USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 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 87 THR OG1 : rot 61:sc= -0.38 USER MOD Set 1.2: A 91 ASN : amide:sc= -3.41! C(o=-3.8!,f=-8.8!) USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.7) USER MOD Set 3.1: A 57 TYR OH : rot 150:sc= 0 USER MOD Set 3.2: A 98 HIS : no HE2:sc= -0.312 K(o=-0.31,f=-2.7) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 43 GLN : amide:sc= 0.0925 K(o=0.092,f=-4!) USER MOD Single : A 45 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-6.5!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= 0.565 F(o=-0.0014,f=0.56) USER MOD Single : A 70 MET CE :methyl -173:sc= -1.21 (180deg=-1.5) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 64:sc= 0.0619 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -175:sc= -1.26 (180deg=-1.31) USER MOD Single : A 79 ASN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -139:sc= 0.0951 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 67:sc= 1.14 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 459 N ILE A 33 66.147 37.891 -6.031 1.00 0.00 N ATOM 460 CA ILE A 33 67.374 37.920 -6.818 1.00 0.00 C ATOM 461 C ILE A 33 67.259 38.902 -7.979 1.00 0.00 C ATOM 462 O ILE A 33 68.243 39.521 -8.383 1.00 0.00 O ATOM 463 CB ILE A 33 67.721 36.526 -7.372 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.084 36.554 -8.066 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.641 36.054 -8.333 1.00 0.00 C ATOM 466 CD1 ILE A 33 69.919 35.319 -7.809 1.00 0.00 C ATOM 0 HA ILE A 33 68.171 38.244 -6.148 1.00 0.00 H new ATOM 0 HB ILE A 33 67.772 35.823 -6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 33 68.934 36.664 -9.140 1.00 0.00 H new ATOM 0 HG13 ILE A 33 69.636 37.432 -7.730 1.00 0.00 H new ATOM 0 HG21 ILE A 33 66.901 35.067 -8.716 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.686 36.000 -7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.561 36.756 -9.163 1.00 0.00 H new ATOM 0 HD11 ILE A 33 70.871 35.408 -8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.101 35.219 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.388 34.439 -8.171 1.00 0.00 H new ATOM 478 N VAL A 34 66.049 39.041 -8.511 1.00 0.00 N ATOM 479 CA VAL A 34 65.803 39.950 -9.624 1.00 0.00 C ATOM 480 C VAL A 34 64.360 40.444 -9.623 1.00 0.00 C ATOM 481 O VAL A 34 63.419 39.684 -9.393 1.00 0.00 O ATOM 482 CB VAL A 34 66.102 39.276 -10.976 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.175 39.811 -12.057 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.559 39.481 -11.363 1.00 0.00 C ATOM 0 H VAL A 34 65.224 38.536 -8.189 1.00 0.00 H new ATOM 0 HA VAL A 34 66.474 40.799 -9.493 1.00 0.00 H new ATOM 0 HB VAL A 34 65.923 38.205 -10.875 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.402 39.323 -13.005 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.140 39.607 -11.782 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.318 40.887 -12.159 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.752 38.998 -12.321 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.767 40.548 -11.446 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.203 39.044 -10.600 1.00 0.00 H new ATOM 494 N PRO A 35 64.180 41.746 -9.887 1.00 0.00 N ATOM 495 CA PRO A 35 62.854 42.370 -9.923 1.00 0.00 C ATOM 496 C PRO A 35 62.031 41.913 -11.122 1.00 0.00 C ATOM 497 O PRO A 35 60.867 41.538 -10.981 1.00 0.00 O ATOM 498 CB PRO A 35 63.169 43.865 -10.029 1.00 0.00 C ATOM 499 CG PRO A 35 64.517 43.925 -10.659 1.00 0.00 C ATOM 500 CD PRO A 35 65.257 42.710 -10.171 1.00 0.00 C ATOM 0 HA PRO A 35 62.256 42.107 -9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.426 44.384 -10.634 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.169 44.340 -9.048 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.440 43.924 -11.746 1.00 0.00 H new ATOM 0 HG3 PRO A 35 65.039 44.839 -10.377 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.948 42.331 -10.924 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.846 42.929 -9.280 1.00 0.00 H new ATOM 508 N ALA A 36 62.642 41.947 -12.302 1.00 0.00 N ATOM 509 CA ALA A 36 61.966 41.533 -13.525 1.00 0.00 C ATOM 510 C ALA A 36 62.899 41.629 -14.728 1.00 0.00 C ATOM 511 O ALA A 36 63.386 40.616 -15.230 1.00 0.00 O ATOM 512 CB ALA A 36 60.721 42.378 -13.752 1.00 0.00 C ATOM 0 H ALA A 36 63.604 42.257 -12.437 1.00 0.00 H new ATOM 0 HA ALA A 36 61.669 40.491 -13.411 1.00 0.00 H new ATOM 0 HB1 ALA A 36 60.226 42.058 -14.669 1.00 0.00 H new ATOM 0 HB2 ALA A 36 60.040 42.255 -12.910 1.00 0.00 H new ATOM 0 HB3 ALA A 36 61.004 43.427 -13.840 1.00 0.00 H new ATOM 518 N ASP A 37 63.143 42.853 -15.184 1.00 0.00 N ATOM 519 CA ASP A 37 64.018 43.081 -16.328 1.00 0.00 C ATOM 520 C ASP A 37 65.253 43.878 -15.918 1.00 0.00 C ATOM 521 O ASP A 37 65.276 44.542 -14.882 1.00 0.00 O ATOM 522 CB ASP A 37 63.264 43.820 -17.435 1.00 0.00 C ATOM 523 CG ASP A 37 62.915 42.915 -18.601 1.00 0.00 C ATOM 524 OD1 ASP A 37 62.323 41.842 -18.363 1.00 0.00 O ATOM 525 OD2 ASP A 37 63.233 43.282 -19.751 1.00 0.00 O ATOM 0 H ASP A 37 62.748 43.702 -14.779 1.00 0.00 H new ATOM 0 HA ASP A 37 64.342 42.111 -16.705 1.00 0.00 H new ATOM 0 HB2 ASP A 37 62.349 44.248 -17.025 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.872 44.651 -17.793 1.00 0.00 H new ATOM 530 N PRO A 38 66.304 43.810 -16.748 1.00 0.00 N ATOM 531 CA PRO A 38 67.562 44.519 -16.492 1.00 0.00 C ATOM 532 C PRO A 38 67.417 46.029 -16.641 1.00 0.00 C ATOM 533 O PRO A 38 68.258 46.794 -16.168 1.00 0.00 O ATOM 534 CB PRO A 38 68.505 43.964 -17.561 1.00 0.00 C ATOM 535 CG PRO A 38 67.608 43.516 -18.663 1.00 0.00 C ATOM 536 CD PRO A 38 66.346 43.037 -18.001 1.00 0.00 C ATOM 0 HA PRO A 38 67.915 44.367 -15.472 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.205 44.725 -17.905 1.00 0.00 H new ATOM 0 HB3 PRO A 38 69.099 43.137 -17.173 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.400 44.333 -19.354 1.00 0.00 H new ATOM 0 HG3 PRO A 38 68.071 42.718 -19.243 1.00 0.00 H new ATOM 0 HD2 PRO A 38 65.470 43.228 -18.621 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.374 41.964 -17.811 1.00 0.00 H new ATOM 544 N THR A 39 66.343 46.454 -17.300 1.00 0.00 N ATOM 545 CA THR A 39 66.088 47.873 -17.512 1.00 0.00 C ATOM 546 C THR A 39 65.522 48.524 -16.255 1.00 0.00 C ATOM 547 O THR A 39 65.769 49.701 -15.987 1.00 0.00 O ATOM 548 CB THR A 39 65.109 48.100 -18.679 1.00 0.00 C ATOM 549 OG1 THR A 39 64.023 47.171 -18.595 1.00 0.00 O ATOM 550 CG2 THR A 39 65.816 47.942 -20.017 1.00 0.00 C ATOM 0 H THR A 39 65.636 45.835 -17.696 1.00 0.00 H new ATOM 0 HA THR A 39 67.046 48.333 -17.756 1.00 0.00 H new ATOM 0 HB THR A 39 64.723 49.117 -18.608 1.00 0.00 H new ATOM 0 HG1 THR A 39 63.404 47.323 -19.340 1.00 0.00 H new ATOM 0 HG21 THR A 39 65.105 48.107 -20.826 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.624 48.670 -20.090 1.00 0.00 H new ATOM 0 HG23 THR A 39 66.227 46.935 -20.095 1.00 0.00 H new ATOM 558 N LEU A 40 64.763 47.752 -15.486 1.00 0.00 N ATOM 559 CA LEU A 40 64.161 48.253 -14.255 1.00 0.00 C ATOM 560 C LEU A 40 64.949 47.787 -13.035 1.00 0.00 C ATOM 561 O LEU A 40 64.376 47.276 -12.072 1.00 0.00 O ATOM 562 CB LEU A 40 62.708 47.787 -14.147 1.00 0.00 C ATOM 563 CG LEU A 40 61.833 48.029 -15.377 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.505 47.300 -15.238 1.00 0.00 C ATOM 565 CD2 LEU A 40 61.606 49.519 -15.586 1.00 0.00 C ATOM 0 H LEU A 40 64.549 46.776 -15.693 1.00 0.00 H new ATOM 0 HA LEU A 40 64.185 49.342 -14.286 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.705 46.719 -13.928 1.00 0.00 H new ATOM 0 HB3 LEU A 40 62.249 48.288 -13.295 1.00 0.00 H new ATOM 0 HG LEU A 40 62.351 47.635 -16.251 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.895 47.483 -16.122 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.686 46.230 -15.138 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.981 47.664 -14.354 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.981 49.672 -16.466 1.00 0.00 H new ATOM 0 HD22 LEU A 40 61.109 49.938 -14.711 1.00 0.00 H new ATOM 0 HD23 LEU A 40 62.565 50.016 -15.731 1.00 0.00 H new ATOM 577 N TRP A 41 66.264 47.969 -13.081 1.00 0.00 N ATOM 578 CA TRP A 41 67.130 47.569 -11.978 1.00 0.00 C ATOM 579 C TRP A 41 67.488 48.766 -11.105 1.00 0.00 C ATOM 580 O TRP A 41 67.369 49.916 -11.530 1.00 0.00 O ATOM 581 CB TRP A 41 68.404 46.914 -12.514 1.00 0.00 C ATOM 582 CG TRP A 41 68.333 45.417 -12.550 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.206 44.652 -12.651 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.435 44.506 -12.482 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.541 43.320 -12.650 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.903 43.203 -12.549 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.819 44.662 -12.374 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.707 42.067 -12.509 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.616 43.534 -12.335 1.00 0.00 C ATOM 590 CH2 TRP A 41 71.059 42.251 -12.403 1.00 0.00 C ATOM 0 H TRP A 41 66.754 48.391 -13.870 1.00 0.00 H new ATOM 0 HA TRP A 41 66.588 46.847 -11.367 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.599 47.286 -13.520 1.00 0.00 H new ATOM 0 HB3 TRP A 41 69.248 47.216 -11.893 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.200 45.038 -12.721 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.883 42.543 -12.714 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.258 45.647 -12.