 3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.046 0.953 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 464 1.521 2.642 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 464 2.531 1.313 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 464 2.486 -1.653 3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 464 1.666 -0.235 3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 464 1.281 -0.763 2.258 1.00 0.00 H new ATOM 639 N GLN A 465 4.089 2.831 4.416 1.00 0.00 N ATOM 640 CA GLN A 465 4.768 2.784 5.705 1.00 0.00 C ATOM 641 C GLN A 465 4.083 1.799 6.646 1.00 0.00 C ATOM 642 O GLN A 465 3.063 2.117 7.257 1.00 0.00 O ATOM 643 CB GLN A 465 4.800 4.176 6.339 1.00 0.00 C ATOM 644 CG GLN A 465 5.680 5.165 5.592 1.00 0.00 C ATOM 645 CD GLN A 465 5.480 6.593 6.060 1.00 0.00 C ATOM 646 OE1 GLN A 465 5.039 7.452 5.297 1.00 0.00 O ATOM 647 NE2 GLN A 465 5.804 6.854 7.321 1.00 0.00 N ATOM 0 H GLN A 465 3.114 3.126 4.463 1.00 0.00 H new ATOM 0 HA GLN A 465 5.790 2.445 5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 465 3.784 4.569 6.385 1.00 0.00 H new ATOM 0 HB3 GLN A 465 5.155 4.090 7.366 1.00 0.00 H new ATOM 0 HG2 GLN A 465 6.726 4.887 5.724 1.00 0.00 H new ATOM 0 HG3 GLN A 465 5.465 5.103 4.525 1.00 0.00 H new ATOM 0 HE21 GLN A 465 6.166 6.111 7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 465 5.691 7.797 7.692 1.00 0.00 H new ATOM 656 N ILE A 466 4.650 0.602 6.757 1.00 0.00 N ATOM 657 CA ILE A 466 4.094 -0.429 7.624 1.00 0.00 C ATOM 658 C ILE A 466 4.570 -0.253 9.062 1.00 0.00 C ATOM 659 O ILE A 466 5.701 -0.602 9.400 1.00 0.00 O ATOM 660 CB ILE A 466 4.476 -1.839 7.138 1.00 0.00 C ATOM 661 CG1 ILE A 466 3.991 -2.056 5.703 1.00 0.00 C ATOM 662 CG2 ILE A 466 3.892 -2.895 8.065 1.00 0.00 C ATOM 663 CD1 ILE A 466 4.694 -3.192 4.993 1.00 0.00 C ATOM 0 H ILE A 466 5.494 0.323 6.257 1.00 0.00 H new ATOM 0 HA ILE A 466 3.010 -0.322 7.587 1.00 0.00 H new ATOM 0 HB ILE A 466 5.562 -1.931 7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 466 2.919 -2.254 5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 466 4.138 -1.137 5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 466 4.171 -3.887 7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 466 4.281 -2.749 9.073 1.00 0.00 H new ATOM 0 HG23 ILE A 466 2.806 -2.806 8.079 1.00 0.00 H new ATOM 0 HD11 ILE A 466 4.300 -3.288 3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 466 5.763 -2.986 4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 466 4.526 -4.121 5.538 1.00 0.00 H new ATOM 675 N SER A 467 3.698 0.288 9.907 1.00 0.00 N ATOM 676 CA SER A 467 4.029 0.512 11.309 1.00 0.00 C ATOM 677 C SER A 467 3.607 -0.679 12.164 1.00 0.00 C ATOM 678 O SER A 467 2.417 -0.941 12.339 1.00 0.00 O ATOM 679 CB SER A 467 3.351 1.786 11.818 1.00 0.00 C ATOM 680 OG SER A 467 4.181 2.918 11.625 1.00 0.00 O ATOM 0 H SER A 467 2.756 0.579 9.645 1.00 0.00 H new ATOM 0 HA SER A 467 5.110 0.628 11.387 1.00 0.00 H new ATOM 0 HB2 SER A 467 2.405 1.932 11.296 1.00 0.00 H new ATOM 0 HB3 SER A 467 3.117 1.679 12.877 1.00 0.00 H new ATOM 0 HG SER A 467 3.724 3.719 11.957 1.00 0.00 H new ATOM 686 N TRP A 468 4.591 -1.396 12.693 1.00 0.00 N ATOM 687 CA TRP A 468 4.323 -2.561 13.530 1.00 0.00 C ATOM 688 C TRP A 468 3.944 -2.138 14.945 1.00 0.00 C ATOM 689 O TRP A 468 4.785 -1.654 15.704 1.00 0.00 O ATOM 690 CB TRP A 468 5.546 -3.479 13.569 1.00 0.00 C ATOM 691 CG TRP A 468 5.823 -4.155 12.260 1.00 0.00 C ATOM 692 CD1 TRP A 468 6.518 -3.641 11.203 1.00 0.00 C ATOM 693 CD2 TRP A 468 5.407 -5.468 11.869 1.00 0.00 C ATOM 694 NE1 TRP A 468 6.561 -4.556 10.179 1.00 0.00 N ATOM 695 CE2 TRP A 468 5.887 -5.686 10.563 1.00 0.00 C ATOM 696 CE3 TRP A 468 4.679 -6.483 12.496 1.00 0.00 C ATOM 697 CZ2 TRP A 468 5.660 -6.875 9.875 1.00 0.00 C ATOM 698 CZ3 TRP A 468 4.454 -7.662 11.812 1.00 0.00 C ATOM 699 CH2 TRP A 468 4.944 -7.850 10.513 1.00 0.00 C ATOM 0 H TRP A 468 5.581 -1.192 12.558 1.00 0.00 H new ATOM 0 HA TRP A 468 3.484 -3.104 13.096 1.00 0.00 H new ATOM 0 HB2 TRP A 468 6.420 -2.896 13.861 1.00 0.00 H new ATOM 0 HB3 TRP A 468 5.398 -4.238 14.337 1.00 0.00 H new ATOM 0 HD1 TRP A 468 6.968 -2.659 11.176 1.00 0.00 H new ATOM 0 HE1 TRP A 468 7.020 -4.417 9.279 1.00 0.00 H new ATOM 0 HE3 TRP A 468 4.299 -6.348 13.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 6.036 -7.022 8.