USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 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 52:sc= 1.17 USER MOD Single : A 463 LYS NZ :NH3+ 156:sc= -0.573 (180deg=-1.2) USER MOD Single : A 468 ASN : amide:sc= 0.69 K(o=0.69,f=-0.16) USER MOD Single : A 472 GLN : amide:sc=-0.00633 X(o=-0.0063,f=-0.0062) USER MOD Single : A 474 ASN : amide:sc= -0.384 K(o=-0.38,f=-2.8!) USER MOD Single : A 475 GLN : amide:sc= 0.0997 X(o=0.1,f=0) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD Single : A 484 THR OG1 : rot 67:sc= 1.11 USER MOD Single : A 489 LYS NZ :NH3+ -165:sc= -0.0913 (180deg=-0.398) USER MOD Single : A 490 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 THR OG1 : rot 165:sc= -0.316 USER MOD Single : A 514 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.37) 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=-0.14) USER MOD Single : A 525 CYS SG : rot 180:sc= 0 USER MOD Single : A 526 HIS :FLIP no HD1:sc= -0.644 F(o=-1.3,f=-0.64) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 THR OG1 : rot -32:sc= 0.353 USER MOD Single : A 529 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.7!) USER MOD Single : A 531 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N SER A 462 6.229 0.832 -7.136 1.00 0.00 N ATOM 203 CA SER A 462 6.263 0.301 -5.779 1.00 0.00 C ATOM 204 C SER A 462 5.217 0.982 -4.902 1.00 0.00 C ATOM 205 O SER A 462 5.505 1.968 -4.222 1.00 0.00 O ATOM 206 CB SER A 462 7.655 0.487 -5.171 1.00 0.00 C ATOM 207 OG SER A 462 7.963 1.862 -5.014 1.00 0.00 O ATOM 0 HA SER A 462 6.034 -0.764 -5.826 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.702 -0.012 -4.203 1.00 0.00 H new ATOM 0 HB3 SER A 462 8.401 0.015 -5.810 1.00 0.00 H new ATOM 0 HG SER A 462 7.234 2.308 -4.534 1.00 0.00 H new ATOM 213 N LYS A 463 4.000 0.450 -4.922 1.00 0.00 N ATOM 214 CA LYS A 463 2.909 1.004 -4.129 1.00 0.00 C ATOM 215 C LYS A 463 1.966 -0.098 -3.657 1.00 0.00 C ATOM 216 O LYS A 463 1.280 -0.728 -4.462 1.00 0.00 O ATOM 217 CB LYS A 463 2.132 2.039 -4.946 1.00 0.00 C ATOM 218 CG LYS A 463 2.744 3.428 -4.907 1.00 0.00 C ATOM 219 CD LYS A 463 2.210 4.241 -3.740 1.00 0.00 C ATOM 220 CE LYS A 463 0.963 5.021 -4.128 1.00 0.00 C ATOM 221 NZ LYS A 463 -0.230 4.137 -4.243 1.00 0.00 N ATOM 0 H LYS A 463 3.744 -0.365 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 463 3.340 1.490 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 463 2.076 1.705 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 463 1.109 2.091 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 463 3.828 3.347 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 463 2.530 3.947 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 463 1.980 3.576 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 463 2.979 4.931 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 463 0.772 5.794 -3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 463 1.132 5.528 -5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -1.094 4.699 -4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -0.250 3.702 -5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -0.181 3.392 -3.519 1.00 0.00 H new ATOM 235 N ILE A 464 1.936 -0.323 -2.348 1.00 0.00 N ATOM 236 CA ILE A 464 1.074 -1.347 -1.769 1.00 0.00 C ATOM 237 C ILE A 464 -0.083 -0.721 -0.999 1.00 0.00 C ATOM 238 O ILE A 464 0.126 0.029 -0.044 1.00 0.00 O ATOM 239 CB ILE A 464 1.861 -2.277 -0.826 1.00 0.00 C ATOM 240 CG1 ILE A 464 2.971 -2.998 -1.593 1.00 0.00 C ATOM 241 CG2 ILE A 464 0.925 -3.281 -0.170 1.00 0.00 C ATOM 242 CD1 ILE A 464 3.850 -3.861 -0.716 1.00 0.00 C ATOM 0 H ILE A 464 2.498 0.189 -1.668 1.00 0.00 H new ATOM 0 HA ILE A 464 0.679 -1.933 -2.599 1.00 0.00 H new ATOM 0 HB ILE A 464 2.320 -1.672 -0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.521 -3.620 -2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.591 -2.258 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.496 -3.931 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 464 0.167 -2.750 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.440 -3.883 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.614 -4.341 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.328 -3.241 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.242 -4.624 -0.230 1.00 0.00 H new ATOM 254 N LEU A 465 -1.304 -1.034 -1.418 1.00 0.00 N ATOM 255 CA LEU A 465 -2.497 -0.504 -0.767 1.00 0.00 C ATOM 256 C LEU A 465 -3.278 -1.615 -0.073 1.00 0.00 C ATOM 257 O LEU A 465 -3.817 -2.510 -0.725 1.00 0.00 O ATOM 258 CB LEU A 465 -3.389 0.201 -1.790 1.00 0.00 C ATOM 259 CG LEU A 465 -4.850 0.398 -1.382 1.00 0.00 C ATOM 260 CD1 LEU A 465 -4.966 1.474 -0.314 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.698 0.754 -2.595 1.00 0.00 C ATOM 0 H LEU A 465 -1.494 -1.653 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.180 0.217 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -2.958 1.178 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.365 -0.370 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.221 -0.539 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.013 1.600 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.391 1.179 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.578 2.416 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.735 0.891 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.327 1.677 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.640 -0.051 -3.328 1.00 0.00 H new ATOM 273 N VAL A 466 -3.337 -1.551 1.253 1.00 0.00 N ATOM 274 CA VAL A 466 -4.055 -2.550 2.036 1.00 0.00 C ATOM 275 C VAL A 466 -5.473 -2.087 2.349 1.00 0.00 C ATOM 276 O VAL A 466 -5.682 -0.969 2.820 1.00 0.00 O ATOM 277 CB VAL A 466 -3.325 -2.860 3.356 1.00 0.00 C ATOM 278 CG1 VAL A 466 -3.008 -1.576 4.106 1.00 0.00 C ATOM 279 CG2 VAL A 466 -4.157 -3.798 4.217 1.00 0.00 C ATOM 0 H VAL A 466 -2.896 -0.818 1.808 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.096 -3.456 1.431 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.384 -3.357 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.492 -1.816 5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.370 -0.943 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.935 -1.048 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.626 -4.006 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -5.115 -3.330 4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.327 -4.731 3.679 1.00 0.00 H new ATOM 289 N ARG A 467 -6.445 -2.954 2.084 1.00 0.00 N ATOM 290 CA ARG A 467 -7.845 -2.634 2.337 1.00 0.00 C ATOM 291 C ARG A 467 -8.462 -3.628 3.316 1.00 0.00 C ATOM 292 O ARG A 467 -7.873 -4.666 3.615 1.00 0.00 O ATOM 293 CB ARG A 467 -8.635 -2.634 1.027 1.00 0.00 C ATOM 294 CG ARG A 467 -8.666 -1.282 0.333 1.00 0.00 C ATOM 295 CD ARG A 467 -9.454 -1.340 -0.965 1.00 0.00 C ATOM 296 NE ARG A 467 -9.466 -0.054 -1.657 1.00 0.00 N ATOM 297 CZ ARG A 467 -10.254 0.958 -1.313 1.00 0.00 C ATOM 298 NH1 ARG A 467 -11.090 0.834 -0.292 1.00 0.00 N ATOM 299 NH2 ARG A 467 -10.206 2.098 -1.991 1.00 0.00 N ATOM 0 H ARG A 467 -6.289 -3.884 1.694 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.890 -1.639 2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.200 -3.370 0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.658 -2.952 1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -9.111 -0.541 0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.647 -0.954 0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -9.022 -2.099 -1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -10.478 -1.647 -0.754 1.00 0.00 H new ATOM 0 HE ARG A 467 -8.835 0.074 -2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -11.129 -0.040 0.232 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -11.694 1.613 -0.030 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -9.564 2.197 -2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -10.812 2.875 -1.726 1.00 0.00 H new ATOM 313 N ASN A 468 -9.650 -3.302 3.813 1.00 0.00 N ATOM 314 CA ASN A 468 -10.347 -4.165 4.759 1.00 0.00 C ATOM 315 C ASN A 468 -9.588 -4.248 6.081 1.00 0.00 C ATOM 316 O ASN A 468 -9.471 -5.320 6.675 1.00 0.00 O ATOM 317 CB ASN A 468 -10.521 -5.567 4.170 1.00 0.00 C ATOM 318 CG ASN A 468 -11.753 -6.270 4.705 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.862 -5.740 4.638 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.564 -7.470 5.242 1.00 0.00 N ATOM 0 H ASN A 468 -10.151 -2.446 3.576 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.330 -3.733 4.950 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.589 -5.496 3.084 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.638 -6.165 4.396 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.356 -7.990 5.620 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.627 -7.871 5.277 1.00 0.00 H new ATOM 327 N ILE A 469 -9.075 -3.109 6.534 1.00 0.00 N ATOM 328 CA ILE A 469 -8.330 -3.052 7.785 1.00 0.00 C ATOM 329 C ILE A 469 -9.265 -2.857 8.974 1.00 0.00 C