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.279 41.077 -12.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.687 43.644 -12.251 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.709 41.389 -12.371 1.00 0.00 H new ATOM 601 N THR A 42 67.927 48.491 -9.881 1.00 0.00 N ATOM 602 CA THR A 42 68.301 49.546 -8.947 1.00 0.00 C ATOM 603 C THR A 42 69.769 49.435 -8.552 1.00 0.00 C ATOM 604 O THR A 42 70.422 48.430 -8.833 1.00 0.00 O ATOM 605 CB THR A 42 67.433 49.504 -7.675 1.00 0.00 C ATOM 606 OG1 THR A 42 67.703 50.650 -6.860 1.00 0.00 O ATOM 607 CG2 THR A 42 67.700 48.235 -6.879 1.00 0.00 C ATOM 0 H THR A 42 68.032 47.546 -9.513 1.00 0.00 H new ATOM 0 HA THR A 42 68.136 50.494 -9.458 1.00 0.00 H new ATOM 0 HB THR A 42 66.385 49.511 -7.976 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.146 50.617 -6.054 1.00 0.00 H new ATOM 0 HG21 THR A 42 67.076 48.228 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.466 47.365 -7.492 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.750 48.202 -6.588 1.00 0.00 H new ATOM 615 N GLN A 43 70.280 50.472 -7.898 1.00 0.00 N ATOM 616 CA GLN A 43 71.672 50.490 -7.463 1.00 0.00 C ATOM 617 C GLN A 43 71.987 49.277 -6.594 1.00 0.00 C ATOM 618 O GLN A 43 73.133 48.834 -6.522 1.00 0.00 O ATOM 619 CB GLN A 43 71.972 51.776 -6.692 1.00 0.00 C ATOM 620 CG GLN A 43 72.376 52.940 -7.583 1.00 0.00 C ATOM 621 CD GLN A 43 71.194 53.792 -8.001 1.00 0.00 C ATOM 622 OE1 GLN A 43 70.044 53.468 -7.704 1.00 0.00 O ATOM 623 NE2 GLN A 43 71.472 54.890 -8.695 1.00 0.00 N ATOM 0 H GLN A 43 69.752 51.311 -7.657 1.00 0.00 H new ATOM 0 HA GLN A 43 72.303 50.452 -8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.090 52.059 -6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 43 72.771 51.583 -5.976 1.00 0.00 H new ATOM 0 HG2 GLN A 43 73.099 53.562 -7.056 1.00 0.00 H new ATOM 0 HG3 GLN A 43 72.875 52.556 -8.473 1.00 0.00 H new ATOM 0 HE21 GLN A 43 72.440 55.120 -8.919 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.717 55.503 -9.004 1.00 0.00 H new ATOM 632 N GLU A 44 70.962 48.745 -5.936 1.00 0.00 N ATOM 633 CA GLU A 44 71.131 47.583 -5.071 1.00 0.00 C ATOM 634 C GLU A 44 71.287 46.309 -5.896 1.00 0.00 C ATOM 635 O GLU A 44 71.922 45.348 -5.460 1.00 0.00 O ATOM 636 CB GLU A 44 69.937 47.447 -4.124 1.00 0.00 C ATOM 637 CG GLU A 44 70.310 46.931 -2.744 1.00 0.00 C ATOM 638 CD GLU A 44 69.786 47.816 -1.629 1.00 0.00 C ATOM 639 OE1 GLU A 44 70.451 48.823 -1.310 1.00 0.00 O ATOM 640 OE2 GLU A 44 68.712 47.500 -1.076 1.00 0.00 O ATOM 0 H GLU A 44 70.007 49.100 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 44 72.037 47.728 -4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.453 48.418 -4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.206 46.772 -4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 44 69.916 45.923 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 44 71.395 46.861 -2.668 1.00 0.00 H new ATOM 647 N HIS A 45 70.704 46.308 -7.090 1.00 0.00 N ATOM 648 CA HIS A 45 70.778 45.152 -7.977 1.00 0.00 C ATOM 649 C HIS A 45 72.031 45.213 -8.844 1.00 0.00 C ATOM 650 O HIS A 45 72.568 44.182 -9.251 1.00 0.00 O ATOM 651 CB HIS A 45 69.534 45.081 -8.862 1.00 0.00 C ATOM 652 CG HIS A 45 68.317 44.582 -8.146 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.166 45.328 -8.007 1.00 0.00 N ATOM 654 CD2 HIS A 45 68.075 43.401 -7.530 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.269 44.629 -7.334 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.796 43.456 -7.033 1.00 0.00 N ATOM 0 H HIS A 45 70.175 47.095 -7.466 1.00 0.00 H new ATOM 0 HA HIS A 45 70.827 44.254 -7.361 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.328 46.073 -9.264 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.739 44.429 -9.711 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.760 42.570 -7.445 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.274 44.960 -7.074 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.329 42.712 -6.515 1.00 0.00 H new ATOM 664 N VAL A 46 72.493 46.428 -9.125 1.00 0.00 N ATOM 665 CA VAL A 46 73.683 46.623 -9.945 1.00 0.00 C ATOM 666 C VAL A 46 74.944 46.224 -9.186 1.00 0.00 C ATOM 667 O VAL A 46 75.927 45.784 -9.783 1.00 0.00 O ATOM 668 CB VAL A 46 73.815 48.087 -10.403 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.998 48.248 -11.345 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.528 48.556 -11.065 1.00 0.00 C ATOM 0 H VAL A 46 72.061 47.292 -8.797 1.00 0.00 H new ATOM 0 HA VAL A 46 73.572 45.985 -10.821 1.00 0.00 H new ATOM 0 HB VAL A 46 73.993 48.709 -9.526 1.00 0.00 H new ATOM 0 HG11 VAL A 46 75.075 49.289 -11.658 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.914 47.955 -10.832 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.854 47.616 -12.221 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.639 49.593 -11.383 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.317 47.931 -11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.705 48.480 -10.354 1.00 0.00 H new ATOM 680 N ARG A 47 74.908 46.380 -7.866 1.00 0.00 N ATOM 681 CA ARG A 47 76.048 46.036 -7.025 1.00 0.00 C ATOM 682 C ARG A 47 75.972 44.581 -6.574 1.00 0.00 C ATOM 683 O ARG A 47 76.951 43.841 -6.665 1.00 0.00 O ATOM 684 CB ARG A 47 76.105 46.958 -5.806 1.00 0.00 C ATOM 685 CG ARG A 47 77.497 47.493 -5.511 1.00 0.00 C ATOM 686 CD ARG A 47 77.480 48.486 -4.360 1.00 0.00 C ATOM 687 NE ARG A 47 78.777 49.130 -4.173 1.00 0.00 N ATOM 688 CZ ARG A 47 79.813 48.539 -3.586 1.00 0.00 C ATOM 689 NH1 ARG A 47 79.703 47.298 -3.132 1.00 0.00 N ATOM 690 NH2 ARG A 47 80.961 49.190 -3.453 1.00 0.00 N ATOM 0 H ARG A 47 74.102 46.742 -7.357 1.00 0.00 H new ATOM 0 HA ARG A 47 76.956 46.168 -7.614 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.428 47.798 -5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 47 75.741 46.415 -4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 47 78.162 46.665 -5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 47 77.899 47.974 -6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.722 49.246 -4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 47 77.195 47.972 -3.442 1.00 0.00 H new ATOM 0 HE ARG A 47 78.895 50.085 -4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.822 46.794 -3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 47 80.500 46.847 -2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 47 81.049 50.145 -3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 47 81.756 48.736 -3.002 1.00 0.00 H new ATOM 704 N GLN A 48 74.803 44.179 -6.086 1.00 0.00 N ATOM 705 CA GLN A 48 74.600 42.812 -5.620 1.00 0.00 C ATOM 706 C GLN A 48 74.889 41.808 -6.731 1.00 0.00 C ATOM 707 O GLN A 48 75.619 40.838 -6.529 1.00 0.00 O ATOM 708 CB GLN A 48 73.168 42.631 -5.113 1.00 0.00 C ATOM 709 CG GLN A 48 72.930 43.226 -3.734 1.00 0.00 C ATOM 710 CD GLN A 48 73.112 42.211 -2.622 1.00 0.00 C ATOM 711 OE1 GLN A 48 74.185 41.627 -2.469 1.00 0.00 O ATOM 712 NE2 GLN A 48 72.062 41.996 -1.839 1.00 0.00 N ATOM 0 H GLN A 48 73.983 44.780 -6.003 1.00 0.00 H new ATOM 0 HA GLN A 48 75.295 42.628 -4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.480 43.091 -5.822 1.00 0.00 H new ATOM 0 HB3 GLN A 48 72.933 41.567 -5.086 1.00 0.00 H new ATOM 0 HG2 GLN A 48 73.617 44.058 -3.578 1.00 0.00 H new ATOM 0 HG3 GLN A 48 71.920 43.633 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 48 71.192 42.503 -2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 48 72.125 41.324 -1.074 1.00 0.00 H new ATOM 721 N TRP A 49 74.313 42.049 -7.903 1.00 0.00 N ATOM 722 CA TRP A 49 74.509 41.165 -9.046 1.00 0.00 C ATOM 723 C TRP A 49 75.993 40.932 -9.306 1.00 0.00 C ATOM 724 O TRP A 49 76.457 39.792 -9.338 1.00 0.00 O ATOM 725 CB TRP A 49 73.846 41.755 -10.292 1.00 0.00 C ATOM 726 CG TRP A 49 74.151 40.990 -11.545 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.805 39.698 -11.821 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.863 41.470 -12.690 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.261 39.346 -13.068 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.912 40.415 -13.623 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.463 42.688 -13.020 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.538 40.544 -14.860 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.084 42.815 -14.248 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.117 41.748 -15.156 1.00 0.00 C ATOM 0 H TRP A 49 73.707 42.849 -8.087 1.00 0.00 H new ATOM 0 HA TRP A 49 74.045 40.206 -8.816 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.766 41.780 -10.143 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.174 42.787 -10.416 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.254 39.049 -11.157 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.135 38.435 -13.509 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.442 43.516 -12.