USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1016 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 645 ASN : amide:sc=-0.00399 X(o=1.3,f=1.2) USER MOD Set 1.2: A 649 THR OG1 : rot 75:sc= 1.29 USER MOD Set 2.1: A 624 MET CE :methyl -177:sc= -1.72! (180deg=-1.72!) USER MOD Set 2.2: A 644 TYR OH : rot -96:sc= -0.915 USER MOD Set 3.1: A 550 CYS SG : rot 75:sc= -0.807 USER MOD Set 3.2: A 585 SER OG : rot 83:sc= 0.106 USER MOD Set 3.3: A 612 THR OG1 : rot -42:sc= 0.0203 USER MOD Set 3.4: A 613 HIS : no HD1:sc= -0.837 K(o=-1.5,f=-7.3!) USER MOD Set 4.1: A 536 MET CE :methyl -115:sc= -0.901 (180deg=-1.29) USER MOD Set 4.2: A 547 MET CE :methyl -176:sc= -0.502 (180deg=-0.23) USER MOD Set 4.3: A 606 MET CE :methyl -151:sc= -0.176 (180deg=0) USER MOD Set 5.1: A 539 HIS : no HD1:sc= -1.11 X(o=0.12,f=0.55) USER MOD Set 5.2: A 543 THR OG1 : rot -48:sc= 1.23 USER MOD Single : A 528 THR OG1 : rot -135:sc= 0.599 USER MOD Single : A 530 SER OG : rot -58:sc= 0 USER MOD Single : A 532 ASN : amide:sc= -0.721! C(o=-0.72!,f=-3.9!) USER MOD Single : A 545 LYS NZ :NH3+ 160:sc= 0.469 (180deg=-0.0269) USER MOD Single : A 551 MET CE :methyl 168:sc= -0.175 (180deg=-0.536) USER MOD Single : A 557 MET CE :methyl 180:sc= -2.95 (180deg=-2.95) USER MOD Single : A 559 THR OG1 : rot -160:sc= 0 USER MOD Single : A 561 GLN :FLIP amide:sc= -0.701 F(o=-1.3,f=-0.7) USER MOD Single : A 563 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.01) USER MOD Single : A 564 TYR OH : rot 80:sc= -0.12 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 GLN :FLIP amide:sc= -0.086 F(o=-3.4!,f=-0.086) USER MOD Single : A 576 TYR OH : rot -37:sc= 0.408 USER MOD Single : A 583 TYR OH : rot 180:sc= -0.0274 USER MOD Single : A 584 THR OG1 : rot 48:sc= 0.575 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot -150:sc= -0.0969 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 597 ASN : amide:sc= -0.617 K(o=-0.62,f=-5!) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN : amide:sc= 0.436 K(o=0.44,f=-0.55) USER MOD Single : A 605 THR OG1 : rot 179:sc= 1.5 USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 616 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.3) USER MOD Single : A 623 CYS SG : rot 130:sc= -0.35 USER MOD Single : A 626 SER OG : rot 93:sc= 0.00646 USER MOD Single : A 628 LYS NZ :NH3+ 169:sc=-0.00789 (180deg=-0.137) USER MOD Single : A 634 SER OG : rot -30:sc= 1.01 USER MOD Single : A 636 SER OG : rot 180:sc= 0 USER MOD Single : A 637 SER OG : rot 180:sc= 0 USER MOD Single : A 642 THR OG1 : rot 180:sc= 0 USER MOD Single : A 643 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 647 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N GLU A 524 -0.878 15.730 -6.251 1.00 0.00 N ATOM 215 CA GLU A 524 -0.336 14.567 -5.600 1.00 0.00 C ATOM 216 C GLU A 524 1.007 14.907 -5.009 1.00 0.00 C ATOM 217 O GLU A 524 1.690 15.839 -5.432 1.00 0.00 O ATOM 218 CB GLU A 524 -0.224 13.405 -6.595 1.00 0.00 C ATOM 219 CG GLU A 524 0.647 13.737 -7.817 1.00 0.00 C ATOM 220 CD GLU A 524 0.772 12.546 -8.740 1.00 0.00 C ATOM 221 OE1 GLU A 524 -0.159 12.297 -9.542 1.00 0.00 O ATOM 222 OE2 GLU A 524 1.744 11.778 -8.605 1.00 0.00 O ATOM 0 HA GLU A 524 -1.003 14.254 -4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 524 0.193 12.537 -6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -1.222 13.127 -6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 524 0.212 14.577 -8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 524 1.638 14.050 -7.487 1.00 0.00 H new ATOM 229 N ILE A 525 1.381 14.111 -4.024 1.00 0.00 N ATOM 230 CA ILE A 525 2.633 14.189 -3.324 1.00 0.00 C ATOM 231 C ILE A 525 3.297 12.841 -3.579 1.00 0.00 C ATOM 232 O ILE A 525 2.612 11.842 -3.835 1.00 0.00 O ATOM 233 CB ILE A 525 2.398 14.426 -1.815 1.00 0.00 C ATOM 234 CG1 ILE A 525 1.176 15.334 -1.576 1.00 0.00 C ATOM 235 CG2 ILE A 525 3.630 15.014 -1.114 1.00 0.00 C ATOM 236 CD1 ILE A 525 -0.068 14.485 -1.332 1.00 0.00 C ATOM 0 H ILE A 525 0.785 13.358 -3.680 1.00 0.00 H new ATOM 0 HA ILE A 525 3.254 15.018 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 525 2.204 13.446 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 525 1.357 15.983 -0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 525 1.020 15.982 -2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 525 3.411 15.161 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 525 4.470 14.328 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 525 3.885 15.972 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -0.926 15.136 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -0.255 13.855 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 525 0.087 13.856 -0.455 1.00 0.00 H new ATOM 248 N LEU A 526 4.614 12.818 -3.457 1.00 0.00 N ATOM 249 CA LEU A 526 5.464 11.648 -3.633 1.00 0.00 C ATOM 250 C LEU A 526 6.504 11.605 -2.524 1.00 0.00 C ATOM 251 O LEU A 526 6.661 12.559 -1.760 1.00 0.00 O ATOM 252 CB LEU A 526 6.134 11.630 -5.023 1.00 0.00 C ATOM 253 CG LEU A 526 5.807 10.407 -5.900 1.00 0.00 C ATOM 254 CD1 LEU A 526 6.266 9.094 -5.259 1.00 0.00 C ATOM 255 CD2 LEU A 526 4.328 10.324 -6.280 1.00 0.00 C ATOM 0 H LEU A 526 5.147 13.655 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 526 4.840 10.757 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 526 5.839 12.531 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 526 7.214 11.680 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 526 6.373 10.553 -6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 526 6.013 8.261 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 526 7.345 9.121 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 526 5.767 8.964 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 526 4.160 9.442 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 526 3.723 10.254 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 526 4.045 11.217 -6.838 1.00 0.00 H new ATOM 267 N GLY A 527 7.262 10.522 -2.499 1.00 0.00 N ATOM 268 CA GLY A 527 8.303 10.261 -1.520 1.00 0.00 C ATOM 269 C GLY A 527 7.769 9.610 -0.248 1.00 0.00 C ATOM 270 O GLY A 527 6.577 9.305 -0.133 1.00 0.00 O ATOM 0 H GLY A 527 7.166 9.773 -3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 527 9.059 9.613 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 527 8.797 11.198 -1.263 1.00 0.00 H new ATOM 274 N THR A 528 8.671 9.360 0.700 1.00 0.00 N ATOM 275 CA THR A 528 8.338 8.827 2.004 1.00 0.00 C ATOM 276 C THR A 528 7.743 9.946 2.866 1.00 0.00 C ATOM 277 O THR A 528 8.114 11.117 2.739 1.00 0.00 O ATOM 278 CB THR A 528 9.579 8.175 2.641 1.00 0.00 C ATOM 279 OG1 THR A 528 10.188 7.262 1.743 1.00 0.00 O ATOM 280 CG2 THR A 528 9.218 7.372 3.901 1.00 0.00 C ATOM 0 H THR A 528 9.669 9.528 0.573 1.00 0.00 H new ATOM 0 HA THR A 528 7.586 8.043 1.917 1.00 0.00 H new ATOM 0 HB THR A 528 10.253 8.994 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 528 10.413 6.435 2.219 1.00 0.00 H new ATOM 0 HG21 THR A 528 10.121 6.928 4.320 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.764 8.035 4.637 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.513 6.583 3.640 1.00 0.00 H new ATOM 288 N VAL A 529 6.825 9.559 3.744 1.00 0.00 N ATOM 289 CA VAL A 529 6.019 10.359 4.652 1.00 0.00 C ATOM 290 C VAL A 529 5.691 9.495 5.887 1.00 0.00 C ATOM 291 O VAL A 529 5.955 8.288 5.894 1.00 0.00 O ATOM 292 CB VAL A 529 4.738 10.824 3.917 1.00 0.00 C ATOM 293 CG1 VAL A 529 5.023 11.930 2.889 1.00 0.00 C ATOM 294 CG2 VAL A 529 4.001 9.679 3.199 1.00 0.00 C ATOM 0 H VAL A 529 6.605 8.568 3.846 1.00 0.00 H new ATOM 0 HA VAL A 529 6.553 11.250 4.981 1.00 0.00 H new ATOM 0 HB VAL A 529 4.098 11.213 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 529 4.093 12.221 2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 529 5.454 12.794 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.725 11.560 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 529 3.113 10.072 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.661 9.230 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.706 8.923 3.927 1.00 0.00 H new ATOM 304 N SER A 530 5.077 10.082 6.919 1.00 0.00 N ATOM 305 CA SER A 530 4.516 9.354 8.052 1.00 0.00 C ATOM 306 C SER A 530 3.022 9.619 7.994 1.00 0.00 C ATOM 307 O SER A 530 2.487 10.515 8.652 1.00 0.00 O ATOM 308 CB SER A 530 5.155 9.790 9.374 1.00 0.00 C ATOM 309 OG SER A 530 4.813 8.906 10.420 1.00 0.00 O ATOM 0 H SER A 530 4.956 11.092 6.988 1.00 0.00 H new ATOM 0 HA SER A 530 4.719 8.284 7.998 1.00 0.00 H new ATOM 0 HB2 SER A 530 6.239 9.825 9.263 1.00 0.00 H new ATOM 0 HB3 SER A 530 4.827 10.799 9.625 1.00 0.00 H new ATOM 0 HG SER A 530 3.838 8.869 10.511 1.00 0.00 H new ATOM 315 N TRP A 531 2.353 8.889 7.115 1.00 0.00 N ATOM 316 CA TRP A 531 0.923 8.802 7.064 1.00 0.00 C ATOM 317 C TRP A 531 0.597 7.559 7.891 1.00 0.00 C ATOM 318 O TRP A 531 1.239 7.250 8.901 1.00 0.00 O ATOM 319 CB TRP A 531 0.478 8.785 5.587 1.00 0.00 C ATOM 320 CG TRP A 531 0.728 10.038 4.796 1.00 0.00 C ATOM 321 CD1 TRP A 531 1.250 11.196 5.269 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.495 10.268 3.371 1.00 0.00 C ATOM 323 NE1 TRP A 531 1.391 12.100 4.239 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.975 11.571 3.041 1.00 0.00 C ATOM 325 CE3 TRP A 531 -0.026 9.497 2.307 1.00 0.00 C ATOM 326 CZ2 TRP A 531 1.011 12.057 1.727 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.029 9.989 0.986 1.00 0.00 C ATOM 328 CH2 TRP A 531 0.531 11.248 0.685 1.00 0.00 C ATOM 0 H TRP A 531 2.816 8.328 6.400 1.00 0.00 H new ATOM 0 HA TRP A 531 0.375 9.646 7.484 1.00 0.00 H new ATOM 0 HB2 TRP A 531 0.985 7.960 5.088 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -0.590 8.569 5.555 1.00 0.00 H new ATOM 0 HD1 TRP A 531 1.516 11.382 6.299 1.00 0.00 H new ATOM 0 HE1 TRP A 531 1.759 13.045 4.352 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.428 8.515 2.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 1.403 13.042 1.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.465 9.396 0.196 1.00 0.00 H new ATOM 0 HH2 TRP A 531 0.590 11.587 -0.339 1.00 0.00 H new ATOM 339 N ASN A 532 -0.487 6.904 7.538 1.00 0.00 N ATOM 340 CA ASN A 532 -1.197 5.925 8.328 1.00 0.00 C ATOM 341 C ASN A 532 -2.285 5.415 7.403 1.00 0.00 C ATOM 342 O ASN A 532 -2.608 6.076 6.412 1.00 0.00 O ATOM 343 CB ASN A 532 -1.824 6.587 9.569 1.00 0.00 C ATOM 344 CG ASN A 532 -2.477 7.910 9.208 1.00 0.00 C ATOM 345 OD1 ASN A 532 -3.588 7.929 8.678 1.00 0.00 O ATOM 346 ND2 ASN A 532 -1.750 9.003 9.382 1.00 0.00 N ATOM 0 H ASN A 532 -0.925 7.052 6.629 1.00 0.00 H new ATOM 0 HA ASN A 532 -0.545 5.130 8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -2.566 5.919 10.007 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -1.056 6.751 10.325 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -2.106 9.907 9.072 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -0.834 8.941 9.826 1.00 0.00 H new ATOM 353 N LEU A 533 -2.868 4.256 7.708 1.00 0.00 N ATOM 354 CA LEU A 533 -3.807 3.615 6.783 1.00 0.00 C ATOM 355 C LEU A 533 -4.912 4.569 6.337 1.00 0.00 C ATOM 356 O LEU A 533 -5.342 4.479 5.198 1.00 0.00 O ATOM 357 CB LEU A 533 -4.491 2.414 7.452 1.00 0.00 C ATOM 358 CG LEU A 533 -3.706 1.100 7.301 1.00 0.00 C ATOM 359 CD1 LEU A 533 -3.529 0.461 8.673 1.00 0.00 C ATOM 360 CD2 LEU A 533 -4.401 0.179 6.294 1.00 0.00 C ATOM 0 H LEU A 533 -2.711 3.746 8.577 1.00 0.00 H new ATOM 0 HA LEU A 533 -3.218 3.303 5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -4.627 2.627 8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -5.485 2.286 7.023 1.00 0.00 H new ATOM 0 HG LEU A 533 -2.711 1.295 6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -2.973 -0.471 8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -2.980 1.142 9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -4.507 0.254 9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -3.835 -0.747 6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -5.409 -0.047 6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -4.455 0.675 5.325 1.00 0.00 H new ATOM 372 N ARG A 534 -5.391 5.439 7.228 1.00 0.00 N ATOM 373 CA ARG A 534 -6.448 6.404 6.913 1.00 0.00 C ATOM 374 C ARG A 534 -6.019 7.424 5.867 1.00 0.00 C ATOM 375 O ARG A 534 -6.667 7.535 4.833 1.00 0.00 O ATOM 376 CB ARG A 534 -6.948 7.147 8.153 1.00 0.00 C ATOM 377 CG ARG A 534 -7.528 6.238 9.232 1.00 0.00 C ATOM 378 CD ARG A 534 -6.490 5.807 10.280 1.00 0.00 C ATOM 379 NE ARG A 534 -7.108 5.733 11.611 1.00 0.00 N ATOM 380 CZ ARG A 534 -7.619 6.785 12.264 1.00 0.00 C ATOM 381 NH1 ARG A 534 -7.243 8.022 11.958 1.00 0.00 N ATOM 382 NH2 ARG A 534 -8.558 6.598 13.176 1.00 0.00 N ATOM 0 H ARG A 534 -5.057 5.495 8.190 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.262 5.805 6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -6.123 7.718 8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -7.710 7.866 7.850 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.347 6.755 9.732 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -7.951 5.350 8.762 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -6.073 4.836 10.011 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -5.662 6.516 10.295 1.00 0.00 H new ATOM 0 HE ARG A 534 -7.151 4.822 12.067 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -6.558 8.179 11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -7.639 8.815 12.462 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -8.890 5.655 13.380 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -8.950 7.396 13.676 1.00 0.00 H new ATOM 396 N GLU A 535 -4.957 8.187 6.130 1.00 0.00 N ATOM 397 CA GLU A 535 -4.431 9.179 5.195 1.00 0.00 C ATOM 398 C GLU A 535 -4.081 8.509 3.858 1.00 0.00 C ATOM 399 O GLU A 535 -4.281 9.076 2.787 1.00 0.00 O ATOM 400 CB GLU A 535 -3.199 9.858 5.819 1.00 0.00 C ATOM 401 CG GLU A 535 -3.549 10.913 6.886 1.00 0.00 C ATOM 402 CD GLU A 535 -3.002 12.296 6.534 1.00 0.00 C ATOM 403 OE1 GLU A 535 -1.823 12.595 6.838 1.00 0.00 O ATOM 404 OE2 GLU A 535 -3.727 13.067 5.867 1.00 0.00 O ATOM 0 H GLU A 535 -4.435 8.132 7.005 1.00 0.00 H new ATOM 0 HA GLU A 535 -5.186 9.940 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.564 9.095 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -2.617 10.332 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -4.632 10.970 6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -3.147 10.600 7.849 1.00 0.00 H new ATOM 411 N MET A 536 -3.592 7.272 3.918 1.00 0.00 N ATOM 412 CA MET A 536 -3.207 6.462 2.780 1.00 0.00 C ATOM 413 C MET A 536 -4.422 6.081 1.933 1.00 0.00 C ATOM 414 O MET A 536 -4.430 6.433 0.756 1.00 0.00 O ATOM 415 CB MET A 536 -2.452 5.244 3.301 1.00 0.00 C ATOM 416 CG MET A 536 -1.112 5.665 3.919 1.00 0.00 C ATOM 417 SD MET A 536 0.206 5.935 2.731 1.00 0.00 S ATOM 418 CE MET A 536 0.443 4.211 2.332 1.00 0.00 C ATOM 0 H MET A 536 -3.449 6.791 4.806 1.00 0.00 H new ATOM 0 HA MET A 536 -2.553 7.028 2.117 1.00 0.00 H new ATOM 0 HB2 MET A 536 -3.056 4.726 4.046 1.00 0.00 H new ATOM 0 HB3 MET A 536 -2.278 4.541 2.486 1.00 0.00 H new ATOM 0 HG2 MET A 536 -1.262 6.581 4.490 1.00 0.00 H new ATOM 0 HG3 MET A 536 -0.795 4.897 4.625 1.00 0.00 H new ATOM 0 HE1 MET A 536 1.436 3.896 2.654 1.00 0.00 H new ATOM 0 HE2 MET A 536 -0.311 3.612 2.843 1.00 0.00 H new ATOM 0 HE3 MET A 536 0.349 4.071 1.255 1.00 0.00 H new ATOM 428 N LEU A 537 -5.441 5.414 2.497 1.00 0.00 N ATOM 429 CA LEU A 537 -6.751 5.202 1.923 1.00 0.00 C ATOM 430 C LEU A 537 -7.311 6.464 1.286 1.00 0.00 C ATOM 431 O LEU A 537 -7.754 6.398 0.143 1.00 0.00 O ATOM 432 CB LEU A 537 -7.687 4.761 3.055 1.00 0.00 C ATOM 433 CG LEU A 537 -7.914 3.256 3.111 1.00 0.00 C ATOM 434 CD1 LEU A 537 -6.770 2.274 3.330 1.00 0.00 C ATOM 435 CD2 LEU A 537 -8.934 2.997 4.217 1.00 0.00 C ATOM 0 H LEU A 537 -5.353 4.989 3.420 1.00 0.00 H new ATOM 0 HA LEU A 537 -6.672 4.448 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -7.273 5.093 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -8.648 5.260 2.935 1.00 0.00 H new ATOM 0 HG LEU A 537 -8.201 3.041 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.160 1.256 3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -6.041 2.380 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -6.289 2.483 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -9.126 1.927 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -8.542 3.362 5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -9.863 3.517 3.984 1.00 0.00 H new ATOM 447 N ALA A 538 -7.326 7.585 2.013 1.00 0.00 N ATOM 448 CA ALA A 538 -7.853 8.844 1.506 1.00 0.00 C ATOM 449 C ALA A 538 -7.101 9.229 0.237 1.00 0.00 C ATOM 450 O ALA A 538 -7.719 9.484 -0.790 1.00 0.00 O ATOM 451 CB ALA A 538 -7.758 9.930 2.583 1.00 0.00 C ATOM 0 H ALA A 538 -6.972 7.640 2.968 1.00 0.00 H new ATOM 0 HA ALA A 538 -8.908 8.733 1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -8.155 10.866 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -8.336 9.628 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -6.715 10.069 2.868 1.00 0.00 H new ATOM 457 N HIS A 539 -5.770 9.214 0.277 1.00 0.00 N ATOM 458 CA HIS A 539 -4.955 9.595 -0.863 1.00 0.00 C ATOM 459 C HIS A 539 -5.133 8.646 -2.052 1.00 0.00 C ATOM 460 O HIS A 539 -5.267 9.099 -3.190 1.00 0.00 O ATOM 461 CB HIS A 539 -3.498 9.722 -0.406 1.00 0.00 C ATOM 462 CG HIS A 539 -2.704 10.478 -1.425 1.00 0.00 C ATOM 463 ND1 HIS A 539 -2.808 11.836 -1.645 1.00 0.00 N ATOM 464 CD2 HIS A 539 -1.922 9.927 -2.400 1.00 0.00 C ATOM 465 CE1 HIS A 539 -2.115 12.109 -2.761 1.00 0.00 C ATOM 466 NE2 HIS A 539 -1.544 10.974 -3.227 1.00 0.00 N ATOM 0 H HIS A 539 -5.233 8.938 1.099 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.287 10.564 -1.235 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.453 10.235 0.555 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.067 8.732 -0.259 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -1.653 8.886 -2.505 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -2.027 13.084 -3.217 1.00 0.00 H new ATOM 0 HE2 HIS A 539 -0.940 10.901 -4.045 1.00 0.00 H new ATOM 475 N ALA A 540 -5.097 7.336 -1.819 1.00 0.00 N ATOM 476 CA ALA A 540 -5.334 6.287 -2.807 1.00 0.00 C ATOM 477 C ALA A 540 -6.705 6.428 -3.472 1.00 0.00 C ATOM 478 O ALA A 540 -6.840 6.182 -4.666 1.00 0.00 O ATOM 479 CB ALA A 540 -5.269 4.930 -2.109 1.00 0.00 C ATOM 0 H ALA A 540 -4.892 6.960 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.570 6.373 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.445 4.138 -2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -4.285 4.799 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -6.032 4.884 -1.331 1.00 0.00 H new ATOM 485 N GLU A 541 -7.733 6.812 -2.716 1.00 0.00 N ATOM 486 CA GLU A 541 -9.036 7.182 -3.247 1.00 0.00 C ATOM 487 C GLU A 541 -8.862 8.406 -4.140 1.00 0.00 C ATOM 488 O GLU A 541 -9.092 8.331 -5.344 1.00 0.00 O ATOM 489 CB GLU A 541 -10.010 7.454 -2.085 1.00 0.00 C ATOM 490 CG GLU A 541 -10.948 6.274 -1.811 1.00 0.00 C ATOM 491 CD GLU A 541 -12.325 6.569 -2.390 1.00 0.00 C ATOM 492 OE1 GLU A 541 -13.142 7.199 -1.682 1.00 0.00 O ATOM 493 OE2 GLU A 541 -12.552 6.230 -3.573 1.00 0.00 O ATOM 0 H GLU A 541 -7.678 6.874 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.457 6.373 -3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -9.440 7.677 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -10.604 8.339 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -10.543 5.364 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -11.024 6.099 -0.738 1.00 0.00 H new ATOM 500 N GLU A 542 -8.393 9.511 -3.559 1.00 0.00 N ATOM 501 CA GLU A 542 -8.408 10.835 -4.180 1.00 0.00 C ATOM 502 C GLU A 542 -7.665 10.847 -5.518 1.00 0.00 C ATOM 503 O GLU A 542 -8.025 11.601 -6.424 1.00 0.00 O ATOM 504 CB GLU A 542 -7.765 11.866 -3.241 1.00 0.00 C ATOM 505 CG GLU A 542 -8.378 13.260 -3.438 1.00 0.00 C ATOM 506 CD GLU A 542 -9.741 13.410 -2.748 1.00 0.00 C ATOM 507 OE1 GLU A 542 -9.818 13.042 -1.548 1.00 0.00 O ATOM 508 OE2 GLU A 542 -10.693 13.929 -3.379 1.00 0.00 O ATOM 0 H GLU A 542 -7.984 9.510 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 542 -9.451 11.093 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -7.898 11.551 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -6.692 11.909 -3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -7.693 14.012 -3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -8.492 13.455 -4.504 1.00 0.00 H new ATOM 515 N THR A 543 -6.626 10.019 -5.639 1.00 0.00 N ATOM 516 CA THR A 543 -5.706 10.002 -6.767 1.00 0.00 C ATOM 517 C THR A 543 -5.803 8.713 -7.593 1.00 0.00 C ATOM 518 O THR A 543 -5.070 8.583 -8.574 1.00 0.00 O ATOM 519 CB THR A 543 -4.274 10.274 -6.261 1.00 0.00 C ATOM 520 OG1 THR A 543 -3.800 9.270 -5.379 1.00 0.00 O ATOM 521 CG2 THR A 543 -4.153 11.613 -5.527 1.00 0.00 C ATOM 0 H THR A 543 -6.398 9.322 -4.930 1.00 0.00 H new ATOM 0 HA THR A 543 -5.990 10.798 -7.456 1.00 0.00 H new ATOM 0 HB THR A 543 -3.670 10.286 -7.168 1.00 0.00 H new ATOM 0 HG1 THR A 543 -4.481 9.084 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 543 -3.125 11.753 -5.193 1.00 0.00 H new ATOM 0 HG22 THR A 543 -4.429 12.424 -6.201 1.00 0.00 H new ATOM 0 HG23 THR A 543 -4.819 11.616 -4.664 1.00 0.00 H new ATOM 529 N ARG A 544 -6.659 7.750 -7.211 1.00 0.00 N ATOM 530 CA ARG A 544 -6.722 6.373 -7.743 1.00 0.00 C ATOM 531 C ARG A 544 -5.415 5.566 -7.641 1.00 0.00 C ATOM 532 O ARG A 544 -5.396 4.421 -8.098 1.00 0.00 O ATOM 533 CB ARG A 544 -7.299 6.356 -9.178 1.00 0.00 C ATOM 534 CG ARG A 544 -8.824 6.272 -9.247 1.00 0.00 C ATOM 535 CD ARG A 544 -9.546 7.427 -8.553 1.00 0.00 C ATOM 536 NE ARG A 544 -10.925 7.501 -9.044 1.00 0.00 N ATOM 537 CZ ARG A 544 -11.493 8.499 -9.721 1.00 0.00 C ATOM 538 NH1 ARG A 544 -10.890 9.671 -9.876 1.00 0.00 N ATOM 539 NH2 ARG A 544 -12.670 8.287 -10.289 1.00 0.00 N ATOM 0 H ARG A 544 -7.360 7.916 -6.489 1.00 0.00 H new ATOM 0 HA ARG A 544 -7.409 5.848 -7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -6.973 7.257 -9.698 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -6.876 5.508 -9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -9.128 6.244 -10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -9.146 5.333 -8.796 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -9.540 7.279 -7.473 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -9.027 8.365 -8.749 1.00 0.00 H new ATOM 0 HE ARG A 544 -11.519 6.696 -8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -9.967 9.827 -9.472 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -11.350 10.416 -10.399 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -13.121 7.376 -10.203 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -13.126 9.034 -10.813 1.00 0.00 H new ATOM 553 N LYS A 545 -4.335 6.117 -7.071 1.00 0.00 N ATOM 554 CA LYS A 545 -3.023 5.472 -7.027 1.00 0.00 C ATOM 555 C LYS A 545 -3.140 4.124 -6.322 1.00 0.00 C ATOM 556 O LYS A 545 -3.702 4.048 -5.230 1.00 0.00 O ATOM 557 CB LYS A 545 -1.982 6.387 -6.364 1.00 0.00 C ATOM 558 CG LYS A 545 -1.606 7.546 -7.302 1.00 0.00 C ATOM 559 CD LYS A 545 -0.516 8.456 -6.730 1.00 0.00 C ATOM 560 CE LYS A 545 -0.363 9.749 -7.546 1.00 0.00 C ATOM 561 NZ LYS A 545 -0.042 9.557 -8.980 1.00 0.00 N ATOM 0 H LYS A 545 -4.352 7.033 -6.623 1.00 0.00 H new ATOM 0 HA LYS A 545 -2.674 5.292 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -2.380 6.783 -5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.091 5.811 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -1.267 7.139 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -2.496 8.141 -7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -0.757 8.705 -5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 545 0.433 7.921 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -1.289 10.319 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 545 0.422 10.355 -7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 -0.287 10.418 -9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 0.974 9.363 -9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 -0.588 8.755 -9.354 1.00 0.00 H new ATOM 575 N LEU A 546 -2.619 3.082 -6.971 1.00 0.00 N ATOM 576 CA LEU A 546 -2.782 1.688 -6.583 1.00 0.00 C ATOM 577 C LEU A 546 -2.188 1.487 -5.189 1.00 0.00 C ATOM 578 O LEU A 546 -1.108 2.006 -4.881 1.00 0.00 O ATOM 579 CB LEU A 546 -2.061 0.810 -7.629 1.00 0.00 C ATOM 580 CG LEU A 546 -2.186 -0.714 -7.435 1.00 0.00 C ATOM 581 CD1 LEU A 546 -3.622 -1.200 -7.653 1.00 0.00 C ATOM 582 CD2 LEU A 546 -1.273 -1.439 -8.431 1.00 0.00 C ATOM 0 H LEU A 546 -2.052 3.194 -7.811 1.00 0.00 H new ATOM 0 HA LEU A 546 -3.835 1.408 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.449 1.063 -8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -1.003 1.071 -7.625 1.00 0.00 H new ATOM 0 HG LEU A 546 -1.894 -0.936 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -3.667 -2.279 -7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -4.284 -0.709 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -3.938 -0.958 -8.668 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -1.364 -2.516 -8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -1.566 -1.180 -9.448 1.00 0.00 H new ATOM 0 HD23 LEU A 546 -0.239 -1.137 -8.263 1.00 0.00 H new ATOM 594 N MET A 547 -2.845 0.669 -4.369 1.00 0.00 N ATOM 595 CA MET A 547 -2.445 0.418 -2.992 1.00 0.00 C ATOM 596 C MET A 547 -2.127 -1.075 -2.805 1.00 0.00 C ATOM 597 O MET A 547 -2.996 -1.846 -2.400 1.00 0.00 O ATOM 598 CB MET A 547 -3.542 0.975 -2.069 1.00 0.00 C ATOM 599 CG MET A 547 -3.133 0.942 -0.595 1.00 0.00 C ATOM 600 SD MET A 547 -4.170 2.001 0.454 1.00 0.00 S ATOM 601 CE MET A 547 -3.265 1.887 2.013 1.00 0.00 C ATOM 0 H MET A 547 -3.681 0.156 -4.649 1.00 0.00 H new ATOM 0 HA MET A 547 -1.522 0.933 -2.727 1.00 0.00 H new ATOM 0 HB2 MET A 547 -3.770 2.001 -2.358 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.455 0.396 -2.203 1.00 0.00 H new ATOM 0 HG2 MET A 547 -3.187 -0.084 -0.232 1.00 0.00 H new ATOM 0 HG3 MET A 547 -2.094 1.257 -0.505 1.00 0.00 H new ATOM 0 HE1 MET A 547 -3.808 2.426 2.789 1.00 0.00 H new ATOM 0 HE2 MET A 547 -3.165 0.840 2.300 1.00 0.00 H new ATOM 0 HE3 MET A 547 -2.275 2.326 1.892 1.00 0.00 H new ATOM 611 N PRO A 548 -0.910 -1.548 -3.130 1.00 0.00 N ATOM 612 CA PRO A 548 -0.563 -2.952 -2.963 1.00 0.00 C ATOM 613 C PRO A 548 -0.422 -3.324 -1.477 1.00 0.00 C ATOM 614 O PRO A 548 0.312 -2.663 -0.735 1.00 0.00 O ATOM 615 CB PRO A 548 0.703 -3.175 -3.791 1.00 0.00 C ATOM 616 CG PRO A 548 1.277 -1.792 -4.077 1.00 0.00 C ATOM 617 CD PRO A 548 0.164 -0.800 -3.756 1.00 0.00 C ATOM 0 HA PRO A 548 -1.349 -3.617 -3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.421 -3.789 -3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 548 0.474 -3.700 -4.718 1.00 0.00 H new ATOM 0 HG2 PRO A 548 2.158 -1.601 -3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 548 1.588 -1.706 -5.118 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.527 -0.017 -3.090 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -0.187 -0.309 -4.664 1.00 0.00 H new ATOM 625 N ILE A 549 -1.095 -4.392 -1.046 1.00 0.00 N ATOM 626 CA ILE A 549 -1.202 -4.873 0.333 1.00 0.00 C ATOM 627 C ILE A 549 -0.909 -6.369 0.305 1.00 0.00 C ATOM 628 O ILE A 549 -1.371 -7.052 -0.604 1.00 0.00 O ATOM 629 CB ILE A 549 -2.633 -4.635 0.866 1.00 0.00 C ATOM 630 CG1 ILE A 549 -3.053 -3.154 0.876 1.00 0.00 C ATOM 631 CG2 ILE A 549 -2.849 -5.279 2.246 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.352 -2.213 1.858 1.00 0.00 C ATOM 0 H ILE A 549 -1.615 -4.984 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.504 -4.346 0.983 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.289 -5.133 0.151 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.904 -2.758 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -4.123 -3.112 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.868 -5.087 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.687 -6.355 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -2.145 -4.853 2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -2.754 -1.206 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.520 -2.560 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.282 -2.201 1.650 1.00 0.00 H new ATOM 644 N CYS A 550 -0.213 -6.893 1.311 1.00 0.00 N ATOM 645 CA CYS A 550 0.054 -8.319 1.416 1.00 0.00 C ATOM 646 C CYS A 550 -0.979 -8.976 2.334 1.00 0.00 C ATOM 647 O CYS A 550 -1.304 -8.410 3.375 1.00 0.00 O ATOM 648 CB CYS A 550 1.472 -8.511 1.952 1.00 0.00 C ATOM 649 SG CYS A 550 2.024 -10.145 1.442 1.00 0.00 S ATOM 0 H CYS A 550 0.179 -6.340 2.073 1.00 0.00 H new ATOM 0 HA CYS A 550 -0.023 -8.793 0.437 1.00 0.00 H new ATOM 0 HB2 CYS A 550 2.138 -7.742 1.561 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.487 -8.423 3.038 1.00 0.00 H new ATOM 0 HG CYS A 550 2.324 -10.127 0.177 1.00 0.00 H new ATOM 655 N MET A 551 -1.448 -10.177 1.983 1.00 0.00 N ATOM 656 CA MET A 551 -2.564 -10.816 2.682 1.00 0.00 C ATOM 657 C MET A 551 -2.131 -11.637 3.899 1.00 0.00 C ATOM 658 O MET A 551 -2.974 -12.267 4.540 1.00 0.00 O ATOM 659 CB MET A 551 -3.398 -11.661 1.703 1.00 0.00 C ATOM 660 CG MET A 551 -2.625 -12.836 1.088 1.00 0.00 C ATOM 661 SD MET A 551 -3.580 -13.859 -0.069 1.00 0.00 S ATOM 662 CE MET A 551 -3.977 -12.622 -1.334 1.00 0.00 C ATOM 0 H MET A 551 -1.068 -10.728 1.214 1.00 0.00 H new ATOM 0 HA MET A 551 -3.187 -10.013 3.076 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.273 -12.047 2.225 1.00 0.00 H new ATOM 0 HB3 MET A 551 -3.762 -11.018 0.902 1.00 0.00 H new ATOM 0 HG2 MET A 551 -1.751 -12.444 0.567 1.00 0.00 H new ATOM 0 HG3 MET A 551 -2.258 -13.471 1.894 1.00 0.00 H new ATOM 0 HE1 MET A 551 -4.375 -13.120 -2.218 1.00 0.00 H new ATOM 0 HE2 MET A 551 -4.721 -11.928 -0.943 1.00 0.00 H new ATOM 0 HE3 MET A 551 -3.074 -12.073 -1.602 1.00 0.00 H new ATOM 672 N ASP A 552 -0.830 -11.714 4.182 1.00 0.00 N ATOM 673 CA ASP A 552 -0.295 -12.494 5.305 1.00 0.00 C ATOM 674 C ASP A 552 -0.222 -11.653 6.573 1.00 0.00 C ATOM 675 O ASP A 552 -0.474 -12.157 7.667 1.00 0.00 O ATOM 676 CB ASP A 552 1.061 -13.059 4.897 1.00 0.00 C ATOM 677 CG ASP A 552 1.607 -14.178 5.783 1.00 0.00 C ATOM 678 OD1 ASP A 552 1.694 -14.026 7.019 1.00 0.00 O ATOM 679 OD2 ASP A 552 1.976 -15.228 5.201 1.00 0.00 O ATOM 0 H ASP A 552 -0.112 -11.236 3.638 1.00 0.00 H new ATOM 0 HA ASP A 552 -0.962 -13.324 5.538 1.00 0.00 H new ATOM 0 HB2 ASP A 552 0.986 -13.433 3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.785 -12.244 4.885 1.00 0.00 H new ATOM 684 N VAL A 553 -0.010 -10.342 6.426 1.00 0.00 N ATOM 685 CA VAL A 553 -0.246 -9.373 7.483 1.00 0.00 C ATOM 686 C VAL A 553 -1.760 -9.230 7.684 1.00 0.00 C ATOM 687 O VAL A 553 -2.396 -8.255 7.269 1.00 0.00 O ATOM 688 CB VAL A 553 0.549 -8.080 7.246 1.00 0.00 C ATOM 689 CG1 VAL A 553 0.350 -7.484 5.857 1.00 0.00 C ATOM 690 CG2 VAL A 553 0.449 -7.084 8.397 1.00 0.00 C ATOM 0 H