USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=20 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 140:sc= -0.413 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 91 ASN : amide:sc= -1.45! C(o=-1.9!,f=-5.8!) USER MOD Set 2.1: A 57 TYR OH : rot -154:sc= 0.874 USER MOD Set 2.2: A 98 HIS :FLIP no HD1:sc= -0.398 F(o=-0.29,f=0.48) USER MOD Set 3.1: A 42 THR OG1 : rot -70:sc= 1.31 USER MOD Set 3.2: A 45 HIS : no HD1:sc= 0.243 K(o=1.6,f=-4.7) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 48 GLN : amide:sc= -0.0276 X(o=-0.028,f=-0.32) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -32:sc= 0.37 USER MOD Single : A 60 MET CE :methyl -179:sc= 0 (180deg=-0.00278) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.1) USER MOD Single : A 69 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.5!) USER MOD Single : A 70 MET CE :methyl -171:sc= -0.478 (180deg=-0.677) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -16:sc= 0.656 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -157:sc= -0.171 (180deg=-0.606) USER MOD Single : A 79 ASN :FLIP amide:sc= 0.928 F(o=0,f=0.93) USER MOD Single : A 80 LYS NZ :NH3+ -115:sc= -0.377 (180deg=-2.41!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 71:sc= 1.24 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 66.401 37.997 -6.728 1.00 0.00 N ATOM 460 CA ILE A 33 67.588 38.106 -7.566 1.00 0.00 C ATOM 461 C ILE A 33 67.384 39.127 -8.680 1.00 0.00 C ATOM 462 O ILE A 33 68.330 39.779 -9.121 1.00 0.00 O ATOM 463 CB ILE A 33 67.963 36.750 -8.191 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.309 36.850 -8.912 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.875 36.289 -9.150 1.00 0.00 C ATOM 466 CD1 ILE A 33 69.917 35.506 -9.247 1.00 0.00 C ATOM 0 HA ILE A 33 68.401 38.436 -6.919 1.00 0.00 H new ATOM 0 HB ILE A 33 68.053 36.012 -7.394 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.178 37.420 -9.832 1.00 0.00 H new ATOM 0 HG13 ILE A 33 70.006 37.409 -8.288 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.155 35.329 -9.584 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.935 36.182 -8.609 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.755 37.025 -9.945 1.00 0.00 H new ATOM 0 HD11 ILE A 33 70.869 35.654 -9.757 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.081 34.942 -8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.240 34.952 -9.897 1.00 0.00 H new ATOM 478 N VAL A 34 66.140 39.262 -9.131 1.00 0.00 N ATOM 479 CA VAL A 34 65.810 40.206 -10.191 1.00 0.00 C ATOM 480 C VAL A 34 64.362 40.672 -10.081 1.00 0.00 C ATOM 481 O VAL A 34 63.450 39.888 -9.820 1.00 0.00 O ATOM 482 CB VAL A 34 66.033 39.586 -11.584 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.030 40.143 -12.583 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.459 39.832 -12.053 1.00 0.00 C ATOM 0 H VAL A 34 65.345 38.729 -8.778 1.00 0.00 H new ATOM 0 HA VAL A 34 66.475 41.062 -10.071 1.00 0.00 H new ATOM 0 HB VAL A 34 65.879 38.509 -11.513 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.203 39.694 -13.561 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.018 39.911 -12.251 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.149 41.224 -12.654 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.600 39.388 -13.038 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.644 40.905 -12.109 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.157 39.380 -11.348 1.00 0.00 H new ATOM 494 N PRO A 35 64.145 41.980 -10.284 1.00 0.00 N ATOM 495 CA PRO A 35 62.809 42.581 -10.214 1.00 0.00 C ATOM 496 C PRO A 35 61.919 42.152 -11.375 1.00 0.00 C ATOM 497 O PRO A 35 60.773 41.751 -11.175 1.00 0.00 O ATOM 498 CB PRO A 35 63.092 44.083 -10.284 1.00 0.00 C ATOM 499 CG PRO A 35 64.397 44.191 -10.995 1.00 0.00 C ATOM 500 CD PRO A 35 65.185 42.973 -10.600 1.00 0.00 C ATOM 0 HA PRO A 35 62.271 42.276 -9.316 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.304 44.610 -10.822 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.147 44.522 -9.288 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.251 44.229 -12.075 1.00 0.00 H new ATOM 0 HG3 PRO A 35 64.921 45.104 -10.712 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.832 42.633 -11.409 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.826 43.171 -9.741 1.00 0.00 H new ATOM 508 N ALA A 36 62.454 42.238 -12.589 1.00 0.00 N ATOM 509 CA ALA A 36 61.708 41.857 -13.781 1.00 0.00 C ATOM 510 C ALA A 36 62.562 42.009 -15.035 1.00 0.00 C ATOM 511 O ALA A 36 63.009 41.021 -15.618 1.00 0.00 O ATOM 512 CB ALA A 36 60.440 42.689 -13.900 1.00 0.00 C ATOM 0 H ALA A 36 63.402 42.568 -12.772 1.00 0.00 H new ATOM 0 HA ALA A 36 61.432 40.807 -13.686 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.893 42.393 -14.795 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.814 42.526 -13.022 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.703 43.745 -13.968 1.00 0.00 H new ATOM 518 N ASP A 37 62.785 43.253 -15.446 1.00 0.00 N ATOM 519 CA ASP A 37 63.586 43.534 -16.631 1.00 0.00 C ATOM 520 C ASP A 37 64.855 44.297 -16.261 1.00 0.00 C ATOM 521 O ASP A 37 64.954 44.904 -15.195 1.00 0.00 O ATOM 522 CB ASP A 37 62.771 44.338 -17.645 1.00 0.00 C ATOM 523 CG ASP A 37 62.055 43.452 -18.645 1.00 0.00 C ATOM 524 OD1 ASP A 37 61.251 42.599 -18.214 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.298 43.612 -19.860 1.00 0.00 O ATOM 0 H ASP A 37 62.422 44.082 -14.976 1.00 0.00 H new ATOM 0 HA ASP A 37 63.873 42.583 -17.079 1.00 0.00 H new ATOM 0 HB2 ASP A 37 62.039 44.949 -17.116 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.432 45.022 -18.178 1.00 0.00 H new ATOM 530 N PRO A 38 65.849 44.264 -17.161 1.00 0.00 N ATOM 531 CA PRO A 38 67.129 44.946 -16.951 1.00 0.00 C ATOM 532 C PRO A 38 66.994 46.464 -17.010 1.00 0.00 C ATOM 533 O PRO A 38 67.878 47.195 -16.563 1.00 0.00 O ATOM 534 CB PRO A 38 67.994 44.441 -18.109 1.00 0.00 C ATOM 535 CG PRO A 38 67.021 44.062 -19.171 1.00 0.00 C ATOM 536 CD PRO A 38 65.799 43.559 -18.453 1.00 0.00 C ATOM 0 HA PRO A 38 67.546 44.736 -15.966 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.679 45.214 -18.457 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.602 43.588 -17.807 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.779 44.917 -19.801 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.435 43.293 -19.823 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.886 43.790 -19.002 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.827 42.477 -18.322 1.00 0.00 H new ATOM 544 N THR A 39 65.880 46.933 -17.565 1.00 0.00 N ATOM 545 CA THR A 39 65.630 48.364 -17.683 1.00 0.00 C ATOM 546 C THR A 39 65.047 48.928 -16.392 1.00 0.00 C ATOM 547 O THR A 39 65.231 50.105 -16.078 1.00 0.00 O ATOM 548 CB THR A 39 64.666 48.672 -18.844 1.00 0.00 C ATOM 549 OG1 THR A 39 63.572 47.748 -18.831 1.00 0.00 O ATOM 550 CG2 THR A 39 65.388 48.592 -20.181 1.00 0.00 C ATOM 0 H THR A 39 65.137 46.343 -17.939 1.00 0.00 H new ATOM 0 HA THR A 39 66.591 48.837 -17.883 1.00 0.00 H new ATOM 0 HB THR A 39 64.286 49.685 -18.713 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.963 47.952 -19.571 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.688 48.813 -20.986 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.202 49.317 -20.199 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.792 47.589 -20.317 1.00 0.00 H new ATOM 558 N LEU A 40 64.345 48.083 -15.646 1.00 0.00 N ATOM 559 CA LEU A 40 63.736 48.497 -14.386 1.00 0.00 C ATOM 560 C LEU A 40 64.552 48.001 -13.197 1.00 0.00 C ATOM 561 O LEU A 40 64.003 47.462 -12.237 1.00 0.00 O ATOM 562 CB LEU A 40 62.304 47.970 -14.292 1.00 0.00 C ATOM 563 CG LEU A 40 61.379 48.325 -15.457 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.279 47.286 -15.603 1.00 0.00 C ATOM 565 CD2 LEU A 40 60.783 49.712 -15.261 1.00 0.00 C ATOM 0 H LEU A 40 64.183 47.106 -15.891 1.00 0.00 H new ATOM 0 HA LEU A 40 63.718 49.587 -14.361 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.343 46.884 -14.203 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.858 48.349 -13.372 1.00 0.00 H new ATOM 0 HG LEU A 40 61.968 48.330 -16.374 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.631 47.556 -16.437 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.724 46.309 -15.791 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.692 47.247 -14.686 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.128 49.948 -16.099 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.209 49.734 -14.334 1.00 0.00 H new ATOM 0 HD23 LEU A 40 61.585 50.449 -15.209 1.00 0.00 H new ATOM 577 N TRP A 41 65.865 48.188 -13.268 1.00 0.00 N ATOM 578 CA TRP A 41 66.757 47.761 -12.196 1.00 0.00 C ATOM 579 C TRP A 41 67.056 48.914 -11.245 1.00 0.00 C ATOM 580 O TRP A 41 66.811 50.078 -11.566 1.00 0.00 O ATOM 581 CB TRP A 41 68.061 47.212 -12.777 1.00 0.00 C ATOM 582 CG TRP A 41 68.080 45.717 -12.884 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.002 44.892 -13.036 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.234 44.870 -12.846 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.416 43.583 -13.095 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.781 43.543 -12.981 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.605 45.103 -12.712 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.652 42.456 -12.985 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.468 44.024 -12.716 1.00 0.00 C ATOM 590 CH2 TRP A 41 70.989 42.714 -12.852 1.00 0.00 C ATOM 0 H TRP A 41 66.336 48.632 -14.056 1.00 0.00 H new ATOM 0 HA TRP A 41 66.257 46.972 -11.635 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.219 47.642 -13.766 1.00 0.00 H new ATOM 0 HB3 TRP A 41 68.893 47.535 -12.152 1.00 0.00 H new ATOM 0 HD1 TRP A 41 65.975 45.220 -13.100 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.806 42.773 -13.206 1.00 0.00 H new ATOM 0 HE3 TRP A 41 70.984 46.109 -12.