USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=15 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 141:sc= -0.472 USER MOD Set 1.2: A 91 ASN : amide:sc= -3.49! C(o=-4!,f=-7.9!) USER MOD Set 2.1: A 57 TYR OH : rot 130:sc= 0 USER MOD Set 2.2: A 98 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-0.95) USER MOD Set 3.1: A 42 THR OG1 : rot -98:sc= 1.42 USER MOD Set 3.2: A 45 HIS : no HD1:sc= 0.607 K(o=2,f=-4.4) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.003) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -61:sc= 0.0265 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= 0.126 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.087) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -18:sc= 0.729 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -158:sc= -0.0414 (180deg=-0.275) USER MOD Single : A 79 ASN : amide:sc=-0.00529 X(o=-0.0053,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 67:sc= 1.29 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 66.632 37.889 -6.165 1.00 0.00 N ATOM 460 CA ILE A 33 67.804 38.012 -7.022 1.00 0.00 C ATOM 461 C ILE A 33 67.550 38.991 -8.163 1.00 0.00 C ATOM 462 O ILE A 33 68.467 39.666 -8.632 1.00 0.00 O ATOM 463 CB ILE A 33 68.217 36.650 -7.611 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.542 36.776 -8.364 1.00 0.00 C ATOM 465 CG2 ILE A 33 67.127 36.119 -8.530 1.00 0.00 C ATOM 466 CD1 ILE A 33 70.284 35.465 -8.506 1.00 0.00 C ATOM 0 HA ILE A 33 68.614 38.388 -6.397 1.00 0.00 H new ATOM 0 HB ILE A 33 68.352 35.942 -6.793 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.349 37.184 -9.356 1.00 0.00 H new ATOM 0 HG13 ILE A 33 70.180 37.491 -7.844 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.433 35.156 -8.939 1.00 0.00 H new ATOM 0 HG22 ILE A 33 66.203 35.996 -7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.963 36.824 -9.345 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.214 35.630 -9.050 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.508 35.065 -7.517 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.665 34.754 -9.053 1.00 0.00 H new ATOM 478 N VAL A 34 66.299 39.064 -8.606 1.00 0.00 N ATOM 479 CA VAL A 34 65.923 39.962 -9.691 1.00 0.00 C ATOM 480 C VAL A 34 64.457 40.369 -9.584 1.00 0.00 C ATOM 481 O VAL A 34 63.580 39.555 -9.295 1.00 0.00 O ATOM 482 CB VAL A 34 66.165 39.313 -11.067 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.134 39.798 -12.075 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.577 39.605 -11.552 1.00 0.00 C ATOM 0 H VAL A 34 65.528 38.512 -8.230 1.00 0.00 H new ATOM 0 HA VAL A 34 66.551 40.848 -9.600 1.00 0.00 H new ATOM 0 HB VAL A 34 66.057 38.233 -10.965 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.321 39.329 -13.041 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.135 39.532 -11.730 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.207 40.881 -12.177 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.731 39.139 -12.525 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.716 40.683 -11.639 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.297 39.203 -10.839 1.00 0.00 H new ATOM 494 N PRO A 35 64.183 41.660 -9.823 1.00 0.00 N ATOM 495 CA PRO A 35 62.824 42.206 -9.761 1.00 0.00 C ATOM 496 C PRO A 35 61.946 41.707 -10.904 1.00 0.00 C ATOM 497 O PRO A 35 60.819 41.263 -10.685 1.00 0.00 O ATOM 498 CB PRO A 35 63.042 43.716 -9.875 1.00 0.00 C ATOM 499 CG PRO A 35 64.337 43.859 -10.597 1.00 0.00 C ATOM 500 CD PRO A 35 65.179 42.687 -10.173 1.00 0.00 C ATOM 0 HA PRO A 35 62.305 41.904 -8.851 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.229 44.193 -10.422 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.083 44.185 -8.892 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.184 43.860 -11.676 1.00 0.00 H new ATOM 0 HG3 PRO A 35 64.823 44.801 -10.343 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.836 42.353 -10.976 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.815 42.936 -9.324 1.00 0.00 H new ATOM 508 N ALA A 36 62.471 41.781 -12.122 1.00 0.00 N ATOM 509 CA ALA A 36 61.735 41.334 -13.299 1.00 0.00 C ATOM 510 C ALA A 36 62.579 41.478 -14.561 1.00 0.00 C ATOM 511 O ALA A 36 62.911 40.488 -15.214 1.00 0.00 O ATOM 512 CB ALA A 36 60.437 42.115 -13.438 1.00 0.00 C ATOM 0 H ALA A 36 63.403 42.146 -12.320 1.00 0.00 H new ATOM 0 HA ALA A 36 61.498 40.278 -13.170 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.898 41.771 -14.321 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.821 41.958 -12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.661 43.177 -13.540 1.00 0.00 H new ATOM 518 N ASP A 37 62.923 42.716 -14.899 1.00 0.00 N ATOM 519 CA ASP A 37 63.728 42.989 -16.084 1.00 0.00 C ATOM 520 C ASP A 37 64.934 43.855 -15.733 1.00 0.00 C ATOM 521 O ASP A 37 64.970 44.523 -14.700 1.00 0.00 O ATOM 522 CB ASP A 37 62.882 43.681 -17.154 1.00 0.00 C ATOM 523 CG ASP A 37 62.503 42.747 -18.286 1.00 0.00 C ATOM 524 OD1 ASP A 37 62.226 41.561 -18.009 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.482 43.202 -19.448 1.00 0.00 O ATOM 0 H ASP A 37 62.657 43.546 -14.369 1.00 0.00 H new ATOM 0 HA ASP A 37 64.087 42.038 -16.476 1.00 0.00 H new ATOM 0 HB2 ASP A 37 61.976 44.078 -16.696 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.434 44.530 -17.557 1.00 0.00 H new ATOM 530 N PRO A 38 65.948 43.843 -16.612 1.00 0.00 N ATOM 531 CA PRO A 38 67.174 44.622 -16.416 1.00 0.00 C ATOM 532 C PRO A 38 66.938 46.121 -16.559 1.00 0.00 C ATOM 533 O PRO A 38 67.765 46.933 -16.143 1.00 0.00 O ATOM 534 CB PRO A 38 68.096 44.117 -17.529 1.00 0.00 C ATOM 535 CG PRO A 38 67.174 43.616 -18.587 1.00 0.00 C ATOM 536 CD PRO A 38 65.973 43.070 -17.865 1.00 0.00 C ATOM 0 HA PRO A 38 67.583 44.494 -15.414 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.735 44.915 -17.906 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.754 43.325 -17.170 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.889 44.418 -19.268 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.653 42.843 -19.188 1.00 0.00 H new ATOM 0 HD2 PRO A 38 65.059 43.210 -18.442 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.070 42.001 -17.676 1.00 0.00 H new ATOM 544 N THR A 39 65.804 46.484 -17.151 1.00 0.00 N ATOM 545 CA THR A 39 65.460 47.886 -17.349 1.00 0.00 C ATOM 546 C THR A 39 64.872 48.493 -16.081 1.00 0.00 C ATOM 547 O THR A 39 65.012 49.690 -15.830 1.00 0.00 O ATOM 548 CB THR A 39 64.453 48.059 -18.502 1.00 0.00 C ATOM 549 OG1 THR A 39 63.224 47.397 -18.183 1.00 0.00 O ATOM 550 CG2 THR A 39 65.015 47.499 -19.800 1.00 0.00 C ATOM 0 H THR A 39 65.108 45.826 -17.502 1.00 0.00 H new ATOM 0 HA THR A 39 66.384 48.405 -17.602 1.00 0.00 H new ATOM 0 HB THR A 39 64.267 49.125 -18.635 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.589 47.513 -18.920 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.286 47.632 -20.600 1.00 0.00 H new ATOM 0 HG22 THR A 39 65.935 48.026 -20.055 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.227 46.437 -19.676 1.00 0.00 H new ATOM 558 N LEU A 40 64.213 47.660 -15.283 1.00 0.00 N ATOM 559 CA LEU A 40 63.604 48.114 -14.038 1.00 0.00 C ATOM 560 C LEU A 40 64.435 47.681 -12.834 1.00 0.00 C ATOM 561 O LEU A 40 63.899 47.181 -11.845 1.00 0.00 O ATOM 562 CB LEU A 40 62.181 47.566 -13.913 1.00 0.00 C ATOM 563 CG LEU A 40 61.209 47.961 -15.026 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.047 46.983 -15.091 1.00 0.00 C ATOM 565 CD2 LEU A 40 60.704 49.380 -14.812 1.00 0.00 C ATOM 0 H LEU A 40 64.087 46.666 -15.476 1.00 0.00 H new ATOM 0 HA LEU A 40 63.567 49.203 -14.058 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.234 46.478 -13.874 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.767 47.899 -12.961 1.00 0.00 H new ATOM 0 HG LEU A 40 61.740 47.925 -15.977 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.366 47.280 -15.888 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.426 45.981 -15.292 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.515 46.986 -14.140 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.014 49.645 -15.613 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.189 49.442 -13.853 1.00 0.00 H new ATOM 0 HD23 LEU A 40 61.547 50.071 -14.816 1.00 0.00 H new ATOM 577 N TRP A 41 65.745 47.879 -12.925 1.00 0.00 N ATOM 578 CA TRP A 41 66.650 47.511 -11.842 1.00 0.00 C ATOM 579 C TRP A 41 66.915 48.701 -10.926 1.00 0.00 C ATOM 580 O TRP A 41 66.610 49.843 -11.271 1.00 0.00 O ATOM 581 CB TRP A 41 67.970 46.985 -12.410 1.00 0.00 C ATOM 582 CG TRP A 41 68.044 45.489 -12.451 1.00 0.00 C ATOM 583 CD1 TRP A 41 66.996 44.619 -12.555 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.229 44.687 -12.386 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.459 43.325 -12.559 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.824 43.340 -12.457 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.591 44.977 -12.277 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.735 42.287 -12.421 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.494 43.931 -12.241 1.00 0.00 C ATOM 590 CH2 TRP A 41 71.063 42.600 -12.314 1.00 0.00 C ATOM 0 H TRP A 41 66.204 48.292 -13.737 1.00 0.00 H new ATOM 0 HA TRP A 41 66.175 46.724 -11.256 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.105 47.376 -13.418 1.00 0.00 H new ATOM 0 HB3 TRP A 41 68.794 47.366 -11.807 1.00 0.00 H new ATOM 0 HD1 TRP A 41 65.957 44.906 -12.624 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.879 42.489 -12.627 1.00 0.00 H new ATOM 0 HE3 TRP A 41 70.932 46.000 -12.