ATOM 330 O ILE A 469 -10.207 -2.066 8.931 1.00 0.00 O ATOM 331 CB ILE A 469 -7.292 -1.914 7.771 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.367 -2.053 6.560 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.488 -1.914 9.062 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.609 -0.786 6.230 1.00 0.00 C ATOM 0 H ILE A 469 -9.162 -2.214 6.053 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.811 -4.005 7.886 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.819 -0.963 7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.653 -2.855 6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.958 -2.349 5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.759 -1.104 9.037 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.159 -1.771 9.909 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -5.969 -2.867 9.167 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.973 -0.958 5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -6.316 0.014 6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.991 -0.500 7.081 1.00 0.00 H new ATOM 346 N PRO A 470 -8.999 -3.595 10.062 1.00 0.00 N ATOM 347 CA PRO A 470 -9.804 -3.519 11.285 1.00 0.00 C ATOM 348 C PRO A 470 -9.623 -2.194 12.018 1.00 0.00 C ATOM 349 O PRO A 470 -8.669 -1.459 11.764 1.00 0.00 O ATOM 350 CB PRO A 470 -9.271 -4.677 12.133 1.00 0.00 C ATOM 351 CG PRO A 470 -7.877 -4.889 11.650 1.00 0.00 C ATOM 352 CD PRO A 470 -7.892 -4.558 10.183 1.00 0.00 C ATOM 0 HA PRO A 470 -10.872 -3.583 11.074 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.289 -4.431 13.195 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -9.876 -5.574 12.003 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -7.176 -4.250 12.187 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.559 -5.919 11.814 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -6.946 -4.125 9.859 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -8.062 -5.445 9.573 1.00 0.00 H new ATOM 360 N PHE A 471 -10.544 -1.896 12.929 1.00 0.00 N ATOM 361 CA PHE A 471 -10.485 -0.659 13.698 1.00 0.00 C ATOM 362 C PHE A 471 -9.286 -0.662 14.642 1.00 0.00 C ATOM 363 O PHE A 471 -8.579 0.338 14.765 1.00 0.00 O ATOM 364 CB PHE A 471 -11.776 -0.469 14.497 1.00 0.00 C ATOM 365 CG PHE A 471 -11.604 0.384 15.721 1.00 0.00 C ATOM 366 CD1 PHE A 471 -11.001 1.629 15.635 1.00 0.00 C ATOM 367 CD2 PHE A 471 -12.045 -0.058 16.958 1.00 0.00 C ATOM 368 CE1 PHE A 471 -10.841 2.416 16.760 1.00 0.00 C ATOM 369 CE2 PHE A 471 -11.887 0.724 18.086 1.00 0.00 C ATOM 370 CZ PHE A 471 -11.285 1.963 17.987 1.00 0.00 C ATOM 0 H PHE A 471 -11.339 -2.494 13.152 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.373 0.169 12.999 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -12.530 -0.017 13.852 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -12.156 -1.446 14.795 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -10.652 1.988 14.678 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -12.518 -1.025 17.041 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -10.369 3.384 16.680 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -12.234 0.367 19.044 1.00 0.00 H new ATOM 0 HZ PHE A 471 -11.162 2.576 18.867 1.00 0.00 H new ATOM 380 N GLN A 472 -9.065 -1.792 15.305 1.00 0.00 N ATOM 381 CA GLN A 472 -7.953 -1.924 16.239 1.00 0.00 C ATOM 382 C GLN A 472 -6.627 -1.604 15.555 1.00 0.00 C ATOM 383 O GLN A 472 -5.714 -1.061 16.175 1.00 0.00 O ATOM 384 CB GLN A 472 -7.912 -3.339 16.819 1.00 0.00 C ATOM 385 CG GLN A 472 -8.724 -3.497 18.094 1.00 0.00 C ATOM 386 CD GLN A 472 -10.180 -3.819 17.823 1.00 0.00 C ATOM 387 OE1 GLN A 472 -11.063 -2.989 18.042 1.00 0.00 O ATOM 388 NE2 GLN A 472 -10.440 -5.030 17.342 1.00 0.00 N ATOM 0 H GLN A 472 -9.641 -2.629 15.213 1.00 0.00 H new ATOM 0 HA GLN A 472 -8.105 -1.211 17.049 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -8.284 -4.040 16.072 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -6.876 -3.610 17.022 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -8.288 -4.290 18.702 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -8.662 -2.578 18.676 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -9.678 -5.687 17.175 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -11.402 -5.303 17.139 1.00 0.00 H new ATOM 397 N ALA A 473 -6.531 -1.944 14.274 1.00 0.00 N ATOM 398 CA ALA A 473 -5.318 -1.691 13.506 1.00 0.00 C ATOM 399 C ALA A 473 -5.185 -0.212 13.161 1.00 0.00 C ATOM 400 O ALA A 473 -6.154 0.430 12.758 1.00 0.00 O ATOM 401 CB ALA A 473 -5.311 -2.533 12.239 1.00 0.00 C ATOM 0 H ALA A 473 -7.278 -2.395 13.746 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.463 -1.972 14.121 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.400 -2.334 11.675 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.350 -3.590 12.504 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.178 -2.279 11.629 1.00 0.00 H new ATOM 407 N ASN A 474 -3.979 0.323 13.323 1.00 0.00 N ATOM 408 CA ASN A 474 -3.720 1.728 13.030 1.00 0.00 C ATOM 409 C ASN A 474 -2.474 1.882 12.164 1.00 0.00 C ATOM 410 O ASN A 474 -1.777 0.907 11.884 1.00 0.00 O ATOM 411 CB ASN A 474 -3.553 2.519 14.329 1.00 0.00 C ATOM 412 CG ASN A 474 -4.882 2.846 14.982 1.00 0.00 C ATOM 413 OD1 ASN A 474 -5.918 2.286 14.622 1.00 0.00 O ATOM 414 ND2 ASN A 474 -4.858 3.757 15.948 1.00 0.00 N ATOM 0 H ASN A 474 -3.166 -0.195 13.656 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.574 2.122 12.480 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -2.941 1.945 15.025 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -3.016 3.444 14.121 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -5.721 4.018 16.424 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -3.976 4.195 16.214 1.00 0.00 H new ATOM 421 N GLN A 475 -2.201 3.113 11.743 1.00 0.00 N ATOM 422 CA GLN A 475 -1.039 3.394 10.909 1.00 0.00 C ATOM 423 C GLN A 475 0.196 2.668 11.432 1.00 0.00 C ATOM 424 O GLN A 475 0.909 2.010 10.674 1.00 0.00 O ATOM 425 CB GLN A 475 -0.775 4.900 10.856 1.00 0.00 C ATOM 426 CG GLN A 475 0.537 5.265 10.180 1.00 0.00 C ATOM 427 CD GLN A 475 0.941 6.704 10.428 1.00 0.00 C ATOM 428 OE1 GLN A 475 1.330 7.069 11.538 1.00 0.00 O ATOM 429 NE2 GLN A 475 0.852 7.532 9.394 1.00 0.00 N ATOM 0 H GLN A 475 -2.768 3.931 11.966 1.00 0.00 H new ATOM 0 HA GLN A 475 -1.251 3.033 9.902 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -1.594 5.386 10.326 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -0.773 5.296 11.872 1.00 0.00 H new ATOM 0 HG2 GLN A 475 1.324 4.603 10.542 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.447 5.097 9.107 1.00 0.00 H new ATOM 0 HE21 GLN A 475 0.525 7.188 8.491 1.00 0.00 H new ATOM 0 HE22 GLN A 475 1.111 8.513 9.502 1.00 0.00 H new ATOM 438 N ARG A 476 0.443 2.791 12.732 1.00 0.00 N ATOM 439 CA ARG A 476 1.592 2.147 13.356 1.00 0.00 C ATOM 440 C ARG A 476 1.613 0.653 13.046 1.00 0.00 C ATOM 441 O ARG A 476 2.594 0.133 12.517 1.00 0.00 O ATOM 442 CB ARG A 476 1.567 2.365 14.870 1.00 0.00 C ATOM 443 CG ARG A 476 2.944 2.344 15.512 1.00 0.00 C ATOM 444 CD ARG A 476 3.420 0.922 15.763 1.00 0.00 C ATOM 445 NE ARG A 476 4.761 0.887 16.341 1.00 0.00 N ATOM 446 CZ ARG A 476 5.009 1.072 17.633 1.00 0.00 C ATOM 447 NH1 ARG A 476 4.012 1.303 18.476 1.00 0.00 N ATOM 448 NH2 ARG A 476 6.256 1.026 18.083 1.00 0.00 N ATOM 0 H ARG A 476 -0.138 3.331 13.374 1.00 0.00 H new ATOM 0 HA ARG A 476 2.496 2.598 12.946 1.00 0.00 H new ATOM 0 HB2 ARG A 476 1.091 3.322 15.083 1.00 0.00 H new ATOM 0 HB3 ARG A 476 0.950 1.593 15.329 1.00 0.00 H new ATOM 0 HG2 ARG A 476 3.656 2.858 14.866 1.00 0.00 H new ATOM 0 HG3 ARG A 476 2.916 2.891 16.454 1.00 0.00 H new ATOM 0 HD2 ARG A 476 2.723 0.420 16.434 1.00 0.00 H new ATOM 0 HD3 ARG A 476 3.415 0.367 14.825 1.00 0.00 H new ATOM 0 HE ARG A 476 5.550 0.711 15.719 1.00 0.00 H new ATOM 0 HH11 ARG A 476 3.052 1.339 18.133 1.00 0.00 H new ATOM 0 HH12 ARG A 476 4.205 1.445 19.468 1.00 0.00 H new ATOM 0 HH21 ARG A 476 7.025 0.849 17.437 1.00 0.00 H new ATOM 0 HH22 ARG A 476 6.446 1.168 19.075 1.00 0.00 H new ATOM 462 N GLU A 477 0.523 -0.030 13.382 1.00 0.00 N ATOM 463 CA GLU A 477 0.418 -1.465 13.141 1.00 0.00 C ATOM 464 C GLU A 477 0.879 -1.814 11.729 1.00 0.00 C ATOM 465 O GLU A 477 1.648 -2.756 11.532 1.00 0.00 O ATOM 466 CB GLU A 477 -1.023 -1.935 13.349 1.00 0.00 C ATOM 467 CG GLU A 477 -1.367 -2.217 14.802 1.00 0.00 C ATOM 468 CD GLU A 477 -0.307 -3.044 15.502 1.00 0.00 C ATOM 469 OE1 GLU A 477 -0.068 -4.192 15.071 1.00 0.00 O ATOM 470 OE2 GLU A 477 0.285 -2.543 16.482 1.00 0.00 O ATOM 0 H GLU A 477 -0.298 0.386 13.821 1.00 0.00 H new ATOM 0 HA GLU A 477 1.066 -1.976 13.853 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.703 -1.175 12.964 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.190 -2.839 12.763 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -1.494 -1.273 15.331 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -2.322 -2.741 14.850 1.00 0.00 H new ATOM 477 