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.285 41.446 -13.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.530 44.193 -12.613 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.689 41.892 -12.852 1.00 0.00 H new ATOM 601 N THR A 42 67.587 48.586 -10.071 1.00 0.00 N ATOM 602 CA THR A 42 67.919 49.595 -9.073 1.00 0.00 C ATOM 603 C THR A 42 69.427 49.699 -8.876 1.00 0.00 C ATOM 604 O THR A 42 70.200 49.075 -9.602 1.00 0.00 O ATOM 605 CB THR A 42 67.256 49.283 -7.718 1.00 0.00 C ATOM 606 OG1 THR A 42 67.913 48.175 -7.094 1.00 0.00 O ATOM 607 CG2 THR A 42 65.779 48.967 -7.898 1.00 0.00 C ATOM 0 H THR A 42 67.796 47.629 -9.788 1.00 0.00 H new ATOM 0 HA THR A 42 67.538 50.546 -9.446 1.00 0.00 H new ATOM 0 HB THR A 42 67.348 50.164 -7.083 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.715 47.354 -7.592 1.00 0.00 H new ATOM 0 HG21 THR A 42 65.332 48.750 -6.928 1.00 0.00 H new ATOM 0 HG22 THR A 42 65.276 49.824 -8.346 1.00 0.00 H new ATOM 0 HG23 THR A 42 65.669 48.100 -8.550 1.00 0.00 H new ATOM 615 N GLN A 43 69.837 50.489 -7.889 1.00 0.00 N ATOM 616 CA GLN A 43 71.253 50.673 -7.597 1.00 0.00 C ATOM 617 C GLN A 43 71.827 49.450 -6.890 1.00 0.00 C ATOM 618 O GLN A 43 73.018 49.160 -7.001 1.00 0.00 O ATOM 619 CB GLN A 43 71.460 51.920 -6.735 1.00 0.00 C ATOM 620 CG GLN A 43 71.566 53.205 -7.539 1.00 0.00 C ATOM 621 CD GLN A 43 72.057 54.374 -6.708 1.00 0.00 C ATOM 622 OE1 GLN A 43 72.093 54.306 -5.479 1.00 0.00 O ATOM 623 NE2 GLN A 43 72.438 55.457 -7.376 1.00 0.00 N ATOM 0 H GLN A 43 69.209 51.012 -7.279 1.00 0.00 H new ATOM 0 HA GLN A 43 71.779 50.803 -8.543 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.631 52.008 -6.033 1.00 0.00 H new ATOM 0 HB3 GLN A 43 72.367 51.796 -6.143 1.00 0.00 H new ATOM 0 HG2 GLN A 43 72.245 53.050 -8.378 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.590 53.448 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 43 72.392 55.470 -8.395 1.00 0.00 H new ATOM 0 HE22 GLN A 43 72.777 56.275 -6.870 1.00 0.00 H new ATOM 632 N GLU A 44 70.972 48.737 -6.163 1.00 0.00 N ATOM 633 CA GLU A 44 71.396 47.546 -5.438 1.00 0.00 C ATOM 634 C GLU A 44 71.472 46.339 -6.369 1.00 0.00 C ATOM 635 O GLU A 44 72.307 45.453 -6.188 1.00 0.00 O ATOM 636 CB GLU A 44 70.433 47.254 -4.285 1.00 0.00 C ATOM 637 CG GLU A 44 70.482 48.290 -3.174 1.00 0.00 C ATOM 638 CD GLU A 44 71.602 48.033 -2.185 1.00 0.00 C ATOM 639 OE1 GLU A 44 72.746 47.806 -2.630 1.00 0.00 O ATOM 640 OE2 GLU A 44 71.333 48.059 -0.966 1.00 0.00 O ATOM 0 H GLU A 44 69.983 48.964 -6.061 1.00 0.00 H new ATOM 0 HA GLU A 44 72.391 47.734 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.417 47.201 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 44 70.666 46.274 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 44 70.609 49.280 -3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 44 69.529 48.295 -2.645 1.00 0.00 H new ATOM 647 N HIS A 45 70.593 46.313 -7.366 1.00 0.00 N ATOM 648 CA HIS A 45 70.560 45.216 -8.327 1.00 0.00 C ATOM 649 C HIS A 45 71.790 45.246 -9.229 1.00 0.00 C ATOM 650 O HIS A 45 72.224 44.213 -9.739 1.00 0.00 O ATOM 651 CB HIS A 45 69.290 45.291 -9.175 1.00 0.00 C ATOM 652 CG HIS A 45 68.055 44.861 -8.444 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.025 45.724 -8.134 1.00 0.00 N ATOM 654 CD2 HIS A 45 67.688 43.650 -7.963 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.078 45.063 -7.492 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.456 43.803 -7.375 1.00 0.00 N ATOM 0 H HIS A 45 69.895 47.038 -7.529 1.00 0.00 H new ATOM 0 HA HIS A 45 70.562 44.279 -7.771 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.157 46.315 -9.525 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.416 44.665 -10.059 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.257 42.735 -8.029 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.152 45.482 -7.125 1.00 0.00 H new ATOM 0 HE2 HIS A 45 65.920 43.063 -6.921 1.00 0.00 H new ATOM 664 N VAL A 46 72.348 46.437 -9.421 1.00 0.00 N ATOM 665 CA VAL A 46 73.528 46.601 -10.261 1.00 0.00 C ATOM 666 C VAL A 46 74.796 46.206 -9.512 1.00 0.00 C ATOM 667 O VAL A 46 75.783 45.790 -10.118 1.00 0.00 O ATOM 668 CB VAL A 46 73.669 48.054 -10.754 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.916 48.209 -11.611 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.427 48.477 -11.524 1.00 0.00 C ATOM 0 H VAL A 46 72.002 47.302 -9.006 1.00 0.00 H new ATOM 0 HA VAL A 46 73.397 45.944 -11.121 1.00 0.00 H new ATOM 0 HB VAL A 46 73.771 48.706 -9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 46 74.999 49.242 -11.950 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.796 47.949 -11.023 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.848 47.548 -12.475 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.543 49.506 -11.865 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.292 47.822 -12.385 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.555 48.406 -10.874 1.00 0.00 H new ATOM 680 N ARG A 47 74.760 46.338 -8.190 1.00 0.00 N ATOM 681 CA ARG A 47 75.906 45.996 -7.357 1.00 0.00 C ATOM 682 C ARG A 47 75.847 44.533 -6.925 1.00 0.00 C ATOM 683 O ARG A 47 76.789 43.773 -7.147 1.00 0.00 O ATOM 684 CB ARG A 47 75.957 46.900 -6.124 1.00 0.00 C ATOM 685 CG ARG A 47 77.060 47.944 -6.179 1.00 0.00 C ATOM 686 CD ARG A 47 76.499 49.337 -6.417 1.00 0.00 C ATOM 687 NE ARG A 47 76.307 50.071 -5.169 1.00 0.00 N ATOM 688 CZ ARG A 47 77.308 50.508 -4.413 1.00 0.00 C ATOM 689 NH1 ARG A 47 78.564 50.287 -4.777 1.00 0.00 N ATOM 690 NH2 ARG A 47 77.053 51.169 -3.291 1.00 0.00 N ATOM 0 H ARG A 47 73.950 46.679 -7.673 1.00 0.00 H new ATOM 0 HA ARG A 47 76.810 46.148 -7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 47 74.997 47.404 -6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 47 76.097 46.282 -5.237 1.00 0.00 H new ATOM 0 HG2 ARG A 47 77.621 47.932 -5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 47 77.761 47.692 -6.975 1.00 0.00 H new ATOM 0 HD2 ARG A 47 77.176 49.894 -7.065 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.547 49.259 -6.942 1.00 0.00 H new ATOM 0 HE ARG A 47 75.353 50.258 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.763 49.780 -5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 47 79.331 50.624 -4.194 1.00 0.00 H new ATOM 0 HH21 ARG A 47 76.088 51.342 -3.009 1.00 0.00 H new ATOM 0 HH22 ARG A 47 77.822 51.504 -2.711 1.00 0.00 H new ATOM 704 N GLN A 48 74.735 44.148 -6.308 1.00 0.00 N ATOM 705 CA GLN A 48 74.554 42.778 -5.845 1.00 0.00 C ATOM 706 C GLN A 48 74.824 41.783 -6.969 1.00 0.00 C ATOM 707 O GLN A 48 75.568 40.819 -6.792 1.00 0.00 O ATOM 708 CB GLN A 48 73.136 42.582 -5.305 1.00 0.00 C ATOM 709 CG GLN A 48 72.966 43.039 -3.865 1.00 0.00 C ATOM 710 CD GLN A 48 72.815 41.881 -2.899 1.00 0.00 C ATOM 711 OE1 GLN A 48 73.406 40.818 -3.089 1.00 0.00 O ATOM 712 NE2 GLN A 48 72.020 42.081 -1.854 1.00 0.00 N ATOM 0 H GLN A 48 73.946 44.766 -6.117 1.00 0.00 H new ATOM 0 HA GLN A 48 75.269 42.596 -5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.437 43.130 -5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 48 72.871 41.527 -5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 48 73.828 43.640 -3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 48 72.090 43.683 -3.793 1.00 0.00 H new ATOM 0 HE21 GLN A 48 71.550 42.978 -1.735 1.00 0.00 H new ATOM 0 HE22 GLN A 48 71.880 41.337 -1.170 1.00 0.00 H new ATOM 721 N TRP A 49 74.214 42.024 -8.124 1.00 0.00 N ATOM 722 CA TRP A 49 74.389 41.148 -9.277 1.00 0.00 C ATOM 723 C TRP A 49 75.868 40.927 -9.574 1.00 0.00 C ATOM 724 O TRP A 49 76.302 39.798 -9.809 1.00 0.00 O ATOM 725 CB TRP A 49 73.694 41.741 -10.504 1.00 0.00 C ATOM 726 CG TRP A 49 73.968 40.983 -11.767 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.558 39.715 -12.068 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.715 41.444 -12.898 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.005 39.361 -13.318 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.716 40.404 -13.848 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.380 42.634 -13.202 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.358 40.520 -15.078 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.018 42.748 -14.423 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.002 41.697 -15.349 1.00 0.00 C ATOM 0 H TRP A 49 73.595 42.818 -8.287 1.00 0.00 H new ATOM 0 HA TRP A 49 73.937 40.185 -9.041 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.619 41.763 -10.328 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.017 42.774 -10.632 1.00 0.00 H new ATOM 0 HD1 TRP A 49 72.969 39.084 -11.419 1.00 0.00 H new ATOM 0 HE1 TRP A 49 73.835 38.466 -13.777 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.395 43.451 -12.