USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 512 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 66 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.8!) USER MOD Set 2.2: A 83 GLN : amide:sc= 0 X(o=-0.26,f=-0.3) USER MOD Single : A 30 GLN : amide:sc= -0.421 K(o=-0.42,f=-3.1!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.113 K(o=-0.11,f=-1) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.38) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= 0.18 (180deg=0.112) USER MOD Single : A 43 MET CE :methyl -157:sc= -0.109 (180deg=-0.54) USER MOD Single : A 44 THR OG1 : rot 70:sc= 0.703 USER MOD Single : A 45 ASN : amide:sc= 0.686 K(o=0.69,f=-3.6!) USER MOD Single : A 46 MET CE :methyl -145:sc= -0.0616 (180deg=-0.709) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0136) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -0.0227 (180deg=-0.23) USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00588) USER MOD Single : A 57 LYS NZ :NH3+ -153:sc= -0.0251 (180deg=-0.851) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.31) USER MOD Single : A 64 HIS : no HD1:sc= -4.44! K(o=-4.4!,f=-1.9) USER MOD Single : A 65 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.55! C(o=-2.5!,f=-5.5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0752 USER MOD Single : A 81 GLN : amide:sc= -0.0777 K(o=-0.078,f=-1.4) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -2.44 K(o=-2.4,f=-3.2) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 7.062 8.155 3.549 1.00 0.00 N ATOM 398 CA GLU A 28 5.878 8.906 3.950 1.00 0.00 C ATOM 399 C GLU A 28 4.959 9.151 2.757 1.00 0.00 C ATOM 400 O GLU A 28 5.265 9.959 1.880 1.00 0.00 O ATOM 401 CB GLU A 28 6.283 10.242 4.578 1.00 0.00 C ATOM 402 CG GLU A 28 5.177 10.891 5.394 1.00 0.00 C ATOM 403 CD GLU A 28 4.788 10.069 6.607 1.00 0.00 C ATOM 404 OE1 GLU A 28 4.180 8.994 6.426 1.00 0.00 O ATOM 405 OE2 GLU A 28 5.093 10.502 7.738 1.00 0.00 O ATOM 0 HA GLU A 28 5.337 8.314 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.151 10.085 5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.590 10.927 3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.502 11.879 5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.301 11.036 4.762 1.00 0.00 H new ATOM 412 N TRP A 29 3.833 8.447 2.731 1.00 0.00 N ATOM 413 CA TRP A 29 2.870 8.586 1.645 1.00 0.00 C ATOM 414 C TRP A 29 1.777 9.585 2.012 1.00 0.00 C ATOM 415 O TRP A 29 1.078 9.413 3.009 1.00 0.00 O ATOM 416 CB TRP A 29 2.246 7.230 1.311 1.00 0.00 C ATOM 417 CG TRP A 29 3.161 6.331 0.536 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.220 5.620 1.024 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.099 6.049 -0.867 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.819 4.913 0.010 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.150 5.158 -1.159 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.257 6.460 -1.903 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.380 4.675 -2.445 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.486 5.979 -3.178 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.540 5.094 -3.440 1.00 0.00 C ATOM 0 H TRP A 29 3.565 7.774 3.449 1.00 0.00 H new ATOM 0 HA TRP A 29 3.400 8.960 0.769 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.958 6.733 2.237 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.333 7.389 0.737 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.540 5.614 2.056 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.631 4.304 0.112 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.442 7.142 -1.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.193 3.994 -2.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.841 6.291 -3.987 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.692 4.736 -4.447 1.00 0.00 H new ATOM 436 N GLN A 30 1.637 10.627 1.199 1.00 0.00 N ATOM 437 CA GLN A 30 0.629 11.653 1.440 1.00 0.00 C ATOM 438 C GLN A 30 -0.247 11.855 0.208 1.00 0.00 C ATOM 439 O GLN A 30 0.202 11.671 -0.923 1.00 0.00 O ATOM 440 CB GLN A 30 1.298 12.974 1.827 1.00 0.00 C ATOM 441 CG GLN A 30 2.281 12.843 2.978 1.00 0.00 C ATOM 442 CD GLN A 30 2.744 14.187 3.505 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.995 14.895 4.179 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.986 14.547 3.201 1.00 0.00 N ATOM 0 H GLN A 30 2.208 10.783 0.368 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.004 11.319 2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.820 13.376 0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.528 13.696 2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.815 12.281 3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.147 12.268 2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.573 13.930 2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.353 15.441 3.529 1.00 0.00 H new ATOM 453 N TYR A 31 -1.500 12.233 0.436 1.00 0.00 N ATOM 454 CA TYR A 31 -2.441 12.457 -0.655 1.00 0.00 C ATOM 455 C TYR A 31 -2.919 13.906 -0.673 1.00 0.00 C ATOM 456 O TYR A 31 -3.146 14.509 0.376 1.00 0.00 O ATOM 457 CB TYR A 31 -3.639 11.515 -0.525 1.00 0.00 C ATOM 458 CG TYR A 31 -4.470 11.760 0.713 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.035 11.333 1.962 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.692 12.417 0.635 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.792 11.554 3.096 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.455 12.643 1.764 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.001 12.210 2.992 1.00 0.00 C ATOM 464 OH TYR A 31 -6.758 12.432 4.120 1.00 0.00 O ATOM 0 H TYR A 31 -1.887 12.391 1.366 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.926 12.251 -1.593 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.273 11.623 -1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.281 10.485 -0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.089 10.820 2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.051 12.757 -0.325 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.439 11.215 4.059 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.402 13.156 1.685 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.579 12.907 3.874 1.00 0.00 H new ATOM 474 N ILE A 32 -3.071 14.457 -1.873 1.00 0.00 N ATOM 475 CA ILE A 32 -3.524 15.834 -2.029 1.00 0.00 C ATOM 476 C ILE A 32 -5.026 15.893 -2.282 1.00 0.00 C ATOM 477 O ILE A 32 -5.501 15.510 -3.352 1.00 0.00 O ATOM 478 CB ILE A 32 -2.791 16.539 -3.185 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.382 16.949 -2.752 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.582 17.753 -3.651 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.329 15.907 -3.057 1.00 0.00 C ATOM 0 H ILE A 32 -2.887 13.971 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.295 16.350 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.705 15.842 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.114 17.881 -3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.384 17.149 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.051 18.241 -4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.566 17.436 -3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.696 18.453 -2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.645 16.265 -2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.573 14.980 -2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.299 15.723 -4.131 1.00 0.00 H new ATOM 493 N ASP A 33 -5.769 16.376 -1.293 1.00 0.00 N ATOM 494 CA ASP A 33 -7.218 16.488 -1.408 1.00 0.00 C ATOM 495 C ASP A 33 -7.602 17.677 -2.284 1.00 0.00 C ATOM 496 O ASP A 33 -6.767 18.524 -2.601 1.00 0.00 O ATOM 497 CB ASP A 33 -7.852 16.633 -0.024 1.00 0.00 C ATOM 498 CG ASP A 33 -9.366 16.686 -0.084 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.916 17.800 -0.207 1.00 0.00 O ATOM 500 OD2 ASP A 33 -10.001 15.613 -0.006 1.00 0.00 O ATOM 0 H ASP A 33 -5.391 16.697 -0.401 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.592 15.578 -1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.545 15.796 0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.478 17.540 0.451 1.00 0.00 H new ATOM 505 N LYS A 34 -8.872 17.733 -2.673 1.00 0.00 N ATOM 506 CA LYS A 34 -9.368 18.817 -3.512 1.00 0.00 C ATOM 507 C LYS A 34 -8.585 20.102 -3.262 1.00 0.00 C ATOM 508 O LYS A 34 -7.770 20.513 -4.086 1.00 0.00 O ATOM 509 CB LYS A 34 -10.857 19.055 -3.245 1.00 0.00 C ATOM 510 CG LYS A 34 -11.722 17.832 -3.495 1.00 0.00 C ATOM 511 CD LYS A 34 -12.260 17.810 -4.916 1.00 0.00 C ATOM 512 CE LYS A 34 -13.526 16.973 -5.020 1.00 0.00 C ATOM 513 NZ LYS A 34 -14.042 16.919 -6.416 1.00 0.00 N ATOM 0 H LYS A 34 -9.576 17.040 -2.420 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.233 18.527 -4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.986 19.376 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.205 19.872 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.139 16.929 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.553 17.823 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.468 18.829 -5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.501 17.408 -5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.322 15.961 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.292 17.390 -4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.905 16.339 -6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.260 17.882 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.321 16.498 -7.036 1.00 0.00 H new ATOM 527 N ASN A 35 -8.836 20.729 -2.117 1.00 0.00 N ATOM 528 CA ASN A 35 -8.153 21.967 -1.759 1.00 0.00 C ATOM 529 C ASN A 35 -7.375 21.801 -0.457 1.00 0.00 C ATOM 530 O ASN A 35 -7.003 22.784 0.185 1.00 0.00 O ATOM 531 CB ASN A 35 -9.162 23.109 -1.621 1.00 0.00 C ATOM 532 CG ASN A 35 -8.523 24.471 -1.813 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.641 24.642 -2.655 1.00 0.00 O ATOM 534 ND2 ASN A 35 -8.965 25.448 -1.029 1.00 0.00 N ATOM 0 H ASN A 35 -9.506 20.401 -1.422 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.448 22.208 -2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.958 22.978 -2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.625 23.064 -0.635 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.572 26.385 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.698 25.261 -0.345 1.00 0.00 H new ATOM 541 N ILE A 36 -7.132 20.552 -0.074 1.00 0.00 N ATOM 542 CA ILE A 36 -6.397 20.258 1.149 1.00 0.00 C ATOM 543 C ILE A 36 -5.309 19.219 0.900 1.00 0.00 C ATOM 544 O ILE A 36 -5.409 18.406 -0.019 1.00 0.00 O ATOM 545 CB ILE A 36 -7.334 19.747 2.260 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.476 20.738 2.490 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.555 19.519 3.547 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.650 20.535 1.558 1.00 0.00 C ATOM 0 H ILE A 36 -7.434 19.728 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.937 21.192 1.473 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.762 18.796 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.821 20.649 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.096 21.752 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.231 19.158 4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.774 18.779 3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.101 20.456 3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.422 21.273 1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.320 20.653 0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.056 19.533 1.697 1.00 0.00 H new ATOM 560 N THR A 37 -4.268 19.250 1.728 1.00 0.00 N ATOM 561 CA THR A 37 -3.161 18.312 1.598 1.00 0.00 C ATOM 562 C THR A 37 -2.950 17.528 2.889 1.00 0.00 C ATOM 563 O THR A 37 -2.314 18.015 3.823 1.00 0.00 O ATOM 564 CB THR A 37 -1.852 19.035 1.230 1.00 0.00 C ATOM 565 OG1 THR A 37 -2.077 19.930 0.136 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.767 18.035 0.858 1.00 0.00 C ATOM 0 H THR A 37 -4.170 19.915 2.495 1.00 0.00 H new ATOM 0 HA THR A 37 -3.424 17.622 0.796 1.00 0.00 H new ATOM 0 HB THR A 37 -1.520 19.601 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.240 20.387 -0.090 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.148 18.569 0.602 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.577 17.374 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.094 17.445 0.002 1.00 0.00 H new ATOM 574 N GLN A 38 -3.488 16.314 2.933 1.00 0.00 N ATOM 575 CA GLN A 38 -3.358 15.464 4.111 1.00 0.00 C ATOM 576 C GLN A 38 -2.453 14.271 3.824 1.00 0.00 C ATOM 577 O GLN A 38 -1.972 14.099 2.703 1.00 0.00 O ATOM 578 CB GLN A 38 -4.734 14.977 4.569 1.00 0.00 C ATOM 579 CG GLN A 38 -5.598 16.073 5.170 1.00 0.00 C ATOM 580 CD GLN A 38 -4.866 16.883 6.222 1.00 0.00 C ATOM 581 OE1 GLN A 38 -4.551 16.380 7.301 1.00 0.00 O ATOM 582 NE2 GLN A 38 -4.590 18.144 5.912 1.00 0.00 N ATOM 0 H GLN A 38 -4.018 15.897 2.168 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.907 16.056 4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.257 14.539 3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.603 14.184 5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.938 16.738 4.376 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.487 15.626 5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.870 18.519 5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.098 18.737 6.580 1.00 0.00 H new ATOM 591 N CYS A 39 -2.224 13.449 4.842 1.00 0.00 N ATOM 592 CA CYS A 39 -1.375 12.272 4.700 1.00 0.00 C ATOM 593 C CYS A 39 -2.080 11.026 5.225 1.00 0.00 C ATOM 594 O CYS A 39 -2.955 11.112 6.087 1.00 0.00 O ATOM 595 CB CYS A 39 -0.054 12.477 5.443 1.00 0.00 C ATOM 596 SG CYS A 39 -0.229 12.606 7.238 1.00 0.00 S ATOM 0 H CYS A 39 -2.615 13.576 5.775 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.168 12.130 3.639 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.613 11.646 5.213 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.424 13.383 5.069 1.00 0.00 H new ATOM 0 HG CYS A 39 0.942 12.775 7.777 1.00 0.00 H new ATOM 602 N PHE A 40 -1.694 9.868 4.700 1.00 0.00 N ATOM 603 CA PHE A 40 -2.291 8.604 5.114 1.00 0.00 C ATOM 604 C PHE A 40 -1.840 8.225 6.522 1.00 0.00 C ATOM 605 O PHE A 40 -0.971 8.874 7.103 1.00 0.00 O ATOM 606 CB PHE A 40 -1.918 7.493 4.131 1.00 0.00 C ATOM 607 CG PHE A 40 -2.491 7.691 2.756 1.00 0.00 C ATOM 608 CD1 PHE A 40 -1.804 8.427 1.805 1.00 0.00 C ATOM 609 CD2 PHE A 40 -3.717 7.141 2.417 1.00 0.00 C ATOM 610 CE1 PHE A 40 -2.329 8.612 0.539 1.00 0.00 C ATOM 611 CE2 PHE A 40 -4.246 7.322 1.153 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.552 8.059 0.213 1.00 0.00 C ATOM 0 H PHE A 40 -0.970 9.779 3.987 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.374 8.727 5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.832 7.433 4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.264 6.538 4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.847 8.861 2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.265 6.565 3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.783 9.188 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -5.202 6.887 0.900 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.965 8.202 -0.775 1.00 0.00 H new ATOM 622 N ASP A 41 -2.439 7.170 7.064 1.00 0.00 N ATOM 623 CA ASP A 41 -2.100 6.703 8.403 1.00 0.00 C ATOM 624 C ASP A 41 -0.844 5.838 8.375 1.00 0.00 C ATOM 625 O ASP A 41 -0.249 5.622 7.319 1.00 0.00 O ATOM 626 CB ASP A 41 -3.265 5.914 9.002 1.00 0.00 C ATOM 627 CG ASP A 41 -3.988 5.075 7.966 1.00 0.00 C ATOM 628 OD1 ASP A 41 -4.563 5.660 7.024 1.00 0.00 O ATOM 629 OD2 ASP A 41 -3.979 3.833 8.098 1.00 0.00 O ATOM 0 H ASP A 41 -3.162 6.622 6.597 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.905 7.575 9.026 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.892 5.266 9.795 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.971 6.606 9.462 1.00 0.00 H new ATOM 634 N LYS A 42 -0.445 5.345 9.543 1.00 0.00 N ATOM 635 CA LYS A 42 0.740 4.503 9.654 1.00 0.00 C ATOM 636 C LYS A 42 0.492 3.131 9.036 1.00 0.00 C ATOM 637 O LYS A 42 1.390 2.536 8.441 1.00 0.00 O ATOM 638 CB LYS A 42 1.145 4.348 11.122 1.00 0.00 C ATOM 639 CG LYS A 42 0.138 3.570 11.951 1.00 0.00 C ATOM 640 CD LYS A 42 0.650 3.321 13.360 1.00 0.00 C ATOM 641 CE LYS A 42 -0.489 3.018 14.322 1.00 0.00 C ATOM 642 NZ LYS A 42 -0.986 1.622 14.171 1.00 0.00 N ATOM 0 H LYS A 42 -0.926 5.514 10.427 1.00 0.00 H new ATOM 0 HA LYS A 42 1.551 4.986 9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.111 3.845 11.173 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.277 5.337 11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.801 4.122 11.996 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.075 2.617 11.466 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.352 2.487 13.351 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.199 4.196 13.709 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.151 3.174 15.346 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.308 3.716 14.