N ILE A 478 0.404 -1.050 10.751 1.00 0.00 N ATOM 478 CA ILE A 478 0.768 -1.279 9.358 1.00 0.00 C ATOM 479 C ILE A 478 2.261 -1.061 9.137 1.00 0.00 C ATOM 480 O ILE A 478 2.956 -1.935 8.620 1.00 0.00 O ATOM 481 CB ILE A 478 -0.020 -0.354 8.412 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.525 -0.582 8.576 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.402 -0.589 6.969 1.00 0.00 C ATOM 484 CD1 ILE A 478 -1.953 -2.008 8.306 1.00 0.00 C ATOM 0 H ILE A 478 -0.234 -0.267 10.897 1.00 0.00 H new ATOM 0 HA ILE A 478 0.517 -2.315 9.132 1.00 0.00 H new ATOM 0 HB ILE A 478 0.202 0.681 8.672 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.817 -0.309 9.590 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -2.061 0.084 7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.164 0.072 6.312 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.467 -0.382 6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.206 -1.626 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -3.031 -2.096 8.441 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.692 -2.279 7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.445 -2.678 8.999 1.00 0.00 H new ATOM 496 N ARG A 479 2.747 0.110 9.535 1.00 0.00 N ATOM 497 CA ARG A 479 4.158 0.443 9.381 1.00 0.00 C ATOM 498 C ARG A 479 5.042 -0.734 9.784 1.00 0.00 C ATOM 499 O ARG A 479 5.891 -1.177 9.011 1.00 0.00 O ATOM 500 CB ARG A 479 4.510 1.670 10.223 1.00 0.00 C ATOM 501 CG ARG A 479 5.639 2.505 9.642 1.00 0.00 C ATOM 502 CD ARG A 479 5.604 3.932 10.168 1.00 0.00 C ATOM 503 NE ARG A 479 5.642 3.979 11.627 1.00 0.00 N ATOM 504 CZ ARG A 479 6.729 3.711 12.343 1.00 0.00 C ATOM 505 NH1 ARG A 479 7.861 3.380 11.737 1.00 0.00 N ATOM 506 NH2 ARG A 479 6.684 3.775 13.668 1.00 0.00 N ATOM 0 H ARG A 479 2.185 0.844 9.966 1.00 0.00 H new ATOM 0 HA ARG A 479 4.339 0.668 8.330 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.623 2.295 10.326 1.00 0.00 H new ATOM 0 HB3 ARG A 479 4.789 1.344 11.225 1.00 0.00 H new ATOM 0 HG2 ARG A 479 6.597 2.048 9.891 1.00 0.00 H new ATOM 0 HG3 ARG A 479 5.563 2.515 8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 479 6.451 4.488 9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 479 4.700 4.427 9.813 1.00 0.00 H new ATOM 0 HE ARG A 479 4.788 4.231 12.124 1.00 0.00 H new ATOM 0 HH11 ARG A 479 7.899 3.331 10.719 1.00 0.00 H new ATOM 0 HH12 ARG A 479 8.694 3.175 12.289 1.00 0.00 H new ATOM 0 HH21 ARG A 479 5.815 4.030 14.137 1.00 0.00 H new ATOM 0 HH22 ARG A 479 7.519 3.569 14.217 1.00 0.00 H new ATOM 520 N GLU A 480 4.835 -1.234 10.998 1.00 0.00 N ATOM 521 CA GLU A 480 5.614 -2.358 11.503 1.00 0.00 C ATOM 522 C GLU A 480 5.303 -3.631 10.721 1.00 0.00 C ATOM 523 O GLU A 480 6.197 -4.422 10.419 1.00 0.00 O ATOM 524 CB GLU A 480 5.329 -2.578 12.990 1.00 0.00 C ATOM 525 CG GLU A 480 5.676 -1.381 13.860 1.00 0.00 C ATOM 526 CD GLU A 480 5.780 -1.738 15.330 1.00 0.00 C ATOM 527 OE1 GLU A 480 4.724 -1.870 15.983 1.00 0.00 O ATOM 528 OE2 GLU A 480 6.916 -1.885 15.827 1.00 0.00 O ATOM 0 H GLU A 480 4.135 -0.879 11.649 1.00 0.00 H new ATOM 0 HA GLU A 480 6.670 -2.122 11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 480 4.273 -2.815 13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 480 5.894 -3.444 13.335 1.00 0.00 H new ATOM 0 HG2 GLU A 480 6.622 -0.956 13.526 1.00 0.00 H new ATOM 0 HG3 GLU A 480 4.917 -0.610 13.730 1.00 0.00 H new ATOM 535 N LEU A 481 4.028 -3.822 10.397 1.00 0.00 N ATOM 536 CA LEU A 481 3.597 -4.999 9.651 1.00 0.00 C ATOM 537 C LEU A 481 4.487 -5.228 8.433 1.00 0.00 C ATOM 538 O LEU A 481 5.024 -6.319 8.240 1.00 0.00 O ATOM 539 CB LEU A 481 2.141 -4.842 9.210 1.00 0.00 C ATOM 540 CG LEU A 481 1.514 -6.054 8.521 1.00 0.00 C ATOM 541 CD1 LEU A 481 1.108 -7.101 9.546 1.00 0.00 C ATOM 542 CD2 LEU A 481 0.315 -5.632 7.684 1.00 0.00 C ATOM 0 H LEU A 481 3.276 -3.177 10.639 1.00 0.00 H new ATOM 0 HA LEU A 481 3.681 -5.865 10.307 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.541 -4.597 10.087 1.00 0.00 H new ATOM 0 HB3 LEU A 481 2.077 -3.991 8.532 1.00 0.00 H new ATOM 0 HG LEU A 481 2.258 -6.494 7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.664 -7.956 9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 481 1.987 -7.427 10.102 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.381 -6.672 10.236 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.118 -6.508 7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.432 -5.166 8.327 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.635 -4.920 6.924 1.00 0.00 H new ATOM 554 N PHE A 482 4.640 -4.192 7.616 1.00 0.00 N ATOM 555 CA PHE A 482 5.466 -4.279 6.417 1.00 0.00 C ATOM 556 C PHE A 482 6.939 -4.069 6.755 1.00 0.00 C ATOM 557 O PHE A 482 7.801 -4.839 6.329 1.00 0.00 O ATOM 558 CB PHE A 482 5.016 -3.243 5.385 1.00 0.00 C ATOM 559 CG PHE A 482 3.719 -3.592 4.712 1.00 0.00 C ATOM 560 CD1 PHE A 482 2.508 -3.303 5.320 1.00 0.00 C ATOM 561 CD2 PHE A 482 3.712 -4.209 3.471 1.00 0.00 C ATOM 562 CE1 PHE A 482 1.313 -3.623 4.703 1.00 0.00 C ATOM 563 CE2 PHE A 482 2.520 -4.530 2.849 1.00 0.00 C ATOM 564 CZ PHE A 482 1.319 -4.238 3.467 1.00 0.00 C ATOM 0 H PHE A 482 4.203 -3.282 7.762 1.00 0.00 H new ATOM 0 HA PHE A 482 5.346 -5.277 5.996 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.913 -2.275 5.875 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.792 -3.136 4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 482 2.497 -2.822 6.287 1.00 0.00 H new ATOM 0 HD2 PHE A 482 4.648 -4.441 2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 482 0.376 -3.392 5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 482 2.527 -5.009 1.881 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.387 -4.490 2.984 1.00 0.00 H new ATOM 574 N SER A 483 7.221 -3.022 7.524 1.00 0.00 N ATOM 575 CA SER A 483 8.589 -2.708 7.917 1.00 0.00 C ATOM 576 C SER A 483 9.384 -3.982 8.184 1.00 0.00 C ATOM 577 O SER A 483 10.579 -4.056 7.894 1.00 0.00 O ATOM 578 CB SER A 483 8.594 -1.820 9.162 1.00 0.00 C ATOM 579 OG SER A 483 9.917 -1.565 9.602 1.00 0.00 O ATOM 0 H SER A 483 6.520 -2.377 7.887 1.00 0.00 H new ATOM 0 HA SER A 483 9.062 -2.171 7.095 1.00 0.00 H new ATOM 0 HB2 SER A 483 8.093 -0.877 8.942 1.00 0.00 H new ATOM 0 HB3 SER A 483 8.029 -2.303 9.959 1.00 0.00 H new ATOM 0 HG SER A 483 9.893 -0.994 10.398 1.00 0.00 H new ATOM 585 N THR A 484 8.712 -4.986 8.739 1.00 0.00 N ATOM 586 CA THR A 484 9.354 -6.258 9.047 1.00 0.00 C ATOM 587 C THR A 484 9.994 -6.866 7.805 1.00 0.00 C ATOM 588 O THR A 484 11.141 -7.313 7.840 1.00 0.00 O ATOM 589 CB THR A 484 8.350 -7.265 9.639 1.00 0.00 C ATOM 590 OG1 THR A 484 7.720 -6.706 10.797 1.00 0.00 O ATOM 591 CG2 THR A 484 9.045 -8.566 10.013 1.00 0.00 C ATOM 0 H THR A 484 7.723 -4.943 8.984 1.00 0.00 H new ATOM 0 HA THR A 484 10.128 -6.051 9.786 1.00 0.00 H new ATOM 0 HB THR A 484 7.595 -7.479 8.882 1.00 0.00 H new ATOM 0 HG1 THR A 484 7.151 -5.955 10.529 1.00 0.00 H new ATOM 0 HG21 THR A 484 8.316 -9.261 10.429 1.00 0.00 H new ATOM 0 HG22 THR A 484 9.499 -9.005 9.124 1.00 0.00 H new ATOM 0 HG23 THR A 484 9.819 -8.365 10.754 1.00 0.00 H new ATOM 599 N PHE A 485 9.247 -6.879 6.706 1.00 0.00 N ATOM 600 CA PHE A 485 9.742 -7.433 5.451 1.00 0.00 C ATOM 601 C PHE A 485 10.873 -6.578 4.888 1.00 0.00 C ATOM 602 O PHE A 485 11.784 -7.086 4.236 1.00 0.00 O ATOM 603 CB PHE A 485 8.606 -7.534 4.431 1.00 0.00 C ATOM 604 CG PHE A 485 7.684 -8.695 4.672 1.00 0.00 C ATOM 605 CD1 PHE A 485 6.648 -8.595 5.586 1.00 0.00 C ATOM 606 CD2 PHE A 485 7.854 -9.886 3.984 1.00 0.00 C ATOM 607 CE1 PHE A 485 5.799 -9.662 5.811 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.007 -10.956 4.204 1.00 0.00 C ATOM 609 CZ PHE A 485 5.978 -10.844 5.118 1.00 0.00 C ATOM 0 H PHE A 485 8.296 -6.512 6.659 1.00 0.00 H new ATOM 0 HA PHE A 485 10.131 -8.431 5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.027 -6.611 4.451 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.033 -7.621 3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 485 6.502 -7.673 6.129 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.657 -9.979 3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 485 4.996 -9.572 6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.150 -11.879 3.661 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.315 -11.678 5.291 1.00 0.00 H new ATOM 619 N GLY A 486 10.806 -5.275 5.144 1.00 0.00 N ATOM 620 CA GLY A 486 11.829 -4.369 4.655 1.00 0.00 C ATOM 621 C GLY A 486 11.539 -2.923 5.007 1.00 0.00 C ATOM 622 O GLY A 486 10.430 -2.589 5.420 1.00 0.00 O ATOM 0 H GLY A 486 10.062 -4.831 5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 486 12.794 -4.655 5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 486 11.910 -4.467 3.572 1.00 0.00 H new ATOM 626 N GLU A 487 12.540 -2.064 4.844 1.00 0.00 N ATOM 627 CA GLU A 487 12.387 -0.647 5.150 1.00 0.00 C ATOM 628 C GLU A 487 11.316 -0.012 4.268 1.00 0.00 C ATOM 629 O GLU A 487 11.245 -0.280 3.067 1.00 0.00 O ATOM 630 