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.566 39.723 -15.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.552 43.752 -14.512 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.609 41.879 -16.108 1.00 0.00 H new ATOM 745 N LEU A 50 76.734 42.019 -9.492 1.00 0.00 N ATOM 746 CA LEU A 50 78.168 41.933 -9.749 1.00 0.00 C ATOM 747 C LEU A 50 78.871 41.142 -8.650 1.00 0.00 C ATOM 748 O LEU A 50 79.541 40.147 -8.922 1.00 0.00 O ATOM 749 CB LEU A 50 78.772 43.334 -9.851 1.00 0.00 C ATOM 750 CG LEU A 50 80.052 43.454 -10.679 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.733 43.402 -12.165 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.792 44.739 -10.335 1.00 0.00 C ATOM 0 H LEU A 50 76.366 42.970 -9.470 1.00 0.00 H new ATOM 0 HA LEU A 50 78.313 41.412 -10.695 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.023 44.001 -10.278 1.00 0.00 H new ATOM 0 HB3 LEU A 50 78.980 43.693 -8.843 1.00 0.00 H new ATOM 0 HG LEU A 50 80.699 42.610 -10.437 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.656 43.489 -12.738 1.00 0.00 H new ATOM 0 HD12 LEU A 50 79.248 42.455 -12.400 1.00 0.00 H new ATOM 0 HD13 LEU A 50 79.067 44.225 -12.423 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.700 44.807 -10.934 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.152 45.595 -10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.054 44.736 -9.277 1.00 0.00 H new ATOM 764 N GLU A 51 78.712 41.592 -7.410 1.00 0.00 N ATOM 765 CA GLU A 51 79.331 40.924 -6.271 1.00 0.00 C ATOM 766 C GLU A 51 78.994 39.436 -6.263 1.00 0.00 C ATOM 767 O GLU A 51 79.790 38.611 -5.813 1.00 0.00 O ATOM 768 CB GLU A 51 78.871 41.569 -4.961 1.00 0.00 C ATOM 769 CG GLU A 51 79.783 42.685 -4.479 1.00 0.00 C ATOM 770 CD GLU A 51 79.729 42.874 -2.976 1.00 0.00 C ATOM 771 OE1 GLU A 51 78.781 42.360 -2.346 1.00 0.00 O ATOM 772 OE2 GLU A 51 80.635 43.536 -2.429 1.00 0.00 O ATOM 0 H GLU A 51 78.161 42.415 -7.168 1.00 0.00 H new ATOM 0 HA GLU A 51 80.412 41.034 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 51 77.865 41.966 -5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.811 40.801 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.808 42.466 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.501 43.617 -4.969 1.00 0.00 H new ATOM 779 N TRP A 52 77.811 39.101 -6.764 1.00 0.00 N ATOM 780 CA TRP A 52 77.368 37.712 -6.814 1.00 0.00 C ATOM 781 C TRP A 52 78.057 36.962 -7.949 1.00 0.00 C ATOM 782 O TRP A 52 78.517 35.835 -7.771 1.00 0.00 O ATOM 783 CB TRP A 52 75.850 37.646 -6.990 1.00 0.00 C ATOM 784 CG TRP A 52 75.323 36.245 -7.075 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.976 35.436 -6.031 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.084 35.490 -8.267 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.536 34.223 -6.503 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.592 34.231 -7.872 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.236 35.756 -9.631 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.253 33.242 -8.791 1.00 0.00 C ATOM 791 CZ3 TRP A 52 74.899 34.773 -10.542 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.412 33.529 -10.120 1.00 0.00 C ATOM 0 H TRP A 52 77.141 39.771 -7.141 1.00 0.00 H new ATOM 0 HA TRP A 52 77.639 37.236 -5.872 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.372 38.157 -6.154 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.572 38.187 -7.895 1.00 0.00 H new ATOM 0 HD1 TRP A 52 75.038 35.709 -4.988 1.00 0.00 H new ATOM 0 HE1 TRP A 52 74.219 33.443 -5.927 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.610 36.712 -9.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.878 32.282 -8.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.013 34.967 -11.598 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.157 32.782 -10.857 1.00 0.00 H new ATOM 803 N ALA A 53 78.124 37.595 -9.116 1.00 0.00 N ATOM 804 CA ALA A 53 78.759 36.987 -10.279 1.00 0.00 C ATOM 805 C ALA A 53 80.244 36.747 -10.030 1.00 0.00 C ATOM 806 O ALA A 53 80.744 35.639 -10.226 1.00 0.00 O ATOM 807 CB ALA A 53 78.563 37.865 -11.506 1.00 0.00 C ATOM 0 H ALA A 53 77.746 38.528 -9.281 1.00 0.00 H new ATOM 0 HA ALA A 53 78.286 36.021 -10.457 1.00 0.00 H new ATOM 0 HB1 ALA A 53 79.042 37.399 -12.367 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.497 37.982 -11.703 1.00 0.00 H new ATOM 0 HB3 ALA A 53 79.009 38.844 -11.328 1.00 0.00 H new ATOM 813 N ILE A 54 80.944 37.791 -9.599 1.00 0.00 N ATOM 814 CA ILE A 54 82.372 37.692 -9.324 1.00 0.00 C ATOM 815 C ILE A 54 82.671 36.533 -8.379 1.00 0.00 C ATOM 816 O ILE A 54 83.749 35.941 -8.426 1.00 0.00 O ATOM 817 CB ILE A 54 82.918 38.994 -8.709 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.661 40.174 -9.649 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.405 38.859 -8.416 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.906 41.522 -9.007 1.00 0.00 C ATOM 0 H ILE A 54 80.545 38.715 -9.433 1.00 0.00 H new ATOM 0 HA ILE A 54 82.866 37.515 -10.280 1.00 0.00 H new ATOM 0 HB ILE A 54 82.398 39.181 -7.770 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.302 40.076 -10.525 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.630 40.130 -10.001 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.776 39.787 -7.982 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.565 38.041 -7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.941 38.652 -9.342 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.704 42.312 -9.731 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.247 41.641 -8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.944 41.586 -8.680 1.00 0.00 H new ATOM 832 N LYS A 55 81.707 36.212 -7.522 1.00 0.00 N ATOM 833 CA LYS A 55 81.864 35.121 -6.567 1.00 0.00 C ATOM 834 C LYS A 55 81.495 33.785 -7.203 1.00 0.00 C ATOM 835 O LYS A 55 82.334 32.894 -7.326 1.00 0.00 O ATOM 836 CB LYS A 55 80.994 35.368 -5.332 1.00 0.00 C ATOM 837 CG LYS A 55 81.738 36.038 -4.189 1.00 0.00 C ATOM 838 CD LYS A 55 82.351 37.359 -4.621 1.00 0.00 C ATOM 839 CE LYS A 55 83.854 37.236 -4.824 1.00 0.00 C ATOM 840 NZ LYS A 55 84.547 38.541 -4.639 1.00 0.00 N ATOM 0 H LYS A 55 80.809 36.692 -7.469 1.00 0.00 H new ATOM 0 HA LYS A 55 82.911 35.083 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.144 35.989 -5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.592 34.416 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.053 36.208 -3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 55 82.522 35.374 -3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 55 81.884 37.692 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 55 82.145 38.120 -3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.257 36.508 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.055 36.857 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.569 38.415 -4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 84.181 39.229 -5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.376 38.891 -3.675 1.00 0.00 H new ATOM 854 N GLU A 56 80.234 33.654 -7.605 1.00 0.00 N ATOM 855 CA GLU A 56 79.756 32.425 -8.228 1.00 0.00 C ATOM 856 C GLU A 56 80.646 32.029 -9.403 1.00 0.00 C ATOM 857 O GLU A 56 81.313 30.995 -9.369 1.00 0.00 O ATOM 858 CB GLU A 56 78.312 32.597 -8.704 1.00 0.00 C ATOM 859 CG GLU A 56 77.535 31.293 -8.773 1.00 0.00 C ATOM 860 CD GLU A 56 77.089 30.806 -7.409 1.00 0.00 C ATOM 861 OE1 GLU A 56 76.793 31.657 -6.543 1.00 0.00 O ATOM 862 OE2 GLU A 56 77.036 29.575 -7.205 1.00 0.00 O ATOM 0 H GLU A 56 79.526 34.383 -7.510 1.00 0.00 H new ATOM 0 HA GLU A 56 79.793 31.631 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.796 33.283 -8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.316 33.060 -9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.661 31.429 -9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 56 78.155 30.529 -9.242 1.00 0.00 H new ATOM 869 N TYR A 57 80.650 32.858 -10.441 1.00 0.00 N ATOM 870 CA TYR A 57 81.454 32.594 -11.627 1.00 0.00 C ATOM 871 C TYR A 57 82.940 32.559 -11.281 1.00 0.00 C ATOM 872 O TYR A 57 83.732 31.908 -11.963 1.00 0.00 O ATOM 873 CB TYR A 57 81.193 33.659 -12.694 1.00 0.00 C ATOM 874 CG TYR A 57 79.835 33.539 -13.348 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.640 32.706 -14.443 1.00 0.00 C ATOM 876 CD2 TYR A 57 78.747 34.261 -12.873 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.402 32.594 -15.045 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.505 34.154 -13.467 1.00 0.00 C ATOM 879 CZ TYR A 57 77.337 33.320 -14.553 1.00 0.00 C ATOM 880 OH TYR A 57 76.101 33.212 -15.149 1.00 0.00 O ATOM 0 H TYR A 57 80.105 33.719 -10.484 1.00 0.00 H new ATOM 0 HA TYR A 57 81.167 31.618 -12.019 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.283 34.646 -12.240 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.964 33.590 -13.461 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.471 