USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=18 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 64:sc= -0.0997 USER MOD Set 1.2: A 91 ASN : amide:sc= -0.771 K(o=-0.87,f=-5.3!) USER MOD Set 2.1: A 70 MET CE :methyl -139:sc= -0.171 (180deg=-0.889) USER MOD Set 2.2: A 78 MET CE :methyl -151:sc= -0.227 (180deg=-1.04) USER MOD Set 3.1: A 57 TYR OH : rot 150:sc= 0 USER MOD Set 3.2: A 98 HIS : no HE2:sc= -0.347 K(o=-0.35,f=-2.3) USER MOD Set 4.1: A 42 THR OG1 : rot 180:sc= 0.0421 USER MOD Set 4.2: A 43 GLN :FLIP amide:sc= 0.26 F(o=-0.22,f=0.3) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-4.1!) USER MOD Single : A 48 GLN : amide:sc= -0.0512 K(o=-0.051,f=-2.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -32:sc= 0.419 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 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2.82 K(o=-2.8,f=-5.7!) USER MOD Single : A 69 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -170:sc= -0.273 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (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 64:sc= 0.958 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -8:sc= -0.0683 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 459 N ILE A 33 66.083 37.776 -6.126 1.00 0.00 N ATOM 460 CA ILE A 33 67.333 37.920 -6.862 1.00 0.00 C ATOM 461 C ILE A 33 67.174 38.884 -8.033 1.00 0.00 C ATOM 462 O ILE A 33 68.128 39.549 -8.437 1.00 0.00 O ATOM 463 CB ILE A 33 67.834 36.564 -7.392 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.251 36.702 -7.952 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.887 36.029 -8.457 1.00 0.00 C ATOM 466 CD1 ILE A 33 69.927 35.376 -8.220 1.00 0.00 C ATOM 0 HA ILE A 33 68.066 38.320 -6.162 1.00 0.00 H new ATOM 0 HB ILE A 33 67.858 35.854 -6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.212 37.275 -8.879 1.00 0.00 H new ATOM 0 HG13 ILE A 33 69.857 37.274 -7.249 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.254 35.070 -8.822 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.894 35.897 -8.028 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.834 36.736 -9.285 1.00 0.00 H new ATOM 0 HD11 ILE A 33 70.928 35.551 -8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 33 69.998 34.809 -7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.344 34.810 -8.947 1.00 0.00 H new ATOM 478 N VAL A 34 65.961 38.956 -8.573 1.00 0.00 N ATOM 479 CA VAL A 34 65.676 39.841 -9.695 1.00 0.00 C ATOM 480 C VAL A 34 64.206 40.244 -9.717 1.00 0.00 C ATOM 481 O VAL A 34 63.309 39.431 -9.493 1.00 0.00 O ATOM 482 CB VAL A 34 66.034 39.177 -11.038 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.090 39.646 -12.135 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.481 39.469 -11.407 1.00 0.00 C ATOM 0 H VAL A 34 65.161 38.412 -8.251 1.00 0.00 H new ATOM 0 HA VAL A 34 66.292 40.730 -9.561 1.00 0.00 H new ATOM 0 HB VAL A 34 65.920 38.098 -10.932 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.359 39.166 -13.076 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.066 39.381 -11.872 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.168 40.728 -12.244 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.717 38.992 -12.358 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.624 40.546 -11.495 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.140 39.078 -10.632 1.00 0.00 H new ATOM 494 N PRO A 35 63.950 41.532 -9.993 1.00 0.00 N ATOM 495 CA PRO A 35 62.589 42.073 -10.052 1.00 0.00 C ATOM 496 C PRO A 35 61.811 41.558 -11.258 1.00 0.00 C ATOM 497 O PRO A 35 60.672 41.111 -11.129 1.00 0.00 O ATOM 498 CB PRO A 35 62.813 43.583 -10.165 1.00 0.00 C ATOM 499 CG PRO A 35 64.163 43.721 -10.778 1.00 0.00 C ATOM 500 CD PRO A 35 64.969 42.558 -10.271 1.00 0.00 C ATOM 0 HA PRO A 35 61.996 41.779 -9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.048 44.051 -10.784 1.00 0.00 H new ATOM 0 HB3 PRO A 35 62.771 44.064 -9.188 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.101 43.708 -11.866 1.00 0.00 H new ATOM 0 HG3 PRO A 35 64.624 44.668 -10.497 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.691 42.216 -11.012 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.531 42.819 -9.375 1.00 0.00 H new ATOM 508 N ALA A 36 62.435 41.623 -12.430 1.00 0.00 N ATOM 509 CA ALA A 36 61.802 41.160 -13.658 1.00 0.00 C ATOM 510 C ALA A 36 62.742 41.308 -14.850 1.00 0.00 C ATOM 511 O ALA A 36 63.174 40.317 -15.439 1.00 0.00 O ATOM 512 CB ALA A 36 60.509 41.923 -13.906 1.00 0.00 C ATOM 0 H ALA A 36 63.378 41.992 -12.554 1.00 0.00 H new ATOM 0 HA ALA A 36 61.570 40.102 -13.541 1.00 0.00 H new ATOM 0 HB1 ALA A 36 60.047 41.567 -14.827 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.826 41.763 -13.072 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.726 42.987 -13.997 1.00 0.00 H new ATOM 518 N ASP A 37 63.054 42.551 -15.200 1.00 0.00 N ATOM 519 CA ASP A 37 63.944 42.828 -16.322 1.00 0.00 C ATOM 520 C ASP A 37 65.134 43.672 -15.876 1.00 0.00 C ATOM 521 O ASP A 37 65.107 44.325 -14.832 1.00 0.00 O ATOM 522 CB ASP A 37 63.184 43.546 -17.438 1.00 0.00 C ATOM 523 CG ASP A 37 62.679 42.591 -18.502 1.00 0.00 C ATOM 524 OD1 ASP A 37 61.930 41.655 -18.152 1.00 0.00 O ATOM 525 OD2 ASP A 37 63.033 42.780 -19.684 1.00 0.00 O ATOM 0 H ASP A 37 62.704 43.382 -14.724 1.00 0.00 H new ATOM 0 HA ASP A 37 64.318 41.877 -16.701 1.00 0.00 H new ATOM 0 HB2 ASP A 37 62.340 44.087 -17.009 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.837 44.287 -17.899 1.00 0.00 H new ATOM 530 N PRO A 38 66.204 43.660 -16.683 1.00 0.00 N ATOM 531 CA PRO A 38 67.424 44.419 -16.392 1.00 0.00 C ATOM 532 C PRO A 38 67.217 45.924 -16.527 1.00 0.00 C ATOM 533 O PRO A 38 68.071 46.717 -16.128 1.00 0.00 O ATOM 534 CB PRO A 38 68.414 43.918 -17.448 1.00 0.00 C ATOM 535 CG PRO A 38 67.560 43.446 -18.573 1.00 0.00 C ATOM 536 CD PRO A 38 66.306 42.905 -17.944 1.00 0.00 C ATOM 0 HA PRO A 38 67.762 44.270 -15.366 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.087 44.713 -17.768 1.00 0.00 H new ATOM 0 HB3 PRO A 38 69.035 43.112 -17.057 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.332 44.262 -19.258 1.00 0.00 H new ATOM 0 HG3 PRO A 38 68.069 42.676 -19.153 1.00 0.00 H new ATOM 0 HD2 PRO A 38 65.436 43.066 -18.580 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.377 41.832 -17.765 1.00 0.00 H new ATOM 544 N THR A 39 66.078 46.311 -17.092 1.00 0.00 N ATOM 545 CA THR A 39 65.759 47.721 -17.281 1.00 0.00 C ATOM 546 C THR A 39 65.184 48.329 -16.007 1.00 0.00 C ATOM 547 O THR A 39 65.391 49.510 -15.722 1.00 0.00 O ATOM 548 CB THR A 39 64.755 47.921 -18.431 1.00 0.00 C ATOM 549 OG1 THR A 39 63.562 47.171 -18.176 1.00 0.00 O ATOM 550 CG2 THR A 39 65.359 47.487 -19.758 1.00 0.00 C ATOM 0 H THR A 39 65.361 45.668 -17.427 1.00 0.00 H new ATOM 0 HA THR A 39 66.692 48.226 -17.533 1.00 0.00 H new ATOM 0 HB THR A 39 64.511 48.982 -18.490 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.928 47.305 -18.911 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.631 47.637 -20.556 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.250 48.080 -19.963 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.629 46.432 -19.707 1.00 0.00 H new ATOM 558 N LEU A 40 64.460 47.518 -15.244 1.00 0.00 N ATOM 559 CA LEU A 40 63.855 47.976 -13.998 1.00 0.00 C ATOM 560 C LEU A 40 64.695 47.555 -12.797 1.00 0.00 C ATOM 561 O LEU A 40 64.161 47.125 -11.774 1.00 0.00 O ATOM 562 CB LEU A 40 62.436 47.420 -13.863 1.00 0.00 C ATOM 563 CG LEU A 40 61.494 47.694 -15.036 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.356 46.685 -15.053 1.00 0.00 C ATOM 565 CD2 LEU A 40 60.949 49.113 -14.963 1.00 0.00 C ATOM 0 H LEU A 40 64.277 46.539 -15.466 1.00 0.00 H new ATOM 0 HA LEU A 40 63.811 49.065 -14.023 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.502 46.341 -13.720 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.989 47.835 -12.959 1.00 0.00 H new ATOM 0 HG LEU A 40 62.059 47.590 -15.962 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.696 46.895 -15.894 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.763 45.679 -15.154 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.792 46.757 -14.123 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.281 49.290 -15.806 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.400 49.244 -14.031 1.00 0.00 H new ATOM 0 HD23 LEU A 40 61.776 49.823 -15.000 1.00 0.00 H new ATOM 577 N TRP A 41 66.010 47.683 -12.927 1.00 0.00 N ATOM 578 CA TRP A 41 66.924 47.318 -11.851 1.00 0.00 C ATOM 579 C TRP A 41 67.277 48.533 -11.000 1.00 0.00 C ATOM 580 O TRP A 41 67.197 49.672 -11.462 1.00 0.00 O ATOM 581 CB TRP A 41 68.197 46.694 -12.425 1.00 0.00 C ATOM 582 CG TRP A 41 68.123 45.202 -12.552 1.00 0.00 C ATOM 583 CD1 TRP A 41 66.991 44.441 -12.625 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.225 44.292 -12.620 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.324 43.113 -12.733 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.688 42.995 -12.734 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.614 44.446 -12.598 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.493 41.862 -12.823 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.411 43.321 -12.687 1.00 0.00 C ATOM 590 CH2 TRP A 41 70.849 42.042 -12.799 1.00 0.00 C ATOM 0 H TRP A 41 66.468 48.037 -13.767 1.00 0.00 H new ATOM 0 HA TRP A 41 66.424 46.587 -11.216 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.394 47.126 -13.406 1.00 0.00 H new ATOM 0 HB3 TRP A 41 69.041 46.956 -11.787 1.00 0.00 H new ATOM 0 HD1 TRP A 41 65.983 44.827 -12.601 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.662 42.340 -12.801 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.057 45.427 -12.