CB GLU A 487 13.718 0.085 4.961 1.00 0.00 C ATOM 631 CG GLU A 487 13.751 1.463 5.601 1.00 0.00 C ATOM 632 CD GLU A 487 14.094 1.413 7.077 1.00 0.00 C ATOM 633 OE1 GLU A 487 13.377 0.722 7.830 1.00 0.00 O ATOM 634 OE2 GLU A 487 15.081 2.065 7.478 1.00 0.00 O ATOM 0 H GLU A 487 13.465 -2.325 4.502 1.00 0.00 H new ATOM 0 HA GLU A 487 12.076 -0.558 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.520 -0.521 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 487 13.920 0.184 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 487 14.483 2.083 5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 487 12.780 1.942 5.474 1.00 0.00 H new ATOM 641 N LEU A 488 10.483 0.829 4.871 1.00 0.00 N ATOM 642 CA LEU A 488 9.414 1.502 4.142 1.00 0.00 C ATOM 643 C LEU A 488 9.746 2.975 3.926 1.00 0.00 C ATOM 644 O LEU A 488 10.561 3.551 4.646 1.00 0.00 O ATOM 645 CB LEU A 488 8.092 1.371 4.899 1.00 0.00 C ATOM 646 CG LEU A 488 7.676 -0.050 5.283 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.433 -0.024 6.160 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.434 -0.890 4.037 1.00 0.00 C ATOM 0 H LEU A 488 10.527 1.061 5.863 1.00 0.00 H new ATOM 0 HA LEU A 488 9.316 1.024 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.157 1.968 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.302 1.807 4.288 1.00 0.00 H new ATOM 0 HG LEU A 488 8.487 -0.504 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.152 -1.044 6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 488 6.641 0.541 7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.615 0.449 5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 488 7.139 -1.898 4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.641 -0.438 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 488 8.349 -0.937 3.446 1.00 0.00 H new ATOM 660 N LYS A 489 9.107 3.580 2.930 1.00 0.00 N ATOM 661 CA LYS A 489 9.330 4.987 2.621 1.00 0.00 C ATOM 662 C LYS A 489 8.397 5.878 3.434 1.00 0.00 C ATOM 663 O LYS A 489 8.817 6.896 3.985 1.00 0.00 O ATOM 664 CB LYS A 489 9.121 5.241 1.126 1.00 0.00 C ATOM 665 CG LYS A 489 10.340 4.923 0.278 1.00 0.00 C ATOM 666 CD LYS A 489 10.192 5.459 -1.136 1.00 0.00 C ATOM 667 CE LYS A 489 11.422 5.157 -1.978 1.00 0.00 C ATOM 668 NZ LYS A 489 12.668 5.670 -1.345 1.00 0.00 N ATOM 0 H LYS A 489 8.430 3.117 2.323 1.00 0.00 H new ATOM 0 HA LYS A 489 10.359 5.232 2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.280 4.641 0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.849 6.286 0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 489 11.228 5.354 0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 489 10.490 3.844 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 489 9.312 5.017 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 489 10.028 6.536 -1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 489 11.506 4.080 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 489 11.305 5.605 -2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 13.436 5.677 -2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 12.508 6.637 -0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 12.931 5.055 -0.549 1.00 0.00 H new ATOM 682 N THR A 490 7.128 5.488 3.507 1.00 0.00 N ATOM 683 CA THR A 490 6.135 6.251 4.253 1.00 0.00 C ATOM 684 C THR A 490 4.800 5.517 4.302 1.00 0.00 C ATOM 685 O THR A 490 4.448 4.787 3.376 1.00 0.00 O ATOM 686 CB THR A 490 5.919 7.646 3.637 1.00 0.00 C ATOM 687 OG1 THR A 490 4.985 8.391 4.426 1.00 0.00 O ATOM 688 CG2 THR A 490 5.407 7.533 2.209 1.00 0.00 C ATOM 0 H THR A 490 6.764 4.648 3.058 1.00 0.00 H new ATOM 0 HA THR A 490 6.521 6.365 5.266 1.00 0.00 H new ATOM 0 HB THR A 490 6.877 8.165 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 490 4.855 9.277 4.028 1.00 0.00 H new ATOM 0 HG21 THR A 490 5.262 8.531 1.795 1.00 0.00 H new ATOM 0 HG22 THR A 490 6.134 6.991 1.604 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.458 6.996 2.204 1.00 0.00 H new ATOM 696 N VAL A 491 4.061 5.715 5.388 1.00 0.00 N ATOM 697 CA VAL A 491 2.762 5.073 5.557 1.00 0.00 C ATOM 698 C VAL A 491 1.654 6.107 5.720 1.00 0.00 C ATOM 699 O VAL A 491 1.702 6.946 6.619 1.00 0.00 O ATOM 700 CB VAL A 491 2.756 4.133 6.777 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.382 3.505 6.960 1.00 0.00 C ATOM 702 CG2 VAL A 491 3.826 3.062 6.631 1.00 0.00 C ATOM 0 H VAL A 491 4.339 6.315 6.165 1.00 0.00 H new ATOM 0 HA VAL A 491 2.578 4.488 4.656 1.00 0.00 H new ATOM 0 HB VAL A 491 2.983 4.720 7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.397 2.844 7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 491 0.641 4.289 7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.123 2.931 6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 491 3.807 2.407 7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.634 2.476 5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 491 4.805 3.534 6.554 1.00 0.00 H new ATOM 712 N ARG A 492 0.658 6.041 4.843 1.00 0.00 N ATOM 713 CA ARG A 492 -0.463 6.973 4.889 1.00 0.00 C ATOM 714 C ARG A 492 -1.769 6.238 5.176 1.00 0.00 C ATOM 715 O ARG A 492 -2.256 5.469 4.347 1.00 0.00 O ATOM 716 CB ARG A 492 -0.574 7.735 3.567 1.00 0.00 C ATOM 717 CG ARG A 492 0.690 8.492 3.192 1.00 0.00 C ATOM 718 CD ARG A 492 0.568 9.134 1.819 1.00 0.00 C ATOM 719 NE ARG A 492 1.431 10.304 1.683 1.00 0.00 N ATOM 720 CZ ARG A 492 1.626 10.944 0.536 1.00 0.00 C ATOM 721 NH1 ARG A 492 1.022 10.530 -0.569 1.00 0.00 N ATOM 722 NH2 ARG A 492 2.427 12.002 0.493 1.00 0.00 N ATOM 0 H ARG A 492 0.604 5.353 4.092 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.281 7.683 5.696 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.815 7.031 2.771 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.403 8.439 3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 492 0.890 9.261 3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 492 1.540 7.810 3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 492 0.825 8.403 1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 492 -0.468 9.426 1.646 1.00 0.00 H new ATOM 0 HE ARG A 492 1.910 10.649 2.515 1.00 0.00 H new ATOM 0 HH11 ARG A 492 0.406 9.718 -0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 492 1.174 11.024 -1.449 1.00 0.00 H new ATOM 0 HH21 ARG A 492 2.893 12.324 1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 492 2.576 12.493 -0.388 1.00 0.00 H new ATOM 736 N LEU A 493 -2.331 6.481 6.355 1.00 0.00 N ATOM 737 CA LEU A 493 -3.581 5.843 6.753 1.00 0.00 C ATOM 738 C LEU A 493 -4.577 6.874 7.273 1.00 0.00 C ATOM 739 O LEU A 493 -4.214 7.846 7.935 1.00 0.00 O ATOM 740 CB LEU A 493 -3.317 4.785 7.826 1.00 0.00 C ATOM 741 CG LEU A 493 -3.025 3.372 7.319 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.532 3.182 7.100 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.559 2.334 8.295 1.00 0.00 C ATOM 0 H LEU A 493 -1.941 7.115 7.052 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.011 5.361 5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.472 5.114 8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -4.184 4.741 8.485 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.532 3.237 6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.343 2.171 6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.178 3.902 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -1.004 3.336 8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.342 1.335 7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.081 2.467 9.265 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.637 2.456 8.402 1.00 0.00 H new ATOM 899 N ARG A 504 -11.420 4.564 8.135 1.00 0.00 N ATOM 900 CA ARG A 504 -11.695 3.864 6.887 1.00 0.00 C ATOM 901 C ARG A 504 -10.720 2.707 6.686 1.00 0.00 C ATOM 902 O ARG A 504 -9.529 2.829 6.972 1.00 0.00 O ATOM 903 CB ARG A 504 -11.605 4.831 5.704 1.00 0.00 C ATOM 904 CG ARG A 504 -12.476 6.066 5.861 1.00 0.00 C ATOM 905 CD ARG A 504 -12.087 7.152 4.870 1.00 0.00 C ATOM 906 NE ARG A 504 -13.207 8.036 4.559 1.00 0.00 N ATOM 907 CZ ARG A 504 -14.230 7.683 3.788 1.00 0.00 C ATOM 908 NH1 ARG A 504 -14.275 6.471 3.254 1.00 0.00 N ATOM 909 NH2 ARG A 504 -15.212 8.544 3.552 1.00 0.00 N ATOM 0 HA ARG A 504 -12.706 3.460 6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -10.568 5.142 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -11.894 4.306 4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -13.522 5.796 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -12.385 6.450 6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -11.265 7.739 5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -11.723 6.691 3.952 1.00 0.00 H new ATOM 0 HE ARG A 504 -13.204 8.976 4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -13.523 5.806 3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -15.062 6.203 2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -15.182 9.477 3.963 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -15.997 8.272 2.960 1.00 0.00 H new ATOM 