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.405 41.260 -12.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.549 44.143 -12.155 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.793 41.805 -12.285 1.00 0.00 H new ATOM 601 N THR A 42 67.485 48.427 -9.757 1.00 0.00 N ATOM 602 CA THR A 42 67.790 49.474 -8.791 1.00 0.00 C ATOM 603 C THR A 42 69.294 49.690 -8.670 1.00 0.00 C ATOM 604 O THR A 42 70.074 49.119 -9.431 1.00 0.00 O ATOM 605 CB THR A 42 67.217 49.140 -7.400 1.00 0.00 C ATOM 606 OG1 THR A 42 67.956 48.063 -6.812 1.00 0.00 O ATOM 607 CG2 THR A 42 65.747 48.760 -7.497 1.00 0.00 C ATOM 0 H THR A 42 67.745 47.488 -9.456 1.00 0.00 H new ATOM 0 HA THR A 42 67.323 50.388 -9.158 1.00 0.00 H new ATOM 0 HB THR A 42 67.306 50.027 -6.772 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.472 47.222 -6.948 1.00 0.00 H new ATOM 0 HG21 THR A 42 65.365 48.529 -6.503 1.00 0.00 H new ATOM 0 HG22 THR A 42 65.183 49.592 -7.918 1.00 0.00 H new ATOM 0 HG23 THR A 42 65.639 47.886 -8.140 1.00 0.00 H new ATOM 615 N GLN A 43 69.693 50.517 -7.709 1.00 0.00 N ATOM 616 CA GLN A 43 71.105 50.808 -7.490 1.00 0.00 C ATOM 617 C GLN A 43 71.798 49.643 -6.792 1.00 0.00 C ATOM 618 O GLN A 43 73.007 49.456 -6.929 1.00 0.00 O ATOM 619 CB GLN A 43 71.262 52.082 -6.658 1.00 0.00 C ATOM 620 CG GLN A 43 70.540 53.284 -7.245 1.00 0.00 C ATOM 621 CD GLN A 43 71.417 54.519 -7.307 1.00 0.00 C ATOM 622 OE1 GLN A 43 71.689 55.153 -6.287 1.00 0.00 O ATOM 623 NE2 GLN A 43 71.865 54.868 -8.507 1.00 0.00 N ATOM 0 H GLN A 43 69.059 50.997 -7.070 1.00 0.00 H new ATOM 0 HA GLN A 43 71.574 50.957 -8.462 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.885 51.898 -5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 43 72.322 52.316 -6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.192 53.039 -8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 43 69.656 53.501 -6.645 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.615 54.314 -9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 43 72.459 55.690 -8.610 1.00 0.00 H new ATOM 632 N GLU A 44 71.025 48.862 -6.043 1.00 0.00 N ATOM 633 CA GLU A 44 71.566 47.716 -5.323 1.00 0.00 C ATOM 634 C GLU A 44 71.676 46.500 -6.239 1.00 0.00 C ATOM 635 O GLU A 44 72.669 45.773 -6.208 1.00 0.00 O ATOM 636 CB GLU A 44 70.687 47.381 -4.117 1.00 0.00 C ATOM 637 CG GLU A 44 71.455 46.782 -2.951 1.00 0.00 C ATOM 638 CD GLU A 44 71.257 47.556 -1.662 1.00 0.00 C ATOM 639 OE1 GLU A 44 71.210 48.803 -1.721 1.00 0.00 O ATOM 640 OE2 GLU A 44 71.150 46.916 -0.595 1.00 0.00 O ATOM 0 H GLU A 44 70.022 49.003 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 44 72.565 47.978 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 44 70.184 48.288 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.911 46.682 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 44 71.137 45.750 -2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 44 72.517 46.756 -3.195 1.00 0.00 H new ATOM 647 N HIS A 45 70.648 46.286 -7.055 1.00 0.00 N ATOM 648 CA HIS A 45 70.628 45.159 -7.980 1.00 0.00 C ATOM 649 C HIS A 45 71.855 45.178 -8.886 1.00 0.00 C ATOM 650 O HIS A 45 72.294 44.138 -9.376 1.00 0.00 O ATOM 651 CB HIS A 45 69.355 45.189 -8.826 1.00 0.00 C ATOM 652 CG HIS A 45 68.133 44.741 -8.085 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.079 45.580 -7.794 1.00 0.00 N ATOM 654 CD2 HIS A 45 67.800 43.531 -7.576 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.151 44.907 -7.137 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.564 43.661 -6.992 1.00 0.00 N ATOM 0 H HIS A 45 69.819 46.878 -7.094 1.00 0.00 H new ATOM 0 HA HIS A 45 70.645 44.240 -7.394 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.196 46.203 -9.193 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.494 44.552 -9.700 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.396 42.631 -7.621 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.214 45.308 -6.779 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.049 42.916 -6.523 1.00 0.00 H new ATOM 664 N VAL A 46 72.404 46.369 -9.106 1.00 0.00 N ATOM 665 CA VAL A 46 73.581 46.524 -9.953 1.00 0.00 C ATOM 666 C VAL A 46 74.857 46.193 -9.187 1.00 0.00 C ATOM 667 O VAL A 46 75.864 45.802 -9.778 1.00 0.00 O ATOM 668 CB VAL A 46 73.686 47.956 -10.511 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.934 48.105 -11.368 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.438 48.311 -11.305 1.00 0.00 C ATOM 0 H VAL A 46 72.052 47.240 -8.709 1.00 0.00 H new ATOM 0 HA VAL A 46 73.468 45.826 -10.783 1.00 0.00 H new ATOM 0 HB VAL A 46 73.765 48.649 -9.673 1.00 0.00 H new ATOM 0 HG11 VAL A 46 74.991 49.123 -11.753 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.817 47.895 -10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.889 47.404 -12.201 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.529 49.326 -11.692 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.325 47.615 -12.136 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.564 48.247 -10.657 1.00 0.00 H new ATOM 680 N ARG A 47 74.807 46.353 -7.869 1.00 0.00 N ATOM 681 CA ARG A 47 75.960 46.072 -7.021 1.00 0.00 C ATOM 682 C ARG A 47 75.979 44.606 -6.598 1.00 0.00 C ATOM 683 O ARG A 47 76.963 43.900 -6.818 1.00 0.00 O ATOM 684 CB ARG A 47 75.941 46.971 -5.783 1.00 0.00 C ATOM 685 CG ARG A 47 77.056 48.004 -5.764 1.00 0.00 C ATOM 686 CD ARG A 47 76.731 49.156 -4.826 1.00 0.00 C ATOM 687 NE ARG A 47 77.867 49.511 -3.980 1.00 0.00 N ATOM 688 CZ ARG A 47 78.228 48.818 -2.906 1.00 0.00 C ATOM 689 NH1 ARG A 47 77.545 47.740 -2.548 1.00 0.00 N ATOM 690 NH2 ARG A 47 79.274 49.204 -2.187 1.00 0.00 N ATOM 0 H ARG A 47 73.981 46.676 -7.365 1.00 0.00 H new ATOM 0 HA ARG A 47 76.862 46.278 -7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 47 74.981 47.484 -5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 47 76.018 46.349 -4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 47 77.987 47.531 -5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 47 77.216 48.388 -6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.429 50.025 -5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.883 48.884 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 47 78.413 50.336 -4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 47 76.740 47.441 -3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 47 77.825 47.210 -1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 47 79.802 50.034 -2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.551 48.671 -1.362 1.00 0.00 H new ATOM 704 N GLN A 48 74.886 44.157 -5.990 1.00 0.00 N ATOM 705 CA GLN A 48 74.779 42.775 -5.535 1.00 0.00 C ATOM 706 C GLN A 48 75.078 41.803 -6.671 1.00 0.00 C ATOM 707 O GLN A 48 75.881 40.883 -6.518 1.00 0.00 O ATOM 708 CB GLN A 48 73.381 42.508 -4.974 1.00 0.00 C ATOM 709 CG GLN A 48 73.163 43.086 -3.585 1.00 0.00 C ATOM 710 CD GLN A 48 72.383 42.151 -2.680 1.00 0.00 C ATOM 711 OE1 GLN A 48 71.325 42.510 -2.162 1.00 0.00 O ATOM 712 NE2 GLN A 48 72.903 40.945 -2.486 1.00 0.00 N ATOM 0 H GLN A 48 74.063 44.729 -5.801 1.00 0.00 H new ATOM 0 HA GLN A 48 75.515 42.620 -4.746 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.639 42.928 -5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.211 41.432 -4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 48 74.129 43.304 -3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 48 72.630 44.033 -3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 48 73.782 40.690 -2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 48 72.423 40.273 -1.887 1.00 0.00 H new ATOM 721 N TRP A 49 74.427 42.014 -7.810 1.00 0.00 N ATOM 722 CA TRP A 49 74.624 41.155 -8.972 1.00 0.00 C ATOM 723 C TRP A 49 76.104 41.037 -9.318 1.00 0.00 C ATOM 724 O TRP A 49 76.600 39.947 -9.606 1.00 0.00 O ATOM 725 CB TRP A 49 73.849 41.702 -10.172 1.00 0.00 C ATOM 726 CG TRP A 49 74.133 40.967 -11.447 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.739 39.699 -11.768 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.873 41.455 -12.571 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.190 39.370 -13.023 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.887 40.430 -13.538 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.523 42.659 -12.857 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.528 40.574 -14.766 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.158 42.800 -14.076 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.156 41.763 -15.018 1.00 0.00 C ATOM 0 H TRP A 49 73.759 42.772 -7.953 1.00 0.00 H new ATOM 0 HA TRP A 49 74.248 40.162 -8.727 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.781 41.649 -9.961 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.096 42.755 -10.305 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.158 39.050 -11.129 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.031 38.480 -13.495 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.529 43.465 -12.