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.062 40.875 -12.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.485 43.429 -12.670 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.499 41.182 -12.868 1.00 0.00 H new ATOM 601 N THR A 42 67.669 48.284 -9.755 1.00 0.00 N ATOM 602 CA THR A 42 68.034 49.359 -8.839 1.00 0.00 C ATOM 603 C THR A 42 69.508 49.282 -8.462 1.00 0.00 C ATOM 604 O THR A 42 70.175 48.282 -8.727 1.00 0.00 O ATOM 605 CB THR A 42 67.183 49.315 -7.556 1.00 0.00 C ATOM 606 OG1 THR A 42 67.458 50.465 -6.747 1.00 0.00 O ATOM 607 CG2 THR A 42 67.468 48.050 -6.760 1.00 0.00 C ATOM 0 H THR A 42 67.742 47.348 -9.357 1.00 0.00 H new ATOM 0 HA THR A 42 67.844 50.298 -9.360 1.00 0.00 H new ATOM 0 HB THR A 42 66.132 49.315 -7.844 1.00 0.00 H new ATOM 0 HG1 THR A 42 66.912 50.431 -5.934 1.00 0.00 H new ATOM 0 HG21 THR A 42 66.855 48.042 -5.859 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.231 47.177 -7.368 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.522 48.024 -6.483 1.00 0.00 H new ATOM 615 N GLN A 43 70.011 50.344 -7.841 1.00 0.00 N ATOM 616 CA GLN A 43 71.408 50.396 -7.427 1.00 0.00 C ATOM 617 C GLN A 43 71.767 49.186 -6.570 1.00 0.00 C ATOM 618 O GLN A 43 72.907 48.723 -6.582 1.00 0.00 O ATOM 619 CB GLN A 43 71.685 51.685 -6.651 1.00 0.00 C ATOM 620 CG GLN A 43 70.785 51.871 -5.440 1.00 0.00 C ATOM 621 CD GLN A 43 69.901 53.098 -5.552 1.00 0.00 C ATOM 622 OE1 GLN A 43 70.519 54.273 -5.570 1.00 0.00 O flip ATOM 623 NE2 GLN A 43 68.677 52.991 -5.622 1.00 0.00 N flip ATOM 0 H GLN A 43 69.472 51.180 -7.614 1.00 0.00 H new ATOM 0 HA GLN A 43 72.027 50.380 -8.324 1.00 0.00 H new ATOM 0 HB2 GLN A 43 72.725 51.686 -6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 43 71.560 52.536 -7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.159 50.987 -5.318 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.400 51.952 -4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 43 68.244 52.068 -5.605 1.00 0.00 H new ATOM 0 HE22 GLN A 43 68.096 53.826 -5.697 1.00 0.00 H new ATOM 632 N GLU A 44 70.787 48.681 -5.828 1.00 0.00 N ATOM 633 CA GLU A 44 71.002 47.525 -4.965 1.00 0.00 C ATOM 634 C GLU A 44 71.230 46.263 -5.792 1.00 0.00 C ATOM 635 O GLU A 44 71.967 45.365 -5.384 1.00 0.00 O ATOM 636 CB GLU A 44 69.804 47.328 -4.033 1.00 0.00 C ATOM 637 CG GLU A 44 70.163 46.666 -2.713 1.00 0.00 C ATOM 638 CD GLU A 44 69.125 46.912 -1.636 1.00 0.00 C ATOM 639 OE1 GLU A 44 68.801 48.092 -1.384 1.00 0.00 O ATOM 640 OE2 GLU A 44 68.637 45.927 -1.044 1.00 0.00 O ATOM 0 H GLU A 44 69.838 49.053 -5.807 1.00 0.00 H new ATOM 0 HA GLU A 44 71.893 47.711 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.348 48.297 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.054 46.722 -4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 44 70.274 45.593 -2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 44 71.129 47.040 -2.374 1.00 0.00 H new ATOM 647 N HIS A 45 70.592 46.203 -6.957 1.00 0.00 N ATOM 648 CA HIS A 45 70.725 45.051 -7.842 1.00 0.00 C ATOM 649 C HIS A 45 71.985 45.164 -8.694 1.00 0.00 C ATOM 650 O HIS A 45 72.713 44.188 -8.876 1.00 0.00 O ATOM 651 CB HIS A 45 69.496 44.929 -8.743 1.00 0.00 C ATOM 652 CG HIS A 45 68.310 44.322 -8.059 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.100 44.972 -7.931 1.00 0.00 N ATOM 654 CD2 HIS A 45 68.151 43.115 -7.466 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.250 44.192 -7.287 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.863 43.060 -6.994 1.00 0.00 N ATOM 0 H HIS A 45 69.979 46.938 -7.310 1.00 0.00 H new ATOM 0 HA HIS A 45 70.804 44.156 -7.224 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.226 45.919 -9.111 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.752 44.324 -9.613 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.898 42.340 -7.380 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.227 44.439 -7.042 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.447 42.272 -6.497 1.00 0.00 H new ATOM 664 N VAL A 46 72.237 46.361 -9.214 1.00 0.00 N ATOM 665 CA VAL A 46 73.410 46.601 -10.047 1.00 0.00 C ATOM 666 C VAL A 46 74.692 46.230 -9.311 1.00 0.00 C ATOM 667 O VAL A 46 75.696 45.878 -9.930 1.00 0.00 O ATOM 668 CB VAL A 46 73.493 48.074 -10.488 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.675 48.287 -11.421 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.194 48.505 -11.153 1.00 0.00 C ATOM 0 H VAL A 46 71.645 47.180 -9.073 1.00 0.00 H new ATOM 0 HA VAL A 46 73.306 45.970 -10.930 1.00 0.00 H new ATOM 0 HB VAL A 46 73.644 48.692 -9.603 1.00 0.00 H new ATOM 0 HG11 VAL A 46 74.717 49.334 -11.722 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.598 48.020 -10.906 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.558 47.660 -12.305 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.270 49.549 -11.458 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.010 47.883 -12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.370 48.392 -10.449 1.00 0.00 H new ATOM 680 N ARG A 47 74.651 46.309 -7.985 1.00 0.00 N ATOM 681 CA ARG A 47 75.810 45.982 -7.163 1.00 0.00 C ATOM 682 C ARG A 47 75.818 44.500 -6.800 1.00 0.00 C ATOM 683 O ARG A 47 76.796 43.796 -7.052 1.00 0.00 O ATOM 684 CB ARG A 47 75.815 46.830 -5.890 1.00 0.00 C ATOM 685 CG ARG A 47 76.844 47.948 -5.907 1.00 0.00 C ATOM 686 CD ARG A 47 78.193 47.472 -5.393 1.00 0.00 C ATOM 687 NE ARG A 47 79.262 48.418 -5.703 1.00 0.00 N ATOM 688 CZ ARG A 47 80.551 48.096 -5.704 1.00 0.00 C ATOM 689 NH1 ARG A 47 80.929 46.859 -5.412 1.00 0.00 N ATOM 690 NH2 ARG A 47 81.464 49.012 -5.997 1.00 0.00 N ATOM 0 H ARG A 47 73.827 46.597 -7.457 1.00 0.00 H new ATOM 0 HA ARG A 47 76.708 46.202 -7.741 1.00 0.00 H new ATOM 0 HB2 ARG A 47 74.824 47.262 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 47 76.007 46.184 -5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 47 76.954 48.327 -6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 47 76.492 48.777 -5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 47 78.139 47.327 -4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 47 78.427 46.503 -5.834 1.00 0.00 H new ATOM 0 HE ARG A 47 79.005 49.378 -5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 47 80.229 46.152 -5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 47 81.919 46.615 -5.414 1.00 0.00 H new ATOM 0 HH21 ARG A 47 81.177 49.965 -6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 47 82.453 48.764 -5.998 1.00 0.00 H new ATOM 704 N GLN A 48 74.723 44.034 -6.208 1.00 0.00 N ATOM 705 CA GLN A 48 74.606 42.637 -5.810 1.00 0.00 C ATOM 706 C GLN A 48 74.902 41.710 -6.984 1.00 0.00 C ATOM 707 O GLN A 48 75.680 40.764 -6.859 1.00 0.00 O ATOM 708 CB GLN A 48 73.205 42.356 -5.265 1.00 0.00 C ATOM 709 CG GLN A 48 72.998 42.843 -3.839 1.00 0.00 C ATOM 710 CD GLN A 48 73.502 41.855 -2.806 1.00 0.00 C ATOM 711 OE1 GLN A 48 74.659 41.434 -2.846 1.00 0.00 O ATOM 712 NE2 GLN A 48 72.635 41.479 -1.873 1.00 0.00 N ATOM 0 H GLN A 48 73.905 44.604 -5.994 1.00 0.00 H new ATOM 0 HA GLN A 48 75.339 42.446 -5.026 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.470 42.833 -5.913 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.017 41.283 -5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 48 73.511 43.795 -3.706 1.00 0.00 H new ATOM 0 HG3 GLN A 48 71.937 43.027 -3.672 1.00 0.00 H new ATOM 0 HE21 GLN A 48 71.686 41.853 -1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 48 72.918 40.816 -1.151 1.00 0.00 H new ATOM 721 N TRP A 49 74.278 41.987 -8.123 1.00 0.00 N ATOM 722 CA TRP A 49 74.475 41.177 -9.320 1.00 0.00 C ATOM 723 C TRP A 49 75.959 41.025 -9.635 1.00 0.00 C ATOM 724 O TRP A 49 76.432 39.926 -9.929 1.00 0.00 O ATOM 725 CB TRP A 49 73.749 41.805 -10.511 1.00 0.00 C ATOM 726 CG TRP A 49 74.046 41.124 -11.813 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.702 39.852 -12.170 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.749 41.680 -12.929 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.149 39.583 -13.441 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.794 40.689 -13.929 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.343 42.919 -13.183 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.410 40.900 -15.160 1.00 0.00 C ATOM 733 CZ3 TRP A 49 75.955 43.127 -14.404 1.00 0.00 C ATOM 734 CH2 TRP A 49 75.984 42.123 -15.381 1.00 0.00 C ATOM 0 H TRP A 49 73.631 42.766 -8.243 1.00 0.00 H new ATOM 0 HA TRP A 49 74.059 40.187 -9.132 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.675 41.775 -10.330 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.030 42.856 -10.586 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.158 39.159 -11.545 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.021 38.703 -13.940 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.324 43.700 -12.