USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=16 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 71:sc= 0.0475 USER MOD Set 1.2: A 91 ASN : amide:sc= -1.11! C(o=-1.1!,f=-5.2!) USER MOD Set 2.1: A 57 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 98 HIS : no HD1:sc= -0.371 K(o=-0.37,f=-1.1) USER MOD Set 3.1: A 42 THR OG1 : rot -66:sc= 1.42 USER MOD Set 3.2: A 45 HIS : no HD1:sc= 0.355 K(o=0.077,f=-5.5) USER MOD Set 3.3: A 48 GLN : amide:sc= -1.7 K(o=0.077,f=-2!) USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00073 USER MOD Single : A 43 GLN : amide:sc= 0.656 K(o=0.66,f=-5.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -34:sc= 0.379 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00712 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0397 USER MOD Single : A 68 GLN : amide:sc= -1.33 K(o=-1.3,f=-4.5!) USER MOD Single : A 69 ASN : amide:sc= -0.829 K(o=-0.83,f=-2.9!) USER MOD Single : A 70 MET CE :methyl -112:sc= -0.1 (180deg=-0.191) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -28:sc= 0.85 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -168:sc= -1.81 (180deg=-1.98) USER MOD Single : A 79 ASN : amide:sc= 0.0715 X(o=0.071,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 82:sc= 1.26 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 65.748 38.616 -5.815 1.00 0.00 N ATOM 460 CA ILE A 33 66.913 38.535 -6.688 1.00 0.00 C ATOM 461 C ILE A 33 66.783 39.491 -7.868 1.00 0.00 C ATOM 462 O ILE A 33 67.774 40.048 -8.342 1.00 0.00 O ATOM 463 CB ILE A 33 67.119 37.105 -7.221 1.00 0.00 C ATOM 464 CG1 ILE A 33 68.393 37.030 -8.064 1.00 0.00 C ATOM 465 CG2 ILE A 33 65.912 36.664 -8.036 1.00 0.00 C ATOM 466 CD1 ILE A 33 68.837 35.615 -8.364 1.00 0.00 C ATOM 0 HA ILE A 33 67.777 38.818 -6.087 1.00 0.00 H new ATOM 0 HB ILE A 33 67.227 36.429 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 33 68.229 37.558 -9.004 1.00 0.00 H new ATOM 0 HG13 ILE A 33 69.196 37.551 -7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 33 66.073 35.651 -8.406 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.022 36.684 -7.407 1.00 0.00 H new ATOM 0 HG23 ILE A 33 65.776 37.341 -8.879 1.00 0.00 H new ATOM 0 HD11 ILE A 33 69.746 35.639 -8.965 1.00 0.00 H new ATOM 0 HD12 ILE A 33 69.034 35.089 -7.429 1.00 0.00 H new ATOM 0 HD13 ILE A 33 68.052 35.096 -8.914 1.00 0.00 H new ATOM 478 N VAL A 34 65.554 39.680 -8.338 1.00 0.00 N ATOM 479 CA VAL A 34 65.293 40.572 -9.462 1.00 0.00 C ATOM 480 C VAL A 34 63.858 41.085 -9.434 1.00 0.00 C ATOM 481 O VAL A 34 62.912 40.344 -9.166 1.00 0.00 O ATOM 482 CB VAL A 34 65.550 39.868 -10.808 1.00 0.00 C ATOM 483 CG1 VAL A 34 64.603 40.396 -11.875 1.00 0.00 C ATOM 484 CG2 VAL A 34 66.999 40.047 -11.234 1.00 0.00 C ATOM 0 H VAL A 34 64.723 39.227 -7.958 1.00 0.00 H new ATOM 0 HA VAL A 34 65.978 41.414 -9.365 1.00 0.00 H new ATOM 0 HB VAL A 34 65.361 38.802 -10.683 1.00 0.00 H new ATOM 0 HG11 VAL A 34 64.799 39.888 -12.819 1.00 0.00 H new ATOM 0 HG12 VAL A 34 63.573 40.212 -11.570 1.00 0.00 H new ATOM 0 HG13 VAL A 34 64.758 41.468 -12.001 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.163 39.543 -12.187 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.218 41.109 -11.343 1.00 0.00 H new ATOM 0 HG23 VAL A 34 67.656 39.617 -10.478 1.00 0.00 H new ATOM 494 N PRO A 35 63.689 42.385 -9.718 1.00 0.00 N ATOM 495 CA PRO A 35 62.372 43.027 -9.733 1.00 0.00 C ATOM 496 C PRO A 35 61.512 42.560 -10.903 1.00 0.00 C ATOM 497 O PRO A 35 60.348 42.203 -10.727 1.00 0.00 O ATOM 498 CB PRO A 35 62.704 44.515 -9.875 1.00 0.00 C ATOM 499 CG PRO A 35 64.037 44.544 -10.539 1.00 0.00 C ATOM 500 CD PRO A 35 64.772 43.328 -10.046 1.00 0.00 C ATOM 0 HA PRO A 35 61.793 42.788 -8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 35 61.953 45.033 -10.472 1.00 0.00 H new ATOM 0 HB3 PRO A 35 62.735 45.008 -8.903 1.00 0.00 H new ATOM 0 HG2 PRO A 35 63.933 44.524 -11.624 1.00 0.00 H new ATOM 0 HG3 PRO A 35 64.579 45.456 -10.287 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.439 42.925 -10.808 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.385 43.555 -9.174 1.00 0.00 H new ATOM 508 N ALA