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.529 39.776 -15.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.665 43.726 -14.307 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.660 41.905 -15.962 1.00 0.00 H new ATOM 745 N LEU A 50 76.806 42.165 -9.288 1.00 0.00 N ATOM 746 CA LEU A 50 78.231 42.187 -9.599 1.00 0.00 C ATOM 747 C LEU A 50 79.015 41.318 -8.621 1.00 0.00 C ATOM 748 O LEU A 50 79.712 40.388 -9.024 1.00 0.00 O ATOM 749 CB LEU A 50 78.759 43.623 -9.559 1.00 0.00 C ATOM 750 CG LEU A 50 80.082 43.871 -10.284 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.868 43.905 -11.789 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.718 45.168 -9.804 1.00 0.00 C ATOM 0 H LEU A 50 76.412 43.076 -9.052 1.00 0.00 H new ATOM 0 HA LEU A 50 78.365 41.784 -10.603 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.003 44.279 -9.990 1.00 0.00 H new ATOM 0 HB3 LEU A 50 78.879 43.916 -8.516 1.00 0.00 H new ATOM 0 HG LEU A 50 80.760 43.050 -10.053 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.821 44.083 -12.288 1.00 0.00 H new ATOM 0 HD12 LEU A 50 79.457 42.951 -12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 50 79.172 44.706 -12.040 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.659 45.329 -10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.043 46.000 -10.005 1.00 0.00 H new ATOM 0 HD23 LEU A 50 80.908 45.105 -8.733 1.00 0.00 H new ATOM 764 N GLU A 51 78.893 41.627 -7.333 1.00 0.00 N ATOM 765 CA GLU A 51 79.590 40.872 -6.298 1.00 0.00 C ATOM 766 C GLU A 51 79.197 39.398 -6.342 1.00 0.00 C ATOM 767 O GLU A 51 79.972 38.527 -5.948 1.00 0.00 O ATOM 768 CB GLU A 51 79.280 41.453 -4.917 1.00 0.00 C ATOM 769 CG GLU A 51 80.206 42.588 -4.512 1.00 0.00 C ATOM 770 CD GLU A 51 80.163 42.873 -3.024 1.00 0.00 C ATOM 771 OE1 GLU A 51 79.290 43.656 -2.594 1.00 0.00 O ATOM 772 OE2 GLU A 51 81.003 42.313 -2.288 1.00 0.00 O ATOM 0 H GLU A 51 78.319 42.394 -6.982 1.00 0.00 H new ATOM 0 HA GLU A 51 80.661 40.950 -6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.251 41.813 -4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.347 40.658 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 51 81.227 42.340 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.930 43.490 -5.059 1.00 0.00 H new ATOM 779 N TRP A 52 77.989 39.129 -6.824 1.00 0.00 N ATOM 780 CA TRP A 52 77.493 37.760 -6.919 1.00 0.00 C ATOM 781 C TRP A 52 78.166 37.015 -8.066 1.00 0.00 C ATOM 782 O TRP A 52 78.662 35.903 -7.889 1.00 0.00 O ATOM 783 CB TRP A 52 75.976 37.759 -7.114 1.00 0.00 C ATOM 784 CG TRP A 52 75.387 36.383 -7.185 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.968 35.615 -6.137 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.155 35.611 -8.369 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.489 34.412 -6.597 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.592 34.385 -7.962 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.365 35.836 -9.731 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.239 33.390 -8.871 1.00 0.00 C ATOM 791 CZ3 TRP A 52 75.015 34.848 -10.632 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.456 33.638 -10.199 1.00 0.00 C ATOM 0 H TRP A 52 77.336 39.839 -7.155 1.00 0.00 H new ATOM 0 HA TRP A 52 77.733 37.247 -5.988 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.511 38.303 -6.292 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.734 38.298 -8.030 1.00 0.00 H new ATOM 0 HD1 TRP A 52 75.007 35.910 -5.099 1.00 0.00 H new ATOM 0 HE1 TRP A 52 74.117 33.661 -6.016 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.793 36.766 -10.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.809 32.456 -8.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.175 35.011 -11.688 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.191 32.886 -10.928 1.00 0.00 H new ATOM 803 N ALA A 53 78.179 37.635 -9.242 1.00 0.00 N ATOM 804 CA ALA A 53 78.794 37.031 -10.417 1.00 0.00 C ATOM 805 C ALA A 53 80.273 36.747 -10.178 1.00 0.00 C ATOM 806 O ALA A 53 80.750 35.640 -10.428 1.00 0.00 O ATOM 807 CB ALA A 53 78.616 37.934 -11.629 1.00 0.00 C ATOM 0 H ALA A 53 77.770 38.555 -9.406 1.00 0.00 H new ATOM 0 HA ALA A 53 78.296 36.081 -10.610 1.00 0.00 H new ATOM 0 HB1 ALA A 53 79.080 37.470 -12.499 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.553 38.081 -11.820 1.00 0.00 H new ATOM 0 HB3 ALA A 53 79.087 38.898 -11.437 1.00 0.00 H new ATOM 813 N ILE A 54 80.993 37.754 -9.695 1.00 0.00 N ATOM 814 CA ILE A 54 82.418 37.611 -9.423 1.00 0.00 C ATOM 815 C ILE A 54 82.680 36.467 -8.450 1.00 0.00 C ATOM 816 O ILE A 54 83.763 35.882 -8.439 1.00 0.00 O ATOM 817 CB ILE A 54 83.013 38.908 -8.844 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.765 40.079 -9.798 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.502 38.737 -8.582 1.00 0.00 C ATOM 820 CD1 ILE A 54 83.021 41.432 -9.173 1.00 0.00 C ATOM 0 H ILE A 54 80.613 38.677 -9.484 1.00 0.00 H new ATOM 0 HA ILE A 54 82.901 37.392 -10.376 1.00 0.00 H new ATOM 0 HB ILE A 54 82.520 39.125 -7.896 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.404 39.965 -10.674 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.734 40.039 -10.149 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.908 39.662 -8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.655 37.927 -7.869 1.00 0.00 H new ATOM 0 HG23 ILE A 54 85.011 38.499 -9.516 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.825 42.214 -9.906 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.363 41.567 -8.314 1.00 0.00 H new ATOM 0 HD13 ILE A 54 84.059 41.492 -8.847 1.00 0.00 H new ATOM 832 N LYS A 55 81.680 36.150 -7.634 1.00 0.00 N ATOM 833 CA LYS A 55 81.799 35.073 -6.658 1.00 0.00 C ATOM 834 C LYS A 55 81.434 33.731 -7.283 1.00 0.00 C ATOM 835 O LYS A 55 82.267 32.829 -7.370 1.00 0.00 O ATOM 836 CB LYS A 55 80.899 35.349 -5.452 1.00 0.00 C ATOM 837 CG LYS A 55 81.665 35.552 -4.156 1.00 0.00 C ATOM 838 CD LYS A 55 80.932 34.941 -2.973 1.00 0.00 C ATOM 839 CE LYS A 55 81.711 33.782 -2.372 1.00 0.00 C ATOM 840 NZ LYS A 55 80.814 32.796 -1.707 1.00 0.00 N ATOM 0 H LYS A 55 80.777 36.624 -7.629 1.00 0.00 H new ATOM 0 HA LYS A 55 82.836 35.029 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.299 36.237 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.206 34.517 -5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.655 35.103 -4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.812 36.618 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 55 80.768 35.704 -2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.950 34.593 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 55 82.282 33.283 -3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.430 34.165 -1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 81.383 32.021 -1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 80.288 33.266 -0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 80.144 32.412 -2.403 1.00 0.00 H new ATOM 854 N GLU A 56 80.183 33.606 -7.717 1.00 0.00 N ATOM 855 CA GLU A 56 79.709 32.373 -8.334 1.00 0.00 C ATOM 856 C GLU A 56 80.620 31.955 -9.485 1.00 0.00 C ATOM 857 O GLU A 56 81.265 30.908 -9.433 1.00 0.00 O ATOM 858 CB GLU A 56 78.276 32.548 -8.840 1.00 0.00 C ATOM 859 CG GLU A 56 77.501 31.244 -8.935 1.00 0.00 C ATOM 860 CD GLU A 56 77.134 30.683 -7.575 1.00 0.00 C ATOM 861 OE1 GLU A 56 77.652 31.197 -6.562 1.00 0.00 O ATOM 862 OE2 GLU A 56 76.330 29.729 -7.525 1.00 0.00 O ATOM 0 H GLU A 56 79.481 34.343 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 56 79.726 31.588 -7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.745 33.229 -8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.301 33.018 -9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.592 31.407 -9.514 1.00 0.00 H new ATOM 0 HG3 GLU A 56 78.097 30.510 -9.478 1.00 0.00 H new ATOM 869 N TYR A 57 80.666 32.782 -10.525 1.00 0.00 N ATOM 870 CA TYR A 57 81.494 32.498 -11.690 1.00 0.00 C ATOM 871 C TYR A 57 82.972 32.462 -11.313 1.00 0.00 C ATOM 872 O TYR A 57 83.776 31.799 -11.968 1.00 0.00 O ATOM 873 CB TYR A 57 81.259 33.549 -12.777 1.00 0.00 C ATOM 874 CG TYR A 57 79.887 33.470 -13.408 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.638 32.610 -14.471 1.00 0.00 C ATOM 876 CD2 TYR A 57 78.840 34.257 -12.943 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.387 32.536 -15.051 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.586 34.188 -13.517 1.00 0.00 C ATOM 879 CZ TYR A 57 77.364 33.326 -14.570 1.00 0.00 C ATOM 880 OH TYR A 57 76.116 33.255 -15.145 1.00 0.00 O ATOM 0 H TYR A 57 80.140 33.654 -10.584 1.00 0.00 H new ATOM 0 HA TYR A 57 81.212 31.518 -12.074 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.396 34.541 -12.347 1.00 0.00 H new ATOM 0 HB3 TYR A 57 82.014 33.432 -13.554 