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.434 40.126 -15.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.419 44.080 -14.609 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.468 42.318 -16.326 1.00 0.00 H new ATOM 745 N LEU A 50 76.689 42.133 -9.574 1.00 0.00 N ATOM 746 CA LEU A 50 78.121 42.122 -9.853 1.00 0.00 C ATOM 747 C LEU A 50 78.869 41.275 -8.829 1.00 0.00 C ATOM 748 O LEU A 50 79.543 40.308 -9.183 1.00 0.00 O ATOM 749 CB LEU A 50 78.672 43.549 -9.851 1.00 0.00 C ATOM 750 CG LEU A 50 79.843 43.818 -10.797 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.336 44.165 -12.189 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.722 44.935 -10.254 1.00 0.00 C ATOM 0 H LEU A 50 76.313 43.050 -9.334 1.00 0.00 H new ATOM 0 HA LEU A 50 78.270 41.683 -10.839 1.00 0.00 H new ATOM 0 HB2 LEU A 50 77.861 44.231 -10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 50 78.987 43.794 -8.837 1.00 0.00 H new ATOM 0 HG LEU A 50 80.444 42.911 -10.867 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.183 44.353 -12.848 1.00 0.00 H new ATOM 0 HD12 LEU A 50 78.749 43.334 -12.580 1.00 0.00 H new ATOM 0 HD13 LEU A 50 78.712 45.057 -12.137 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.550 45.113 -10.940 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.132 45.846 -10.154 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.114 44.648 -9.279 1.00 0.00 H new ATOM 764 N GLU A 51 78.744 41.644 -7.558 1.00 0.00 N ATOM 765 CA GLU A 51 79.408 40.916 -6.483 1.00 0.00 C ATOM 766 C GLU A 51 79.071 39.429 -6.544 1.00 0.00 C ATOM 767 O GLU A 51 79.876 38.583 -6.152 1.00 0.00 O ATOM 768 CB GLU A 51 79.000 41.487 -5.123 1.00 0.00 C ATOM 769 CG GLU A 51 79.876 42.639 -4.659 1.00 0.00 C ATOM 770 CD GLU A 51 79.617 43.024 -3.215 1.00 0.00 C ATOM 771 OE1 GLU A 51 78.460 43.365 -2.890 1.00 0.00 O ATOM 772 OE2 GLU A 51 80.571 42.984 -2.411 1.00 0.00 O ATOM 0 H GLU A 51 78.190 42.442 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 51 80.484 41.033 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 51 77.966 41.827 -5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.036 40.691 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.924 42.363 -4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.701 43.504 -5.299 1.00 0.00 H new ATOM 779 N TRP A 52 77.878 39.119 -7.037 1.00 0.00 N ATOM 780 CA TRP A 52 77.434 37.734 -7.149 1.00 0.00 C ATOM 781 C TRP A 52 78.136 37.029 -8.304 1.00 0.00 C ATOM 782 O TRP A 52 78.701 35.949 -8.133 1.00 0.00 O ATOM 783 CB TRP A 52 75.918 37.677 -7.346 1.00 0.00 C ATOM 784 CG TRP A 52 75.384 36.280 -7.445 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.940 35.497 -6.417 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.240 35.500 -8.637 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.529 34.278 -6.899 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.702 34.255 -8.258 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.512 35.733 -9.988 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.432 33.249 -9.181 1.00 0.00 C ATOM 791 CZ3 TRP A 52 75.244 34.733 -10.903 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.708 33.504 -10.497 1.00 0.00 C ATOM 0 H TRP A 52 77.201 39.807 -7.366 1.00 0.00 H new ATOM 0 HA TRP A 52 77.692 37.220 -6.223 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.431 38.186 -6.514 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.656 38.224 -8.252 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.916 35.793 -5.379 1.00 0.00 H new ATOM 0 HE1 TRP A 52 74.155 33.514 -6.336 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.924 36.678 -10.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 74.019 32.301 -8.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.451 34.902 -11.949 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.509 32.743 -11.237 1.00 0.00 H new ATOM 803 N ALA A 53 78.096 37.646 -9.480 1.00 0.00 N ATOM 804 CA ALA A 53 78.731 37.078 -10.663 1.00 0.00 C ATOM 805 C ALA A 53 80.213 36.816 -10.419 1.00 0.00 C ATOM 806 O ALA A 53 80.707 35.716 -10.667 1.00 0.00 O ATOM 807 CB ALA A 53 78.546 38.003 -11.857 1.00 0.00 C ATOM 0 H ALA A 53 77.630 38.539 -9.639 1.00 0.00 H new ATOM 0 HA ALA A 53 78.251 36.123 -10.879 1.00 0.00 H new ATOM 0 HB1 ALA A 53 79.025 37.566 -12.733 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.482 38.135 -12.053 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.998 38.971 -11.641 1.00 0.00 H new ATOM 813 N ILE A 54 80.916 37.833 -9.932 1.00 0.00 N ATOM 814 CA ILE A 54 82.342 37.711 -9.654 1.00 0.00 C ATOM 815 C ILE A 54 82.614 36.585 -8.662 1.00 0.00 C ATOM 816 O ILE A 54 83.704 36.013 -8.639 1.00 0.00 O ATOM 817 CB ILE A 54 82.920 39.024 -9.094 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.692 40.169 -10.082 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.403 38.864 -8.794 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.883 41.541 -9.473 1.00 0.00 C ATOM 0 H ILE A 54 80.522 38.750 -9.722 1.00 0.00 H new ATOM 0 HA ILE A 54 82.830 37.483 -10.601 1.00 0.00 H new ATOM 0 HB ILE A 54 82.404 39.263 -8.164 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.377 40.055 -10.922 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.681 40.096 -10.483 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.797 39.800 -8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.542 38.072 -8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.934 38.605 -9.710 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.705 42.304 -10.231 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.180 41.675 -8.651 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.902 41.634 -9.097 1.00 0.00 H new ATOM 832 N LYS A 55 81.616 36.270 -7.844 1.00 0.00 N ATOM 833 CA LYS A 55 81.745 35.210 -6.851 1.00 0.00 C ATOM 834 C LYS A 55 81.453 33.847 -7.469 1.00 0.00 C ATOM 835 O LYS A 55 82.326 32.982 -7.527 1.00 0.00 O ATOM 836 CB LYS A 55 80.796 35.464 -5.678 1.00 0.00 C ATOM 837 CG LYS A 55 81.459 36.149 -4.496 1.00 0.00 C ATOM 838 CD LYS A 55 80.728 35.854 -3.197 1.00 0.00 C ATOM 839 CE LYS A 55 81.300 34.629 -2.501 1.00 0.00 C ATOM 840 NZ LYS A 55 80.251 33.864 -1.773 1.00 0.00 N ATOM 0 H LYS A 55 80.708 36.734 -7.849 1.00 0.00 H new ATOM 0 HA LYS A 55 82.772 35.211 -6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.963 36.077 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.377 34.513 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.494 35.816 -4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.482 37.226 -4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 55 80.799 36.717 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.669 35.696 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 55 81.776 33.982 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.076 34.938 -1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 80.681 33.037 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 79.814 34.473 -1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 79.524 33.546 -2.445 1.00 0.00 H new ATOM 854 N GLU A 56 80.220 33.664 -7.932 1.00 0.00 N ATOM 855 CA GLU A 56 79.814 32.405 -8.547 1.00 0.00 C ATOM 856 C GLU A 56 80.776 32.011 -9.664 1.00 0.00 C ATOM 857 O GLU A 56 81.460 30.991 -9.577 1.00 0.00 O ATOM 858 CB GLU A 56 78.392 32.517 -9.100 1.00 0.00 C ATOM 859 CG GLU A 56 77.680 31.181 -9.223 1.00 0.00 C ATOM 860 CD GLU A 56 77.388 30.549 -7.876 1.00 0.00 C ATOM 861 OE1 GLU A 56 78.309 29.941 -7.293 1.00 0.00 O ATOM 862 OE2 GLU A 56 76.236 30.662 -7.406 1.00 0.00 O ATOM 0 H GLU A 56 79.486 34.371 -7.893 1.00 0.00 H new ATOM 0 HA GLU A 56 79.838 31.631 -7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.809 33.171 -8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.429 32.991 -10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.745 31.321 -9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 56 78.292 30.500 -9.814 1.00 0.00 H new ATOM 869 N TYR A 57 80.823 32.826 -10.712 1.00 0.00 N ATOM 870 CA TYR A 57 81.698 32.561 -11.847 1.00 0.00 C ATOM 871 C TYR A 57 83.162 32.553 -11.417 1.00 0.00 C ATOM 872 O TYR A 57 84.002 31.909 -12.046 1.00 0.00 O ATOM 873 CB TYR A 57 81.482 33.611 -12.939 1.00 0.00 C ATOM 874 CG TYR A 57 80.117 33.542 -13.584 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.867 32.669 -14.637 1.00 0.00 C ATOM 876 CD2 TYR A 57 79.076 34.349 -13.142 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.621 32.603 -15.229 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.827 34.289 -13.728 1.00 0.00 C ATOM 879 CZ TYR A 57 77.604 33.414 -14.771 1.00 0.00 C ATOM 880 OH TYR A 57 76.361 33.352 -15.359 1.00 0.00 O ATOM 0 H TYR A 57 80.265 33.676 -10.799 1.00 0.00 H new ATOM 0 HA TYR A 57 81.449 31.576 -12.243 