32.136 -14.830 1.00 0.00 H new ATOM 0 HD2 TYR A 57 78.875 34.917 -12.025 1.00 0.00 H new ATOM 0 HE1 TYR A 57 78.268 31.942 -15.896 1.00 0.00 H new ATOM 0 HE2 TYR A 57 76.669 34.720 -13.083 1.00 0.00 H new ATOM 0 HH TYR A 57 75.401 33.359 -14.479 1.00 0.00 H new ATOM 890 N SER A 58 83.310 33.263 -10.217 1.00 0.00 N ATOM 891 CA SER A 58 84.700 33.316 -9.781 1.00 0.00 C ATOM 892 C SER A 58 85.579 33.963 -10.846 1.00 0.00 C ATOM 893 O SER A 58 86.595 33.400 -11.256 1.00 0.00 O ATOM 894 CB SER A 58 85.212 31.909 -9.466 1.00 0.00 C ATOM 895 OG SER A 58 86.321 31.955 -8.586 1.00 0.00 O ATOM 0 H SER A 58 82.666 33.805 -9.640 1.00 0.00 H new ATOM 0 HA SER A 58 84.749 33.923 -8.877 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.412 31.320 -9.018 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.498 31.407 -10.390 1.00 0.00 H new ATOM 0 HG SER A 58 86.628 31.043 -8.399 1.00 0.00 H new ATOM 901 N LEU A 59 85.182 35.151 -11.290 1.00 0.00 N ATOM 902 CA LEU A 59 85.933 35.877 -12.309 1.00 0.00 C ATOM 903 C LEU A 59 87.273 36.356 -11.759 1.00 0.00 C ATOM 904 O LEU A 59 87.671 35.984 -10.656 1.00 0.00 O ATOM 905 CB LEU A 59 85.121 37.070 -12.816 1.00 0.00 C ATOM 906 CG LEU A 59 83.684 36.769 -13.245 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.917 38.060 -13.484 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.672 35.901 -14.495 1.00 0.00 C ATOM 0 H LEU A 59 84.345 35.632 -10.961 1.00 0.00 H new ATOM 0 HA LEU A 59 86.124 35.197 -13.139 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.094 37.826 -12.031 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.648 37.509 -13.663 1.00 0.00 H new ATOM 0 HG LEU A 59 83.192 36.221 -12.441 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.897 37.826 -13.788 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.896 38.646 -12.565 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.407 38.634 -14.270 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.642 35.697 -14.786 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.181 36.423 -15.305 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.184 34.961 -14.290 1.00 0.00 H new ATOM 920 N MET A 60 87.962 37.186 -12.535 1.00 0.00 N ATOM 921 CA MET A 60 89.255 37.720 -12.124 1.00 0.00 C ATOM 922 C MET A 60 89.534 39.055 -12.806 1.00 0.00 C ATOM 923 O MET A 60 89.517 39.151 -14.033 1.00 0.00 O ATOM 924 CB MET A 60 90.369 36.724 -12.452 1.00 0.00 C ATOM 925 CG MET A 60 90.273 36.144 -13.853 1.00 0.00 C ATOM 926 SD MET A 60 91.639 35.033 -14.241 1.00 0.00 S ATOM 927 CE MET A 60 91.220 34.551 -15.914 1.00 0.00 C ATOM 0 H MET A 60 87.647 37.503 -13.452 1.00 0.00 H new ATOM 0 HA MET A 60 89.227 37.882 -11.046 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.333 37.220 -12.338 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.342 35.910 -11.728 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.331 35.605 -13.955 1.00 0.00 H new ATOM 0 HG3 MET A 60 90.254 36.958 -14.578 1.00 0.00 H new ATOM 0 HE1 MET A 60 91.974 33.862 -16.294 1.00 0.00 H new ATOM 0 HE2 MET A 60 90.246 34.062 -15.919 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.184 35.436 -16.549 1.00 0.00 H new ATOM 937 N GLU A 61 89.790 40.083 -12.003 1.00 0.00 N ATOM 938 CA GLU A 61 90.072 41.413 -12.531 1.00 0.00 C ATOM 939 C GLU A 61 88.874 41.955 -13.307 1.00 0.00 C ATOM 940 O GLU A 61 88.721 41.687 -14.499 1.00 0.00 O ATOM 941 CB GLU A 61 91.305 41.376 -13.436 1.00 0.00 C ATOM 942 CG GLU A 61 92.507 40.700 -12.798 1.00 0.00 C ATOM 943 CD GLU A 61 93.811 41.061 -13.484 1.00 0.00 C ATOM 944 OE1 GLU A 61 94.110 40.468 -14.541 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.532 41.937 -12.963 1.00 0.00 O ATOM 0 H GLU A 61 89.808 40.021 -10.985 1.00 0.00 H new ATOM 0 HA GLU A 61 90.268 42.076 -11.689 1.00 0.00 H new ATOM 0 HB2 GLU A 61 91.052 40.854 -14.359 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.575 42.396 -13.710 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.563 40.983 -11.747 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.371 39.619 -12.830 1.00 0.00 H new ATOM 952 N ILE A 62 88.029 42.717 -12.621 1.00 0.00 N ATOM 953 CA ILE A 62 86.846 43.297 -13.245 1.00 0.00 C ATOM 954 C ILE A 62 86.535 44.671 -12.662 1.00 0.00 C ATOM 955 O ILE A 62 86.604 44.873 -11.450 1.00 0.00 O ATOM 956 CB ILE A 62 85.615 42.387 -13.072 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.449 42.904 -13.917 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.219 42.306 -11.606 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.366 41.874 -14.147 1.00 0.00 C ATOM 0 H ILE A 62 88.141 42.947 -11.634 1.00 0.00 H new ATOM 0 HA ILE A 62 87.067 43.398 -14.308 1.00 0.00 H new ATOM 0 HB ILE A 62 85.871 41.385 -13.415 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.013 43.774 -13.426 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.831 43.240 -14.881 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.348 41.660 -11.500 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.047 41.897 -11.027 1.00 0.00 H new ATOM 0 HG23 ILE A 62 84.978 43.303 -11.239 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.572 42.310 -14.753 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.787 41.013 -14.666 1.00 0.00 H new ATOM 0 HD13 ILE A 62 82.957 41.556 -13.188 1.00 0.00 H new ATOM 971 N ASP A 63 86.190 45.613 -13.533 1.00 0.00 N ATOM 972 CA ASP A 63 85.864 46.968 -13.105 1.00 0.00 C ATOM 973 C ASP A 63 84.637 46.972 -12.198 1.00 0.00 C ATOM 974 O ASP A 63 83.629 46.331 -12.497 1.00 0.00 O ATOM 975 CB ASP A 63 85.618 47.864 -14.320 1.00 0.00 C ATOM 976 CG ASP A 63 86.556 49.055 -14.361 1.00 0.00 C ATOM 977 OD1 ASP A 63 87.785 48.840 -14.418 1.00 0.00 O ATOM 978 OD2 ASP A 63 86.061 50.201 -14.337 1.00 0.00 O ATOM 0 H ASP A 63 86.129 45.463 -14.540 1.00 0.00 H new ATOM 0 HA ASP A 63 86.711 47.358 -12.541 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.740 47.278 -15.231 1.00 0.00 H new ATOM 0 HB3 ASP A 63 84.587 48.218 -14.304 1.00 0.00 H new ATOM 983 N THR A 64 84.731 47.696 -11.088 1.00 0.00 N ATOM 984 CA THR A 64 83.630 47.782 -10.136 1.00 0.00 C ATOM 985 C THR A 64 83.112 49.210 -10.021 1.00 0.00 C ATOM 986 O THR A 64 81.914 49.434 -9.846 1.00 0.00 O ATOM 987 CB THR A 64 84.056 47.288 -8.740 1.00 0.00 C ATOM 988 OG1 THR A 64 85.466 47.467 -8.566 1.00 0.00 O ATOM 989 CG2 THR A 64 83.698 45.822 -8.552 1.00 0.00 C ATOM 0 H THR A 64 85.558 48.232 -10.825 1.00 0.00 H new ATOM 0 HA THR A 64 82.834 47.140 -10.514 1.00 0.00 H new ATOM 0 HB THR A 64 83.521 47.874 -7.993 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.728 47.152 -7.676 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.008 45.496 -7.559 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.620 45.694 -8.655 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.208 45.223 -9.307 1.00 0.00 H new ATOM 997 N SER A 65 84.021 50.175 -10.122 1.00 0.00 N ATOM 998 CA SER A 65 83.654 51.583 -10.027 1.00 0.00 C ATOM 999 C SER A 65 82.584 51.937 -11.055 1.00 0.00 C ATOM 1000 O SER A 65 81.790 52.855 -10.850 1.00 0.00 O ATOM 1001 CB SER A 65 84.886 52.467 -10.232 1.00 0.00 C ATOM 1002 OG SER A 65 85.590 52.651 -9.016 1.00 0.00 O ATOM 0 H SER A 65 85.016 50.007 -10.270 1.00 0.00 H new ATOM 0 HA SER A 65 83.249 51.761 -9.031 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.545 52.012 -10.972 1.00 0.00 H new ATOM 0 HB3 SER A 65 84.581 53.435 -10.629 1.00 0.00 H new ATOM 0 HG SER A 65 86.374 53.218 -9.174 1.00 0.00 H new ATOM 1008 N PHE A 66 82.569 51.201 -12.161 1.00 0.00 N ATOM 1009 CA PHE A 66 81.597 51.437 -13.223 1.00 0.00 C ATOM 1010 C PHE A 66 80.219 50.917 -12.824 1.00 0.00 C ATOM 1011 O PHE A 66 79.196 51.409 -13.301 1.00 0.00 O ATOM 1012 CB PHE A 66 82.053 50.763 -14.519 1.00 0.00 C ATOM 1013 CG PHE A 66 82.084 51.693 -15.699 1.00 0.00 C ATOM 1014 CD1 PHE A 66 82.945 52.778 -15.719 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.253 51.481 -16.786 1.00 0.00 C ATOM 1016 CE1 PHE A 66 82.975 53.635 -16.803 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.279 52.335 -17.873 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.142 53.413 -17.882 1.00 0.00 C ATOM 0 H PHE A 66 83.218 50.436 -12.346 1.00 0.00 H new ATOM 0 HA PHE A 66 81.527 52.513 -13.386 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.048 50.344 -14.371 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.386 49.930 -14.740 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.600 52.956 -14.879 1.00 0.00 H new ATOM 0 HD2 PHE A 66 80.577 50.639 -16.785 1.00 0.00 H new ATOM 0 HE1 PHE A 66 83.650 54.478 -16.806 1.00 0.00 H new ATOM 0 HE2 PHE A 66 80.625 52.159 -18.714 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.165 54.081 -18.731 1.00 0.00 H new ATOM 1028 N PHE A 67 80.201 49.919 -11.946 1.00 0.00 N ATOM 1029 CA PHE A 67 78.949 49.331 -11.484 1.00 0.00 C ATOM 1030 C PHE A 67 78.698 49.671 -10.018 1.00 0.00 C ATOM 1031 O PHE A 67 78.014 48.934 -9.308 1.00 0.00 O ATOM 1032 CB PHE A 67 78.976 47.812 -11.670 1.00 0.00 C ATOM 1033 CG PHE A 67 79.471 47.382 -13.021 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.670 