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.348 39.710 -15.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.538 43.663 -14.667 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.508 41.818 -16.296 1.00 0.00 H new ATOM 745 N LEU A 50 76.638 42.009 -9.561 1.00 0.00 N ATOM 746 CA LEU A 50 78.070 41.933 -9.829 1.00 0.00 C ATOM 747 C LEU A 50 78.783 41.127 -8.748 1.00 0.00 C ATOM 748 O LEU A 50 79.484 40.159 -9.043 1.00 0.00 O ATOM 749 CB LEU A 50 78.669 43.338 -9.912 1.00 0.00 C ATOM 750 CG LEU A 50 79.881 43.498 -10.830 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.436 43.736 -12.265 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.769 44.636 -10.349 1.00 0.00 C ATOM 0 H LEU A 50 76.295 42.950 -9.368 1.00 0.00 H new ATOM 0 HA LEU A 50 78.210 41.429 -10.785 1.00 0.00 H new ATOM 0 HB2 LEU A 50 77.891 44.024 -10.248 1.00 0.00 H new ATOM 0 HB3 LEU A 50 78.956 43.649 -8.907 1.00 0.00 H new ATOM 0 HG LEU A 50 80.460 42.575 -10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.312 43.848 -12.904 1.00 0.00 H new ATOM 0 HD12 LEU A 50 78.843 42.888 -12.607 1.00 0.00 H new ATOM 0 HD13 LEU A 50 78.834 44.643 -12.313 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.626 44.735 -11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.201 45.566 -10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.117 44.424 -9.338 1.00 0.00 H new ATOM 764 N GLU A 51 78.599 41.532 -7.496 1.00 0.00 N ATOM 765 CA GLU A 51 79.224 40.846 -6.371 1.00 0.00 C ATOM 766 C GLU A 51 78.868 39.362 -6.373 1.00 0.00 C ATOM 767 O GLU A 51 79.656 38.523 -5.936 1.00 0.00 O ATOM 768 CB GLU A 51 78.790 41.484 -5.050 1.00 0.00 C ATOM 769 CG GLU A 51 79.627 42.687 -4.651 1.00 0.00 C ATOM 770 CD GLU A 51 79.240 43.244 -3.295 1.00 0.00 C ATOM 771 OE1 GLU A 51 78.275 42.728 -2.695 1.00 0.00 O ATOM 772 OE2 GLU A 51 79.904 44.197 -2.834 1.00 0.00 O ATOM 0 H GLU A 51 78.022 42.332 -7.235 1.00 0.00 H new ATOM 0 HA GLU A 51 80.305 40.943 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 51 77.746 41.788 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.845 40.736 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.679 42.404 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.518 43.467 -5.405 1.00 0.00 H new ATOM 779 N TRP A 52 77.676 39.047 -6.867 1.00 0.00 N ATOM 780 CA TRP A 52 77.214 37.664 -6.925 1.00 0.00 C ATOM 781 C TRP A 52 77.887 36.913 -8.069 1.00 0.00 C ATOM 782 O TRP A 52 78.407 35.814 -7.881 1.00 0.00 O ATOM 783 CB TRP A 52 75.694 37.619 -7.093 1.00 0.00 C ATOM 784 CG TRP A 52 75.139 36.227 -7.103 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.696 35.514 -6.026 1.00 0.00 C ATOM 786 CD2 TRP A 52 74.969 35.381 -8.245 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.261 34.274 -6.430 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.417 34.169 -7.786 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.227 35.530 -9.610 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.121 33.114 -8.646 1.00 0.00 C ATOM 791 CZ3 TRP A 52 74.933 34.482 -10.462 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.384 33.287 -9.977 1.00 0.00 C ATOM 0 H TRP A 52 77.012 39.729 -7.233 1.00 0.00 H new ATOM 0 HA TRP A 52 77.483 37.177 -5.988 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.229 38.182 -6.284 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.424 38.117 -8.024 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.688 35.872 -5.007 1.00 0.00 H new ATOM 0 HE1 TRP A 52 73.883 33.550 -5.819 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.649 36.448 -9.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.699 32.192 -8.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.130 34.586 -11.519 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.164 32.487 -10.668 1.00 0.00 H new ATOM 803 N ALA A 53 77.873 37.514 -9.254 1.00 0.00 N ATOM 804 CA ALA A 53 78.484 36.902 -10.428 1.00 0.00 C ATOM 805 C ALA A 53 79.962 36.615 -10.190 1.00 0.00 C ATOM 806 O ALA A 53 80.434 35.503 -10.431 1.00 0.00 O ATOM 807 CB ALA A 53 78.307 37.800 -11.643 1.00 0.00 C ATOM 0 H ALA A 53 77.445 38.424 -9.427 1.00 0.00 H new ATOM 0 HA ALA A 53 77.982 35.953 -10.616 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.768 37.331 -12.512 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.244 37.950 -11.833 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.782 38.763 -11.456 1.00 0.00 H new ATOM 813 N ILE A 54 80.687 37.623 -9.718 1.00 0.00 N ATOM 814 CA ILE A 54 82.112 37.477 -9.447 1.00 0.00 C ATOM 815 C ILE A 54 82.374 36.329 -8.479 1.00 0.00 C ATOM 816 O ILE A 54 83.456 35.742 -8.471 1.00 0.00 O ATOM 817 CB ILE A 54 82.710 38.772 -8.864 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.491 39.940 -9.828 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.192 38.587 -8.575 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.657 41.296 -9.180 1.00 0.00 C ATOM 0 H ILE A 54 80.312 38.549 -9.515 1.00 0.00 H new ATOM 0 HA ILE A 54 82.593 37.261 -10.401 1.00 0.00 H new ATOM 0 HB ILE A 54 82.203 39.000 -7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.194 39.854 -10.657 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.489 39.869 -10.251 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.600 39.510 -8.164 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.324 37.779 -7.855 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.715 38.339 -9.499 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.488 42.077 -9.921 1.00 0.00 H new ATOM 0 HD12 ILE A 54 81.936 41.403 -8.369 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.667 41.387 -8.781 1.00 0.00 H new ATOM 832 N LYS A 55 81.374 36.011 -7.663 1.00 0.00 N ATOM 833 CA LYS A 55 81.493 34.930 -6.692 1.00 0.00 C ATOM 834 C LYS A 55 81.160 33.585 -7.330 1.00 0.00 C ATOM 835 O LYS A 55 82.006 32.695 -7.400 1.00 0.00 O ATOM 836 CB LYS A 55 80.567 35.184 -5.500 1.00 0.00 C ATOM 837 CG LYS A 55 81.283 35.173 -4.161 1.00 0.00 C ATOM 838 CD LYS A 55 80.865 33.982 -3.315 1.00 0.00 C ATOM 839 CE LYS A 55 81.566 32.708 -3.761 1.00 0.00 C ATOM 840 NZ LYS A 55 82.944 32.610 -3.204 1.00 0.00 N ATOM 0 H LYS A 55 80.472 36.487 -7.655 1.00 0.00 H new ATOM 0 HA LYS A 55 82.525 34.901 -6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.075 36.148 -5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 55 79.784 34.425 -5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.360 35.145 -4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.066 36.096 -3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 55 81.097 34.179 -2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.785 33.847 -3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 55 80.984 31.843 -3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 55 81.611 32.680 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 83.389 31.728 -3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.508 33.422 -3.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 82.899 32.611 -2.165 1.00 0.00 H new ATOM 854 N GLU A 56 79.922 33.447 -7.796 1.00 0.00 N ATOM 855 CA GLU A 56 79.479 32.210 -8.429 1.00 0.00 C ATOM 856 C GLU A 56 80.395 31.836 -9.591 1.00 0.00 C ATOM 857 O GLU A 56 81.072 30.808 -9.556 1.00 0.00 O ATOM 858 CB GLU A 56 78.039 32.353 -8.926 1.00 0.00 C ATOM 859 CG GLU A 56 77.330 31.024 -9.126 1.00 0.00 C ATOM 860 CD GLU A 56 76.975 30.349 -7.816 1.00 0.00 C ATOM 861 OE1 GLU A 56 77.116 30.997 -6.758 1.00 0.00 O ATOM 862 OE2 GLU A 56 76.556 29.173 -7.848 1.00 0.00 O ATOM 0 H GLU A 56 79.209 34.175 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 56 79.521 31.415 -7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.475 32.952 -8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.041 32.900 -9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.421 31.185 -9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 56 77.967 30.361 -9.711 1.00 0.00 H new ATOM 869 N TYR A 57 80.409 32.676 -10.620 1.00 0.00 N ATOM 870 CA TYR A 57 81.239 32.433 -11.794 1.00 0.00 C ATOM 871 C TYR A 57 82.717 32.401 -11.419 1.00 0.00 C ATOM 872 O TYR A 57 83.526 31.764 -12.094 1.00 0.00 O ATOM 873 CB TYR A 57 80.992 33.511 -12.850 1.00 0.00 C ATOM 874 CG TYR A 57 79.614 33.449 -13.469 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.371 32.673 -14.596 1.00 0.00 C ATOM 876 CD2 TYR A 57 78.554 34.166 -12.927 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.114 32.614 -15.165 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.293 34.111 -13.488 1.00 0.00 C ATOM 879 CZ TYR A 57 77.078 33.334 -14.607 1.00 0.00 C ATOM 880 OH TYR A 57 75.824 33.278 -15.170 1.00 0.00 O ATOM 0 H TYR A 57 79.855 33.531 -10.665 1.00 0.00 H new ATOM 0 HA TYR A 57 80.967 31.461 -12.206 