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.622 34.603 -12.510 1.00 0.00 H new ATOM 0 HB3 TYR A 57 82.245 33.486 -13.708 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.661 32.032 -14.998 1.00 0.00 H new ATOM 0 HD2 TYR A 57 79.247 35.035 -12.326 1.00 0.00 H new ATOM 0 HE1 TYR A 57 78.444 31.920 -16.046 1.00 0.00 H new ATOM 0 HE2 TYR A 57 77.029 34.924 -13.372 1.00 0.00 H new ATOM 0 HH TYR A 57 75.674 33.574 -14.696 1.00 0.00 H new ATOM 890 N SER A 58 83.459 33.272 -10.339 1.00 0.00 N ATOM 891 CA SER A 58 84.821 33.350 -9.825 1.00 0.00 C ATOM 892 C SER A 58 85.750 34.004 -10.844 1.00 0.00 C ATOM 893 O SER A 58 86.720 33.396 -11.298 1.00 0.00 O ATOM 894 CB SER A 58 85.337 31.954 -9.471 1.00 0.00 C ATOM 895 OG SER A 58 84.313 31.165 -8.889 1.00 0.00 O ATOM 0 H SER A 58 82.775 33.808 -9.805 1.00 0.00 H new ATOM 0 HA SER A 58 84.808 33.964 -8.924 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.713 31.463 -10.369 1.00 0.00 H new ATOM 0 HB3 SER A 58 86.175 32.037 -8.779 1.00 0.00 H new ATOM 0 HG SER A 58 83.708 31.741 -8.376 1.00 0.00 H new ATOM 901 N LEU A 59 85.446 35.248 -11.199 1.00 0.00 N ATOM 902 CA LEU A 59 86.252 35.987 -12.164 1.00 0.00 C ATOM 903 C LEU A 59 87.511 36.545 -11.508 1.00 0.00 C ATOM 904 O LEU A 59 87.829 36.210 -10.368 1.00 0.00 O ATOM 905 CB LEU A 59 85.435 37.125 -12.776 1.00 0.00 C ATOM 906 CG LEU A 59 83.989 36.790 -13.146 1.00 0.00 C ATOM 907 CD1 LEU A 59 83.291 38.009 -13.728 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.946 35.629 -14.130 1.00 0.00 C ATOM 0 H LEU A 59 84.647 35.766 -10.833 1.00 0.00 H new ATOM 0 HA LEU A 59 86.551 35.298 -12.954 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.425 37.958 -12.073 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.948 37.472 -13.673 1.00 0.00 H new ATOM 0 HG LEU A 59 83.462 36.493 -12.240 1.00 0.00 H new ATOM 0 HD11 LEU A 59 82.264 37.752 -13.985 1.00 0.00 H new ATOM 0 HD12 LEU A 59 83.290 38.814 -12.993 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.818 38.337 -14.624 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.910 35.404 -14.382 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.490 35.899 -15.035 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.408 34.751 -13.678 1.00 0.00 H new ATOM 920 N MET A 60 88.222 37.400 -12.236 1.00 0.00 N ATOM 921 CA MET A 60 89.445 38.007 -11.723 1.00 0.00 C ATOM 922 C MET A 60 89.767 39.296 -12.473 1.00 0.00 C ATOM 923 O MET A 60 89.706 39.342 -13.701 1.00 0.00 O ATOM 924 CB MET A 60 90.615 37.029 -11.842 1.00 0.00 C ATOM 925 CG MET A 60 90.910 36.605 -13.272 1.00 0.00 C ATOM 926 SD MET A 60 91.832 35.058 -13.361 1.00 0.00 S ATOM 927 CE MET A 60 90.599 33.969 -14.069 1.00 0.00 C ATOM 0 H MET A 60 87.973 37.688 -13.182 1.00 0.00 H new ATOM 0 HA MET A 60 89.288 38.248 -10.672 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.507 37.489 -11.417 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.399 36.142 -11.246 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.972 36.496 -13.816 1.00 0.00 H new ATOM 0 HG3 MET A 60 91.478 37.391 -13.770 1.00 0.00 H new ATOM 0 HE1 MET A 60 91.020 32.970 -14.186 1.00 0.00 H new ATOM 0 HE2 MET A 60 89.733 33.923 -13.409 1.00 0.00 H new ATOM 0 HE3 MET A 60 90.293 34.350 -15.043 1.00 0.00 H new ATOM 937 N GLU A 61 90.109 40.341 -11.725 1.00 0.00 N ATOM 938 CA GLU A 61 90.439 41.630 -12.320 1.00 0.00 C ATOM 939 C GLU A 61 89.247 42.197 -13.085 1.00 0.00 C ATOM 940 O GLU A 61 89.084 41.942 -14.279 1.00 0.00 O ATOM 941 CB GLU A 61 91.641 41.492 -13.256 1.00 0.00 C ATOM 942 CG GLU A 61 92.835 40.805 -12.615 1.00 0.00 C ATOM 943 CD GLU A 61 93.994 40.632 -13.578 1.00 0.00 C ATOM 944 OE1 GLU A 61 93.743 40.316 -14.760 1.00 0.00 O ATOM 945 OE2 GLU A 61 95.153 40.812 -13.149 1.00 0.00 O ATOM 0 H GLU A 61 90.165 40.320 -10.707 1.00 0.00 H new ATOM 0 HA GLU A 61 90.693 42.319 -11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 61 91.340 40.930 -14.140 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.942 42.483 -13.596 1.00 0.00 H new ATOM 0 HG2 GLU A 61 93.166 41.387 -11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.530 39.828 -12.240 1.00 0.00 H new ATOM 952 N ILE A 62 88.416 42.967 -12.390 1.00 0.00 N ATOM 953 CA ILE A 62 87.240 43.570 -13.004 1.00 0.00 C ATOM 954 C ILE A 62 86.959 44.949 -12.416 1.00 0.00 C ATOM 955 O ILE A 62 87.052 45.150 -11.205 1.00 0.00 O ATOM 956 CB ILE A 62 85.993 42.684 -12.822 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.834 43.218 -13.666 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.600 42.617 -11.354 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.789 42.173 -13.988 1.00 0.00 C ATOM 0 H ILE A 62 88.536 43.188 -11.401 1.00 0.00 H new ATOM 0 HA ILE A 62 87.455 43.668 -14.068 1.00 0.00 H new ATOM 0 HB ILE A 62 86.230 41.675 -13.160 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.359 44.043 -13.136 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.230 43.623 -14.597 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.717 41.987 -11.242 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.422 42.195 -10.776 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.378 43.620 -10.991 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.998 42.622 -14.588 1.00 0.00 H new ATOM 0 HD12 ILE A 62 84.250 41.358 -14.546 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.365 41.785 -13.062 1.00 0.00 H new ATOM 971 N ASP A 63 86.614 45.896 -13.282 1.00 0.00 N ATOM 972 CA ASP A 63 86.317 47.256 -12.849 1.00 0.00 C ATOM 973 C ASP A 63 85.025 47.298 -12.038 1.00 0.00 C ATOM 974 O ASP A 63 84.016 46.709 -12.426 1.00 0.00 O ATOM 975 CB ASP A 63 86.204 48.186 -14.058 1.00 0.00 C ATOM 976 CG ASP A 63 87.063 49.427 -13.916 1.00 0.00 C ATOM 977 OD1 ASP A 63 86.625 50.376 -13.233 1.00 0.00 O ATOM 978 OD2 ASP A 63 88.173 49.450 -14.488 1.00 0.00 O ATOM 0 H ASP A 63 86.533 45.746 -14.288 1.00 0.00 H new ATOM 0 HA ASP A 63 87.135 47.595 -12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 63 86.498 47.645 -14.958 1.00 0.00 H new ATOM 0 HB3 ASP A 63 85.163 48.481 -14.190 1.00 0.00 H new ATOM 983 N THR A 64 85.065 47.997 -10.908 1.00 0.00 N ATOM 984 CA THR A 64 83.899 48.114 -10.040 1.00 0.00 C ATOM 985 C THR A 64 83.443 49.564 -9.925 1.00 0.00 C ATOM 986 O THR A 64 82.263 49.838 -9.704 1.00 0.00 O ATOM 987 CB THR A 64 84.191 47.566 -8.631 1.00 0.00 C ATOM 988 OG1 THR A 64 85.594 47.643 -8.356 1.00 0.00 O ATOM 989 CG2 THR A 64 83.723 46.124 -8.503 1.00 0.00 C ATOM 0 H THR A 64 85.892 48.491 -10.572 1.00 0.00 H new ATOM 0 HA THR A 64 83.105 47.521 -10.495 1.00 0.00 H new ATOM 0 HB THR A 64 83.646 48.174 -7.909 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.771 47.294 -7.457 1.00 0.00 H new ATOM 0 HG21 THR A 64 83.940 45.759 -7.499 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.649 46.073 -8.684 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.244 45.506 -9.234 1.00 0.00 H new ATOM 997 N SER A 65 84.385 50.490 -10.076 1.00 0.00 N ATOM 998 CA SER A 65 84.079 51.913 -9.986 1.00 0.00 C ATOM 999 C SER A 65 82.962 52.291 -10.954 1.00 0.00 C ATOM 1000 O SER A 65 82.168 53.192 -10.682 1.00 0.00 O ATOM 1001 CB SER A 65 85.329 52.744 -10.281 1.00 0.00 C ATOM 1002 OG SER A 65 85.606 53.642 -9.221 1.00 0.00 O ATOM 0 H SER A 65 85.366 50.280 -10.261 1.00 0.00 H new ATOM 0 HA SER A 65 83.742 52.124 -8.971 1.00 0.00 H new ATOM 0 HB2 SER A 65 86.182 52.082 -10.433 1.00 0.00 H new ATOM 0 HB3 SER A 65 85.189 53.302 -11.207 1.00 0.00 H new ATOM 0 HG SER A 65 86.410 54.160 -9.433 1.00 0.00 H new ATOM 1008 N PHE A 66 82.909 51.597 -12.086 1.00 0.00 N ATOM 1009 CA PHE A 66 81.891 51.859 -13.096 1.00 0.00 C ATOM 1010 C PHE A 66 80.524 51.366 -12.632 1.00 0.00 C ATOM 1011 O PHE A 66 79.491 51.929 -12.998 1.00 0.00 O ATOM 1012 CB PHE A 66 82.267 51.185 -14.417 1.00 0.00 C ATOM 1013 CG PHE A 66 82.210 52.110 -15.600 1.00 0.00 C ATOM 1014 CD1 PHE A 66 82.966 53.271 -15.625 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.402 51.817 -16.686 1.00 0.00 C ATOM 1016 CE1 PHE A 66 82.914 54.124 -16.712 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.347 52.666 -17.776 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.105 53.820 -17.789 1.00 0.00 C ATOM 0 H PHE A 66 83.559 50.849 -12.327 1.00 0.00 H new ATOM 0 HA PHE A 66 81.836 52.937 -13.249 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.274 50.777 -14.333 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.595 50.344 -14.591 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.603 53.512 -14.787 1.00 0.00 H new ATOM 0 HD2 PHE A 66 80.808 50.915 -16.681 1.00 0.00 H new ATOM 0 HE1 PHE A 66 83.506 55.027 -16.719 1.00 0.00 H new ATOM 0 HE2 PHE A 66 80.712 52.427 -18.616 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.065 54.484 -18.640 1.00 0.00 H new ATOM 1028 N PHE A 67 80.525 50.310 -11.825 1.00 0.00 N ATOM 1029 CA PHE A 67 79.285 49.739 -11.312 1.00 0.00 C ATOM 1030 C PHE A 67 79.034 50.187 -9.875 1.00 0.00 C ATOM 1031 O PHE A 67 78.364 49.497 -9.107 1.00 0.00 O ATOM 1032 CB PHE A 67 79.336 48.211 -11.380 1.00 0.00 C ATOM 1033 CG PHE A 67 79.761 47.685 -12.721 