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 3.891 -8.452 12.287 1.00 0.00 H new ATOM 0 HH2 TRP A 468 4.752 -8.784 10.005 1.00 0.00 H new ATOM 710 N ILE A 469 2.676 -2.324 15.294 1.00 0.00 N ATOM 711 CA ILE A 469 2.187 -1.962 16.619 1.00 0.00 C ATOM 712 C ILE A 469 2.326 -3.128 17.592 1.00 0.00 C ATOM 713 O ILE A 469 3.158 -3.096 18.500 1.00 0.00 O ATOM 714 CB ILE A 469 0.713 -1.519 16.574 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.478 -0.574 15.394 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.322 -0.849 17.882 1.00 0.00 C ATOM 717 CD1 ILE A 469 -0.920 -0.656 14.823 1.00 0.00 C ATOM 0 H ILE A 469 1.968 -2.723 14.678 1.00 0.00 H new ATOM 0 HA ILE A 469 2.798 -1.128 16.964 1.00 0.00 H new ATOM 0 HB ILE A 469 0.087 -2.401 16.439 1.00 0.00 H new ATOM 0 HG12 ILE A 469 0.671 0.450 15.715 1.00 0.00 H new ATOM 0 HG13 ILE A 469 1.197 -0.803 14.607 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.723 -0.541 17.835 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.457 -1.551 18.705 1.00 0.00 H new ATOM 0 HG23 ILE A 469 0.951 0.026 18.045 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -1.014 0.041 13.990 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -1.110 -1.670 14.471 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -1.644 -0.398 15.596 1.00 0.00 H new ATOM 729 N ASP A 470 1.508 -4.156 17.397 1.00 0.00 N ATOM 730 CA ASP A 470 1.541 -5.334 18.256 1.00 0.00 C ATOM 731 C ASP A 470 1.912 -6.579 17.456 1.00 0.00 C ATOM 732 O ASP A 470 2.229 -6.495 16.270 1.00 0.00 O ATOM 733 CB ASP A 470 0.186 -5.534 18.936 1.00 0.00 C ATOM 734 CG ASP A 470 0.300 -6.294 20.243 1.00 0.00 C ATOM 735 OD1 ASP A 470 0.650 -5.667 21.265 1.00 0.00 O ATOM 736 OD2 ASP A 470 0.040 -7.515 20.243 1.00 0.00 O ATOM 0 H ASP A 470 0.813 -4.198 16.651 1.00 0.00 H new ATOM 0 HA ASP A 470 2.302 -5.175 19.020 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -0.270 -4.562 19.123 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -0.479 -6.074 18.262 1.00 0.00 H new ATOM 741 N ASP A 471 1.870 -7.732 18.114 1.00 0.00 N ATOM 742 CA ASP A 471 2.201 -8.995 17.465 1.00 0.00 C ATOM 743 C ASP A 471 1.213 -9.307 16.346 1.00 0.00 C ATOM 744 O ASP A 471 1.557 -9.964 15.362 1.00 0.00 O ATOM 745 CB ASP A 471 2.208 -10.133 18.488 1.00 0.00 C ATOM 746 CG ASP A 471 3.007 -9.790 19.729 1.00 0.00 C ATOM 747 OD1 ASP A 471 4.038 -9.097 19.599 1.00 0.00 O ATOM 748 OD2 ASP A 471 2.601 -10.214 20.831 1.00 0.00 O ATOM 0 H ASP A 471 1.610 -7.818 19.097 1.00 0.00 H new ATOM 0 HA ASP A 471 3.196 -8.901 17.031 1.00 0.00 H new ATOM 0 HB2 ASP A 471 1.182 -10.368 18.773 1.00 0.00 H new ATOM 0 HB3 ASP A 471 2.624 -11.029 18.028 1.00 0.00 H new ATOM 753 N THR A 472 -0.019 -8.832 16.502 1.00 0.00 N ATOM 754 CA THR A 472 -1.059 -9.062 15.506 1.00 0.00 C ATOM 755 C THR A 472 -1.735 -7.755 15.107 1.00 0.00 C ATOM 756 O THR A 472 -2.820 -7.760 14.525 1.00 0.00 O ATOM 757 CB THR A 472 -2.127 -10.042 16.026 1.00 0.00 C ATOM 758 OG1 THR A 472 -2.701 -9.544 17.239 1.00 0.00 O ATOM 759 CG2 THR A 472 -1.526 -11.418 16.270 1.00 0.00 C ATOM 0 H THR A 472 -0.321 -8.286 17.309 1.00 0.00 H new ATOM 0 HA THR A 472 -0.572 -9.497 14.633 1.00 0.00 H new ATOM 0 HB THR A 472 -2.905 -10.132 15.268 1.00 0.00 H new ATOM 0 HG1 THR A 472 -3.380 -10.172 17.562 1.00 0.00 H new ATOM 0 HG21 THR A 472 -2.299 -12.093 16.637 1.00 0.00 H new ATOM 0 HG22 THR A 472 -1.117 -11.807 15.337 1.00 0.00 H new ATOM 0 HG23 THR A 472 -0.730 -11.341 17.011 1.00 0.00 H new ATOM 767 N SER A 473 -1.088 -6.638 15.422 1.00 0.00 N ATOM 768 CA SER A 473 -1.629 -5.323 15.098 1.00 0.00 C ATOM 769 C SER A 473 -0.623 -4.505 14.295 1.00 0.00 C ATOM 770 O SER A 473 0.562 -4.462 14.623 1.00 0.00 O ATOM 771 CB SER A 473 -2.007 -4.575 16.378 1.00 0.00 C ATOM 772 OG SER A 473 -3.006 -3.602 16.123 1.00 0.00 O ATOM 0 H SER A 473 -0.188 -6.617 15.901 1.00 0.00 H new ATOM 0 HA SER A 473 -2.523 -5.464 14.491 1.00 0.00 H new ATOM 0 HB2 SER A 473 -2.367 -5.283 17.124 1.00 0.00 H new ATOM 0 HB3 SER A 473 -1.123 -4.093 16.796 1.00 0.00 H new ATOM 0 HG SER A 473 -3.232 -3.139 16.957 1.00 0.00 H new ATOM 778 N ALA A 474 -1.106 -3.856 13.240 1.00 0.00 N ATOM 779 CA ALA A 474 -0.250 -3.036 12.390 1.00 0.00 C ATOM 780 C ALA A 474 -0.979 -1.780 11.927 1.00 0.00 C ATOM 781 O ALA A 474 -2.186 -1.641 12.126 1.00 0.00 O ATOM 782 CB ALA A 474 0.231 -3.842 11.193 1.00 0.00 C ATOM 0 H ALA A 474 -2.085 -3.882 12.954 1.00 0.00 H new ATOM 0 HA ALA A 474 0.615 -2.726 12.977 1.00 0.00 H new ATOM 0 HB1 ALA A 474 0.869 -3.218 10.567 1.00 0.00 H new ATOM 0 HB2 ALA A 474 0.797 -4.706 11.540 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -0.628 -4.180 10.613 1.00 0.00 H new ATOM 788 N PHE A 475 -0.239 -0.866 11.308 1.00 0.00 N ATOM 789 CA PHE A 475 -0.815 0.381 10.818 1.00 0.00 C ATOM 790 C PHE A 475 -0.401 0.639 9.372 1.00 0.00 C ATOM 791 O PHE A 475 0.706 0.293 8.960 1.00 0.00 O ATOM 792 CB PHE A 475 -0.379 1.551 11.702 1.00 0.00 C ATOM 793 CG PHE A 475 -1.324 1.830 12.836 1.00 0.00 C ATOM 794 CD1 PHE A 475 -2.692 1.871 12.621 1.00 0.00 C ATOM 795 CD2 PHE A 475 -0.843 2.053 14.116 1.00 0.00 C ATOM 796 CE1 PHE A 475 -3.564 2.127 13.662 1.00 0.00 C ATOM 797 CE2 PHE A 475 -1.711 2.309 15.161 1.00 0.00 C ATOM 798 CZ PHE A 475 -3.073 2.348 14.934 1.00 0.00 C ATOM 0 H PHE A 475 0.761 -0.965 11.134 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.901 0.291 10.856 1.00 0.00 H new ATOM 0 HB2 PHE A 475 0.611 1.340 12.108 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -0.288 2.446 11.087 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -3.082 