USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 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 Single : A 462 SER OG : rot 45:sc= 0.941 USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 ASN : amide:sc= 0.199 K(o=0.2,f=-1.2!) USER MOD Single : A 472 GLN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 474 ASN : amide:sc= -0.148 K(o=-0.15,f=-2.5!) USER MOD Single : A 475 GLN : amide:sc= 0 X(o=0,f=0.038) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD Single : A 484 THR OG1 : rot 70:sc= 0.42 USER MOD Single : A 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 490 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 THR OG1 : rot -54:sc= 0.254 USER MOD Single : A 514 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 GLN : amide:sc= -0.374! C(o=-0.37!,f=-4!) USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 522 ASN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : A 525 CYS SG : rot 180:sc= 0 USER MOD Single : A 526 HIS : no HD1:sc= -6.2! C(o=-6.2!,f=-8.9!) USER MOD Single : A 527 SER OG : rot 55:sc= 1.26 USER MOD Single : A 528 THR OG1 : rot -22:sc= 0.0631 USER MOD Single : A 529 HIS : no HE2:sc= -0.156 K(o=-0.16,f=-1.1) USER MOD Single : A 531 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N SER A 462 5.983 1.409 -7.023 1.00 0.00 N ATOM 203 CA SER A 462 6.180 0.569 -5.847 1.00 0.00 C ATOM 204 C SER A 462 5.303 1.041 -4.691 1.00 0.00 C ATOM 205 O SER A 462 5.738 1.821 -3.844 1.00 0.00 O ATOM 206 CB SER A 462 7.650 0.582 -5.425 1.00 0.00 C ATOM 207 OG SER A 462 8.071 1.890 -5.081 1.00 0.00 O ATOM 0 HA SER A 462 5.893 -0.450 -6.106 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.793 -0.085 -4.575 1.00 0.00 H new ATOM 0 HB3 SER A 462 8.268 0.200 -6.237 1.00 0.00 H new ATOM 0 HG SER A 462 7.395 2.312 -4.511 1.00 0.00 H new ATOM 213 N LYS A 463 4.065 0.561 -4.661 1.00 0.00 N ATOM 214 CA LYS A 463 3.125 0.930 -3.610 1.00 0.00 C ATOM 215 C LYS A 463 2.202 -0.236 -3.270 1.00 0.00 C ATOM 216 O LYS A 463 1.806 -1.002 -4.149 1.00 0.00 O ATOM 217 CB LYS A 463 2.295 2.141 -4.041 1.00 0.00 C ATOM 218 CG LYS A 463 3.008 3.468 -3.844 1.00 0.00 C ATOM 219 CD LYS A 463 2.033 4.633 -3.860 1.00 0.00 C ATOM 220 CE LYS A 463 1.749 5.104 -5.278 1.00 0.00 C ATOM 221 NZ LYS A 463 1.213 6.492 -5.305 1.00 0.00 N ATOM 0 H LYS A 463 3.689 -0.086 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 463 3.699 1.188 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 463 2.030 2.033 -5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 463 1.363 2.152 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 463 3.546 3.456 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 463 3.751 3.603 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 463 1.100 4.335 -3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 463 2.441 5.458 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 463 2.665 5.057 -5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 463 1.034 4.429 -5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 1.033 6.775 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 0.325 6.532 -4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 1.906 7.140 -4.880 1.00 0.00 H new ATOM 235 N ILE A 464 1.863 -0.364 -1.992 1.00 0.00 N ATOM 236 CA ILE A 464 0.985 -1.435 -1.538 1.00 0.00 C ATOM 237 C ILE A 464 -0.234 -0.877 -0.813 1.00 0.00 C ATOM 238 O ILE A 464 -0.123 -0.346 0.293 1.00 0.00 O ATOM 239 CB ILE A 464 1.724 -2.410 -0.601 1.00 0.00 C ATOM 240 CG1 ILE A 464 2.830 -3.144 -1.363 1.00 0.00 C ATOM 241 CG2 ILE A 464 0.745 -3.402 0.009 1.00 0.00 C ATOM 242 CD1 ILE A 464 3.868 -3.774 -0.461 1.00 0.00 C ATOM 0 H ILE A 464 2.183 0.261 -1.252 1.00 0.00 H new ATOM 0 HA ILE A 464 0.660 -1.974 -2.428 1.00 0.00 H new ATOM 0 HB ILE A 464 2.183 -1.839 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.380 -3.919 -1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.323 -2.443 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.282 -4.084 0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -0.010 -2.863 0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.261 -3.971 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.621 -4.277 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.345 -3.000 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.387 -4.500 0.195 1.00 0.00 H new ATOM 254 N LEU A 465 -1.398 -1.001 -1.442 1.00 0.00 N ATOM 255 CA LEU A 465 -2.640 -0.510 -0.856 1.00 0.00 C ATOM 256 C LEU A 465 -3.422 -1.647 -0.206 1.00 0.00 C ATOM 257 O LEU A 465 -4.036 -2.464 -0.892 1.00 0.00 O ATOM 258 CB LEU A 465 -3.498 0.168 -1.926 1.00 0.00 C ATOM 259 CG LEU A 465 -4.987 0.307 -1.604 1.00 0.00 C ATOM 260 CD1 LEU A 465 -5.187 1.151 -0.355 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.734 0.911 -2.784 1.00 0.00 C ATOM 0 H LEU A 465 -1.507 -1.437 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.387 0.219 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -3.093 1.163 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.398 -0.395 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.392 -0.687 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.252 1.239 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.686 0.677 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.766 2.144 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.792 1.002 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.327 1.897 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.619 0.267 -3.656 1.00 0.00 H new ATOM 273 N VAL A 466 -3.397 -1.691 1.122 1.00 0.00 N ATOM 274 CA VAL A 466 -4.106 -2.726 1.866 1.00 0.00 C ATOM 275 C VAL A 466 -5.552 -2.320 2.129 1.00 0.00 C ATOM 276 O VAL A 466 -5.828 -1.188 2.526 1.00 0.00 O ATOM 277 CB VAL A 466 -3.416 -3.024 3.210 1.00 0.00 C ATOM 278 CG1 VAL A 466 -3.194 -1.739 3.993 1.00 0.00 C ATOM 279 CG2 VAL A 466 -4.235 -4.017 4.021 1.00 0.00 C ATOM 0 H VAL A 466 -2.894 -1.022 1.705 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.090 -3.626 1.251 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.443 -3.471 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.705 -1.970 4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.563 -1.064 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -4.154 -1.261 4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.732 -4.216 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -5.223 -3.600 4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.337 -4.947 3.462 1.00 0.00 H new ATOM 289 N ARG A 467 -6.472 -3.252 1.904 1.00 0.00 N ATOM 290 CA ARG A 467 -7.891 -2.992 2.116 1.00 0.00 C ATOM 291 C ARG A 467 -8.470 -3.948 3.155 1.00 0.00 C ATOM 292 O ARG A 467 -7.864 -4.967 3.481 1.00 0.00 O ATOM 293 CB ARG A 467 -8.658 -3.128 0.800 1.00 0.00 C ATOM 294 CG ARG A 467 -8.739 -1.834 0.005 1.00 0.00 C ATOM 295 CD ARG A 467 -9.695 -1.961 -1.170 1.00 0.00 C ATOM 296 NE ARG A 467 -11.067 -1.626 -0.799 1.00 0.00 N ATOM 297 CZ ARG A 467 -12.011 -1.314 -1.679 1.00 0.00 C ATOM 298 NH1 ARG A 467 -11.734 -1.295 -2.975 1.00 0.00 N ATOM 299 NH2 ARG A 467 -13.237 -1.022 -1.263 1.00 0.00 N ATOM 0 H ARG A 467 -6.260 -4.194 1.575 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.996 -1.972 2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.179 -3.891 0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.668 -3.478 1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -9.068 -1.025 0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.747 -1.567 -0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -9.367 -1.305 -1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -9.662 -2.980 -1.555 1.00 0.00 H new ATOM 0 HE ARG A 467 -11.314 -1.632 0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -10.793 -1.520 -3.299 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -12.461 -1.055 -3.649 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -13.455 -1.037 -0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -13.962 -0.782 -1.940 1.00 0.00 H new ATOM 313 N ASN A 468 -9.647 -3.610 3.672 1.00 0.00 N ATOM 314 CA ASN A 468 -10.307 -4.437 4.675 1.00 0.00 C ATOM 315 C ASN A 468 -9.532 -4.422 5.989 1.00 0.00 C ATOM 316 O ASN A 468 -9.381 -5.454 6.643 1.00 0.00 O ATOM 317 CB ASN A 468 -10.448 -5.874 4.169 1.00 0.00 C ATOM 318 CG ASN A 468 -11.666 -6.572 4.743 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.711 -5.954 4.947 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.536 -7.867 5.006 1.00 0.00 N ATOM 0 H ASN A 468 -10.163 -2.769 3.413 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.299 -4.023 4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.515 -5.868 3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.553 -6.438 4.430 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.321 -8.390 5.393 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.651 -8.339 4.821 1.00 0.00 H new ATOM 327 N ILE A 469 -9.043 -3.246 6.368 1.00 0.00 N ATOM 328 CA ILE A 469 -8.284 -3.097 