923 N GLY A 505 -11.234 1.585 6.193 1.00 0.00 N ATOM 924 CA GLY A 505 -10.396 0.422 5.964 1.00 0.00 C ATOM 925 C GLY A 505 -9.553 0.554 4.711 1.00 0.00 C ATOM 926 O GLY A 505 -9.828 -0.091 3.699 1.00 0.00 O ATOM 0 H GLY A 505 -12.216 1.460 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -9.743 0.273 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -11.024 -0.465 5.884 1.00 0.00 H new ATOM 930 N PHE A 506 -8.525 1.392 4.777 1.00 0.00 N ATOM 931 CA PHE A 506 -7.640 1.609 3.638 1.00 0.00 C ATOM 932 C PHE A 506 -6.343 2.281 4.077 1.00 0.00 C ATOM 933 O PHE A 506 -6.359 3.263 4.818 1.00 0.00 O ATOM 934 CB PHE A 506 -8.338 2.464 2.578 1.00 0.00 C ATOM 935 CG PHE A 506 -8.117 3.939 2.758 1.00 0.00 C ATOM 936 CD1 PHE A 506 -6.870 4.498 2.531 1.00 0.00 C ATOM 937 CD2 PHE A 506 -9.156 4.765 3.152 1.00 0.00 C ATOM 938 CE1 PHE A 506 -6.664 5.855 2.696 1.00 0.00 C ATOM 939 CE2 PHE A 506 -8.956 6.123 3.319 1.00 0.00 C ATOM 940 CZ PHE A 506 -7.708 6.668 3.089 1.00 0.00 C ATOM 0 H PHE A 506 -8.283 1.933 5.607 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.397 0.637 3.208 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -7.981 2.169 1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.408 2.259 2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -6.050 3.867 2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -10.134 4.344 3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -5.687 6.279 2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -9.774 6.756 3.629 1.00 0.00 H new ATOM 0 HZ PHE A 506 -7.549 7.729 3.216 1.00 0.00 H new ATOM 950 N GLY A 507 -5.218 1.743 3.613 1.00 0.00 N ATOM 951 CA GLY A 507 -3.927 2.303 3.968 1.00 0.00 C ATOM 952 C GLY A 507 -2.912 2.174 2.850 1.00 0.00 C ATOM 953 O GLY A 507 -2.853 1.149 2.170 1.00 0.00 O ATOM 0 H GLY A 507 -5.178 0.930 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.049 3.355 4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.549 1.800 4.858 1.00 0.00 H new ATOM 957 N PHE A 508 -2.111 3.217 2.656 1.00 0.00 N ATOM 958 CA PHE A 508 -1.095 3.217 1.611 1.00 0.00 C ATOM 959 C PHE A 508 0.289 2.952 2.197 1.00 0.00 C ATOM 960 O PHE A 508 0.672 3.546 3.205 1.00 0.00 O ATOM 961 CB PHE A 508 -1.099 4.553 0.866 1.00 0.00 C ATOM 962 CG PHE A 508 -2.230 4.691 -0.113 1.00 0.00 C ATOM 963 CD1 PHE A 508 -2.278 3.901 -1.251 1.00 0.00 C ATOM 964 CD2 PHE A 508 -3.244 5.609 0.104 1.00 0.00 C ATOM 965 CE1 PHE A 508 -3.318 4.025 -2.154 1.00 0.00 C ATOM 966 CE2 PHE A 508 -4.286 5.737 -0.795 1.00 0.00 C ATOM 967 CZ PHE A 508 -4.322 4.945 -1.926 1.00 0.00 C ATOM 0 H PHE A 508 -2.146 4.073 3.209 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.332 2.417 0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.156 5.364 1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.154 4.667 0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -1.495 3.181 -1.434 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -3.220 6.232 0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -3.345 3.403 -3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -5.071 6.456 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 508 -5.134 5.045 -2.631 1.00 0.00 H new ATOM 977 N VAL A 509 1.034 2.057 1.558 1.00 0.00 N ATOM 978 CA VAL A 509 2.376 1.713 2.014 1.00 0.00 C ATOM 979 C VAL A 509 3.393 1.853 0.887 1.00 0.00 C ATOM 980 O VAL A 509 3.125 1.476 -0.255 1.00 0.00 O ATOM 981 CB VAL A 509 2.430 0.276 2.565 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.836 -0.062 3.038 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.423 0.098 3.691 1.00 0.00 C ATOM 0 H VAL A 509 0.731 1.556 0.722 1.00 0.00 H new ATOM 0 HA VAL A 509 2.627 2.410 2.813 1.00 0.00 H new ATOM 0 HB VAL A 509 2.167 -0.412 1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 509 3.855 -1.081 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.531 0.023 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 509 4.131 0.630 3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.475 -0.923 4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.652 0.795 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.419 0.295 3.316 1.00 0.00 H new ATOM 993 N ASP A 510 4.560 2.396 1.214 1.00 0.00 N ATOM 994 CA ASP A 510 5.618 2.585 0.229 1.00 0.00 C ATOM 995 C ASP A 510 6.902 1.889 0.671 1.00 0.00 C ATOM 996 O ASP A 510 7.233 1.869 1.857 1.00 0.00 O ATOM 997 CB ASP A 510 5.881 4.075 0.010 1.00 0.00 C ATOM 998 CG ASP A 510 4.694 4.788 -0.608 1.00 0.00 C ATOM 999 OD1 ASP A 510 4.349 4.472 -1.766 1.00 0.00 O ATOM 1000 OD2 ASP A 510 4.109 5.660 0.068 1.00 0.00 O ATOM 0 H ASP A 510 4.797 2.713 2.154 1.00 0.00 H new ATOM 0 HA ASP A 510 5.289 2.141 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 510 6.125 4.542 0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.751 4.196 -0.636 1.00 0.00 H new ATOM 1005 N PHE A 511 7.621 1.318 -0.290 1.00 0.00 N ATOM 1006 CA PHE A 511 8.867 0.619 0.001 1.00 0.00 C ATOM 1007 C PHE A 511 10.059 1.360 -0.599 1.00 0.00 C ATOM 1008 O PHE A 511 9.913 2.118 -1.559 1.00 0.00 O ATOM 1009 CB PHE A 511 8.814 -0.810 -0.543 1.00 0.00 C ATOM 1010 CG PHE A 511 8.244 -1.801 0.431 1.00 0.00 C ATOM 1011 CD1 PHE A 511 9.061 -2.434 1.354 1.00 0.00 C ATOM 1012 CD2 PHE A 511 6.891 -2.100 0.424 1.00 0.00 C ATOM 1013 CE1 PHE A 511 8.539 -3.347 2.252 1.00 0.00 C ATOM 1014 CE2 PHE A 511 6.364 -3.011 1.319 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.189 -3.636 2.234 1.00 0.00 C ATOM 0 H PHE A 511 7.362 1.326 -1.277 1.00 0.00 H new ATOM 0 HA PHE A 511 8.991 0.584 1.083 1.00 0.00 H new ATOM 0 HB2 PHE A 511 8.215 -0.822 -1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.821 -1.123 -0.820 1.00 0.00 H new ATOM 0 HD1 PHE A 511 10.118 -2.212 1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 511 6.241 -1.615 -0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 511 9.187 -3.833 2.967 1.00 0.00 H new ATOM 0 HE2 PHE A 511 5.307 -3.234 1.303 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.779 -4.349 2.934 1.00 0.00 H new ATOM 1025 N ILE A 512 11.237 1.134 -0.028 1.00 0.00 N ATOM 1026 CA ILE A 512 12.453 1.779 -0.506 1.00 0.00 C ATOM 1027 C ILE A 512 12.852 1.251 -1.880 1.00 0.00 C ATOM 1028 O ILE A 512 13.225 2.018 -2.769 1.00 0.00 O ATOM 1029 CB ILE A 512 13.624 1.568 0.472 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.209 1.959 1.892 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.837 2.374 0.029 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.917 3.435 2.051 1.00 0.00 C ATOM 0 H ILE A 512 11.375 0.509 0.766 1.00 0.00 H new ATOM 0 HA ILE A 512 12.237 2.845 -0.577 1.00 0.00 H new ATOM 0 HB ILE A 512 13.893 0.512 0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.323 1.389 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 512 14.002 1.677 2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.656 2.214 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 512 15.144 2.053 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.581 3.433 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.629 3.640 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.808 4.011 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 512 12.103 3.719 1.384 1.00 0.00 H new ATOM 1044 N THR A 513 12.769 -0.065 -2.049 1.00 0.00 N ATOM 1045 CA THR A 513 13.119 -0.696 -3.315 1.00 0.00 C ATOM 1046 C THR A 513 11.934 -1.457 -3.897 1.00 0.00 C ATOM 1047 O THR A 513 10.889 -1.583 -3.258 1.00 0.00 O ATOM 1048 CB THR A 513 14.305 -1.665 -3.150 1.00 0.00 C ATOM 1049 OG1 THR A 513 13.947 -2.731 -2.263 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.527 -0.938 -2.609 1.00 0.00 C ATOM 0 H THR A 513 12.462 -0.714 -1.325 1.00 0.00 H new ATOM 0 HA THR A 513 13.404 0.104 -3.998 1.00 0.00 H new ATOM 0 HB THR A 513 14.550 -2.075 -4.130 1.00 0.00 H new ATOM 0 HG1 THR A 513 14.595 -3.461 -2.351 1.00 0.00 H new ATOM 0 HG21 THR A 513 16.351 -1.643 -2.501 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.815 -0.146 -3.300 1.00 0.00 H new ATOM 0 HG23 THR A 513 15.291 -0.504 -1.637 1.00 0.00 H new ATOM 1058 N LYS A 514 12.102 -1.965 -5.113 1.00 0.00 N ATOM 1059 CA LYS A 514 11.046 -2.716 -5.782 1.00 0.00 C ATOM 1060 C LYS A 514 11.068 -4.181 -5.357 1.00 0.00 C ATOM 1061 O LYS A 514 10.022 -4.822 -5.259 1.00 0.00 O ATOM 1062 CB LYS A 514 11.202 -2.612 -7.301 1.00 0.00 C ATOM 1063 CG LYS A 514 10.593 -1.352 -7.890 1.00 0.00 C ATOM 1064 CD LYS A 514 11.479 -0.141 -7.654 1.00 0.00 C ATOM 1065 CE LYS A 514 12.647 -0.106 -8.629 1.00 0.00 C ATOM 1066 NZ LYS A 514 12.250 0.456 -9.949 1.00 0.00 N ATOM 0 H LYS A 514 12.960 -1.870 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 514 10.088 -2.286 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 514 12.262 -2.645 -7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 514 10.737 -3.482 -7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 514 10.438 -1.488 -8.960 1.00 0.00 H new ATOM 0 HG3 LYS A 514 9.613 -1.179 -7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 514 