1.701 11.628 1.00 0.00 H new ATOM 0 HD2 PHE A 475 0.221 2.027 14.299 1.00 0.00 H new ATOM 0 HE1 PHE A 475 -4.628 2.154 13.481 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -1.324 2.479 16.155 1.00 0.00 H new ATOM 0 HZ PHE A 475 -3.752 2.551 15.749 1.00 0.00 H new ATOM 808 N VAL A 476 -1.299 1.250 8.606 1.00 0.00 N ATOM 809 CA VAL A 476 -1.029 1.556 7.206 1.00 0.00 C ATOM 810 C VAL A 476 -1.437 2.986 6.868 1.00 0.00 C ATOM 811 O VAL A 476 -2.615 3.337 6.927 1.00 0.00 O ATOM 812 CB VAL A 476 -1.770 0.586 6.267 1.00 0.00 C ATOM 813 CG1 VAL A 476 -1.534 0.966 4.813 1.00 0.00 C ATOM 814 CG2 VAL A 476 -1.334 -0.847 6.530 1.00 0.00 C ATOM 0 H VAL A 476 -2.220 1.543 8.931 1.00 0.00 H new ATOM 0 HA VAL A 476 0.045 1.443 7.058 1.00 0.00 H new ATOM 0 HB VAL A 476 -2.839 0.659 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -2.065 0.270 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.900 1.977 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.467 0.924 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -1.868 -1.519 5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -0.261 -0.938 6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -1.560 -1.112 7.563 1.00 0.00 H new ATOM 824 N SER A 477 -0.454 3.807 6.511 1.00 0.00 N ATOM 825 CA SER A 477 -0.709 5.200 6.166 1.00 0.00 C ATOM 826 C SER A 477 -0.573 5.421 4.662 1.00 0.00 C ATOM 827 O SER A 477 0.286 4.825 4.011 1.00 0.00 O ATOM 828 CB SER A 477 0.256 6.119 6.917 1.00 0.00 C ATOM 829 OG SER A 477 0.074 7.471 6.534 1.00 0.00 O ATOM 0 H SER A 477 0.526 3.531 6.453 1.00 0.00 H new ATOM 0 HA SER A 477 -1.731 5.440 6.460 1.00 0.00 H new ATOM 0 HB2 SER A 477 0.099 6.017 7.991 1.00 0.00 H new ATOM 0 HB3 SER A 477 1.283 5.816 6.715 1.00 0.00 H new ATOM 0 HG SER A 477 0.701 8.039 7.029 1.00 0.00 H new ATOM 835 N LEU A 478 -1.426 6.281 4.117 1.00 0.00 N ATOM 836 CA LEU A 478 -1.402 6.582 2.690 1.00 0.00 C ATOM 837 C LEU A 478 -1.227 8.078 2.452 1.00 0.00 C ATOM 838 O LEU A 478 -1.144 8.862 3.398 1.00 0.00 O ATOM 839 CB LEU A 478 -2.690 6.095 2.024 1.00 0.00 C ATOM 840 CG LEU A 478 -2.992 4.602 2.158 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.350 4.276 1.555 1.00 0.00 C ATOM 842 CD2 LEU A 478 -1.900 3.776 1.495 1.00 0.00 C ATOM 0 H LEU A 478 -2.143 6.782 4.642 1.00 0.00 H new ATOM 0 HA LEU A 478 -0.553 6.061 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -3.526 6.654 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -2.643 6.342 0.963 1.00 0.00 H new ATOM 0 HG LEU A 478 -3.018 4.349 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.548 3.209 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -5.124 4.841 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.353 4.544 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -2.131 2.716 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -1.842 4.032 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -0.943 3.988 1.972 1.00 0.00 H new ATOM 854 N SER A 479 -1.174 8.468 1.182 1.00 0.00 N ATOM 855 CA SER A 479 -1.008 9.871 0.820 1.00 0.00 C ATOM 856 C SER A 479 -2.361 10.531 0.568 1.00 0.00 C ATOM 857 O SER A 479 -2.593 11.668 0.976 1.00 0.00 O ATOM 858 CB SER A 479 -0.127 9.997 -0.425 1.00 0.00 C ATOM 859 OG SER A 479 1.092 9.293 -0.260 1.00 0.00 O ATOM 0 H SER A 479 -1.244 7.833 0.387 1.00 0.00 H new ATOM 0 HA SER A 479 -0.524 10.381 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 479 -0.660 9.609 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 479 0.081 11.049 -0.623 1.00 0.00 H new ATOM 0 HG SER A 479 1.636 9.387 -1.069 1.00 0.00 H new ATOM 865 N GLN A 480 -3.249 9.807 -0.106 1.00 0.00 N ATOM 866 CA GLN A 480 -4.578 10.322 -0.414 1.00 0.00 C ATOM 867 C GLN A 480 -5.657 9.480 0.258 1.00 0.00 C ATOM 868 O GLN A 480 -5.540 8.260 0.380 1.00 0.00 O ATOM 869 CB GLN A 480 -4.802 10.346 -1.927 1.00 0.00 C ATOM 870 CG GLN A 480 -3.933 11.360 -2.654 1.00 0.00 C ATOM 871 CD GLN A 480 -4.338 11.542 -4.103 1.00 0.00 C ATOM 872 OE1 GLN A 480 -5.440 11.166 -4.504 1.00 0.00 O ATOM 873 NE2 GLN A 480 -3.447 12.122 -4.899 1.00 0.00 N ATOM 0 H GLN A 480 -3.072 8.863 -0.449 1.00 0.00 H new ATOM 0 HA GLN A 480 -4.644 11.339 -0.028 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -4.603 9.353 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.850 10.568 -2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -3.994 12.319 -2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -2.892 11.040 -2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -2.546 12.418 -4.525 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -3.664 12.271 -5.884 1.00 0.00 H new ATOM 882 N PRO A 481 -6.733 10.143 0.707 1.00 0.00 N ATOM 883 CA PRO A 481 -7.854 9.475 1.374 1.00 0.00 C ATOM 884 C PRO A 481 -8.665 8.608 0.417 1.00 0.00 C ATOM 885 O PRO A 481 -9.355 7.681 0.839 1.00 0.00 O ATOM 886 CB PRO A 481 -8.703 10.638 1.892 1.00 0.00 C ATOM 887 CG PRO A 481 -8.379 11.776 0.987 1.00 0.00 C ATOM 888 CD PRO A 481 -6.939 11.597 0.596 