7.603 1.00 0.00 C ATOM 329 C ILE A 469 -9.210 -2.857 8.791 1.00 0.00 C ATOM 330 O ILE A 469 -10.123 -2.032 8.742 1.00 0.00 O ATOM 331 CB ILE A 469 -7.277 -1.936 7.509 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.282 -2.186 6.373 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.546 -1.761 8.832 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.582 -0.933 5.897 1.00 0.00 C ATOM 0 H ILE A 469 -9.159 -2.383 5.837 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.738 -4.029 7.752 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.823 -1.017 7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.534 -2.905 6.707 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.808 -2.640 5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.838 -0.937 8.750 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.267 -1.543 9.620 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -6.009 -2.678 9.075 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.892 -1.185 5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -6.321 -0.220 5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -5.028 -0.489 6.724 1.00 0.00 H new ATOM 346 N PRO A 470 -8.970 -3.593 9.887 1.00 0.00 N ATOM 347 CA PRO A 470 -9.770 -3.476 11.109 1.00 0.00 C ATOM 348 C PRO A 470 -9.540 -2.152 11.829 1.00 0.00 C ATOM 349 O PRO A 470 -8.405 -1.690 11.953 1.00 0.00 O ATOM 350 CB PRO A 470 -9.278 -4.644 11.968 1.00 0.00 C ATOM 351 CG PRO A 470 -7.894 -4.912 11.486 1.00 0.00 C ATOM 352 CD PRO A 470 -7.899 -4.595 10.016 1.00 0.00 C ATOM 0 HA PRO A 470 -10.839 -3.503 10.900 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.285 -4.387 13.027 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -9.916 -5.520 11.848 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -7.170 -4.294 12.016 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.614 -5.951 11.660 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -6.938 -4.200 9.687 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -8.103 -5.481 9.415 1.00 0.00 H new ATOM 360 N PHE A 471 -10.623 -1.544 12.302 1.00 0.00 N ATOM 361 CA PHE A 471 -10.538 -0.272 13.009 1.00 0.00 C ATOM 362 C PHE A 471 -9.399 -0.288 14.025 1.00 0.00 C ATOM 363 O PHE A 471 -8.855 0.757 14.378 1.00 0.00 O ATOM 364 CB PHE A 471 -11.861 0.033 13.715 1.00 0.00 C ATOM 365 CG PHE A 471 -12.893 0.647 12.814 1.00 0.00 C ATOM 366 CD1 PHE A 471 -12.650 1.857 12.184 1.00 0.00 C ATOM 367 CD2 PHE A 471 -14.107 0.016 12.597 1.00 0.00 C ATOM 368 CE1 PHE A 471 -13.598 2.426 11.353 1.00 0.00 C ATOM 369 CE2 PHE A 471 -15.059 0.579 11.768 1.00 0.00 C ATOM 370 CZ PHE A 471 -14.804 1.786 11.146 1.00 0.00 C ATOM 0 H PHE A 471 -11.570 -1.912 12.208 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.336 0.509 12.276 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -12.260 -0.890 14.136 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -11.671 0.708 14.550 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -11.709 2.362 12.344 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -14.312 -0.927 13.081 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -13.395 3.369 10.867 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -16.001 0.076 11.607 1.00 0.00 H new ATOM 0 HZ PHE A 471 -15.547 2.228 10.499 1.00 0.00 H new ATOM 380 N GLN A 472 -9.046 -1.483 14.489 1.00 0.00 N ATOM 381 CA GLN A 472 -7.973 -1.636 15.464 1.00 0.00 C ATOM 382 C GLN A 472 -6.622 -1.288 14.847 1.00 0.00 C ATOM 383 O GLN A 472 -5.844 -0.527 15.421 1.00 0.00 O ATOM 384 CB GLN A 472 -7.947 -3.066 16.005 1.00 0.00 C ATOM 385 CG GLN A 472 -9.122 -3.395 16.912 1.00 0.00 C ATOM 386 CD GLN A 472 -8.891 -2.963 18.347 1.00 0.00 C ATOM 387 OE1 GLN A 472 -9.568 -2.069 18.855 1.00 0.00 O ATOM 388 NE2 GLN A 472 -7.930 -3.598 19.009 1.00 0.00 N ATOM 0 H GLN A 472 -9.487 -2.358 14.206 1.00 0.00 H new ATOM 0 HA GLN A 472 -8.164 -0.947 16.287 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -7.940 -3.763 15.167 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -7.019 -3.220 16.556 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -10.019 -2.907 16.530 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -9.307 -4.469 16.885 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -7.393 -4.333 18.548 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -7.729 -3.350 19.978 1.00 0.00 H new ATOM 397 N ALA A 473 -6.351 -1.852 13.674 1.00 0.00 N ATOM 398 CA ALA A 473 -5.095 -1.600 12.979 1.00 0.00 C ATOM 399 C ALA A 473 -4.780 -0.109 12.935 1.00 0.00 C ATOM 400 O ALA A 473 -5.593 0.693 12.475 1.00 0.00 O ATOM 401 CB ALA A 473 -5.148 -2.172 11.570 1.00 0.00 C ATOM 0 H ALA A 473 -6.984 -2.486 13.186 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.297 -2.096 13.532 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.203 -1.977 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.317 -3.248 11.620 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -5.961 -1.702 11.017 1.00 0.00 H new ATOM 407 N ASN A 474 -3.597 0.256 13.417 1.00 0.00 N ATOM 408 CA ASN A 474 -3.176 1.653 13.434 1.00 0.00 C ATOM 409 C ASN A 474 -2.002 1.879 12.486 1.00 0.00 C ATOM 410 O ASN A 474 -1.310 0.935 12.105 1.00 0.00 O ATOM 411 CB ASN A 474 -2.789 2.073 14.853 1.00 0.00 C ATOM 412 CG ASN A 474 -3.026 3.550 15.103 1.00 0.00 C ATOM 413 OD1 ASN A 474 -3.722 4.217 14.337 1.00 0.00 O ATOM 414 ND2 ASN A 474 -2.448 4.067 16.181 1.00 0.00 N ATOM 0 H ASN A 474 -2.913 -0.395 13.801 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.014 2.264 13.098 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -3.364 1.489 15.572 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -1.737 1.842 15.023 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -2.573 5.055 16.402 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -1.879 3.476 16.788 1.00 0.00 H new ATOM 421 N GLN A 475 -1.786 3.135 12.110 1.00 0.00 N ATOM 422 CA GLN A 475 -0.695 3.484 11.206 1.00 0.00 C ATOM 423 C GLN A 475 0.592 2.771 11.606 1.00 0.00 C ATOM 424 O GLN A 475 1.395 2.395 10.752 1.00 0.00 O ATOM 425 CB GLN A 475 -0.474 4.998 11.202 1.00 0.00 C ATOM 426 CG GLN A 475 0.857 5.416 10.598 1.00 0.00 C ATOM 427 CD GLN A 475 1.058 6.918 10.612 1.00 0.00 C ATOM 428 OE1 GLN A 475 1.025 7.570 9.568 1.00 0.00 O ATOM 429 NE2 GLN A 475 1.267 7.477 11.798 1.00 0.00 N ATOM 0 H GLN A 475 -2.351 3.927 12.416 1.00 0.00 H new ATOM 0 HA GLN A 475 -0.970 3.161 10.202 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -1.282 5.473 10.645 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -0.531 5.368 12.226 1.00 0.00 H new ATOM 0 HG2 GLN A 475 1.668 4.940 11.150 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.915 5.055 9.571 1.00 0.00 H new ATOM 0 HE21 GLN A 475 1.286 6.899 12.638 1.00 0.00 H new ATOM 0 HE22 GLN A 475 1.408 8.485 11.869 1.00 0.00 H new ATOM 438 N ARG A 476 0.782 2.588 12.908 1.00 0.00 N ATOM 439 CA ARG A 476 1.973 1.922 13.420 1.00 0.00 C ATOM 440 C ARG A 476 1.944 0.431 13.096 1.00 0.00 C ATOM 441 O ARG A 476 2.913 -0.120 12.576 1.00 0.00 O ATOM 442 CB ARG A 476 2.086 2.123 14.933 1.00 0.00 C ATOM 443 CG ARG A 476 3.369 1.566 15.527 1.00 0.00 C ATOM 444 CD ARG A 476 3.357 1.639 17.046 1.00 0.00 C ATOM 445 NE ARG A 476 4.686 1.430 17.615 1.00 0.00 N ATOM 446 CZ ARG A 476 4.896 1.030 18.864 1.00 0.00 C ATOM 447 NH1 ARG A 476 3.869 0.796 19.670 1.00 0.00 N ATOM 448 NH2 ARG A 476 6.134 0.862 19.309 1.00 0.00 N ATOM 0 H ARG A 476 0.126 2.892 13.628 1.00 0.00 H new ATOM 0 HA ARG A 476 2.843 2.365 12.935 1.00 0.00 H new ATOM 0 HB2 ARG A 476 2.025 3.188 15.155 1.00 0.00 H new ATOM 0 HB3 ARG A 476 1.234 1.647 15.419 1.00 0.00 H new ATOM 0 HG2 ARG A 476 3.497 0.530 15.212 1.00 0.00 H new ATOM 0 HG3 ARG A 476 4.222 2.124 15.141 1.00 0.00 H new ATOM 0 HD2 ARG A 476 2.978 2.612 17.359 1.00 0.00 H new ATOM 0 HD3 ARG A 476 2.672 0.888 17.440 1.00 0.00 H new ATOM 0 HE ARG A 476 5.497 1.601 17.021 1.00 0.00 H new ATOM 0 HH11 ARG A 476 2.915 0.923 19.331 1.00 0.00 H new ATOM 0 HH12 ARG A 476 4.033 0.489 20.629 1.00 0.00 H new ATOM 0 HH21 ARG A 476 6.926 1.040 18.692 1.00 0.00 H new ATOM 0 HH22 ARG A 476 6.294 0.555 20.268 1.00 0.00 H new ATOM 462 N GLU A 477 0.825 -0.215 13.408 1.00 0.00 N ATOM 463 CA GLU A 477 0.670 -1.642 13.150 1.00 0.00 C ATOM 464 C GLU A 477 1.081 -1.985 11.721 1.00 0.00 C ATOM 465 O GLU A 477 1.838 -2.928 11.491 1.00 0.00 O ATOM 466 CB GLU A 477 -0.777 -2.074 13.394 1.00 0.00 C ATOM 467 CG GLU A 477 -1.164 -2.107 14.863 1.00 0.00 C ATOM 468 CD GLU A 477 -0.089 -2.728 15.735 1.00 0.00 C ATOM 469 OE1 GLU A 477 0.441 -3.793 15.356 1.00 0.00 O ATOM 470 OE2 GLU A 477 0.221 -2.147 16.797 1.00 0.00 O ATOM 0 H GLU A 477 0.013 0.227 13.839 1.00 0.00 H new ATOM 0 HA GLU A 477 1.323 -2.181 13.837 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.444 -1.392 12.867 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -0.929 -3.064 12.965 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -1.363 -1.092 15.206 