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.436 31.989 -14.850 1.00 0.00 H new ATOM 0 HD2 TYR A 57 79.010 34.934 -12.119 1.00 0.00 H new ATOM 0 HE1 TYR A 57 78.211 31.863 -15.877 1.00 0.00 H new ATOM 0 HE2 TYR A 57 76.783 34.806 -13.143 1.00 0.00 H new ATOM 0 HH TYR A 57 75.440 33.136 -14.446 1.00 0.00 H new ATOM 890 N SER A 58 83.322 33.181 -10.251 1.00 0.00 N ATOM 891 CA SER A 58 84.703 33.236 -9.787 1.00 0.00 C ATOM 892 C SER A 58 85.606 33.868 -10.841 1.00 0.00 C ATOM 893 O SER A 58 86.582 33.261 -11.285 1.00 0.00 O ATOM 894 CB SER A 58 85.205 31.831 -9.445 1.00 0.00 C ATOM 895 OG SER A 58 86.410 31.887 -8.702 1.00 0.00 O ATOM 0 H SER A 58 82.668 33.733 -9.696 1.00 0.00 H new ATOM 0 HA SER A 58 84.734 33.854 -8.890 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.445 31.299 -8.872 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.366 31.265 -10.363 1.00 0.00 H new ATOM 0 HG SER A 58 87.103 32.330 -9.235 1.00 0.00 H new ATOM 901 N LEU A 59 85.274 35.091 -11.239 1.00 0.00 N ATOM 902 CA LEU A 59 86.054 35.807 -12.242 1.00 0.00 C ATOM 903 C LEU A 59 87.368 36.310 -11.653 1.00 0.00 C ATOM 904 O LEU A 59 87.678 36.052 -10.490 1.00 0.00 O ATOM 905 CB LEU A 59 85.249 36.983 -12.799 1.00 0.00 C ATOM 906 CG LEU A 59 83.826 36.664 -13.258 1.00 0.00 C ATOM 907 CD1 LEU A 59 83.062 37.945 -13.558 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.850 35.757 -14.479 1.00 0.00 C ATOM 0 H LEU A 59 84.470 35.608 -10.882 1.00 0.00 H new ATOM 0 HA LEU A 59 86.282 35.114 -13.052 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.198 37.757 -12.033 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.796 37.405 -13.643 1.00 0.00 H new ATOM 0 HG LEU A 59 83.314 36.140 -12.451 1.00 0.00 H new ATOM 0 HD11 LEU A 59 82.051 37.698 -13.883 1.00 0.00 H new ATOM 0 HD12 LEU A 59 83.014 38.559 -12.659 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.573 38.497 -14.347 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.828 35.541 -14.792 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.380 36.254 -15.291 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.358 34.825 -14.230 1.00 0.00 H new ATOM 920 N MET A 60 88.137 37.030 -12.464 1.00 0.00 N ATOM 921 CA MET A 60 89.417 37.572 -12.021 1.00 0.00 C ATOM 922 C MET A 60 89.720 38.892 -12.723 1.00 0.00 C ATOM 923 O MET A 60 89.590 39.001 -13.941 1.00 0.00 O ATOM 924 CB MET A 60 90.540 36.569 -12.289 1.00 0.00 C ATOM 925 CG MET A 60 90.548 36.031 -13.711 1.00 0.00 C ATOM 926 SD MET A 60 92.186 36.078 -14.462 1.00 0.00 S ATOM 927 CE MET A 60 92.144 34.591 -15.460 1.00 0.00 C ATOM 0 H MET A 60 87.896 37.251 -13.430 1.00 0.00 H new ATOM 0 HA MET A 60 89.354 37.757 -10.949 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.498 37.046 -12.084 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.444 35.735 -11.594 1.00 0.00 H new ATOM 0 HG2 MET A 60 90.183 35.004 -13.709 1.00 0.00 H new ATOM 0 HG3 MET A 60 89.857 36.614 -14.320 1.00 0.00 H new ATOM 0 HE1 MET A 60 93.091 34.481 -15.988 1.00 0.00 H new ATOM 0 HE2 MET A 60 91.984 33.726 -14.817 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.331 34.661 -16.183 1.00 0.00 H new ATOM 937 N GLU A 61 90.124 39.892 -11.945 1.00 0.00 N ATOM 938 CA GLU A 61 90.444 41.204 -12.493 1.00 0.00 C ATOM 939 C GLU A 61 89.248 41.788 -13.241 1.00 0.00 C ATOM 940 O GLU A 61 89.067 41.538 -14.433 1.00 0.00 O ATOM 941 CB GLU A 61 91.649 41.109 -13.431 1.00 0.00 C ATOM 942 CG GLU A 61 92.875 40.485 -12.785 1.00 0.00 C ATOM 943 CD GLU A 61 94.145 40.748 -13.570 1.00 0.00 C ATOM 944 OE1 GLU A 61 94.437 41.931 -13.847 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.847 39.773 -13.909 1.00 0.00 O ATOM 0 H GLU A 61 90.237 39.818 -10.934 1.00 0.00 H new ATOM 0 HA GLU A 61 90.690 41.866 -11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 61 91.372 40.522 -14.307 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.904 42.108 -13.784 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.989 40.878 -11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.725 39.409 -12.693 1.00 0.00 H new ATOM 952 N ILE A 62 88.436 42.564 -12.532 1.00 0.00 N ATOM 953 CA ILE A 62 87.259 43.184 -13.128 1.00 0.00 C ATOM 954 C ILE A 62 86.925 44.503 -12.441 1.00 0.00 C ATOM 955 O ILE A 62 87.006 44.616 -11.218 1.00 0.00 O ATOM 956 CB ILE A 62 86.034 42.253 -13.052 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.882 42.822 -13.883 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.605 42.060 -11.605 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.764 41.832 -14.123 1.00 0.00 C ATOM 0 H ILE A 62 88.571 42.779 -11.544 1.00 0.00 H new ATOM 0 HA ILE A 62 87.497 43.373 -14.175 1.00 0.00 H new ATOM 0 HB ILE A 62 86.308 41.281 -13.462 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.478 43.699 -13.377 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.270 43.160 -14.844 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.738 41.400 -11.567 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.424 41.616 -11.039 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.345 43.025 -11.171 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.982 42.303 -14.718 1.00 0.00 H new ATOM 0 HD12 ILE A 62 84.154 40.965 -14.657 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.349 41.513 -13.167 1.00 0.00 H new ATOM 971 N ASP A 63 86.547 45.498 -13.236 1.00 0.00 N ATOM 972 CA ASP A 63 86.196 46.810 -12.704 1.00 0.00 C ATOM 973 C ASP A 63 84.927 46.734 -11.862 1.00 0.00 C ATOM 974 O ASP A 63 83.936 46.123 -12.265 1.00 0.00 O ATOM 975 CB ASP A 63 86.007 47.812 -13.844 1.00 0.00 C ATOM 976 CG ASP A 63 87.298 48.092 -14.589 1.00 0.00 C ATOM 977 OD1 ASP A 63 88.253 47.301 -14.440 1.00 0.00 O ATOM 978 OD2 ASP A 63 87.353 49.103 -15.320 1.00 0.00 O ATOM 0 H ASP A 63 86.476 45.421 -14.251 1.00 0.00 H new ATOM 0 HA ASP A 63 87.014 47.146 -12.066 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.264 47.427 -14.543 1.00 0.00 H new ATOM 0 HB3 ASP A 63 85.613 48.745 -13.442 1.00 0.00 H new ATOM 983 N THR A 64 84.963 47.357 -10.688 1.00 0.00 N ATOM 984 CA THR A 64 83.817 47.358 -9.787 1.00 0.00 C ATOM 985 C THR A 64 83.267 48.767 -9.599 1.00 0.00 C ATOM 986 O THR A 64 82.076 48.950 -9.345 1.00 0.00 O ATOM 987 CB THR A 64 84.185 46.775 -8.410 1.00 0.00 C ATOM 988 OG1 THR A 64 85.597 46.873 -8.197 1.00 0.00 O ATOM 989 CG2 THR A 64 83.751 45.320 -8.305 1.00 0.00 C ATOM 0 H THR A 64 85.774 47.868 -10.339 1.00 0.00 H new ATOM 0 HA THR A 64 83.053 46.731 -10.246 1.00 0.00 H new ATOM 0 HB THR A 64 83.662 47.350 -7.646 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.822 46.502 -7.318 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.021 44.930 -7.324 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.671 45.252 -8.438 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.249 44.735 -9.078 1.00 0.00 H new ATOM 997 N SER A 65 84.141 49.761 -9.726 1.00 0.00 N ATOM 998 CA SER A 65 83.743 51.154 -9.566 1.00 0.00 C ATOM 999 C SER A 65 82.818 51.588 -10.699 1.00 0.00 C ATOM 1000 O SER A 65 81.967 52.460 -10.523 1.00 0.00 O ATOM 1001 CB SER A 65 84.976 52.058 -9.526 1.00 0.00 C ATOM 1002 OG SER A 65 86.142 51.348 -9.907 1.00 0.00 O ATOM 0 H SER A 65 85.129 49.627 -9.939 1.00 0.00 H new ATOM 0 HA SER A 65 83.203 51.245 -8.623 1.00 0.00 H new ATOM 0 HB2 SER A 65 84.830 52.908 -10.193 1.00 0.00 H new ATOM 0 HB3 SER A 65 85.103 52.460 -8.521 1.00 0.00 H new ATOM 0 HG SER A 65 86.916 51.949 -9.875 1.00 0.00 H new ATOM 1008 N PHE A 66 82.991 50.972 -11.864 1.00 0.00 N ATOM 1009 CA PHE A 66 82.173 51.294 -13.028 1.00 0.00 C ATOM 1010 C PHE A 66 80.696 51.040 -12.742 1.00 0.00 C ATOM 1011 O PHE A 66 79.820 51.674 -13.330 1.00 0.00 O ATOM 1012 CB PHE A 66 82.620 50.468 -14.236 1.00 0.00 C ATOM 1013 CG PHE A 66 82.903 51.296 -15.457 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.956 52.197 -15.471 1.00 0.00 C ATOM 1015 CD2 PHE A 66 82.116 51.174 -16.591 1.00 0.00 C ATOM 1016 CE1 PHE A 66 84.218 52.960 -16.592 1.00 0.00 C ATOM 1017 CE2 PHE A 66 82.374 51.935 -17.716 1.00 0.00 C ATOM 1018 CZ PHE A 66 83.427 52.828 -17.717 1.00 0.00 C ATOM 0 H PHE A 66 83.690 50.247 -12.027 1.00 0.00 H new ATOM 0 HA PHE A 66 82.304 52.353 -13.252 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.517 49.908 -13.971 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.846 49.738 -14.473 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.579 52.304 -14.595 1.00 0.00 H new ATOM 0 HD2 PHE A 66 81.292 50.476 -16.596 1.00 0.00 H new ATOM 0 HE1 PHE A 66 85.041 53.660 -16.589 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.753 51.831 -18.593 1.00 0.00 H new ATOM 0 HZ PHE A 66 83.632 53.422 -18.595 1.00 0.00 H new ATOM 1028 N PHE A 67 80.427 50.106 -11.835 1.00 0.00 N ATOM 1029 CA PHE A 67 79.057 49.766 -11.472 1.00 0.00 C ATOM 1030 C PHE A 67 78.712 50.304 -10.086 1.00 0.00 C ATOM 1031 O PHE A 67 77.872 49.744 -9.383 1.00 0.00 O ATOM 1032 CB PHE A 67 78.859 48.249 -11.505 1.00 0.00 C ATOM 1033 CG PHE A 67 79.417 47.599 -12.739 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.666 47.530 -13.902 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.692 