47.522 -14.143 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.736 46.837 -13.169 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.123 47.128 -15.388 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.194 46.442 -14.412 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.386 46.586 -15.522 1.00 0.00 C ATOM 0 H PHE A 67 81.039 49.501 -11.541 1.00 0.00 H new ATOM 0 HA PHE A 67 78.138 49.749 -12.080 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.612 47.371 -10.902 1.00 0.00 H new ATOM 0 HB3 PHE A 67 77.971 47.417 -11.518 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.681 47.944 -14.044 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.371 46.719 -12.304 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.490 47.244 -16.255 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.183 46.021 -14.515 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.741 46.275 -16.494 1.00 0.00 H new ATOM 1048 N GLN A 68 79.257 50.791 -9.572 1.00 0.00 N ATOM 1049 CA GLN A 68 79.094 51.228 -8.190 1.00 0.00 C ATOM 1050 C GLN A 68 77.845 52.089 -8.035 1.00 0.00 C ATOM 1051 O GLN A 68 77.199 52.079 -6.988 1.00 0.00 O ATOM 1052 CB GLN A 68 80.327 52.010 -7.732 1.00 0.00 C ATOM 1053 CG GLN A 68 80.419 53.405 -8.329 1.00 0.00 C ATOM 1054 CD GLN A 68 81.824 53.972 -8.273 1.00 0.00 C ATOM 1055 OE1 GLN A 68 82.672 53.485 -7.525 1.00 0.00 O ATOM 1056 NE2 GLN A 68 82.077 55.006 -9.066 1.00 0.00 N ATOM 0 H GLN A 68 79.826 51.412 -10.147 1.00 0.00 H new ATOM 0 HA GLN A 68 78.982 50.342 -7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.314 52.089 -6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.223 51.449 -8.000 1.00 0.00 H new ATOM 0 HG2 GLN A 68 80.084 53.375 -9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.741 54.070 -7.794 1.00 0.00 H new ATOM 0 HE21 GLN A 68 81.343 55.377 -9.670 1.00 0.00 H new ATOM 0 HE22 GLN A 68 83.005 55.429 -9.072 1.00 0.00 H new ATOM 1065 N ASN A 69 77.511 52.833 -9.085 1.00 0.00 N ATOM 1066 CA ASN A 69 76.338 53.700 -9.064 1.00 0.00 C ATOM 1067 C ASN A 69 75.849 53.986 -10.481 1.00 0.00 C ATOM 1068 O ASN A 69 75.719 55.143 -10.882 1.00 0.00 O ATOM 1069 CB ASN A 69 76.663 55.014 -8.350 1.00 0.00 C ATOM 1070 CG ASN A 69 75.421 55.709 -7.826 1.00 0.00 C ATOM 1071 OD1 ASN A 69 75.210 55.637 -6.517 1.00 0.00 O flip ATOM 1072 ND2 ASN A 69 74.660 56.304 -8.590 1.00 0.00 N flip ATOM 0 H ASN A 69 78.035 52.853 -9.960 1.00 0.00 H new ATOM 0 HA ASN A 69 75.545 53.185 -8.521 1.00 0.00 H new ATOM 0 HB2 ASN A 69 77.342 54.816 -7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 69 77.185 55.679 -9.038 1.00 0.00 H new ATOM 0 HD21 ASN A 69 74.861 56.334 -9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 69 73.828 56.767 -8.223 1.00 0.00 H new ATOM 1079 N MET A 70 75.578 52.925 -11.233 1.00 0.00 N ATOM 1080 CA MET A 70 75.101 53.062 -12.604 1.00 0.00 C ATOM 1081 C MET A 70 73.638 52.643 -12.715 1.00 0.00 C ATOM 1082 O MET A 70 73.218 51.656 -12.110 1.00 0.00 O ATOM 1083 CB MET A 70 75.958 52.221 -13.552 1.00 0.00 C ATOM 1084 CG MET A 70 75.516 52.302 -15.004 1.00 0.00 C ATOM 1085 SD MET A 70 76.893 52.587 -16.134 1.00 0.00 S ATOM 1086 CE MET A 70 77.633 50.957 -16.184 1.00 0.00 C ATOM 0 H MET A 70 75.680 51.961 -10.916 1.00 0.00 H new ATOM 0 HA MET A 70 75.183 54.111 -12.887 1.00 0.00 H new ATOM 0 HB2 MET A 70 76.995 52.548 -13.478 1.00 0.00 H new ATOM 0 HB3 MET A 70 75.928 51.180 -13.229 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.011 51.376 -15.278 1.00 0.00 H new ATOM 0 HG3 MET A 70 74.788 53.106 -15.114 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.568 50.999 -16.742 1.00 0.00 H new ATOM 0 HE2 MET A 70 77.832 50.616 -15.168 1.00 0.00 H new ATOM 0 HE3 MET A 70 76.950 50.262 -16.672 1.00 0.00 H new ATOM 1096 N ASP A 71 72.868 53.397 -13.491 1.00 0.00 N ATOM 1097 CA ASP A 71 71.453 53.103 -13.682 1.00 0.00 C ATOM 1098 C ASP A 71 71.268 51.780 -14.419 1.00 0.00 C ATOM 1099 O ASP A 71 71.975 51.490 -15.383 1.00 0.00 O ATOM 1100 CB ASP A 71 70.775 54.233 -14.459 1.00 0.00 C ATOM 1101 CG ASP A 71 71.232 55.604 -14.002 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.059 55.920 -12.806 1.00 0.00 O ATOM 1103 OD2 ASP A 71 71.763 56.362 -14.841 1.00 0.00 O ATOM 0 H ASP A 71 73.200 54.217 -13.998 1.00 0.00 H new ATOM 0 HA ASP A 71 70.989 53.019 -12.699 1.00 0.00 H new ATOM 0 HB2 ASP A 71 70.988 54.118 -15.522 1.00 0.00 H new ATOM 0 HB3 ASP A 71 69.694 54.155 -14.340 1.00 0.00 H new ATOM 1108 N GLY A 72 70.311 50.980 -13.957 1.00 0.00 N ATOM 1109 CA GLY A 72 70.051 49.697 -14.583 1.00 0.00 C ATOM 1110 C GLY A 72 69.820 49.817 -16.076 1.00 0.00 C ATOM 1111 O GLY A 72 70.065 48.873 -16.828 1.00 0.00 O ATOM 0 H GLY A 72 69.712 51.198 -13.161 1.00 0.00 H new ATOM 0 HA2 GLY A 72 70.894 49.030 -14.401 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.177 49.240 -14.119 1.00 0.00 H new ATOM 1115 N LYS A 73 69.344 50.980 -16.508 1.00 0.00 N ATOM 1116 CA LYS A 73 69.079 51.221 -17.922 1.00 0.00 C ATOM 1117 C LYS A 73 70.380 51.296 -18.714 1.00 0.00 C ATOM 1118 O LYS A 73 70.426 50.921 -19.885 1.00 0.00 O ATOM 1119 CB LYS A 73 68.285 52.517 -18.099 1.00 0.00 C ATOM 1120 CG LYS A 73 66.857 52.297 -18.567 1.00 0.00 C ATOM 1121 CD LYS A 73 66.709 52.572 -20.053 1.00 0.00 C ATOM 1122 CE LYS A 73 65.382 53.248 -20.365 1.00 0.00 C ATOM 1123 NZ LYS A 73 65.269 53.609 -21.806 1.00 0.00 N ATOM 0 H LYS A 73 69.134 51.771 -15.899 1.00 0.00 H new ATOM 0 HA LYS A 73 68.490 50.387 -18.304 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.269 53.055 -17.151 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.800 53.153 -18.819 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.558 51.271 -18.354 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.185 52.948 -18.007 1.00 0.00 H new ATOM 0 HD2 LYS A 73 67.529 53.205 -20.390 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.781 51.636 -20.606 1.00 0.00 H new ATOM 0 HE2 LYS A 73 64.563 52.583 -20.092 1.00 0.00 H new ATOM 0 HE3 LYS A 73 65.280 54.146 -19.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 64.351 54.067 -21.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 66.036 54.263 -22.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 65.341 52.749 -22.386 1.00 0.00 H new ATOM 1137 N GLU A 74 71.435 51.783 -18.067 1.00 0.00 N ATOM 1138 CA GLU A 74 72.736 51.907 -18.713 1.00 0.00 C ATOM 1139 C GLU A 74 73.365 50.535 -18.937 1.00 0.00 C ATOM 1140 O GLU A 74 74.007 50.292 -19.959 1.00 0.00 O ATOM 1141 CB GLU A 74 73.669 52.776 -17.868 1.00 0.00 C ATOM 1142 CG GLU A 74 73.803 54.201 -18.379 1.00 0.00 C ATOM 1143 CD GLU A 74 74.638 55.074 -17.462 1.00 0.00 C ATOM 1144 OE1 GLU A 74 74.096 55.555 -16.445 1.00 0.00 O ATOM 1145 OE2 GLU A 74 75.833 55.276 -17.762 1.00 0.00 O ATOM 0 H GLU A 74 71.414 52.098 -17.097 1.00 0.00 H new ATOM 0 HA GLU A 74 72.588 52.382 -19.683 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.300 52.800 -16.843 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.656 52.314 -17.841 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.255 54.186 -19.371 1.00 0.00 H new ATOM 0 HG3 GLU A 74 72.811 54.639 -18.487 1.00 0.00 H new ATOM 1152 N LEU A 75 73.177 49.640 -17.973 1.00 0.00 N ATOM 1153 CA LEU A 75 73.726 48.292 -18.062 1.00 0.00 C ATOM 1154 C LEU A 75 73.317 47.623 -19.371 1.00 0.00 C ATOM 1155 O LEU A 75 74.055 46.802 -19.917 1.00 0.00 O ATOM 1156 CB LEU A 75 73.254 47.448 -16.877 1.00 0.00 C ATOM 1157 CG LEU A 75 74.332 47.040 -15.872 1.00 0.00 C ATOM 1158 CD1 LEU A 75 75.045 48.267 -15.326 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.724 46.226 -14.739 1.00 0.00 C ATOM 0 H LEU A 75 72.648 49.824 -17.120 1.00 0.00 H new ATOM 0 HA LEU A 75 74.813 48.367 -18.037 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.482 48.004 -16.345 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.786 46.543 -17.265 1.00 0.00 H new ATOM 0 HG LEU A 75 75.065 46.419 -16.387 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.808 47.957 -14.613 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.514 48.810 -16.146 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.324 48.915 -14.827 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.506 45.944 -14.033 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.970 46.823 -14.226 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.260 45.327 -15.145 1.00 0.00 H new ATOM 1171 N CYS A 76 72.140 47.982 -19.870 1.00 0.00 N ATOM 1172 CA CYS A 76 71.633 47.418 -21.116 1.00 0.00 C ATOM 1173 C CYS A 76 72.339 48.036 -22.319 1.00 0.00 C ATOM 1174 O CYS A 76 72.695 47.339 -23.269 1.00 0.00 O ATOM 1175 CB CYS A 76 70.124 47.641 -21.225 1.00 0.00 C ATOM 1176 SG CYS A 76 69.189 47.082 -19.782 1.00 0.00 S ATOM 0 H CYS A 76 71.518 48.661 -19.431 1.00 0.00 H new ATOM 0 HA CYS A 76 71.835 46.347 -21.110 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.935 48.703 -21.378 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.754 47.121 -22.108 1.00 0.00 H new ATOM 0 HG CYS A 76 69.536 47.781 -18.742 1.00 0.00 H new ATOM 1182 N LYS A 77 72.537 49.349 -22.272 1.00 0.00 N ATOM 1183 CA LYS A 77 73.199 50.063 -23.357 1.00 0.00 C ATOM 1184 C LYS A 77 74.608 49.523 -23.583 1.00 0.00 C ATOM 1185 O LYS A 77 75.117 49.543 -24.703 1.00 0.00 O ATOM 1186 CB LYS A 77 73.260 51.561 -23.047 1.00 0.00 C ATOM 1187 CG LYS A 77 71.932 52.274 -23.235 1.00 0.00 C ATOM 1188 CD LYS A 77 71.954 53.664 -22.621 1.00 0.00 C ATOM 1189 CE LYS A 77 71.669 54.737 -23.660 1.00 0.00 C ATOM 1190 NZ LYS A 77 70.216 54.831 -23.976 1.00 0.00 N ATOM 0 H LYS A 77 72.248 49.941 -21.493 1.00 0.00 H new ATOM 0 HA LYS A 77 72.619 49.909 -24.267 1.00 0.00 H new ATOM 0 HB2 LYS A 77 73.594 51.698 -22.019 1.00 0.00 H new ATOM 0 HB3 LYS A 77 74.007 52.027 -23.689 1.00 0.00 H new ATOM 0 HG2 LYS A 77 71.705 52.349 -24.299 1.00 0.00 H new ATOM 0 HG3 LYS A 77 71.135 51.687 -22.780 1.00 0.00 H new ATOM 0 HD2 LYS A 77 71.213 53.722 -21.824 1.00 0.00 H new ATOM 0 HD3 LYS A 77 72.927 53.846 -22.166 1.00 0.00 H new ATOM 0 HE2 LYS A 77 72.024 55.700 -23.294 1.00 0.00 H new ATOM 0 HE3 LYS A 77 72.225 54.517 -24.