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -2.090 -2.670 14.978 1.00 0.00 H new ATOM 477 N ILE A 478 0.575 -1.213 10.766 1.00 0.00 N ATOM 478 CA ILE A 478 0.889 -1.434 9.359 1.00 0.00 C ATOM 479 C ILE A 478 2.366 -1.178 9.079 1.00 0.00 C ATOM 480 O ILE A 478 3.056 -2.025 8.512 1.00 0.00 O ATOM 481 CB ILE A 478 0.040 -0.531 8.444 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.449 -0.808 8.658 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.421 -0.747 6.987 1.00 0.00 C ATOM 484 CD1 ILE A 478 -1.932 -2.072 7.983 1.00 0.00 C ATOM 0 H ILE A 478 -0.054 -0.429 10.940 1.00 0.00 H new ATOM 0 HA ILE A 478 0.656 -2.477 9.143 1.00 0.00 H new ATOM 0 HB ILE A 478 0.237 0.510 8.700 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.647 -0.879 9.728 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -2.025 0.038 8.282 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.187 -0.102 6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.474 -0.505 6.847 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.249 -1.789 6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -2.996 -2.204 8.178 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.766 -1.997 6.908 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.382 -2.927 8.376 1.00 0.00 H new ATOM 496 N ARG A 479 2.844 -0.005 9.482 1.00 0.00 N ATOM 497 CA ARG A 479 4.239 0.363 9.274 1.00 0.00 C ATOM 498 C ARG A 479 5.164 -0.806 9.601 1.00 0.00 C ATOM 499 O ARG A 479 5.935 -1.255 8.753 1.00 0.00 O ATOM 500 CB ARG A 479 4.604 1.572 10.138 1.00 0.00 C ATOM 501 CG ARG A 479 5.799 2.354 9.618 1.00 0.00 C ATOM 502 CD ARG A 479 5.894 3.724 10.270 1.00 0.00 C ATOM 503 NE ARG A 479 5.792 3.646 11.725 1.00 0.00 N ATOM 504 CZ ARG A 479 5.444 4.672 12.494 1.00 0.00 C ATOM 505 NH1 ARG A 479 5.166 5.848 11.949 1.00 0.00 N ATOM 506 NH2 ARG A 479 5.373 4.522 13.810 1.00 0.00 N ATOM 0 H ARG A 479 2.286 0.706 9.954 1.00 0.00 H new ATOM 0 HA ARG A 479 4.367 0.623 8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.743 2.238 10.198 1.00 0.00 H new ATOM 0 HB3 ARG A 479 4.816 1.233 11.152 1.00 0.00 H new ATOM 0 HG2 ARG A 479 6.714 1.794 9.811 1.00 0.00 H new ATOM 0 HG3 ARG A 479 5.718 2.469 8.537 1.00 0.00 H new ATOM 0 HD2 ARG A 479 6.841 4.190 9.997 1.00 0.00 H new ATOM 0 HD3 ARG A 479 5.101 4.365 9.885 1.00 0.00 H new ATOM 0 HE ARG A 479 5.999 2.755 12.176 1.00 0.00 H new ATOM 0 HH11 ARG A 479 5.219 5.967 10.937 1.00 0.00 H new ATOM 0 HH12 ARG A 479 4.899 6.634 12.541 1.00 0.00 H new ATOM 0 HH21 ARG A 479 5.586 3.618 14.233 1.00 0.00 H new ATOM 0 HH22 ARG A 479 5.106 5.310 14.399 1.00 0.00 H new ATOM 520 N GLU A 480 5.080 -1.294 10.835 1.00 0.00 N ATOM 521 CA GLU A 480 5.910 -2.410 11.272 1.00 0.00 C ATOM 522 C GLU A 480 5.544 -3.688 10.522 1.00 0.00 C ATOM 523 O GLU A 480 6.418 -4.440 10.091 1.00 0.00 O ATOM 524 CB GLU A 480 5.757 -2.628 12.779 1.00 0.00 C ATOM 525 CG GLU A 480 4.346 -3.002 13.200 1.00 0.00 C ATOM 526 CD GLU A 480 4.197 -3.118 14.704 1.00 0.00 C ATOM 527 OE1 GLU A 480 5.121 -3.654 15.351 1.00 0.00 O ATOM 528 OE2 GLU A 480 3.157 -2.674 15.234 1.00 0.00 O ATOM 0 H GLU A 480 4.446 -0.934 11.549 1.00 0.00 H new ATOM 0 HA GLU A 480 6.949 -2.165 11.051 1.00 0.00 H new ATOM 0 HB2 GLU A 480 6.442 -3.415 13.095 1.00 0.00 H new ATOM 0 HB3 GLU A 480 6.054 -1.718 13.301 1.00 0.00 H new ATOM 0 HG2 GLU A 480 3.649 -2.252 12.826 1.00 0.00 H new ATOM 0 HG3 GLU A 480 4.072 -3.950 12.737 1.00 0.00 H new ATOM 535 N LEU A 481 4.246 -3.926 10.371 1.00 0.00 N ATOM 536 CA LEU A 481 3.762 -5.113 9.674 1.00 0.00 C ATOM 537 C LEU A 481 4.536 -5.338 8.379 1.00 0.00 C ATOM 538 O LEU A 481 4.960 -6.455 8.083 1.00 0.00 O ATOM 539 CB LEU A 481 2.269 -4.978 9.372 1.00 0.00 C ATOM 540 CG LEU A 481 1.604 -6.190 8.720 1.00 0.00 C ATOM 541 CD1 LEU A 481 1.288 -7.251 9.763 1.00 0.00 C ATOM 542 CD2 LEU A 481 0.340 -5.772 7.982 1.00 0.00 C ATOM 0 H LEU A 481 3.510 -3.313 10.722 1.00 0.00 H new ATOM 0 HA LEU A 481 3.919 -5.974 10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.748 -4.761 10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 481 2.127 -4.116 8.720 1.00 0.00 H new ATOM 0 HG LEU A 481 2.299 -6.616 7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.815 -8.106 9.280 1.00 0.00 H new ATOM 0 HD12 LEU A 481 2.211 -7.572 10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.612 -6.836 10.510 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.120 -6.647 7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.360 -5.320 8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.593 -5.048 7.207 1.00 0.00 H new ATOM 554 N PHE A 482 4.719 -4.268 7.613 1.00 0.00 N ATOM 555 CA PHE A 482 5.444 -4.347 6.350 1.00 0.00 C ATOM 556 C PHE A 482 6.942 -4.157 6.569 1.00 0.00 C ATOM 557 O PHE A 482 7.761 -4.857 5.974 1.00 0.00 O ATOM 558 CB PHE A 482 4.922 -3.293 5.371 1.00 0.00 C ATOM 559 CG PHE A 482 3.599 -3.649 4.755 1.00 0.00 C ATOM 560 CD1 PHE A 482 2.413 -3.331 5.397 1.00 0.00 C ATOM 561 CD2 PHE A 482 3.542 -4.303 3.535 1.00 0.00 C ATOM 562 CE1 PHE A 482 1.194 -3.657 4.833 1.00 0.00 C ATOM 563 CE2 PHE A 482 2.325 -4.631 2.966 1.00 0.00 C ATOM 564 CZ PHE A 482 1.150 -4.309 3.617 1.00 0.00 C ATOM 0 H PHE A 482 4.375 -3.336 7.845 1.00 0.00 H new ATOM 0 HA PHE A 482 5.280 -5.338 5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.826 -2.340 5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.656 -3.150 4.578 1.00 0.00 H new ATOM 0 HD1 PHE A 482 2.441 -2.822 6.349 1.00 0.00 H new ATOM 0 HD2 PHE A 482 4.458 -4.559 3.023 1.00 0.00 H new ATOM 0 HE1 PHE A 482 0.277 -3.402 5.343 1.00 0.00 H new ATOM 0 HE2 PHE A 482 2.293 -5.139 2.013 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.199 -4.567 3.175 1.00 0.00 H new ATOM 574 N SER A 483 7.291 -3.204 7.427 1.00 0.00 N ATOM 575 CA SER A 483 8.690 -2.917 7.723 1.00 0.00 C ATOM 576 C SER A 483 9.475 -4.207 7.940 1.00 0.00 C ATOM 577 O SER A 483 10.581 -4.370 7.424 1.00 0.00 O ATOM 578 CB SER A 483 8.800 -2.025 8.961 1.00 0.00 C ATOM 579 OG SER A 483 10.122 -1.543 9.127 1.00 0.00 O ATOM 0 H SER A 483 6.625 -2.618 7.929 1.00 0.00 H new ATOM 0 HA SER A 483 9.116 -2.392 6.868 1.00 0.00 H new ATOM 0 HB2 SER A 483 8.112 -1.184 8.870 1.00 0.00 H new ATOM 0 HB3 SER A 483 8.501 -2.587 9.846 1.00 0.00 H new ATOM 0 HG SER A 483 10.165 -0.974 9.924 1.00 0.00 H new ATOM 585 N THR A 484 8.894 -5.123 8.709 1.00 0.00 N ATOM 586 CA THR A 484 9.538 -6.398 8.997 1.00 0.00 C ATOM 587 C THR A 484 10.245 -6.948 7.764 1.00 0.00 C ATOM 588 O THR A 484 11.312 -7.555 7.867 1.00 0.00 O ATOM 589 CB THR A 484 8.520 -7.441 9.499 1.00 0.00 C ATOM 590 OG1 THR A 484 7.904 -6.982 10.707 1.00 0.00 O ATOM 591 CG2 THR A 484 9.196 -8.781 9.746 1.00 0.00 C ATOM 0 H THR A 484 7.979 -5.005 9.143 1.00 0.00 H new ATOM 0 HA THR A 484 10.272 -6.211 9.780 1.00 0.00 H new ATOM 0 HB THR A 484 7.758 -7.572 8.730 1.00 0.00 H new ATOM 0 HG1 THR A 484 7.312 -6.227 10.506 1.00 0.00 H new ATOM 0 HG21 THR A 484 8.458 -9.501 10.100 1.00 0.00 H new ATOM 0 HG22 THR A 484 9.639 -9.142 8.818 1.00 0.00 H new ATOM 0 HG23 THR A 484 9.976 -8.662 10.498 1.00 0.00 H new ATOM 599 N PHE A 485 9.646 -6.732 6.598 1.00 0.00 N ATOM 600 CA PHE A 485 10.219 -7.207 5.344 1.00 0.00 C ATOM 601 C PHE A 485 11.371 -6.310 4.899 1.00 0.00 C ATOM 602 O PHE A 485 12.402 -6.792 4.431 1.00 0.00 O ATOM 603 CB PHE A 485 9.146 -7.256 4.255 1.00 0.00 C ATOM 604 CG PHE A 485 8.197 -8.412 4.400 1.00 0.00 C ATOM 605 CD1 PHE A 485 7.087 -8.314 5.223 1.00 0.00 C ATOM 606 CD2 PHE A 485 8.415 -9.594 3.712 1.00 0.00 C ATOM 607 CE1 PHE A 485 6.213 -9.376 5.359 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.544 -10.660 3.843 1.00 0.00 C ATOM 609 CZ PHE A 485 6.441 -10.550 4.667 1.00 0.00 C ATOM 0 H PHE A 485 8.764 -6.231 6.495 1.00 0.00 H new ATOM 0 HA PHE A 485 10.607 -8.213 5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.578 -6.326 4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.631 -7.314 3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 485 6.903 -7.398 5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 485 9.275 -9.684 3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 485 5.352 -9.288 6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.726 -11.577 3.302 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.758 -11.380 4.770 1.00 0.00 H new ATOM 619 N GLY A 486 11.187 -5.002 5.048 1.00 0.00 N ATOM 620 CA GLY A 486 12.217 -4.058 4.656 1.00 0.00 C ATOM 621 C GLY A 486 11.845 -2.625 4.981 1.00 0.00 C ATOM 622 O GLY A 486 10.708 -2.344 5.360 1.00 0.00 O ATOM 0 H GLY A 486 10.343 -4.579 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 486 13.149 -4.312 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.400 -4.149 3.585 1.00 0.00 H new ATOM 626 N GLU A 487 12.805 -1.718 4.833 1.00 0.00 N ATOM 627 CA GLU A 487 12.571 -0.306 5.115 1.00 0.00 C ATOM 628 C GLU A 487 11.447 0.244 4.243 1.00 0.00 C ATOM 629 O GLU A 487 11.356 -0.071 3.056 1.00 0.00 O ATOM 630 CB GLU A 487 