47.057 -12.737 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.175 46.933 -15.039 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.207 46.459 -13.872 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.448 46.396 -15.024 1.00 0.00 C ATOM 0 H PHE A 67 81.140 49.572 -11.338 1.00 0.00 H new ATOM 0 HA PHE A 67 78.390 50.229 -12.199 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.332 47.810 -10.627 1.00 0.00 H new ATOM 0 HB3 PHE A 67 77.794 48.028 -11.437 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.670 47.948 -13.919 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.290 47.102 -11.839 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.579 46.886 -15.938 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.203 46.041 -13.858 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.849 45.928 -15.911 1.00 0.00 H new ATOM 1048 N GLN A 68 79.367 51.395 -9.702 1.00 0.00 N ATOM 1049 CA GLN A 68 79.132 52.009 -8.400 1.00 0.00 C ATOM 1050 C GLN A 68 77.675 52.436 -8.256 1.00 0.00 C ATOM 1051 O GLN A 68 76.952 51.933 -7.397 1.00 0.00 O ATOM 1052 CB GLN A 68 80.051 53.216 -8.208 1.00 0.00 C ATOM 1053 CG GLN A 68 81.254 52.929 -7.323 1.00 0.00 C ATOM 1054 CD GLN A 68 81.454 53.984 -6.252 1.00 0.00 C ATOM 1055 OE1 GLN A 68 82.024 55.045 -6.509 1.00 0.00 O ATOM 1056 NE2 GLN A 68 80.986 53.697 -5.043 1.00 0.00 N ATOM 0 H GLN A 68 80.064 51.872 -10.274 1.00 0.00 H new ATOM 0 HA GLN A 68 79.353 51.268 -7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.400 53.555 -9.183 1.00 0.00 H new ATOM 0 HB3 GLN A 68 79.477 54.034 -7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.128 51.955 -6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 68 82.150 52.870 -7.941 1.00 0.00 H new ATOM 0 HE21 GLN A 68 80.520 52.805 -4.875 1.00 0.00 H new ATOM 0 HE22 GLN A 68 81.092 54.368 -4.282 1.00 0.00 H new ATOM 1065 N ASN A 69 77.250 53.369 -9.103 1.00 0.00 N ATOM 1066 CA ASN A 69 75.879 53.865 -9.068 1.00 0.00 C ATOM 1067 C ASN A 69 75.293 53.941 -10.475 1.00 0.00 C ATOM 1068 O ASN A 69 74.425 54.768 -10.752 1.00 0.00 O ATOM 1069 CB ASN A 69 75.831 55.245 -8.408 1.00 0.00 C ATOM 1070 CG ASN A 69 76.717 55.330 -7.180 1.00 0.00 C ATOM 1071 OD1 ASN A 69 77.640 56.142 -7.123 1.00 0.00 O ATOM 1072 ND2 ASN A 69 76.439 54.488 -6.191 1.00 0.00 N ATOM 0 H ASN A 69 77.835 53.796 -9.821 1.00 0.00 H new ATOM 0 HA ASN A 69 75.281 53.168 -8.481 1.00 0.00 H new ATOM 0 HB2 ASN A 69 76.141 56.001 -9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 69 74.803 55.475 -8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 69 77.001 54.498 -5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 69 75.664 53.832 -6.283 1.00 0.00 H new ATOM 1079 N MET A 70 75.774 53.072 -11.358 1.00 0.00 N ATOM 1080 CA MET A 70 75.296 53.040 -12.736 1.00 0.00 C ATOM 1081 C MET A 70 73.834 52.608 -12.794 1.00 0.00 C ATOM 1082 O MET A 70 73.433 51.649 -12.134 1.00 0.00 O ATOM 1083 CB MET A 70 76.154 52.090 -13.573 1.00 0.00 C ATOM 1084 CG MET A 70 75.872 52.172 -15.065 1.00 0.00 C ATOM 1085 SD MET A 70 77.351 52.527 -16.033 1.00 0.00 S ATOM 1086 CE MET A 70 77.833 50.875 -16.532 1.00 0.00 C ATOM 0 H MET A 70 76.494 52.381 -11.145 1.00 0.00 H new ATOM 0 HA MET A 70 75.376 54.047 -13.146 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.206 52.314 -13.398 1.00 0.00 H new ATOM 0 HB3 MET A 70 75.985 51.068 -13.235 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.440 51.230 -15.401 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.128 52.947 -15.248 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.736 50.928 -17.140 1.00 0.00 H new ATOM 0 HE2 MET A 70 78.026 50.269 -15.647 1.00 0.00 H new ATOM 0 HE3 MET A 70 77.030 50.422 -17.113 1.00 0.00 H new ATOM 1096 N ASP A 71 73.042 53.322 -13.587 1.00 0.00 N ATOM 1097 CA ASP A 71 71.625 53.012 -13.731 1.00 0.00 C ATOM 1098 C ASP A 71 71.430 51.692 -14.470 1.00 0.00 C ATOM 1099 O ASP A 71 72.108 51.416 -15.459 1.00 0.00 O ATOM 1100 CB ASP A 71 70.908 54.139 -14.477 1.00 0.00 C ATOM 1101 CG ASP A 71 71.381 55.512 -14.044 1.00 0.00 C ATOM 1102 OD1 ASP A 71 72.358 56.016 -14.636 1.00 0.00 O ATOM 1103 OD2 ASP A 71 70.776 56.083 -13.113 1.00 0.00 O ATOM 0 H ASP A 71 73.358 54.119 -14.140 1.00 0.00 H new ATOM 0 HA ASP A 71 71.196 52.916 -12.734 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.071 54.023 -15.548 1.00 0.00 H new ATOM 0 HB3 ASP A 71 69.834 54.058 -14.307 1.00 0.00 H new ATOM 1108 N GLY A 72 70.499 50.878 -13.982 1.00 0.00 N ATOM 1109 CA GLY A 72 70.232 49.596 -14.607 1.00 0.00 C ATOM 1110 C GLY A 72 69.953 49.721 -16.092 1.00 0.00 C ATOM 1111 O GLY A 72 70.287 48.830 -16.872 1.00 0.00 O ATOM 0 H GLY A 72 69.925 51.084 -13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.087 48.937 -14.455 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.378 49.128 -14.118 1.00 0.00 H new ATOM 1115 N LYS A 73 69.337 50.831 -16.484 1.00 0.00 N ATOM 1116 CA LYS A 73 69.012 51.072 -17.885 1.00 0.00 C ATOM 1117 C LYS A 73 70.278 51.144 -18.733 1.00 0.00 C ATOM 1118 O LYS A 73 70.263 50.806 -19.916 1.00 0.00 O ATOM 1119 CB LYS A 73 68.215 52.370 -18.029 1.00 0.00 C ATOM 1120 CG LYS A 73 66.721 52.151 -18.199 1.00 0.00 C ATOM 1121 CD LYS A 73 66.385 51.659 -19.597 1.00 0.00 C ATOM 1122 CE LYS A 73 65.527 52.663 -20.350 1.00 0.00 C ATOM 1123 NZ LYS A 73 65.077 52.131 -21.666 1.00 0.00 N ATOM 0 H LYS A 73 69.053 51.578 -15.851 1.00 0.00 H new ATOM 0 HA LYS A 73 68.405 50.239 -18.239 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.385 52.990 -17.149 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.592 52.925 -18.888 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.373 51.426 -17.464 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.191 53.083 -18.003 1.00 0.00 H new ATOM 0 HD2 LYS A 73 67.306 51.478 -20.151 1.00 0.00 H new ATOM 0 HD3 LYS A 73 65.860 50.706 -19.532 1.00 0.00 H new ATOM 0 HE2 LYS A 73 64.657 52.922 -19.746 1.00 0.00 H new ATOM 0 HE3 LYS A 73 66.093 53.581 -20.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 64.495 52.845 -22.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 65.907 51.907 -22.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 64.515 51.269 -21.518 1.00 0.00 H new ATOM 1137 N GLU A 74 71.372 51.585 -18.119 1.00 0.00 N ATOM 1138 CA GLU A 74 72.646 51.700 -18.819 1.00 0.00 C ATOM 1139 C GLU A 74 73.292 50.329 -19.001 1.00 0.00 C ATOM 1140 O GLU A 74 73.948 50.069 -20.010 1.00 0.00 O ATOM 1141 CB GLU A 74 73.593 52.624 -18.051 1.00 0.00 C ATOM 1142 CG GLU A 74 73.981 53.875 -18.822 1.00 0.00 C ATOM 1143 CD GLU A 74 75.303 54.457 -18.362 1.00 0.00 C ATOM 1144 OE1 GLU A 74 76.357 53.977 -18.828 1.00 0.00 O ATOM 1145 OE2 GLU A 74 75.283 55.394 -17.536 1.00 0.00 O ATOM 0 H GLU A 74 71.401 51.868 -17.140 1.00 0.00 H new ATOM 0 HA GLU A 74 72.454 52.126 -19.804 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.120 52.917 -17.114 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.496 52.071 -17.793 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.043 53.638 -19.884 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.199 54.625 -18.707 1.00 0.00 H new ATOM 1152 N LEU A 75 73.102 49.457 -18.017 1.00 0.00 N ATOM 1153 CA LEU A 75 73.666 48.112 -18.068 1.00 0.00 C ATOM 1154 C LEU A 75 73.241 47.391 -19.342 1.00 0.00 C ATOM 1155 O LEU A 75 74.081 46.952 -20.129 1.00 0.00 O ATOM 1156 CB LEU A 75 73.228 47.308 -16.842 1.00 0.00 C ATOM 1157 CG LEU A 75 74.337 46.919 -15.863 1.00 0.00 C ATOM 1158 CD1 LEU A 75 75.126 48.147 -15.436 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.753 46.209 -14.651 1.00 0.00 C ATOM 0 H LEU A 75 72.562 49.657 -17.175 1.00 0.00 H new ATOM 0 HA LEU A 75 74.752 48.200 -18.068 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.480 47.887 -16.301 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.738 46.397 -17.186 1.00 0.00 H new ATOM 0 HG LEU A 75 75.017 46.233 -16.367 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.911 47.851 -14.740 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.576 48.613 -16.313 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.458 48.858 -14.949 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.556 45.940 -13.965 1.00 0.00 H new ATOM 0 HD22 LEU A 75 73.051 46.871 -14.145 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.233 45.307 -14.973 1.00 0.00 H new ATOM 1171 N CYS A 76 71.933 47.273 -19.541 1.00 0.00 N ATOM 1172 CA CYS A 76 71.395 46.606 -20.721 1.00 0.00 C ATOM 1173 C CYS A 76 71.731 47.387 -21.987 1.00 0.00 C ATOM 1174 O CYS A 76 71.818 46.819 -23.076 1.00 0.00 O ATOM 1175 CB CYS A 76 69.880 46.442 -20.595 1.00 0.00 C ATOM 1176 SG CYS A 76 68.970 48.004 -20.549 1.00 0.00 S ATOM 0 H CYS A 76 71.225 47.631 -18.900 1.00 0.00 H new ATOM 0 HA CYS A 76 71.854 45.620 -20.791 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.519 45.848 -21.434 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.660 45.879 -19.688 1.00 0.00 H new ATOM 0 HG CYS A 76 69.786 48.973 -20.259 1.00 0.00 H new ATOM 1182 N LYS A 77 71.917 48.694 -21.838 1.00 0.00 N ATOM 1183 CA LYS A 77 72.242 49.555 -22.968 1.00 0.00 C ATOM 1184 C LYS A 77 73.662 49.294 -23.460 1.00 0.00 C ATOM 1185 O LYS A 77 73.965 49.480 -24.638 1.00 0.00 O ATOM 1186 CB LYS A 77 72.090 51.026 -22.576 1.00 0.00 C ATOM 1187 CG LYS A 77 70.852 51.686 -23.158 1.00 0.00 C ATOM 1188 CD LYS A 77 70.603 53.051 -22.537 1.00 0.00 C ATOM 1189 CE LYS A 77 69.115 53.342 -22.411 1.00 0.00 C ATOM 1190 NZ LYS A 77 68.860 54.613 -21.677 1.00 0.00 N ATOM 0 H LYS A 77 71.848 49.180 -20.944 1.00 0.00 H new ATOM 0 HA LYS A 77 71.548 49.327 -23.777 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.055 51.102 -21.489 1.00 0.00 H new ATOM 0 HB3 LYS A 77 72.973 51.574 -22.906 1.00 0.00 H new ATOM 0 HG2 LYS A 77 70.968 51.792 -24.237 1.00 0.00 H new ATOM 0 HG3 LYS A 77 69.985 51.046 -22.992 1.00 0.00 H new ATOM 0 HD2 LYS A 77 71.068 53.094 -21.552 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.075 53.821 -23.147 1.00 0.00 H new ATOM 0 HE2 LYS A 77 68.671 53.401 -23.405 1.00 0.00 H new ATOM 0 HE3 LYS A 77 68.626 52.518 -21.