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.929 1.541 14.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.045 1.382 13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.332 0.967 14.645 1.00 0.00 H new ATOM 656 N MET A 43 -0.732 2.634 9.180 1.00 0.00 N ATOM 657 CA MET A 43 -1.098 1.333 8.634 1.00 0.00 C ATOM 658 C MET A 43 -1.217 1.396 7.114 1.00 0.00 C ATOM 659 O MET A 43 -0.710 0.526 6.405 1.00 0.00 O ATOM 660 CB MET A 43 -2.418 0.854 9.240 1.00 0.00 C ATOM 661 CG MET A 43 -2.449 0.921 10.759 1.00 0.00 C ATOM 662 SD MET A 43 -1.686 -0.517 11.534 1.00 0.00 S ATOM 663 CE MET A 43 -2.880 -1.791 11.133 1.00 0.00 C ATOM 0 H MET A 43 -1.487 3.113 9.670 1.00 0.00 H new ATOM 0 HA MET A 43 -0.310 0.625 8.891 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.232 1.459 8.841 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.601 -0.174 8.926 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.934 1.823 11.089 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.483 1.004 11.094 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.792 -2.610 11.847 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.886 -1.375 11.181 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.690 -2.164 10.127 1.00 0.00 H new ATOM 673 N THR A 44 -1.890 2.430 6.619 1.00 0.00 N ATOM 674 CA THR A 44 -2.076 2.605 5.184 1.00 0.00 C ATOM 675 C THR A 44 -0.791 3.082 4.517 1.00 0.00 C ATOM 676 O THR A 44 -0.458 2.654 3.413 1.00 0.00 O ATOM 677 CB THR A 44 -3.201 3.612 4.883 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.450 3.113 5.376 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.308 3.872 3.388 1.00 0.00 C ATOM 0 H THR A 44 -2.316 3.159 7.191 1.00 0.00 H new ATOM 0 HA THR A 44 -2.352 1.631 4.780 1.00 0.00 H new ATOM 0 HB THR A 44 -2.962 4.551 5.383 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.445 3.131 6.356 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.109 4.586 3.199 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.366 4.279 3.021 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.526 2.938 2.871 1.00 0.00 H new ATOM 687 N ASN A 45 -0.071 3.969 5.196 1.00 0.00 N ATOM 688 CA ASN A 45 1.179 4.504 4.669 1.00 0.00 C ATOM 689 C ASN A 45 1.991 3.411 3.981 1.00 0.00 C ATOM 690 O ASN A 45 2.594 3.638 2.932 1.00 0.00 O ATOM 691 CB ASN A 45 2.002 5.136 5.793 1.00 0.00 C ATOM 692 CG ASN A 45 3.432 5.420 5.373 1.00 0.00 C ATOM 693 OD1 ASN A 45 3.674 6.103 4.377 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.386 4.896 6.132 1.00 0.00 N ATOM 0 H ASN A 45 -0.332 4.333 6.113 1.00 0.00 H new ATOM 0 HA ASN A 45 0.936 5.269 3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.528 6.065 6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.005 4.470 6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.367 5.053 5.899 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.139 4.336 6.948 1.00 0.00 H new ATOM 701 N MET A 46 2.002 2.224 4.579 1.00 0.00 N ATOM 702 CA MET A 46 2.738 1.095 4.023 1.00 0.00 C ATOM 703 C MET A 46 1.936 0.412 2.920 1.00 0.00 C ATOM 704 O MET A 46 2.488 0.003 1.899 1.00 0.00 O ATOM 705 CB MET A 46 3.075 0.087 5.124 1.00 0.00 C ATOM 706 CG MET A 46 1.999 -0.966 5.333 1.00 0.00 C ATOM 707 SD MET A 46 2.360 -2.063 6.718 1.00 0.00 S ATOM 708 CE MET A 46 1.736 -1.094 8.089 1.00 0.00 C ATOM 0 H MET A 46 1.510 2.019 5.448 1.00 0.00 H new ATOM 0 HA MET A 46 3.664 1.475 3.591 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.014 -0.409 4.877 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.234 0.623 6.060 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.042 -0.473 5.505 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.894 -1.558 4.424 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.366 -1.254 8.964 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.746 -0.037 7.822 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.715 -1.401 8.316 1.00 0.00 H new ATOM 718 N LYS A 47 0.629 0.293 3.133 1.00 0.00 N ATOM 719 CA LYS A 47 -0.250 -0.339 2.157 1.00 0.00 C ATOM 720 C LYS A 47 0.009 0.207 0.756 1.00 0.00 C ATOM 721 O LYS A 47 -0.192 -0.489 -0.240 1.00 0.00 O ATOM 722 CB LYS A 47 -1.715 -0.115 2.539 1.00 0.00 C ATOM 723 CG LYS A 47 -2.238 -1.117 3.555 1.00 0.00 C ATOM 724 CD LYS A 47 -3.730 -0.946 3.789 1.00 0.00 C ATOM 725 CE LYS A 47 -4.213 -1.803 4.949 1.00 0.00 C ATOM 726 NZ LYS A 47 -4.276 -3.245 4.585 1.00 0.00 N ATOM 0 H LYS A 47 0.156 0.626 3.973 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.040 -1.409 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.827 0.891 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.329 -0.168 1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.037 -2.130 3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.704 -0.993 4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.950 0.102 3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.275 -1.216 2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.545 -1.672 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.200 -1.465 5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.610 -3.795 5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.933 -3.374 3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.329 -3.575 4.309 1.00 0.00 H new ATOM 740 N LEU A 48 0.458 1.455 0.687 1.00 0.00 N ATOM 741 CA LEU A 48 0.747 2.095 -0.592 1.00 0.00 C ATOM 742 C LEU A 48 2.145 1.728 -1.080 1.00 0.00 C ATOM 743 O LEU A 48 2.305 1.154 -2.157 1.00 0.00 O ATOM 744 CB LEU A 48 0.621 3.614 -0.465 1.00 0.00 C ATOM 745 CG LEU A 48 -0.760 4.143 -0.077 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.696 5.631 0.228 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.768 3.867 -1.183 1.00 0.00 C ATOM 0 H LEU A 48 0.630 2.044 1.502 1.00 0.00 H new ATOM 0 HA LEU A 48 0.021 1.737 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.341 3.957 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.906 4.063 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.086 3.622 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.688 5.989 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.007 5.804 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.347 6.168 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.745 4.251 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.446 4.360 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.836 2.793 -1.353 1.00 0.00 H new ATOM 759 N GLU A 49 3.152 2.062 -0.280 1.00 0.00 N ATOM 760 CA GLU A 49 4.536 1.766 -0.632 1.00 0.00 C ATOM 761 C GLU A 49 4.686 0.315 -1.079 1.00 0.00 C ATOM 762 O GLU A 49 5.281 0.032 -2.118 1.00 0.00 O ATOM 763 CB GLU A 49 5.458 2.043 0.558 1.00 0.00 C ATOM 764 CG GLU A 49 5.660 0.839 1.464 1.00 0.00 C ATOM 765 CD GLU A 49 6.656 1.107 2.576 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.855 1.272 2.270 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.236 1.151 3.751 1.00 0.00 O ATOM 0 H GLU A 49 3.036 2.537 0.615 1.00 0.00 H new ATOM 0 HA GLU A 49 4.820 2.414 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.428 2.374 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.044 2.863 1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.703 0.552 1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.005 -0.006 0.868 1.00 0.00 H new ATOM 774 N VAL A 50 4.141 -0.602 -0.285 1.00 0.00 N ATOM 775 CA VAL A 50 4.213 -2.024 -0.598 1.00 0.00 C ATOM 776 C VAL A 50 3.848 -2.285 -2.055 1.00 0.00 