10.889 0.769 -7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 514 11.857 -0.159 -6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 514 13.454 0.493 -8.207 1.00 0.00 H new ATOM 0 HE3 LYS A 514 13.036 -1.115 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 13.073 0.463 -10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 11.497 -0.130 -10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 11.902 1.428 -9.822 1.00 0.00 H new ATOM 1080 N GLN A 515 12.264 -4.702 -5.105 1.00 0.00 N ATOM 1081 CA GLN A 515 12.420 -6.091 -4.690 1.00 0.00 C ATOM 1082 C GLN A 515 11.660 -6.360 -3.395 1.00 0.00 C ATOM 1083 O GLN A 515 10.948 -7.357 -3.278 1.00 0.00 O ATOM 1084 CB GLN A 515 13.901 -6.427 -4.506 1.00 0.00 C ATOM 1085 CG GLN A 515 14.696 -6.404 -5.801 1.00 0.00 C ATOM 1086 CD GLN A 515 13.974 -7.094 -6.942 1.00 0.00 C ATOM 1087 OE1 GLN A 515 14.078 -8.309 -7.113 1.00 0.00 O ATOM 1088 NE2 GLN A 515 13.235 -6.320 -7.729 1.00 0.00 N ATOM 0 H GLN A 515 13.139 -4.183 -5.181 1.00 0.00 H new ATOM 0 HA GLN A 515 12.005 -6.727 -5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 515 14.342 -5.717 -3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 515 13.987 -7.415 -4.054 1.00 0.00 H new ATOM 0 HG2 GLN A 515 14.901 -5.370 -6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 515 15.659 -6.888 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 515 13.178 -5.317 -7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 515 12.725 -6.728 -8.512 1.00 0.00 H new ATOM 1097 N ASP A 516 11.818 -5.466 -2.426 1.00 0.00 N ATOM 1098 CA ASP A 516 11.146 -5.607 -1.139 1.00 0.00 C ATOM 1099 C ASP A 516 9.634 -5.483 -1.299 1.00 0.00 C ATOM 1100 O ASP A 516 8.875 -6.285 -0.756 1.00 0.00 O ATOM 1101 CB ASP A 516 11.655 -4.552 -0.156 1.00 0.00 C ATOM 1102 CG ASP A 516 13.158 -4.612 0.031 1.00 0.00 C ATOM 1103 OD1 ASP A 516 13.866 -4.915 -0.952 1.00 0.00 O ATOM 1104 OD2 ASP A 516 13.627 -4.356 1.160 1.00 0.00 O ATOM 0 H ASP A 516 12.405 -4.636 -2.507 1.00 0.00 H new ATOM 0 HA ASP A 516 11.372 -6.598 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 516 11.376 -3.561 -0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 516 11.166 -4.692 0.808 1.00 0.00 H new ATOM 1109 N ALA A 517 9.204 -4.472 -2.047 1.00 0.00 N ATOM 1110 CA ALA A 517 7.783 -4.244 -2.279 1.00 0.00 C ATOM 1111 C ALA A 517 7.082 -5.531 -2.701 1.00 0.00 C ATOM 1112 O ALA A 517 6.156 -5.993 -2.034 1.00 0.00 O ATOM 1113 CB ALA A 517 7.587 -3.165 -3.334 1.00 0.00 C ATOM 0 H ALA A 517 9.819 -3.798 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 517 7.337 -3.908 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.521 -3.005 -3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 517 8.045 -2.236 -2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 517 8.054 -3.480 -4.267 1.00 0.00 H new ATOM 1119 N LYS A 518 7.529 -6.106 -3.812 1.00 0.00 N ATOM 1120 CA LYS A 518 6.945 -7.341 -4.323 1.00 0.00 C ATOM 1121 C LYS A 518 6.997 -8.444 -3.270 1.00 0.00 C ATOM 1122 O LYS A 518 5.985 -9.077 -2.969 1.00 0.00 O ATOM 1123 CB LYS A 518 7.682 -7.793 -5.586 1.00 0.00 C ATOM 1124 CG LYS A 518 7.341 -6.969 -6.816 1.00 0.00 C ATOM 1125 CD LYS A 518 7.847 -7.629 -8.088 1.00 0.00 C ATOM 1126 CE LYS A 518 9.308 -7.296 -8.346 1.00 0.00 C ATOM 1127 NZ LYS A 518 10.004 -8.386 -9.084 1.00 0.00 N ATOM 0 H LYS A 518 8.294 -5.737 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 518 5.901 -7.146 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 518 8.756 -7.739 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 518 7.443 -8.838 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 518 6.261 -6.837 -6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 518 7.779 -5.975 -6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 518 7.727 -8.710 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 518 7.243 -7.301 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 518 9.374 -6.371 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 518 9.813 -7.120 -7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 10.997 -8.120 -9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 9.964 -9.263 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 9.538 -8.537 -10.001 1.00 0.00 H new ATOM 1141 N LYS A 519 8.182 -8.667 -2.712 1.00 0.00 N ATOM 1142 CA LYS A 519 8.366 -9.691 -1.691 1.00 0.00 C ATOM 1143 C LYS A 519 7.296 -9.580 -0.609 1.00 0.00 C ATOM 1144 O LYS A 519 6.595 -10.547 -0.314 1.00 0.00 O ATOM 1145 CB LYS A 519 9.756 -9.570 -1.062 1.00 0.00 C ATOM 1146 CG LYS A 519 10.825 -10.366 -1.792 1.00 0.00 C ATOM 1147 CD LYS A 519 12.217 -10.023 -1.287 1.00 0.00 C ATOM 1148 CE LYS A 519 12.483 -10.642 0.077 1.00 0.00 C ATOM 1149 NZ LYS A 519 13.832 -10.283 0.595 1.00 0.00 N ATOM 0 H LYS A 519 9.030 -8.152 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 519 8.274 -10.666 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 519 10.047 -8.520 -1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 519 9.708 -9.907 -0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.641 -11.432 -1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 519 10.765 -10.163 -2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 519 12.961 -10.377 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 519 12.326 -8.940 -1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 519 11.722 -10.307 0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 519 12.398 -11.726 0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 13.975 -10.724 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 14.560 -10.624 -0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 13.905 -9.250 0.686 1.00 0.00 H new ATOM 1163 N ALA A 520 7.176 -8.393 -0.023 1.00 0.00 N ATOM 1164 CA ALA A 520 6.189 -8.154 1.023 1.00 0.00 C ATOM 1165 C ALA A 520 4.770 -8.293 0.481 1.00 0.00 C ATOM 1166 O ALA A 520 3.885 -8.818 1.157 1.00 0.00 O ATOM 1167 CB ALA A 520 6.390 -6.775 1.634 1.00 0.00 C ATOM 0 H ALA A 520 7.750 -7.582 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 520 6.329 -8.907 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.646 -6.610 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.389 -6.711 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.280 -6.015 0.861 1.00 0.00 H new ATOM 1173 N PHE A 521 4.560 -7.817 -0.742 1.00 0.00 N ATOM 1174 CA PHE A 521 3.248 -7.887 -1.374 1.00 0.00 C ATOM 1175 C PHE A 521 2.760 -9.330 -1.459 1.00 0.00 C ATOM 1176 O PHE A 521 1.702 -9.671 -0.934 1.00 0.00 O ATOM 1177 CB PHE A 521 3.299 -7.271 -2.774 1.00 0.00 C ATOM 1178 CG PHE A 521 1.987 -7.327 -3.502 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.540 -8.513 -4.062 1.00 0.00 C ATOM 1180 CD2 PHE A 521 1.199 -6.194 -3.626 1.00 0.00 C ATOM 1181 CE1 PHE A 521 0.333 -8.567 -4.733 1.00 0.00 C ATOM 1182 CE2 PHE A 521 -0.009 -6.242 -4.296 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.443 -7.431 -4.850 1.00 0.00 C ATOM 0 H PHE A 521 5.281 -7.379 -1.315 1.00 0.00 H new ATOM 0 HA PHE A 521 2.547 -7.321 -0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.616 -6.231 -2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 521 4.055 -7.790 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 521 2.142 -9.405 -3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 521 1.533 -5.262 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 521 -0.003 -9.498 -5.166 1.00 0.00 H new ATOM 0 HE2 PHE A 521 -0.613 -5.351 -4.386 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.387 -7.472 -5.373 1.00 0.00 H new ATOM 1193 N ASN A 522 3.542 -10.174 -2.126 1.00 0.00 N ATOM 1194 CA ASN A 522 3.190 -11.581 -2.282 1.00 0.00 C ATOM 1195 C ASN A 522 3.164 -12.288 -0.930 1.00 0.00 C ATOM 1196 O ASN A 522 2.213 -12.999 -0.608 1.00 0.00 O ATOM 1197 CB ASN A 522 4.184 -12.276 -3.215 1.00 0.00 C ATOM 1198 CG ASN A 522 3.939 -13.769 -3.311 1.00 0.00 C ATOM 1199 OD1 ASN A 522 4.495 -14.552 -2.540 1.00 0.00 O ATOM 1200 ND2 ASN A 522 3.102 -14.171 -4.261 1.00 0.00 N ATOM 0 H ASN A 522 4.423 -9.908 -2.567 1.00 0.00 H new ATOM 0 HA ASN A 522 2.193 -11.635 -2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 522 4.115 -11.834 -4.209 1.00 0.00 H new ATOM 0 HB3 ASN A 522 5.198 -12.099 -2.858 1.00 0.00 H new ATOM 0 HD21 ASN A 522 2.898 -15.164 -4.374 1.00 0.00 H new ATOM 0 HD22 ASN A 522 2.664 -13.487 -4.878 1.00 0.00 H new ATOM 1207 N ALA A 523 4.216 -12.086 -0.143 1.00 0.00 N ATOM 1208 CA ALA A 523 4.313 -12.702 1.175 1.00 0.00 C ATOM 1209 C ALA A 523 3.024 -12.509 1.967 1.00 0.00 C ATOM 1210 O ALA A 523 2.405 -13.476 2.411 1.00 0.00 O ATOM 1211 CB ALA A 523 5.496 -12.128 1.940 1.00 0.00 C ATOM 0 H ALA A 523 5.013 -11.501 -0.395 1.00 0.00 H new ATOM 0 HA ALA A 523 4.468 -13.772 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 523 5.556 -12.597 2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 523 6.415 -12.323 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.365 -11.052 2.059 1.00 0.00 H new ATOM 1217 N LEU A 524 2.626 -11.254 2.142 