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.133 34.492 -12.396 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.739 33.414 -13.637 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.179 32.106 -15.034 1.00 0.00 H new ATOM 0 HD2 TYR A 57 78.719 34.777 -12.052 1.00 0.00 H new ATOM 0 HE1 TYR A 57 77.943 32.007 -16.042 1.00 0.00 H new ATOM 0 HE2 TYR A 57 76.480 34.673 -13.053 1.00 0.00 H new ATOM 0 HH TYR A 57 75.333 34.099 -14.958 1.00 0.00 H new ATOM 890 N SER A 58 83.062 33.093 -10.338 1.00 0.00 N ATOM 891 CA SER A 58 84.443 33.147 -9.873 1.00 0.00 C ATOM 892 C SER A 58 85.339 33.817 -10.911 1.00 0.00 C ATOM 893 O SER A 58 86.322 33.232 -11.370 1.00 0.00 O ATOM 894 CB SER A 58 84.958 31.738 -9.571 1.00 0.00 C ATOM 895 OG SER A 58 83.954 30.950 -8.956 1.00 0.00 O ATOM 0 H SER A 58 82.404 33.624 -9.768 1.00 0.00 H new ATOM 0 HA SER A 58 84.470 33.739 -8.958 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.284 31.261 -10.495 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.829 31.798 -8.918 1.00 0.00 H new ATOM 0 HG SER A 58 83.378 31.523 -8.409 1.00 0.00 H new ATOM 901 N LEU A 59 84.993 35.046 -11.277 1.00 0.00 N ATOM 902 CA LEU A 59 85.765 35.797 -12.261 1.00 0.00 C ATOM 903 C LEU A 59 87.062 36.320 -11.651 1.00 0.00 C ATOM 904 O LEU A 59 87.312 36.148 -10.459 1.00 0.00 O ATOM 905 CB LEU A 59 84.938 36.963 -12.805 1.00 0.00 C ATOM 906 CG LEU A 59 83.509 36.629 -13.236 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.675 37.895 -13.347 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.514 35.873 -14.557 1.00 0.00 C ATOM 0 H LEU A 59 84.183 35.544 -10.907 1.00 0.00 H new ATOM 0 HA LEU A 59 86.016 35.124 -13.081 1.00 0.00 H new ATOM 0 HB2 LEU A 59 84.894 37.739 -12.040 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.464 37.388 -13.660 1.00 0.00 H new ATOM 0 HG LEU A 59 83.060 35.989 -12.476 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.662 37.637 -13.655 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.644 38.396 -12.380 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.120 38.560 -14.086 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.489 35.643 -14.849 1.00 0.00 H new ATOM 0 HD22 LEU A 59 83.981 36.488 -15.326 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.075 34.946 -14.443 1.00 0.00 H new ATOM 920 N MET A 60 87.882 36.960 -12.478 1.00 0.00 N ATOM 921 CA MET A 60 89.152 37.511 -12.019 1.00 0.00 C ATOM 922 C MET A 60 89.466 38.821 -12.735 1.00 0.00 C ATOM 923 O MET A 60 89.346 38.916 -13.956 1.00 0.00 O ATOM 924 CB MET A 60 90.282 36.506 -12.250 1.00 0.00 C ATOM 925 CG MET A 60 90.091 35.195 -11.506 1.00 0.00 C ATOM 926 SD MET A 60 91.650 34.472 -10.961 1.00 0.00 S ATOM 927 CE MET A 60 92.404 34.067 -12.535 1.00 0.00 C ATOM 0 H MET A 60 87.690 37.110 -13.469 1.00 0.00 H new ATOM 0 HA MET A 60 89.068 37.712 -10.951 1.00 0.00 H new ATOM 0 HB2 MET A 60 90.361 36.300 -13.317 1.00 0.00 H new ATOM 0 HB3 MET A 60 91.226 36.955 -11.941 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.451 35.363 -10.640 1.00 0.00 H new ATOM 0 HG3 MET A 60 89.573 34.487 -12.153 1.00 0.00 H new ATOM 0 HE1 MET A 60 93.371 33.594 -12.364 1.00 0.00 H new ATOM 0 HE2 MET A 60 91.757 33.383 -13.083 1.00 0.00 H new ATOM 0 HE3 MET A 60 92.544 34.978 -13.117 1.00 0.00 H new ATOM 937 N GLU A 61 89.869 39.829 -11.966 1.00 0.00 N ATOM 938 CA GLU A 61 90.199 41.133 -12.529 1.00 0.00 C ATOM 939 C GLU A 61 89.009 41.717 -13.284 1.00 0.00 C ATOM 940 O GLU A 61 88.809 41.430 -14.465 1.00 0.00 O ATOM 941 CB GLU A 61 91.405 41.019 -13.464 1.00 0.00 C ATOM 942 CG GLU A 61 92.701 40.676 -12.749 1.00 0.00 C ATOM 943 CD GLU A 61 93.909 40.751 -13.662 1.00 0.00 C ATOM 944 OE1 GLU A 61 93.789 40.353 -14.840 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.975 41.207 -13.198 1.00 0.00 O ATOM 0 H GLU A 61 89.974 39.767 -10.953 1.00 0.00 H new ATOM 0 HA GLU A 61 90.449 41.803 -11.706 1.00 0.00 H new ATOM 0 HB2 GLU A 61 91.201 40.255 -14.214 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.532 41.962 -13.996 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.841 41.359 -11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.627 39.671 -12.333 1.00 0.00 H new ATOM 952 N ILE A 62 88.223 42.536 -12.594 1.00 0.00 N ATOM 953 CA ILE A 62 87.053 43.161 -13.199 1.00 0.00 C ATOM 954 C ILE A 62 86.761 44.515 -12.562 1.00 0.00 C ATOM 955 O ILE A 62 86.813 44.662 -11.341 1.00 0.00 O ATOM 956 CB ILE A 62 85.806 42.266 -13.069 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.653 42.835 -13.898 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.400 42.133 -11.608 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.485 41.885 -14.042 1.00 0.00 C ATOM 0 H ILE A 62 88.375 42.782 -11.616 1.00 0.00 H new ATOM 0 HA ILE A 62 87.282 43.301 -14.255 1.00 0.00 H new ATOM 0 HB ILE A 62 86.048 41.274 -13.451 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.305 43.758 -13.435 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.023 43.095 -14.890 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.517 41.498 -11.532 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.218 41.687 -11.042 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.173 43.119 -11.202 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.705 42.355 -14.641 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.818 40.970 -14.533 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.088 41.644 -13.056 1.00 0.00 H new ATOM 971 N ASP A 63 86.453 45.501 -13.397 1.00 0.00 N ATOM 972 CA ASP A 63 86.150 46.844 -12.916 1.00 0.00 C ATOM 973 C ASP A 63 84.894 46.840 -12.050 1.00 0.00 C ATOM 974 O ASP A 63 83.880 46.241 -12.409 1.00 0.00 O ATOM 975 CB ASP A 63 85.970 47.803 -14.094 1.00 0.00 C ATOM 976 CG ASP A 63 87.188 48.675 -14.323 1.00 0.00 C ATOM 977 OD1 ASP A 63 88.114 48.227 -15.032 1.00 0.00 O ATOM 978 OD2 ASP A 63 87.216 49.805 -13.793 1.00 0.00 O ATOM 0 H ASP A 63 86.407 45.396 -14.410 1.00 0.00 H new ATOM 0 HA ASP A 63 86.988 47.183 -12.307 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.763 47.229 -14.997 1.00 0.00 H new ATOM 0 HB3 ASP A 63 85.102 48.437 -13.913 1.00 0.00 H new ATOM 983 N THR A 64 84.969 47.513 -10.905 1.00 0.00 N ATOM 984 CA THR A 64 83.839 47.585 -9.987 1.00 0.00 C ATOM 985 C THR A 64 83.304 49.009 -9.885 1.00 0.00 C ATOM 986 O THR A 64 82.101 49.220 -9.734 1.00 0.00 O ATOM 987 CB THR A 64 84.227 47.093 -8.580 1.00 0.00 C ATOM 988 OG1 THR A 64 85.650 47.139 -8.419 1.00 0.00 O ATOM 989 CG2 THR A 64 83.732 45.673 -8.347 1.00 0.00 C ATOM 0 H THR A 64 85.800 48.015 -10.592 1.00 0.00 H new ATOM 0 HA THR A 64 83.062 46.935 -10.390 1.00 0.00 H new ATOM 0 HB THR A 64 83.757 47.750 -7.848 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.888 46.826 -7.521 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.018 45.348 -7.347 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.646 45.646 -8.441 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.177 45.007 -9.086 1.00 0.00 H new ATOM 997 N SER A 65 84.205 49.982 -9.968 1.00 0.00 N ATOM 998 CA SER A 65 83.823 51.387 -9.882 1.00 0.00 C ATOM 999 C SER A 65 82.787 51.734 -10.948 1.00 0.00 C ATOM 1000 O SER A 65 81.988 52.655 -10.777 1.00 0.00 O ATOM 1001 CB SER A 65 85.053 52.283 -10.039 1.00 0.00 C ATOM 1002 OG SER A 65 85.666 52.090 -11.302 1.00 0.00 O ATOM 0 H SER A 65 85.205 49.824 -10.095 1.00 0.00 H new ATOM 0 HA SER A 65 83.381 51.559 -8.900 1.00 0.00 H new ATOM 0 HB2 SER A 65 84.762 53.328 -9.928 1.00 0.00 H new ATOM 0 HB3 SER A 65 85.769 52.065 -9.247 1.00 0.00 H new ATOM 0 HG SER A 65 86.449 52.675 -11.379 1.00 0.00 H new ATOM 1008 N PHE A 66 82.808 50.990 -12.049 1.00 0.00 N ATOM 1009 CA PHE A 66 81.873 51.219 -13.144 1.00 0.00 C ATOM 1010 C PHE A 66 80.464 50.778 -12.757 1.00 0.00 C ATOM 1011 O PHE A 66 79.475 51.293 -13.279 1.00 0.00 O ATOM 1012 CB PHE A 66 82.328 50.469 -14.397 1.00 0.00 C ATOM 1013 CG PHE A 66 82.477 51.351 -15.603 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.504 52.279 -15.677 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.590 51.253 -16.663 1.00 0.00 C ATOM 1016 CE1 PHE A 66 83.642 53.093 -16.786 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.724 52.064 -17.775 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.752 52.984 -17.836 1.00 0.00 C ATOM 0 H PHE A 66 83.462 50.223 -12.206 1.00 0.00 H new ATOM 0 HA PHE A 66 81.855 52.288 -13.356 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.282 49.982 -14.193 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.609 49.681 -14.620 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.204 52.367 -14.859 1.00 0.00 H new ATOM 0 HD2 PHE A 66 80.785 50.535 -16.620 1.00 0.00 H new ATOM 0 HE1 PHE A 66 84.445 53.814 -16.831 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.026 51.978 -18.594 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.860 53.618 -18.704 1.00 0.00 H new ATOM 1028 N PHE A 67 80.382 49.821 -11.839 1.00 0.00 N ATOM 1029 CA PHE A 67 79.095 49.308 -11.383 1.00 0.00 C ATOM 1030 C PHE A 67 78.840 49.695 -9.929 1.00 0.00 C ATOM 1031 O PHE A 67 78.116 49.006 -9.211 1.00 0.00 O ATOM 1032 CB PHE A 67 79.046 47.787 -11.534 