VAL A 553 0.333 -9.927 5.560 1.00 0.00 H new ATOM 0 HA VAL A 553 0.146 -9.715 8.441 1.00 0.00 H new ATOM 0 HB VAL A 553 1.598 -8.377 7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 553 0.942 -6.574 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 553 0.669 -8.204 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 553 -0.704 -7.248 5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 553 1.034 -6.195 8.161 1.00 0.00 H new ATOM 0 HG22 VAL A 553 -0.594 -6.803 8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 553 0.835 -7.541 9.308 1.00 0.00 H new ATOM 700 N ARG A 554 -2.352 -10.213 8.363 1.00 0.00 N ATOM 701 CA ARG A 554 -3.744 -10.199 8.798 1.00 0.00 C ATOM 702 C ARG A 554 -4.046 -8.914 9.577 1.00 0.00 C ATOM 703 O ARG A 554 -5.177 -8.427 9.503 1.00 0.00 O ATOM 704 CB ARG A 554 -4.032 -11.465 9.631 1.00 0.00 C ATOM 705 CG ARG A 554 -3.999 -12.790 8.834 1.00 0.00 C ATOM 706 CD ARG A 554 -5.192 -12.913 7.880 1.00 0.00 C ATOM 707 NE ARG A 554 -5.334 -14.264 7.301 1.00 0.00 N ATOM 708 CZ ARG A 554 -6.427 -14.748 6.694 1.00 0.00 C ATOM 709 NH1 ARG A 554 -7.517 -13.997 6.568 1.00 0.00 N ATOM 710 NH2 ARG A 554 -6.444 -15.979 6.204 1.00 0.00 N ATOM 0 H ARG A 554 -1.860 -11.065 8.632 1.00 0.00 H new ATOM 0 HA ARG A 554 -4.404 -10.208 7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -3.302 -11.525 10.438 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -5.013 -11.361 10.095 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -3.071 -12.848 8.265 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -4.001 -13.631 9.527 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -6.106 -12.656 8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -5.081 -12.188 7.073 1.00 0.00 H new ATOM 0 HE ARG A 554 -4.528 -14.885 7.369 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -7.526 -13.045 6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -8.344 -14.373 6.105 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -5.618 -16.572 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -7.283 -16.334 5.745 1.00 0.00 H new ATOM 724 N ALA A 555 -3.053 -8.322 10.251 1.00 0.00 N ATOM 725 CA ALA A 555 -3.177 -7.024 10.898 1.00 0.00 C ATOM 726 C ALA A 555 -3.482 -5.884 9.927 1.00 0.00 C ATOM 727 O ALA A 555 -4.298 -5.024 10.253 1.00 0.00 O ATOM 728 CB ALA A 555 -1.890 -6.683 11.644 1.00 0.00 C ATOM 0 H ALA A 555 -2.130 -8.743 10.360 1.00 0.00 H new ATOM 0 HA ALA A 555 -4.021 -7.114 11.582 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -1.995 -5.710 12.124 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -1.696 -7.442 12.402 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -1.058 -6.653 10.940 1.00 0.00 H new ATOM 734 N ILE A 556 -2.809 -5.796 8.775 1.00 0.00 N ATOM 735 CA ILE A 556 -3.077 -4.725 7.811 1.00 0.00 C ATOM 736 C ILE A 556 -4.405 -5.025 7.107 1.00 0.00 C ATOM 737 O ILE A 556 -5.199 -4.108 6.874 1.00 0.00 O ATOM 738 CB ILE A 556 -1.850 -4.524 6.882 1.00 0.00 C ATOM 739 CG1 ILE A 556 -0.775 -3.734 7.669 1.00 0.00 C ATOM 740 CG2 ILE A 556 -2.211 -3.777 5.584 1.00 0.00 C ATOM 741 CD1 ILE A 556 0.552 -3.524 6.925 1.00 0.00 C ATOM 0 H ILE A 556 -2.080 -6.449 8.489 1.00 0.00 H new ATOM 0 HA ILE A 556 -3.207 -3.758 8.297 1.00 0.00 H new ATOM 0 HB ILE A 556 -1.476 -5.503 6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -1.184 -2.759 7.934 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.571 -4.258 8.603 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -1.318 -3.662 4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -2.960 -4.346 5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -2.611 -2.793 5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 556 1.239 -2.961 7.558 1.00 0.00 H new ATOM 0 HD12 ILE A 556 0.991 -4.492 6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 556 0.369 -2.969 6.005 1.00 0.00 H new ATOM 753 N MET A 557 -4.688 -6.305 6.840 1.00 0.00 N ATOM 754 CA MET A 557 -5.943 -6.719 6.224 1.00 0.00 C ATOM 755 C MET A 557 -7.139 -6.297 7.079 1.00 0.00 C ATOM 756 O MET A 557 -8.175 -5.921 6.525 1.00 0.00 O ATOM 757 CB MET A 557 -5.966 -8.239 6.015 1.00 0.00 C ATOM 758 CG MET A 557 -4.950 -8.757 4.989 1.00 0.00 C ATOM 759 SD MET A 557 -5.693 -9.195 3.399 1.00 0.00 S ATOM 760 CE MET A 557 -6.512 -7.642 2.997 1.00 0.00 C ATOM 0 H MET A 557 -4.053 -7.076 7.046 1.00 0.00 H new ATOM 0 HA MET A 557 -6.016 -6.225 5.255 1.00 0.00 H new ATOM 0 HB2 MET A 557 -5.778 -8.727 6.971 1.00 0.00 H new ATOM 0 HB3 MET A 557 -6.966 -8.534 5.698 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.187 -7.995 4.828 1.00 0.00 H new ATOM 0 HG3 MET A 557 -4.445 -9.632 5.399 1.00 0.00 H new ATOM 0 HE1 MET A 557 -7.023 -7.738 2.039 1.00 0.00 H new ATOM 0 HE2 MET A 557 -7.238 -7.402 3.774 1.00 0.00 H new ATOM 0 HE3 MET A 557 -5.771 -6.845 2.935 1.00 0.00 H new ATOM 770 N ALA A 558 -6.988 -6.317 8.409 1.00 0.00 N ATOM 771 CA ALA A 558 -8.025 -5.969 9.367 1.00 0.00 C ATOM 772 C ALA A 558 -8.589 -4.576 9.107 1.00 0.00 C ATOM 773 O ALA A 558 -9.807 -4.404 9.134 1.00 0.00 O ATOM 774 CB ALA A 558 -7.464 -6.030 10.793 1.00 0.00 C ATOM 0 H ALA A 558 -6.110 -6.585 8.854 1.00 0.00 H new ATOM 0 HA ALA A 558 -8.833 -6.692 9.252 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -8.248 -5.768 11.504 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -7.108 -7.039 11.001 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -6.637 -5.327 10.889 1.00 0.00 H new ATOM 780 N THR A 559 -7.732 -3.573 8.883 1.00 0.00 N ATOM 781 CA THR A 559 -8.209 -2.205 8.716 1.00 0.00 C ATOM 782 C THR A 559 -8.978 -2.092 7.403 1.00 0.00 C ATOM 783 O THR A 559 -10.021 -1.439 7.363 1.00 0.00 O ATOM 784 CB THR A 559 -7.062 -1.185 8.859 1.00 0.00 C ATOM 785 OG1 THR A 559 -6.572 -1.272 10.179 1.00 0.00 O ATOM 786 CG2 THR A 559 -7.559 0.257 8.700 1.00 0.00 C ATOM 0 H THR A 559 -6.720 -3.685 8.815 1.00 0.00 H new ATOM 0 HA THR A 559 -8.905 -1.957 9.517 1.00 0.00 H new ATOM 0 HB THR A 559 -6.317 -1.409 8.095 1.00 0.00 H new ATOM 0 HG1 THR A 559 -6.082 -0.453 10.401 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.720 0.945 8.808 1.00 0.00 H new ATOM 0 HG22 THR A 559 -8.006 0.381 7.714 1.00 0.00 H new ATOM 0 HG23 THR A 559 -8.305 0.471 9.466 1.00 0.00 H new ATOM 794 N ILE A 560 -8.495 -2.742 6.344 1.00 0.00 N ATOM 795 CA ILE A 560 -9.115 -2.700 5.032 1.00 0.00 C ATOM 796 C ILE A 560 -10.479 -3.383 5.089 1.00 0.00 C ATOM 797 O ILE A 560 -11.481 -2.708 4.865 1.00 0.00 O ATOM 798 CB ILE A 560 -8.169 -3.314 3.988 1.00 0.00 C ATOM 799 CG1 ILE A 560 -6.884 -2.466 3.897 1.00 0.00 C ATOM 800 CG2 ILE A 560 -8.855 -3.367 2.608 1.00 0.00 C ATOM 801 CD1 ILE A 560 -5.730 -3.279 3.325 1.00 0.00 C ATOM 0 H ILE A 560 -7.653 -3.317 6.380 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.290 -1.669 4.724 1.00 0.00 H new ATOM 0 HB ILE A 560 -7.917 -4.330 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.064 -1.593 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -6.617 -2.097 4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.173 -3.804 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -9.756 -3.977 2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -9.122 -2.357 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -4.837 -2.656 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -5.536 -4.138 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -5.990 -3.626 2.325 1.00 0.00 H new ATOM 813 N GLN A 561 -10.556 -4.684 5.403 1.00 0.00 N ATOM 814 CA GLN A 561 -11.845 -5.369 5.367 1.00 0.00 C ATOM 815 C GLN A 561 -12.815 -4.780 6.412 1.00 0.00 C ATOM 816 O GLN A 561 -14.025 -4.867 6.217 1.00 0.00 O ATOM 817 CB GLN A 561 -11.739 -6.888 5.571 1.00 0.00 C ATOM 818 CG GLN A 561 -10.967 -7.755 4.548 1.00 0.00 C ATOM 819 CD GLN A 561 -11.461 -9.192 4.738 1.00 0.00 C ATOM 820 OE1 GLN A 561 -12.274 -9.702 3.829 1.00 0.00 O flip ATOM 821 NE2 GLN A 561 -11.185 -9.841 5.740 1.00 0.00 N flip ATOM 0 H GLN A 561 -9.763 -5.265 5.677 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.234 -5.203 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -11.281 -7.053 6.546 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -12.755 -7.279 5.626 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -11.153 -7.412 3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -9.892 -7.689 4.716 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -10.558 -9.451 6.444 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -11.582 -10.771 5.870 1.00 0.00 H new ATOM 830 N ARG A 562 -12.342 -4.152 7.504 1.00 0.00 N ATOM 831 CA ARG A 562 -13.222 -3.409 8.399 1.00 0.00 C ATOM 832 C ARG A 562 -13.765 -2.187 7.690 1.00 0.00 C ATOM 833 O ARG A 562 -14.947 -1.902 7.842 1.00 0.00 O ATOM 834 CB ARG A 562 -12.504 -3.013 9.705 1.00 0.00 C ATOM 835 CG ARG A 562 -13.398 -2.257 10.707 1.00 0.00 C ATOM 836 CD ARG A 562 -13.437 -0.733 10.489 1.00 0.00 C ATOM 837 NE ARG A 562 -12.426 -0.036 11.298 1.00 0.00 N ATOM 838 CZ ARG A 562 -12.549 1.178 11.849 1.00 0.00 C ATOM 839 NH1 ARG A 562 -13.568 1.977 11.538 1.00 0.00 N ATOM 840 NH2 ARG A 562 -11.635 1.594 12.710 1.00 0.00 N ATOM 0 H ARG A 562 -11.360 -4.149 7.779 1.00 0.00 H new ATOM 0 HA ARG A 562 -14.053 -4.058 8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -12.120 -3.914 10.184 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -11.643 -2.391 9.460 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -14.413 -2.649 10.640 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -13.044 -2.460 11.718 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -13.272 -0.513 9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -14.428 -0.356 10.742 1.00 0.00 H new ATOM 0 HE ARG A 562 -11.545 -0.525 11.455 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -14.273 1.668 10.869 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -13.644 2.898 11.969 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -10.847 0.992 12.948 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -11.718 2.517 13.136 1.00 0.00 H new ATOM 854 N LYS A 563 -12.914 -1.391 7.038 1.00 0.00 N ATOM 855 CA LYS A 563 -13.362 -0.141 6.451 1.00 0.00 C ATOM 856 C LYS A 563 -14.405 -0.432 5.390 1.00 0.00 C ATOM 857 O LYS A 563 -15.498 0.124 5.440 1.00 0.00 O ATOM 858 CB LYS A 563 -12.195 0.643 5.849 1.00 0.00 C ATOM 859 CG LYS A 563 -12.578 2.125 5.722 1.00 0.00 C ATOM 860 CD LYS A 563 -12.106 2.916 6.942 1.00 0.00 C ATOM 861 CE LYS A 563 -10.607 3.119 6.759 1.00 0.00 C ATOM 862 NZ LYS A 563 -9.932 3.599 7.975 1.00 0.00 N ATOM 0 H LYS A 563 -11.923 -1.593 6.908 1.00 0.00 H new ATOM 0 HA LYS A 563 -13.799 0.475 7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -11.311 0.538 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -11.939 0.238 4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -12.135 2.543 4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -13.659 2.218 5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -12.624 3.873 7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -12.316 2.373 7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -10.155 2.177 6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -10.440 3.833 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -8.911 3.684 7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -10.316 4.528 8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -10.091 2.924 8.750 1.00 0.00 H new ATOM 876 N TYR A 564 -14.059 -1.329 4.475 1.00 0.00 N ATOM 877 CA TYR A 564 -14.819 -1.605 3.281 1.00 0.00 C ATOM 878 C TYR A 564 -15.581 -2.916 3.476 1.00 0.00 C ATOM 879 O TYR A 564 -15.380 -3.876 2.737 1.00 0.00 O ATOM 880 CB TYR A 564 -13.868 -1.643 2.078 1.00 0.00 C ATOM 881 CG TYR A 564 -12.996 -0.416 1.843 1.00 0.00 C ATOM 882 CD1 TYR A 564 -13.470 0.635 1.038 1.00 0.00 C ATOM 883 CD2 TYR A 564 -11.698 -0.341 2.389 1.00 0.00 C ATOM 884 CE1 TYR A 564 -12.686 1.782 0.832 1.00 0.00 C ATOM 885 CE2 TYR A 564 -10.907 0.811 2.221 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.428 1.894 1.470 1.00 0.00 C ATOM 887 OH TYR A 564 -10.739 3.059 1.407 1.00 0.00 O ATOM 0 H TYR A 564 -13.215 -1.897 4.554 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.553 -0.823 3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.213 -2.507 2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.464 -1.811 1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -14.443 0.560 0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -11.305 -1.180 2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -13.041 2.574 0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -9.920 0.869 2.657 1.00 0.00 H new ATOM 0 HH TYR A 564 -11.102 3.690 2.064 1.00 0.00 H new ATOM 897 N LYS A 565 -16.395 -3.018 4.531 1.00 0.00 N ATOM 898 CA LYS A 565 -17.097 -4.248 4.869 1.00 0.00 C ATOM 899 C LYS A 565 -17.961 -4.733 3.702 1.00 0.00 C ATOM 900 O LYS A 565 -18.365 -3.951 2.832 1.00 0.00 O ATOM 901 CB LYS A 565 -17.815 -4.066 6.199 1.00 0.00 C ATOM 902 CG LYS A 565 -19.173 -3.411 6.008 1.00 0.00 C ATOM 903 CD LYS A 565 -19.817 -3.004 7.344 1.00 0.00 C ATOM 904 CE LYS A 565 -20.436 -4.212 8.039 1.00 0.00 C ATOM 905 NZ LYS A 565 -21.885 -4.292 7.779 1.00 0.00 N ATOM 0 H LYS A 565 -16.582 -2.247 5.172 1.00 0.00 H new ATOM 0 HA LYS A 565 -16.395 -5.068 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -17.941 -5.035 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -17.204 -3.455 6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -19.063 -2.529 5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -19.835 -4.099 5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -19.066 -2.552 7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -20.583 -2.248 7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -19.950 -5.124 7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -20.260 -4.147 9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -22.279 -5.123 8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -22.349 -3.432 8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -22.050 -4.378 6.756 1.00 0.00 H new ATOM 919 N GLY A 566 -18.242 -6.034 3.693 1.00 0.00 N ATOM 920 CA GLY A 566 -18.868 -6.688 2.555 1.00 0.00 C ATOM 921 C GLY A 566 -17.836 -7.231 1.559 1.00 0.00 C ATOM 922 O GLY A 566 -18.227 -7.884 0.594 1.00 0.00 O ATOM 0 H GLY A 566 -18.042 -6.660 4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -19.495 -7.507 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.524 -5.981 2.047 1.00 0.00 H new ATOM 926 N ILE A 567 -16.536 -7.018 1.791 1.00 0.00 N ATOM 927 CA ILE A 567 -15.432 -7.632 1.051 1.00 0.00 C ATOM 928 C ILE A 567 -15.044 -8.977 1.706 1.00 0.00 C ATOM 929 O ILE A 567 -15.123 -9.103 2.934 1.00 0.00 O ATOM 930 CB ILE A 567 -14.270 -6.610 1.011 1.00 0.00 C ATOM 931 CG1 ILE A 567 -13.158 -7.067 0.049 1.00 0.00 C ATOM 932 CG2 ILE A 567 -13.687 -6.303 2.398 1.00 0.00 C ATOM 933 CD1 ILE A 567 -11.822 -6.329 0.189 1.00 0.00 C ATOM 0 H ILE A 567 -16.214 -6.390 2.527 1.00 0.00 H new ATOM 0 HA ILE A 567 -15.713 -7.870 0.025 1.00 0.00 H new ATOM 0 HB ILE A 567 -14.701 -5.681 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -12.983 -8.132 0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -13.514 -6.947 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -12.877 -5.580 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.467 -5.889 3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -13.303 -7.221 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.109 -6.727 -0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -11.972 -5.266 