13.851 0.501 4.887 1.00 0.00 C ATOM 631 CG GLU A 487 13.740 1.953 5.322 1.00 0.00 C ATOM 632 CD GLU A 487 15.088 2.642 5.403 1.00 0.00 C ATOM 633 OE1 GLU A 487 15.918 2.227 6.239 1.00 0.00 O ATOM 634 OE2 GLU A 487 15.314 3.596 4.630 1.00 0.00 O ATOM 0 H GLU A 487 13.751 -1.935 4.520 1.00 0.00 H new ATOM 0 HA GLU A 487 12.274 -0.215 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.670 0.029 5.430 1.00 0.00 H new ATOM 0 HB3 GLU A 487 14.109 0.466 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 487 13.103 2.491 4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 487 13.253 2.000 6.296 1.00 0.00 H new ATOM 641 N LEU A 488 10.593 1.068 4.840 1.00 0.00 N ATOM 642 CA LEU A 488 9.473 1.664 4.119 1.00 0.00 C ATOM 643 C LEU A 488 9.713 3.149 3.871 1.00 0.00 C ATOM 644 O LEU A 488 10.447 3.803 4.613 1.00 0.00 O ATOM 645 CB LEU A 488 8.174 1.469 4.903 1.00 0.00 C ATOM 646 CG LEU A 488 7.694 0.026 5.059 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.690 -0.083 6.196 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.087 -0.478 3.758 1.00 0.00 C ATOM 0 H LEU A 488 10.654 1.339 5.821 1.00 0.00 H new ATOM 0 HA LEU A 488 9.386 1.163 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.306 1.896 5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.387 2.041 4.412 1.00 0.00 H new ATOM 0 HG LEU A 488 8.554 -0.598 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.360 -1.117 6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 488 7.159 0.236 7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.831 0.554 5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 488 6.751 -1.507 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.238 0.149 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 488 7.836 -0.438 2.967 1.00 0.00 H new ATOM 660 N LYS A 489 9.089 3.678 2.824 1.00 0.00 N ATOM 661 CA LYS A 489 9.230 5.088 2.479 1.00 0.00 C ATOM 662 C LYS A 489 8.376 5.960 3.394 1.00 0.00 C ATOM 663 O LYS A 489 8.869 6.915 3.996 1.00 0.00 O ATOM 664 CB LYS A 489 8.834 5.319 1.020 1.00 0.00 C ATOM 665 CG LYS A 489 9.990 5.177 0.045 1.00 0.00 C ATOM 666 CD LYS A 489 10.712 6.497 -0.161 1.00 0.00 C ATOM 667 CE LYS A 489 11.460 6.925 1.093 1.00 0.00 C ATOM 668 NZ LYS A 489 12.413 8.036 0.818 1.00 0.00 N ATOM 0 H LYS A 489 8.480 3.151 2.199 1.00 0.00 H new ATOM 0 HA LYS A 489 10.275 5.367 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.052 4.610 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.408 6.317 0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 489 10.692 4.432 0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 489 9.617 4.812 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 489 11.413 6.404 -0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 489 9.992 7.267 -0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 489 10.745 7.240 1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 489 12.004 6.073 1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 12.903 8.299 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 13.111 7.728 0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 11.891 8.858 0.453 1.00 0.00 H new ATOM 682 N THR A 490 7.094 5.625 3.495 1.00 0.00 N ATOM 683 CA THR A 490 6.172 6.378 4.337 1.00 0.00 C ATOM 684 C THR A 490 4.801 5.712 4.383 1.00 0.00 C ATOM 685 O THR A 490 4.312 5.205 3.373 1.00 0.00 O ATOM 686 CB THR A 490 6.010 7.826 3.837 1.00 0.00 C ATOM 687 OG1 THR A 490 5.198 8.572 4.751 1.00 0.00 O ATOM 688 CG2 THR A 490 5.379 7.853 2.453 1.00 0.00 C ATOM 0 H THR A 490 6.670 4.837 3.004 1.00 0.00 H new ATOM 0 HA THR A 490 6.600 6.393 5.339 1.00 0.00 H new ATOM 0 HB THR A 490 7.000 8.279 3.777 1.00 0.00 H new ATOM 0 HG1 THR A 490 5.101 9.492 4.427 1.00 0.00 H new ATOM 0 HG21 THR A 490 5.275 8.886 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 490 6.013 7.309 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.396 7.383 2.492 1.00 0.00 H new ATOM 696 N VAL A 491 4.186 5.717 5.561 1.00 0.00 N ATOM 697 CA VAL A 491 2.870 5.114 5.738 1.00 0.00 C ATOM 698 C VAL A 491 1.786 6.181 5.837 1.00 0.00 C ATOM 699 O VAL A 491 1.891 7.116 6.632 1.00 0.00 O ATOM 700 CB VAL A 491 2.822 4.231 6.999 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.517 3.453 7.057 1.00 0.00 C ATOM 702 CG2 VAL A 491 4.016 3.289 7.035 1.00 0.00 C ATOM 0 H VAL A 491 4.577 6.132 6.407 1.00 0.00 H new ATOM 0 HA VAL A 491 2.686 4.493 4.861 1.00 0.00 H new ATOM 0 HB VAL A 491 2.871 4.877 7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.501 2.835 7.955 1.00 0.00 H new ATOM 0 HG12 VAL A 491 0.679 4.150 7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.434 2.816 6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 491 3.966 2.673 7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 491 4.001 2.648 6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 491 4.938 3.870 7.045 1.00 0.00 H new ATOM 712 N ARG A 492 0.743 6.035 5.026 1.00 0.00 N ATOM 713 CA ARG A 492 -0.361 6.987 5.021 1.00 0.00 C ATOM 714 C ARG A 492 -1.667 6.307 5.418 1.00 0.00 C ATOM 715 O ARG A 492 -2.235 5.531 4.648 1.00 0.00 O ATOM 716 CB ARG A 492 -0.506 7.626 3.638 1.00 0.00 C ATOM 717 CG ARG A 492 0.658 8.527 3.258 1.00 0.00 C ATOM 718 CD ARG A 492 0.607 9.849 4.008 1.00 0.00 C ATOM 719 NE ARG A 492 1.297 9.775 5.294 1.00 0.00 N ATOM 720 CZ ARG A 492 1.721 10.842 5.962 1.00 0.00 C ATOM 721 NH1 ARG A 492 1.527 12.058 5.469 1.00 0.00 N ATOM 722 NH2 ARG A 492 2.341 10.694 7.126 1.00 0.00 N ATOM 0 H ARG A 492 0.640 5.266 4.364 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.140 7.765 5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.603 6.838 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.428 8.207 3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 492 1.598 8.020 3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 492 0.638 8.715 2.185 1.00 0.00 H new ATOM 0 HD2 ARG A 492 1.060 10.630 3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 492 -0.432 10.134 4.170 1.00 0.00 H new ATOM 0 HE ARG A 492 1.462 8.854 5.701 1.00 0.00 H new ATOM 0 HH11 ARG A 492 1.051 12.176 4.575 1.00 0.00 H new ATOM 0 HH12 ARG A 492 1.854 12.875 5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 492 2.492 9.760 7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 492 2.666 11.514 7.638 1.00 0.00 H new ATOM 736 N LEU A 493 -2.138 6.601 6.625 1.00 0.00 N ATOM 737 CA LEU A 493 -3.378 6.017 7.126 1.00 0.00 C ATOM 738 C LEU A 493 -4.276 7.088 7.737 1.00 0.00 C ATOM 739 O LEU A 493 -3.811 8.036 8.370 1.00 0.00 O ATOM 740 CB LEU A 493 -3.073 4.937 8.165 1.00 0.00 C ATOM 741 CG LEU A 493 -2.893 3.518 7.624 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.436 3.260 7.274 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.389 2.495 8.636 1.00 0.00 C ATOM 0 H LEU A 493 -1.680 7.240 7.275 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.904 5.565 6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.165 5.219 8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -3.881 4.926 8.896 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.486 3.419 6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.328 2.245 6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.113 3.971 6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -0.821 3.378 8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.253 1.491 8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.823 2.595 9.562 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.447 2.665 8.837 1.00 0.00 H new ATOM 899 N ARG A 504 -10.967 4.588 7.396 1.00 0.00 N ATOM 900 CA ARG A 504 -11.510 3.605 6.467 1.00 0.00 C ATOM 901 C ARG A 504 -10.686 2.321 6.489 1.00 0.00 C ATOM 902 O ARG A 504 -9.572 2.296 7.011 1.00 0.00 O ATOM 903 CB ARG A 504 -11.544 4.178 5.048 1.00 0.00 C ATOM 904 CG ARG A 504 -11.897 3.150 3.985 1.00 0.00 C ATOM 905 CD ARG A 504 -12.136 3.806 2.634 1.00 0.00 C ATOM 906 NE ARG A 504 -12.655 2.860 1.650 1.00 0.00 N ATOM 907 CZ ARG A 504 -13.898 2.391 1.667 1.00 0.00 C ATOM 908 NH1 ARG A 504 -14.744 2.779 2.611 1.00 0.00 N ATOM 909 NH2 ARG A 504 -14.296 1.532 0.737 1.00 0.00 N ATOM 0 HA ARG A 504 -12.527 3.368 6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -12.269 4.991 5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -10.570 4.609 4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -11.091 2.422 3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -12.790 2.603 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -12.840 4.630 2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -11.202 4.233 2.268 1.00 0.00 H new ATOM 0 HE ARG A 504 -12.029 2.542 0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -14.441 3.439 3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -15.698 2.417 2.621 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -13.648 1.232 0.009 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -15.250 1.172 0.750 1.00 0.00 H new ATOM 923 N GLY A 505 -11.243 1.257 5.920 1.00 0.00 N