1.00 0.00 C ATOM 1033 CG PHE A 67 79.523 47.301 -12.873 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.717 47.414 -13.993 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.779 46.732 -13.010 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.153 46.969 -15.227 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.221 46.285 -14.241 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.407 46.403 -15.350 1.00 0.00 C ATOM 0 H PHE A 67 81.191 49.385 -11.396 1.00 0.00 H new ATOM 0 HA PHE A 67 78.315 49.752 -12.001 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.656 47.333 -10.753 1.00 0.00 H new ATOM 0 HB3 PHE A 67 78.022 47.447 -11.377 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.736 47.855 -13.901 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.419 46.637 -12.146 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.515 47.064 -16.093 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.202 45.844 -14.335 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.750 46.053 -16.312 1.00 0.00 H new ATOM 1048 N GLN A 68 79.441 50.801 -9.503 1.00 0.00 N ATOM 1049 CA GLN A 68 79.281 51.279 -8.135 1.00 0.00 C ATOM 1050 C GLN A 68 78.053 52.174 -8.011 1.00 0.00 C ATOM 1051 O GLN A 68 77.404 52.215 -6.966 1.00 0.00 O ATOM 1052 CB GLN A 68 80.530 52.041 -7.688 1.00 0.00 C ATOM 1053 CG GLN A 68 80.656 53.421 -8.314 1.00 0.00 C ATOM 1054 CD GLN A 68 82.078 53.947 -8.283 1.00 0.00 C ATOM 1055 OE1 GLN A 68 82.904 53.491 -7.491 1.00 0.00 O ATOM 1056 NE2 GLN A 68 82.370 54.912 -9.146 1.00 0.00 N ATOM 0 H GLN A 68 80.043 51.383 -10.085 1.00 0.00 H new ATOM 0 HA GLN A 68 79.143 50.412 -7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.514 52.143 -6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.413 51.454 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 68 80.310 53.381 -9.347 1.00 0.00 H new ATOM 0 HG3 GLN A 68 80.004 54.116 -7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 68 81.654 55.259 -9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 68 83.310 55.306 -9.171 1.00 0.00 H new ATOM 1065 N ASN A 69 77.739 52.892 -9.085 1.00 0.00 N ATOM 1066 CA ASN A 69 76.589 53.788 -9.097 1.00 0.00 C ATOM 1067 C ASN A 69 76.091 54.016 -10.521 1.00 0.00 C ATOM 1068 O ASN A 69 75.823 55.149 -10.921 1.00 0.00 O ATOM 1069 CB ASN A 69 76.953 55.127 -8.451 1.00 0.00 C ATOM 1070 CG ASN A 69 78.303 55.642 -8.910 1.00 0.00 C ATOM 1071 OD1 ASN A 69 78.731 55.378 -10.034 1.00 0.00 O ATOM 1072 ND2 ASN A 69 78.981 56.382 -8.040 1.00 0.00 N ATOM 0 H ASN A 69 78.265 52.870 -9.958 1.00 0.00 H new ATOM 0 HA ASN A 69 75.789 53.320 -8.523 1.00 0.00 H new ATOM 0 HB2 ASN A 69 76.186 55.863 -8.690 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.960 55.014 -7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 69 79.895 56.757 -8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 69 78.587 56.575 -7.119 1.00 0.00 H new ATOM 1079 N MET A 70 75.969 52.932 -11.280 1.00 0.00 N ATOM 1080 CA MET A 70 75.502 53.014 -12.659 1.00 0.00 C ATOM 1081 C MET A 70 74.029 52.630 -12.757 1.00 0.00 C ATOM 1082 O MET A 70 73.598 51.633 -12.178 1.00 0.00 O ATOM 1083 CB MET A 70 76.339 52.104 -13.559 1.00 0.00 C ATOM 1084 CG MET A 70 75.937 52.160 -15.024 1.00 0.00 C ATOM 1085 SD MET A 70 77.345 52.412 -16.122 1.00 0.00 S ATOM 1086 CE MET A 70 77.869 50.721 -16.392 1.00 0.00 C ATOM 0 H MET A 70 76.187 51.987 -10.964 1.00 0.00 H new ATOM 0 HA MET A 70 75.614 54.045 -12.994 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.389 52.383 -13.468 1.00 0.00 H new ATOM 0 HB3 MET A 70 76.251 51.077 -13.206 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.432 51.232 -15.294 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.219 52.967 -15.169 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.823 50.715 -16.919 1.00 0.00 H new ATOM 0 HE2 MET A 70 77.982 50.217 -15.432 1.00 0.00 H new ATOM 0 HE3 MET A 70 77.121 50.199 -16.989 1.00 0.00 H new ATOM 1096 N ASP A 71 73.262 53.428 -13.492 1.00 0.00 N ATOM 1097 CA ASP A 71 71.837 53.170 -13.667 1.00 0.00 C ATOM 1098 C ASP A 71 71.610 51.890 -14.464 1.00 0.00 C ATOM 1099 O ASP A 71 72.295 51.632 -15.452 1.00 0.00 O ATOM 1100 CB ASP A 71 71.167 54.350 -14.372 1.00 0.00 C ATOM 1101 CG ASP A 71 71.706 55.687 -13.903 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.450 56.055 -12.737 1.00 0.00 O ATOM 1103 OD2 ASP A 71 72.385 56.365 -14.702 1.00 0.00 O ATOM 0 H ASP A 71 73.603 54.259 -13.976 1.00 0.00 H new ATOM 0 HA ASP A 71 71.392 53.045 -12.680 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.316 54.259 -15.448 1.00 0.00 H new ATOM 0 HB3 ASP A 71 70.092 54.313 -14.195 1.00 0.00 H new ATOM 1108 N GLY A 72 70.643 51.089 -14.025 1.00 0.00 N ATOM 1109 CA GLY A 72 70.343 49.844 -14.708 1.00 0.00 C ATOM 1110 C GLY A 72 70.102 50.041 -16.192 1.00 0.00 C ATOM 1111 O GLY A 72 70.499 49.209 -17.008 1.00 0.00 O ATOM 0 H GLY A 72 70.062 51.280 -13.209 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.169 49.147 -14.566 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.461 49.389 -14.257 1.00 0.00 H new ATOM 1115 N LYS A 73 69.449 51.143 -16.542 1.00 0.00 N ATOM 1116 CA LYS A 73 69.154 51.447 -17.938 1.00 0.00 C ATOM 1117 C LYS A 73 70.437 51.531 -18.759 1.00 0.00 C ATOM 1118 O LYS A 73 70.427 51.300 -19.967 1.00 0.00 O ATOM 1119 CB LYS A 73 68.382 52.765 -18.042 1.00 0.00 C ATOM 1120 CG LYS A 73 66.879 52.581 -18.157 1.00 0.00 C ATOM 1121 CD LYS A 73 66.198 53.850 -18.642 1.00 0.00 C ATOM 1122 CE LYS A 73 65.059 53.540 -19.601 1.00 0.00 C ATOM 1123 NZ LYS A 73 63.753 53.430 -18.894 1.00 0.00 N ATOM 0 H LYS A 73 69.113 51.841 -15.879 1.00 0.00 H new ATOM 0 HA LYS A 73 68.540 50.640 -18.338 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.599 53.374 -17.164 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.740 53.318 -18.910 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.663 51.765 -18.846 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.471 52.296 -17.187 1.00 0.00 H new ATOM 0 HD2 LYS A 73 65.814 54.407 -17.788 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.928 54.489 -19.138 1.00 0.00 H new ATOM 0 HE2 LYS A 73 64.998 54.323 -20.357 1.00 0.00 H new ATOM 0 HE3 LYS A 73 65.268 52.607 -20.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 63.003 53.218 -19.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 63.803 52.666 -18.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 63.540 54.329 -18.416 1.00 0.00 H new ATOM 1137 N GLU A 74 71.540 51.862 -18.094 1.00 0.00 N ATOM 1138 CA GLU A 74 72.830 51.975 -18.763 1.00 0.00 C ATOM 1139 C GLU A 74 73.480 50.605 -18.926 1.00 0.00 C ATOM 1140 O GLU A 74 74.196 50.356 -19.897 1.00 0.00 O ATOM 1141 CB GLU A 74 73.758 52.903 -17.976 1.00 0.00 C ATOM 1142 CG GLU A 74 74.141 54.165 -18.731 1.00 0.00 C ATOM 1143 CD GLU A 74 75.395 54.816 -18.181 1.00 0.00 C ATOM 1144 OE1 GLU A 74 75.349 55.320 -17.040 1.00 0.00 O ATOM 1145 OE2 GLU A 74 76.421 54.822 -18.892 1.00 0.00 O ATOM 0 H GLU A 74 71.565 52.056 -17.093 1.00 0.00 H new ATOM 0 HA GLU A 74 72.661 52.397 -19.754 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.271 53.182 -17.042 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.665 52.358 -17.713 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.293 53.923 -19.783 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.316 54.876 -18.684 1.00 0.00 H new ATOM 1152 N LEU A 75 73.227 49.719 -17.969 1.00 0.00 N ATOM 1153 CA LEU A 75 73.788 48.373 -18.005 1.00 0.00 C ATOM 1154 C LEU A 75 73.378 47.645 -19.281 1.00 0.00 C ATOM 1155 O LEU A 75 74.219 47.086 -19.986 1.00 0.00 O ATOM 1156 CB LEU A 75 73.332 47.576 -16.781 1.00 0.00 C ATOM 1157 CG LEU A 75 74.440 47.079 -15.852 1.00 0.00 C ATOM 1158 CD1 LEU A 75 75.232 48.251 -15.292 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.854 46.242 -14.724 1.00 0.00 C ATOM 0 H LEU A 75 72.637 49.908 -17.159 1.00 0.00 H new ATOM 0 HA LEU A 75 74.875 48.459 -17.991 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.651 48.198 -16.201 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.761 46.714 -17.126 1.00 0.00 H new ATOM 0 HG LEU A 75 75.118 46.451 -16.430 1.00 0.00 H new ATOM 0 HD11 LEU A 75 76.016 47.878 -14.633 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.682 48.811 -16.112 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.566 48.905 -14.729 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.657 45.897 -14.072 1.00 0.00 H new ATOM 0 HD22 LEU A 75 73.154 46.847 -14.148 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.331 45.382 -15.143 1.00 0.00 H new ATOM 1171 N CYS A 76 72.082 47.660 -19.573 1.00 0.00 N ATOM 1172 CA CYS A 76 71.561 47.002 -20.766 1.00 0.00 C ATOM 1173 C CYS A 76 71.972 47.756 -22.027 1.00 0.00 C ATOM 1174 O CYS A 76 72.130 47.164 -23.094 1.00 0.00 O ATOM 1175 CB CYS A 76 70.036 46.902 -20.693 1.00 0.00 C ATOM 1176 SG CYS A 76 69.193 48.500 -20.626 1.00 0.00 S ATOM 0 H CYS A 76 71.374 48.120 -19.001 1.00 0.00 H new ATOM 0 HA CYS A 76 71.983 45.998 -20.811 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.677 46.350 -21.562 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.763 46.322 -19.812 1.00 0.00 H new ATOM 0 HG CYS A 76 70.048 49.429 -20.316 1.00 0.00 H new ATOM 1182 N LYS A 77 72.144 49.067 -21.896 1.00 0.00 N ATOM 1183 CA LYS A 77 72.537 49.904 -23.023 1.00 0.00 C ATOM 1184 C LYS A 77 73.955 49.573 -23.479 1.00 0.00 C ATOM 1185 O LYS A 77 74.280 49.690 -24.660 1.00 0.00 O ATOM 1186 CB LYS A 77 72.444 51.384 -22.643 1.00 0.00 C ATOM 1187 CG LYS A 77 71.115 52.023 -23.005 1.00 0.00 C ATOM 1188 CD LYS A 77 71.120 53.517 -22.727 1.00 0.00 C ATOM 1189 CE LYS A 77 69.715 54.041 -22.472 1.00 0.00 C ATOM 1190 NZ LYS A 77 69.681 55.529 -22.412 1.00 0.00 N ATOM 0 H LYS A 77 72.017 49.573 -21.020 1.00 0.00 H new ATOM 0 HA LYS A 77 71.853 49.703 -23.848 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.606 51.486 -21.570 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.247 51.929 -23.140 1.00 0.00 H new ATOM 0 HG2 LYS A 77 70.902 51.849 -24.060 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.315 51.549 -22.436 1.00 0.00 H new ATOM 0 HD2 LYS A 77 71.750 53.725 -21.862 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.558 54.044 -23.574 1.00 0.00 H new ATOM 0 HE2 LYS A 77 69.049 53.694 -23.262 1.00 0.00 H new ATOM 0 HE3 LYS A 77 69.339 53.631 -21.