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 67.835 54.777 -21.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 69.262 54.548 -20.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 69.305 55.403 -22.186 1.00 0.00 H new ATOM 1204 N MET A 78 74.529 48.860 -22.550 1.00 0.00 N ATOM 1205 CA MET A 78 75.916 48.571 -22.893 1.00 0.00 C ATOM 1206 C MET A 78 76.005 47.378 -23.840 1.00 0.00 C ATOM 1207 O MET A 78 75.149 46.494 -23.820 1.00 0.00 O ATOM 1208 CB MET A 78 76.730 48.294 -21.628 1.00 0.00 C ATOM 1209 CG MET A 78 76.734 49.452 -20.643 1.00 0.00 C ATOM 1210 SD MET A 78 78.377 50.155 -20.403 1.00 0.00 S ATOM 1211 CE MET A 78 79.226 48.775 -19.639 1.00 0.00 C ATOM 0 H MET A 78 74.295 48.701 -21.570 1.00 0.00 H new ATOM 0 HA MET A 78 76.328 49.445 -23.398 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.329 47.409 -21.134 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.757 48.064 -21.910 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.059 50.230 -21.000 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.346 49.109 -19.684 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.090 49.141 -19.085 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.548 48.263 -18.956 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.557 48.080 -20.410 1.00 0.00 H new ATOM 1221 N ASN A 79 77.044 47.361 -24.667 1.00 0.00 N ATOM 1222 CA ASN A 79 77.243 46.276 -25.622 1.00 0.00 C ATOM 1223 C ASN A 79 78.585 45.587 -25.391 1.00 0.00 C ATOM 1224 O ASN A 79 79.316 45.923 -24.459 1.00 0.00 O ATOM 1225 CB ASN A 79 77.171 46.810 -27.054 1.00 0.00 C ATOM 1226 CG ASN A 79 76.029 47.788 -27.250 1.00 0.00 C ATOM 1227 OD1 ASN A 79 76.224 48.894 -27.753 1.00 0.00 O ATOM 1228 ND2 ASN A 79 74.829 47.383 -26.851 1.00 0.00 N ATOM 0 H ASN A 79 77.761 48.085 -24.696 1.00 0.00 H new ATOM 0 HA ASN A 79 76.449 45.544 -25.474 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.112 47.300 -27.304 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.053 45.975 -27.745 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.022 47.998 -26.956 1.00 0.00 H new ATOM 0 HD22 ASN A 79 74.714 46.457 -26.439 1.00 0.00 H new ATOM 1235 N LYS A 80 78.903 44.622 -26.246 1.00 0.00 N ATOM 1236 CA LYS A 80 80.157 43.886 -26.138 1.00 0.00 C ATOM 1237 C LYS A 80 81.348 44.838 -26.132 1.00 0.00 C ATOM 1238 O LYS A 80 82.369 44.565 -25.502 1.00 0.00 O ATOM 1239 CB LYS A 80 80.291 42.893 -27.295 1.00 0.00 C ATOM 1240 CG LYS A 80 81.228 41.735 -26.997 1.00 0.00 C ATOM 1241 CD LYS A 80 80.480 40.413 -26.938 1.00 0.00 C ATOM 1242 CE LYS A 80 81.329 39.268 -27.469 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.706 38.620 -28.656 1.00 0.00 N ATOM 0 H LYS A 80 78.309 44.331 -27.022 1.00 0.00 H new ATOM 0 HA LYS A 80 80.147 43.338 -25.196 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.305 42.498 -27.540 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.650 43.422 -28.177 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.000 41.683 -27.765 1.00 0.00 H new ATOM 0 HG3 LYS A 80 81.734 41.910 -26.048 1.00 0.00 H new ATOM 0 HD2 LYS A 80 80.189 40.204 -25.909 1.00 0.00 H new ATOM 0 HD3 LYS A 80 79.562 40.487 -27.521 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.317 39.642 -27.736 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.471 38.526 -26.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 81.315 37.845 -28.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.774 38.240 -28.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 80.594 39.322 -29.415 1.00 0.00 H new ATOM 1257 N GLU A 81 81.209 45.957 -26.837 1.00 0.00 N ATOM 1258 CA GLU A 81 82.275 46.950 -26.911 1.00 0.00 C ATOM 1259 C GLU A 81 82.368 47.746 -25.612 1.00 0.00 C ATOM 1260 O GLU A 81 83.444 47.878 -25.028 1.00 0.00 O ATOM 1261 CB GLU A 81 82.037 47.899 -28.087 1.00 0.00 C ATOM 1262 CG GLU A 81 81.924 47.191 -29.427 1.00 0.00 C ATOM 1263 CD GLU A 81 82.449 48.030 -30.576 1.00 0.00 C ATOM 1264 OE1 GLU A 81 82.486 49.270 -30.436 1.00 0.00 O ATOM 1265 OE2 GLU A 81 82.822 47.446 -31.615 1.00 0.00 O ATOM 0 H GLU A 81 80.370 46.198 -27.364 1.00 0.00 H new ATOM 0 HA GLU A 81 83.217 46.424 -27.063 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.123 48.466 -27.907 1.00 0.00 H new ATOM 0 HB3 GLU A 81 82.854 48.619 -28.134 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.476 46.252 -29.385 1.00 0.00 H new ATOM 0 HG3 GLU A 81 80.880 46.939 -29.614 1.00 0.00 H new ATOM 1272 N ASP A 82 81.234 48.275 -25.166 1.00 0.00 N ATOM 1273 CA ASP A 82 81.186 49.057 -23.937 1.00 0.00 C ATOM 1274 C ASP A 82 81.672 48.233 -22.749 1.00 0.00 C ATOM 1275 O ASP A 82 82.374 48.740 -21.874 1.00 0.00 O ATOM 1276 CB ASP A 82 79.763 49.557 -23.680 1.00 0.00 C ATOM 1277 CG ASP A 82 79.167 50.252 -24.887 1.00 0.00 C ATOM 1278 OD1 ASP A 82 79.940 50.652 -25.783 1.00 0.00 O ATOM 1279 OD2 ASP A 82 77.927 50.399 -24.936 1.00 0.00 O ATOM 0 H ASP A 82 80.335 48.176 -25.638 1.00 0.00 H new ATOM 0 HA ASP A 82 81.848 49.915 -24.056 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.130 48.715 -23.400 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.770 50.245 -22.835 1.00 0.00 H new ATOM 1284 N PHE A 83 81.292 46.960 -22.724 1.00 0.00 N ATOM 1285 CA PHE A 83 81.687 46.065 -21.642 1.00 0.00 C ATOM 1286 C PHE A 83 83.161 45.689 -21.758 1.00 0.00 C ATOM 1287 O PHE A 83 83.843 45.486 -20.752 1.00 0.00 O ATOM 1288 CB PHE A 83 80.824 44.802 -21.656 1.00 0.00 C ATOM 1289 CG PHE A 83 79.606 44.898 -20.782 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.727 45.189 -19.433 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.341 44.696 -21.309 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.608 45.279 -18.626 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.219 44.784 -20.507 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.352 45.075 -19.164 1.00 0.00 C ATOM 0 H PHE A 83 80.711 46.525 -23.440 1.00 0.00 H new ATOM 0 HA PHE A 83 81.537 46.589 -20.698 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.511 44.597 -22.680 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.428 43.955 -21.331 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.707 45.347 -19.007 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.230 44.467 -22.359 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.716 45.509 -17.576 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.238 44.625 -20.931 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.476 45.143 -18.536 1.00 0.00 H new ATOM 1304 N LEU A 84 83.647 45.598 -22.991 1.00 0.00 N ATOM 1305 CA LEU A 84 85.040 45.246 -23.240 1.00 0.00 C ATOM 1306 C LEU A 84 85.982 46.239 -22.566 1.00 0.00 C ATOM 1307 O LEU A 84 87.093 45.886 -22.171 1.00 0.00 O ATOM 1308 CB LEU A 84 85.315 45.206 -24.744 1.00 0.00 C ATOM 1309 CG LEU A 84 85.268 43.824 -25.398 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.201 43.953 -26.912 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.475 42.996 -24.984 1.00 0.00 C ATOM 0 H LEU A 84 83.097 45.763 -23.834 1.00 0.00 H new ATOM 0 HA LEU A 84 85.220 44.258 -22.817 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.588 45.847 -25.243 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.299 45.638 -24.925 1.00 0.00 H new ATOM 0 HG LEU A 84 84.368 43.312 -25.057 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.168 42.960 -27.361 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.305 44.507 -27.191 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.082 44.485 -27.271 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.424 42.016 -25.459 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.388 43.503 -25.295 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.479 42.874 -23.901 1.00 0.00 H new ATOM 1323 N ARG A 85 85.529 47.482 -22.437 1.00 0.00 N ATOM 1324 CA ARG A 85 86.330 48.526 -21.810 1.00 0.00 C ATOM 1325 C ARG A 85 86.369 48.346 -20.295 1.00 0.00 C ATOM 1326 O ARG A 85 87.315 48.770 -19.633 1.00 0.00 O ATOM 1327 CB ARG A 85 85.769 49.907 -22.156 1.00 0.00 C ATOM 1328 CG ARG A 85 85.790 50.217 -23.644 1.00 0.00 C ATOM 1329 