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.903 47.744 -13.807 1.00 0.00 C ATOM 1035 CD2 PHE A 67 81.019 47.130 -12.895 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.292 47.261 -15.042 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.413 46.646 -14.128 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.548 46.710 -15.203 1.00 0.00 C ATOM 0 H PHE A 67 81.370 49.833 -11.512 1.00 0.00 H new ATOM 0 HA PHE A 67 78.465 50.096 -11.934 1.00 0.00 H new ATOM 0 HB2 PHE A 67 80.025 47.844 -10.620 1.00 0.00 H new ATOM 0 HB3 PHE A 67 78.351 47.811 -11.137 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.919 48.172 -13.687 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.699 47.075 -12.058 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.614 47.314 -15.881 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.397 46.218 -14.251 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.853 46.330 -16.167 1.00 0.00 H new ATOM 1048 N GLN A 68 79.577 51.347 -9.520 1.00 0.00 N ATOM 1049 CA GLN A 68 79.413 51.887 -8.175 1.00 0.00 C ATOM 1050 C GLN A 68 78.044 52.541 -8.014 1.00 0.00 C ATOM 1051 O GLN A 68 77.455 52.511 -6.935 1.00 0.00 O ATOM 1052 CB GLN A 68 80.515 52.904 -7.873 1.00 0.00 C ATOM 1053 CG GLN A 68 80.360 54.213 -8.629 1.00 0.00 C ATOM 1054 CD GLN A 68 79.536 55.232 -7.867 1.00 0.00 C ATOM 1055 OE1 GLN A 68 79.096 54.979 -6.745 1.00 0.00 O ATOM 1056 NE2 GLN A 68 79.322 56.394 -8.474 1.00 0.00 N ATOM 0 H GLN A 68 80.134 51.931 -10.144 1.00 0.00 H new ATOM 0 HA GLN A 68 79.487 51.061 -7.468 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.523 53.111 -6.803 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.481 52.464 -8.120 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.346 54.629 -8.834 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.890 54.018 -9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 68 79.705 56.562 -9.404 1.00 0.00 H new ATOM 0 HE22 GLN A 68 78.774 57.119 -8.010 1.00 0.00 H new ATOM 1065 N ASN A 69 77.545 53.131 -9.095 1.00 0.00 N ATOM 1066 CA ASN A 69 76.246 53.793 -9.073 1.00 0.00 C ATOM 1067 C ASN A 69 75.702 53.970 -10.487 1.00 0.00 C ATOM 1068 O ASN A 69 75.202 55.038 -10.842 1.00 0.00 O ATOM 1069 CB ASN A 69 76.355 55.154 -8.382 1.00 0.00 C ATOM 1070 CG ASN A 69 74.998 55.769 -8.100 1.00 0.00 C ATOM 1071 OD1 ASN A 69 74.675 56.845 -8.604 1.00 0.00 O ATOM 1072 ND2 ASN A 69 74.197 55.088 -7.290 1.00 0.00 N ATOM 0 H ASN A 69 78.020 53.164 -9.997 1.00 0.00 H new ATOM 0 HA ASN A 69 75.555 53.163 -8.513 1.00 0.00 H new ATOM 0 HB2 ASN A 69 76.901 55.040 -7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.935 55.831 -9.009 1.00 0.00 H new ATOM 0 HD21 ASN A 69 73.272 55.453 -7.063 1.00 0.00 H new ATOM 0 HD22 ASN A 69 74.506 54.200 -6.895 1.00 0.00 H new ATOM 1079 N MET A 70 75.802 52.916 -11.290 1.00 0.00 N ATOM 1080 CA MET A 70 75.318 52.955 -12.666 1.00 0.00 C ATOM 1081 C MET A 70 73.865 52.497 -12.743 1.00 0.00 C ATOM 1082 O MET A 70 73.491 51.482 -12.155 1.00 0.00 O ATOM 1083 CB MET A 70 76.191 52.074 -13.561 1.00 0.00 C ATOM 1084 CG MET A 70 75.843 52.174 -15.037 1.00 0.00 C ATOM 1085 SD MET A 70 77.301 52.344 -16.084 1.00 0.00 S ATOM 1086 CE MET A 70 77.783 50.630 -16.275 1.00 0.00 C ATOM 0 H MET A 70 76.213 52.025 -11.012 1.00 0.00 H new ATOM 0 HA MET A 70 75.375 53.985 -13.017 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.236 52.352 -13.423 1.00 0.00 H new ATOM 0 HB3 MET A 70 76.093 51.036 -13.242 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.287 51.285 -15.336 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.186 53.029 -15.194 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.868 50.547 -16.208 1.00 0.00 H new ATOM 0 HE2 MET A 70 77.324 50.033 -15.487 1.00 0.00 H new ATOM 0 HE3 MET A 70 77.451 50.265 -17.247 1.00 0.00 H new ATOM 1096 N ASP A 71 73.050 53.251 -13.472 1.00 0.00 N ATOM 1097 CA ASP A 71 71.637 52.922 -13.627 1.00 0.00 C ATOM 1098 C ASP A 71 71.465 51.615 -14.394 1.00 0.00 C ATOM 1099 O ASP A 71 72.158 51.365 -15.380 1.00 0.00 O ATOM 1100 CB ASP A 71 70.905 54.053 -14.351 1.00 0.00 C ATOM 1101 CG ASP A 71 71.677 54.569 -15.549 1.00 0.00 C ATOM 1102 OD1 ASP A 71 72.688 55.274 -15.345 1.00 0.00 O ATOM 1103 OD2 ASP A 71 71.272 54.268 -16.691 1.00 0.00 O ATOM 0 H ASP A 71 73.343 54.094 -13.965 1.00 0.00 H new ATOM 0 HA ASP A 71 71.206 52.799 -12.633 1.00 0.00 H new ATOM 0 HB2 ASP A 71 69.927 53.698 -14.678 1.00 0.00 H new ATOM 0 HB3 ASP A 71 70.730 54.873 -13.655 1.00 0.00 H new ATOM 1108 N GLY A 72 70.536 50.782 -13.934 1.00 0.00 N ATOM 1109 CA GLY A 72 70.291 49.510 -14.588 1.00 0.00 C ATOM 1110 C GLY A 72 70.005 49.665 -16.068 1.00 0.00 C ATOM 1111 O GLY A 72 70.283 48.763 -16.860 1.00 0.00 O ATOM 0 H GLY A 72 69.949 50.966 -13.120 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.158 48.863 -14.454 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.447 49.015 -14.108 1.00 0.00 H new ATOM 1115 N LYS A 73 69.447 50.810 -16.445 1.00 0.00 N ATOM 1116 CA LYS A 73 69.123 51.081 -17.841 1.00 0.00 C ATOM 1117 C LYS A 73 70.388 51.149 -18.690 1.00 0.00 C ATOM 1118 O LYS A 73 70.425 50.634 -19.807 1.00 0.00 O ATOM 1119 CB LYS A 73 68.345 52.393 -17.959 1.00 0.00 C ATOM 1120 CG LYS A 73 66.881 52.202 -18.319 1.00 0.00 C ATOM 1121 CD LYS A 73 66.548 52.840 -19.657 1.00 0.00 C ATOM 1122 CE LYS A 73 65.061 53.136 -19.779 1.00 0.00 C ATOM 1123 NZ LYS A 73 64.772 54.590 -19.640 1.00 0.00 N ATOM 0 H LYS A 73 69.209 51.566 -15.803 1.00 0.00 H new ATOM 0 HA LYS A 73 68.503 50.264 -18.210 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.411 52.931 -17.013 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.818 53.019 -18.716 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.650 51.137 -18.355 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.254 52.638 -17.541 1.00 0.00 H new ATOM 0 HD2 LYS A 73 67.115 53.764 -19.772 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.855 52.176 -20.465 1.00 0.00 H new ATOM 0 HE2 LYS A 73 64.699 52.784 -20.745 1.00 0.00 H new ATOM 0 HE3 LYS A 73 64.517 52.583 -19.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 63.748 54.751 -19.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 65.095 54.921 -18.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 65.271 55.116 -20.386 1.00 0.00 H new ATOM 1137 N GLU A 74 71.423 51.788 -18.152 1.00 0.00 N ATOM 1138 CA GLU A 74 72.690 51.922 -18.862 1.00 0.00 C ATOM 1139 C GLU A 74 73.340 50.558 -19.077 1.00 0.00 C ATOM 1140 O GLU A 74 73.954 50.307 -20.115 1.00 0.00 O ATOM 1141 CB GLU A 74 73.640 52.836 -18.086 1.00 0.00 C ATOM 1142 CG GLU A 74 73.891 54.171 -18.766 1.00 0.00 C ATOM 1143 CD GLU A 74 74.912 54.075 -19.883 1.00 0.00 C ATOM 1144 OE1 GLU A 74 75.995 53.500 -19.647 1.00 0.00 O ATOM 1145 OE2 GLU A 74 74.628 54.574 -20.991 1.00 0.00 O ATOM 0 H GLU A 74 71.409 52.220 -17.228 1.00 0.00 H new ATOM 0 HA GLU A 74 72.486 52.365 -19.837 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.228 53.015 -17.093 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.592 52.323 -17.948 1.00 0.00 H new ATOM 0 HG2 GLU A 74 72.952 54.551 -19.169 1.00 0.00 H new ATOM 0 HG3 GLU A 74 74.235 54.893 -18.025 1.00 0.00 H new ATOM 1152 N LEU A 75 73.202 49.681 -18.088 1.00 0.00 N ATOM 1153 CA LEU A 75 73.776 48.343 -18.167 1.00 0.00 C ATOM 1154 C LEU A 75 73.357 47.646 -19.458 1.00 0.00 C ATOM 1155 O LEU A 75 74.121 46.869 -20.032 1.00 0.00 O ATOM 1156 CB LEU A 75 73.344 47.509 -16.960 1.00 0.00 C ATOM 1157 CG LEU A 75 74.384 47.342 -15.852 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.802 48.698 -15.304 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.841 46.459 -14.738 1.00 0.00 C ATOM 0 H LEU A 75 72.698 49.873 -17.222 1.00 0.00 H new ATOM 0 HA LEU A 75 74.862 48.439 -18.164 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.453 47.965 -16.529 1.00 0.00 H new ATOM 0 HB3 LEU A 75 73.056 46.519 -17.312 1.00 0.00 H new ATOM 0 HG LEU A 75 75.263 46.857 -16.276 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.543 48.560 -14.516 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.233 49.297 -16.106 1.00 0.00 H new ATOM 0 HD13 LEU A 75 73.930 49.210 -14.896 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.595 46.352 -13.958 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.945 46.915 -14.316 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.593 45.477 -15.140 1.00 0.00 H new ATOM 1171 N CYS A 76 72.140 47.930 -19.909 1.00 0.00 N ATOM 1172 CA CYS A 76 71.620 47.331 -21.133 1.00 0.00 C ATOM 1173 C CYS A 76 72.226 47.996 -22.364 1.00 0.00 C ATOM 1174 O CYS A 76 72.572 47.327 -23.338 1.00 0.00 O ATOM 1175 CB CYS A 76 70.095 47.448 -21.174 1.00 0.00 C ATOM 1176 SG CYS A 76 69.257 46.667 -19.775 1.00 0.00 S ATOM 0 H CYS A 76 71.496 48.571 -19.446 1.00 0.00 H new ATOM 0 HA CYS A 76 71.897 46.277 -21.139 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.823 48.503 -21.204 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.732 46.999 -22.098 1.00 0.00 H new ATOM 0 HG CYS A 76 67.977 46.633 -20.000 1.00 0.00 H new ATOM 1182 N LYS A 77 72.351 49.318 -22.315 1.00 0.00 N ATOM 1183 CA LYS A 77 72.915 50.076 -23.426 1.00 0.00 C ATOM 1184 C LYS A 77 74.335 49.613 -23.734 1.00 0.00 C ATOM 1185 O LYS A 77 74.792 49.700 -24.874 1.00 0.00 O ATOM 1186 CB LYS A 77 72.913 51.572 -23.102 1.00 0.00 C ATOM 1187 CG LYS A 77 71.524 52.183 -23.059 1.00 0.00 C ATOM 1188 CD LYS A 77 71.500 53.455 -22.228 1.00 0.00 C ATOM 1189 CE LYS A 77 70.462 54.439 -22.745 1.00 0.00 C ATOM 1190 NZ LYS A 77 69.690 55.065 -21.636 1.00 0.00 N ATOM 0 H LYS A 77 72.069 49.887 -21.517 1.00 0.00 H new ATOM 0 HA LYS A 77 72.296 49.900 -24.306 1.00 0.00 H new ATOM 0 HB2 LYS A 77 73.399 51.727 -22.139 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.509 52.098 -23.848 1.00 0.00 H new ATOM 0 HG2 LYS A 77 71.191 52.404 -24.073 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.821 51.462 -22.642 1.00 0.00 H new ATOM 0 HD2 LYS A 77 71.283 53.208 -21.189 1.00 0.00 H new ATOM 0 HD3 LYS A 77 72.485 53.921 -22.246 1.00 0.00 H new ATOM 0 HE2 LYS A 77 70.957 55.217 -23.327 1.00 0.00 H new ATOM 0 HE3 LYS A 77 69.777 53.924 -23.