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 68.706 55.847 -22.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 70.297 55.860 -21.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 70.016 55.921 -23.315 1.00 0.00 H new ATOM 1204 N MET A 78 74.793 49.158 -22.534 1.00 0.00 N ATOM 1205 CA MET A 78 76.175 48.807 -22.840 1.00 0.00 C ATOM 1206 C MET A 78 76.235 47.650 -23.833 1.00 0.00 C ATOM 1207 O MET A 78 75.410 46.739 -23.789 1.00 0.00 O ATOM 1208 CB MET A 78 76.924 48.435 -21.560 1.00 0.00 C ATOM 1209 CG MET A 78 76.955 49.551 -20.528 1.00 0.00 C ATOM 1210 SD MET A 78 78.618 50.184 -20.238 1.00 0.00 S ATOM 1211 CE MET A 78 79.435 48.718 -19.612 1.00 0.00 C ATOM 0 H MET A 78 74.539 49.057 -21.551 1.00 0.00 H new ATOM 0 HA MET A 78 76.653 49.676 -23.292 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.456 47.555 -21.118 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.947 48.158 -21.815 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.313 50.367 -20.861 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.542 49.183 -19.589 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.302 49.010 -19.019 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.742 48.154 -18.988 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.759 48.097 -20.447 1.00 0.00 H new ATOM 1221 N ASN A 79 77.217 47.694 -24.727 1.00 0.00 N ATOM 1222 CA ASN A 79 77.384 46.650 -25.731 1.00 0.00 C ATOM 1223 C ASN A 79 78.688 45.888 -25.513 1.00 0.00 C ATOM 1224 O ASN A 79 79.399 46.120 -24.535 1.00 0.00 O ATOM 1225 CB ASN A 79 77.364 47.256 -27.136 1.00 0.00 C ATOM 1226 CG ASN A 79 76.222 48.236 -27.326 1.00 0.00 C ATOM 1227 OD1 ASN A 79 75.070 47.727 -27.746 1.00 0.00 O flip ATOM 1228 ND2 ASN A 79 76.375 49.436 -27.098 1.00 0.00 N flip ATOM 0 H ASN A 79 77.909 48.441 -24.777 1.00 0.00 H new ATOM 0 HA ASN A 79 76.554 45.950 -25.632 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.310 47.764 -27.323 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.280 46.457 -27.872 1.00 0.00 H new ATOM 0 HD21 ASN A 79 77.279 49.783 -26.776 1.00 0.00 H new ATOM 0 HD22 ASN A 79 75.598 50.083 -27.231 1.00 0.00 H new ATOM 1235 N LYS A 80 78.996 44.978 -26.431 1.00 0.00 N ATOM 1236 CA LYS A 80 80.215 44.183 -26.341 1.00 0.00 C ATOM 1237 C LYS A 80 81.444 45.080 -26.245 1.00 0.00 C ATOM 1238 O LYS A 80 82.448 44.709 -25.637 1.00 0.00 O ATOM 1239 CB LYS A 80 80.337 43.260 -27.556 1.00 0.00 C ATOM 1240 CG LYS A 80 81.575 42.381 -27.531 1.00 0.00 C ATOM 1241 CD LYS A 80 81.442 41.260 -26.514 1.00 0.00 C ATOM 1242 CE LYS A 80 80.880 39.997 -27.148 1.00 0.00 C ATOM 1243 NZ LYS A 80 81.813 39.419 -28.154 1.00 0.00 N ATOM 0 H LYS A 80 78.418 44.773 -27.246 1.00 0.00 H new ATOM 0 HA LYS A 80 80.158 43.577 -25.436 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.452 42.625 -27.610 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.350 43.866 -28.462 1.00 0.00 H new ATOM 0 HG2 LYS A 80 81.742 41.957 -28.521 1.00 0.00 H new ATOM 0 HG3 LYS A 80 82.449 42.988 -27.293 1.00 0.00 H new ATOM 0 HD2 LYS A 80 82.417 41.046 -26.077 1.00 0.00 H new ATOM 0 HD3 LYS A 80 80.791 41.581 -25.700 1.00 0.00 H new ATOM 0 HE2 LYS A 80 80.681 39.259 -26.371 1.00 0.00 H new ATOM 0 HE3 LYS A 80 79.926 40.223 -27.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 81.379 39.467 -29.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 82.702 39.959 -28.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 82.011 38.427 -27.914 1.00 0.00 H new ATOM 1257 N GLU A 81 81.358 46.262 -26.848 1.00 0.00 N ATOM 1258 CA GLU A 81 82.464 47.211 -26.829 1.00 0.00 C ATOM 1259 C GLU A 81 82.523 47.952 -25.496 1.00 0.00 C ATOM 1260 O GLU A 81 83.561 47.980 -24.835 1.00 0.00 O ATOM 1261 CB GLU A 81 82.324 48.214 -27.976 1.00 0.00 C ATOM 1262 CG GLU A 81 82.296 47.567 -29.350 1.00 0.00 C ATOM 1263 CD GLU A 81 82.969 48.418 -30.410 1.00 0.00 C ATOM 1264 OE1 GLU A 81 82.853 49.659 -30.335 1.00 0.00 O ATOM 1265 OE2 GLU A 81 83.611 47.843 -31.313 1.00 0.00 O ATOM 0 H GLU A 81 80.534 46.584 -27.355 1.00 0.00 H new ATOM 0 HA GLU A 81 83.391 46.652 -26.955 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.408 48.788 -27.835 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.153 48.920 -27.933 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.790 46.597 -29.301 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.261 47.383 -29.640 1.00 0.00 H new ATOM 1272 N ASP A 82 81.402 48.549 -25.108 1.00 0.00 N ATOM 1273 CA ASP A 82 81.324 49.290 -23.854 1.00 0.00 C ATOM 1274 C ASP A 82 81.771 48.422 -22.682 1.00 0.00 C ATOM 1275 O ASP A 82 82.469 48.888 -21.781 1.00 0.00 O ATOM 1276 CB ASP A 82 79.898 49.790 -23.619 1.00 0.00 C ATOM 1277 CG ASP A 82 79.313 50.466 -24.843 1.00 0.00 C ATOM 1278 OD1 ASP A 82 78.832 49.749 -25.746 1.00 0.00 O ATOM 1279 OD2 ASP A 82 79.335 51.714 -24.899 1.00 0.00 O ATOM 0 H ASP A 82 80.534 48.535 -25.644 1.00 0.00 H new ATOM 0 HA ASP A 82 81.994 50.147 -23.925 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.264 48.951 -23.333 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.895 50.491 -22.784 1.00 0.00 H new ATOM 1284 N PHE A 83 81.364 47.157 -22.700 1.00 0.00 N ATOM 1285 CA PHE A 83 81.721 46.223 -21.638 1.00 0.00 C ATOM 1286 C PHE A 83 83.191 45.826 -21.734 1.00 0.00 C ATOM 1287 O PHE A 83 83.838 45.545 -20.724 1.00 0.00 O ATOM 1288 CB PHE A 83 80.838 44.976 -21.708 1.00 0.00 C ATOM 1289 CG PHE A 83 79.619 45.055 -20.834 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.742 45.153 -19.457 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.349 45.030 -21.389 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.622 45.226 -18.650 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.226 45.103 -20.587 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.362 45.200 -19.216 1.00 0.00 C ATOM 0 H PHE A 83 80.787 46.755 -23.438 1.00 0.00 H new ATOM 0 HA PHE A 83 81.559 46.720 -20.682 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.526 44.819 -22.740 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.428 44.106 -21.418 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.725 45.173 -19.009 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.236 44.953 -22.460 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.732 45.303 -17.578 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.242 45.084 -21.032 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.485 45.255 -18.588 1.00 0.00 H new ATOM 1304 N LEU A 84 83.713 45.804 -22.955 1.00 0.00 N ATOM 1305 CA LEU A 84 85.106 45.440 -23.186 1.00 0.00 C ATOM 1306 C LEU A 84 86.047 46.450 -22.538 1.00 0.00 C ATOM 1307 O LEU A 84 87.164 46.112 -22.146 1.00 0.00 O ATOM 1308 CB LEU A 84 85.390 45.351 -24.686 1.00 0.00 C ATOM 1309 CG LEU A 84 85.308 43.955 -25.304 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.246 44.045 -26.821 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.494 43.108 -24.866 1.00 0.00 C ATOM 0 H LEU A 84 83.192 46.034 -23.801 1.00 0.00 H new ATOM 0 HA LEU A 84 85.280 44.465 -22.732 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.686 45.999 -25.208 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.387 45.750 -24.871 1.00 0.00 H new ATOM 0 HG LEU A 84 84.395 43.476 -24.952 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.188 43.042 -27.243 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.364 44.614 -27.116 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.141 44.544 -27.193 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.419 42.118 -25.315 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.420 43.584 -25.189 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.493 43.015 -23.780 1.00 0.00 H new ATOM 1323 N ARG A 85 85.587 47.692 -22.425 1.00 0.00 N ATOM 1324 CA ARG A 85 86.387 48.752 -21.824 1.00 0.00 C ATOM 1325 C ARG A 85 86.474 48.575 -20.311 1.00 0.00 C ATOM 1326 O ARG A 85 87.434 49.014 -19.679 