0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -11.433 -6.469 1.198 1.00 0.00 H new ATOM 945 N LYS A 568 -14.522 -9.944 0.940 1.00 0.00 N ATOM 946 CA LYS A 568 -13.995 -11.242 1.385 1.00 0.00 C ATOM 947 C LYS A 568 -12.710 -11.545 0.602 1.00 0.00 C ATOM 948 O LYS A 568 -12.774 -11.576 -0.617 1.00 0.00 O ATOM 949 CB LYS A 568 -15.062 -12.302 1.103 1.00 0.00 C ATOM 950 CG LYS A 568 -14.694 -13.725 1.547 1.00 0.00 C ATOM 951 CD LYS A 568 -15.127 -14.700 0.453 1.00 0.00 C ATOM 952 CE LYS A 568 -14.956 -16.160 0.851 1.00 0.00 C ATOM 953 NZ LYS A 568 -15.321 -17.035 -0.280 1.00 0.00 N ATOM 0 H LYS A 568 -14.452 -9.834 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 568 -13.762 -11.234 2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -15.985 -12.009 1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -15.268 -12.313 0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -13.621 -13.802 1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -15.187 -13.968 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -16.173 -14.517 0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -14.547 -14.505 -0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -13.924 -16.347 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -15.582 -16.386 1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -15.202 -18.030 -0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -16.313 -16.866 -0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -14.706 -16.827 -1.092 1.00 0.00 H new ATOM 967 N ILE A 569 -11.561 -11.694 1.277 1.00 0.00 N ATOM 968 CA ILE A 569 -10.215 -11.784 0.684 1.00 0.00 C ATOM 969 C ILE A 569 -10.141 -12.659 -0.578 1.00 0.00 C ATOM 970 O ILE A 569 -10.629 -13.792 -0.623 1.00 0.00 O ATOM 971 CB ILE A 569 -9.146 -12.210 1.722 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.172 -11.344 2.996 1.00 0.00 C ATOM 973 CG2 ILE A 569 -7.717 -12.159 1.136 1.00 0.00 C ATOM 974 CD1 ILE A 569 -9.025 -9.842 2.725 1.00 0.00 C ATOM 0 H ILE A 569 -11.541 -11.758 2.295 1.00 0.00 H new ATOM 0 HA ILE A 569 -9.988 -10.769 0.358 1.00 0.00 H new ATOM 0 HB ILE A 569 -9.403 -13.236 1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -10.109 -11.519 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.368 -11.665 3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.000 -12.465 1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -7.650 -12.833 0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.492 -11.142 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -9.052 -9.298 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -8.075 -9.654 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -9.843 -9.505 2.088 1.00 0.00 H new ATOM 986 N GLN A 570 -9.419 -12.101 -1.553 1.00 0.00 N ATOM 987 CA GLN A 570 -9.236 -12.468 -2.948 1.00 0.00 C ATOM 988 C GLN A 570 -7.756 -12.213 -3.300 1.00 0.00 C ATOM 989 O GLN A 570 -6.963 -11.934 -2.395 1.00 0.00 O ATOM 990 CB GLN A 570 -10.200 -11.606 -3.786 1.00 0.00 C ATOM 991 CG GLN A 570 -10.193 -10.107 -3.405 1.00 0.00 C ATOM 992 CD GLN A 570 -11.397 -9.695 -2.558 1.00 0.00 C ATOM 993 OE1 GLN A 570 -11.263 -9.184 -1.328 1.00 0.00 O flip ATOM 994 NE2 GLN A 570 -12.526 -9.824 -3.019 1.00 0.00 N flip ATOM 0 H GLN A 570 -8.876 -11.263 -1.344 1.00 0.00 H new ATOM 0 HA GLN A 570 -9.459 -13.516 -3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -9.937 -11.704 -4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -11.212 -11.995 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -9.278 -9.882 -2.857 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -10.175 -9.508 -4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -12.654 -10.211 -3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -13.337 -9.544 -2.467 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.358 -12.310 -4.568 1.00 0.00 N ATOM 1004 CA GLU A 571 -6.001 -12.027 -5.042 1.00 0.00 C ATOM 1005 C GLU A 571 -6.053 -11.209 -6.339 1.00 0.00 C ATOM 1006 O GLU A 571 -7.074 -11.196 -7.043 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.279 -13.359 -5.269 1.00 0.00 C ATOM 1008 CG GLU A 571 -3.750 -13.283 -5.245 1.00 0.00 C ATOM 1009 CD GLU A 571 -3.155 -14.628 -5.647 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -3.407 -15.629 -4.943 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -2.416 -14.684 -6.654 1.00 0.00 O ATOM 0 H GLU A 571 -7.989 -12.596 -5.317 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.459 -11.440 -4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -5.604 -14.065 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -5.592 -13.764 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.406 -12.505 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -3.407 -13.008 -4.248 1.00 0.00 H new ATOM 1018 N GLY A 572 -4.939 -10.568 -6.685 1.00 0.00 N ATOM 1019 CA GLY A 572 -4.812 -9.680 -7.824 1.00 0.00 C ATOM 1020 C GLY A 572 -5.159 -8.259 -7.451 1.00 0.00 C ATOM 1021 O GLY A 572 -5.183 -7.883 -6.282 1.00 0.00 O ATOM 0 H GLY A 572 -4.072 -10.660 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -3.792 -9.719 -8.207 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -5.467 -10.018 -8.627 1.00 0.00 H new ATOM 1025 N ILE A 573 -5.377 -7.440 -8.470 1.00 0.00 N ATOM 1026 CA ILE A 573 -5.935 -6.111 -8.305 1.00 0.00 C ATOM 1027 C ILE A 573 -7.334 -6.311 -7.720 1.00 0.00 C ATOM 1028 O ILE A 573 -8.155 -7.010 -8.316 1.00 0.00 O ATOM 1029 CB ILE A 573 -5.876 -5.384 -9.656 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.397 -5.052 -9.964 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -6.730 -4.102 -9.643 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -4.116 -4.581 -11.387 1.00 0.00 C ATOM 0 H ILE A 573 -5.170 -7.683 -9.439 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.383 -5.468 -7.619 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.285 -6.030 -10.433 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -4.064 -4.280 -9.271 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -3.794 -5.939 -9.767 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -6.666 -3.612 -10.615 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -7.769 -4.359 -9.434 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -6.361 -3.427 -8.871 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.051 -4.375 -11.499 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.411 -5.358 -12.092 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -4.684 -3.673 -11.589 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.563 -5.727 -6.546 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.815 -5.772 -5.812 1.00 0.00 C ATOM 1046 C VAL A 574 -9.335 -4.347 -5.791 1.00 0.00 C ATOM 1047 O VAL A 574 -8.982 -3.538 -4.933 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.641 -6.366 -4.395 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -9.989 -6.481 -3.663 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -7.976 -7.741 -4.427 1.00 0.00 C ATOM 0 H VAL A 574 -6.845 -5.186 -6.063 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.532 -6.437 -6.294 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.993 -5.675 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -9.829 -6.902 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -10.438 -5.492 -3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.656 -7.130 -4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -7.874 -8.120 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -8.589 -8.428 -5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -6.990 -7.658 -4.884 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.163 -4.028 -6.773 1.00 0.00 N ATOM 1061 CA ASP A 575 -11.020 -2.864 -6.702 1.00 0.00 C ATOM 1062 C ASP A 575 -12.127 -3.177 -5.701 1.00 0.00 C ATOM 1063 O ASP A 575 -13.068 -3.903 -6.032 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.560 -2.556 -8.091 1.00 0.00 C ATOM 1065 CG ASP A 575 -12.417 -1.291 -8.126 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -12.431 -0.488 -7.164 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -12.999 -1.022 -9.203 1.00 0.00 O ATOM 0 H ASP A 575 -10.257 -4.567 -7.634 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.483 -1.977 -6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -10.726 -2.443 -8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -12.153 -3.401 -8.441 1.00 0.00 H new ATOM 1072 N TYR A 576 -11.974 -2.712 -4.460 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.051 -2.689 -3.483 1.00 0.00 C ATOM 1074 C TYR A 576 -12.919 -1.367 -2.724 1.00 0.00 C ATOM 1075 O TYR A 576 -12.239 -1.276 -1.697 1.00 0.00 O ATOM 1076 CB TYR A 576 -13.083 -3.958 -2.598 1.00 0.00 C ATOM 1077 CG TYR A 576 -14.440 -4.183 -1.953 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -14.866 -3.295 -0.956 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -15.273 -5.258 -2.326 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.107 -3.465 -0.323 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.528 -5.432 -1.703 1.00 0.00 C ATOM 1082 CZ TYR A 576 -16.948 -4.529 -0.698 1.00 0.00 C ATOM 1083 OH TYR A 576 -18.162 -4.648 -0.095 1.00 0.00 O ATOM 0 H TYR A 576 -11.092 -2.340 -4.108 1.00 0.00 H new ATOM 0 HA TYR A 576 -14.029 -2.723 -3.963 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -12.824 -4.826 -3.204 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.324 -3.874 -1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -14.231 -2.469 -0.671 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -14.950 -5.950 -3.090 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -16.416 -2.779 0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -17.167 -6.253 -1.993 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.085 -4.392 0.848 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.553 -0.314 -3.248 1.00 0.00 N ATOM 1094 CA GLY A 577 -13.436 1.031 -2.705 1.00 0.00 C ATOM 1095 C GLY A 577 -12.155 1.661 -3.226 1.00 0.00 C ATOM 1096 O GLY A 577 -12.159 2.342 -4.254 1.00 0.00 O ATOM 0 H GLY A 577 -14.163 -0.377 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -14.297 1.632 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -13.424 0.998 -1.616 1.00 0.00 H new ATOM 1100 N VAL A 578 -11.043 1.414 -2.541 1.00 0.00 N ATOM 1101 CA VAL A 578 -9.718 1.721 -3.067 1.00 0.00 C ATOM 1102 C VAL A 578 -9.342 0.606 -4.048 1.00 0.00 C ATOM 1103 O VAL A 578 -9.743 -0.550 -3.881 1.00 0.00 O ATOM 1104 CB VAL A 578 -8.732 1.900 -1.891 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -7.247 1.765 -2.259 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -8.946 3.284 -1.266 1.00 0.00 C ATOM 0 H VAL A 578 -11.035 0.997 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 578 -9.689 2.661 -3.617 1.00 0.00 H new ATOM 0 HB VAL A 578 -8.952 1.086 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -6.637 1.907 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -7.063 0.773 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -6.986 2.520 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -8.254 3.419 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -8.766 4.054 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -9.970 3.364 -0.902 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.561 0.939 -5.081 1.00 0.00 N ATOM 1117 CA ARG A 579 -7.920 -0.067 -5.918 1.00 0.00 C ATOM 1118 C ARG A 579 -6.711 -0.587 -5.149 1.00 0.00 C ATOM 1119 O ARG A 579 -5.658 0.061 -5.112 1.00 0.00 O ATOM 1120 CB ARG A 579 -7.585 0.505 -7.309 1.00 0.00 C ATOM 1121 CG ARG A 579 -7.796 -0.536 -8.429 1.00 0.00 C ATOM 1122 CD ARG A 579 -8.171 0.088 -9.787 1.00 0.00 C ATOM 1123 NE ARG A 579 -9.624 0.326 -9.934 1.00 0.00 N ATOM 1124 CZ ARG A 579 -10.325 1.418 -9.600 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -9.721 2.535 -9.206 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -11.650 1.389 -9.621 1.00 0.00 N ATOM 0 H ARG A 579 -8.360 1.901 -5.354 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.585 -0.906 -6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -8.210 1.377 -7.502 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -6.550 0.846 -7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -6.884 -1.121 -8.547 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -8.582 -1.228 -8.127 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -7.640 1.033 -9.905 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -7.834 -0.570 -10.588 1.00 0.00 H new ATOM 0 HE ARG A 579 -10.161 -0.439 -10.342 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -8.703 2.573 -9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -10.276 3.354 -8.957 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -12.137 0.535 -9.892 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -12.182 2.221 -9.366 1.00 0.00 H new ATOM 1140 N PHE A 580 -6.876 -1.719 -4.478 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.780 -2.432 -3.851 1.00 0.00 C ATOM 1142 C PHE A 580 -5.132 -3.385 -4.860 1.00 0.00 C ATOM 1143 O PHE A 580 -5.671 -3.632 -5.939 1.00 0.00 O ATOM 1144 CB PHE A 580 -6.300 -3.202 -2.631 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.824 -2.330 -1.507 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -5.916 -1.717 -0.628 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -8.206 -2.132 -1.326 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -6.366 -0.927 0.440 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -8.665 -1.330 -0.268 1.00 0.00 C ATOM 1150 CZ PHE A 580 -7.747 -0.721 0.610 1.00 0.00 C ATOM 0 H PHE A 580 -7.783 -2.169 -4.355 1.00 0.00 H new ATOM 0 HA PHE A 580 -5.024 -1.720 -3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -7.097 -3.872 -2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.496 -3.827 -2.243 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -4.855 -1.856 -0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -8.912 -2.596 -1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -5.660 -0.482 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -9.725 -1.180 -0.127 1.00 0.00 H new ATOM 0 HZ PHE A 580 -8.104 -0.095 1.415 1.00 0.00 H new ATOM 1160 N PHE A 581 -4.005 -3.989 -4.481 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.417 -5.141 -5.158 1.00 0.00 C ATOM 1162 C PHE A 581 -2.985 -6.142 -4.090 1.00 0.00 C ATOM 1163 O PHE A 581 -2.127 -5.813 -3.272 1.00 0.00 O ATOM 1164 CB PHE A 581 -2.252 -4.713 -6.065 1.00 0.00 C ATOM 1165 CG PHE A 581 -1.475 -5.886 -6.629 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -2.093 -6.716 -7.574 1.00 0.00 C ATOM 1167 CD2 PHE A 581 -0.172 -6.190 -6.194 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -1.452 -7.869 -8.046 1.00 0.00 C ATOM 1169 CE2 PHE A 581 0.476 -7.346 -6.661 1.00 0.00 C ATOM 1170 CZ PHE A 581 -0.190 -8.214 -7.544 1.00 0.00 C ATOM 0 H PHE A 581 -3.463 -3.681 -3.673 1.00 0.00 H new ATOM 0 HA PHE A 581 -4.148 -5.613 -5.815 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.641 -4.114 -6.888 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.574 -4.075 -5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -3.076 -6.464 -7.943 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.331 -5.533 -5.500 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -1.928 -8.488 -8.792 1.00 0.00 H new ATOM 0 HE2 PHE A 581 1.484 -7.567 -6.342 1.00 0.00 H new ATOM 0 HZ PHE A 581 0.271 -9.146 -7.835 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.623 -7.309 -4.043 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.362 -8.405 -3.121 1.00 0.00 C ATOM 1182 C PHE A 582 -2.582 -9.505 -3.830 1.00 0.00 C ATOM 1183 O PHE A 582 -2.817 -9.786 -5.001 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.693 -8.972 -2.604 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.554 -8.074 -1.730 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -5.144 -6.781 -1.343 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.795 -8.564 -1.283 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -5.972 -5.988 -0.531 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.646 -7.751 -0.520 1.00 0.00 C ATOM 1190 CZ PHE A 582 -7.227 -6.467 -0.133 1.00 0.00 C ATOM 0 H PHE A 582 -4.382 -7.525 -4.689 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.774 -8.033 -2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -5.288 -9.270 -3.467 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.474 -9.879 -2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -4.189 -6.399 -1.672 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -7.094 -9.572 -1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.641 -5.010 -0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.622 -8.112 -0.230 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.873 -5.848 0.472 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.675 -10.155 -3.107 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.742 -11.131 -3.659 1.00 0.00 C ATOM 1202 C TYR A 583 -0.216 -12.033 -2.545 1.00 0.00 C ATOM 1203 O TYR A 583 -0.358 -11.753 -1.349 1.00 0.00 O ATOM 1204 CB TYR A 583 0.424 -10.404 -4.354 1.00 0.00 C ATOM 1205 CG TYR A 583 1.056 -9.347 -3.474 1.00 0.00 C ATOM 1206 CD1 TYR A 583 2.076 -9.688 -2.568 1.00 0.00 C ATOM 1207 CD2 TYR A 583 0.513 -8.050 -3.465 1.00 0.00 C ATOM 1208 CE1 TYR A 583 2.530 -8.738 -1.639 1.00 0.00 C ATOM 1209 CE2 TYR A 583 0.971 -7.092 -2.555 1.00 0.00 C ATOM 1210 CZ TYR A 583 1.961 -7.445 -1.618 1.00 0.00 C ATOM 1211 OH TYR A 583 2.336 -6.549 -0.672 1.00 0.00 O ATOM 0 H TYR A 583 -1.566 -10.015 -2.102 1.00 0.00 H new ATOM 0 HA TYR A 583 -1.259 -11.747 -4.394 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.182 -11.133 -4.642 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.063 -9.940 -5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 583 2.509 -10.677 -2.587 1.00 0.00 H new ATOM 0 HD2 TYR A 583 -0.265 -7.791 -4.168 1.00 0.00 H new ATOM 0 HE1 TYR A 583 3.313 -8.995 -0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 583 0.569 -6.090 -2.571 1.00 0.00 H new ATOM 0 HH TYR A 583 1.848 -5.710 -0.804 1.00 0.00 H new ATOM 1221 N THR A 584 0.408 -13.119 -2.974 1.00 0.00 N ATOM 1222 CA THR A 584 0.960 -14.205 -2.191 1.00 0.00 C ATOM 1223 C THR A 584 2.205 -13.760 -1.413 1.00 0.00 C ATOM 1224 O THR A 584 3.269 -13.568 -1.998 1.00 0.00 O ATOM 1225 CB THR A 584 1.218 -15.372 -3.174 1.00 0.00 C ATOM 1226 OG1 THR A 584 1.582 -14.931 -4.481 1.00 0.00 O ATOM 1227 CG2 THR A 584 -0.091 -16.144 -3.381 1.00 0.00 C ATOM 0 H THR A 584 0.552 -13.273 -3.972 1.00 0.00 H new ATOM 0 HA THR A 584 0.268 -14.536 -1.416 1.00 0.00 H new ATOM 0 HB THR A 584 2.024 -15.962 -2.736 1.00 0.00 H new ATOM 0 HG1 THR A 584 2.279 -14.245 -4.413 1.00 0.00 H new ATOM 0 HG21 THR A 584 0.079 -16.969 -4.072 1.00 0.00 H new ATOM 0 HG22 THR A 584 -0.437 -16.537 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 584 -0.847 -15.475 -3.793 1.00 0.00 H new ATOM 1235 N SER A 585 2.116 -13.633 -0.081 1.00 0.00 N ATOM 1236 CA SER A 585 3.288 -13.341 0.747 1.00 0.00 C ATOM 1237 C SER A 585 4.336 -14.450 0.668 1.00 0.00 C ATOM 1238 O SER A 585 5.502 -14.213 0.977 1.00 0.00 O ATOM 1239 CB SER A 585 2.880 -13.181 2.209 1.00 0.00 C ATOM 1240 OG SER A 585 3.852 -12.501 2.983 1.00 0.00 O ATOM 0 H SER A 585 1.245 -13.728 0.442 1.00 0.00 H new ATOM 0 HA SER A 585 3.718 -12.416 0.363 1.00 0.00 H new ATOM 0 HB2 SER A 585 1.937 -12.637 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 585 2.703 -14.166 2.641 1.00 0.00 H new ATOM 0 HG SER A 585 3.742 -11.534 2.870 1.00 0.00 H new ATOM 1246 N LYS A 586 3.944 -15.666 0.288 1.00 0.00 N ATOM 1247 CA LYS A 586 4.883 -16.763 0.152 1.00 0.00 C ATOM 1248 C LYS A 586 5.819 -16.557 -1.044 1.00 0.00 C ATOM 1249 O LYS A 586 6.808 -17.292 -1.129 1.00 0.00 O ATOM 1250 CB LYS A 586 4.115 -18.093 0.087 1.00 0.00 C ATOM 1251 CG LYS A 586 4.676 -19.112 1.087 1.00 0.00 C ATOM 1252 CD LYS A 586 3.881 -20.417 0.994 1.00 0.00 C ATOM 1253 CE LYS A 586 4.412 -21.437 2.004 1.00 0.00 C ATOM 1254 NZ LYS A 586 3.622 -22.684 1.965 1.00 0.00 N ATOM 0 H LYS A 586 2.978 -15.910 0.070 1.00 0.00 H new ATOM 0 HA LYS A 586 5.529 -16.794 1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 586 3.060 -17.917 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 586 4.175 -18.500 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 586 5.729 -19.300 0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 586 4.620 -18.712 2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 586 2.826 -20.222 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 586 3.953 -20.823 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 586 5.457 -21.658 1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 586 4.377 -21.012 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 4.003 -23.358 2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 2.630 -22.474 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 3.676 -23.100 1.013 1.00 0.00 H new ATOM 1268 N GLU A 587 5.569 -15.592 -1.941 1.00 0.00 N ATOM 1269 CA GLU A 587 6.550 -15.200 -2.952 1.00 0.00 C ATOM 1270 C GLU A 587 7.490 -14.109 -2.405 1.00 0.00 C ATOM 1271 O GLU A 587 7.148 -13.446 -1.428 1.00 0.00 O ATOM 1272 CB GLU A 587 5.864 -14.824 -4.275 1.00 0.00 C ATOM 1273 CG GLU A 587 5.570 -13.347 -4.507 1.00 0.00 C ATOM 1274 CD GLU A 587 4.658 -13.208 -5.730 1.00 0.00 C ATOM 1275 OE1 GLU A 587 5.180 -13.317 -6.868 1.00 0.00 O ATOM 1276 OE2 GLU A 587 3.430 -13.043 -5.566 1.00 0.00 O ATOM 0 H GLU A 587 4.693 -15.071 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 587 7.184 -16.056 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 587 6.491 -15.177 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 587 4.923 -15.370 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 587 5.090 -12.916 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 587 6.498 -12.798 -4.665 1.00 0.00 H new ATOM 1283 N PRO A 588 8.668 -13.873 -3.007 1.00 0.00 N ATOM 1284 CA PRO A 588 9.613 -12.840 -2.587 1.00 0.00 C ATOM 1285 C PRO A 588 9.051 -11.428 -2.730 1.00 0.00 C ATOM 1286 O PRO A 588 7.984 -11.201 -3.296 1.00 0.00 O ATOM 1287 CB PRO A 588 10.855 -13.010 -3.465 1.00 0.00 C ATOM 1288 CG PRO A 588 10.643 -14.289 -4.259 1.00 0.00 C ATOM 1289 CD PRO A 588 9.136 -14.533 -4.203 1.00 0.00 C ATOM 0 HA PRO A 588 9.839 -12.959 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 588 10.981 -12.156 -4.130 1.00 0.00 H new ATOM 0 HB3 PRO A 588 11.756 -13.075 -2.856 1.00 0.00 H new ATOM 0 HG2 PRO A 588 10.989 -14.179 -5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 588 11.196 -15.122 -3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 588 8.643 -14.131 -5.088 1.00 0.00 H new ATOM 0 HD3 PRO A 588 8.915 -15.600 -4.171 1.00 0.00 H new ATOM 1297 N VAL A 589 9.800 -10.455 -2.235 1.00 0.00 N ATOM 1298 CA VAL A 589 9.514 -9.037 -2.386 1.00 0.00 C ATOM 1299 C VAL A 589 9.975 -8.619 -3.782 1.00 0.00 C ATOM 1300 O VAL A 589 9.253 -7.922 -4.491 1.00 0.00 O ATOM 1301 CB VAL A 589 10.297 -8.268 -1.292 1.00 0.00 C ATOM 1302 CG1 VAL A 589 9.963 -6.776 -1.187 1.00 0.00 C ATOM 1303 CG2 VAL A 589 10.107 -8.891 0.092 1.00 0.00 C ATOM 0 H VAL A 589 10.650 -10.636 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 589 8.452 -8.820 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 589 11.333 -8.354 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 589 10.560 -6.324 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 589 10.186 -6.286 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 589 8.904 -6.655 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 589 10.673 -8.321 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 589 9.050 -8.876 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 589 10.463 -9.921 0.079 1.00 0.00 H new ATOM 1313 N ALA A 590 11.150 -9.083 -4.220 1.00 0.00 N ATOM 1314 CA ALA A 590 11.686 -8.693 -5.518 1.00 0.00 C ATOM 1315 C ALA A 590 10.791 -9.194 -6.658 1.00 0.00 C ATOM 1316 O ALA A 590 10.629 -8.489 -7.649 1.00 0.00 O ATOM 1317 CB ALA A 590 13.121 -9.183 -5.679 1.00 0.00 C ATOM 0 H ALA A 590 11.742 -9.726 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 590 11.698 -7.604 -5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.501 -8.881 -6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.744 -8.749 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 590 13.145 -10.270 -5.601 1.00 0.00 H new ATOM 1323 N SER A 591 10.142 -10.353 -6.499 1.00 0.00 N ATOM 1324 CA SER A 591 9.135 -10.841 -7.416 1.00 0.00 C ATOM 1325 C SER A 591 7.977 -9.860 -7.561 1.00 0.00 C ATOM 1326 O SER A 591 7.602 -9.520 -8.682 1.00 0.00 O ATOM 1327 CB SER A 591 8.587 -12.144 -6.867 1.00 0.00 C ATOM 1328 OG SER A 591 9.337 -13.263 -7.288 1.00 0.00 O ATOM 0 H SER A 591 10.313 -10.980 -5.713 1.00 0.00 H new ATOM 0 HA SER A 591 9.597 -10.973 -8.395 1.00 0.00 H new ATOM 0 HB2 SER A 591 8.582 -12.103 -5.778 1.00 0.00 H new ATOM 0 HB3 SER A 591 7.552 -12.263 -7.186 1.00 0.00 H new ATOM 0 HG SER A 591 8.752 -14.047 -7.343 1.00 0.00 H new ATOM 1334 N ILE A 592 7.375 -9.419 -6.452 1.00 0.00 N ATOM 1335 CA ILE A 592 6.207 -8.565 -6.579 1.00 0.00 C ATOM 1336 C ILE A 592 6.621 -7.202 -7.133 1.00 0.00 C ATOM 1337 O ILE A 592 5.895 -6.595 -7.911 1.00 0.00 O ATOM 1338 CB ILE A 592 5.390 -8.510 -5.278 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.008 -7.684 -4.137 1.00 0.00 C ATOM 1340 CG2 ILE A 592 5.110 -9.930 -4.763 1.00 0.00 C ATOM 1341 CD1 ILE A 592 5.088 -6.517 -3.792 1.00 0.00 C ATOM 0 H ILE A 592 7.666 -9.631 -5.498 1.00 0.00 H new ATOM 0 HA ILE A 592 5.517 -8.996 -7.304 1.00 0.00 H new ATOM 0 HB ILE A 592 4.473 -7.993 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 592 6.158 -8.313 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 592 6.988 -7.312 -4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.531 -9.875 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.546 -10.485 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 592 6.054 -10.439 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 592 5.528 -5.933 -2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 592 4.960 -5.883 -4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 592 4.117 -6.900 -3.477 1.00 0.00 H new ATOM 1353 N ILE A 593 7.840 -6.752 -6.828 1.00 0.00 N ATOM 1354 CA ILE A 593 8.419 -5.572 -7.442 1.00 0.00 C ATOM 1355 C ILE A 593 8.507 -5.781 -8.957 1.00 0.00 C ATOM 1356 O ILE A 593 7.982 -4.951 -9.694 1.00 0.00 O ATOM 1357 CB ILE A 593 9.764 -5.234 -6.766 1.00 0.00 C ATOM 1358 CG1 ILE A 593 9.479 -4.621 -5.379 1.00 0.00 C ATOM 1359 CG2 ILE A 593 10.587 -4.279 -7.634 1.00 0.00 C ATOM 1360 CD1 ILE A 593 10.732 -4.435 -4.522 1.00 0.00 C ATOM 0 H ILE A 593 8.449 -7.203 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 593 7.785 -4.698 -7.289 1.00 0.00 H new ATOM 0 HB ILE A 593 10.352 -6.144 -6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 593 8.993 -3.654 -5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 593 8.776 -5.261 -4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 593 11.530 -4.056 -7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 593 10.787 -4.745 -8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 593 10.030 -3.355 -7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 593 10.455 -4.000 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.208 -5.402 -4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 593 11.428 -3.770 -5.034 1.00 0.00 H new ATOM 1372 N THR A 594 9.098 -6.888 -9.420 1.00 0.00 N ATOM 1373 CA THR A 594 9.168 -7.325 -10.818 1.00 0.00 C ATOM 1374 C THR A 594 7.841 -7.078 -11.556 1.00 0.00 C ATOM 1375 O THR A 594 7.834 -6.642 -12.707 1.00 0.00 O ATOM 1376 CB THR A 594 9.640 -8.802 -10.839 1.00 0.00 C ATOM 1377 OG1 THR A 594 10.996 -8.883 -11.238 1.00 0.00 O ATOM 1378 CG2 THR A 594 8.777 -9.778 -11.651 1.00 0.00 C ATOM 0 H THR A 594 9.567 -7.541 -8.792 1.00 0.00 H new ATOM 0 HA THR A 594 9.896 -6.732 -11.371 1.00 0.00 H new ATOM 0 HB THR A 594 9.522 -9.137 -9.809 1.00 0.00 H new ATOM 0 HG1 THR A 594 11.280 -9.821 -11.245 1.00 0.00 H new ATOM 0 HG21 THR A 594 9.205 -10.779 -11.591 1.00 0.00 H new ATOM 0 HG22 THR A 594 7.765 -9.792 -11.247 1.00 0.00 H new ATOM 0 HG23 THR A 594 8.747 -9.457 -12.692 1.00 0.00 H new ATOM 1386 N LYS A 595 6.726 -7.341 -10.881 1.00 0.00 N ATOM 1387 CA LYS A 595 5.383 -7.259 -11.427 1.00 0.00 C ATOM 1388 C LYS A 595 4.849 -5.833 -11.346 1.00 0.00 C ATOM 1389 O LYS A 595 4.324 -5.330 -12.335 1.00 0.00 O ATOM 1390 CB LYS A 595 4.463 -8.187 -10.643 1.00 0.00 C ATOM 1391 CG LYS A 595 4.651 -9.690 -10.849 1.00 0.00 C ATOM 1392 CD LYS A 595 3.338 -10.433 -10.543 1.00 0.00 C ATOM 1393 CE LYS A 595 2.396 -10.384 -11.750 1.00 0.00 C ATOM 1394 NZ LYS A 595 1.139 -11.109 -11.493 1.00 0.00 N ATOM 0 H LYS A 595 6.738 -7.628 -9.902 1.00 0.00 H new ATOM 0 HA LYS A 595 5.415 -7.558 -12.475 1.00 0.00 H new ATOM 0 HB2 LYS A 595 4.590 -7.972 -9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 595 3.433 -7.937 -10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 595 4.960 -9.889 -11.875 1.00 0.00 H new ATOM 0 HG3 LYS A 595 5.446 -10.057 -10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 595 3.553 -11.470 -10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 595 2.852 -9.983 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 595 2.173 -9.346 -11.995 1.00 0.00 H new ATOM 0 HE3 LYS A 595 2.894 -10.816 -12.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 0.528 -11.053 -12.