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 68.993 55.729 -22.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 69.197 54.326 -21.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 70.340 55.578 -21.007 1.00 0.00 H new ATOM 1204 N MET A 78 75.027 49.120 -22.712 1.00 0.00 N ATOM 1205 CA MET A 78 76.395 48.641 -22.876 1.00 0.00 C ATOM 1206 C MET A 78 76.425 47.351 -23.689 1.00 0.00 C ATOM 1207 O MET A 78 75.669 46.418 -23.418 1.00 0.00 O ATOM 1208 CB MET A 78 77.045 48.413 -21.510 1.00 0.00 C ATOM 1209 CG MET A 78 77.046 49.648 -20.624 1.00 0.00 C ATOM 1210 SD MET A 78 78.710 50.231 -20.247 1.00 0.00 S ATOM 1211 CE MET A 78 79.418 48.771 -19.489 1.00 0.00 C ATOM 0 H MET A 78 74.663 49.042 -21.762 1.00 0.00 H new ATOM 0 HA MET A 78 76.958 49.402 -23.415 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.519 47.608 -20.996 1.00 0.00 H new ATOM 0 HB3 MET A 78 78.073 48.080 -21.657 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.489 50.445 -21.117 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.524 49.423 -19.694 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.182 49.068 -18.770 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.636 48.211 -18.976 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.868 48.144 -20.258 1.00 0.00 H new ATOM 1221 N ASN A 79 77.303 47.304 -24.685 1.00 0.00 N ATOM 1222 CA ASN A 79 77.431 46.128 -25.538 1.00 0.00 C ATOM 1223 C ASN A 79 78.764 45.426 -25.300 1.00 0.00 C ATOM 1224 O ASN A 79 79.503 45.768 -24.377 1.00 0.00 O ATOM 1225 CB ASN A 79 77.305 46.524 -27.011 1.00 0.00 C ATOM 1226 CG ASN A 79 76.021 47.278 -27.299 1.00 0.00 C ATOM 1227 OD1 ASN A 79 74.946 46.685 -27.388 1.00 0.00 O ATOM 1228 ND2 ASN A 79 76.129 48.593 -27.447 1.00 0.00 N ATOM 0 H ASN A 79 77.937 48.067 -24.922 1.00 0.00 H new ATOM 0 HA ASN A 79 76.627 45.437 -25.285 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.157 47.143 -27.292 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.343 45.628 -27.630 1.00 0.00 H new ATOM 0 HD21 ASN A 79 75.300 49.154 -27.643 1.00 0.00 H new ATOM 0 HD22 ASN A 79 77.041 49.042 -27.365 1.00 0.00 H new ATOM 1235 N LYS A 80 79.066 44.442 -26.141 1.00 0.00 N ATOM 1236 CA LYS A 80 80.311 43.692 -26.025 1.00 0.00 C ATOM 1237 C LYS A 80 81.512 44.631 -26.002 1.00 0.00 C ATOM 1238 O LYS A 80 82.546 44.317 -25.412 1.00 0.00 O ATOM 1239 CB LYS A 80 80.445 42.704 -27.186 1.00 0.00 C ATOM 1240 CG LYS A 80 81.600 41.730 -27.027 1.00 0.00 C ATOM 1241 CD LYS A 80 81.112 40.348 -26.624 1.00 0.00 C ATOM 1242 CE LYS A 80 81.222 39.361 -27.776 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.062 39.461 -28.704 1.00 0.00 N ATOM 0 H LYS A 80 78.465 44.146 -26.910 1.00 0.00 H new ATOM 0 HA LYS A 80 80.287 43.139 -25.086 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.517 42.141 -27.282 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.576 43.262 -28.113 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.152 41.663 -27.964 1.00 0.00 H new ATOM 0 HG3 LYS A 80 82.293 42.106 -26.275 1.00 0.00 H new ATOM 0 HD2 LYS A 80 81.696 39.987 -25.777 1.00 0.00 H new ATOM 0 HD3 LYS A 80 80.075 40.409 -26.293 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.144 39.546 -28.326 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.285 38.347 -27.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.174 38.773 -29.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.184 39.259 -28.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 80.017 40.421 -29.101 1.00 0.00 H new ATOM 1257 N GLU A 81 81.368 45.785 -26.647 1.00 0.00 N ATOM 1258 CA GLU A 81 82.442 46.770 -26.698 1.00 0.00 C ATOM 1259 C GLU A 81 82.492 47.589 -25.412 1.00 0.00 C ATOM 1260 O GLU A 81 83.536 47.688 -24.766 1.00 0.00 O ATOM 1261 CB GLU A 81 82.255 47.698 -27.900 1.00 0.00 C ATOM 1262 CG GLU A 81 82.396 46.996 -29.240 1.00 0.00 C ATOM 1263 CD GLU A 81 83.239 47.781 -30.225 1.00 0.00 C ATOM 1264 OE1 GLU A 81 82.691 48.692 -30.881 1.00 0.00 O ATOM 1265 OE2 GLU A 81 84.447 47.485 -30.341 1.00 0.00 O ATOM 0 H GLU A 81 80.519 46.060 -27.141 1.00 0.00 H new ATOM 0 HA GLU A 81 83.386 46.235 -26.804 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.269 48.158 -27.843 1.00 0.00 H new ATOM 0 HB3 GLU A 81 82.987 48.504 -27.843 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.844 46.014 -29.086 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.406 46.831 -29.665 1.00 0.00 H new ATOM 1272 N ASP A 82 81.357 48.174 -25.046 1.00 0.00 N ATOM 1273 CA ASP A 82 81.270 48.984 -23.837 1.00 0.00 C ATOM 1274 C ASP A 82 81.703 48.183 -22.613 1.00 0.00 C ATOM 1275 O ASP A 82 82.286 48.728 -21.676 1.00 0.00 O ATOM 1276 CB ASP A 82 79.843 49.501 -23.645 1.00 0.00 C ATOM 1277 CG ASP A 82 79.302 50.182 -24.886 1.00 0.00 C ATOM 1278 OD1 ASP A 82 80.006 51.052 -25.439 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.174 49.845 -25.305 1.00 0.00 O ATOM 0 H ASP A 82 80.484 48.102 -25.569 1.00 0.00 H new ATOM 0 HA ASP A 82 81.944 49.833 -23.950 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.191 48.669 -23.377 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.823 50.203 -22.811 1.00 0.00 H new ATOM 1284 N PHE A 83 81.412 46.886 -22.628 1.00 0.00 N ATOM 1285 CA PHE A 83 81.769 46.009 -21.519 1.00 0.00 C ATOM 1286 C PHE A 83 83.239 45.606 -21.596 1.00 0.00 C ATOM 1287 O PHE A 83 83.876 45.339 -20.576 1.00 0.00 O ATOM 1288 CB PHE A 83 80.886 44.760 -21.523 1.00 0.00 C ATOM 1289 CG PHE A 83 79.629 44.912 -20.714 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.692 45.217 -19.364 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.386 44.750 -21.304 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.538 45.358 -18.616 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.229 44.890 -20.561 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.304 45.193 -19.216 1.00 0.00 C ATOM 0 H PHE A 83 80.930 46.419 -23.396 1.00 0.00 H new ATOM 0 HA PHE A 83 81.608 46.556 -20.590 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.619 44.516 -22.551 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.459 43.918 -21.134 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.654 45.346 -18.890 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.320 44.512 -22.355 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.601 45.597 -17.565 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.266 44.762 -21.033 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.400 45.301 -18.634 1.00 0.00 H new ATOM 1304 N LEU A 84 83.772 45.564 -22.812 1.00 0.00 N ATOM 1305 CA LEU A 84 85.167 45.194 -23.025 1.00 0.00 C ATOM 1306 C LEU A 84 86.104 46.190 -22.349 1.00 0.00 C ATOM 1307 O LEU A 84 87.226 45.847 -21.976 1.00 0.00 O ATOM 1308 CB LEU A 84 85.474 45.122 -24.521 1.00 0.00 C ATOM 1309 CG LEU A 84 85.400 43.732 -25.156 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.262 43.842 -26.666 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.628 42.912 -24.788 1.00 0.00 C ATOM 0 H LEU A 84 83.259 45.782 -23.666 1.00 0.00 H new ATOM 0 HA LEU A 84 85.328 44.212 -22.580 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.779 45.777 -25.046 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.475 45.522 -24.686 1.00 0.00 H new ATOM 0 HG LEU A 84 84.518 43.222 -24.768 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.211 42.844 -27.100 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.352 44.391 -26.909 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.124 44.371 -27.073 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.559 41.926 -25.248 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.524 43.418 -25.147 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.682 42.804 -23.705 1.00 0.00 H new ATOM 1323 N ARG A 85 85.635 47.423 -22.193 1.00 0.00 N ATOM 1324 CA ARG A 85 86.430 48.469 -21.561 1.00 0.00 C ATOM 1325 C ARG A 85 86.496 48.264 -20.050 1.00 0.00 C ATOM 1326 O ARG A 85 87.459 48.669 -19.401 1.00 0.00 O ATOM 1327 CB ARG A 85 85.843 49.846 -21.875 1.00 0.00 C ATOM 1328 CG ARG A 85 85.492 50.039 -23.341 1.00 0.00 C ATOM 1329 CD ARG A 85 86.038 51.353 -23.877 1.00 0.00 C ATOM 1330 NE ARG A 85 87.489 51.315 -24.042 1.00 0.00 N ATOM 1331 CZ ARG A 85 88.104 50.602 -24.979 1.00 0.00 C ATOM 1332 NH1 ARG A 85 87.397 49.870 -25.830 1.00 0.00 N ATOM 1333 NH2 ARG A 85 89.428 50.619 -25.066 1.00 0.00 N ATOM 0 H ARG A 85 84.708 47.723 -22.496 1.00 0.00 H new ATOM 0 HA ARG A 85 87.442 48.414 -21.962 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.947 49.995 -21.273 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.558 50.613 -21.577 1.00 0.00 H new ATOM 0 HG2 ARG A 85 85.895 49.211 -23.925 1.00 0.00 H new ATOM 0 HG3 ARG A 85 84.409 50.017 -23.463 1.00 0.00 H new ATOM 0 HD2 ARG A 85 85.570 51.576 -24.836 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.771 52.161 -23.196 1.00 0.00 H new ATOM 0 HE ARG A 85 88.061 51.866 -23.403 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.379 49.854 -25.766 1.00 0.00 H new ATOM 0 HH12 ARG A 85 87.871 49.323 -26.549 1.00 0.00 H new ATOM 0 HH21 ARG A 85 89.975 51.180 -24.413 1.00 0.00 H new ATOM 0 HH22 ARG A 85 89.899 50.071 -25.786 1.00 0.00 H new ATOM 1347 N ALA A 86 85.465 47.633 -19.499 1.00 0.00 N ATOM 1348 CA ALA A 86 85.406 47.374 -18.065 1.00 0.00 C ATOM 1349 C ALA A 86 86.077 46.049 -17.720 1.00 0.00 C ATOM 1350 O ALA A 86 86.820 45.953 -16.742 1.00 0.00 O ATOM 1351 CB ALA A 86 83.961 47.377 -17.587 1.00 0.00 C ATOM 0 H ALA A 86 84.659 47.292 -20.023 1.00 0.00 H new ATOM 0 HA ALA A 86 85.947 48.170 -17.554 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.932 47.182 -16.515 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.512 48.349 -17.792 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.403 46.602 -18.112 1.00 0.00 H new ATOM 1357 N THR A 87 85.810 45.027 -18.527 1.00 0.00 N ATOM 1358 CA THR A 87 86.386 43.707 -18.306 1.00 0.00 C ATOM 1359 C THR A 87 86.776 43.049 -19.624 1.00 0.00 C ATOM 1360 O THR A 87 86.470 43.561 -20.701 1.00 0.00 O ATOM 1361 CB THR A 87 85.407 42.785 -17.555 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.068 41.573 -17.175 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.199 42.460 -18.420 1.00 0.00 C ATOM 0 H THR A 87 85.198 45.089 -19.340 1.00 0.00 H new ATOM 0 HA THR A 87 87.278 43.850 -17.697 1.00 0.00 H new ATOM 0 HB THR A 87 85.065 43.307 -16.661 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.787 41.777 -16.541 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.522 41.808 -17.869 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.681 43.382 -18.683 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.527 41.957 -19.329 1.00 0.00 H new ATOM 1371 N THR A 88 87.454 41.909 -19.534 1.00 0.00 N ATOM 1372 CA THR A 88 87.887 41.180 -20.720 1.00 0.00 C ATOM 1373 C THR A 88 86.701 40.550 -21.441 1.00 0.00 C ATOM 1374 O THR A 88 85.599 40.471 -20.895 1.00 0.00 O ATOM 1375 CB THR A 88 88.901 40.077 -20.363 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.318 39.158 -19.432 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.165 40.678 -19.767 1.00 0.00 C ATOM 0 H THR A 88 87.715 41.470 -18.651 1.00 0.00 H new ATOM 0 HA THR A 88 88.367 41.904 -21.378 1.00 0.00 H new ATOM 0 HB THR A 88 89.166 39.547 -21.278 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.968 38.459 -19.212 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.867 39.881 -19.523 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.622 41.355 -20.489 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.913 41.230 -18.861 1.00 0.00 H new ATOM 1385 N LEU A 89 86.932 40.101 -22.670 1.00 0.00 N ATOM 1386 CA LEU A 89 85.881 39.476 -23.466 1.00 0.00 C ATOM 1387 C LEU A 89 85.345 38.227 -22.776 1.00 0.00 C ATOM 1388 O LEU A 89 84.139 37.978 -22.768 1.00 0.00 O ATOM 1389 CB LEU A 89 86.412 39.118 -24.855 1.00 0.00 C ATOM 1390 CG LEU A 89 85.383 39.111 -25.986 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.260 38.133 -25.680 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.829 40.510 -26.211 1.00 0.00 C ATOM 0 H LEU A 89 87.837 40.158 -23.137 1.00 0.00 H new ATOM 0 HA LEU A 89 85.064 40.190 -23.569 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.201 39.824 -25.113 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.872 38.131 -24.803 1.00 0.00 H new ATOM 0 HG LEU A 89 85.879 38.787 -26.901 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.537 38.142 -26.496 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.671 37.130 -25.570 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.765 38.425 -24.754 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.098 40.486 -27.019 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.349 40.862 -25.298 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.642 41.185 -26.477 1.00 0.00 H new ATOM 1404 N TYR A 90 86.248 37.445 -22.194 1.00 0.00 N ATOM 1405 CA TYR A 90 85.866 36.220 -21.501 1.00 0.00 C ATOM 1406 C TYR A 90 84.818 36.505 -20.430 1.00 0.00 C ATOM 1407 O TYR A 90 83.984 35.656 -20.120 1.00 0.00 O ATOM 1408 CB TYR A 90 87.094 35.564 -20.867 1.00 0.00 C ATOM 1409 CG TYR A 90 86.778 34.296 -20.107 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.385 34.340 -18.775 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.872 33.053 -20.721 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.096 33.184 -18.076 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.584 31.891 -20.030 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.196 31.962 -18.708 1.00 0.00 C ATOM 1415 OH TYR A 90 85.909 30.808 -18.017 1.00 0.00 O ATOM 0 H TYR A 90 87.250 37.638 -22.188 1.00 0.00 H new ATOM 0 HA TYR A 90 85.435 35.537 -22.233 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.819 35.338 -21.649 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.567 36.275 -20.190 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.304 35.295 -18.277 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.175 32.994 -21.756 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.793 33.237 -17.041 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.662 30.933 -20.522 1.00 0.00 H new ATOM 0 HH TYR A 90 86.028 30.035 -18.608 1.00 0.00 H new ATOM 1425 N ASN A 91 84.868 37.709 -19.867 1.00 0.00 N ATOM 1426 CA ASN A 91 83.924 38.108 -18.830 1.00 0.00 C ATOM 1427 C ASN A 91 82.725 38.832 -19.436 1.00 0.00 C ATOM 1428 O ASN A 91 81.592 38.668 -18.983 1.00 0.00 O ATOM 1429 CB ASN A 91 84.613 39.008 -17.803 1.00 0.00 C ATOM 1430 CG ASN A 91 85.458 38.221 -16.819 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.338 37.000 -16.719 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.318 38.920 -16.088 1.00 0.00 N ATOM 0 H ASN A 91 85.552 38.425 -20.112 1.00 0.00 H new ATOM 0 HA ASN A 91 83.567 37.207 -18.331 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.243 39.731 -18.322 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.859 39.576 -17.258 1.00 0.00 H new ATOM 0 HD21 ASN A 91 86.914 38.446 -15.409 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.383 39.931 -16.205 1.00 0.00 H new ATOM 1439 N THR A 92 82.984 39.636 -20.463 1.00 0.00 N ATOM 1440 CA THR A 92 81.928 40.386 -21.131 1.00 0.00 C ATOM 1441 C THR A 92 80.787 39.469 -21.559 1.00 0.00 C ATOM 1442 O THR A 92 79.615 39.813 -21.413 1.00 0.00 O ATOM 1443 CB THR A 92 82.464 41.131 -22.367 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.504 42.036 -21.981 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.349 41.899 -23.062 1.00 0.00 C ATOM 0 H THR A 92 83.916 39.784 -20.850 1.00 0.00 H new ATOM 0 HA THR A 92 81.554 41.114 -20.411 1.00 0.00 H new ATOM 0 HB THR A 92 82.864 40.394 -23.063 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.264 41.529 -21.626 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.752 42.417 -23.932 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.572 41.204 -23.381 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.923 42.627 -22.371 1.00 0.00 H new ATOM 1453 N GLU A 93 81.140 38.301 -22.087 1.00 0.00 N ATOM 1454 CA GLU A 93 80.144 37.335 -22.536 1.00 0.00 C ATOM 1455 C GLU A 93 79.365 36.768 -21.353 1.00 0.00 C ATOM 1456 O GLU A 93 78.202 36.386 -21.487 1.00 0.00 O ATOM 1457 CB GLU A 93 80.816 36.200 -23.311 1.00 0.00 C ATOM 1458 CG GLU A 93 81.404 36.636 -24.642 1.00 0.00 C ATOM 1459 CD GLU A 93 80.869 35.828 -25.809 1.00 0.00 C ATOM 1460 OE1 GLU A 93 81.424 34.743 -26.082 1.00 0.00 O ATOM 1461 OE2 GLU A 93 79.897 36.281 -26.449 1.00 0.00 O ATOM 0 H GLU A 93 82.107 38.001 -22.214 1.00 0.00 H new ATOM 0 HA GLU A 93 79.445 37.850 -23.195 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.608 35.771 -22.697 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.086 35.410 -23.487 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.184 37.691 -24.804 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.489 36.539 -24.605 1.00 0.00 H new ATOM 1468 N VAL A 94 80.015 36.714 -20.195 1.00 0.00 N ATOM 1469 CA VAL A 94 79.384 36.193 -18.988 1.00 0.00 C ATOM 1470 C VAL A 94 78.376 37.187 -18.422 1.00 0.00 C ATOM 1471 O VAL A 94 77.415 36.802 -17.755 1.00 0.00 O ATOM 1472 CB VAL A 94 80.429 35.866 -17.905 