C ATOM 777 O VAL A 50 4.520 -3.050 -2.746 1.00 0.00 O ATOM 778 CB VAL A 50 3.279 -2.846 0.310 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.701 -2.720 1.766 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.834 -2.405 0.125 1.00 0.00 C ATOM 0 H VAL A 50 3.645 -0.385 0.579 1.00 0.00 H new ATOM 0 HA VAL A 50 5.243 -2.335 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 50 3.355 -3.895 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.029 -3.308 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.720 -3.088 1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.656 -1.674 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.187 -2.996 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.740 -1.350 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.539 -2.553 -0.914 1.00 0.00 H new ATOM 790 N ALA A 51 2.779 -1.644 -2.515 1.00 0.00 N ATOM 791 CA ALA A 51 2.325 -1.805 -3.891 1.00 0.00 C ATOM 792 C ALA A 51 3.310 -1.176 -4.870 1.00 0.00 C ATOM 793 O ALA A 51 3.505 -1.678 -5.977 1.00 0.00 O ATOM 794 CB ALA A 51 0.942 -1.195 -4.065 1.00 0.00 C ATOM 0 H ALA A 51 2.211 -1.008 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 51 2.269 -2.872 -4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.615 -1.322 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.238 -1.693 -3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.980 -0.132 -3.825 1.00 0.00 H new ATOM 800 N TRP A 52 3.928 -0.076 -4.457 1.00 0.00 N ATOM 801 CA TRP A 52 4.892 0.622 -5.299 1.00 0.00 C ATOM 802 C TRP A 52 6.177 -0.187 -5.441 1.00 0.00 C ATOM 803 O TRP A 52 6.871 -0.098 -6.454 1.00 0.00 O ATOM 804 CB TRP A 52 5.206 2.001 -4.717 1.00 0.00 C ATOM 805 CG TRP A 52 5.963 2.886 -5.660 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.484 3.981 -6.321 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.334 2.749 -6.049 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.474 4.533 -7.097 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.619 3.797 -6.947 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.350 1.846 -5.724 1.00 0.00 C ATOM 811 CZ2 TRP A 52 8.876 3.962 -7.523 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.596 2.011 -6.297 1.00 0.00 C ATOM 813 CH2 TRP A 52 9.851 3.062 -7.187 1.00 0.00 C ATOM 0 H TRP A 52 3.779 0.352 -3.543 1.00 0.00 H new ATOM 0 HA TRP A 52 4.450 0.745 -6.288 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.273 2.491 -4.440 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.785 1.878 -3.802 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.475 4.358 -6.245 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.373 5.357 -7.689 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.164 1.034 -5.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.074 4.771 -8.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.387 1.317 -6.054 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.837 3.164 -7.617 1.00 0.00 H new ATOM 824 N LYS A 53 6.489 -0.978 -4.419 1.00 0.00 N ATOM 825 CA LYS A 53 7.689 -1.805 -4.430 1.00 0.00 C ATOM 826 C LYS A 53 7.418 -3.150 -5.096 1.00 0.00 C ATOM 827 O LYS A 53 8.311 -3.750 -5.693 1.00 0.00 O ATOM 828 CB LYS A 53 8.196 -2.024 -3.003 1.00 0.00 C ATOM 829 CG LYS A 53 8.769 -0.772 -2.362 1.00 0.00 C ATOM 830 CD LYS A 53 10.252 -0.623 -2.659 1.00 0.00 C ATOM 831 CE LYS A 53 10.495 0.326 -3.823 1.00 0.00 C ATOM 832 NZ LYS A 53 11.913 0.296 -4.277 1.00 0.00 N ATOM 0 H LYS A 53 5.926 -1.063 -3.572 1.00 0.00 H new ATOM 0 HA LYS A 53 8.454 -1.283 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.376 -2.394 -2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.962 -2.800 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.234 0.104 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.615 -0.811 -1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.766 -0.252 -1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.678 -1.600 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.842 0.057 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.230 1.341 -3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.061 1.027 -5.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.541 0.478 -3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.129 -0.638 -4.679 1.00 0.00 H new ATOM 846 N ALA A 54 6.178 -3.618 -4.991 1.00 0.00 N ATOM 847 CA ALA A 54 5.788 -4.890 -5.586 1.00 0.00 C ATOM 848 C ALA A 54 5.464 -4.727 -7.067 1.00 0.00 C ATOM 849 O ALA A 54 4.909 -5.629 -7.695 1.00 0.00 O ATOM 850 CB ALA A 54 4.596 -5.476 -4.844 1.00 0.00 C ATOM 0 H ALA A 54 5.426 -3.135 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 54 6.630 -5.577 -5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.315 -6.426 -5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.862 -5.638 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.756 -4.784 -4.901 1.00 0.00 H new ATOM 856 N LYS A 55 5.814 -3.570 -7.620 1.00 0.00 N ATOM 857 CA LYS A 55 5.561 -3.288 -9.028 1.00 0.00 C ATOM 858 C LYS A 55 4.080 -3.442 -9.357 1.00 0.00 C ATOM 859 O LYS A 55 3.718 -3.934 -10.426 1.00 0.00 O ATOM 860 CB LYS A 55 6.390 -4.222 -9.914 1.00 0.00 C ATOM 861 CG LYS A 55 7.888 -4.099 -9.692 1.00 0.00 C ATOM 862 CD LYS A 55 8.667 -4.432 -10.953 1.00 0.00 C ATOM 863 CE LYS A 55 8.670 -5.928 -11.229 1.00 0.00 C ATOM 864 NZ LYS A 55 9.470 -6.676 -10.220 1.00 0.00 N ATOM 0 H LYS A 55 6.274 -2.813 -7.114 1.00 0.00 H new ATOM 0 HA LYS A 55 5.853 -2.256 -9.223 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.087 -5.252 -9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.167 -4.010 -10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.127 -3.085 -9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.194 -4.767 -8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.230 -3.906 -11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.693 -4.078 -10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.645 -6.300 -11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.075 -6.113 -12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.676 -7.630 -10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.363 -6.173 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.931 -6.748 -9.334 1.00 0.00 H new ATOM 878 N LYS A 56 3.226 -3.016 -8.432 1.00 0.00 N ATOM 879 CA LYS A 56 1.783 -3.103 -8.623 1.00 0.00 C ATOM 880 C LYS A 56 1.297 -2.028 -9.589 1.00 0.00 C ATOM 881 O LYS A 56 2.071 -1.178 -10.029 1.00 0.00 O ATOM 882 CB LYS A 56 1.061 -2.964 -7.281 1.00 0.00 C ATOM 883 CG LYS A 56 1.148 -4.206 -6.411 1.00 0.00 C ATOM 884 CD LYS A 56 -0.011 -5.153 -6.674 1.00 0.00 C ATOM 885 CE LYS A 56 -1.194 -4.851 -5.765 1.00 0.00 C ATOM 886 NZ LYS A 56 -0.980 -5.372 -4.386 1.00 0.00 N ATOM 0 H LYS A 56 3.509 -2.607 -7.542 1.00 0.00 H new ATOM 0 HA LYS A 56 1.556 -4.080 -9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.483 -2.119 -6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.012 -2.732 -7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.090 -4.720 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.151 -3.916 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.321 -5.070 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.315 -6.181 -6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.356 -3.774 -5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.097 -5.294 -6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.834 -5.207 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.783 -6.392 -4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.173 -4.881 -3.951 1.00 0.00 H new ATOM 900 N LYS A 57 0.009 -2.070 -9.914 1.00 0.00 N ATOM 901 CA LYS A 57 -0.582 -1.098 -10.826 1.00 0.00 C ATOM 902 C LYS A 57 -1.445 -0.094 -10.066 1.00 0.00 C ATOM 903 O LYS A 57 -1.558 1.066 -10.462 1.00 0.00 O ATOM 904 CB LYS A 57 -1.424 -1.809 -11.887 1.00 0.00 C ATOM 905 CG LYS A 57 -1.588 -1.012 -13.169 1.00 0.00 C ATOM 906 CD LYS A 57 -0.288 -0.943 -13.953 1.00 0.00 C ATOM 907 CE LYS A 57 -0.166 -2.100 -14.933 1.00 0.00 C ATOM 908 NZ LYS A 57 0.475 -3.290 -14.309 1.00 0.00 N ATOM 0 H LYS A 57 -0.646 -2.767 -9.559 1.00 0.00 H new ATOM 0 HA LYS A 57 0.228 -0.558 -11.316 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.962 -2.768 -12.122 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.410 -2.022 -11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.362 -1.469 -13.786 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.924 -0.003 -12.931 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.239 0.001 -14.495 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.556 -0.959 -13.263 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.156 -2.371 -15.300 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.418 -1.784 -15.