1.00 0.00 O ATOM 1327 CB ARG A 85 85.790 50.121 -22.154 1.00 0.00 C ATOM 1328 CG ARG A 85 85.407 50.282 -23.617 1.00 0.00 C ATOM 1329 CD ARG A 85 85.428 51.742 -24.041 1.00 0.00 C ATOM 1330 NE ARG A 85 84.089 52.324 -24.066 1.00 0.00 N ATOM 1331 CZ ARG A 85 83.857 53.631 -24.103 1.00 0.00 C ATOM 1332 NH1 ARG A 85 84.869 54.488 -24.118 1.00 0.00 N ATOM 1333 NH2 ARG A 85 82.610 54.084 -24.124 1.00 0.00 N ATOM 0 H ARG A 85 84.664 47.989 -22.742 1.00 0.00 H new ATOM 0 HA ARG A 85 87.393 48.693 -22.239 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.906 50.281 -21.536 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.510 50.895 -21.888 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.096 49.711 -24.240 1.00 0.00 H new ATOM 0 HG3 ARG A 85 84.412 49.869 -23.781 1.00 0.00 H new ATOM 0 HD2 ARG A 85 86.057 52.310 -23.355 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.878 51.826 -25.030 1.00 0.00 H new ATOM 0 HE ARG A 85 83.288 51.692 -24.054 1.00 0.00 H new ATOM 0 HH11 ARG A 85 85.829 54.144 -24.101 1.00 0.00 H new ATOM 0 HH12 ARG A 85 84.687 55.491 -24.146 1.00 0.00 H new ATOM 0 HH21 ARG A 85 81.829 53.428 -24.112 1.00 0.00 H new ATOM 0 HH22 ARG A 85 82.433 55.088 -24.152 1.00 0.00 H new ATOM 1347 N ALA A 86 85.464 47.930 -19.736 1.00 0.00 N ATOM 1348 CA ALA A 86 85.427 47.693 -18.299 1.00 0.00 C ATOM 1349 C ALA A 86 86.102 46.373 -17.942 1.00 0.00 C ATOM 1350 O ALA A 86 86.859 46.291 -16.974 1.00 0.00 O ATOM 1351 CB ALA A 86 83.991 47.707 -17.798 1.00 0.00 C ATOM 0 H ALA A 86 84.660 47.562 -20.245 1.00 0.00 H new ATOM 0 HA ALA A 86 85.978 48.496 -17.810 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.979 47.529 -16.723 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.541 48.677 -18.010 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.422 46.925 -18.302 1.00 0.00 H new ATOM 1357 N THR A 87 85.821 45.339 -18.729 1.00 0.00 N ATOM 1358 CA THR A 87 86.399 44.021 -18.495 1.00 0.00 C ATOM 1359 C THR A 87 86.805 43.359 -19.806 1.00 0.00 C ATOM 1360 O THR A 87 86.519 43.872 -20.889 1.00 0.00 O ATOM 1361 CB THR A 87 85.414 43.100 -17.751 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.075 41.893 -17.356 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.218 42.765 -18.629 1.00 0.00 C ATOM 0 H THR A 87 85.197 45.389 -19.534 1.00 0.00 H new ATOM 0 HA THR A 87 87.284 44.169 -17.876 1.00 0.00 H new ATOM 0 HB THR A 87 85.058 43.626 -16.865 1.00 0.00 H new ATOM 0 HG1 THR A 87 85.779 41.637 -16.457 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.536 42.114 -18.082 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.700 43.684 -18.904 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.560 42.257 -19.531 1.00 0.00 H new ATOM 1371 N THR A 88 87.474 42.214 -19.703 1.00 0.00 N ATOM 1372 CA THR A 88 87.920 41.481 -20.881 1.00 0.00 C ATOM 1373 C THR A 88 86.738 40.889 -21.640 1.00 0.00 C ATOM 1374 O THR A 88 85.588 41.017 -21.218 1.00 0.00 O ATOM 1375 CB THR A 88 88.892 40.347 -20.502 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.184 39.298 -19.834 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.005 40.867 -19.605 1.00 0.00 C ATOM 0 H THR A 88 87.719 41.775 -18.815 1.00 0.00 H new ATOM 0 HA THR A 88 88.438 42.195 -21.521 1.00 0.00 H new ATOM 0 HB THR A 88 89.337 39.958 -21.418 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.808 38.581 -19.598 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.679 40.049 -19.350 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.560 41.645 -20.128 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.574 41.280 -18.693 1.00 0.00 H new ATOM 1385 N LEU A 89 87.028 40.239 -22.762 1.00 0.00 N ATOM 1386 CA LEU A 89 85.988 39.626 -23.582 1.00 0.00 C ATOM 1387 C LEU A 89 85.400 38.401 -22.888 1.00 0.00 C ATOM 1388 O LEU A 89 84.187 38.194 -22.894 1.00 0.00 O ATOM 1389 CB LEU A 89 86.554 39.231 -24.947 1.00 0.00 C ATOM 1390 CG LEU A 89 85.562 39.236 -26.111 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.396 38.304 -25.823 1.00 0.00 C ATOM 1392 CD2 LEU A 89 85.065 40.649 -26.381 1.00 0.00 C ATOM 0 H LEU A 89 87.974 40.123 -23.125 1.00 0.00 H new ATOM 0 HA LEU A 89 85.192 40.357 -23.724 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.372 39.910 -25.189 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.983 38.232 -24.865 1.00 0.00 H new ATOM 0 HG LEU A 89 86.075 38.876 -27.003 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.701 38.321 -26.662 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.768 37.289 -25.680 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.882 38.633 -24.920 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.360 40.634 -27.212 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.569 41.036 -25.491 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.910 41.290 -26.633 1.00 0.00 H new ATOM 1404 N TYR A 90 86.268 37.593 -22.289 1.00 0.00 N ATOM 1405 CA TYR A 90 85.836 36.389 -21.591 1.00 0.00 C ATOM 1406 C TYR A 90 84.807 36.722 -20.515 1.00 0.00 C ATOM 1407 O TYR A 90 83.888 35.947 -20.258 1.00 0.00 O ATOM 1408 CB TYR A 90 87.036 35.679 -20.963 1.00 0.00 C ATOM 1409 CG TYR A 90 86.657 34.498 -20.099 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.338 34.668 -18.757 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.619 33.212 -20.623 1.00 0.00 C ATOM 1412 CE1 TYR A 90 85.991 33.591 -17.963 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.272 32.130 -19.837 1.00 0.00 C ATOM 1414 CZ TYR A 90 85.960 32.325 -18.508 1.00 0.00 C ATOM 1415 OH TYR A 90 85.615 31.249 -17.722 1.00 0.00 O ATOM 0 H TYR A 90 87.276 37.751 -22.273 1.00 0.00 H new ATOM 0 HA TYR A 90 85.371 35.725 -22.320 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.702 35.339 -21.756 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.596 36.394 -20.361 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.362 35.658 -18.327 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.865 33.055 -21.663 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.746 33.740 -16.922 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.245 31.137 -20.261 1.00 0.00 H new ATOM 0 HH TYR A 90 85.641 30.430 -18.259 1.00 0.00 H new ATOM 1425 N ASN A 91 84.971 37.884 -19.889 1.00 0.00 N ATOM 1426 CA ASN A 91 84.058 38.322 -18.840 1.00 0.00 C ATOM 1427 C ASN A 91 82.792 38.928 -19.439 1.00 0.00 C ATOM 1428 O ASN A 91 81.682 38.660 -18.976 1.00 0.00 O ATOM 1429 CB ASN A 91 84.744 39.343 -17.931 1.00 0.00 C ATOM 1430 CG ASN A 91 85.677 38.690 -16.930 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.371 37.634 -16.376 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.823 39.318 -16.692 1.00 0.00 N ATOM 0 H ASN A 91 85.727 38.538 -20.090 1.00 0.00 H new ATOM 0 HA ASN A 91 83.778 37.450 -18.249 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.307 40.049 -18.542 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.987 39.917 -17.397 1.00 0.00 H new ATOM 0 HD21 ASN A 91 87.490 38.927 -16.027 1.00 0.00 H new ATOM 0 HD22 ASN A 91 87.036 40.191 -17.174 1.00 0.00 H new ATOM 1439 N THR A 92 82.965 39.746 -20.472 1.00 0.00 N ATOM 1440 CA THR A 92 81.838 40.390 -21.135 1.00 0.00 C ATOM 1441 C THR A 92 80.818 39.362 -21.609 1.00 0.00 C ATOM 1442 O THR A 92 79.613 39.606 -21.569 1.00 0.00 O ATOM 1443 CB THR A 92 82.301 41.232 -22.339 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.251 42.215 -21.914 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.118 41.917 -23.007 1.00 0.00 C ATOM 0 H THR A 92 83.876 39.978 -20.868 1.00 0.00 H new ATOM 0 HA THR A 92 81.372 41.047 -20.400 1.00 0.00 H new ATOM 0 HB THR A 92 82.770 40.565 -23.062 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.094 41.775 -21.679 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.469 42.506 -23.854 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.411 41.164 -23.356 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.624 42.573 -22.290 1.00 0.00 H new ATOM 1453 N GLU A 93 81.310 38.211 -22.058 1.00 0.00 N ATOM 1454 CA GLU A 93 80.439 37.146 -22.541 1.00 0.00 C ATOM 1455 C GLU A 93 79.632 36.541 -21.395 1.00 0.00 C ATOM 1456 O GLU A 93 78.538 36.017 -21.601 1.00 0.00 O ATOM 1457 CB GLU A 93 81.263 36.056 -23.230 1.00 0.00 C ATOM 1458 CG GLU A 93 81.938 36.520 -24.510 1.00 0.00 C ATOM 1459 CD GLU A 93 81.794 35.520 -25.640 1.00 0.00 C ATOM 1460 OE1 GLU A 93 82.344 34.405 -25.519 1.00 0.00 O ATOM 1461 OE2 GLU A 93 81.132 35.852 -26.646 1.00 0.00 O ATOM 0 H GLU A 93 82.306 37.993 -22.097 1.00 0.00 H new ATOM 0 HA GLU A 93 79.745 37.578 -23.262 1.00 0.00 H new ATOM 0 HB2 GLU A 93 82.024 35.696 -22.538 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.614 35.211 -23.458 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.510 37.474 -24.817 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.996 36.694 -24.316 1.00 0.00 H new ATOM 1468 N VAL A 94 80.182 36.618 -20.187 1.00 0.00 N ATOM 1469 CA VAL A 94 79.515 36.080 -19.008 1.00 0.00 C ATOM 1470 C VAL A 94 78.495 37.069 -18.454 1.00 0.00 C ATOM 1471 O VAL A 94 77.521 36.678 -17.810 1.00 0.00 O ATOM 1472 CB VAL A 94 80.527 35.729 -17.902 