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 1.350 -12.106 -11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 0.651 -10.680 -10.681 1.00 0.00 H new ATOM 1408 N LEU A 596 5.033 -5.142 -10.218 1.00 0.00 N ATOM 1409 CA LEU A 596 4.686 -3.728 -10.073 1.00 0.00 C ATOM 1410 C LEU A 596 5.439 -2.866 -11.095 1.00 0.00 C ATOM 1411 O LEU A 596 4.964 -1.790 -11.455 1.00 0.00 O ATOM 1412 CB LEU A 596 4.978 -3.243 -8.643 1.00 0.00 C ATOM 1413 CG LEU A 596 4.091 -3.865 -7.545 1.00 0.00 C ATOM 1414 CD1 LEU A 596 4.645 -3.490 -6.165 1.00 0.00 C ATOM 1415 CD2 LEU A 596 2.638 -3.400 -7.631 1.00 0.00 C ATOM 0 H LEU A 596 5.430 -5.553 -9.373 1.00 0.00 H new ATOM 0 HA LEU A 596 3.618 -3.624 -10.265 1.00 0.00 H new ATOM 0 HB2 LEU A 596 6.021 -3.457 -8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 596 4.860 -2.160 -8.613 1.00 0.00 H new ATOM 0 HG LEU A 596 4.108 -4.945 -7.694 1.00 0.00 H new ATOM 0 HD11 LEU A 596 4.018 -3.930 -5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 596 5.663 -3.868 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 596 4.649 -2.405 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 596 2.058 -3.868 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 596 2.596 -2.316 -7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 596 2.222 -3.683 -8.598 1.00 0.00 H new ATOM 1427 N ASN A 597 6.580 -3.325 -11.609 1.00 0.00 N ATOM 1428 CA ASN A 597 7.281 -2.673 -12.719 1.00 0.00 C ATOM 1429 C ASN A 597 6.552 -2.885 -14.042 1.00 0.00 C ATOM 1430 O ASN A 597 6.577 -2.003 -14.892 1.00 0.00 O ATOM 1431 CB ASN A 597 8.701 -3.211 -12.913 1.00 0.00 C ATOM 1432 CG ASN A 597 9.539 -3.193 -11.654 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.553 -2.219 -10.909 1.00 0.00 O ATOM 1434 ND2 ASN A 597 10.235 -4.284 -11.409 1.00 0.00 N ATOM 0 H ASN A 597 7.048 -4.164 -11.266 1.00 0.00 H new ATOM 0 HA ASN A 597 7.313 -1.617 -12.452 1.00 0.00 H new ATOM 0 HB2 ASN A 597 8.644 -4.234 -13.286 1.00 0.00 H new ATOM 0 HB3 ASN A 597 9.202 -2.620 -13.680 1.00 0.00 H new ATOM 0 HD21 ASN A 597 10.815 -4.342 -10.572 1.00 0.00 H new ATOM 0 HD22 ASN A 597 10.194 -5.071 -12.056 1.00 0.00 H new ATOM 1441 N SER A 598 5.935 -4.050 -14.245 1.00 0.00 N ATOM 1442 CA SER A 598 5.169 -4.392 -15.426 1.00 0.00 C ATOM 1443 C SER A 598 3.822 -3.655 -15.449 1.00 0.00 C ATOM 1444 O SER A 598 3.306 -3.387 -16.531 1.00 0.00 O ATOM 1445 CB SER A 598 4.984 -5.912 -15.419 1.00 0.00 C ATOM 1446 OG SER A 598 5.822 -6.561 -16.361 1.00 0.00 O ATOM 0 H SER A 598 5.961 -4.805 -13.560 1.00 0.00 H new ATOM 0 HA SER A 598 5.695 -4.082 -16.329 1.00 0.00 H new ATOM 0 HB2 SER A 598 5.196 -6.297 -14.422 1.00 0.00 H new ATOM 0 HB3 SER A 598 3.943 -6.150 -15.638 1.00 0.00 H new ATOM 0 HG SER A 598 5.672 -7.529 -16.321 1.00 0.00 H new ATOM 1452 N LEU A 599 3.289 -3.289 -14.284 1.00 0.00 N ATOM 1453 CA LEU A 599 2.135 -2.442 -14.089 1.00 0.00 C ATOM 1454 C LEU A 599 2.571 -0.996 -14.297 1.00 0.00 C ATOM 1455 O LEU A 599 1.882 -0.271 -15.008 1.00 0.00 O ATOM 1456 CB LEU A 599 1.586 -2.672 -12.667 1.00 0.00 C ATOM 1457 CG LEU A 599 0.844 -4.012 -12.497 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.544 -4.260 -11.015 1.00 0.00 C ATOM 1459 CD2 LEU A 599 -0.466 -4.025 -13.285 1.00 0.00 C ATOM 0 H LEU A 599 3.686 -3.603 -13.398 1.00 0.00 H new ATOM 0 HA LEU A 599 1.341 -2.674 -14.799 1.00 0.00 H new ATOM 0 HB2 LEU A 599 2.413 -2.632 -11.957 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.908 -1.857 -12.413 1.00 0.00 H new ATOM 0 HG LEU A 599 1.489 -4.802 -12.883 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.019 -5.209 -10.904 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.479 -4.294 -10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -0.080 -3.453 -10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -0.966 -4.984 -13.145 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -1.113 -3.223 -12.929 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -0.255 -3.878 -14.344 1.00 0.00 H new ATOM 1471 N ASN A 600 3.725 -0.586 -13.737 1.00 0.00 N ATOM 1472 CA ASN A 600 4.304 0.768 -13.827 1.00 0.00 C ATOM 1473 C ASN A 600 3.265 1.854 -13.528 1.00 0.00 C ATOM 1474 O ASN A 600 3.365 2.991 -13.999 1.00 0.00 O ATOM 1475 CB ASN A 600 5.119 0.992 -15.124 1.00 0.00 C ATOM 1476 CG ASN A 600 4.448 0.441 -16.371 1.00 0.00 C ATOM 1477 OD1 ASN A 600 3.720 1.142 -17.070 1.00 0.00 O ATOM 1478 ND2 ASN A 600 4.701 -0.824 -16.658 1.00 0.00 N ATOM 0 H ASN A 600 4.305 -1.218 -13.185 1.00 0.00 H new ATOM 0 HA ASN A 600 5.046 0.856 -13.033 1.00 0.00 H new ATOM 0 HB2 ASN A 600 5.289 2.061 -15.256 1.00 0.00 H new ATOM 0 HB3 ASN A 600 6.098 0.525 -15.013 1.00 0.00 H new ATOM 0 HD21 ASN A 600 4.286 -1.252 -17.486 1.00 0.00 H new ATOM 0 HD22 ASN A 600 5.311 -1.372 -16.052 1.00 0.00 H new ATOM 1485 N GLU A 601 2.293 1.507 -12.688 1.00 0.00 N ATOM 1486 CA GLU A 601 1.303 2.392 -12.135 1.00 0.00 C ATOM 1487 C GLU A 601 1.902 3.063 -10.889 1.00 0.00 C ATOM 1488 O GLU A 601 2.740 2.453 -10.213 1.00 0.00 O ATOM 1489 CB GLU A 601 0.050 1.587 -11.761 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.531 0.818 -12.959 1.00 0.00 C ATOM 1491 CD GLU A 601 -1.972 0.378 -12.695 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -2.895 1.225 -12.769 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -2.234 -0.817 -12.434 1.00 0.00 O ATOM 0 H GLU A 601 2.180 0.546 -12.365 1.00 0.00 H new ATOM 0 HA GLU A 601 1.019 3.154 -12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 601 0.297 0.883 -10.966 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -0.708 2.263 -11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -0.499 1.448 -13.848 1.00 0.00 H new ATOM 0 HG3 GLU A 601 0.086 -0.057 -13.166 1.00 0.00 H new ATOM 1500 N PRO A 602 1.474 4.293 -10.573 1.00 0.00 N ATOM 1501 CA PRO A 602 1.902 5.043 -9.401 1.00 0.00 C ATOM 1502 C PRO A 602 1.303 4.436 -8.133 1.00 0.00 C ATOM 1503 O PRO A 602 0.092 4.197 -8.077 1.00 0.00 O ATOM 1504 CB PRO A 602 1.376 6.465 -9.629 1.00 0.00 C ATOM 1505 CG PRO A 602 0.196 6.298 -10.582 1.00 0.00 C ATOM 1506 CD PRO A 602 0.571 5.071 -11.396 1.00 0.00 C ATOM 0 HA PRO A 602 2.984 5.027 -9.271 1.00 0.00 H new ATOM 0 HB2 PRO A 602 1.065 6.926 -8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 602 2.145 7.106 -10.060 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -0.739 6.151 -10.042 1.00 0.00 H new ATOM 0 HG3 PRO A 602 0.064 7.175 -11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -0.315 4.491 -11.655 1.00 0.00 H new ATOM 0 HD3 PRO A 602 1.049 5.358 -12.333 1.00 0.00 H new ATOM 1514 N LEU A 603 2.130 4.229 -7.102 1.00 0.00 N ATOM 1515 CA LEU A 603 1.697 3.521 -5.897 1.00 0.00 C ATOM 1516 C LEU A 603 1.594 4.453 -4.698 1.00 0.00 C ATOM 1517 O LEU A 603 2.314 5.449 -4.587 1.00 0.00 O ATOM 1518 CB LEU A 603 2.650 2.371 -5.527 1.00 0.00 C ATOM 1519 CG LEU A 603 3.030 1.415 -6.667 1.00 0.00 C ATOM 1520 CD1 LEU A 603 3.976 0.355 -6.098 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.799 0.741 -7.278 1.00 0.00 C ATOM 0 H LEU A 603 3.101 4.542 -7.080 1.00 0.00 H new ATOM 0 HA LEU A 603 0.713 3.116 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.565 2.801 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 603 2.190 1.788 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 603 3.512 1.983 -7.463 1.00 0.00 H new ATOM 0 HD11 LEU A 603 4.262 -0.339 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.868 0.839 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.473 -0.191 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 603 2.111 0.073 -8.081 1.00 0.00 H new ATOM 0 HD22 LEU A 603 1.279 0.168 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 603 1.129 1.502 -7.679 1.00 0.00 H new ATOM 1533 N VAL A 604 0.799 4.032 -3.719 1.00 0.00 N ATOM 1534 CA VAL A 604 0.810 4.547 -2.362 1.00 0.00 C ATOM 1535 C VAL A 604 0.676 3.341 -1.438 1.00 0.00 C ATOM 1536 O VAL A 604 -0.366 2.700 -1.357 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.249 5.658 -2.189 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.646 5.216 -2.613 1.00 0.00 C ATOM 1539 CG2 VAL A 604 -0.336 6.176 -0.748 1.00 0.00 C ATOM 0 H VAL A 604 0.106 3.296 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 604 1.740 5.054 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 604 0.093 6.459 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.347 6.038 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.634 4.930 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -1.957 4.364 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.096 6.955 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.602 5.355 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 604 0.629 6.586 -0.450 1.00 0.00 H new ATOM 1549 N THR A 605 1.767 2.962 -0.788 1.00 0.00 N ATOM 1550 CA THR A 605 1.773 1.862 0.170 1.00 0.00 C ATOM 1551 C THR A 605 2.943 2.021 1.143 1.00 0.00 C ATOM 1552 O THR A 605 3.507 3.101 1.292 1.00 0.00 O ATOM 1553 CB THR A 605 1.705 0.511 -0.564 1.00 0.00 C ATOM 1554 OG1 THR A 605 1.373 -0.513 0.346 1.00 0.00 O ATOM 1555 CG2 THR A 605 2.976 0.134 -1.321 1.00 0.00 C ATOM 0 H THR A 605 2.676 3.409 -0.909 1.00 0.00 H new ATOM 0 HA THR A 605 0.878 1.887 0.792 1.00 0.00 H new ATOM 0 HB THR A 605 0.930 0.627 -1.322 1.00 0.00 H new ATOM 0 HG1 THR A 605 1.307 -1.366 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 605 2.837 -0.832 -1.807 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.189 0.892 -2.075 1.00 0.00 H new ATOM 0 HG23 THR A 605 3.811 0.072 -0.623 1.00 0.00 H new ATOM 1563 N MET A 606 3.274 0.972 1.876 1.00 0.00 N ATOM 1564 CA MET A 606 4.270 0.939 2.925 1.00 0.00 C ATOM 1565 C MET A 606 5.539 0.317 2.341 1.00 0.00 C ATOM 1566 O MET A 606 5.550 -0.026 1.151 1.00 0.00 O ATOM 1567 CB MET A 606 3.642 0.130 4.069 1.00 0.00 C ATOM 1568 CG MET A 606 2.238 0.655 4.374 1.00 0.00 C ATOM 1569 SD MET A 606 0.885 -0.375 3.734 1.00 0.00 S ATOM 1570 CE MET A 606 -0.505 0.777 3.838 1.00 0.00 C ATOM 0 H MET A 606 2.825 0.066 1.744 1.00 0.00 H new ATOM 0 HA MET A 606 4.557 1.916 3.313 1.00 0.00 H new ATOM 0 HB2 MET A 606 3.593 -0.924 3.796 1.00 0.00 H new ATOM 0 HB3 MET A 606 4.266 0.200 4.960 1.00 0.00 H new ATOM 0 HG2 MET A 606 2.126 0.747 5.454 1.00 0.00 H new ATOM 0 HG3 MET A 606 2.141 1.657 3.957 1.00 0.00 H new ATOM 0 HE1 MET A 606 -1.429 0.219 3.988 1.00 0.00 H new ATOM 0 HE2 MET A 606 -0.352 1.458 4.675 1.00 0.00 H new ATOM 0 HE3 MET A 606 -0.573 1.349 2.913 1.00 0.00 H new ATOM 1580 N PRO A 607 6.617 0.120 3.111 1.00 0.00 N ATOM 1581 CA PRO A 607 7.579 -0.889 2.730 1.00 0.00 C ATOM 1582 C PRO A 607 6.896 -2.244 2.921 1.00 0.00 C ATOM 1583 O PRO A 607 6.760 -2.726 4.043 1.00 0.00 O ATOM 1584 CB PRO A 607 8.789 -0.648 3.614 1.00 0.00 C ATOM 1585 CG PRO A 607 8.222 -0.019 4.888 1.00 0.00 C ATOM 1586 CD PRO A 607 6.935 0.673 4.425 1.00 0.00 C ATOM 0 HA PRO A 607 7.915 -0.858 1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.312 -1.579 3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 607 9.506 0.015 3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 607 8.017 -0.773 5.648 1.00 0.00 H new ATOM 0 HG3 PRO A 607 8.922 0.693 5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 607 6.123 0.492 5.129 1.00 0.00 H new ATOM 0 HD3 PRO A 607 7.074 1.753 4.368 1.00 0.00 H new ATOM 1594 N ILE A 608 6.369 -2.806 1.836 1.00 0.00 N ATOM 1595 CA ILE A 608 5.802 -4.147 1.765 1.00 0.00 C ATOM 1596 C ILE A 608 6.707 -5.171 2.464 1.00 0.00 C ATOM 1597 O ILE A 608 6.327 -5.701 3.510 1.00 0.00 O ATOM 1598 CB ILE A 608 5.453 -4.483 0.294 1.00 0.00 C ATOM 1599 CG1 ILE A 608 4.190 -3.698 -0.119 1.00 0.00 C ATOM 1600 CG2 ILE A 608 5.260 -5.992 0.083 1.00 0.00 C ATOM 1601 CD1 ILE A 608 3.914 -3.702 -1.625 1.00 0.00 C ATOM 0 H ILE A 608 6.324 -2.315 0.943 1.00 0.00 H new ATOM 0 HA ILE A 608 4.865 -4.192 2.320 1.00 0.00 H new ATOM 0 HB ILE A 608 6.288 -4.184 -0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 608 3.328 -4.120 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 608 4.291 -2.666 0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 608 5.017 -6.185 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 608 6.179 -6.516 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 608 4.447 -6.347 0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 608 3.010 -3.129 -1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 608 4.756 -3.252 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 608 3.779 -4.728 -1.967 1.00 0.00 H new ATOM 1613 N GLY A 609 7.880 -5.457 1.903 1.00 0.00 N ATOM 1614 CA GLY A 609 8.777 -6.509 2.371 1.00 0.00 C ATOM 1615 C GLY A 609 9.539 -6.004 3.566 1.00 0.00 C ATOM 1616 O GLY A 609 10.700 -5.671 3.429 1.00 0.00 O ATOM 0 H GLY A 609 8.240 -4.952 1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 609 8.207 -7.400 2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 609 9.467 -6.796 1.578 1.00 0.00 H new ATOM 1620 N TYR A 610 8.890 -5.913 4.716 1.00 0.00 N ATOM 1621 CA TYR A 610 9.423 -5.313 5.927 1.00 0.00 C ATOM 1622 C TYR A 610 9.164 -6.210 7.126 1.00 0.00 C ATOM 1623 O TYR A 610 10.089 -6.532 7.859 1.00 0.00 O ATOM 1624 CB TYR A 610 8.787 -3.929 6.045 1.00 0.00 C ATOM 1625 CG TYR A 610 9.072 -3.180 7.319 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.394 -2.881 7.694 1.00 0.00 C ATOM 1627 CD2 TYR A 610 7.996 -2.804 8.140 1.00 0.00 C ATOM 1628 CE1 TYR A 610 10.648 -2.243 8.920 1.00 0.00 C ATOM 1629 CE2 TYR A 610 8.241 -2.191 9.374 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.568 -1.931 9.782 1.00 0.00 C ATOM 1631 OH TYR A 610 9.787 -1.387 11.006 1.00 0.00 O ATOM 0 H TYR A 610 7.942 -6.269 4.835 1.00 0.00 H new ATOM 0 HA TYR A 610 10.507 -5.202 5.890 1.00 0.00 H new ATOM 0 HB2 TYR A 610 9.127 -3.322 5.206 1.00 0.00 H new ATOM 0 HB3 TYR A 610 7.707 -4.037 5.944 1.00 0.00 H new ATOM 0 HD1 TYR A 610 11.213 -3.141 7.040 1.00 0.00 H new ATOM 0 HD2 TYR A 610 6.981 -2.988 7.819 1.00 0.00 H new ATOM 0 HE1 TYR A 610 11.660 -1.992 9.203 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.416 -1.917 10.014 1.00 0.00 H new ATOM 0 HH TYR A 610 8.929 -1.240 11.457 1.00 0.00 H new ATOM 1641 N VAL A 611 7.933 -6.680 7.290 1.00 0.00 N ATOM 1642 CA VAL A 611 7.470 -7.394 8.473 1.00 0.00 C ATOM 1643 C VAL A 611 6.736 -8.650 8.010 1.00 0.00 C ATOM 1644 O VAL A 611 7.070 -9.749 8.443 1.00 0.00 O ATOM 1645 CB VAL A 611 6.602 -6.436 9.319 1.00 0.00 C ATOM 1646 CG1 VAL A 611 5.647 -7.144 10.288 1.00 0.00 C ATOM 1647 CG2 VAL A 611 7.467 -5.463 10.123 1.00 0.00 C ATOM 0 H VAL A 611 7.208 -6.571 6.581 1.00 0.00 H new ATOM 0 HA VAL A 611 8.289 -7.719 9.114 1.00 0.00 H new ATOM 0 HB VAL A 611 5.997 -5.901 8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 611 5.075 -6.401 10.843 1.00 0.00 H new ATOM 0 HG12 VAL A 611 4.965 -7.781 9.726 1.00 0.00 H new ATOM 0 HG13 VAL A 611 6.222 -7.754 10.985 1.00 0.00 H new ATOM 0 HG21 VAL A 611 6.825 -4.803 10.707 1.00 0.00 H new ATOM 0 HG22 VAL A 611 8.118 -6.024 10.794 1.00 0.00 H new ATOM 0 HG23 VAL A 611 8.075 -4.868 9.441 1.00 0.00 H new ATOM 1657 N THR A 612 5.838 -8.533 7.027 1.00 0.00 N ATOM 1658 CA THR A 612 5.159 -9.647 6.357 1.00 0.00 C ATOM 1659 C THR A 612 6.142 -10.603 5.648 1.00 0.00 C ATOM 1660 O THR A 612 5.705 -11.543 4.994 1.00 0.00 O ATOM 1661 CB THR A 612 4.109 -9.034 5.399 1.00 0.00 C ATOM 1662 OG1 THR A 612 3.102 -9.940 4.991 1.00 0.00 O ATOM 1663 CG2 THR A 612 4.765 -8.411 4.164 1.00 0.00 C ATOM 0 H THR A 612 5.553 -7.624 6.662 1.00 0.00 H new ATOM 0 HA THR A 612 4.661 -10.281 7.091 1.00 0.00 H new ATOM 0 HB THR A 612 3.621 -8.257 5.987 1.00 0.00 H new ATOM 0 HG1 THR A 612 3.506 -10.810 4.791 1.00 0.00 H new ATOM 0 HG21 THR A 612 3.996 -7.991 3.516 1.00 0.00 H new ATOM 0 HG22 THR A 612 5.448 -7.621 4.475 1.00 0.00 H new ATOM 0 HG23 THR A 612 5.319 -9.177 3.621 1.00 0.00 H new ATOM 1671 N HIS A 613 7.456 -10.347 5.682 1.00 0.00 N ATOM 1672 CA HIS A 613 8.530 -11.161 5.111 1.00 0.00 C ATOM 1673 C HIS A 613 9.680 -11.366 6.096 1.00 0.00 C ATOM 1674 O HIS A 613 10.701 -11.929 5.709 1.00 0.00 O ATOM 1675 CB HIS A 613 9.051 -10.499 3.824 1.00 0.00 C ATOM 1676 CG HIS A 613 8.284 -10.938 2.609 1.00 0.00 C ATOM 1677 ND1 HIS A 613 6.913 -11.060 2.508 1.00 0.00 N ATOM 1678 CD2 HIS A 613 8.839 -11.436 1.464 1.00 0.00 C ATOM 1679 CE1 HIS A 613 6.645 -11.566 1.300 1.00 0.00 C ATOM 1680 NE2 HIS A 613 7.793 -11.824 0.655 1.00 0.00 N ATOM 0 H HIS A 613 7.818 -9.510 6.140 1.00 0.00 H new ATOM 0 HA HIS A 613 8.118 -12.144 4.883 1.00 0.00 H new ATOM 0 HB2 HIS A 613 8.984 -9.415 3.922 1.00 0.00 H new ATOM 0 HB3 HIS A 613 10.105 -10.742 3.693 1.00 0.00 H new ATOM 0 HD2 HIS A 613 9.892 -11.511 1.237 1.00 0.00 H new ATOM 0 HE1 HIS A 613 5.656 -11.740 0.904 1.00 0.00 H new ATOM 0 HE2 HIS A 613 7.877 -12.236 -0.274 1.00 0.00 H new ATOM 1689 N GLY A 614 9.559 -10.874 7.332 1.00 0.00 N ATOM 1690 CA GLY A 614 10.675 -10.888 8.258 1.00 0.00 C ATOM 1691 C GLY A 614 11.876 -10.120 7.712 1.00 0.00 C ATOM 1692 O GLY A 614 13.006 -10.544 7.934 1.00 0.00 O ATOM 0 H GLY A 614 8.702 -10.465 7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 