1.00 0.00 N ATOM 1218 CA LEU A 524 1.410 -10.933 2.882 1.00 0.00 C ATOM 1219 C LEU A 524 0.169 -11.301 2.076 1.00 0.00 C ATOM 1220 O LEU A 524 -0.676 -12.071 2.535 1.00 0.00 O ATOM 1221 CB LEU A 524 1.381 -9.445 3.234 1.00 0.00 C ATOM 1222 CG LEU A 524 2.512 -8.946 4.135 1.00 0.00 C ATOM 1223 CD1 LEU A 524 2.373 -7.453 4.388 1.00 0.00 C ATOM 1224 CD2 LEU A 524 2.524 -9.712 5.449 1.00 0.00 C ATOM 0 H LEU A 524 3.127 -10.442 1.782 1.00 0.00 H new ATOM 0 HA LEU A 524 1.409 -11.517 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 524 1.403 -8.872 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.431 -9.226 3.722 1.00 0.00 H new ATOM 0 HG LEU A 524 3.460 -9.121 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 524 3.186 -7.116 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 524 2.414 -6.918 3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 524 1.419 -7.254 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 524 3.335 -9.344 6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 524 1.573 -9.569 5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 524 2.672 -10.773 5.250 1.00 0.00 H new ATOM 1236 N CYS A 525 0.066 -10.748 0.872 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.072 -11.019 0.001 1.00 0.00 C ATOM 1238 C CYS A 525 -1.562 -12.452 0.176 1.00 0.00 C ATOM 1239 O CYS A 525 -2.743 -12.689 0.432 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.692 -10.772 -1.460 1.00 0.00 C ATOM 1241 SG CYS A 525 -1.954 -11.286 -2.648 1.00 0.00 S ATOM 0 H CYS A 525 0.757 -10.110 0.477 1.00 0.00 H new ATOM 0 HA CYS A 525 -1.880 -10.342 0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -0.490 -9.710 -1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 525 0.235 -11.303 -1.678 1.00 0.00 H new ATOM 0 HG CYS A 525 -1.542 -11.035 -3.855 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.647 -13.406 0.035 1.00 0.00 N ATOM 1248 CA HIS A 526 -0.986 -14.818 0.177 1.00 0.00 C ATOM 1249 C HIS A 526 -2.010 -15.022 1.290 1.00 0.00 C ATOM 1250 O HIS A 526 -3.144 -15.426 1.036 1.00 0.00 O ATOM 1251 CB HIS A 526 0.271 -15.639 0.467 1.00 0.00 C ATOM 1252 CG HIS A 526 -0.004 -16.915 1.203 1.00 0.00 C ATOM 1253 ND1 HIS A 526 0.300 -17.291 2.467 1.00 0.00 N flip ATOM 1254 CD2 HIS A 526 -0.668 -17.982 0.636 1.00 0.00 C flip ATOM 1255 CE1 HIS A 526 -0.181 -18.565 2.640 1.00 0.00 C flip ATOM 1256 NE2 HIS A 526 -0.761 -18.959 1.520 1.00 0.00 N flip ATOM 0 H HIS A 526 0.335 -13.227 -0.177 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.424 -15.157 -0.762 1.00 0.00 H new ATOM 0 HB2 HIS A 526 0.768 -15.872 -0.475 1.00 0.00 H new ATOM 0 HB3 HIS A 526 0.964 -15.034 1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 526 -1.052 -18.014 -0.373 1.00 0.00 H new ATOM 0 HE1 HIS A 526 -0.099 -19.150 3.544 1.00 0.00 H new ATOM 0 HE2 HIS A 526 -1.205 -19.864 1.365 1.00 0.00 H new ATOM 1264 N SER A 527 -1.601 -14.739 2.522 1.00 0.00 N ATOM 1265 CA SER A 527 -2.481 -14.895 3.675 1.00 0.00 C ATOM 1266 C SER A 527 -2.086 -13.937 4.794 1.00 0.00 C ATOM 1267 O SER A 527 -1.048 -14.106 5.435 1.00 0.00 O ATOM 1268 CB SER A 527 -2.438 -16.338 4.183 1.00 0.00 C ATOM 1269 OG SER A 527 -3.016 -16.441 5.473 1.00 0.00 O ATOM 0 H SER A 527 -0.666 -14.400 2.748 1.00 0.00 H new ATOM 0 HA SER A 527 -3.497 -14.658 3.361 1.00 0.00 H new ATOM 0 HB2 SER A 527 -2.971 -16.987 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 527 -1.405 -16.685 4.215 1.00 0.00 H new ATOM 0 HG SER A 527 -2.978 -17.373 5.775 1.00 0.00 H new ATOM 1275 N THR A 528 -2.922 -12.929 5.024 1.00 0.00 N ATOM 1276 CA THR A 528 -2.661 -11.942 6.064 1.00 0.00 C ATOM 1277 C THR A 528 -3.819 -11.867 7.053 1.00 0.00 C ATOM 1278 O THR A 528 -4.951 -11.565 6.676 1.00 0.00 O ATOM 1279 CB THR A 528 -2.421 -10.544 5.465 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.839 -10.663 4.162 1.00 0.00 O ATOM 1281 CG2 THR A 528 -1.508 -9.720 6.360 1.00 0.00 C ATOM 0 H THR A 528 -3.786 -12.775 4.504 1.00 0.00 H new ATOM 0 HA THR A 528 -1.760 -12.264 6.586 1.00 0.00 H new ATOM 0 HB THR A 528 -3.382 -10.036 5.389 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.275 -11.463 4.128 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.354 -8.737 5.916 1.00 0.00 H new ATOM 0 HG22 THR A 528 -1.967 -9.606 7.342 1.00 0.00 H new ATOM 0 HG23 THR A 528 -0.548 -10.226 6.465 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.527 -12.143 8.320 1.00 0.00 N ATOM 1290 CA HIS A 529 -4.545 -12.104 9.364 1.00 0.00 C ATOM 1291 C HIS A 529 -4.214 -11.042 10.407 1.00 0.00 C ATOM 1292 O HIS A 529 -3.102 -11.001 10.936 1.00 0.00 O ATOM 1293 CB HIS A 529 -4.669 -13.473 10.035 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.440 -14.469 9.225 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -5.383 -14.526 7.849 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -6.288 -15.453 9.606 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -6.164 -15.500 7.417 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -6.724 -16.079 8.464 1.00 0.00 N ATOM 0 H HIS A 529 -2.595 -12.396 8.648 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.497 -11.847 8.899 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -3.671 -13.867 10.226 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -5.154 -13.351 11.004 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -6.569 -15.700 10.619 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -6.318 -15.776 6.384 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -7.375 -16.864 8.430 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.185 -10.183 10.699 1.00 0.00 N ATOM 1307 CA LEU A 530 -4.996 -9.119 11.678 1.00 0.00 C ATOM 1308 C LEU A 530 -6.269 -8.892 12.488 1.00 0.00 C ATOM 1309 O LEU A 530 -7.280 -8.431 11.959 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.586 -7.821 10.979 1.00 0.00 C ATOM 1311 CG LEU A 530 -4.004 -6.729 11.877 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.611 -7.113 12.350 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -3.972 -5.396 11.144 1.00 0.00 C ATOM 0 H LEU A 530 -6.111 -10.203 10.272 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.202 -9.424 12.360 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -3.851 -8.062 10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.459 -7.416 10.468 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.646 -6.624 12.752 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.213 -6.324 12.988 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -2.662 -8.044 12.914 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -1.958 -7.247 11.488 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.555 -4.631 11.799 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.353 -5.486 10.251 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -4.985 -5.115 10.856 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.211 -9.218 13.775 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.359 -9.051 14.658 1.00 0.00 C ATOM 1327 C TYR A 531 -8.521 -9.934 14.214 1.00 0.00 C ATOM 1328 O TYR A 531 -9.685 -9.551 14.326 1.00 0.00 O ATOM 1329 CB TYR A 531 -7.799 -7.586 14.685 1.00 0.00 C ATOM 1330 CG TYR A 531 -6.757 -6.652 15.257 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.448 -6.668 16.611 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -6.080 -5.752 14.442 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -5.497 -5.816 17.138 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -5.126 -4.897 14.959 1.00 0.00 C ATOM 1335 CZ TYR A 531 -4.839 -4.932 16.308 1.00 0.00 C ATOM 1336 OH TYR A 531 -3.890 -4.082 16.828 1.00 0.00 O ATOM 0 H TYR A 531 -5.381 -9.599 14.229 1.00 0.00 H new ATOM 0 HA TYR A 531 -7.060 -9.353 15.662 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.041 -7.269 13.671 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -8.713 -7.501 15.272 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -6.961 -7.359 17.264 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.304 -5.721 13.386 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -5.270 -5.842 18.194 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.608 -4.205 14.311 1.00 0.00 H new ATOM 0 HH TYR A 531 -3.462 -4.504 17.602 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.195 -11.121 13.711 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.222 -12.042 13.259 1.00 0.00 C ATOM 1348 C GLY A 532 -9.892 -11.580 11.980 1.00 0.00 C ATOM 1349 O GLY A 532 -11.066 -11.868 11.748 1.00 0.00 O ATOM 0 H GLY A 532 -7.239 -11.461 13.608 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -8.779 -13.025 13.099 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -9.974 -12.154 14.040 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.144 -10.862 11.148 1.00 0.00 N ATOM 1354 CA ARG A 533 -9.674 -10.357 9.887 1.00 0.00 C ATOM 1355 C ARG A 533 -8.598 -10.359 8.805 1.00 0.00 C ATOM 1356 O ARG A 533 -7.440 -10.035 9.068 1.00 0.00 O ATOM 1357 CB ARG A 533 -10.224 -8.941 10.071 