ATOM 924 CA GLY A 505 -10.546 -0.016 5.886 1.00 0.00 C ATOM 925 C GLY A 505 -9.536 -0.094 4.758 1.00 0.00 C ATOM 926 O GLY A 505 -9.414 -1.125 4.096 1.00 0.00 O ATOM 0 H GLY A 505 -12.164 1.253 5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -10.037 -0.174 6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -11.272 -0.821 5.776 1.00 0.00 H new ATOM 930 N PHE A 506 -8.812 0.998 4.538 1.00 0.00 N ATOM 931 CA PHE A 506 -7.809 1.049 3.481 1.00 0.00 C ATOM 932 C PHE A 506 -6.582 1.836 3.933 1.00 0.00 C ATOM 933 O PHE A 506 -6.697 2.826 4.654 1.00 0.00 O ATOM 934 CB PHE A 506 -8.399 1.683 2.220 1.00 0.00 C ATOM 935 CG PHE A 506 -8.247 3.177 2.172 1.00 0.00 C ATOM 936 CD1 PHE A 506 -8.550 3.953 3.278 1.00 0.00 C ATOM 937 CD2 PHE A 506 -7.801 3.804 1.019 1.00 0.00 C ATOM 938 CE1 PHE A 506 -8.410 5.328 3.237 1.00 0.00 C ATOM 939 CE2 PHE A 506 -7.659 5.178 0.973 1.00 0.00 C ATOM 940 CZ PHE A 506 -7.965 5.941 2.083 1.00 0.00 C ATOM 0 H PHE A 506 -8.901 1.859 5.077 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.501 0.028 3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -7.916 1.248 1.345 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.458 1.431 2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -8.900 3.479 4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -7.562 3.213 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -8.649 5.922 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -7.309 5.655 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 506 -7.856 7.015 2.048 1.00 0.00 H new ATOM 950 N GLY A 507 -5.407 1.387 3.503 1.00 0.00 N ATOM 951 CA GLY A 507 -4.175 2.060 3.873 1.00 0.00 C ATOM 952 C GLY A 507 -3.137 2.018 2.769 1.00 0.00 C ATOM 953 O GLY A 507 -3.099 1.075 1.979 1.00 0.00 O ATOM 0 H GLY A 507 -5.286 0.569 2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.393 3.098 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.766 1.595 4.770 1.00 0.00 H new ATOM 957 N PHE A 508 -2.293 3.043 2.714 1.00 0.00 N ATOM 958 CA PHE A 508 -1.251 3.121 1.696 1.00 0.00 C ATOM 959 C PHE A 508 0.126 2.890 2.310 1.00 0.00 C ATOM 960 O PHE A 508 0.489 3.519 3.304 1.00 0.00 O ATOM 961 CB PHE A 508 -1.290 4.483 1.000 1.00 0.00 C ATOM 962 CG PHE A 508 -2.205 4.522 -0.191 1.00 0.00 C ATOM 963 CD1 PHE A 508 -3.515 4.082 -0.089 1.00 0.00 C ATOM 964 CD2 PHE A 508 -1.755 4.998 -1.412 1.00 0.00 C ATOM 965 CE1 PHE A 508 -4.359 4.116 -1.183 1.00 0.00 C ATOM 966 CE2 PHE A 508 -2.594 5.034 -2.510 1.00 0.00 C ATOM 967 CZ PHE A 508 -3.898 4.594 -2.394 1.00 0.00 C ATOM 0 H PHE A 508 -2.310 3.831 3.362 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.437 2.339 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.608 5.240 1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.282 4.749 0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -3.881 3.708 0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -0.737 5.345 -1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -5.378 3.769 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -2.231 5.405 -3.457 1.00 0.00 H new ATOM 0 HZ PHE A 508 -4.557 4.624 -3.249 1.00 0.00 H new ATOM 977 N VAL A 509 0.890 1.982 1.710 1.00 0.00 N ATOM 978 CA VAL A 509 2.228 1.668 2.197 1.00 0.00 C ATOM 979 C VAL A 509 3.258 1.771 1.077 1.00 0.00 C ATOM 980 O VAL A 509 3.154 1.086 0.059 1.00 0.00 O ATOM 981 CB VAL A 509 2.286 0.253 2.804 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.716 -0.111 3.174 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.372 0.156 4.016 1.00 0.00 C ATOM 0 H VAL A 509 0.605 1.452 0.887 1.00 0.00 H new ATOM 0 HA VAL A 509 2.463 2.398 2.972 1.00 0.00 H new ATOM 0 HB VAL A 509 1.937 -0.459 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 509 3.737 -1.114 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.341 -0.083 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 509 4.096 0.603 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.425 -0.850 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.689 0.878 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.346 0.371 3.716 1.00 0.00 H new ATOM 993 N ASP A 510 4.252 2.631 1.273 1.00 0.00 N ATOM 994 CA ASP A 510 5.303 2.823 0.280 1.00 0.00 C ATOM 995 C ASP A 510 6.605 2.170 0.734 1.00 0.00 C ATOM 996 O ASP A 510 6.929 2.166 1.922 1.00 0.00 O ATOM 997 CB ASP A 510 5.527 4.315 0.027 1.00 0.00 C ATOM 998 CG ASP A 510 6.550 4.569 -1.063 1.00 0.00 C ATOM 999 OD1 ASP A 510 7.015 3.588 -1.681 1.00 0.00 O ATOM 1000 OD2 ASP A 510 6.886 5.749 -1.298 1.00 0.00 O ATOM 0 H ASP A 510 4.352 3.206 2.110 1.00 0.00 H new ATOM 0 HA ASP A 510 4.984 2.348 -0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 510 4.581 4.780 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 510 5.857 4.792 0.950 1.00 0.00 H new ATOM 1005 N PHE A 511 7.347 1.617 -0.220 1.00 0.00 N ATOM 1006 CA PHE A 511 8.613 0.959 0.082 1.00 0.00 C ATOM 1007 C PHE A 511 9.782 1.722 -0.533 1.00 0.00 C ATOM 1008 O PHE A 511 9.596 2.557 -1.419 1.00 0.00 O ATOM 1009 CB PHE A 511 8.599 -0.481 -0.437 1.00 0.00 C ATOM 1010 CG PHE A 511 8.083 -1.474 0.565 1.00 0.00 C ATOM 1011 CD1 PHE A 511 6.724 -1.710 0.689 1.00 0.00 C ATOM 1012 CD2 PHE A 511 8.958 -2.172 1.383 1.00 0.00 C ATOM 1013 CE1 PHE A 511 6.246 -2.623 1.611 1.00 0.00 C ATOM 1014 CE2 PHE A 511 8.486 -3.086 2.306 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.129 -3.312 2.419 1.00 0.00 C ATOM 0 H PHE A 511 7.094 1.611 -1.208 1.00 0.00 H new ATOM 0 HA PHE A 511 8.739 0.947 1.165 1.00 0.00 H new ATOM 0 HB2 PHE A 511 7.983 -0.529 -1.335 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.610 -0.763 -0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 511 6.030 -1.175 0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 511 10.021 -2.000 1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 511 5.184 -2.797 1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 511 9.178 -3.623 2.938 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.758 -4.027 3.139 1.00 0.00 H new ATOM 1025 N ILE A 512 10.988 1.430 -0.056 1.00 0.00 N ATOM 1026 CA ILE A 512 12.188 2.087 -0.558 1.00 0.00 C ATOM 1027 C ILE A 512 12.517 1.624 -1.973 1.00 0.00 C ATOM 1028 O ILE A 512 12.942 2.416 -2.815 1.00 0.00 O ATOM 1029 CB ILE A 512 13.400 1.818 0.353 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.101 2.270 1.784 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.634 2.527 -0.185 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.817 3.751 1.903 1.00 0.00 C ATOM 0 H ILE A 512 11.159 0.742 0.678 1.00 0.00 H new ATOM 0 HA ILE A 512 11.981 3.157 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 512 13.596 0.746 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.244 1.712 2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 512 13.949 2.019 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.483 2.328 0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 512 14.855 2.162 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.449 3.601 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.614 4.000 2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.682 4.316 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 512 11.950 4.005 1.293 1.00 0.00 H new ATOM 1044 N THR A 513 12.315 0.335 -2.231 1.00 0.00 N ATOM 1045 CA THR A 513 12.589 -0.234 -3.544 1.00 0.00 C ATOM 1046 C THR A 513 11.430 -1.103 -4.019 1.00 0.00 C ATOM 1047 O THR A 513 10.390 -1.181 -3.365 1.00 0.00 O ATOM 1048 CB THR A 513 13.878 -1.078 -3.532 1.00 0.00 C ATOM 1049 OG1 THR A 513 13.773 -2.119 -2.554 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.090 -0.210 -3.229 1.00 0.00 C ATOM 0 H THR A 513 11.962 -0.334 -1.547 1.00 0.00 H new ATOM 0 HA THR A 513 12.717 0.602 -4.231 1.00 0.00 H new ATOM 0 HB THR A 513 14.006 -1.520 -4.520 1.00 0.00 H new ATOM 0 HG1 THR A 513 13.546 -1.729 -1.684 1.00 0.00 H new ATOM 0 HG21 THR A 513 15.988 -0.828 -3.226 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.184 0.563 -3.992 1.00 0.00 H new ATOM 0 HG23 THR A 513 14.968 0.257 -2.252 1.00 0.00 H new ATOM 1058 N LYS A 514 11.616 -1.756 -5.161 1.00 0.00 N ATOM 1059 CA LYS A 514 10.588 -2.622 -5.724 1.00 0.00 C ATOM 1060 C LYS A 514 10.668 -4.023 -5.125 1.00 0.00 C ATOM 1061 O LYS A 514 9.649 -4.612 -4.765 1.00 0.00 O ATOM 1062 CB LYS A 514 10.732 -2.698 -7.246 1.00 0.00 C ATOM 1063 CG LYS A 514 10.492 -1.371 -7.946 1.00 0.00 C ATOM 1064 CD LYS A 514 10.300 -1.557 -9.442 1.00 0.00 C ATOM 1065 CE LYS A 514 11.612 -1.892 -10.135 1.00 0.00 C ATOM 1066 NZ LYS A 514 12.392 -0.668 -10.467 1.00 0.00 N ATOM 0 H LYS A 514 12.471 -1.701 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 514 9.616 -2.196 -5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 514 11.733 -3.053 -7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 514 10.029 -3.436 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 514 9.611 -0.889 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 514 11.337 -0.706 -7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 514 9.579 -2.354 -9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 514 9.882 -0.647 -9.872 1.00 0.00 H new ATOM 0 HE2 LYS A 514 12.208 -2.539 -9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 514 11.408 -2.451 -11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 13.279 -0.939 -10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 11.834 -0.062 -11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 12.609 -0.147 -9.593 1.00 0.00 H new ATOM 1080 N GLN A 515 11.884 -4.548 -5.021 1.00 0.00 N ATOM 1081 CA GLN A 515 12.096 -5.879 -4.465 1.00 0.00 C ATOM 1082 C GLN A 515 11.275 -6.075 -3.194 1.00 0.00 C ATOM 1083 O GLN A 515 10.333 -6.866 -3.168 1.00 0.00 O ATOM 1084 CB GLN A 515 13.580 -6.100 -4.167 1.00 0.00 C ATOM 1085 CG GLN A 515 14.479 -5.905 -5.377 1.00 0.00 C ATOM 1086 CD GLN A 515 14.857 -4.453 -5.594 1.00 0.00 C ATOM 1087 OE1 GLN A 515 14.178 -3.724 -6.318 1.00 0.00 O ATOM 1088 NE2 GLN A 515 15.946 -4.024 -4.967 1.00 0.00 N ATOM 0 H GLN A 515 12.737 -4.072 -5.314 1.00 0.00 H new ATOM 0 HA GLN A 515 11.768 -6.610 -5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 515 13.890 -5.413 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 515 13.718 -7.110 -3.781 1.00 0.00 H new ATOM 0 HG2 GLN A 515 15.385 -6.498 -5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 515 13.973 -6.282 -6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 515 16.479 -4.662 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 515 16.249 -3.056 -5.076 1.00 0.00 H new ATOM 1097 N ASP A 516 11.640 -5.349 -2.143 1.00 0.00 N ATOM 1098 CA ASP A 516 10.938 -5.443 -0.868 1.00 0.00 C ATOM 1099 C ASP A 516 9.427 -5.449 -1.080 1.00 0.00 C ATOM 1100 O ASP A 516 8.721 -6.313 -0.560 1.00 0.00 O ATOM 1101 CB ASP A 516 11.332 -4.279 0.042 1.00 0.00 C ATOM 1102 CG ASP A 516 11.687 -3.028 -0.737 1.00 0.00 C ATOM 1103 OD1 ASP A 516 11.200 -2.883 -1.878 1.00 0.00 O ATOM 1104 OD2 ASP A 516 12.452 -2.195 -0.207 1.00 0.00 O ATOM 0 H ASP A 516 12.418 -4.689 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 516 11.225 -6.380 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 516 10.509 -4.059 0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 516 12.183 -4.574 0.657 1.00 0.00 H new ATOM 1109 N ALA A 517 8.938 -4.480 -1.846 1.00 0.00 N ATOM 1110 CA ALA A 517 7.511 -4.374 -2.127 1.00 0.00 C ATOM 1111 C ALA A 517 6.953 -5.699 -2.637 1.00 0.00 C ATOM 1112 O ALA A 517 6.017 -6.253 -2.060 1.00 0.00 O ATOM 1113 CB ALA A 517 7.253 -3.267 -3.138 1.00 0.00 C ATOM 0 H ALA A 517 9.509 -3.757 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 517 7.000 -4.128 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.184 -3.199 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 517 7.608 -2.318 -2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 517 7.782 -3.490 -4.064 1.00 0.00 H new ATOM 1119 N LYS A 518 7.533 -6.202 -3.721 1.00 0.00 N ATOM 1120 CA LYS A 518 7.094 -7.462 -4.310 1.00 0.00 C ATOM 1121 C LYS A 518 7.068 -8.571 -3.263 1.00 0.00 C ATOM 1122 O LYS A 518 6.007 -9.098 -2.928 1.00 0.00 O ATOM 1123 CB LYS A 518 8.016 -7.858 -5.465 1.00 0.00 C ATOM 1124 CG LYS A 518 8.106 -6.808 -6.559 1.00 0.00 C ATOM 1125 CD LYS A 518 8.558 -7.413 -7.877 1.00 0.00 C ATOM 1126 CE LYS A 518 7.377 -7.909 -8.697 1.00 0.00 C ATOM 1127 NZ LYS A 518 7.817 -8.651 -9.911 1.00 0.00 N ATOM 0 H LYS A 518 8.309 -5.756 -4.210 1.00 0.00 H new ATOM 0 HA LYS A 518 6.083 -7.323 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 518 9.015 -8.048 -5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 518 7.660 -8.793 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 518 7.133 -6.334 -6.690 1.00 0.00 H new ATOM 0 HG3 LYS A 518 8.804 -6.027 -6.258 1.00 0.00 H new ATOM 0 HD2 LYS A 518 9.112 -6.669 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 518 9.241 -8.240 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 518 6.754 -8.557 -8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 518 6.759 -7.061 -8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 6.983 -8.972 -10.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 8.390 -8.025 -10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 8.385 -9.475 -9.628 1.00 0.00 H new ATOM 1141 N LYS A 519 8.242 -8.919 -2.748 1.00 0.00 N ATOM 1142 CA LYS A 519 8.355 -9.964 -1.736 1.00 0.00 C ATOM 1143 C LYS A 519 7.215 -9.869 -0.727 1.00 0.00 C ATOM 1144 O LYS A 519 6.324 -10.717 -0.702 1.00 0.00 O ATOM 1145 CB LYS A 519 9.700 -9.860 -1.014 1.00 0.00 C ATOM 1146 CG LYS A 519 10.897 -9.893 -1.948 1.00 0.00 C ATOM 1147 CD LYS A 519 12.128 -10.453 -1.257 1.00 0.00 C ATOM 1148 CE LYS A 519 12.805 -9.405 -0.387 1.00 0.00 C ATOM 1149 NZ LYS A 519 14.234 -9.734 -0.132 1.00 0.00 N ATOM 0 H LYS A 519 9.130 -8.493 -3.014 1.00 0.00 H new ATOM 0 HA LYS A 519 8.293 -10.930 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 519 9.724 -8.934 -0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 519 9.784 -10.680 -0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.661 -10.500 -2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 519 11.107 -8.886 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 519 11.845 -11.308 -0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 519 12.833 -10.817 -2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 519 12.738 -8.432 -0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 519 12.276 -9.325 0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 14.659 -8.996 0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 14.298 -10.651 0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 14.745 -9.786 -1.036 1.00 0.00 H new ATOM 1163 N ALA A 520 7.250 -8.831 0.102 1.00 0.00 N ATOM 1164 CA ALA A 520 6.218 -8.625 1.111 1.00 0.00 C ATOM 1165 C ALA A 520 4.826 -8.822 0.520 1.00 0.00 C ATOM 1166 O ALA A 520 4.061 -9.672 0.978 1.00 0.00 O ATOM 1167 CB ALA A 520 6.343 -7.235 1.717 1.00 0.00 C ATOM 0 H ALA A 520 7.981 -8.120 0.095 1.00 0.00 H new ATOM 0 HA ALA A 520 6.360 -9.367 1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.566 -7.095 2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.323 -7.128 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.230 -6.485 0.934 1.00 0.00 H new ATOM 1173 N PHE A 521 4.502 -8.032 -0.498 1.00 0.00 N ATOM 1174 CA PHE A 521 3.201 -8.119 -1.151 1.00 0.00 C ATOM 1175 C PHE A 521 2.767 -9.573 -1.307 1.00 0.00 C ATOM 1176 O PHE A 521 1.626 -9.927 -1.015 1.00 0.00 O ATOM 1177 CB PHE A 521 3.247 -7.438 -2.520 1.00 0.00 C ATOM 1178 CG PHE A 521 1.933 -7.464 -3.247 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.557 -8.573 -3.987 1.00 0.00 C ATOM 1180 CD2 PHE A 521 1.073 -6.379 -3.188 1.00 0.00 C ATOM 1181 CE1 PHE A 521 0.348 -8.598 -4.657 1.00 0.00 C ATOM 1182 CE2 PHE A 521 -0.138 -6.399 -3.856 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.501 -7.511 -4.590 1.00 0.00 C ATOM 0 H PHE A 521 5.123 -7.324 -0.889 1.00 0.00 H new ATOM 0 HA PHE A 521 2.472 -7.607 -0.523 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.561 -6.402 -2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 521 4.003 -7.927 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 521 2.215 -9.427 -4.041 1.00 0.00 H new ATOM 0 HD2 PHE A 521 1.352 -5.508 -2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 521 0.068 -9.468 -5.233 1.00 0.00 H new ATOM 0 HE2 PHE A 521 -0.799 -5.546 -3.804 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.447 -7.530 -5.111 1.00 0.00 H new ATOM 1193 N ASN A 522 3.688 -10.412 -1.771 1.00 0.00 N ATOM 1194 CA ASN A 522 3.401 -11.829 -1.968 1.00 0.00 C ATOM 1195 C ASN A 522 3.437 -12.581 -0.641 1.00 0.00 C ATOM 1196 O ASN A 522 2.739 -13.578 -0.463 1.00 0.00 O ATOM 1197 CB ASN A 522 4.408 -12.443 -2.943 1.00 0.00 C ATOM 1198 CG ASN A 522 4.141 -12.041 -4.381 1.00 0.00 C ATOM 1199 OD1 ASN A 522 4.364 -10.893 -4.767 1.00 0.00 O ATOM 1200 ND2 ASN A 522 3.659 -12.986 -5.180 1.00 0.00 N ATOM 0 H ASN A 522 4.638 -10.136 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 522 2.399 -11.917 -2.387 1.00 0.00 H new ATOM 0 HB2 ASN A 522 5.415 -12.134 -2.663 1.00 0.00 H new ATOM 0 HB3 ASN A 522 4.374 -13.529 -2.860 1.00 0.00 H new ATOM 0 HD21 ASN A 522 3.458 -12.774 -6.157 1.00 0.00 H new ATOM 0 HD22 ASN A 522 3.490 -13.924 -4.816 1.00 0.00 H new ATOM 1207 N ALA A 523 4.255 -12.094 0.286 1.00 0.00 N ATOM 1208 CA ALA A 523 4.380 -12.718 1.597 1.00 0.00 C ATOM 1209 C ALA A 523 3.135 -12.473 2.443 1.00 0.00 C ATOM 1210 O ALA A 523 2.820 -13.253 3.343 1.00 0.00 O ATOM 1211 CB ALA A 523 5.618 -12.198 2.313 1.00 0.00 C ATOM 0 H ALA A 523 4.841 -11.270 0.153 1.00 0.00 H new ATOM 0 HA ALA A 523 4.482 -13.793 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 523 5.699 -12.673 3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 523 6.504 -12.430 1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.539 -11.118 2.439 1.00 0.00 H new ATOM 1217 N LEU A 524 2.432 -11.385 