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 70.063 55.573 -24.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 69.882 53.919 -24.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 69.687 55.066 -23.112 1.00 0.00 H new ATOM 1204 N MET A 78 75.231 49.040 -22.513 1.00 0.00 N ATOM 1205 CA MET A 78 76.580 48.492 -22.597 1.00 0.00 C ATOM 1206 C MET A 78 76.615 47.273 -23.513 1.00 0.00 C ATOM 1207 O MET A 78 76.047 46.229 -23.194 1.00 0.00 O ATOM 1208 CB MET A 78 77.087 48.114 -21.205 1.00 0.00 C ATOM 1209 CG MET A 78 77.227 49.301 -20.266 1.00 0.00 C ATOM 1210 SD MET A 78 78.299 48.951 -18.859 1.00 0.00 S ATOM 1211 CE MET A 78 79.877 48.737 -19.680 1.00 0.00 C ATOM 0 H MET A 78 74.824 49.017 -21.578 1.00 0.00 H new ATOM 0 HA MET A 78 77.232 49.258 -23.017 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.403 47.390 -20.762 1.00 0.00 H new ATOM 0 HB3 MET A 78 78.054 47.621 -21.301 1.00 0.00 H new ATOM 0 HG2 MET A 78 77.626 50.152 -20.819 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.241 49.591 -19.903 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.627 48.427 -18.952 1.00 0.00 H new ATOM 0 HE2 MET A 78 79.785 47.974 -20.453 1.00 0.00 H new ATOM 0 HE3 MET A 78 80.181 49.680 -20.135 1.00 0.00 H new ATOM 1221 N ASN A 79 77.286 47.412 -24.652 1.00 0.00 N ATOM 1222 CA ASN A 79 77.394 46.322 -25.614 1.00 0.00 C ATOM 1223 C ASN A 79 78.728 45.596 -25.467 1.00 0.00 C ATOM 1224 O ASN A 79 79.486 45.851 -24.530 1.00 0.00 O ATOM 1225 CB ASN A 79 77.245 46.855 -27.040 1.00 0.00 C ATOM 1226 CG ASN A 79 76.214 46.084 -27.841 1.00 0.00 C ATOM 1227 OD1 ASN A 79 75.010 46.272 -27.669 1.00 0.00 O ATOM 1228 ND2 ASN A 79 76.684 45.209 -28.723 1.00 0.00 N ATOM 0 H ASN A 79 77.763 48.269 -24.931 1.00 0.00 H new ATOM 0 HA ASN A 79 76.591 45.613 -25.413 1.00 0.00 H new ATOM 0 HB2 ASN A 79 76.961 47.907 -27.004 1.00 0.00 H new ATOM 0 HB3 ASN A 79 78.208 46.802 -27.547 1.00 0.00 H new ATOM 0 HD21 ASN A 79 76.038 44.660 -29.291 1.00 0.00 H new ATOM 0 HD22 ASN A 79 77.691 45.086 -28.832 1.00 0.00 H new ATOM 1235 N LYS A 80 79.010 44.692 -26.398 1.00 0.00 N ATOM 1236 CA LYS A 80 80.253 43.931 -26.375 1.00 0.00 C ATOM 1237 C LYS A 80 81.459 44.861 -26.286 1.00 0.00 C ATOM 1238 O LYS A 80 82.481 44.510 -25.698 1.00 0.00 O ATOM 1239 CB LYS A 80 80.362 43.056 -27.626 1.00 0.00 C ATOM 1240 CG LYS A 80 81.224 41.820 -27.430 1.00 0.00 C ATOM 1241 CD LYS A 80 80.382 40.601 -27.094 1.00 0.00 C ATOM 1242 CE LYS A 80 81.034 39.319 -27.591 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.110 38.522 -28.444 1.00 0.00 N ATOM 0 H LYS A 80 78.394 44.468 -27.179 1.00 0.00 H new ATOM 0 HA LYS A 80 80.243 43.293 -25.492 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.362 42.747 -27.931 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.774 43.651 -28.441 1.00 0.00 H new ATOM 0 HG2 LYS A 80 81.798 41.628 -28.336 1.00 0.00 H new ATOM 0 HG3 LYS A 80 81.942 41.999 -26.630 1.00 0.00 H new ATOM 0 HD2 LYS A 80 80.238 40.543 -26.015 1.00 0.00 H new ATOM 0 HD3 LYS A 80 79.394 40.705 -27.542 1.00 0.00 H new ATOM 0 HE2 LYS A 80 81.932 39.564 -28.159 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.350 38.718 -26.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.207 37.513 -28.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.130 38.825 -28.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 80.347 38.671 -29.446 1.00 0.00 H new ATOM 1257 N GLU A 81 81.330 46.047 -26.871 1.00 0.00 N ATOM 1258 CA GLU A 81 82.410 47.027 -26.856 1.00 0.00 C ATOM 1259 C GLU A 81 82.447 47.775 -25.526 1.00 0.00 C ATOM 1260 O GLU A 81 83.481 47.826 -24.859 1.00 0.00 O ATOM 1261 CB GLU A 81 82.244 48.020 -28.008 1.00 0.00 C ATOM 1262 CG GLU A 81 82.112 47.357 -29.369 1.00 0.00 C ATOM 1263 CD GLU A 81 82.539 48.266 -30.504 1.00 0.00 C ATOM 1264 OE1 GLU A 81 81.999 49.388 -30.600 1.00 0.00 O ATOM 1265 OE2 GLU A 81 83.412 47.856 -31.297 1.00 0.00 O ATOM 0 H GLU A 81 80.489 46.353 -27.361 1.00 0.00 H new ATOM 0 HA GLU A 81 83.352 46.493 -26.980 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.361 48.632 -27.824 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.101 48.693 -28.023 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.717 46.450 -29.387 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.077 47.053 -29.522 1.00 0.00 H new ATOM 1272 N ASP A 82 81.313 48.354 -25.148 1.00 0.00 N ATOM 1273 CA ASP A 82 81.215 49.099 -23.899 1.00 0.00 C ATOM 1274 C ASP A 82 81.712 48.261 -22.725 1.00 0.00 C ATOM 1275 O ASP A 82 82.459 48.745 -21.875 1.00 0.00 O ATOM 1276 CB ASP A 82 79.770 49.537 -23.653 1.00 0.00 C ATOM 1277 CG ASP A 82 79.214 50.366 -24.795 1.00 0.00 C ATOM 1278 OD1 ASP A 82 80.003 51.082 -25.446 1.00 0.00 O ATOM 1279 OD2 ASP A 82 77.990 50.299 -25.036 1.00 0.00 O ATOM 0 H ASP A 82 80.449 48.322 -25.689 1.00 0.00 H new ATOM 0 HA ASP A 82 81.846 49.984 -23.983 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.145 48.655 -23.510 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.721 50.115 -22.730 1.00 0.00 H new ATOM 1284 N PHE A 83 81.290 47.001 -22.684 1.00 0.00 N ATOM 1285 CA PHE A 83 81.691 46.095 -21.614 1.00 0.00 C ATOM 1286 C PHE A 83 83.164 45.721 -21.741 1.00 0.00 C ATOM 1287 O PHE A 83 83.857 45.528 -20.741 1.00 0.00 O ATOM 1288 CB PHE A 83 80.828 44.832 -21.637 1.00 0.00 C ATOM 1289 CG PHE A 83 79.576 44.946 -20.815 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.640 45.280 -19.472 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.334 44.720 -21.386 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.490 45.387 -18.713 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.180 44.826 -20.633 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.258 45.158 -19.295 1.00 0.00 C ATOM 0 H PHE A 83 80.671 46.585 -23.379 1.00 0.00 H new ATOM 0 HA PHE A 83 81.546 46.609 -20.664 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.557 44.606 -22.668 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.418 43.992 -21.271 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.601 45.459 -19.012 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.267 44.458 -22.432 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.554 45.649 -17.667 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.218 44.649 -21.091 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.357 45.239 -18.704 1.00 0.00 H new ATOM 1304 N LEU A 84 83.638 45.618 -22.978 1.00 0.00 N ATOM 1305 CA LEU A 84 85.029 45.266 -23.239 1.00 0.00 C ATOM 1306 C LEU A 84 85.976 46.256 -22.567 1.00 0.00 C ATOM 1307 O LEU A 84 87.112 45.916 -22.236 1.00 0.00 O ATOM 1308 CB LEU A 84 85.294 45.231 -24.745 1.00 0.00 C ATOM 1309 CG LEU A 84 85.333 43.844 -25.387 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.219 43.954 -26.900 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.609 43.112 -24.998 1.00 0.00 C ATOM 0 H LEU A 84 83.079 45.773 -23.817 1.00 0.00 H new ATOM 0 HA LEU A 84 85.212 44.276 -22.822 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.523 45.819 -25.243 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.246 45.726 -24.938 1.00 0.00 H new ATOM 0 HG LEU A 84 84.483 43.270 -25.019 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.249 42.957 -27.341 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.277 44.438 -27.160 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.049 44.546 -27.285 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.620 42.127 -25.464 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.474 43.683 -25.337 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.649 43.001 -23.914 1.00 0.00 H new ATOM 1323 N ARG A 85 85.500 47.480 -22.368 1.00 0.00 N ATOM 1324 CA ARG A 85 86.303 48.519 -21.735 1.00 0.00 C ATOM 1325 C ARG A 85 86.422 48.275 -20.233 1.00 0.00 C ATOM 1326 O ARG A 85 87.440 48.596 -19.620 1.00 0.00 O ATOM 1327 CB ARG A 85 85.689 49.896 -21.992 1.00 0.00 C ATOM 1328 CG ARG A 85 85.625 50.270 -23.463 1.00 0.00 C ATOM 1329 CD ARG A 85 84.641 51.403 -23.709 1.00 0.00 C ATOM 1330 NE ARG A 85 84.420 