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.247 -8.825 11.189 1.00 0.00 C ATOM 1359 CD ARG A 533 -12.211 -7.675 10.945 1.00 0.00 C ATOM 1360 NE ARG A 533 -13.520 -7.922 11.544 1.00 0.00 N ATOM 1361 CZ ARG A 533 -14.334 -8.898 11.155 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -13.974 -9.713 10.173 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -15.510 -9.059 11.748 1.00 0.00 N ATOM 0 H ARG A 533 -8.170 -10.617 11.324 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.483 -11.016 9.572 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -9.396 -8.263 10.276 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.681 -8.614 9.137 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -11.805 -9.758 11.271 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -10.734 -8.676 12.139 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -11.792 -6.757 11.356 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -12.327 -7.520 9.872 1.00 0.00 H new ATOM 0 HE ARG A 533 -13.826 -7.312 12.302 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -13.071 -9.592 9.715 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -14.600 -10.461 9.876 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -15.790 -8.433 12.503 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -16.134 -9.808 11.449 1.00 0.00 H new ATOM 1377 N ARG A 534 -8.989 -10.728 7.590 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.058 -10.774 6.469 1.00 0.00 C ATOM 1379 C ARG A 534 -7.945 -9.408 5.799 1.00 0.00 C ATOM 1380 O ARG A 534 -8.908 -8.641 5.762 1.00 0.00 O ATOM 1381 CB ARG A 534 -8.509 -11.820 5.447 1.00 0.00 C ATOM 1382 CG ARG A 534 -7.875 -13.186 5.654 1.00 0.00 C ATOM 1383 CD ARG A 534 -6.591 -13.332 4.852 1.00 0.00 C ATOM 1384 NE ARG A 534 -6.855 -13.569 3.435 1.00 0.00 N ATOM 1385 CZ ARG A 534 -7.247 -14.740 2.947 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -7.421 -15.775 3.757 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -7.467 -14.877 1.645 1.00 0.00 N ATOM 0 H ARG A 534 -9.944 -10.999 7.357 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.077 -11.052 6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -9.593 -11.921 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -8.268 -11.465 4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -7.662 -13.333 6.713 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.580 -13.964 5.359 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -5.990 -12.430 4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -6.004 -14.158 5.254 1.00 0.00 H new ATOM 0 HE ARG A 534 -6.731 -12.793 2.785 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -7.254 -15.673 4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -7.722 -16.673 3.379 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -7.335 -14.083 1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -7.768 -15.777 1.271 1.00 0.00 H new ATOM 1401 N LEU A 535 -6.764 -9.111 5.270 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.524 -7.837 4.601 1.00 0.00 C ATOM 1403 C LEU A 535 -6.328 -8.037 3.102 1.00 0.00 C ATOM 1404 O LEU A 535 -5.572 -8.910 2.675 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.297 -7.147 5.199 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.347 -6.874 6.703 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -3.947 -6.640 7.250 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.244 -5.680 6.999 1.00 0.00 C ATOM 0 H LEU A 535 -5.957 -9.735 5.291 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.399 -7.205 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.422 -7.762 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -5.151 -6.198 4.682 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.767 -7.750 7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -4.002 -6.447 8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.334 -7.524 7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.500 -5.781 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.268 -5.500 8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -5.854 -4.797 6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.253 -5.886 6.643 1.00 0.00 H new ATOM 1420 N VAL A 536 -7.013 -7.222 2.306 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.912 -7.307 0.854 1.00 0.00 C ATOM 1422 C VAL A 536 -5.783 -6.428 0.329 1.00 0.00 C ATOM 1423 O VAL A 536 -5.858 -5.200 0.389 1.00 0.00 O ATOM 1424 CB VAL A 536 -8.230 -6.891 0.174 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -8.116 -7.020 -1.337 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -9.388 -7.725 0.702 1.00 0.00 C ATOM 0 H VAL A 536 -7.644 -6.495 2.643 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.700 -8.349 0.612 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.426 -5.845 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -9.057 -6.722 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -7.314 -6.376 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.895 -8.055 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -10.311 -7.418 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -9.201 -8.779 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.483 -7.577 1.778 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.736 -7.064 -0.186 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.590 -6.340 -0.723 1.00 0.00 C ATOM 1438 C LEU A 537 -3.680 -6.225 -2.241 1.00 0.00 C ATOM 1439 O LEU A 537 -3.690 -7.231 -2.949 1.00 0.00 O ATOM 1440 CB LEU A 537 -2.289 -7.042 -0.330 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.689 -6.639 1.017 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -2.226 -7.527 2.128 1.00 0.00 C ATOM 1443 CD2 LEU A 537 -0.169 -6.706 0.966 1.00 0.00 C ATOM 0 H LEU A 537 -4.658 -8.079 -0.243 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.596 -5.335 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -2.469 -8.117 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.548 -6.852 -1.107 1.00 0.00 H new ATOM 0 HG LEU A 537 -1.981 -5.610 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -1.788 -7.225 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -3.310 -7.428 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -1.966 -8.565 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 537 0.241 -6.416 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 537 0.143 -7.724 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 537 0.200 -6.027 0.197 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.745 -4.992 -2.734 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.833 -4.747 -4.168 1.00 0.00 C ATOM 1457 C GLU A 538 -2.946 -3.574 -4.576 1.00 0.00 C ATOM 1458 O GLU A 538 -2.774 -2.619 -3.818 1.00 0.00 O ATOM 1459 CB GLU A 538 -5.283 -4.468 -4.572 1.00 0.00 C ATOM 1460 CG GLU A 538 -6.077 -5.723 -4.893 1.00 0.00 C ATOM 1461 CD GLU A 538 -5.379 -6.613 -5.903 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -4.581 -7.476 -5.482 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -5.631 -6.446 -7.115 1.00 0.00 O ATOM 0 H GLU A 538 -3.738 -4.148 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.484 -5.641 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.780 -3.931 -3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -5.289 -3.812 -5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -6.247 -6.286 -3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -7.056 -5.440 -5.279 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.384 -3.654 -5.776 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.514 -2.600 -6.285 1.00 0.00 C ATOM 1472 C TRP A 539 -2.319 -1.359 -6.653 1.00 0.00 C ATOM 1473 O TRP A 539 -2.974 -1.319 -7.694 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.735 -3.097 -7.503 1.00 0.00 C ATOM 1475 CG TRP A 539 0.144 -4.275 -7.207 1.00 0.00 C ATOM 1476 CD1 TRP A 539 -0.159 -5.592 -7.399 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.468 -4.240 -6.663 1.00 0.00 C ATOM 1478 NE1 TRP A 539 0.898 -6.379 -7.008 1.00 0.00 N ATOM 1479 CE2 TRP A 539 1.908 -5.574 -6.553 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.325 -3.213 -6.260 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.166 -5.904 -6.056 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.574 -3.542 -5.767 1.00 0.00 C ATOM 1483 CH2 TRP A 539 3.985 -4.878 -5.669 1.00 0.00 C ATOM 0 H TRP A 539 -2.515 -4.438 -6.415 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.810 -2.333 -5.497 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.439 -3.367 -8.290 1.00 0.00 H new ATOM 0 HB3 TRP A 539 -0.122 -2.283 -7.890 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -1.092 -5.961 -7.799 1.00 0.00 H new ATOM 0 HE1 TRP A 539 0.926 -7.398 -7.050 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.017 -2.180 -6.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.484 -6.933 -5.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.244 -2.756 -5.452 1.00 0.00 H new ATOM 0 HH2 TRP A 539 4.967 -5.103 -5.280 1.00 0.00 H new