1.00 0.00 C ATOM 0 HA PRO A 481 -7.516 8.795 2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -9.766 10.397 1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -8.460 10.875 2.928 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -9.025 11.773 0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -8.531 12.731 1.491 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -6.750 11.953 -0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -6.271 12.149 1.258 1.00 0.00 H new ATOM 896 N GLU A 482 -8.576 8.916 -0.873 1.00 0.00 N ATOM 897 CA GLU A 482 -9.303 8.164 -1.889 1.00 0.00 C ATOM 898 C GLU A 482 -8.991 6.674 -1.791 1.00 0.00 C ATOM 899 O GLU A 482 -9.893 5.837 -1.827 1.00 0.00 O ATOM 900 CB GLU A 482 -8.950 8.679 -3.286 1.00 0.00 C ATOM 901 CG GLU A 482 -9.743 9.907 -3.701 1.00 0.00 C ATOM 902 CD GLU A 482 -11.063 9.554 -4.359 1.00 0.00 C ATOM 903 OE1 GLU A 482 -11.059 9.251 -5.570 1.00 0.00 O ATOM 904 OE2 GLU A 482 -12.099 9.581 -3.662 1.00 0.00 O ATOM 0 H GLU A 482 -8.008 9.680 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 482 -10.370 8.306 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -7.887 8.916 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -9.122 7.884 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -9.933 10.526 -2.824 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -9.146 10.505 -4.390 1.00 0.00 H new ATOM 911 N GLN A 483 -7.707 6.351 -1.667 1.00 0.00 N ATOM 912 CA GLN A 483 -7.276 4.962 -1.564 1.00 0.00 C ATOM 913 C GLN A 483 -8.044 4.233 -0.466 1.00 0.00 C ATOM 914 O GLN A 483 -8.423 3.073 -0.625 1.00 0.00 O ATOM 915 CB GLN A 483 -5.774 4.891 -1.285 1.00 0.00 C ATOM 916 CG GLN A 483 -4.923 4.853 -2.544 1.00 0.00 C ATOM 917 CD GLN A 483 -3.437 4.840 -2.244 1.00 0.00 C ATOM 918 OE1 GLN A 483 -3.020 4.523 -1.130 1.00 0.00 O ATOM 919 NE2 GLN A 483 -2.628 5.185 -3.239 1.00 0.00 N ATOM 0 H GLN A 483 -6.948 7.032 -1.636 1.00 0.00 H new ATOM 0 HA GLN A 483 -7.485 4.472 -2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.483 5.754 -0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.565 4.003 -0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -5.180 3.967 -3.125 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -5.157 5.719 -3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -3.016 5.441 -4.147 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -1.618 5.194 -3.095 1.00 0.00 H new ATOM 928 N VAL A 484 -8.269 4.922 0.648 1.00 0.00 N ATOM 929 CA VAL A 484 -8.992 4.340 1.773 1.00 0.00 C ATOM 930 C VAL A 484 -10.268 3.648 1.307 1.00 0.00 C ATOM 931 O VAL A 484 -10.604 2.562 1.780 1.00 0.00 O ATOM 932 CB VAL A 484 -9.355 5.410 2.821 1.00 0.00 C ATOM 933 CG1 VAL A 484 -10.174 4.798 3.947 1.00 0.00 C ATOM 934 CG2 VAL A 484 -8.097 6.071 3.363 1.00 0.00 C ATOM 0 H VAL A 484 -7.961 5.883 0.796 1.00 0.00 H new ATOM 0 HA VAL A 484 -8.329 3.605 2.229 1.00 0.00 H new ATOM 0 HB VAL A 484 -9.962 6.176 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 484 -10.421 5.568 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 484 -11.093 4.375 3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -9.596 4.011 4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -8.371 6.824 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -7.463 5.318 3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -7.554 6.546 2.545 1.00 0.00 H new ATOM 944 N GLN A 485 -10.974 4.283 0.378 1.00 0.00 N ATOM 945 CA GLN A 485 -12.214 3.728 -0.152 1.00 0.00 C ATOM 946 C GLN A 485 -11.983 2.335 -0.729 1.00 0.00 C ATOM 947 O GLN A 485 -12.855 1.468 -0.651 1.00 0.00 O ATOM 948 CB GLN A 485 -12.792 4.649 -1.228 1.00 0.00 C ATOM 949 CG GLN A 485 -14.158 4.213 -1.731 1.00 0.00 C ATOM 950 CD GLN A 485 -15.167 4.045 -0.612 1.00 0.00 C ATOM 951 OE1 GLN A 485 -15.985 4.930 -0.360 1.00 0.00 O ATOM 952 NE2 GLN A 485 -15.113 2.906 0.067 1.00 0.00 N ATOM 0 H GLN A 485 -10.709 5.182 -0.024 1.00 0.00 H new ATOM 0 HA GLN A 485 -12.927 3.649 0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 485 -12.867 5.660 -0.827 1.00 0.00 H new ATOM 0 HB3 GLN A 485 -12.100 4.690 -2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 485 -14.530 4.949 -2.443 1.00 0.00 H new ATOM 0 HG3 GLN A 485 -14.059 3.271 -2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 485 -14.418 2.200 -0.176 1.00 0.00 H new ATOM 0 HE22 GLN A 485 -15.766 2.737 0.832 1.00 0.00 H new ATOM 961 N ILE A 486 -10.805 2.127 -1.307 1.00 0.00 N ATOM 962 CA ILE A 486 -10.461 0.839 -1.896 1.00 0.00 C ATOM 963 C ILE A 486 -9.997 -0.147 -0.830 1.00 0.00 C ATOM 964 O ILE A 486 -10.496 -1.269 -0.748 1.00 0.00 O ATOM 965 CB ILE A 486 -9.357 0.984 -2.961 1.00 0.00 C ATOM 966 CG1 ILE A 486 -9.857 1.830 -4.133 1.00 0.00 C ATOM 967 CG2 ILE A 486 -8.904 -0.386 -3.444 1.00 0.00 C ATOM 968 CD1 ILE A 486 -9.593 3.310 -3.967 1.00 0.00 C ATOM 0 H ILE A 486 -10.073 2.834 -1.380 1.00 0.00 H new ATOM 0 HA ILE A 486 -11.365 0.458 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 486 -8.503 1.490 -2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -9.379 1.485 -5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -10.929 1.672 -4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -8.124 -0.267 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -8.513 -0.957 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -9.751 -0.916 -3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -9.974 3.847 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -10.094 3.670 -3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -8.520 3.480 -3.877 1.00 0.00 H new ATOM 980 N ALA A 487 -9.039 0.281 -0.013 1.00 0.00 N ATOM 981 CA ALA A 487 -8.510 -0.563 1.051 1.00 0.00 C ATOM 982 C ALA A 487 -9.635 -1.151 1.896 1.00 0.00 C ATOM 983 O ALA A 487 -9.532 -2.274 2.391 1.00 0.00 O ATOM 984 CB ALA A 487 -7.550 0.230 1.925 1.00 0.00 C ATOM 0 H ALA A 487 -8.614 1.207 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 487 -7.967 -1.389 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.162 -0.413 2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -6.723 0.597 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.076 1.075 2.369 1.00 0.00 H new ATOM 990 N VAL A 488 -10.709 -0.385 2.059 1.00 0.00 N ATOM 991 CA VAL A 488 -11.854 -0.830 2.844 1.00 0.00 C ATOM 992 C VAL A 488 -12.768 -1.731 2.021 1.00 0.00 C ATOM 993 O VAL A 488 -13.114 -2.833 2.444 1.00 0.00 O ATOM 994 CB VAL A 488 -12.670 0.364 3.374 1.00 0.00 C ATOM 995 CG1 VAL A 488 -13.775 -0.115 4.303 1.00 0.00 C ATOM 996 CG2 VAL A 488 -11.761 1.358 4.081 1.00 0.00 C ATOM 0 H VAL A 488 -10.810 0.547 1.658 1.00 0.00 H new ATOM 0 HA VAL A 488 -11.458 -1.393 3.689 1.00 0.00 H new ATOM 0 HB VAL A 488 -13.134 0.870 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 488 -14.341 0.742 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 488 -14.441 -0.785 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 488 -13.336 -0.646 5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 488 -12.354 2.195 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 488 -11.267 0.867 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 488 -11.010 1.725 3.382 1.00 0.00 H new ATOM 1006 N ASN A 489 -13.155 -1.254 0.843 1.00 0.00 N ATOM 1007 CA ASN A 489 -14.029 -2.017 -0.041 1.00 0.00 C ATOM 1008 C ASN A 489 -13.528 -3.449 -0.198 1.00 0.00 C ATOM 1009 O ASN A 489 -14.307 -4.402 -0.144 1.00 0.00 O ATOM 1010 CB ASN A 489 -14.118 -1.343 -1.411 1.00 0.00 C ATOM 1011 CG ASN A 489 -15.152 -1.993 -2.310 1.00 0.00 C ATOM 1012 OD1 ASN A 489 -16.153 -2.530 -1.836 1.00 0.00 O ATOM 1013 ND2 ASN A 489 -14.912 -1.949 -3.616 1.00 0.00 N ATOM 0 H ASN A 489 -12.877 -0.343 0.478 1.00 0.00 H new ATOM 0 HA ASN A 489 -15.022 -2.045 0.407 1.00 0.00 H new ATOM 0 HB2 ASN A 489 -14.366 -0.290 -1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 489 -13.143 -1.382 -1.896 1.00 0.00 H new ATOM 0 HD21 ASN A 489 -15.571 -2.371 -4.270 1.00 0.00 H new ATOM 0 HD22 ASN A 489 -14.069 -1.493 -3.964 1.00 0.00 H new ATOM 1020 N THR A 490 -12.221 -3.596 -0.392 1.00 0.00 N ATOM 1021 CA THR A 490 -11.615 -4.911 -0.558 1.00 0.00 C ATOM 1022 C THR A 490 -11.662 -5.705 0.742 1.00 0.00 C ATOM 1023 O THR A 490 -11.960 -6.900 0.740 1.00 0.00 O ATOM 1024 CB THR A 490 -10.152 -4.800 -1.026 1.00 0.00 C ATOM 1025 OG1 THR A 490 -9.414 -3.958 -0.134 1.00 0.00 O ATOM 1026 CG2 THR A 490 -10.077 -4.241 -2.439 1.00 0.00 C ATOM 0 H THR A 490 -11.561 -2.819 -0.438 1.00 0.00 H new ATOM 0 HA THR A 490 -12.194 -5.432 -1.320 1.00 0.00 H new ATOM 0 HB THR A 490 -9.716 -5.799 -1.024 1.00 0.00 H new ATOM 0 HG1 THR A 490 -9.625 -3.019 -0.321 1.00 0.00 H new ATOM 0 HG21 THR A 490 -9.034 -4.172 -2.748 1.00 0.00 H new ATOM 0 HG22 THR A 490 -10.614 -4.901 -3.120 1.00 0.00 H new ATOM 0 HG23 THR A 490 -10.529 -3.249 -2.462 1.00 0.00 H new ATOM 1034 N SER A 491 -11.368 -5.035 1.851 1.00 0.00 N ATOM 1035 CA SER A 491 -11.374 -5.680 3.159 1.00 0.00 C ATOM 1036 C SER A 491 -12.769 -6.189 3.507 1.00 0.00 C ATOM 1037 O SER A 491 -12.922 -7.237 4.134 1.00 0.00 O ATOM 1038 CB SER A 491 -10.891 -4.704 4.234 1.00 0.00 C ATOM 1039 OG SER A 491 -11.840 -3.674 4.452 1.00 0.00 O ATOM 0 H SER A 491 -11.122 -4.045 1.870 1.00 0.00 H new ATOM 0 HA SER A 491 -10.695 -6.532 3.120 1.00 0.00 H new ATOM 0 HB2 SER A 491 -10.714 -5.242 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 491 -9.939 -4.268 3.932 1.00 0.00 H new ATOM 0 HG SER A 491 -12.265 -3.435 3.602 1.00 0.00 H new ATOM 1045 N LYS A 492 -13.785 -5.438 3.097 1.00 0.00 N ATOM 1046 CA LYS A 492 -15.170 -5.811 3.363 1.00 0.00 C ATOM 1047 C LYS A 492 -15.372 -7.313 3.187 1.00 0.00 C ATOM 1048 O LYS A 492 -15.755 -8.011 4.126 1.00 0.00 O ATOM 1049 CB LYS A 492 -16.114 -5.046 2.432 1.00 0.00 C ATOM 1050 CG LYS A 492 -16.334 -3.601 2.843 1.00 0.00 C ATOM 1051 CD LYS A 492 -17.488 -3.470 3.824 1.00 0.00 C ATOM 1052 CE LYS A 492 -17.028 -3.689 5.257 1.00 0.00 C ATOM 1053 NZ LYS A 492 -17.862 -2.929 6.229 1.00 0.00 N ATOM 0 H LYS