614 10.365 -10.451 9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 614 10.965 -11.919 8.462 1.00 0.00 H new ATOM 1696 N PHE A 615 11.661 -9.027 6.973 1.00 0.00 N ATOM 1697 CA PHE A 615 12.783 -8.186 6.555 1.00 0.00 C ATOM 1698 C PHE A 615 13.117 -7.227 7.711 1.00 0.00 C ATOM 1699 O PHE A 615 12.650 -7.389 8.844 1.00 0.00 O ATOM 1700 CB PHE A 615 12.439 -7.498 5.220 1.00 0.00 C ATOM 1701 CG PHE A 615 12.694 -8.284 3.935 1.00 0.00 C ATOM 1702 CD1 PHE A 615 12.759 -9.694 3.903 1.00 0.00 C ATOM 1703 CD2 PHE A 615 12.871 -7.573 2.731 1.00 0.00 C ATOM 1704 CE1 PHE A 615 13.016 -10.366 2.693 1.00 0.00 C ATOM 1705 CE2 PHE A 615 13.134 -8.239 1.525 1.00 0.00 C ATOM 1706 CZ PHE A 615 13.213 -9.641 1.505 1.00 0.00 C ATOM 0 H PHE A 615 10.744 -8.711 6.659 1.00 0.00 H new ATOM 0 HA PHE A 615 13.685 -8.764 6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.384 -7.226 5.244 1.00 0.00 H new ATOM 0 HB3 PHE A 615 13.007 -6.569 5.164 1.00 0.00 H new ATOM 0 HD1 PHE A 615 12.611 -10.260 4.811 1.00 0.00 H new ATOM 0 HD2 PHE A 615 12.803 -6.495 2.737 1.00 0.00 H new ATOM 0 HE1 PHE A 615 13.062 -11.445 2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 615 13.275 -7.675 0.615 1.00 0.00 H new ATOM 0 HZ PHE A 615 13.424 -10.160 0.581 1.00 0.00 H new ATOM 1716 N ASN A 616 13.947 -6.228 7.436 1.00 0.00 N ATOM 1717 CA ASN A 616 14.257 -5.120 8.332 1.00 0.00 C ATOM 1718 C ASN A 616 13.907 -3.851 7.579 1.00 0.00 C ATOM 1719 O ASN A 616 13.674 -3.931 6.371 1.00 0.00 O ATOM 1720 CB ASN A 616 15.758 -5.096 8.691 1.00 0.00 C ATOM 1721 CG ASN A 616 16.419 -6.465 8.890 1.00 0.00 C ATOM 1722 OD1 ASN A 616 15.814 -7.420 9.362 1.00 0.00 O ATOM 1723 ND2 ASN A 616 17.684 -6.622 8.540 1.00 0.00 N ATOM 0 H ASN A 616 14.443 -6.165 6.547 1.00 0.00 H new ATOM 0 HA ASN A 616 13.697 -5.218 9.262 1.00 0.00 H new ATOM 0 HB2 ASN A 616 16.292 -4.567 7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 616 15.884 -4.516 9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 616 18.139 -7.526 8.665 1.00 0.00 H new ATOM 0 HD22 ASN A 616 18.205 -5.839 8.145 1.00 0.00 H new ATOM 1730 N LEU A 617 13.931 -2.681 8.233 1.00 0.00 N ATOM 1731 CA LEU A 617 13.725 -1.416 7.521 1.00 0.00 C ATOM 1732 C LEU A 617 14.736 -1.374 6.376 1.00 0.00 C ATOM 1733 O LEU A 617 14.345 -1.283 5.217 1.00 0.00 O ATOM 1734 CB LEU A 617 13.821 -0.167 8.445 1.00 0.00 C ATOM 1735 CG LEU A 617 13.184 1.108 7.835 1.00 0.00 C ATOM 1736 CD1 LEU A 617 13.751 1.373 6.472 1.00 0.00 C ATOM 1737 CD2 LEU A 617 11.649 1.090 7.879 1.00 0.00 C ATOM 0 H LEU A 617 14.088 -2.586 9.236 1.00 0.00 H new ATOM 0 HA LEU A 617 12.707 -1.377 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 617 13.332 -0.389 9.394 1.00 0.00 H new ATOM 0 HB3 LEU A 617 14.870 0.031 8.666 1.00 0.00 H new ATOM 0 HG LEU A 617 13.456 1.956 8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 617 13.294 2.271 6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 617 14.829 1.516 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 617 13.542 0.525 5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 617 11.262 2.008 7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 617 11.279 0.233 7.316 1.00 0.00 H new ATOM 0 HD23 LEU A 617 11.316 1.016 8.914 1.00 0.00 H new ATOM 1749 N GLU A 618 16.019 -1.450 6.720 1.00 0.00 N ATOM 1750 CA GLU A 618 17.141 -1.312 5.807 1.00 0.00 C ATOM 1751 C GLU A 618 16.964 -2.191 4.562 1.00 0.00 C ATOM 1752 O GLU A 618 17.130 -1.722 3.436 1.00 0.00 O ATOM 1753 CB GLU A 618 18.383 -1.687 6.619 1.00 0.00 C ATOM 1754 CG GLU A 618 19.705 -1.541 5.862 1.00 0.00 C ATOM 1755 CD GLU A 618 20.905 -1.791 6.779 1.00 0.00 C ATOM 1756 OE1 GLU A 618 20.880 -1.422 7.978 1.00 0.00 O ATOM 1757 OE2 GLU A 618 21.882 -2.404 6.299 1.00 0.00 O ATOM 0 H GLU A 618 16.313 -1.616 7.682 1.00 0.00 H new ATOM 0 HA GLU A 618 17.226 -0.296 5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.420 -1.063 7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 618 18.284 -2.719 6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 618 19.729 -2.244 5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 618 19.773 -0.540 5.436 1.00 0.00 H new ATOM 1764 N GLU A 619 16.600 -3.459 4.766 1.00 0.00 N ATOM 1765 CA GLU A 619 16.439 -4.427 3.684 1.00 0.00 C ATOM 1766 C GLU A 619 15.194 -4.125 2.865 1.00 0.00 C ATOM 1767 O GLU A 619 15.251 -4.180 1.643 1.00 0.00 O ATOM 1768 CB GLU A 619 16.401 -5.862 4.232 1.00 0.00 C ATOM 1769 CG GLU A 619 17.681 -6.101 5.061 1.00 0.00 C ATOM 1770 CD GLU A 619 18.058 -7.575 5.181 1.00 0.00 C ATOM 1771 OE1 GLU A 619 18.746 -8.072 4.268 1.00 0.00 O ATOM 1772 OE2 GLU A 619 17.639 -8.218 6.177 1.00 0.00 O ATOM 0 H GLU A 619 16.408 -3.843 5.691 1.00 0.00 H new ATOM 0 HA GLU A 619 17.303 -4.341 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.516 -6.008 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 619 16.340 -6.579 3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 619 18.508 -5.558 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 619 17.541 -5.687 6.059 1.00 0.00 H new ATOM 1779 N ALA A 620 14.088 -3.770 3.517 1.00 0.00 N ATOM 1780 CA ALA A 620 12.845 -3.401 2.861 1.00 0.00 C ATOM 1781 C ALA A 620 13.056 -2.208 1.933 1.00 0.00 C ATOM 1782 O ALA A 620 12.648 -2.224 0.775 1.00 0.00 O ATOM 1783 CB ALA A 620 11.804 -3.058 3.930 1.00 0.00 C ATOM 0 H ALA A 620 14.035 -3.732 4.535 1.00 0.00 H new ATOM 0 HA ALA A 620 12.495 -4.239 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 620 10.867 -2.779 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 620 11.640 -3.925 4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.163 -2.225 4.534 1.00 0.00 H new ATOM 1789 N ALA A 621 13.685 -1.164 2.463 1.00 0.00 N ATOM 1790 CA ALA A 621 14.027 0.056 1.767 1.00 0.00 C ATOM 1791 C ALA A 621 14.945 -0.259 0.577 1.00 0.00 C ATOM 1792 O ALA A 621 14.621 0.098 -0.554 1.00 0.00 O ATOM 1793 CB ALA A 621 14.685 0.986 2.797 1.00 0.00 C ATOM 0 H ALA A 621 13.982 -1.153 3.439 1.00 0.00 H new ATOM 0 HA ALA A 621 13.150 0.549 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 621 14.962 1.924 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 621 13.983 1.187 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 621 15.578 0.508 3.201 1.00 0.00 H new ATOM 1799 N ARG A 622 16.062 -0.964 0.791 1.00 0.00 N ATOM 1800 CA ARG A 622 16.972 -1.352 -0.294 1.00 0.00 C ATOM 1801 C ARG A 622 16.248 -2.167 -1.356 1.00 0.00 C ATOM 1802 O ARG A 622 16.405 -1.906 -2.548 1.00 0.00 O ATOM 1803 CB ARG A 622 18.154 -2.132 0.281 1.00 0.00 C ATOM 1804 CG ARG A 622 19.186 -1.160 0.876 1.00 0.00 C ATOM 1805 CD ARG A 622 20.012 -1.831 1.972 1.00 0.00 C ATOM 1806 NE ARG A 622 21.461 -1.664 1.777 1.00 0.00 N ATOM 1807 CZ ARG A 622 22.350 -2.621 1.489 1.00 0.00 C ATOM 1808 NH1 ARG A 622 21.949 -3.840 1.136 1.00 0.00 N ATOM 1809 NH2 ARG A 622 23.655 -2.355 1.531 1.00 0.00 N ATOM 0 H ARG A 622 16.360 -1.280 1.714 1.00 0.00 H new ATOM 0 HA ARG A 622 17.344 -0.448 -0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 622 17.806 -2.821 1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.618 -2.734 -0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 622 19.847 -0.801 0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 622 18.675 -0.289 1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 622 19.730 -1.415 2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 622 19.774 -2.894 2.000 1.00 0.00 H new ATOM 0 HE ARG A 622 21.827 -0.717 1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 622 20.953 -4.054 1.082 1.00 0.00 H new ATOM 0 HH12 ARG A 622 22.638 -4.560 0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 622 23.977 -1.421 1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 622 24.332 -3.086 1.311 1.00 0.00 H new ATOM 1823 N CYS A 623 15.431 -3.132 -0.941 1.00 0.00 N ATOM 1824 CA CYS A 623 14.631 -3.942 -1.839 1.00 0.00 C ATOM 1825 C CYS A 623 13.729 -3.042 -2.683 1.00 0.00 C ATOM 1826 O CYS A 623 13.642 -3.237 -3.893 1.00 0.00 O ATOM 1827 CB CYS A 623 13.808 -4.962 -1.037 1.00 0.00 C ATOM 1828 SG CYS A 623 13.160 -6.236 -2.144 1.00 0.00 S ATOM 0 H CYS A 623 15.309 -3.372 0.043 1.00 0.00 H new ATOM 0 HA CYS A 623 15.287 -4.494 -2.512 1.00 0.00 H new ATOM 0 HB2 CYS A 623 14.430 -5.419 -0.267 1.00 0.00 H new ATOM 0 HB3 CYS A 623 12.987 -4.459 -0.527 1.00 0.00 H new ATOM 0 HG CYS A 623 13.433 -7.411 -1.660 1.00 0.00 H new ATOM 1834 N MET A 624 13.047 -2.079 -2.063 1.00 0.00 N ATOM 1835 CA MET A 624 12.052 -1.254 -2.733 1.00 0.00 C ATOM 1836 C MET A 624 12.636 -0.269 -3.746 1.00 0.00 C ATOM 1837 O MET A 624 11.922 0.110 -4.671 1.00 0.00 O ATOM 1838 CB MET A 624 11.123 -0.591 -1.722 1.00 0.00 C ATOM 1839 CG MET A 624 11.531 0.755 -1.144 1.00 0.00 C ATOM 1840 SD MET A 624 10.591 2.155 -1.815 1.00 0.00 S ATOM 1841 CE MET A 624 8.907 1.658 -1.364 1.00 0.00 C ATOM 0 H MET A 624 13.173 -1.851 -1.077 1.00 0.00 H new ATOM 0 HA MET A 624 11.450 -1.930 -3.341 1.00 0.00 H new ATOM 0 HB2 MET A 624 10.149 -0.468 -2.196 1.00 0.00 H new ATOM 0 HB3 MET A 624 10.988 -1.283 -0.891 1.00 0.00 H new ATOM 0 HG2 MET A 624 11.403 0.729 -0.062 1.00 0.00 H new ATOM 0 HG3 MET A 624 12.592 0.916 -1.336 1.00 0.00 H new ATOM 0 HE1 MET A 624 8.196 2.387 -1.752 1.00 0.00 H new ATOM 0 HE2 MET A 624 8.690 0.678 -1.790 1.00 0.00 H new ATOM 0 HE3 MET A 624 8.820 1.609 -0.279 1.00 0.00 H new ATOM 1851 N ARG A 625 13.924 0.091 -3.655 1.00 0.00 N ATOM 1852 CA ARG A 625 14.598 0.855 -4.716 1.00 0.00 C ATOM 1853 C ARG A 625 14.533 0.146 -6.070 1.00 0.00 C ATOM 1854 O ARG A 625 14.487 0.796 -7.113 1.00 0.00 O ATOM 1855 CB ARG A 625 16.055 1.137 -4.351 1.00 0.00 C ATOM 1856 CG ARG A 625 16.144 2.050 -3.123 1.00 0.00 C ATOM 1857 CD ARG A 625 17.581 2.429 -2.800 1.00 0.00 C ATOM 1858 NE ARG A 625 18.137 3.351 -3.797 1.00 0.00 N ATOM 1859 CZ ARG A 625 18.984 3.033 -4.783 1.00 0.00 C ATOM 1860 NH1 ARG A 625 19.423 1.792 -4.962 1.00 0.00 N ATOM 1861 NH2 ARG A 625 19.445 3.979 -5.587 1.00 0.00 N ATOM 0 H ARG A 625 14.520 -0.134 -2.859 1.00 0.00 H new ATOM 0 HA ARG A 625 14.062 1.800 -4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 625 16.572 0.199 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 625 16.561 1.605 -5.195 1.00 0.00 H new ATOM 0 HG2 ARG A 625 15.561 2.954 -3.300 1.00 0.00 H new ATOM 0 HG3 ARG A 625 15.699 1.547 -2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 625 17.622 2.891 -1.814 1.00 0.00 H new ATOM 0 HD3 ARG A 625 18.194 1.529 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 625 17.850 4.328 -3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 625 19.115 1.047 -4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 625 20.068 1.584 -5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 625 19.154 4.948 -5.454 1.00 0.00 H new ATOM 0 HH22 ARG A 625 20.091 3.739 -6.339 1.00 0.00 H new ATOM 1875 N SER A 626 14.480 -1.187 -6.074 1.00 0.00 N ATOM 1876 CA SER A 626 14.319 -1.974 -7.285 1.00 0.00 C ATOM 1877 C SER A 626 12.959 -1.773 -7.957 1.00 0.00 C ATOM 1878 O SER A 626 12.766 -2.293 -9.057 1.00 0.00 O ATOM 1879 CB SER A 626 14.462 -3.447 -6.928 1.00 0.00 C ATOM 1880 OG SER A 626 15.672 -3.684 -6.239 1.00 0.00 O ATOM 0 H SER A 626 14.549 -1.750 -5.226 1.00 0.00 H new ATOM 0 HA SER A 626 15.084 -1.644 -7.988 1.00 0.00 H new ATOM 0 HB2 SER A 626 13.620 -3.759 -6.310 1.00 0.00 H new ATOM 0 HB3 SER A 626 14.432 -4.050 -7.836 1.00 0.00 H new ATOM 0 HG SER A 626 15.513 -3.636 -5.273 1.00 0.00 H new ATOM 1886 N LEU A 627 12.001 -1.087 -7.322 1.00 0.00 N ATOM 1887 CA LEU A 627 10.759 -0.678 -7.955 1.00 0.00 C ATOM 1888 C LEU A 627 11.072 0.462 -8.900 1.00 0.00 C ATOM 1889 O LEU A 627 11.658 1.473 -8.524 1.00 0.00 O ATOM 1890 CB LEU A 627 9.737 -0.246 -6.897 1.00 0.00 C ATOM 1891 CG LEU A 627 8.396 0.200 -7.501 1.00 0.00 C ATOM 1892 CD1 LEU A 627 7.587 -0.975 -8.062 1.00 0.00 C ATOM 1893 CD2 LEU A 627 7.583 0.903 -6.419 1.00 0.00 C ATOM 0 H LEU A 627 12.075 -0.802 -6.346 1.00 0.00 H new ATOM 0 HA LEU A 627 10.323 -1.510 -8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 627 9.562 -1.074 -6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.154 0.572 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 627 8.609 0.872 -8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 627 6.649 -0.606 -8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.160 -1.470 -8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 627 7.376 -1.686 -7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 627 6.628 1.225 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 627 7.406 0.215 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 627 8.133 1.772 -6.057 1.00 0.00 H new ATOM 1905 N LYS A 628 10.673 0.297 -10.150 1.00 0.00 N ATOM 1906 CA LYS A 628 11.052 1.146 -11.265 1.00 0.00 C ATOM 1907 C LYS A 628 9.881 2.081 -11.606 1.00 0.00 C ATOM 1908 O LYS A 628 9.695 2.428 -12.771 1.00 0.00 O ATOM 1909 CB LYS A 628 11.508 0.224 -12.421 1.00 0.00 C ATOM 1910 CG LYS A 628 12.393 -0.991 -12.036 1.00 0.00 C ATOM 1911 CD LYS A 628 13.887 -0.793 -11.717 1.00 0.00 C ATOM 1912 CE LYS A 628 14.250 0.308 -10.711 1.00 0.00 C ATOM 1913 NZ LYS A 628 14.553 1.599 -11.368 1.00 0.00 N ATOM 0 H LYS A 628 10.051 -0.463 -10.426 1.00 0.00 H new ATOM 0 HA LYS A 628 11.890 1.804 -11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 628 10.619 -0.150 -12.929 1.00 0.00 H new ATOM 0 HB3 LYS A 628 12.056 0.829 -13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 628 11.936 -1.460 -11.165 1.00 0.00 H new ATOM 0 HG3 LYS A 628 12.330 -1.709 -12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 628 14.280 -1.737 -11.340 1.00 0.00 H new ATOM 0 HD3 LYS A 628 14.407 -0.581 -12.651 1.00 0.00 H new ATOM 0 HE2 LYS A 628 13.424 0.444 -10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 628 15.113 -0.009 -10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 14.608 2.349 -10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 15.463 1.529 -11.