2.150 1.00 0.00 N ATOM 1218 CA LEU A 524 1.221 -11.036 2.885 1.00 0.00 C ATOM 1219 C LEU A 524 -0.025 -11.396 2.082 1.00 0.00 C ATOM 1220 O LEU A 524 -0.877 -12.154 2.547 1.00 0.00 O ATOM 1221 CB LEU A 524 1.214 -9.542 3.216 1.00 0.00 C ATOM 1222 CG LEU A 524 2.303 -9.063 4.176 1.00 0.00 C ATOM 1223 CD1 LEU A 524 2.295 -7.545 4.278 1.00 0.00 C ATOM 1224 CD2 LEU A 524 2.118 -9.692 5.549 1.00 0.00 C ATOM 0 H LEU A 524 2.679 -10.729 1.409 1.00 0.00 H new ATOM 0 HA LEU A 524 1.211 -11.607 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 524 1.307 -8.983 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.244 -9.289 3.644 1.00 0.00 H new ATOM 0 HG LEU A 524 3.270 -9.375 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 524 3.077 -7.222 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 524 2.477 -7.113 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 524 1.326 -7.210 4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 524 2.902 -9.340 6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 524 1.144 -9.411 5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 524 2.175 -10.777 5.463 1.00 0.00 H new ATOM 1236 N CYS A 525 -0.124 -10.850 0.876 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.266 -11.115 0.007 1.00 0.00 C ATOM 1238 C CYS A 525 -1.726 -12.563 0.141 1.00 0.00 C ATOM 1239 O CYS A 525 -2.902 -12.832 0.387 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.907 -10.814 -1.448 1.00 0.00 C ATOM 1241 SG CYS A 525 -2.195 -11.262 -2.635 1.00 0.00 S ATOM 0 H CYS A 525 0.572 -10.221 0.477 1.00 0.00 H new ATOM 0 HA CYS A 525 -2.084 -10.463 0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -0.693 -9.750 -1.545 1.00 0.00 H new ATOM 0 HB3 CYS A 525 0.008 -11.348 -1.703 1.00 0.00 H new ATOM 0 HG CYS A 525 -1.798 -10.967 -3.837 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.791 -13.493 -0.024 1.00 0.00 N ATOM 1248 CA HIS A 526 -1.100 -14.915 0.077 1.00 0.00 C ATOM 1249 C HIS A 526 -2.153 -15.167 1.153 1.00 0.00 C ATOM 1250 O HIS A 526 -3.157 -15.835 0.907 1.00 0.00 O ATOM 1251 CB HIS A 526 0.166 -15.713 0.390 1.00 0.00 C ATOM 1252 CG HIS A 526 0.455 -15.828 1.855 1.00 0.00 C ATOM 1253 ND1 HIS A 526 0.994 -14.799 2.598 1.00 0.00 N ATOM 1254 CD2 HIS A 526 0.275 -16.857 2.715 1.00 0.00 C ATOM 1255 CE1 HIS A 526 1.135 -15.191 3.852 1.00 0.00 C ATOM 1256 NE2 HIS A 526 0.706 -16.437 3.950 1.00 0.00 N ATOM 0 H HIS A 526 0.187 -13.288 -0.228 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.500 -15.244 -0.882 1.00 0.00 H new ATOM 0 HB2 HIS A 526 0.069 -16.713 -0.032 1.00 0.00 H new ATOM 0 HB3 HIS A 526 1.015 -15.240 -0.103 1.00 0.00 H new ATOM 0 HD2 HIS A 526 -0.132 -17.828 2.475 1.00 0.00 H new ATOM 0 HE1 HIS A 526 1.533 -14.594 4.659 1.00 0.00 H new ATOM 0 HE2 HIS A 526 0.696 -16.996 4.803 1.00 0.00 H new ATOM 1264 N SER A 527 -1.916 -14.627 2.344 1.00 0.00 N ATOM 1265 CA SER A 527 -2.842 -14.797 3.458 1.00 0.00 C ATOM 1266 C SER A 527 -2.411 -13.956 4.655 1.00 0.00 C ATOM 1267 O SER A 527 -1.404 -14.246 5.304 1.00 0.00 O ATOM 1268 CB SER A 527 -2.925 -16.271 3.859 1.00 0.00 C ATOM 1269 OG SER A 527 -3.893 -16.956 3.084 1.00 0.00 O ATOM 0 H SER A 527 -1.091 -14.068 2.563 1.00 0.00 H new ATOM 0 HA SER A 527 -3.827 -14.460 3.135 1.00 0.00 H new ATOM 0 HB2 SER A 527 -1.951 -16.742 3.729 1.00 0.00 H new ATOM 0 HB3 SER A 527 -3.179 -16.350 4.916 1.00 0.00 H new ATOM 0 HG SER A 527 -3.696 -16.833 2.132 1.00 0.00 H new ATOM 1275 N THR A 528 -3.180 -12.910 4.944 1.00 0.00 N ATOM 1276 CA THR A 528 -2.878 -12.025 6.062 1.00 0.00 C ATOM 1277 C THR A 528 -4.063 -11.922 7.016 1.00 0.00 C ATOM 1278 O THR A 528 -5.189 -11.652 6.597 1.00 0.00 O ATOM 1279 CB THR A 528 -2.501 -10.614 5.575 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.793 -10.697 4.333 1.00 0.00 O ATOM 1281 CG2 THR A 528 -1.642 -9.897 6.607 1.00 0.00 C ATOM 0 H THR A 528 -4.017 -12.655 4.419 1.00 0.00 H new ATOM 0 HA THR A 528 -2.028 -12.458 6.588 1.00 0.00 H new ATOM 0 HB THR A 528 -3.420 -10.046 5.432 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.405 -11.592 4.237 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.388 -8.902 6.241 1.00 0.00 H new ATOM 0 HG22 THR A 528 -2.194 -9.809 7.543 1.00 0.00 H new ATOM 0 HG23 THR A 528 -0.728 -10.465 6.777 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.802 -12.137 8.302 1.00 0.00 N ATOM 1290 CA HIS A 529 -4.848 -12.066 9.316 1.00 0.00 C ATOM 1291 C HIS A 529 -4.487 -11.054 10.399 1.00 0.00 C ATOM 1292 O HIS A 529 -3.387 -11.087 10.952 1.00 0.00 O ATOM 1293 CB HIS A 529 -5.074 -13.443 9.943 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.204 -14.545 8.937 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -5.850 -14.389 7.729 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -4.765 -15.825 8.965 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -5.804 -15.526 7.058 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -5.151 -16.413 7.786 1.00 0.00 N ATOM 0 H HIS A 529 -2.876 -12.362 8.666 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.768 -11.740 8.831 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -4.244 -13.669 10.612 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -5.976 -13.411 10.554 1.00 0.00 H new ATOM 0 HD1 HIS A 529 -6.294 -13.530 7.404 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -4.214 -16.296 9.766 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -6.228 -15.700 6.080 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.419 -10.155 10.696 1.00 0.00 N ATOM 1307 CA LEU A 530 -5.199 -9.132 11.713 1.00 0.00 C ATOM 1308 C LEU A 530 -6.475 -8.869 12.506 1.00 0.00 C ATOM 1309 O LEU A 530 -7.465 -8.379 11.963 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.712 -7.836 11.063 1.00 0.00 C ATOM 1311 CG LEU A 530 -4.092 -6.804 12.006 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.683 -7.221 12.400 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -4.080 -5.428 11.357 1.00 0.00 C ATOM 0 H LEU A 530 -6.334 -10.114 10.247 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.435 -9.496 12.400 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -3.976 -8.090 10.300 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.554 -7.371 10.551 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.701 -6.753 12.909 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.257 -6.475 13.071 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -2.717 -8.186 12.905 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -2.064 -7.301 11.506 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.635 -4.706 12.042 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.495 -5.464 10.438 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -5.101 -5.126 11.125 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.443 -9.197 13.793 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.597 -8.997 14.661 1.00 0.00 C ATOM 1327 C TYR A 531 -8.777 -9.849 14.204 1.00 0.00 C ATOM 1328 O TYR A 531 -9.923 -9.400 14.214 1.00 0.00 O ATOM 1329 CB TYR A 531 -7.997 -7.520 14.680 1.00 0.00 C ATOM 1330 CG TYR A 531 -6.908 -6.604 15.191 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.535 -6.615 16.530 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -6.251 -5.729 14.336 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -5.541 -5.780 17.001 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -5.255 -4.891 14.798 1.00 0.00 C ATOM 1335 CZ TYR A 531 -4.904 -4.920 16.131 1.00 0.00 C ATOM 1336 OH TYR A 531 -3.912 -4.087 16.597 1.00 0.00 O ATOM 0 H TYR A 531 -5.631 -9.602 14.258 1.00 0.00 H new ATOM 0 HA TYR A 531 -7.319 -9.305 15.669 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.273 -7.214 13.671 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -8.883 -7.400 15.303 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -7.031 -7.288 17.214 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.524 -5.703 13.291 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -5.264 -5.800 18.045 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.754 -4.217 14.119 1.00 0.00 H new ATOM 0 HH TYR A 531 -3.457 -4.511 17.354 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.488 -11.083 13.804 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.534 -11.980 13.350 1.00 0.00 C ATOM 1348 C GLY A 532 -10.139 -11.544 12.030 1.00 0.00 C ATOM 1349 O GLY A 532 -11.225 -11.991 11.660 1.00 0.00 O ATOM 0 H GLY A 532 -7.548 -11.478 13.786 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.126 -12.985 13.245 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.318 -12.032 14.106 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.437 -10.666 11.320 1.00 0.00 N ATOM 1354 CA ARG A 533 -9.914 -10.167 10.036 1.00 0.00 C ATOM 1355 C ARG A 533 -8.880 -10.410 8.941 1.00 0.00 C ATOM 1356 O ARG A 533 -7.716 -10.695 9.224 1.00 0.00 O ATOM 1357 CB ARG A 533 -10.229 -8.673 10.132 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.468 -8.363 