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.810 35.189 -16.674 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.551 34.728 -18.415 1.00 0.00 C ATOM 0 H VAL A 94 81.088 37.048 -20.000 1.00 0.00 H new ATOM 0 HA VAL A 94 79.002 35.171 -19.322 1.00 0.00 H new ATOM 0 HB VAL A 94 81.055 36.638 -17.614 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.541 34.946 -15.903 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.120 35.943 -16.295 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.255 34.290 -16.943 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.258 34.491 -17.620 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.043 33.817 -18.731 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.087 35.157 -19.262 1.00 0.00 H new ATOM 1484 N LEU A 95 78.726 38.352 -18.708 1.00 0.00 N ATOM 1485 CA LEU A 95 77.827 39.399 -18.235 1.00 0.00 C ATOM 1486 C LEU A 95 76.652 39.581 -19.191 1.00 0.00 C ATOM 1487 O LEU A 95 75.492 39.451 -18.798 1.00 0.00 O ATOM 1488 CB LEU A 95 78.585 40.719 -18.084 1.00 0.00 C ATOM 1489 CG LEU A 95 79.785 40.699 -17.137 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.609 41.968 -17.292 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.324 40.534 -15.696 1.00 0.00 C ATOM 0 H LEU A 95 79.528 38.693 -19.239 1.00 0.00 H new ATOM 0 HA LEU A 95 77.437 39.097 -17.263 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.930 41.031 -19.070 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.885 41.479 -17.736 1.00 0.00 H new ATOM 0 HG LEU A 95 80.414 39.848 -17.397 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.459 41.936 -16.610 1.00 0.00 H new ATOM 0 HD12 LEU A 95 80.970 42.045 -18.318 1.00 0.00 H new ATOM 0 HD13 LEU A 95 79.990 42.834 -17.059 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.191 40.522 -15.036 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.673 41.365 -15.425 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.777 39.597 -15.594 1.00 0.00 H new ATOM 1503 N LEU A 96 76.960 39.881 -20.448 1.00 0.00 N ATOM 1504 CA LEU A 96 75.930 40.078 -21.462 1.00 0.00 C ATOM 1505 C LEU A 96 74.993 38.877 -21.528 1.00 0.00 C ATOM 1506 O LEU A 96 73.771 39.029 -21.540 1.00 0.00 O ATOM 1507 CB LEU A 96 76.571 40.315 -22.830 1.00 0.00 C ATOM 1508 CG LEU A 96 75.643 40.842 -23.925 1.00 0.00 C ATOM 1509 CD1 LEU A 96 75.017 42.163 -23.504 1.00 0.00 C ATOM 1510 CD2 LEU A 96 76.400 41.002 -25.235 1.00 0.00 C ATOM 0 H LEU A 96 77.915 39.993 -20.789 1.00 0.00 H new ATOM 0 HA LEU A 96 75.346 40.956 -21.185 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.392 41.021 -22.707 1.00 0.00 H new ATOM 0 HB3 LEU A 96 77.007 39.376 -23.172 1.00 0.00 H new ATOM 0 HG LEU A 96 74.844 40.117 -24.077 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.360 42.523 -24.296 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.440 42.017 -22.591 1.00 0.00 H new ATOM 0 HD13 LEU A 96 75.803 42.897 -23.323 1.00 0.00 H new ATOM 0 HD21 LEU A 96 75.724 41.378 -26.003 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.220 41.707 -25.098 1.00 0.00 H new ATOM 0 HD23 LEU A 96 76.799 40.036 -25.545 1.00 0.00 H new ATOM 1522 N SER A 97 75.574 37.682 -21.568 1.00 0.00 N ATOM 1523 CA SER A 97 74.791 36.453 -21.634 1.00 0.00 C ATOM 1524 C SER A 97 73.788 36.386 -20.486 1.00 0.00 C ATOM 1525 O SER A 97 72.634 36.000 -20.676 1.00 0.00 O ATOM 1526 CB SER A 97 75.713 35.233 -21.592 1.00 0.00 C ATOM 1527 OG SER A 97 74.974 34.031 -21.718 1.00 0.00 O ATOM 0 H SER A 97 76.584 37.539 -21.556 1.00 0.00 H new ATOM 0 HA SER A 97 74.241 36.452 -22.575 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.446 35.299 -22.396 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.269 35.225 -20.654 1.00 0.00 H new ATOM 0 HG SER A 97 75.586 33.266 -21.690 1.00 0.00 H new ATOM 1533 N HIS A 98 74.237 36.763 -19.293 1.00 0.00 N ATOM 1534 CA HIS A 98 73.380 36.747 -18.113 1.00 0.00 C ATOM 1535 C HIS A 98 72.252 37.766 -18.247 1.00 0.00 C ATOM 1536 O HIS A 98 71.083 37.445 -18.032 1.00 0.00 O ATOM 1537 CB HIS A 98 74.200 37.038 -16.856 1.00 0.00 C ATOM 1538 CG HIS A 98 73.609 36.460 -15.608 1.00 0.00 C ATOM 1539 ND1 HIS A 98 74.180 35.759 -14.600 1.00 0.00 N flip ATOM 1540 CD2 HIS A 98 72.273 36.574 -15.285 1.00 0.00 C flip ATOM 1541 CE1 HIS A 98 73.189 35.466 -13.696 1.00 0.00 C flip ATOM 1542 NE2 HIS A 98 72.048 35.969 -14.132 1.00 0.00 N flip ATOM 0 H HIS A 98 75.189 37.083 -19.118 1.00 0.00 H new ATOM 0 HA HIS A 98 72.940 35.753 -18.028 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.206 36.641 -16.989 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.296 38.117 -16.737 1.00 0.00 H new ATOM 0 HD2 HIS A 98 71.527 37.079 -15.881 1.00 0.00 H new ATOM 0 HE1 HIS A 98 73.321 34.914 -12.777 1.00 0.00 H new ATOM 0 HE2 HIS A 98 71.147 35.902 -13.659 1.00 0.00 H new ATOM 1550 N LEU A 99 72.611 38.995 -18.601 1.00 0.00 N ATOM 1551 CA LEU A 99 71.630 40.062 -18.762 1.00 0.00 C ATOM 1552 C LEU A 99 70.593 39.693 -19.818 1.00 0.00 C ATOM 1553 O LEU A 99 69.460 40.175 -19.786 1.00 0.00 O ATOM 1554 CB LEU A 99 72.326 41.368 -19.150 1.00 0.00 C ATOM 1555 CG LEU A 99 72.379 42.447 -18.067 1.00 0.00 C ATOM 1556 CD1 LEU A 99 72.957 41.883 -16.779 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.196 43.640 -18.543 1.00 0.00 C ATOM 0 H LEU A 99 73.574 39.277 -18.782 1.00 0.00 H new ATOM 0 HA LEU A 99 71.119 40.199 -17.809 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.347 41.136 -19.454 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.820 41.781 -20.022 1.00 0.00 H new ATOM 0 HG LEU A 99 71.362 42.784 -17.867 1.00 0.00 H new ATOM 0 HD11 LEU A 99 72.987 42.665 -16.020 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.332 41.061 -16.429 1.00 0.00 H new ATOM 0 HD13 LEU A 99 73.967 41.517 -16.963 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.223 44.398 -17.760 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.212 43.317 -18.771 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.739 44.060 -19.439 1.00 0.00 H new ATOM 1569 N SER A 100 70.986 38.833 -20.752 1.00 0.00 N ATOM 1570 CA SER A 100 70.091 38.400 -21.819 1.00 0.00 C ATOM 1571 C SER A 100 69.303 37.164 -21.397 1.00 0.00 C ATOM 1572 O SER A 100 68.200 36.921 -21.888 1.00 0.00 O ATOM 1573 CB SER A 100 70.887 38.102 -23.091 1.00 0.00 C ATOM 1574 OG SER A 100 70.048 37.580 -24.107 1.00 0.00 O ATOM 0 H SER A 100 71.919 38.422 -20.792 1.00 0.00 H new ATOM 0 HA SER A 100 69.387 39.207 -22.021 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.368 39.014 -23.445 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.681 37.389 -22.868 1.00 0.00 H new ATOM 0 HG SER A 100 70.580 37.399 -24.910 1.00 0.00 H new ATOM 1580 N TYR A 101 69.876 36.387 -20.485 1.00 0.00 N ATOM 1581 CA TYR A 101 69.228 35.174 -19.999 1.00 0.00 C ATOM 1582 C TYR A 101 68.095 35.511 -19.035 1.00 0.00 C ATOM 1583 O TYR A 101 67.140 34.747 -18.890 1.00 0.00 O ATOM 1584 CB TYR A 101 70.249 34.269 -19.307 1.00 0.00 C ATOM 1585 CG TYR A 101 69.631 33.064 -18.633 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.170 33.136 -17.325 1.00 0.00 C ATOM 1587 CD2 TYR A 101 69.509 31.854 -19.305 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.605 32.038 -16.705 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.945 30.752 -18.694 1.00 0.00 C ATOM 1590 CZ TYR A 101 68.494 30.848 -17.394 1.00 0.00 C ATOM 1591 OH TYR A 101 67.933 29.752 -16.781 1.00 0.00 O ATOM 0 H TYR A 101 70.787 36.575 -20.067 1.00 0.00 H new ATOM 0 HA TYR A 101 68.807 34.648 -20.856 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.978 33.929 -20.042 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.793 34.851 -18.564 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.255 34.066 -16.783 1.00 0.00 H new ATOM 0 HD2 TYR A 101 69.861 31.774 -20.323 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.252 32.111 -15.687 1.00 0.00 H new ATOM 0 HE2 TYR A 101 68.857 29.819 -19.231 1.00 0.00 H new ATOM 0 HH TYR A 101 67.929 28.995 -17.404 1.00 0.00 H new ATOM 1601 N LEU A 102 68.206 36.661 -18.380 1.00 0.00 N ATOM 1602 CA LEU A 102 67.191 37.102 -17.429 1.00 0.00 C ATOM 1603 C LEU A 102 65.958 37.629 -18.156 1.00 0.00 C ATOM 1604 O LEU A 102 64.842 37.164 -17.923 1.00 0.00 O ATOM 1605 CB LEU A 102 67.759 38.186 -16.512 1.00 0.00 C ATOM 1606 CG LEU A 102 68.871 37.745 -15.560 1.00 0.00 C ATOM 1607 CD1 LEU A 102 69.518 38.952 -14.899 1.00 0.00 C ATOM 1608 CD2 LEU A 102 68.326 36.787 -14.510 1.00 0.00 C ATOM 0 H LEU A 102 68.989 37.306 -18.490 1.00 0.00 H new ATOM 0 HA LEU A 102 66.896 36.244 -16.826 1.00 0.00 H new ATOM 0 HB2 LEU A 102 68.140 38.996 -17.133 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.942 38.597 -15.919 1.00 0.00 H new ATOM 0 HG LEU A 102 69.632 37.222 -16.139 1.00 0.00 H new ATOM 0 HD11 LEU A 102 70.307 38.618 -14.225 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.945 39.601 -15.664 1.00 0.00 H new ATOM 0 HD13 LEU A 102 68.767 39.503 -14.333 1.00 0.00 H new ATOM 0 HD21 LEU A 102 69.131 36.484 -13.841 1.00 0.00 H new ATOM 0 HD22 LEU A 102 67.545 37.284 -13.935 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.911 35.907 -15.001 1.00 0.00 H new