CD ARG A 85 85.082 51.528 -23.949 1.00 0.00 C ATOM 1330 NE ARG A 85 84.863 51.711 -25.381 1.00 0.00 N ATOM 1331 CZ ARG A 85 84.272 52.780 -25.904 1.00 0.00 C ATOM 1332 NH1 ARG A 85 83.844 53.756 -25.115 1.00 0.00 N ATOM 1333 NH2 ARG A 85 84.109 52.874 -27.217 1.00 0.00 N ATOM 0 H ARG A 85 84.611 47.790 -22.758 1.00 0.00 H new ATOM 0 HA ARG A 85 87.347 48.448 -22.194 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.743 49.974 -21.794 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.344 50.667 -21.627 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.822 50.270 -23.991 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.310 49.407 -24.193 1.00 0.00 H new ATOM 0 HD2 ARG A 85 84.124 51.552 -23.430 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.674 52.358 -23.564 1.00 0.00 H new ATOM 0 HE ARG A 85 85.181 50.978 -26.015 1.00 0.00 H new ATOM 0 HH11 ARG A 85 83.968 53.687 -24.105 1.00 0.00 H new ATOM 0 HH12 ARG A 85 83.391 54.576 -25.518 1.00 0.00 H new ATOM 0 HH21 ARG A 85 84.437 52.125 -27.827 1.00 0.00 H new ATOM 0 HH22 ARG A 85 83.655 53.695 -27.617 1.00 0.00 H new ATOM 1347 N ALA A 86 85.333 47.714 -19.753 1.00 0.00 N ATOM 1348 CA ALA A 86 85.249 47.476 -18.317 1.00 0.00 C ATOM 1349 C ALA A 86 85.934 46.169 -17.936 1.00 0.00 C ATOM 1350 O ALA A 86 86.553 46.065 -16.877 1.00 0.00 O ATOM 1351 CB ALA A 86 83.795 47.462 -17.869 1.00 0.00 C ATOM 0 H ALA A 86 84.540 47.358 -20.287 1.00 0.00 H new ATOM 0 HA ALA A 86 85.767 48.289 -17.808 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.747 47.283 -16.795 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.334 48.423 -18.098 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.260 46.670 -18.393 1.00 0.00 H new ATOM 1357 N THR A 87 85.821 45.170 -18.807 1.00 0.00 N ATOM 1358 CA THR A 87 86.428 43.869 -18.561 1.00 0.00 C ATOM 1359 C THR A 87 86.799 43.179 -19.869 1.00 0.00 C ATOM 1360 O THR A 87 86.476 43.665 -20.953 1.00 0.00 O ATOM 1361 CB THR A 87 85.485 42.951 -17.760 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.182 41.770 -17.351 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.269 42.567 -18.590 1.00 0.00 C ATOM 0 H THR A 87 85.314 45.238 -19.689 1.00 0.00 H new ATOM 0 HA THR A 87 87.331 44.048 -17.978 1.00 0.00 H new ATOM 0 HB THR A 87 85.146 43.496 -16.879 1.00 0.00 H new ATOM 0 HG1 THR A 87 85.908 41.526 -16.442 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.618 41.919 -18.003 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.724 43.467 -18.875 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.593 42.040 -19.487 1.00 0.00 H new ATOM 1371 N THR A 88 87.479 42.042 -19.761 1.00 0.00 N ATOM 1372 CA THR A 88 87.894 41.285 -20.935 1.00 0.00 C ATOM 1373 C THR A 88 86.692 40.686 -21.656 1.00 0.00 C ATOM 1374 O THR A 88 85.567 40.740 -21.160 1.00 0.00 O ATOM 1375 CB THR A 88 88.869 40.154 -20.558 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.300 39.339 -19.527 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.200 40.720 -20.087 1.00 0.00 C ATOM 0 H THR A 88 87.754 41.625 -18.872 1.00 0.00 H new ATOM 0 HA THR A 88 88.401 41.985 -21.600 1.00 0.00 H new ATOM 0 HB THR A 88 89.045 39.546 -21.446 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.926 38.622 -19.294 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.872 39.902 -19.827 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.645 41.315 -20.885 1.00 0.00 H new ATOM 0 HG23 THR A 88 90.038 41.349 -19.212 1.00 0.00 H new ATOM 1385 N LEU A 89 86.938 40.113 -22.830 1.00 0.00 N ATOM 1386 CA LEU A 89 85.875 39.502 -23.620 1.00 0.00 C ATOM 1387 C LEU A 89 85.275 38.304 -22.891 1.00 0.00 C ATOM 1388 O LEU A 89 84.055 38.138 -22.848 1.00 0.00 O ATOM 1389 CB LEU A 89 86.413 39.066 -24.984 1.00 0.00 C ATOM 1390 CG LEU A 89 85.409 39.083 -26.138 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.222 38.186 -25.826 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.946 40.505 -26.421 1.00 0.00 C ATOM 0 H LEU A 89 87.864 40.059 -23.255 1.00 0.00 H new ATOM 0 HA LEU A 89 85.091 40.245 -23.766 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.249 39.714 -25.247 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.811 38.055 -24.889 1.00 0.00 H new ATOM 0 HG LEU A 89 85.903 38.699 -27.030 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.519 38.211 -26.658 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.568 37.164 -25.674 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.727 38.539 -24.922 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.232 40.498 -27.245 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.469 40.916 -25.531 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.804 41.120 -26.690 1.00 0.00 H new ATOM 1404 N TYR A 90 86.138 37.473 -22.319 1.00 0.00 N ATOM 1405 CA TYR A 90 85.694 36.290 -21.592 1.00 0.00 C ATOM 1406 C TYR A 90 84.690 36.663 -20.506 1.00 0.00 C ATOM 1407 O TYR A 90 83.728 35.937 -20.258 1.00 0.00 O ATOM 1408 CB TYR A 90 86.890 35.568 -20.970 1.00 0.00 C ATOM 1409 CG TYR A 90 86.505 34.373 -20.126 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.391 33.109 -20.690 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.257 34.510 -18.766 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.038 32.015 -19.923 1.00 0.00 C ATOM 1413 CE2 TYR A 90 85.906 33.421 -17.991 1.00 0.00 C ATOM 1414 CZ TYR A 90 85.797 32.176 -18.574 1.00 0.00 C ATOM 1415 OH TYR A 90 85.448 31.089 -17.807 1.00 0.00 O ATOM 0 H TYR A 90 87.150 37.597 -22.345 1.00 0.00 H new ATOM 0 HA TYR A 90 85.204 35.622 -22.301 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.559 35.240 -21.765 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.449 36.273 -20.354 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.581 32.979 -21.745 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.340 35.484 -18.307 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.951 31.039 -20.377 1.00 0.00 H new ATOM 0 HE2 TYR A 90 85.718 33.544 -16.935 1.00 0.00 H new ATOM 0 HH TYR A 90 85.315 31.373 -16.879 1.00 0.00 H new ATOM 1425 N ASN A 91 84.922 37.802 -19.861 1.00 0.00 N ATOM 1426 CA ASN A 91 84.038 38.274 -18.801 1.00 0.00 C ATOM 1427 C ASN A 91 82.824 38.991 -19.384 1.00 0.00 C ATOM 1428 O ASN A 91 81.714 38.882 -18.862 1.00 0.00 O ATOM 1429 CB ASN A 91 84.795 39.211 -17.858 1.00 0.00 C ATOM 1430 CG ASN A 91 85.651 38.458 -16.858 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.327 37.336 -16.467 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.752 39.072 -16.440 1.00 0.00 N ATOM 0 H ASN A 91 85.714 38.415 -20.054 1.00 0.00 H new ATOM 0 HA ASN A 91 83.690 37.408 -18.239 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.427 39.878 -18.444 1.00 0.00 H new ATOM 0 HB3 ASN A 91 84.081 39.837 -17.322 1.00 0.00 H new ATOM 0 HD21 ASN A 91 87.368 38.614 -15.768 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.982 40.002 -16.791 1.00 0.00 H new ATOM 1439 N THR A 92 83.043 39.726 -20.469 1.00 0.00 N ATOM 1440 CA THR A 92 81.968 40.463 -21.123 1.00 0.00 C ATOM 1441 C THR A 92 80.838 39.529 -21.542 1.00 0.00 C ATOM 1442 O THR A 92 79.663 39.877 -21.434 1.00 0.00 O ATOM 1443 CB THR A 92 82.480 41.220 -22.364 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.493 42.157 -21.982 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.341 41.950 -23.059 1.00 0.00 C ATOM 0 H THR A 92 83.955 39.827 -20.914 1.00 0.00 H new ATOM 0 HA THR A 92 81.591 41.183 -20.397 1.00 0.00 H new ATOM 0 HB THR A 92 82.902 40.494 -23.059 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.285 41.673 -21.667 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.726 42.477 -23.932 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.586 41.230 -23.374 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.894 42.667 -22.370 1.00 0.00 H new ATOM 1453 N GLU A 93 81.202 38.343 -22.019 1.00 0.00 N ATOM 1454 CA GLU A 93 80.216 37.360 -22.453 1.00 0.00 C ATOM 1455 C GLU A 93 79.458 36.786 -21.260 1.00 0.00 C ATOM 1456 O GLU A 93 78.292 36.409 -21.374 1.00 0.00 O ATOM 1457 CB GLU A 93 80.897 36.231 -23.230 1.00 0.00 C ATOM 1458 CG GLU A 93 81.537 36.688 -24.530 1.00 0.00 C ATOM 1459 CD GLU A 93 81.219 35.766 -25.692 1.00 0.00 C ATOM 1460 OE1 GLU A 93 81.881 34.713 -25.812 1.00 0.00 O ATOM 1461 OE2 GLU A 93 80.310 36.097 -26.481 1.00 0.00 O ATOM 0 H GLU A 93 82.171 38.040 -22.115 1.00 0.00 H new ATOM 0 HA GLU A 93 79.503 37.863 -23.106 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.661 35.776 -22.599 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.162 35.457 -23.449 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.193 37.695 -24.766 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.618 36.742 -24.399 1.00 0.00 H new ATOM 1468 N VAL A 94 80.130 36.721 -20.115 1.00 0.00 N ATOM 1469 CA VAL A 94 79.521 36.194 -18.900 1.00 0.00 C ATOM 1470 C VAL A 94 78.498 37.170 -18.329 1.00 0.00 C ATOM 1471 O VAL A 94 77.568 36.771 -17.627 1.00 0.00 O ATOM 1472 CB VAL A 94 80.582 35.893 -17.825 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.929 35.328 -16.573 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.632 