51.637 -25.133 1.00 0.00 N ATOM 1331 CZ ARG A 85 85.267 52.303 -25.909 1.00 0.00 C ATOM 1332 NH1 ARG A 85 86.387 52.799 -25.400 1.00 0.00 N ATOM 1333 NH2 ARG A 85 84.995 52.475 -27.196 1.00 0.00 N ATOM 0 H ARG A 85 84.562 47.777 -22.636 1.00 0.00 H new ATOM 0 HA ARG A 85 87.301 48.487 -22.171 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.682 49.918 -21.576 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.270 50.649 -21.460 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.616 50.566 -23.807 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.332 49.399 -24.048 1.00 0.00 H new ATOM 0 HD2 ARG A 85 83.691 51.169 -23.229 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.016 52.316 -23.246 1.00 0.00 H new ATOM 0 HE ARG A 85 83.568 51.268 -25.555 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.599 52.669 -24.411 1.00 0.00 H new ATOM 0 HH12 ARG A 85 87.036 53.310 -25.998 1.00 0.00 H new ATOM 0 HH21 ARG A 85 84.134 52.095 -27.591 1.00 0.00 H new ATOM 0 HH22 ARG A 85 85.646 52.987 -27.791 1.00 0.00 H new ATOM 1347 N ALA A 86 85.374 47.706 -19.647 1.00 0.00 N ATOM 1348 CA ALA A 86 85.361 47.417 -18.218 1.00 0.00 C ATOM 1349 C ALA A 86 86.070 46.101 -17.917 1.00 0.00 C ATOM 1350 O ALA A 86 86.836 46.001 -16.958 1.00 0.00 O ATOM 1351 CB ALA A 86 83.931 47.379 -17.700 1.00 0.00 C ATOM 0 H ALA A 86 84.523 47.436 -20.140 1.00 0.00 H new ATOM 0 HA ALA A 86 85.900 48.215 -17.707 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.937 47.162 -16.632 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.456 48.345 -17.872 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.374 46.603 -18.225 1.00 0.00 H new ATOM 1357 N THR A 87 85.810 45.092 -18.743 1.00 0.00 N ATOM 1358 CA THR A 87 86.422 43.781 -18.564 1.00 0.00 C ATOM 1359 C THR A 87 86.774 43.151 -19.906 1.00 0.00 C ATOM 1360 O THR A 87 86.432 43.683 -20.963 1.00 0.00 O ATOM 1361 CB THR A 87 85.491 42.828 -17.791 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.195 41.630 -17.445 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.264 42.480 -18.619 1.00 0.00 C ATOM 0 H THR A 87 85.180 45.158 -19.542 1.00 0.00 H new ATOM 0 HA THR A 87 87.334 43.934 -17.987 1.00 0.00 H new ATOM 0 HB THR A 87 85.164 43.333 -16.882 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.957 41.853 -16.871 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.622 41.806 -18.052 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.715 43.391 -18.856 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.575 41.993 -19.543 1.00 0.00 H new ATOM 1371 N THR A 88 87.460 42.013 -19.859 1.00 0.00 N ATOM 1372 CA THR A 88 87.859 41.310 -21.072 1.00 0.00 C ATOM 1373 C THR A 88 86.655 40.684 -21.766 1.00 0.00 C ATOM 1374 O THR A 88 85.548 40.676 -21.225 1.00 0.00 O ATOM 1375 CB THR A 88 88.892 40.209 -20.769 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.268 39.133 -20.059 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.047 40.762 -19.948 1.00 0.00 C ATOM 0 H THR A 88 87.751 41.559 -18.993 1.00 0.00 H new ATOM 0 HA THR A 88 88.311 42.050 -21.732 1.00 0.00 H new ATOM 0 HB THR A 88 89.284 39.839 -21.716 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.931 38.436 -19.872 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.764 39.966 -19.746 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.538 41.561 -20.503 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.667 41.156 -19.005 1.00 0.00 H new ATOM 1385 N LEU A 89 86.876 40.160 -22.966 1.00 0.00 N ATOM 1386 CA LEU A 89 85.809 39.530 -23.735 1.00 0.00 C ATOM 1387 C LEU A 89 85.286 38.286 -23.024 1.00 0.00 C ATOM 1388 O LEU A 89 84.080 38.043 -22.982 1.00 0.00 O ATOM 1389 CB LEU A 89 86.309 39.159 -25.132 1.00 0.00 C ATOM 1390 CG LEU A 89 85.257 39.150 -26.242 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.180 38.118 -25.947 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.644 40.533 -26.406 1.00 0.00 C ATOM 0 H LEU A 89 87.785 40.159 -23.428 1.00 0.00 H new ATOM 0 HA LEU A 89 84.992 40.245 -23.826 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.097 39.858 -25.412 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.764 38.170 -25.082 1.00 0.00 H new ATOM 0 HG LEU A 89 85.745 38.878 -27.178 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.440 38.126 -26.747 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.633 37.129 -25.881 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.694 38.359 -25.001 1.00 0.00 H new ATOM 0 HD21 LEU A 89 83.898 40.508 -27.200 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.170 40.834 -25.472 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.425 41.249 -26.664 1.00 0.00 H new ATOM 1404 N TYR A 90 86.201 37.503 -22.463 1.00 0.00 N ATOM 1405 CA TYR A 90 85.833 36.284 -21.753 1.00 0.00 C ATOM 1406 C TYR A 90 84.847 36.586 -20.628 1.00 0.00 C ATOM 1407 O TYR A 90 84.005 35.757 -20.287 1.00 0.00 O ATOM 1408 CB TYR A 90 87.079 35.603 -21.185 1.00 0.00 C ATOM 1409 CG TYR A 90 86.771 34.413 -20.306 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.532 34.572 -18.946 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.720 33.129 -20.834 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.251 33.487 -18.138 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.439 32.038 -20.034 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.205 32.222 -18.687 1.00 0.00 C ATOM 1415 OH TYR A 90 85.925 31.139 -17.886 1.00 0.00 O ATOM 0 H TYR A 90 87.203 37.691 -22.486 1.00 0.00 H new ATOM 0 HA TYR A 90 85.352 35.611 -22.463 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.714 35.280 -22.010 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.650 36.331 -20.609 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.567 35.561 -18.513 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.903 32.981 -21.888 1.00 0.00 H new ATOM 0 HE1 TYR A 90 86.068 33.628 -17.083 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.403 31.047 -20.461 1.00 0.00 H new ATOM 0 HH TYR A 90 85.929 30.322 -18.427 1.00 0.00 H new ATOM 1425 N ASN A 91 84.961 37.780 -20.055 1.00 0.00 N ATOM 1426 CA ASN A 91 84.081 38.193 -18.968 1.00 0.00 C ATOM 1427 C ASN A 91 82.829 38.875 -19.511 1.00 0.00 C ATOM 1428 O ASN A 91 81.732 38.702 -18.978 1.00 0.00 O ATOM 1429 CB ASN A 91 84.819 39.137 -18.017 1.00 0.00 C ATOM 1430 CG ASN A 91 85.539 38.395 -16.908 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.213 37.248 -16.600 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.523 39.048 -16.302 1.00 0.00 N ATOM 0 H ASN A 91 85.654 38.478 -20.325 1.00 0.00 H new ATOM 0 HA ASN A 91 83.778 37.301 -18.420 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.540 39.727 -18.583 1.00 0.00 H new ATOM 0 HB3 ASN A 91 84.107 39.837 -17.579 1.00 0.00 H new ATOM 0 HD21 ASN A 91 87.044 38.600 -15.548 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.759 39.998 -16.591 1.00 0.00 H new ATOM 1439 N THR A 92 83.000 39.653 -20.576 1.00 0.00 N ATOM 1440 CA THR A 92 81.886 40.362 -21.191 1.00 0.00 C ATOM 1441 C THR A 92 80.797 39.394 -21.638 1.00 0.00 C ATOM 1442 O THR A 92 79.611 39.720 -21.601 1.00 0.00 O ATOM 1443 CB THR A 92 82.348 41.192 -22.404 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.321 42.159 -21.993 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.170 41.896 -23.059 1.00 0.00 C ATOM 0 H THR A 92 83.900 39.807 -21.030 1.00 0.00 H new ATOM 0 HA THR A 92 81.483 41.033 -20.433 1.00 0.00 H new ATOM 0 HB THR A 92 82.795 40.514 -23.132 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.138 41.700 -21.706 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.521 42.476 -23.913 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.445 41.155 -23.397 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.698 42.563 -22.338 1.00 0.00 H new ATOM 1453 N GLU A 93 81.208 38.201 -22.058 1.00 0.00 N ATOM 1454 CA GLU A 93 80.265 37.186 -22.512 1.00 0.00 C ATOM 1455 C GLU A 93 79.500 36.588 -21.335 1.00 0.00 C ATOM 1456 O GLU A 93 78.366 36.132 -21.484 1.00 0.00 O ATOM 1457 CB GLU A 93 81.000 36.079 -23.271 1.00 0.00 C ATOM 1458 CG GLU A 93 81.725 36.570 -24.513 1.00 0.00 C ATOM 1459 CD GLU A 93 81.524 35.655 -25.706 1.00 0.00 C ATOM 1460 OE1 GLU A 93 81.999 34.501 -25.654 1.00 0.00 O ATOM 1461 OE2 GLU A 93 80.892 36.092 -26.690 1.00 0.00 O ATOM 0 H GLU A 93 82.186 37.914 -22.093 1.00 0.00 H new ATOM 0 HA GLU A 93 79.551 37.665 -23.182 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.721 35.608 -22.602 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.283 35.310 -23.559 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.372 37.570 -24.764 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.790 36.652 -24.298 1.00 0.00 H new ATOM 1468 N VAL A 94 80.129 36.595 -20.164 1.00 0.00 N ATOM 1469 CA VAL A 94 79.508 36.054 -18.960 1.00 0.00 C ATOM 1470 C VAL A 94 78.508 37.040 -18.368 1.00 0.00 C ATOM 1471 O VAL A 94 77.569 36.648 -17.674 1.00 0.00 O ATOM 1472 CB VAL A 94 80.563 35.706 -17.893 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.896 35.149 -16.645 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.579 