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 13.801 1.827 -12.049 1.00 0.00 H new ATOM 1927 N ALA A 629 9.063 2.430 -10.606 1.00 0.00 N ATOM 1928 CA ALA A 629 7.829 3.210 -10.665 1.00 0.00 C ATOM 1929 C ALA A 629 7.781 4.127 -9.425 1.00 0.00 C ATOM 1930 O ALA A 629 8.570 3.893 -8.499 1.00 0.00 O ATOM 1931 CB ALA A 629 6.648 2.225 -10.685 1.00 0.00 C ATOM 0 H ALA A 629 9.271 2.146 -9.649 1.00 0.00 H new ATOM 0 HA ALA A 629 7.780 3.833 -11.558 1.00 0.00 H new ATOM 0 HB1 ALA A 629 5.711 2.781 -10.729 1.00 0.00 H new ATOM 0 HB2 ALA A 629 6.728 1.579 -11.559 1.00 0.00 H new ATOM 0 HB3 ALA A 629 6.667 1.616 -9.781 1.00 0.00 H new ATOM 1937 N PRO A 630 6.912 5.153 -9.385 1.00 0.00 N ATOM 1938 CA PRO A 630 6.708 5.979 -8.205 1.00 0.00 C ATOM 1939 C PRO A 630 5.988 5.220 -7.101 1.00 0.00 C ATOM 1940 O PRO A 630 5.086 4.420 -7.358 1.00 0.00 O ATOM 1941 CB PRO A 630 5.881 7.190 -8.643 1.00 0.00 C ATOM 1942 CG PRO A 630 5.417 6.901 -10.067 1.00 0.00 C ATOM 1943 CD PRO A 630 6.115 5.621 -10.502 1.00 0.00 C ATOM 0 HA PRO A 630 7.671 6.283 -7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 630 5.029 7.339 -7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 630 6.477 8.102 -8.606 1.00 0.00 H new ATOM 0 HG2 PRO A 630 4.334 6.784 -10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 630 5.672 7.726 -10.732 1.00 0.00 H new ATOM 0 HD2 PRO A 630 5.384 4.867 -10.793 1.00 0.00 H new ATOM 0 HD3 PRO A 630 6.746 5.806 -11.371 1.00 0.00 H new ATOM 1951 N ALA A 631 6.352 5.528 -5.860 1.00 0.00 N ATOM 1952 CA ALA A 631 5.768 4.950 -4.673 1.00 0.00 C ATOM 1953 C ALA A 631 5.822 5.962 -3.538 1.00 0.00 C ATOM 1954 O ALA A 631 6.898 6.258 -3.013 1.00 0.00 O ATOM 1955 CB ALA A 631 6.543 3.684 -4.317 1.00 0.00 C ATOM 0 H ALA A 631 7.084 6.208 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 631 4.724 4.690 -4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 631 6.114 3.235 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 631 6.482 2.976 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.587 3.937 -4.132 1.00 0.00 H new ATOM 1961 N VAL A 632 4.664 6.482 -3.140 1.00 0.00 N ATOM 1962 CA VAL A 632 4.538 7.095 -1.823 1.00 0.00 C ATOM 1963 C VAL A 632 4.815 5.995 -0.797 1.00 0.00 C ATOM 1964 O VAL A 632 4.371 4.851 -0.978 1.00 0.00 O ATOM 1965 CB VAL A 632 3.145 7.732 -1.669 1.00 0.00 C ATOM 1966 CG1 VAL A 632 2.810 8.160 -0.235 1.00 0.00 C ATOM 1967 CG2 VAL A 632 3.044 8.982 -2.541 1.00 0.00 C ATOM 0 H VAL A 632 3.812 6.491 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 632 5.251 7.906 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 632 2.441 6.956 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 632 1.813 8.599 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 632 2.840 7.290 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 632 3.539 8.896 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.055 9.427 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 632 3.803 9.702 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.201 8.711 -3.585 1.00 0.00 H new ATOM 1977 N VAL A 633 5.534 6.332 0.275 1.00 0.00 N ATOM 1978 CA VAL A 633 5.845 5.402 1.351 1.00 0.00 C ATOM 1979 C VAL A 633 5.371 5.976 2.658 1.00 0.00 C ATOM 1980 O VAL A 633 5.788 7.059 3.043 1.00 0.00 O ATOM 1981 CB VAL A 633 7.330 5.017 1.403 1.00 0.00 C ATOM 1982 CG1 VAL A 633 7.530 3.937 2.479 1.00 0.00 C ATOM 1983 CG2 VAL A 633 7.805 4.469 0.062 1.00 0.00 C ATOM 0 H VAL A 633 5.918 7.266 0.418 1.00 0.00 H new ATOM 0 HA VAL A 633 5.314 4.471 1.153 1.00 0.00 H new ATOM 0 HB VAL A 633 7.909 5.910 1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 633 8.583 3.657 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.217 4.326 3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 633 6.932 3.060 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 633 8.860 4.205 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.225 3.582 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 633 7.670 5.227 -0.709 1.00 0.00 H new ATOM 1993 N SER A 634 4.560 5.200 3.361 1.00 0.00 N ATOM 1994 CA SER A 634 4.299 5.426 4.757 1.00 0.00 C ATOM 1995 C SER A 634 5.018 4.314 5.502 1.00 0.00 C ATOM 1996 O SER A 634 4.631 3.144 5.432 1.00 0.00 O ATOM 1997 CB SER A 634 2.793 5.451 4.960 1.00 0.00 C ATOM 1998 OG SER A 634 2.415 5.777 6.285 1.00 0.00 O ATOM 0 H SER A 634 4.068 4.397 2.970 1.00 0.00 H new ATOM 0 HA SER A 634 4.666 6.380 5.136 1.00 0.00 H new ATOM 0 HB2 SER A 634 2.352 6.175 4.275 1.00 0.00 H new ATOM 0 HB3 SER A 634 2.382 4.475 4.701 1.00 0.00 H new ATOM 0 HG SER A 634 3.108 5.472 6.907 1.00 0.00 H new ATOM 2004 N VAL A 635 6.059 4.681 6.240 1.00 0.00 N ATOM 2005 CA VAL A 635 6.381 3.976 7.477 1.00 0.00 C ATOM 2006 C VAL A 635 5.214 4.186 8.458 1.00 0.00 C ATOM 2007 O VAL A 635 4.302 4.972 8.178 1.00 0.00 O ATOM 2008 CB VAL A 635 7.725 4.484 8.032 1.00 0.00 C ATOM 2009 CG1 VAL A 635 8.896 3.903 7.230 1.00 0.00 C ATOM 2010 CG2 VAL A 635 7.826 6.012 8.015 1.00 0.00 C ATOM 0 H VAL A 635 6.687 5.451 6.009 1.00 0.00 H new ATOM 0 HA VAL A 635 6.501 2.906 7.307 1.00 0.00 H new ATOM 0 HB VAL A 635 7.775 4.149 9.068 1.00 0.00 H new ATOM 0 HG11 VAL A 635 9.836 4.274 7.638 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.877 2.815 7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 635 8.808 4.206 6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 635 8.792 6.317 8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 635 7.729 6.372 6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.029 6.436 8.626 1.00 0.00 H new ATOM 2020 N SER A 636 5.213 3.486 9.593 1.00 0.00 N ATOM 2021 CA SER A 636 4.164 3.635 10.594 1.00 0.00 C ATOM 2022 C SER A 636 4.589 4.564 11.737 1.00 0.00 C ATOM 2023 O SER A 636 3.761 4.878 12.593 1.00 0.00 O ATOM 2024 CB SER A 636 3.673 2.258 11.057 1.00 0.00 C ATOM 2025 OG SER A 636 4.733 1.393 11.427 1.00 0.00 O ATOM 0 H SER A 636 5.933 2.807 9.840 1.00 0.00 H new ATOM 0 HA SER A 636 3.309 4.133 10.138 1.00 0.00 H new ATOM 0 HB2 SER A 636 3.000 2.384 11.905 1.00 0.00 H new ATOM 0 HB3 SER A 636 3.095 1.795 10.257 1.00 0.00 H new ATOM 0 HG SER A 636 4.366 0.531 11.715 1.00 0.00 H new ATOM 2031 N SER A 637 5.838 5.046 11.747 1.00 0.00 N ATOM 2032 CA SER A 637 6.343 5.985 12.740 1.00 0.00 C ATOM 2033 C SER A 637 7.099 7.124 12.064 1.00 0.00 C ATOM 2034 O SER A 637 7.836 6.870 11.108 1.00 0.00 O ATOM 2035 CB SER A 637 7.276 5.279 13.727 1.00 0.00 C ATOM 2036 OG SER A 637 8.112 4.318 13.096 1.00 0.00 O ATOM 0 H SER A 637 6.534 4.785 11.049 1.00 0.00 H new ATOM 0 HA SER A 637 5.488 6.390 13.281 1.00 0.00 H new ATOM 0 HB2 SER A 637 7.897 6.021 14.229 1.00 0.00 H new ATOM 0 HB3 SER A 637 6.681 4.788 14.497 1.00 0.00 H new ATOM 0 HG SER A 637 8.689 3.896 13.766 1.00 0.00 H new ATOM 2042 N PRO A 638 7.042 8.342 12.621 1.00 0.00 N ATOM 2043 CA PRO A 638 7.674 9.500 12.018 1.00 0.00 C ATOM 2044 C PRO A 638 9.187 9.404 12.042 1.00 0.00 C ATOM 2045 O PRO A 638 9.831 9.900 11.121 1.00 0.00 O ATOM 2046 CB PRO A 638 7.180 10.704 12.818 1.00 0.00 C ATOM 2047 CG PRO A 638 6.806 10.113 14.180 1.00 0.00 C ATOM 2048 CD PRO A 638 6.328 8.709 13.835 1.00 0.00 C ATOM 0 HA PRO A 638 7.410 9.581 10.963 1.00 0.00 H new ATOM 0 HB2 PRO A 638 7.954 11.466 12.912 1.00 0.00 H new ATOM 0 HB3 PRO A 638 6.323 11.178 12.339 1.00 0.00 H new ATOM 0 HG2 PRO A 638 7.660 10.092 14.857 1.00 0.00 H new ATOM 0 HG3 PRO A 638 6.025 10.695 14.670 1.00 0.00 H new ATOM 0 HD2 PRO A 638 6.545 8.011 14.644 1.00 0.00 H new ATOM 0 HD3 PRO A 638 5.250 8.689 13.677 1.00 0.00 H new ATOM 2056 N ASP A 639 9.768 8.763 13.058 1.00 0.00 N ATOM 2057 CA ASP A 639 11.223 8.787 13.236 1.00 0.00 C ATOM 2058 C ASP A 639 11.960 7.857 12.284 1.00 0.00 C ATOM 2059 O ASP A 639 13.172 7.938 12.095 1.00 0.00 O ATOM 2060 CB ASP A 639 11.568 8.401 14.671 1.00 0.00 C ATOM 2061 CG ASP A 639 12.888 9.049 15.051 1.00 0.00 C ATOM 2062 OD1 ASP A 639 12.922 10.293 14.947 1.00 0.00 O ATOM 2063 OD2 ASP A 639 13.855 8.327 15.382 1.00 0.00 O ATOM 0 H ASP A 639 9.262 8.227 13.763 1.00 0.00 H new ATOM 0 HA ASP A 639 11.548 9.803 13.013 1.00 0.00 H new ATOM 0 HB2 ASP A 639 10.779 8.727 15.349 1.00 0.00 H new ATOM 0 HB3 ASP A 639 11.640 7.317 14.763 1.00 0.00 H new ATOM 2068 N ALA A 640 11.176 6.982 11.674 1.00 0.00 N ATOM 2069 CA ALA A 640 11.566 6.033 10.667 1.00 0.00 C ATOM 2070 C ALA A 640 11.558 6.691 9.294 1.00 0.00 C ATOM 2071 O ALA A 640 12.286 6.198 8.451 1.00 0.00 O ATOM 2072 CB ALA A 640 10.640 4.812 10.703 1.00 0.00 C ATOM 0 H ALA A 640 10.182 6.920 11.892 1.00 0.00 H new ATOM 0 HA ALA A 640 12.581 5.692 10.872 1.00 0.00 H new ATOM 0 HB1 ALA A 640 10.946 4.101 9.936 1.00 0.00 H new ATOM 0 HB2 ALA A 640 10.701 4.338 11.683 1.00 0.00 H new ATOM 0 HB3 ALA A 640 9.614 5.128 10.516 1.00 0.00 H new ATOM 2078 N VAL A 641 10.824 7.791 9.054 1.00 0.00 N ATOM 2079 CA VAL A 641 10.867 8.500 7.766 1.00 0.00 C ATOM 2080 C VAL A 641 12.305 8.923 7.488 1.00 0.00 C ATOM 2081 O VAL A 641 12.790 8.763 6.370 1.00 0.00 O ATOM 2082 CB VAL A 641 9.923 9.726 7.767 1.00 0.00 C ATOM 2083 CG1 VAL A 641 10.014 10.563 6.479 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.470 9.283 7.910 1.00 0.00 C ATOM 0 H VAL A 641 10.193 8.208 9.738 1.00 0.00 H new ATOM 0 HA VAL A 641 10.521 7.832 6.977 1.00 0.00 H new ATOM 0 HB VAL A 641 10.244 10.337 8.611 1.00 0.00 H new ATOM 0 HG11 VAL A 641 9.327 11.407 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 641 11.032 10.932 6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 641 9.747 9.943 5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 641 7.821 10.159 7.909 1.00 0.00 H new ATOM 0 HG22 VAL A 641 8.204 8.633 7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.346 8.740 8.847 1.00 0.00 H new ATOM 2094 N THR A 642 12.992 9.380 8.533 1.00 0.00 N ATOM 2095 CA THR A 642 14.362 9.805 8.535 1.00 0.00 C ATOM 2096 C THR A 642 15.184 8.609 8.086 1.00 0.00 C ATOM 2097 O THR A 642 15.777 8.665 7.007 1.00 0.00 O ATOM 2098 CB THR A 642 14.654 10.262 9.979 1.00 0.00 C ATOM 2099 OG1 THR A 642 13.903 11.426 10.277 1.00 0.00 O ATOM 2100 CG2 THR A 642 16.130 10.570 10.234 1.00 0.00 C ATOM 0 H THR A 642 12.564 9.463 9.455 1.00 0.00 H new ATOM 0 HA THR A 642 14.598 10.631 7.864 1.00 0.00 H new ATOM 0 HB THR A 642 14.372 9.428 10.621 1.00 0.00 H new ATOM 0 HG1 THR A 642 14.091 11.710 11.196 1.00 0.00 H new ATOM 0 HG21 THR A 642 16.262 10.885 11.269 1.00 0.00 H new ATOM 0 HG22 THR A 642 16.726 9.676 10.048 1.00 0.00 H new ATOM 0 HG23 THR A 642 16.456 11.368 9.567 1.00 0.00 H new ATOM 2108 N THR A 643 15.151 7.516 8.858 1.00 0.00 N ATOM 2109 CA THR A 643 15.990 6.367 8.594 1.00 0.00 C ATOM 2110 C THR A 643 15.787 5.853 7.176 1.00 0.00 C ATOM 2111 O THR A 643 16.725 5.524 6.453 1.00 0.00 O ATOM 2112 CB THR A 643 15.715 5.227 9.593 1.00 0.00 C ATOM 2113 OG1 THR A 643 15.164 5.696 10.815 1.00 0.00 O ATOM 2114 CG2 THR A 643 17.029 4.527 9.924 1.00 0.00 C ATOM 0 H THR A 643 14.545 7.414 9.672 1.00 0.00 H new ATOM 0 HA THR A 643 17.023 6.696 8.711 1.00 0.00 H new ATOM 0 HB THR A 643 14.998 4.555 9.121 1.00 0.00 H new ATOM 0 HG1 THR A 643 15.006 4.937 11.415 1.00 0.00 H new ATOM 0 HG21 THR A 643 16.843 3.719 10.631 1.00 0.00 H new ATOM 0 HG22 THR A 643 17.463 4.118 9.012 1.00 0.00 H new ATOM 0 HG23 THR A 643 17.721 5.243 10.366 1.00 0.00 H new ATOM 2122 N TYR A 644 14.516 5.779 6.809 1.00 0.00 N ATOM 2123 CA TYR A 644 14.038 5.183 5.599 1.00 0.00 C ATOM 2124 C TYR A 644 14.566 5.941 4.392 1.00 0.00 C ATOM 2125 O TYR A 644 15.228 5.341 3.545 1.00 0.00 O ATOM 2126 CB TYR A 644 12.513 5.109 5.684 1.00 0.00 C ATOM 2127 CG TYR A 644 11.900 4.280 4.604 1.00 0.00 C ATOM 2128 CD1 TYR A 644 11.682 4.788 3.316 1.00 0.00 C ATOM 2129 CD2 TYR A 644 11.599 2.952 4.910 1.00 0.00 C ATOM 2130 CE1 TYR A 644 11.152 3.948 2.332 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.165 2.078 3.912 1.00 0.00 C ATOM 2132 CZ TYR A 644 10.916 2.590 2.622 1.00 0.00 C ATOM 2133 OH TYR A 644 10.379 1.795 1.672 1.00 0.00 O ATOM 0 H TYR A 644 13.763 6.156 7.385 1.00 0.00 H new ATOM 0 HA TYR A 644 14.409 4.166 5.473 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.230 4.698 6.653 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.104 6.118 5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 644 11.921 5.816 3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 644 11.703 2.598 5.925 1.00 0.00 H new ATOM 0 HE1 TYR A 644 10.924 4.340 1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.022 1.029 4.124 1.00 0.00 H new ATOM 0 HH TYR A 644 9.410 1.737 1.803 1.00 0.00 H new ATOM 2143 N ASN A 645 14.355 7.260 4.333 1.00 0.00 N ATOM 2144 CA ASN A 645 14.953 8.089 3.308 1.00 0.00 C ATOM 2145 C ASN A 645 16.464 7.965 3.295 1.00 0.00 C ATOM 2146 O ASN A 645 17.062 7.974 2.222 1.00 0.00 O ATOM 2147 CB ASN A 645 14.626 9.558 3.603 1.00 0.00 C ATOM 2148 CG ASN A 645 14.055 10.205 2.372 1.00 0.00 C ATOM 2149 OD1 ASN A 645 14.688 10.284 1.319 1.00 0.00 O ATOM 2150 ND2 ASN A 645 12.821 10.638 2.507 1.00 0.00 N ATOM 0 H ASN A 645 13.768 7.770 4.993 1.00 0.00 H new ATOM 0 HA ASN A 645 14.554 7.762 2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 645 13.913 9.624 4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 645 15.526 10.085 3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 645 12.341 11.065 1.715 1.00 0.00 H new ATOM 0 HD22 ASN A 645 12.344 10.547 3.404 1.00 0.00 H new ATOM 2157 N GLY A 646 17.068 7.847 4.476 1.00 0.00 N ATOM 2158 CA GLY A 646 18.480 7.602 4.662 1.00 0.00 C ATOM 2159 C GLY A 646 18.939 6.438 3.790 1.00 0.00 C ATOM 2160 O GLY A 646 19.851 6.597 2.975 1.00 0.00 O ATOM 0 H GLY A 646 16.560 7.924 5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 646 19.047 8.498 4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 646 18.682 7.381 5.710 1.00 0.00 H new ATOM 2164 N TYR A 647 18.304 5.271 3.918 1.00 0.00 N ATOM 2165 CA TYR A 647 18.615 4.101 3.097 1.00 0.00 C ATOM 2166 C TYR A 647 18.344 4.375 1.616 1.00 0.00 C ATOM 2167 O TYR A 647 19.137 3.977 0.766 1.00 0.00 O ATOM 2168 CB TYR A 647 17.794 2.884 3.552 1.00 0.00 C ATOM 2169 CG TYR A 647 17.974 2.502 5.007 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.247 2.151 5.496 1.00 0.00 C ATOM 2171 CD2 TYR A 647 16.875 2.514 5.884 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.428 1.859 6.859 1.00 0.00 C ATOM 2173 CE2 TYR A 647 17.041 2.230 7.241 1.00 0.00 C ATOM 2174 CZ TYR A 647 18.325 1.921 7.739 1.00 0.00 C ATOM 2175 OH TYR A 647 18.492 1.708 9.071 1.00 0.00 O ATOM 0 H TYR A 647 17.558 5.111 4.595 1.00 0.00 H new ATOM 0 HA TYR A 647 19.676 3.886 3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 647 16.738 3.088 3.373 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.063 2.030 2.931 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.088 2.106 4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 647 15.891 2.746 5.504 1.00 0.00 H new ATOM 0 HE1 TYR A 647 20.405 1.589 7.231 1.00 0.00 H new ATOM 0 HE2 TYR A 647 16.191 2.247 7.907 1.00 0.00 H new ATOM 0 HH TYR A 647 17.628 1.790 9.526 1.00 0.00 H new ATOM 2185 N LEU A 648 17.229 5.044 1.304 1.00 0.00 N ATOM 2186 CA LEU A 648 16.774 5.257 -0.072 1.00 0.00 C ATOM 2187 C LEU A 648 17.689 6.206 -0.831 1.00 0.00 C ATOM 2188 O LEU A 648 17.771 6.129 -2.057 1.00 0.00 O ATOM 2189 CB LEU A 648 15.325 5.786 -0.122 1.00 0.00 C ATOM 2190 CG LEU A 648 14.209 4.813 0.325 1.00 0.00 C ATOM 2191 CD1 LEU A 648 12.878 5.013 -0.416 1.00 0.00 C ATOM 2192 CD2 LEU A 648 14.566 3.348 0.123 1.00 0.00 C ATOM 0 H LEU A 648 16.613 5.456 2.005 1.00 0.00 H new ATOM 0 HA LEU A 648 16.806 4.281 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 648 15.268 6.678 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 648 15.113 6.099 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 648 14.104 5.051 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 648 12.145 4.295 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 648 12.513 6.025 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 648 13.030 4.861 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 648 13.739 2.722 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 648 14.757 3.162 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 648 15.459 3.108 0.700 1.00 0.00 H new ATOM 2204 N THR A 649 18.348 7.097 -0.098 1.00 0.00 N ATOM 2205 CA THR A 649 19.272 8.079 -0.626 1.00 0.00 C ATOM 2206 C THR A 649 20.679 7.490 -0.770 1.00 0.00 C ATOM 2207 O THR A 649 21.401 7.882 -1.685 1.00 0.00 O ATOM 2208 CB THR A 649 19.266 9.306 0.303 1.00 0.00 C ATOM 2209 OG1 THR A 649 17.943 9.789 0.470 1.00 0.00 O ATOM 2210 CG2 THR A 649 20.108 10.471 -0.222 1.00 0.00 C ATOM 0 H THR A 649 18.246 7.152 0.915 1.00 0.00 H new ATOM 0 HA THR A 649 18.956 8.382 -1.624 1.00 0.00 H new ATOM 0 HB THR A 649 19.696 8.960 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 649 17.448 9.189 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 649 20.059 11.302 0.482 1.00 0.00 H new ATOM 0 HG22 THR A 649 21.144 10.150 -0.333 1.00 0.00 H new ATOM 0 HG23 THR A 649 19.722 10.792 -1.190 1.00 0.00 H new