34.935 -18.367 1.00 0.00 C ATOM 0 H VAL A 94 81.097 37.027 -20.004 1.00 0.00 H new ATOM 0 HA VAL A 94 79.019 35.266 -19.175 1.00 0.00 H new ATOM 0 HB VAL A 94 81.078 36.826 -17.557 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.694 35.122 -15.825 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.218 36.052 -16.175 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.406 34.405 -16.821 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.374 34.733 -17.594 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.154 34.001 -18.664 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.121 35.383 -19.232 1.00 0.00 H new ATOM 1484 N LEU A 95 78.675 38.450 -18.636 1.00 0.00 N ATOM 1485 CA LEU A 95 77.767 39.485 -18.154 1.00 0.00 C ATOM 1486 C LEU A 95 76.603 39.680 -19.120 1.00 0.00 C ATOM 1487 O LEU A 95 75.439 39.539 -18.743 1.00 0.00 O ATOM 1488 CB LEU A 95 78.518 40.805 -17.969 1.00 0.00 C ATOM 1489 CG LEU A 95 79.745 40.757 -17.058 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.613 41.989 -17.266 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.323 40.640 -15.601 1.00 0.00 C ATOM 0 H LEU A 95 79.439 38.796 -19.216 1.00 0.00 H new ATOM 0 HA LEU A 95 77.367 39.164 -17.192 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.832 41.162 -18.950 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.822 41.543 -17.569 1.00 0.00 H new ATOM 0 HG LEU A 95 80.332 39.876 -17.317 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.481 41.937 -16.609 1.00 0.00 H new ATOM 0 HD12 LEU A 95 80.945 42.030 -18.304 1.00 0.00 H new ATOM 0 HD13 LEU A 95 80.036 42.884 -17.034 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.209 40.607 -14.967 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.714 41.502 -15.328 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.744 39.727 -15.462 1.00 0.00 H new ATOM 1503 N LEU A 96 76.924 40.004 -20.368 1.00 0.00 N ATOM 1504 CA LEU A 96 75.905 40.216 -21.390 1.00 0.00 C ATOM 1505 C LEU A 96 74.943 39.034 -21.453 1.00 0.00 C ATOM 1506 O LEU A 96 73.725 39.210 -21.423 1.00 0.00 O ATOM 1507 CB LEU A 96 76.560 40.429 -22.755 1.00 0.00 C ATOM 1508 CG LEU A 96 76.287 41.774 -23.429 1.00 0.00 C ATOM 1509 CD1 LEU A 96 77.376 42.095 -24.441 1.00 0.00 C ATOM 1510 CD2 LEU A 96 74.920 41.768 -24.097 1.00 0.00 C ATOM 0 H LEU A 96 77.882 40.126 -20.696 1.00 0.00 H new ATOM 0 HA LEU A 96 75.338 41.108 -21.123 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.638 40.315 -22.640 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.225 39.636 -23.424 1.00 0.00 H new ATOM 0 HG LEU A 96 76.291 42.550 -22.663 1.00 0.00 H new ATOM 0 HD11 LEU A 96 77.165 43.056 -24.910 1.00 0.00 H new ATOM 0 HD12 LEU A 96 78.340 42.143 -23.935 1.00 0.00 H new ATOM 0 HD13 LEU A 96 77.405 41.317 -25.204 1.00 0.00 H new ATOM 0 HD21 LEU A 96 74.743 42.733 -24.572 1.00 0.00 H new ATOM 0 HD22 LEU A 96 74.887 40.981 -24.851 1.00 0.00 H new ATOM 0 HD23 LEU A 96 74.150 41.585 -23.348 1.00 0.00 H new ATOM 1522 N SER A 97 75.498 37.830 -21.539 1.00 0.00 N ATOM 1523 CA SER A 97 74.690 36.618 -21.608 1.00 0.00 C ATOM 1524 C SER A 97 73.685 36.570 -20.461 1.00 0.00 C ATOM 1525 O SER A 97 72.485 36.396 -20.678 1.00 0.00 O ATOM 1526 CB SER A 97 75.585 35.379 -21.570 1.00 0.00 C ATOM 1527 OG SER A 97 74.831 34.197 -21.777 1.00 0.00 O ATOM 0 H SER A 97 76.505 37.667 -21.563 1.00 0.00 H new ATOM 0 HA SER A 97 74.141 36.630 -22.549 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.356 35.460 -22.336 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.095 35.325 -20.608 1.00 0.00 H new ATOM 0 HG SER A 97 75.427 33.420 -21.749 1.00 0.00 H new ATOM 1533 N HIS A 98 74.184 36.724 -19.239 1.00 0.00 N ATOM 1534 CA HIS A 98 73.331 36.698 -18.056 1.00 0.00 C ATOM 1535 C HIS A 98 72.243 37.764 -18.147 1.00 0.00 C ATOM 1536 O HIS A 98 71.064 37.484 -17.927 1.00 0.00 O ATOM 1537 CB HIS A 98 74.167 36.913 -16.794 1.00 0.00 C ATOM 1538 CG HIS A 98 73.523 36.379 -15.551 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.174 36.500 -15.291 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.051 35.718 -14.495 1.00 0.00 C ATOM 1541 CE1 HIS A 98 71.900 35.937 -14.128 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.022 35.455 -13.624 1.00 0.00 N ATOM 0 H HIS A 98 75.174 36.868 -19.042 1.00 0.00 H new ATOM 0 HA HIS A 98 72.853 35.720 -18.004 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.137 36.434 -16.925 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.352 37.980 -16.668 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.088 35.448 -14.362 1.00 0.00 H new ATOM 0 HE1 HIS A 98 70.925 35.880 -13.667 1.00 0.00 H new ATOM 0 HE2 HIS A 98 73.110 34.967 -12.733 1.00 0.00 H new ATOM 1550 N LEU A 99 72.646 38.987 -18.473 1.00 0.00 N ATOM 1551 CA LEU A 99 71.706 40.096 -18.593 1.00 0.00 C ATOM 1552 C LEU A 99 70.684 39.827 -19.693 1.00 0.00 C ATOM 1553 O LEU A 99 69.569 40.347 -19.659 1.00 0.00 O ATOM 1554 CB LEU A 99 72.456 41.397 -18.885 1.00 0.00 C ATOM 1555 CG LEU A 99 72.529 42.402 -17.734 1.00 0.00 C ATOM 1556 CD1 LEU A 99 73.061 41.734 -16.476 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.399 43.590 -18.119 1.00 0.00 C ATOM 0 H LEU A 99 73.618 39.236 -18.659 1.00 0.00 H new ATOM 0 HA LEU A 99 71.176 40.194 -17.646 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.473 41.147 -19.188 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.981 41.884 -19.737 1.00 0.00 H new ATOM 0 HG LEU A 99 71.522 42.766 -17.529 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.106 42.464 -15.668 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.399 40.917 -16.190 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.060 41.342 -16.667 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.440 44.295 -17.289 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.406 43.243 -18.351 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.975 44.083 -18.993 1.00 0.00 H new ATOM 1569 N SER A 100 71.072 39.010 -20.667 1.00 0.00 N ATOM 1570 CA SER A 100 70.190 38.672 -21.778 1.00 0.00 C ATOM 1571 C SER A 100 69.284 37.500 -21.416 1.00 0.00 C ATOM 1572 O SER A 100 68.185 37.361 -21.954 1.00 0.00 O ATOM 1573 CB SER A 100 71.011 38.331 -23.023 1.00 0.00 C ATOM 1574 OG SER A 100 70.179 38.195 -24.162 1.00 0.00 O ATOM 0 H SER A 100 71.991 38.570 -20.709 1.00 0.00 H new ATOM 0 HA SER A 100 69.565 39.539 -21.990 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.750 39.112 -23.200 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.560 37.404 -22.857 1.00 0.00 H new ATOM 0 HG SER A 100 70.728 37.979 -24.944 1.00 0.00 H new ATOM 1580 N TYR A 101 69.752 36.660 -20.500 1.00 0.00 N ATOM 1581 CA TYR A 101 68.986 35.497 -20.066 1.00 0.00 C ATOM 1582 C TYR A 101 67.652 35.920 -19.458 1.00 0.00 C ATOM 1583 O TYR A 101 66.621 35.286 -19.690 1.00 0.00 O ATOM 1584 CB TYR A 101 69.787 34.682 -19.050 1.00 0.00 C ATOM 1585 CG TYR A 101 69.008 33.538 -18.442 1.00 0.00 C ATOM 1586 CD1 TYR A 101 68.900 32.318 -19.098 1.00 0.00 C ATOM 1587 CD2 TYR A 101 68.380 33.676 -17.210 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.188 31.271 -18.547 1.00 0.00 C ATOM 1589 CE2 TYR A 101 67.668 32.634 -16.650 1.00 0.00 C ATOM 1590 CZ TYR A 101 67.574 31.433 -17.322 1.00 0.00 C ATOM 1591 OH TYR A 101 66.866 30.391 -16.769 1.00 0.00 O ATOM 0 H TYR A 101 70.658 36.762 -20.043 1.00 0.00 H new ATOM 0 HA TYR A 101 68.786 34.878 -20.941 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.678 34.286 -19.537 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.127 35.343 -18.253 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.381 32.186 -20.056 1.00 0.00 H new ATOM 0 HD2 TYR A 101 68.450 34.615 -16.681 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.112 30.330 -19.072 1.00 0.00 H new ATOM 0 HE2 TYR A 101 67.187 32.759 -15.691 1.00 0.00 H new ATOM 0 HH TYR A 101 66.497 30.668 -15.904 1.00 0.00 H new ATOM 1601 N LEU A 102 67.679 36.995 -18.678 1.00 0.00 N ATOM 1602 CA LEU A 102 66.473 37.505 -18.035 1.00 0.00 C ATOM 1603 C LEU A 102 65.455 37.963 -19.074 1.00 0.00 C ATOM 1604 O LEU A 102 64.249 37.794 -18.893 1.00 0.00 O ATOM 1605 CB LEU A 102 66.821 38.664 -17.099 1.00 0.00 C ATOM 1606 CG LEU A 102 67.980 38.420 -16.132 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.346 39.705 -15.404 1.00 0.00 C ATOM 1608 CD2 LEU A 102 67.623 37.325 -15.137 1.00 0.00 C ATOM 0 H LEU A 102 68.523 37.531 -18.475 1.00 0.00 H new ATOM 0 HA LEU A 102 66.032 36.696 -17.452 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.059 39.537 -17.707 1.00 0.00 H new ATOM 0 HB3 LEU A 102 65.934 38.913 -16.516 1.00 0.00 H new ATOM 0 HG LEU A 102 68.846 38.092 -16.707 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.173 39.513 -14.720 1.00 0.00 H new ATOM 0 HD12 LEU A 102 68.644 40.462 -16.129 1.00 0.00 H new ATOM 0 HD13 LEU A 102 67.484 40.062 -14.840 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.459 37.165 -14.457 1.00 0.00 H new ATOM 0 HD22 LEU A 102 66.744 37.624 -14.567 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.410 36.401 -15.674 1.00 0.00 H new