34.720 -18.450 1.00 0.00 C ATOM 0 H VAL A 94 81.067 36.969 -20.023 1.00 0.00 H new ATOM 0 HA VAL A 94 78.986 35.144 -19.254 1.00 0.00 H new ATOM 0 HB VAL A 94 81.091 36.619 -17.617 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.657 34.909 -15.902 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.211 35.892 -16.236 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.341 34.246 -16.901 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.317 34.485 -17.683 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.070 33.806 -18.755 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.080 35.161 -19.312 1.00 0.00 H new ATOM 1484 N LEU A 95 78.714 38.323 -18.646 1.00 0.00 N ATOM 1485 CA LEU A 95 77.829 39.367 -18.141 1.00 0.00 C ATOM 1486 C LEU A 95 76.645 39.577 -19.078 1.00 0.00 C ATOM 1487 O LEU A 95 75.489 39.442 -18.675 1.00 0.00 O ATOM 1488 CB LEU A 95 78.600 40.678 -17.972 1.00 0.00 C ATOM 1489 CG LEU A 95 79.818 40.626 -17.050 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.582 41.940 -17.101 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.394 40.308 -15.623 1.00 0.00 C ATOM 0 H LEU A 95 79.486 38.665 -19.218 1.00 0.00 H new ATOM 0 HA LEU A 95 77.448 39.049 -17.171 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.928 41.013 -18.956 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.913 41.434 -17.591 1.00 0.00 H new ATOM 0 HG LEU A 95 80.479 39.831 -17.397 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.446 41.885 -16.438 1.00 0.00 H new ATOM 0 HD12 LEU A 95 80.918 42.126 -18.121 1.00 0.00 H new ATOM 0 HD13 LEU A 95 79.930 42.753 -16.780 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.274 40.275 -14.981 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.712 41.080 -15.265 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.891 39.341 -15.600 1.00 0.00 H new ATOM 1503 N LEU A 96 76.939 39.906 -20.331 1.00 0.00 N ATOM 1504 CA LEU A 96 75.899 40.133 -21.328 1.00 0.00 C ATOM 1505 C LEU A 96 74.936 38.951 -21.388 1.00 0.00 C ATOM 1506 O LEU A 96 73.721 39.121 -21.283 1.00 0.00 O ATOM 1507 CB LEU A 96 76.525 40.366 -22.704 1.00 0.00 C ATOM 1508 CG LEU A 96 75.629 41.042 -23.743 1.00 0.00 C ATOM 1509 CD1 LEU A 96 75.237 42.437 -23.283 1.00 0.00 C ATOM 1510 CD2 LEU A 96 76.329 41.099 -25.093 1.00 0.00 C ATOM 0 H LEU A 96 77.890 40.022 -20.681 1.00 0.00 H new ATOM 0 HA LEU A 96 75.338 41.021 -21.037 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.421 40.974 -22.575 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.847 39.404 -23.102 1.00 0.00 H new ATOM 0 HG LEU A 96 74.720 40.450 -23.852 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.600 42.902 -24.035 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.696 42.370 -22.339 1.00 0.00 H new ATOM 0 HD13 LEU A 96 76.134 43.040 -23.144 1.00 0.00 H new ATOM 0 HD21 LEU A 96 75.677 41.583 -25.821 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.254 41.668 -24.999 1.00 0.00 H new ATOM 0 HD23 LEU A 96 76.558 40.087 -25.427 1.00 0.00 H new ATOM 1522 N SER A 97 75.487 37.753 -21.557 1.00 0.00 N ATOM 1523 CA SER A 97 74.677 36.543 -21.633 1.00 0.00 C ATOM 1524 C SER A 97 73.766 36.422 -20.415 1.00 0.00 C ATOM 1525 O SER A 97 72.637 35.941 -20.516 1.00 0.00 O ATOM 1526 CB SER A 97 75.576 35.309 -21.736 1.00 0.00 C ATOM 1527 OG SER A 97 74.824 34.159 -22.083 1.00 0.00 O ATOM 0 H SER A 97 76.491 37.595 -21.644 1.00 0.00 H new ATOM 0 HA SER A 97 74.055 36.607 -22.526 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.350 35.480 -22.484 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.082 35.143 -20.785 1.00 0.00 H new ATOM 0 HG SER A 97 75.421 33.384 -22.144 1.00 0.00 H new ATOM 1533 N HIS A 98 74.264 36.863 -19.265 1.00 0.00 N ATOM 1534 CA HIS A 98 73.495 36.806 -18.026 1.00 0.00 C ATOM 1535 C HIS A 98 72.350 37.813 -18.051 1.00 0.00 C ATOM 1536 O HIS A 98 71.202 37.472 -17.762 1.00 0.00 O ATOM 1537 CB HIS A 98 74.402 37.075 -16.825 1.00 0.00 C ATOM 1538 CG HIS A 98 73.850 36.561 -15.531 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.509 36.605 -15.215 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.467 35.989 -14.471 1.00 0.00 C ATOM 1541 CE1 HIS A 98 72.324 36.083 -14.015 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.497 35.701 -13.542 1.00 0.00 N ATOM 0 H HIS A 98 75.197 37.264 -19.164 1.00 0.00 H new ATOM 0 HA HIS A 98 73.073 35.805 -17.935 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.374 36.615 -17.004 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.568 38.149 -16.739 1.00 0.00 H new ATOM 0 HD1 HIS A 98 71.774 36.982 -15.814 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.525 35.795 -14.374 1.00 0.00 H new ATOM 0 HE1 HIS A 98 71.376 35.985 -13.508 1.00 0.00 H new ATOM 1550 N LEU A 99 72.669 39.056 -18.396 1.00 0.00 N ATOM 1551 CA LEU A 99 71.667 40.114 -18.458 1.00 0.00 C ATOM 1552 C LEU A 99 70.634 39.824 -19.542 1.00 0.00 C ATOM 1553 O LEU A 99 69.490 40.270 -19.459 1.00 0.00 O ATOM 1554 CB LEU A 99 72.337 41.463 -18.724 1.00 0.00 C ATOM 1555 CG LEU A 99 72.225 42.500 -17.606 1.00 0.00 C ATOM 1556 CD1 LEU A 99 73.083 42.099 -16.417 1.00 0.00 C ATOM 1557 CD2 LEU A 99 72.625 43.878 -18.114 1.00 0.00 C ATOM 0 H LEU A 99 73.614 39.356 -18.637 1.00 0.00 H new ATOM 0 HA LEU A 99 71.156 40.152 -17.496 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.394 41.288 -18.925 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.906 41.888 -19.631 1.00 0.00 H new ATOM 0 HG LEU A 99 71.186 42.542 -17.280 1.00 0.00 H new ATOM 0 HD11 LEU A 99 72.990 42.849 -15.632 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.750 41.133 -16.037 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.125 42.027 -16.728 1.00 0.00 H new ATOM 0 HD21 LEU A 99 72.539 44.603 -17.305 1.00 0.00 H new ATOM 0 HD22 LEU A 99 73.655 43.850 -18.468 1.00 0.00 H new ATOM 0 HD23 LEU A 99 71.967 44.169 -18.933 1.00 0.00 H new ATOM 1569 N SER A 100 71.045 39.072 -20.558 1.00 0.00 N ATOM 1570 CA SER A 100 70.156 38.723 -21.660 1.00 0.00 C ATOM 1571 C SER A 100 69.339 37.479 -21.325 1.00 0.00 C ATOM 1572 O SER A 100 68.227 37.301 -21.823 1.00 0.00 O ATOM 1573 CB SER A 100 70.962 38.489 -22.939 1.00 0.00 C ATOM 1574 OG SER A 100 70.112 38.165 -24.026 1.00 0.00 O ATOM 0 H SER A 100 71.988 38.693 -20.641 1.00 0.00 H new ATOM 0 HA SER A 100 69.470 39.555 -21.819 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.538 39.383 -23.178 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.677 37.682 -22.779 1.00 0.00 H new ATOM 0 HG SER A 100 70.651 38.022 -24.832 1.00 0.00 H new ATOM 1580 N TYR A 101 69.899 36.621 -20.480 1.00 0.00 N ATOM 1581 CA TYR A 101 69.224 35.392 -20.080 1.00 0.00 C ATOM 1582 C TYR A 101 67.870 35.695 -19.446 1.00 0.00 C ATOM 1583 O TYR A 101 66.895 34.974 -19.662 1.00 0.00 O ATOM 1584 CB TYR A 101 70.094 34.604 -19.099 1.00 0.00 C ATOM 1585 CG TYR A 101 69.401 33.396 -18.510 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.415 32.172 -19.167 1.00 0.00 C ATOM 1587 CD2 TYR A 101 68.732 33.479 -17.294 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.783 31.067 -18.633 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.098 32.378 -16.752 1.00 0.00 C ATOM 1590 CZ TYR A 101 68.125 31.175 -17.425 1.00 0.00 C ATOM 1591 OH TYR A 101 67.495 30.075 -16.889 1.00 0.00 O ATOM 0 H TYR A 101 70.818 36.754 -20.059 1.00 0.00 H new ATOM 0 HA TYR A 101 69.059 34.791 -20.974 1.00 0.00 H new ATOM 0 HB2 TYR A 101 71.000 34.279 -19.610 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.404 35.265 -18.290 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.930 32.083 -20.112 1.00 0.00 H new ATOM 0 HD2 TYR A 101 68.708 34.420 -16.764 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.803 30.123 -19.158 1.00 0.00 H new ATOM 0 HE2 TYR A 101 67.584 32.459 -15.806 1.00 0.00 H new ATOM 0 HH TYR A 101 67.081 30.319 -16.035 1.00 0.00 H new ATOM 1601 N LEU A 102 67.818 36.766 -18.662 1.00 0.00 N ATOM 1602 CA LEU A 102 66.583 37.167 -17.996 1.00 0.00 C ATOM 1603 C LEU A 102 65.616 37.811 -18.985 1.00 0.00 C ATOM 1604 O LEU A 102 64.399 37.681 -18.850 1.00 0.00 O ATOM 1605 CB LEU A 102 66.889 38.141 -16.857 1.00 0.00 C ATOM 1606 CG LEU A 102 67.988 37.713 -15.885 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.963 38.855 -15.644 1.00 0.00 C ATOM 1608 CD2 LEU A 102 67.384 37.239 -14.571 1.00 0.00 C ATOM 0 H LEU A 102 68.616 37.372 -18.472 1.00 0.00 H new ATOM 0 HA LEU A 102 66.113 36.273 -17.586 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.170 39.100 -17.292 1.00 0.00 H new ATOM 0 HB3 LEU A 102 65.973 38.304 -16.289 1.00 0.00 H new ATOM 0 HG LEU A 102 68.536 36.883 -16.330 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.738 38.531 -14.949 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.421 39.148 -16.589 1.00 0.00 H new ATOM 0 HD13 LEU A 102 68.429 39.706 -15.221 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.181 36.938 -13.891 1.00 0.00 H new ATOM 0 HD22 LEU A 102 66.810 38.049 -14.121 1.00 0.00 H new ATOM 0 HD23 LEU A 102 66.727 36.389 -14.758 1.00 0.00 H new