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.751 35.334 -16.652 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.449 34.869 -18.433 1.00 0.00 C ATOM 0 H VAL A 94 80.978 37.025 -20.067 1.00 0.00 H new ATOM 0 HA VAL A 94 78.866 35.277 -19.272 1.00 0.00 H new ATOM 0 HB VAL A 94 80.954 36.784 -17.643 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.505 35.108 -15.898 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.063 36.085 -16.264 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.198 34.427 -16.895 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.180 34.649 -17.655 1.00 0.00 H new ATOM 0 HG22 VAL A 94 80.942 33.949 -18.724 1.00 0.00 H new ATOM 0 HG23 VAL A 94 81.958 35.293 -19.299 1.00 0.00 H new ATOM 1484 N LEU A 95 78.601 38.468 -18.693 1.00 0.00 N ATOM 1485 CA LEU A 95 77.712 39.520 -18.212 1.00 0.00 C ATOM 1486 C LEU A 95 76.544 39.727 -19.171 1.00 0.00 C ATOM 1487 O LEU A 95 75.380 39.653 -18.775 1.00 0.00 O ATOM 1488 CB LEU A 95 78.484 40.829 -18.039 1.00 0.00 C ATOM 1489 CG LEU A 95 79.682 40.782 -17.090 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.571 41.998 -17.292 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.213 40.696 -15.645 1.00 0.00 C ATOM 0 H LEU A 95 79.392 38.803 -19.243 1.00 0.00 H new ATOM 0 HA LEU A 95 77.314 39.211 -17.246 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.835 41.153 -19.019 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.792 41.591 -17.681 1.00 0.00 H new ATOM 0 HG LEU A 95 80.266 39.890 -17.316 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.418 41.947 -16.608 1.00 0.00 H new ATOM 0 HD12 LEU A 95 80.935 42.016 -18.319 1.00 0.00 H new ATOM 0 HD13 LEU A 95 79.999 42.904 -17.094 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.078 40.663 -14.983 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.607 41.570 -15.407 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.618 39.793 -15.509 1.00 0.00 H new ATOM 1503 N LEU A 96 76.862 39.986 -20.435 1.00 0.00 N ATOM 1504 CA LEU A 96 75.840 40.202 -21.452 1.00 0.00 C ATOM 1505 C LEU A 96 74.861 39.033 -21.498 1.00 0.00 C ATOM 1506 O LEU A 96 73.648 39.223 -21.416 1.00 0.00 O ATOM 1507 CB LEU A 96 76.490 40.391 -22.824 1.00 0.00 C ATOM 1508 CG LEU A 96 76.316 41.768 -23.465 1.00 0.00 C ATOM 1509 CD1 LEU A 96 77.383 42.002 -24.524 1.00 0.00 C ATOM 1510 CD2 LEU A 96 74.926 41.905 -24.067 1.00 0.00 C ATOM 0 H LEU A 96 77.820 40.051 -20.779 1.00 0.00 H new ATOM 0 HA LEU A 96 75.288 41.104 -21.190 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.557 40.189 -22.729 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.083 39.642 -23.503 1.00 0.00 H new ATOM 0 HG LEU A 96 76.430 42.525 -22.689 1.00 0.00 H new ATOM 0 HD11 LEU A 96 77.244 42.987 -24.970 1.00 0.00 H new ATOM 0 HD12 LEU A 96 78.370 41.948 -24.064 1.00 0.00 H new ATOM 0 HD13 LEU A 96 77.301 41.239 -25.298 1.00 0.00 H new ATOM 0 HD21 LEU A 96 74.821 42.891 -24.519 1.00 0.00 H new ATOM 0 HD22 LEU A 96 74.783 41.140 -24.830 1.00 0.00 H new ATOM 0 HD23 LEU A 96 74.177 41.782 -23.285 1.00 0.00 H new ATOM 1522 N SER A 97 75.397 37.823 -21.626 1.00 0.00 N ATOM 1523 CA SER A 97 74.571 36.623 -21.683 1.00 0.00 C ATOM 1524 C SER A 97 73.655 36.535 -20.465 1.00 0.00 C ATOM 1525 O SER A 97 72.523 36.060 -20.558 1.00 0.00 O ATOM 1526 CB SER A 97 75.452 35.375 -21.763 1.00 0.00 C ATOM 1527 OG SER A 97 74.706 34.252 -22.200 1.00 0.00 O ATOM 0 H SER A 97 76.400 37.648 -21.692 1.00 0.00 H new ATOM 0 HA SER A 97 73.952 36.680 -22.578 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.281 35.554 -22.448 1.00 0.00 H new ATOM 0 HB3 SER A 97 75.886 35.169 -20.785 1.00 0.00 H new ATOM 0 HG SER A 97 75.292 33.467 -22.244 1.00 0.00 H new ATOM 1533 N HIS A 98 74.154 36.998 -19.323 1.00 0.00 N ATOM 1534 CA HIS A 98 73.382 36.972 -18.086 1.00 0.00 C ATOM 1535 C HIS A 98 72.253 37.998 -18.129 1.00 0.00 C ATOM 1536 O HIS A 98 71.146 37.739 -17.655 1.00 0.00 O ATOM 1537 CB HIS A 98 74.291 37.246 -16.887 1.00 0.00 C ATOM 1538 CG HIS A 98 73.711 36.797 -15.581 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.461 37.177 -15.142 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.218 35.992 -14.618 1.00 0.00 C ATOM 1541 CE1 HIS A 98 72.224 36.627 -13.964 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.275 35.903 -13.624 1.00 0.00 N ATOM 0 H HIS A 98 75.089 37.395 -19.229 1.00 0.00 H new ATOM 0 HA HIS A 98 72.944 35.980 -17.981 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.246 36.744 -17.043 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.498 38.315 -16.835 1.00 0.00 H new ATOM 0 HD1 HIS A 98 71.819 37.788 -15.647 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.184 35.510 -14.629 1.00 0.00 H new ATOM 0 HE1 HIS A 98 71.324 36.749 -13.379 1.00 0.00 H new ATOM 1550 N LEU A 99 72.541 39.164 -18.698 1.00 0.00 N ATOM 1551 CA LEU A 99 71.551 40.229 -18.803 1.00 0.00 C ATOM 1552 C LEU A 99 70.499 39.895 -19.855 1.00 0.00 C ATOM 1553 O LEU A 99 69.355 40.341 -19.768 1.00 0.00 O ATOM 1554 CB LEU A 99 72.233 41.554 -19.150 1.00 0.00 C ATOM 1555 CG LEU A 99 72.217 42.624 -18.057 1.00 0.00 C ATOM 1556 CD1 LEU A 99 72.978 42.144 -16.830 1.00 0.00 C ATOM 1557 CD2 LEU A 99 72.807 43.926 -18.577 1.00 0.00 C ATOM 0 H LEU A 99 73.452 39.395 -19.094 1.00 0.00 H new ATOM 0 HA LEU A 99 71.054 40.325 -17.838 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.270 41.348 -19.413 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.754 41.964 -20.039 1.00 0.00 H new ATOM 0 HG LEU A 99 71.182 42.807 -17.769 1.00 0.00 H new ATOM 0 HD11 LEU A 99 72.956 42.918 -16.063 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.512 41.237 -16.444 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.012 41.932 -17.103 1.00 0.00 H new ATOM 0 HD21 LEU A 99 72.788 44.676 -17.786 1.00 0.00 H new ATOM 0 HD22 LEU A 99 73.837 43.758 -18.893 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.220 44.278 -19.425 1.00 0.00 H new ATOM 1569 N SER A 100 70.894 39.104 -20.848 1.00 0.00 N ATOM 1570 CA SER A 100 69.986 38.710 -21.919 1.00 0.00 C ATOM 1571 C SER A 100 69.223 37.443 -21.546 1.00 0.00 C ATOM 1572 O SER A 100 68.108 37.216 -22.015 1.00 0.00 O ATOM 1573 CB SER A 100 70.762 38.488 -23.219 1.00 0.00 C ATOM 1574 OG SER A 100 71.725 37.460 -23.068 1.00 0.00 O ATOM 0 H SER A 100 71.837 38.724 -20.933 1.00 0.00 H new ATOM 0 HA SER A 100 69.267 39.516 -22.067 1.00 0.00 H new ATOM 0 HB2 SER A 100 70.070 38.227 -24.020 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.256 39.414 -23.514 1.00 0.00 H new ATOM 0 HG SER A 100 71.775 37.194 -22.126 1.00 0.00 H new ATOM 1580 N TYR A 101 69.833 36.621 -20.700 1.00 0.00 N ATOM 1581 CA TYR A 101 69.214 35.375 -20.264 1.00 0.00 C ATOM 1582 C TYR A 101 67.944 35.647 -19.464 1.00 0.00 C ATOM 1583 O TYR A 101 66.926 34.979 -19.646 1.00 0.00 O ATOM 1584 CB TYR A 101 70.197 34.560 -19.421 1.00 0.00 C ATOM 1585 CG TYR A 101 69.572 33.349 -18.765 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.210 32.237 -19.515 1.00 0.00 C ATOM 1587 CD2 TYR A 101 69.345 33.318 -17.394 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.639 31.129 -18.919 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.775 32.214 -16.790 1.00 0.00 C ATOM 1590 CZ TYR A 101 68.424 31.122 -17.557 1.00 0.00 C ATOM 1591 OH TYR A 101 67.856 30.020 -16.959 1.00 0.00 O ATOM 0 H TYR A 101 70.756 36.795 -20.302 1.00 0.00 H new ATOM 0 HA TYR A 101 68.946 34.803 -21.152 1.00 0.00 H new ATOM 0 HB2 TYR A 101 71.023 34.235 -20.054 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.621 35.203 -18.649 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.378 32.239 -20.582 1.00 0.00 H new ATOM 0 HD2 TYR A 101 69.619 34.171 -16.791 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.363 30.273 -19.517 1.00 0.00 H new ATOM 0 HE2 TYR A 101 68.605 32.206 -15.723 1.00 0.00 H new ATOM 0 HH TYR A 101 67.775 30.176 -15.995 1.00 0.00 H new ATOM 1601 N LEU A 102 68.012 36.635 -18.578 1.00 0.00 N ATOM 1602 CA LEU A 102 66.868 36.999 -17.749 1.00 0.00 C ATOM 1603 C LEU A 102 65.770 37.643 -18.589 1.00 0.00 C ATOM 1604 O LEU A 102 64.583 37.490 -18.300 1.00 0.00 O ATOM 1605 CB LEU A 102 67.303 37.956 -16.637 1.00 0.00 C ATOM 1606 CG LEU A 102 68.443 37.469 -15.741 1.00 0.00 C ATOM 1607 CD1 LEU A 102 69.115 38.644 -15.048 1.00 0.00 C ATOM 1608 CD2 LEU A 102 67.927 36.469 -14.718 1.00 0.00 C ATOM 0 H LEU A 102 68.847 37.198 -18.415 1.00 0.00 H new ATOM 0 HA LEU A 102 66.470 36.088 -17.301 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.604 38.899 -17.093 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.438 38.168 -16.008 1.00 0.00 H new ATOM 0 HG LEU A 102 69.183 36.970 -16.366 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.924 38.279 -14.415 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.520 39.325 -15.797 1.00 0.00 H new ATOM 0 HD13 LEU A 102 68.384 39.171 -14.435 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.752 36.133 -14.089 1.00 0.00 H new ATOM 0 HD22 LEU A 102 67.167 36.943 -14.097 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.492 35.613 -15.234 1.00 0.00 H new