10.956 1.00 0.00 C ATOM 1359 CD ARG A 533 -12.149 -7.089 10.482 1.00 0.00 C ATOM 1360 NE ARG A 533 -13.537 -7.011 10.929 1.00 0.00 N ATOM 1361 CZ ARG A 533 -13.892 -6.702 12.172 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -12.966 -6.444 13.085 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -15.176 -6.651 12.502 1.00 0.00 N ATOM 0 H ARG A 533 -8.537 -10.286 11.612 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.825 -10.708 9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -9.374 -8.158 10.569 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.362 -8.273 9.127 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -12.167 -9.196 10.891 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -11.192 -8.260 12.005 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -11.599 -6.224 10.854 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -12.116 -7.044 9.393 1.00 0.00 H new ATOM 0 HE ARG A 533 -14.274 -7.204 10.251 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -11.978 -6.482 12.834 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -13.242 -6.207 14.038 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -15.891 -6.849 11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -15.448 -6.414 13.456 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.314 -10.297 7.690 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.427 -10.507 6.552 1.00 0.00 C ATOM 1379 C ARG A 534 -8.067 -9.179 5.891 1.00 0.00 C ATOM 1380 O ARG A 534 -8.858 -8.235 5.900 1.00 0.00 O ATOM 1381 CB ARG A 534 -9.084 -11.436 5.530 1.00 0.00 C ATOM 1382 CG ARG A 534 -8.309 -11.556 4.228 1.00 0.00 C ATOM 1383 CD ARG A 534 -8.581 -12.883 3.537 1.00 0.00 C ATOM 1384 NE ARG A 534 -9.943 -12.958 3.013 1.00 0.00 N ATOM 1385 CZ ARG A 534 -10.398 -13.977 2.294 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -9.605 -15.002 2.014 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -11.649 -13.972 1.852 1.00 0.00 N ATOM 0 H ARG A 534 -10.274 -10.061 7.439 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.511 -10.971 6.918 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -9.193 -12.427 5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -10.088 -11.071 5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.583 -10.736 3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -7.242 -11.461 4.429 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -7.871 -13.019 2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -8.418 -13.699 4.241 1.00 0.00 H new ATOM 0 HE ARG A 534 -10.579 -12.185 3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -8.642 -15.009 2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -9.958 -15.783 1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -12.262 -13.185 2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -11.998 -14.755 1.300 1.00 0.00 H new ATOM 1401 N LEU A 535 -6.870 -9.114 5.319 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.405 -7.902 4.653 1.00 0.00 C ATOM 1403 C LEU A 535 -6.153 -8.158 3.171 1.00 0.00 C ATOM 1404 O LEU A 535 -5.465 -9.110 2.802 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.126 -7.390 5.319 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.212 -7.126 6.822 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -3.973 -6.388 7.306 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.469 -6.336 7.155 1.00 0.00 C ATOM 0 H LEU A 535 -6.204 -9.886 5.303 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.183 -7.145 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.333 -8.116 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -4.828 -6.466 4.824 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.263 -8.085 7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -4.052 -6.209 8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.088 -6.991 7.103 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.890 -5.435 6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.513 -6.158 8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -6.449 -5.381 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.347 -6.902 6.845 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.713 -7.300 2.324 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.547 -7.430 0.881 1.00 0.00 C ATOM 1422 C VAL A 536 -5.301 -6.692 0.403 1.00 0.00 C ATOM 1423 O VAL A 536 -5.114 -5.511 0.699 1.00 0.00 O ATOM 1424 CB VAL A 536 -7.774 -6.889 0.124 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -7.529 -6.916 -1.377 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -9.017 -7.689 0.483 1.00 0.00 C ATOM 0 H VAL A 536 -7.286 -6.507 2.612 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.439 -8.494 0.669 1.00 0.00 H new ATOM 0 HB VAL A 536 -7.937 -5.854 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -8.407 -6.530 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -6.665 -6.296 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.340 -7.941 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -9.874 -7.293 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -8.867 -8.734 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.201 -7.614 1.555 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.453 -7.395 -0.339 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.224 -6.807 -0.860 1.00 0.00 C ATOM 1438 C LEU A 537 -3.397 -6.385 -2.316 1.00 0.00 C ATOM 1439 O LEU A 537 -3.626 -7.220 -3.190 1.00 0.00 O ATOM 1440 CB LEU A 537 -2.068 -7.801 -0.739 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.303 -7.782 0.585 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -0.437 -6.536 0.684 1.00 0.00 C ATOM 1443 CD2 LEU A 537 -2.267 -7.859 1.759 1.00 0.00 C ATOM 0 H LEU A 537 -4.594 -8.373 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 537 -2.996 -5.920 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -2.461 -8.806 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.362 -7.607 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 537 -0.651 -8.655 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 537 0.100 -6.540 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 537 0.279 -6.524 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -1.068 -5.649 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -1.705 -7.844 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -2.945 -7.006 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -2.843 -8.782 1.697 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.283 -5.085 -2.568 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.425 -4.554 -3.919 1.00 0.00 C ATOM 1457 C GLU A 538 -2.372 -3.485 -4.197 1.00 0.00 C ATOM 1458 O GLU A 538 -1.740 -2.967 -3.276 1.00 0.00 O ATOM 1459 CB GLU A 538 -4.826 -3.970 -4.116 1.00 0.00 C ATOM 1460 CG GLU A 538 -5.925 -5.019 -4.143 1.00 0.00 C ATOM 1461 CD GLU A 538 -7.302 -4.416 -4.339 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -7.483 -3.228 -3.997 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -8.198 -5.130 -4.834 1.00 0.00 O ATOM 0 H GLU A 538 -3.093 -4.380 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.279 -5.374 -4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.031 -3.262 -3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -4.848 -3.409 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -5.725 -5.728 -4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -5.908 -5.581 -3.209 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.190 -3.161 -5.472 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.214 -2.154 -5.872 1.00 0.00 C ATOM 1472 C TRP A 539 -1.899 -0.835 -6.212 1.00 0.00 C ATOM 1473 O TRP A 539 -3.062 -0.816 -6.615 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.405 -2.647 -7.073 1.00 0.00 C ATOM 1475 CG TRP A 539 0.506 -3.791 -6.746 1.00 0.00 C ATOM 1476 CD1 TRP A 539 0.162 -5.108 -6.639 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.912 -3.718 -6.482 1.00 0.00 C ATOM 1478 NE1 TRP A 539 1.269 -5.859 -6.324 1.00 0.00 N ATOM 1479 CE2 TRP A 539 2.355 -5.030 -6.223 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.839 -2.674 -6.442 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.684 -5.322 -5.927 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 4.157 -2.965 -6.147 1.00 0.00 C ATOM 1483 CH2 TRP A 539 4.570 -4.280 -5.894 1.00 0.00 C ATOM 0 H TRP A 539 -2.705 -3.581 -6.246 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.539 -1.985 -5.033 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.091 -2.952 -7.863 1.00 0.00 H new ATOM 0 HB3 TRP A 539 0.187 -1.821 -7.467 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -0.834 -5.502 -6.781 1.00 0.00 H new ATOM 0 HE1 TRP A 539 1.280 -6.870 -6.188 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.531 -1.658 -6.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 4.004 -6.335 -5.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.882 -2.165 -6.111 1.00 0.00 H new ATOM 0 HH2 TRP A 539 5.608 -4.475 -5.669 1.00 0.00 H new