A 492 -13.676 -4.566 2.579 1.00 0.00 H new ATOM 0 HA LYS A 492 -15.398 -5.550 4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -15.710 -5.070 1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -17.076 -5.557 2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -15.424 -3.208 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -16.537 -2.997 1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -17.935 -2.480 3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -18.263 -4.195 3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -17.072 -4.752 5.494 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -15.986 -3.383 5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -17.517 -3.104 7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -17.800 -1.912 6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -18.852 -3.239 6.154 1.00 0.00 H new ATOM 1067 N TYR A 493 -15.111 -7.803 1.981 1.00 0.00 N ATOM 1068 CA TYR A 493 -15.265 -9.222 1.682 1.00 0.00 C ATOM 1069 C TYR A 493 -14.135 -10.035 2.305 1.00 0.00 C ATOM 1070 O TYR A 493 -14.365 -11.098 2.882 1.00 0.00 O ATOM 1071 CB TYR A 493 -15.296 -9.446 0.169 1.00 0.00 C ATOM 1072 CG TYR A 493 -13.929 -9.401 -0.477 1.00 0.00 C ATOM 1073 CD1 TYR A 493 -13.099 -10.515 -0.469 1.00 0.00 C ATOM 1074 CD2 TYR A 493 -13.469 -8.245 -1.095 1.00 0.00 C ATOM 1075 CE1 TYR A 493 -11.849 -10.478 -1.058 1.00 0.00 C ATOM 1076 CE2 TYR A 493 -12.222 -8.200 -1.688 1.00 0.00 C ATOM 1077 CZ TYR A 493 -11.416 -9.319 -1.666 1.00 0.00 C ATOM 1078 OH TYR A 493 -10.172 -9.278 -2.254 1.00 0.00 O ATOM 0 H TYR A 493 -14.792 -7.239 1.194 1.00 0.00 H new ATOM 0 HA TYR A 493 -16.209 -9.557 2.111 1.00 0.00 H new ATOM 0 HB2 TYR A 493 -15.755 -10.413 -0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 493 -15.931 -8.688 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 493 -13.436 -11.425 0.005 1.00 0.00 H new ATOM 0 HD2 TYR A 493 -14.097 -7.366 -1.112 1.00 0.00 H new ATOM 0 HE1 TYR A 493 -11.215 -11.352 -1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 493 -11.880 -7.294 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 493 -10.021 -8.389 -2.638 1.00 0.00 H new ATOM 1088 N ALA A 494 -12.913 -9.527 2.185 1.00 0.00 N ATOM 1089 CA ALA A 494 -11.746 -10.204 2.738 1.00 0.00 C ATOM 1090 C ALA A 494 -12.002 -10.655 4.172 1.00 0.00 C ATOM 1091 O ALA A 494 -12.299 -9.839 5.044 1.00 0.00 O ATOM 1092 CB ALA A 494 -10.529 -9.293 2.678 1.00 0.00 C ATOM 0 H ALA A 494 -12.705 -8.649 1.710 1.00 0.00 H new ATOM 0 HA ALA A 494 -11.551 -11.091 2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -9.665 -9.812 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -10.326 -9.025 1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -10.722 -8.389 3.256 1.00 0.00 H new ATOM 1098 N GLU A 495 -11.884 -11.958 4.408 1.00 0.00 N ATOM 1099 CA GLU A 495 -12.104 -12.515 5.738 1.00 0.00 C ATOM 1100 C GLU A 495 -10.778 -12.747 6.457 1.00 0.00 C ATOM 1101 O GLU A 495 -10.643 -12.447 7.643 1.00 0.00 O ATOM 1102 CB GLU A 495 -12.881 -13.830 5.641 1.00 0.00 C ATOM 1103 CG GLU A 495 -12.209 -14.871 4.762 1.00 0.00 C ATOM 1104 CD GLU A 495 -12.960 -16.188 4.739 1.00 0.00 C ATOM 1105 OE1 GLU A 495 -14.148 -16.186 4.352 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -12.361 -17.220 5.107 1.00 0.00 O ATOM 0 H GLU A 495 -11.638 -12.647 3.697 1.00 0.00 H new ATOM 0 HA GLU A 495 -12.688 -11.797 6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 495 -13.010 -14.241 6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 495 -13.878 -13.625 5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 495 -12.128 -14.485 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 495 -11.194 -15.042 5.120 1.00 0.00 H new ATOM 1113 N SER A 496 -9.803 -13.283 5.730 1.00 0.00 N ATOM 1114 CA SER A 496 -8.489 -13.560 6.299 1.00 0.00 C ATOM 1115 C SER A 496 -7.970 -12.355 7.078 1.00 0.00 C ATOM 1116 O SER A 496 -7.543 -12.482 8.226 1.00 0.00 O ATOM 1117 CB SER A 496 -7.499 -13.931 5.193 1.00 0.00 C ATOM 1118 OG SER A 496 -7.994 -14.998 4.403 1.00 0.00 O ATOM 0 H SER A 496 -9.898 -13.534 4.746 1.00 0.00 H new ATOM 0 HA SER A 496 -8.587 -14.401 6.986 1.00 0.00 H new ATOM 0 HB2 SER A 496 -7.312 -13.063 4.561 1.00 0.00 H new ATOM 0 HB3 SER A 496 -6.544 -14.214 5.635 1.00 0.00 H new ATOM 0 HG SER A 496 -7.344 -15.215 3.702 1.00 0.00 H new ATOM 1124 N TYR A 497 -8.011 -11.188 6.446 1.00 0.00 N ATOM 1125 CA TYR A 497 -7.543 -9.960 7.078 1.00 0.00 C ATOM 1126 C TYR A 497 -8.679 -8.951 7.216 1.00 0.00 C ATOM 1127 O TYR A 497 -9.628 -8.958 6.432 1.00 0.00 O ATOM 1128 CB TYR A 497 -6.398 -9.349 6.268 1.00 0.00 C ATOM 1129 CG TYR A 497 -6.812 -8.889 4.888 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -7.516 -7.704 4.712 1.00 0.00 C ATOM 1131 CD2 TYR A 497 -6.498 -9.639 3.761 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -7.896 -7.280 3.453 1.00 0.00 C ATOM 1133 CE2 TYR A 497 -6.873 -9.222 2.499 1.00 0.00 C ATOM 1134 CZ TYR A 497 -7.572 -8.042 