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.949 -3.854 -15.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.175 -2.978 -13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.251 -3.870 -13.842 1.00 0.00 H new ATOM 922 N ASP A 58 -2.050 -0.548 -8.974 1.00 0.00 N ATOM 923 CA ASP A 58 -2.900 0.310 -8.158 1.00 0.00 C ATOM 924 C ASP A 58 -3.297 -0.391 -6.863 1.00 0.00 C ATOM 925 O ASP A 58 -3.531 -1.600 -6.845 1.00 0.00 O ATOM 926 CB ASP A 58 -4.152 0.715 -8.938 1.00 0.00 C ATOM 927 CG ASP A 58 -4.783 -0.455 -9.667 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.194 -0.921 -10.664 1.00 0.00 O ATOM 929 OD2 ASP A 58 -5.866 -0.905 -9.238 1.00 0.00 O ATOM 0 H ASP A 58 -1.967 -1.506 -8.634 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.333 1.206 -7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.880 1.147 -8.252 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.893 1.491 -9.658 1.00 0.00 H new ATOM 934 N THR A 59 -3.371 0.375 -5.779 1.00 0.00 N ATOM 935 CA THR A 59 -3.737 -0.172 -4.479 1.00 0.00 C ATOM 936 C THR A 59 -4.970 0.526 -3.916 1.00 0.00 C ATOM 937 O THR A 59 -5.041 1.754 -3.885 1.00 0.00 O ATOM 938 CB THR A 59 -2.582 -0.043 -3.469 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.966 -0.608 -2.211 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.191 1.415 -3.278 1.00 0.00 C ATOM 0 H THR A 59 -3.182 1.377 -5.776 1.00 0.00 H new ATOM 0 HA THR A 59 -3.959 -1.228 -4.632 1.00 0.00 H new ATOM 0 HB THR A 59 -1.722 -0.585 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.225 -0.524 -1.575 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.373 1.481 -2.560 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.871 1.834 -4.232 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.048 1.976 -2.905 1.00 0.00 H new ATOM 948 N VAL A 60 -5.941 -0.266 -3.471 1.00 0.00 N ATOM 949 CA VAL A 60 -7.171 0.277 -2.907 1.00 0.00 C ATOM 950 C VAL A 60 -7.003 0.596 -1.426 1.00 0.00 C ATOM 951 O VAL A 60 -6.396 -0.171 -0.679 1.00 0.00 O ATOM 952 CB VAL A 60 -8.347 -0.703 -3.079 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.460 -0.380 -2.093 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.864 -0.670 -4.509 1.00 0.00 C ATOM 0 H VAL A 60 -5.899 -1.285 -3.490 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.390 1.196 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.990 -1.711 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.282 -1.083 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.079 -0.461 -1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.817 0.635 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.694 -1.368 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.205 0.337 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.064 -0.955 -5.192 1.00 0.00 H new ATOM 964 N VAL A 61 -7.544 1.736 -1.007 1.00 0.00 N ATOM 965 CA VAL A 61 -7.455 2.157 0.386 1.00 0.00 C ATOM 966 C VAL A 61 -8.719 2.892 0.819 1.00 0.00 C ATOM 967 O VAL A 61 -9.438 3.451 -0.009 1.00 0.00 O ATOM 968 CB VAL A 61 -6.238 3.071 0.619 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.944 2.313 0.364 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.323 4.308 -0.263 1.00 0.00 C ATOM 0 H VAL A 61 -8.048 2.384 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.341 1.253 0.984 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.243 3.394 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.095 2.975 0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.881 1.462 1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.927 1.958 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.455 4.942 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.344 4.007 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.231 4.862 -0.026 1.00 0.00 H new ATOM 980 N GLN A 62 -8.982 2.888 2.122 1.00 0.00 N ATOM 981 CA GLN A 62 -10.159 3.555 2.665 1.00 0.00 C ATOM 982 C GLN A 62 -9.881 5.033 2.917 1.00 0.00 C ATOM 983 O GLN A 62 -9.112 5.385 3.812 1.00 0.00 O ATOM 984 CB GLN A 62 -10.601 2.878 3.964 1.00 0.00 C ATOM 985 CG GLN A 62 -11.158 1.478 3.762 1.00 0.00 C ATOM 986 CD GLN A 62 -10.070 0.429 3.645 1.00 0.00 C ATOM 987 OE1 GLN A 62 -9.224 0.294 4.530 1.00 0.00 O ATOM 988 NE2 GLN A 62 -10.086 -0.321 2.549 1.00 0.00 N ATOM 0 H GLN A 62 -8.396 2.431 2.821 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.961 3.476 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.751 2.827 4.645 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.359 3.495 4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.811 1.227 4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.772 1.462 2.861 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.806 -0.175 1.841 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.379 -1.043 2.415 1.00 0.00 H new ATOM 997 N ILE A 63 -10.509 5.892 2.122 1.00 0.00 N ATOM 998 CA ILE A 63 -10.329 7.332 2.260 1.00 0.00 C ATOM 999 C ILE A 63 -11.663 8.034 2.488 1.00 0.00 C ATOM 1000 O ILE A 63 -12.590 7.903 1.689 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.649 7.936 1.017 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.218 7.412 0.886 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.658 9.455 1.095 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.570 7.748 -0.439 1.00 0.00 C ATOM 0 H ILE A 63 -11.147 5.616 1.376 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.687 7.488 3.127 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.208 7.634 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.613 7.826 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.223 6.330 1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.174 9.868 0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.687 9.811 1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.119 9.777 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.557 7.345 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.152 7.311 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.533 8.830 -0.562 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.753 8.782 3.583 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.974 9.508 3.916 1.00 0.00 C ATOM 1018 C HIS A 64 -14.122 8.542 4.190 1.00 0.00 C ATOM 1019 O HIS A 64 -15.290 8.881 4.001 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.352 10.459 2.780 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.309 11.495 2.495 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.585 12.683 1.851 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -10.984 11.518 2.770 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -11.475 13.391 1.742 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -10.488 12.706 2.292 1.00 0.00 N ATOM 0 H HIS A 64 -10.995 8.901 4.255 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.788 10.089 4.819 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.532 9.878 1.875 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.288 10.957 3.031 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.421 10.745 3.272 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.389 14.364 1.282 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.516 13.010 2.352 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.782 7.337 4.636 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.785 6.321 4.935 1.00 0.00 C ATOM 1036 C ASN A 65 -15.353 5.723 3.651 1.00 0.00 C ATOM 1037 O ASN A 65 -16.497 5.271 3.619 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.915 6.922 5.774 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.401 7.853 6.854 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -14.903 