2.350 1.00 0.00 C ATOM 1135 OH TYR A 497 -7.949 -7.624 1.094 1.00 0.00 O ATOM 0 H TYR A 497 -8.363 -11.066 5.497 1.00 0.00 H new ATOM 0 HA TYR A 497 -7.181 -10.210 8.075 1.00 0.00 H new ATOM 0 HB2 TYR A 497 -5.988 -8.501 6.817 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -5.599 -10.084 6.173 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -7.770 -7.104 5.574 1.00 0.00 H new ATOM 0 HD2 TYR A 497 -5.951 -10.564 3.874 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -8.444 -6.357 3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 497 -6.620 -9.816 1.633 1.00 0.00 H new ATOM 0 HH TYR A 497 -7.642 -8.273 0.427 1.00 0.00 H new ATOM 1145 N ARG A 498 -8.573 -8.084 8.218 1.00 0.00 N ATOM 1146 CA ARG A 498 -9.591 -7.069 8.460 1.00 0.00 C ATOM 1147 C ARG A 498 -8.975 -5.672 8.464 1.00 0.00 C ATOM 1148 O ARG A 498 -7.988 -5.421 9.156 1.00 0.00 O ATOM 1149 CB ARG A 498 -10.296 -7.331 9.792 1.00 0.00 C ATOM 1150 CG ARG A 498 -11.689 -6.728 9.872 1.00 0.00 C ATOM 1151 CD ARG A 498 -12.711 -7.589 9.145 1.00 0.00 C ATOM 1152 NE ARG A 498 -13.292 -8.604 10.019 1.00 0.00 N ATOM 1153 CZ ARG A 498 -14.212 -8.341 10.941 1.00 0.00 C ATOM 1154 NH1 ARG A 498 -14.653 -7.102 11.107 1.00 0.00 N ATOM 1155 NH2 ARG A 498 -14.693 -9.319 11.698 1.00 0.00 N ATOM 0 H ARG A 498 -7.793 -8.064 8.875 1.00 0.00 H new ATOM 0 HA ARG A 498 -10.322 -7.123 7.653 1.00 0.00 H new ATOM 0 HB2 ARG A 498 -10.365 -8.407 9.951 1.00 0.00 H new ATOM 0 HB3 ARG A 498 -9.687 -6.927 10.601 1.00 0.00 H new ATOM 0 HG2 ARG A 498 -11.980 -6.619 10.917 1.00 0.00 H new ATOM 0 HG3 ARG A 498 -11.679 -5.728 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 498 -13.504 -6.954 8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 498 -12.236 -8.074 8.292 1.00 0.00 H new ATOM 0 HE ARG A 498 -12.974 -9.568 9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 498 -14.286 -6.348 10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 498 -15.359 -6.903 11.815 1.00 0.00 H new ATOM 0 HH21 ARG A 498 -14.357 -10.274 11.572 1.00 0.00 H new ATOM 0 HH22 ARG A 498 -15.399 -9.116 12.405 1.00 0.00 H new ATOM 1169 N ILE A 499 -9.564 -4.770 7.687 1.00 0.00 N ATOM 1170 CA ILE A 499 -9.074 -3.400 7.602 1.00 0.00 C ATOM 1171 C ILE A 499 -10.139 -2.406 8.053 1.00 0.00 C ATOM 1172 O ILE A 499 -11.322 -2.572 7.757 1.00 0.00 O ATOM 1173 CB ILE A 499 -8.633 -3.047 6.169 1.00 0.00 C ATOM 1174 CG1 ILE A 499 -7.538 -4.007 5.698 1.00 0.00 C ATOM 1175 CG2 ILE A 499 -8.147 -1.607 6.103 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -7.103 -3.773 4.268 1.00 0.00 C ATOM 0 H ILE A 499 -10.381 -4.963 7.107 1.00 0.00 H new ATOM 0 HA ILE A 499 -8.212 -3.332 8.266 1.00 0.00 H new ATOM 0 HB ILE A 499 -9.491 -3.150 5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -6.673 -3.908 6.353 1.00 0.00 H new ATOM 0 HG13 ILE A 499 -7.897 -5.031 5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 499 -7.839 -1.373 5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 499 -8.953 -0.937 6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 499 -7.300 -1.478 6.777 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -6.325 -4.489 4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -7.957 -3.901 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -6.713 -2.760 4.167 1.00 0.00 H new ATOM 1188 N GLN A 500 -9.710 -1.372 8.769 1.00 0.00 N ATOM 1189 CA GLN A 500 -10.627 -0.350 9.260 1.00 0.00 C ATOM 1190 C GLN A 500 -9.916 0.990 9.417 1.00 0.00 C ATOM 1191 O GLN A 500 -8.698 1.081 9.260 1.00 0.00 O ATOM 1192 CB GLN A 500 -11.234 -0.779 10.597 1.00 0.00 C ATOM 1193 CG GLN A 500 -10.203 -0.984 11.695 1.00 0.00 C ATOM 1194 CD GLN A 500 -10.627 -2.031 12.706 1.00 0.00 C ATOM 1195 OE1 GLN A 500 -11.201 -3.059 12.348 1.00 0.00 O ATOM 1196 NE2 GLN A 500 -10.346 -1.773 13.978 1.00 0.00 N ATOM 0 H GLN A 500 -8.734 -1.220 9.022 1.00 0.00 H new ATOM 0 HA GLN A 500 -11.426 -0.233 8.528 1.00 0.00 H new ATOM 0 HB2 GLN A 500 -11.951 -0.024 10.920 1.00 0.00 H new ATOM 0 HB3 GLN A 500 -11.789 -1.706 10.454 1.00 0.00 H new ATOM 0 HG2 GLN A 500 -9.255 -1.280 11.247 1.00 0.00 H new ATOM 0 HG3 GLN A 500 -10.031 -0.038 12.208 1.00 0.00 H new ATOM 0 HE21 GLN A 500 -9.868 -0.907 14.229 1.00 0.00 H new ATOM 0 HE22 GLN A 500 -10.608 -2.440 14.704 1.00 0.00 H new ATOM 1205 N THR A 501 -10.684 2.029 9.729 1.00 0.00 N ATOM 1206 CA THR A 501 -10.128 3.365 9.907 1.00 0.00 C ATOM 1207 C THR A 501 -9.554 3.540 11.308 1.00 0.00 C ATOM 1208 O THR A 501 -10.073 2.983 12.276 1.00 0.00 O ATOM 1209 CB THR A 501 -11.190 4.453 9.660 1.00 0.00 C ATOM 1210 OG1 THR A 501 -12.352 4.193 10.455 1.00 0.00 O ATOM 1211 CG2 THR A 501 -11.577 4.507 8.190 1.00 0.00 C ATOM 0 H THR A 501 -11.693 1.971 9.864 1.00 0.00 H new ATOM 0 HA THR A 501 -9.329 3.475 9.174 1.00 0.00 H new ATOM 0 HB THR A 501 -10.765 5.416 9.943 1.00 0.00 H new ATOM 0 HG1 THR A 501 -13.022 4.890 10.293 1.00 0.00 H new ATOM 0 HG21 THR A 501 -12.328 5.282 8.040 1.00 0.00 H new ATOM 0 HG22 THR A 501 -10.696 4.734 7.590 1.00 0.00 H new ATOM 0 HG23 THR A 501 -11.985 3.543 7.885 1.00 0.00 H new ATOM 1219 N TYR A 502 -8.481 4.316 11.410 1.00 0.00 N ATOM 1220 CA TYR A 502 -7.835 4.563 12.694 1.00 0.00 C ATOM 1221 C TYR A 502 -8.868 4.882 13.770 1.00 0.00 C ATOM 1222 O TYR A 502 -8.754 4.429 14.909 1.00 0.00 O ATOM 1223 CB TYR A 502 -6.836 5.715 12.573 1.00 0.00 C ATOM 1224 CG TYR A 502 -5.969 5.895 13.798 1.00 0.00 C ATOM 1225 CD1 TYR A 502 -6.390 6.683 14.862 1.00 0.00 C ATOM 1226 CD2 TYR A 502 -4.728 5.277 13.892 1.00 0.00 C ATOM 1227 CE1 TYR A 502 -5.601 6.851 15.983 1.00 0.00 C ATOM 1228 CE2 TYR A 502 -3.932 5.438 15.010 1.00 0.00 C ATOM 1229 CZ TYR A 502 -4.373 6.227 16.052 1.00 0.00 C ATOM 1230 OH TYR A 502 -3.584 6.391 17.168 1.00 0.00 O ATOM 0 H TYR A 502 -8.040 4.785 10.619 1.00 0.00 H new ATOM 0 HA TYR A 502 -7.302 3.658 12.984 1.00 0.00 H new ATOM 0 HB2 TYR A 502 -6.196 5.541 11.708 1.00 0.00 H new ATOM 0 HB3 TYR A 502 -7.382 6.640 12.385 1.00 0.00 H new ATOM 0 HD1 TYR A 502 -7.351 7.173 14.812 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -4.379 4.660 13.077 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -5.944 7.467 16.801 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -2.971 4.949 15.068 1.00 0.00 H new ATOM 0 HH TYR A 502 -2.752 5.884 17.058 1.00 0.00 H new ATOM 1240 N ALA A 503 -9.877 5.664 13.401 1.00 0.00 N ATOM 1241 CA ALA A 503 -10.932 6.042 14.332 1.00 0.00 C ATOM 1242 C ALA A 503 -11.715 4.820 14.800 1.00 0.00 C ATOM 1243 O ALA A 503 -12.162 4.759 15.945 1.00 0.00 O ATOM 1244 CB ALA A 503 -11.866 7.056 13.689 1.00 0.00 C ATOM 0 H ALA A 503 -9.986 6.048 12.462 1.00 0.00 H new ATOM 0 HA ALA A 503 -10.465 6.498 15.205 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -12.649 7.329 14.396 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.301 7.946 13.411 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -12.318 6.620 12.798 1.00 0.00 H new ATOM 1250 N GLU A 504 -11.878 3.850 13.906 1.00 0.00 N ATOM 1251 CA GLU A 504 -12.609 2.630 14.228 1.00 0.00 C ATOM 1252 C GLU A 504 -11.854 1.800 15.262 1.00 0.00 C ATOM 1253 O GLU A 504 -12.458 1.180 16.138 1.00 0.00 O ATOM 1254 CB GLU A 504 -12.843 1.800 12.964 1.00 0.00 C ATOM 1255 CG GLU A 504 -14.034 2.264 12.143 1.00 0.00 C ATOM 1256 CD GLU A 504 -15.357 2.020 12.844 1.00 0.00 C ATOM 1257 OE1 GLU A 504 -15.703 2.807 13.749 1.00 0.00 O ATOM 1258 OE2 GLU A 504 -16.045 1.041 12.486 1.00 0.00 O ATOM 0 H GLU A 504 -11.514 3.885 12.954 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.573 2.915 14.650 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -11.948 1.838 12.343 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -12.991 0.758 13.246 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -13.931 3.328 11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -14.034 1.745 11.184 1.00 0.00 H new ATOM 1265 N TYR A 505 -10.530 1.793 15.154 1.00 0.00 N ATOM 1266 CA TYR A 505 -9.692 1.038 16.077 1.00 0.00 C ATOM 1267 C TYR A 505 -9.673 1.691 17.456 1.00 0.00 C ATOM 1268 O TYR A 505 -9.973 1.050 18.464 1.00 0.00 O ATOM 1269 CB TYR A 505 -8.266 0.930 15.533 1.00 0.00 C ATOM 1270 CG TYR A 505 -7.239 0.590 16.589 1.00 0.00 C ATOM 1271 CD1 TYR A 505 -7.252 -0.643 17.228 1.00 0.00 C ATOM 1272 CD2 TYR A 505 -6.255 1.503 16.947 1.00 0.00 C ATOM 1273 CE1 TYR A 505 -6.315 -0.957 18.194 1.00 0.00 C ATOM 1274 CE2 TYR A 505 -5.313 1.198 17.911 1.00 0.00 C ATOM 1275 CZ TYR A 505 -5.348 -0.034 18.532 1.00 0.00 C ATOM 1276 OH TYR A 505 -4.413 -0.343 19.492 1.00 0.00 O ATOM 0 H TYR A 505 -10.014 2.302 14.436 1.00 0.00 H new ATOM 0 HA TYR A 505 -10.114 0.038 16.174 1.00 0.00 H new ATOM 0 HB2 TYR A 505 -8.240 0.168 14.754 1.00 0.00 H new ATOM 0 HB3 TYR A 505 -7.993 1.875 15.063 1.00 0.00 H new ATOM 0 HD1 TYR A 505 -8.007 -1.369 16.965 1.00 0.00 H new ATOM 0 HD2 TYR A 505 -6.226 2.468 16.463 1.00 0.00 H new ATOM 0 HE1 TYR A 505 -6.340 -1.920 18.682 1.00 0.00 H new ATOM 0 HE2 TYR A 505 -4.554 1.919 18.177 1.00 0.00 H new ATOM 0 HH TYR A 505 -3.803 0.415 19.611 1.00 0.00 H new ATOM 1286 N VAL A 506 -9.320 2.972 17.492 1.00 0.00 N ATOM 1287 CA VAL A 506 -9.263 3.714 18.746 1.00 0.00 C ATOM 1288 C VAL A 506 -10.651 3.863 19.359 1.00 0.00 C ATOM 1289 O VAL A 506 -10.814 3.788 20.576 1.00 0.00 O ATOM 1290 CB VAL A 506 -8.652 5.113 18.542 1.00 0.00 C ATOM 1291 CG1 VAL A 506 -7.180 5.005 18.175 1.00 0.00 C ATOM 1292 CG2 VAL A 506 -9.420 5.881 17.477 1.00 0.00 C ATOM 0 H VAL A 506 -9.069 3.517 16.667 1.00 0.00 H new ATOM 0 HA VAL A 506 -8.628 3.143 19.424 1.00 0.00 H new ATOM 0 HB VAL A 506 -8.729 5.663 19.480 1.00 0.00 H new ATOM 0 HG11 VAL A 506 -6.766 6.003 18.035 1.00 0.00 H new ATOM 0 HG12 VAL A 506 -6.642 4.498 18.976 1.00 0.00 H new ATOM 0 HG13 VAL A 506 -7.076 4.436 17.251 1.00 0.00 H new ATOM 0 HG21 VAL A 506 -8.974 6.867 17.347 1.00 0.00 H new ATOM 0 HG22 VAL A 506 -9.378 5.336 16.534 1.00 0.00 H new ATOM 0 HG23 VAL A 506 -10.459 5.991 17.786 1.00 0.00 H new