7.408 7.888 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -15.520 9.155 6.619 1.00 0.00 N ATOM 0 H ASN A 65 -12.820 7.040 4.798 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.303 5.526 5.503 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.597 7.468 5.122 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.489 6.118 6.234 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.192 9.830 7.310 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.939 9.480 5.748 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.543 5.722 2.597 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.965 5.179 1.311 1.00 0.00 C ATOM 1050 C GLN A 66 -13.787 4.553 0.572 1.00 0.00 C ATOM 1051 O GLN A 66 -12.704 5.135 0.505 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.596 6.276 0.453 1.00 0.00 C ATOM 1053 CG GLN A 66 -15.001 7.654 0.692 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.937 8.774 0.282 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -17.156 8.602 0.258 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.371 9.930 -0.044 1.00 0.00 N ATOM 0 H GLN A 66 -13.592 6.091 2.608 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.707 4.403 1.498 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.478 6.016 -0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.667 6.312 0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.754 7.761 1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.068 7.744 0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.356 10.029 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.951 10.719 -0.328 1.00 0.00 H new ATOM 1065 N ASP A 67 -14.005 3.366 0.019 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.962 2.661 -0.716 1.00 0.00 C ATOM 1067 C ASP A 67 -12.521 3.463 -1.937 1.00 0.00 C ATOM 1068 O ASP A 67 -13.348 3.898 -2.738 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.457 1.280 -1.149 1.00 0.00 C ATOM 1070 CG ASP A 67 -14.882 1.312 -1.666 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -15.327 2.389 -2.114 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -15.552 0.259 -1.623 1.00 0.00 O ATOM 0 H ASP A 67 -14.896 2.871 0.066 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.105 2.539 -0.054 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.800 0.889 -1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.395 0.594 -0.304 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.213 3.655 -2.071 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.662 4.407 -3.193 1.00 0.00 C ATOM 1079 C PHE A 68 -9.545 3.623 -3.877 1.00 0.00 C ATOM 1080 O PHE A 68 -8.888 2.787 -3.256 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.133 5.761 -2.716 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.147 6.865 -2.801 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.397 6.721 -2.220 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.851 8.047 -3.460 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.333 7.735 -2.298 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.783 9.065 -3.541 1.00 0.00 C ATOM 1087 CZ PHE A 68 -13.025 8.909 -2.957 1.00 0.00 C ATOM 0 H PHE A 68 -10.515 3.301 -1.417 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.461 4.572 -3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.796 5.667 -1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.262 6.032 -3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.642 5.806 -1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.880 8.175 -3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.305 7.609 -1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.540 9.981 -4.060 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.754 9.704 -3.016 1.00 0.00 H new ATOM 1097 N THR A 69 -9.337 3.899 -5.160 1.00 0.00 N ATOM 1098 CA THR A 69 -8.302 3.220 -5.930 1.00 0.00 C ATOM 1099 C THR A 69 -7.101 4.131 -6.159 1.00 0.00 C ATOM 1100 O THR A 69 -7.169 5.079 -6.940 1.00 0.00 O ATOM 1101 CB THR A 69 -8.837 2.743 -7.293 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.000 1.928 -7.104 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.776 1.955 -8.045 1.00 0.00 C ATOM 0 H THR A 69 -9.872 4.588 -5.688 1.00 0.00 H new ATOM 0 HA THR A 69 -7.992 2.353 -5.347 1.00 0.00 H new ATOM 0 HB THR A 69 -9.101 3.621 -7.883 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.336 1.630 -7.975 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.177 1.629 -9.005 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.904 2.587 -8.212 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.486 1.084 -7.458 1.00 0.00 H new ATOM 1111 N VAL A 70 -6.001 3.835 -5.474 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.783 4.626 -5.604 1.00 0.00 C ATOM 1113 C VAL A 70 -3.874 4.061 -6.690 1.00 0.00 C ATOM 1114 O VAL A 70 -3.283 2.994 -6.526 1.00 0.00 O ATOM 1115 CB VAL A 70 -4.005 4.682 -4.276 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.695 5.435 -4.456 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.853 5.324 -3.189 1.00 0.00 C ATOM 0 H VAL A 70 -5.928 3.053 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.089 5.635 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.771 3.663 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.159 5.464 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.084 4.928 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.903 6.453 -4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.288 5.355 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.119 6.338 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.761 4.739 -3.043 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.768 4.784 -7.800 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.929 4.356 -8.913 1.00 0.00 C ATOM 1129 C ASP A 71 -1.493 4.835 -8.728 1.00 0.00 C ATOM 1130 O ASP A 71 -1.237 6.036 -8.622 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.490 4.884 -10.235 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.146 3.989 -11.409 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -3.785 2.925 -11.552 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -2.239 4.353 -12.186 1.00 0.00 O ATOM 0 H ASP A 71 -4.252 5.669 -7.953 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.928 3.266 -8.937 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.573 4.974 -10.156 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.099 5.885 -10.418 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.560 3.891 -8.690 1.00 0.00 N ATOM 1140 CA LEU A 72 0.852 4.217 -8.516 1.00 0.00 C ATOM 1141 C LEU A 72 1.441 4.788 -9.802 1.00 0.00 C ATOM 1142 O LEU A 72 2.197 5.759 -9.772 1.00 0.00 O ATOM 1143 CB LEU A 72 1.634 2.972 -8.092 1.00 0.00 C ATOM 1144 CG LEU A 72 1.094 2.223 -6.873 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.481 0.754 -6.936 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.606 2.857 -5.588 1.00 0.00 C ATOM 0 H LEU A 72 -0.755 2.894 -8.777 1.00 0.00 H new ATOM 0 HA LEU A 72 0.932 4.973 -7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.663 2.281 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.663 3.266 -7.886 1.00 0.00 H new ATOM 0 HG LEU A 72 0.006 2.292 -6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.088 0.236 -6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.065 0.307 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.567 0.664 -6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.212 2.311 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.695 2.819 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.278 3.895 -5.539 1.00 0.00 H new ATOM 1158 N SER A 73 1.087 4.181 -10.930 1.00 0.00 N ATOM 1159 CA SER A 73 1.582 4.628 -12.227 1.00 0.00 C ATOM 1160 C SER A 73 1.490 6.146 -12.349 1.00 0.00 C ATOM 1161 O SER A 73 2.480 6.818 -12.641 1.00 0.00 O ATOM 1162 CB SER A 73 0.789 3.965 -13.355 1.00 0.00 C ATOM 1163 OG SER A 73 1.567 3.865 -14.535 1.00 0.00 O ATOM 0 H SER A 73 0.459 3.378 -10.972 1.00 0.00 H new ATOM 0 HA SER A 73 2.629 4.337 -12.309 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.467 2.972 -13.042 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.113 4.543 -13.558 1.00 0.00 H new ATOM 0 HG SER A 73 1.038 3.436 -15.240 1.00 0.00 H new ATOM 1169 N THR A 74 0.295 6.681 -12.122 1.00 0.00 N ATOM 1170 CA THR A 74 0.072 8.118 -12.208 1.00 0.00 C ATOM 1171 C THR A 74 0.145 8.769 -10.831 1.00 0.00 C ATOM 1172 O THR A 74 0.329 9.980 -10.716 1.00 0.00 O ATOM 1173 CB THR A 74 -1.295 8.438 -12.842 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.487 9.856 -12.902 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.424 7.802 -12.045 1.00 0.00 C ATOM 0 H THR A 74 -0.534 6.140 -11.877 1.00 0.00 H new ATOM 0 HA THR A 74 0.862 8.523 -12.841 1.00 0.00 H new ATOM 0 HB THR A 74 -1.308 8.027 -13.851 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.357 10.051 -13.308 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.379 8.042 -12.512 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.291 6.720 -12.026 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.412 8.187 -11.025 1.00 0.00 H new ATOM 1183 N ASN A 75 0.002 7.956 -9.789 1.00 0.00 N ATOM 1184 CA ASN A 75 0.052 8.454 -8.419 1.00 0.00 C ATOM 1185 C ASN A 75 -1.160 9.327 -8.113 1.00 0.00 C ATOM 1186 O ASN A 75 -1.030 10.416 -7.552 1.00 0.00 O ATOM 1187 CB ASN A 75 1.339 9.249 -8.191 1.00 0.00 C ATOM 1188 CG ASN A 75 2.527 8.650 -8.919 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.649 8.775 -10.138 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.408 7.994 -8.173 1.00 0.00 N ATOM 0 H ASN A 75 -0.149 6.950 -9.867 1.00 0.00 H new ATOM 0 HA ASN A 75 0.038 7.597 -7.746 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.192 10.276 -8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.554 9.289 -7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.227 7.568 -8.607 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.266 7.916 -7.166 1.00 0.00 H new ATOM 1197 N THR A 76 -2.341 8.843 -8.484 1.00 0.00 N ATOM 1198 CA THR A 76 -3.577 9.579 -8.250 1.00 0.00 C ATOM 1199 C THR A 76 -4.692 8.648 -7.787 1.00 0.00 C ATOM 1200 O THR A 76 -4.873 7.561 -8.334 1.00 0.00 O ATOM 1201 CB THR A 76 -4.038 10.321 -9.518 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.041 11.266 -9.923 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.356 11.041 -9.276 1.00 0.00 C ATOM 0 H THR A 76 -2.468 7.944 -8.948 1.00 0.00 H new ATOM 0 HA THR A 76 -3.367 10.308 -7.467 1.00 0.00 H new ATOM 0 HB THR A 76 -4.184 9.585 -10.309 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.341 11.732 -10.731 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.661 11.558 -10.186 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.121 10.316 -8.997 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.232 11.766 -8.471 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.437 9.082 -6.775 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.536 8.288 -6.240 1.00 0.00 C ATOM 1213 C ALA A 77 -7.855 8.654 -6.911 1.00 0.00 C ATOM 1214 O ALA A 77 -8.073 9.806 -7.289 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.638 8.475 -4.734 1.00 0.00 C ATOM 0 H ALA A 77 -5.299 9.979 -6.310 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.330 7.239 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.463 7.876 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.708 8.157 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.817 9.526 -4.509 1.00 0.00 H new ATOM 1221 N THR A 78 -8.734 7.667 -7.057 1.00 0.00 N ATOM 1222 CA THR A 78 -10.031 7.886 -7.684 1.00 0.00 C ATOM 1223 C THR A 78 -11.089 6.960 -7.096 1.00 0.00 C ATOM 1224 O THR A 78 -10.793 5.829 -6.710 1.00 0.00 O ATOM 1225 CB THR A 78 -9.963 7.667 -9.207 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.813 8.327 -9.746 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.220 8.191 -9.886 1.00 0.00 C ATOM 0 H THR A 78 -8.571 6.708 -6.749 1.00 0.00 H new ATOM 0 HA THR A 78 -10.307 8.922 -7.485 1.00 0.00 H new ATOM 0 HB THR A 78 -9.888 6.596 -9.395 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.776 8.182 -10.714 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.149 8.025 -10.961 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.091 7.665 -9.495 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.322 9.258 -9.689 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.325 7.446 -7.030 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.427 6.660 -6.491 1.00 0.00 C ATOM 1237 C ALA A 79 -14.685 6.825 -7.337 1.00 0.00 C ATOM 1238 O ALA A 79 -14.887 7.843 -7.999 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.704 7.058 -5.048 1.00 0.00 C ATOM 0 H ALA A 79 -12.587 8.381 -7.343 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.138 5.609 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.530 6.463 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.813 6.882 -4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.967 8.115 -5.006 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.551 5.801 -7.318 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.804 5.810 -8.079 1.00 0.00 C ATOM 1247 C PRO A 80 -17.815 6.804 -7.519 1.00 0.00 C ATOM 1248 O PRO A 80 -18.940 6.901 -8.010 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.321 4.377 -7.927 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.718 3.890 -6.655 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.374 4.556 -6.552 1.00 0.00 C ATOM 0 HA PRO A 80 -16.650 6.115 -9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.410 4.351 -7.884 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.020 3.756 -8.771 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.347 4.146 -5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.616 2.805 -6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.103 4.757 -5.515 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.584 3.934 -6.973 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.408 7.540 -6.490 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.280 8.526 -5.864 1.00 0.00 C ATOM 1261 C GLN A 81 -18.175 9.873 -6.572 1.00 0.00 C ATOM 1262 O GLN A 81 -19.161 10.597 -6.701 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.926 8.685 -4.385 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.940 7.376 -3.612 1.00 0.00 C ATOM 1265 CD GLN A 81 -19.324 6.762 -3.530 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -20.326 7.421 -3.810 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -19.387 5.493 -3.144 1.00 0.00 N ATOM 0 H GLN A 81 -16.480 7.472 -6.072 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.307 8.171 -5.948 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.937 9.135 -4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.630 9.377 -3.924 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.261 6.669 -4.089 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.563 7.550 -2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -18.531 4.984 -2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.291 5.027 -3.070 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.971 10.203 -7.029 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.759 11.463 -7.718 1.00 0.00 C ATOM 1278 C GLY A 82 -15.667 12.297 -7.078 1.00 0.00 C ATOM 1279 O GLY A 82 -15.740 13.526 -7.070 1.00 0.00 O ATOM 0 H GLY A 82 -16.139 9.621 -6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.499 11.266 -8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.689 12.031 -7.724 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.653 11.629 -6.537 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.544 12.317 -5.889 1.00 0.00 C ATOM 1285 C GLN A 83 -12.207 11.722 -6.320 1.00 0.00 C ATOM 1286 O GLN A 83 -12.079 10.508 -6.481 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.684 12.237 -4.368 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.471 13.391 -3.768 1.00 0.00 C ATOM 1289 CD GLN A 83 -15.202 13.001 -2.498 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -14.580 12.697 -1.480 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.528 13.008 -2.552 1.00 0.00 N ATOM 0 H GLN A 83 -14.577 10.612 -6.535 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.571 13.363 -6.195 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -14.173 11.299 -4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.690 12.214 -3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -13.792 14.216 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.192 13.754 -4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -17.002 13.267 -3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.073 12.755 -1.728 1.00 0.00 H new ATOM 1300 N THR A 84 -11.213 12.585 -6.507 1.00 0.00 N ATOM 1301 CA THR A 84 -9.887 12.145 -6.921 1.00 0.00 C ATOM 1302 C THR A 84 -8.797 12.959 -6.233 1.00 0.00 C ATOM 1303 O THR A 84 -8.938 14.168 -6.043 1.00 0.00 O ATOM 1304 CB THR A 84 -9.709 12.256 -8.447 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.644 13.633 -8.833 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.856 11.573 -9.177 1.00 0.00 C ATOM 0 H THR A 84 -11.302 13.593 -6.378 1.00 0.00 H new ATOM 0 HA THR A 84 -9.796 11.099 -6.627 1.00 0.00 H new ATOM 0 HB THR A 84 -8.778 11.758 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.529 13.695 -9.804 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.708 11.665 -10.253 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.885 10.518 -8.903 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.798 12.046 -8.898 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.711 12.291 -5.861 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.597 12.954 -5.193 1.00 0.00 C ATOM 1316 C PHE A 85 -5.268 12.562 -5.834 1.00 0.00 C ATOM 1317 O PHE A 85 -5.221 11.716 -6.727 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.582 12.599 -3.705 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.943 12.290 -3.149 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.855 13.305 -2.909 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.310 10.984 -2.866 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.108 13.024 -2.398 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.562 10.697 -2.355 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.462 11.718 -2.120 1.00 0.00 C ATOM 0 H PHE A 85 -7.578 11.291 -6.011 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.730 14.030 -5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.931 11.738 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.150 13.429 -3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.584 14.328 -3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.610 10.182 -3.047 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.810 13.825 -2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.836 9.675 -2.140 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.440 11.496 -1.720 1.00 0.00 H new ATOM 1334 N THR A 86 -4.189 13.185 -5.371 1.00 0.00 N ATOM 1335 CA THR A 86 -2.859 12.904 -5.898 1.00 0.00 C ATOM 1336 C THR A 86 -1.928 12.399 -4.802 1.00 0.00 C ATOM 1337 O THR A 86 -1.741 13.058 -3.780 1.00 0.00 O ATOM 1338 CB THR A 86 -2.237 14.155 -6.548 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.057 14.602 -7.634 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.833 13.860 -7.054 1.00 0.00 C ATOM 0 H THR A 86 -4.210 13.888 -4.632 1.00 0.00 H new ATOM 0 HA THR A 86 -2.977 12.129 -6.656 1.00 0.00 H new ATOM 0 HB THR A 86 -2.177 14.938 -5.793 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.656 15.398 -8.041 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.414 14.758 -7.509 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.204 13.548 -6.220 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.874 13.063 -7.796 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.345 11.225 -5.022 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.432 10.631 -4.054 1.00 0.00 C ATOM 1350 C VAL A 87 1.020 10.923 -4.417 1.00 0.00 C ATOM 1351 O VAL A 87 1.412 10.817 -5.579 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.629 9.107 -3.957 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.841 8.778 -3.099 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.766 8.499 -5.344 1.00 0.00 C ATOM 0 H VAL A 87 -1.489 10.666 -5.863 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.660 11.081 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 87 0.251 8.674 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.964 7.696 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.697 9.180 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.732 9.222 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.905 7.421 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.627 8.936 -5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.136 8.703 -5.922 1.00 0.00 H new ATOM 1364 N GLN A 88 1.813 11.290 -3.415 1.00 0.00 N ATOM 1365 CA GLN A 88 3.222 11.597 -3.630 1.00 0.00 C ATOM 1366 C GLN A 88 4.107 10.773 -2.701 1.00 0.00 C ATOM 1367 O GLN A 88 3.818 10.637 -1.512 1.00 0.00 O ATOM 1368 CB GLN A 88 3.480 13.088 -3.410 1.00 0.00 C ATOM 1369 CG GLN A 88 3.045 13.585 -2.040 1.00 0.00 C ATOM 1370 CD GLN A 88 2.709 15.063 -2.035 1.00 0.00 C ATOM 1371 OE1 GLN A 88 2.989 15.778 -2.998 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.106 15.529 -0.948 1.00 0.00 N ATOM 0 H GLN A 88 1.504 11.382 -2.447 1.00 0.00 H new ATOM 0 HA GLN A 88 3.470 11.341 -4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.544 13.287 -3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.954 13.656 -4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.174 13.017 -1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.840 13.395 -1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.893 14.900 -0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.856 16.516 -0.887 1.00 0.00 H new ATOM 1381 N ARG A 89 5.185 10.224 -3.251 1.00 0.00 N ATOM 1382 CA ARG A 89 6.111 9.412 -2.471 1.00 0.00 C ATOM 1383 C ARG A 89 7.291 10.249 -1.984 1.00 0.00 C ATOM 1384 O ARG A 89 7.938 10.945 -2.767 1.00 0.00 O ATOM 1385 CB ARG A 89 6.618 8.235 -3.306 1.00 0.00 C ATOM 1386 CG ARG A 89 7.268 7.137 -2.480 1.00 0.00 C ATOM 1387 CD ARG A 89 7.277 5.811 -3.223 1.00 0.00 C ATOM 1388 NE ARG A 89 7.667 4.701 -2.358 1.00 0.00 N ATOM 1389 CZ ARG A 89 8.929 4.361 -2.123 1.00 0.00 C ATOM 1390 NH1 ARG A 89 9.918 5.042 -2.685 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.205 3.338 -1.324 1.00 0.00 N ATOM 0 H ARG A 89 5.439 10.327 -4.234 1.00 0.00 H new ATOM 0 HA ARG A 89 5.576 9.029 -1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.784 7.812 -3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.338 8.603 -4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.290 7.423 -2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.732 7.024 -1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.286 5.619 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.965 5.873 -4.066 1.00 0.00 H new ATOM 0 HE ARG A 89 6.930 4.157 -1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.710 5.829 -3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.886 4.779 -2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.447 2.811 -0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.175 3.078 -1.145 1.00 0.00 H new ATOM 1405 N LEU A 90 7.565 10.176 -0.686 1.00 0.00 N ATOM 1406 CA LEU A 90 8.666 10.927 -0.093 1.00 0.00 C ATOM 1407 C LEU A 90 9.520 10.030 0.797 1.00 0.00 C ATOM 1408 O LEU A 90 9.006 9.141 1.476 1.00 0.00 O ATOM 1409 CB LEU A 90 8.127 12.105 0.720 1.00 0.00 C ATOM 1410 CG LEU A 90 6.932 12.846 0.117 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.626 12.231 0.595 1.00 0.00 C ATOM 1412 CD2 LEU A 90 6.988 14.325 0.470 1.00 0.00 C ATOM 0 H LEU A 90 7.040 9.604 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 90 9.290 11.307 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.842 11.740 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.936 12.820 0.866 1.00 0.00 H new ATOM 0 HG LEU A 90 6.979 12.750 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.787 12.771 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.583 11.185 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.570 12.295 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.130 14.836 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.966 14.442 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.908 14.758 0.077 1.00 0.00 H new