A 36 62.095 42.564 -12.098 1.00 0.00 N ATOM 509 CA ALA A 36 61.383 42.137 -13.296 1.00 0.00 C ATOM 510 C ALA A 36 62.286 42.200 -14.523 1.00 0.00 C ATOM 511 O ALA A 36 62.718 41.170 -15.041 1.00 0.00 O ATOM 512 CB ALA A 36 60.143 42.995 -13.507 1.00 0.00 C ATOM 0 H ALA A 36 63.058 42.858 -12.262 1.00 0.00 H new ATOM 0 HA ALA A 36 61.076 41.101 -13.156 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.621 42.665 -14.405 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.482 42.897 -12.646 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.438 44.038 -13.621 1.00 0.00 H new ATOM 518 N ASP A 37 62.567 43.414 -14.983 1.00 0.00 N ATOM 519 CA ASP A 37 63.420 43.611 -16.150 1.00 0.00 C ATOM 520 C ASP A 37 64.674 44.398 -15.780 1.00 0.00 C ATOM 521 O ASP A 37 64.729 45.080 -14.757 1.00 0.00 O ATOM 522 CB ASP A 37 62.652 44.340 -17.253 1.00 0.00 C ATOM 523 CG ASP A 37 62.314 43.433 -18.420 1.00 0.00 C ATOM 524 OD1 ASP A 37 61.699 42.370 -18.188 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.663 43.786 -19.566 1.00 0.00 O ATOM 0 H ASP A 37 62.217 44.277 -14.566 1.00 0.00 H new ATOM 0 HA ASP A 37 63.723 42.631 -16.517 1.00 0.00 H new ATOM 0 HB2 ASP A 37 61.732 44.753 -16.839 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.246 45.181 -17.610 1.00 0.00 H new ATOM 530 N PRO A 38 65.705 44.302 -16.632 1.00 0.00 N ATOM 531 CA PRO A 38 66.977 44.999 -16.416 1.00 0.00 C ATOM 532 C PRO A 38 66.848 46.508 -16.588 1.00 0.00 C ATOM 533 O PRO A 38 67.729 47.268 -16.182 1.00 0.00 O ATOM 534 CB PRO A 38 67.890 44.413 -17.496 1.00 0.00 C ATOM 535 CG PRO A 38 66.963 43.959 -18.570 1.00 0.00 C ATOM 536 CD PRO A 38 65.710 43.508 -17.872 1.00 0.00 C ATOM 0 HA PRO A 38 67.351 44.860 -15.401 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.592 45.159 -17.868 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.482 43.584 -17.107 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.751 44.767 -19.270 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.403 43.145 -19.147 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.823 43.700 -18.475 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.729 42.438 -17.664 1.00 0.00 H new ATOM 544 N THR A 39 65.745 46.939 -17.192 1.00 0.00 N ATOM 545 CA THR A 39 65.501 48.358 -17.418 1.00 0.00 C ATOM 546 C THR A 39 65.024 49.043 -16.143 1.00 0.00 C ATOM 547 O THR A 39 65.384 50.190 -15.870 1.00 0.00 O ATOM 548 CB THR A 39 64.456 48.578 -18.528 1.00 0.00 C ATOM 549 OG1 THR A 39 63.186 48.063 -18.114 1.00 0.00 O ATOM 550 CG2 THR A 39 64.888 47.900 -19.819 1.00 0.00 C ATOM 0 H THR A 39 65.006 46.325 -17.534 1.00 0.00 H new ATOM 0 HA THR A 39 66.449 48.797 -17.730 1.00 0.00 H new ATOM 0 HB THR A 39 64.371 49.649 -18.710 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.527 48.208 -18.824 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.135 48.069 -20.588 1.00 0.00 H new ATOM 0 HG22 THR A 39 65.841 48.315 -20.147 1.00 0.00 H new ATOM 0 HG23 THR A 39 64.998 46.829 -19.648 1.00 0.00 H new ATOM 558 N LEU A 40 64.213 48.336 -15.364 1.00 0.00 N ATOM 559 CA LEU A 40 63.687 48.877 -14.115 1.00 0.00 C ATOM 560 C LEU A 40 64.527 48.420 -12.927 1.00 0.00 C ATOM 561 O LEU A 40 63.992 48.034 -11.888 1.00 0.00 O ATOM 562 CB LEU A 40 62.232 48.444 -13.922 1.00 0.00 C ATOM 563 CG LEU A 40 61.308 48.642 -15.124 1.00 0.00 C ATOM 564 CD1 LEU A 40 59.958 47.987 -14.873 1.00 0.00 C ATOM 565 CD2 LEU A 40 61.136 50.123 -15.427 1.00 0.00 C ATOM 0 H LEU A 40 63.905 47.387 -15.575 1.00 0.00 H new ATOM 0 HA LEU A 40 63.732 49.965 -14.171 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.221 47.388 -13.651 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.819 48.995 -13.077 1.00 0.00 H new ATOM 0 HG LEU A 40 61.765 48.165 -15.991 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.314 48.138 -15.739 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.097 46.919 -14.706 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.495 48.434 -13.994 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.475 50.244 -16.285 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.702 50.623 -14.561 1.00 0.00 H new ATOM 0 HD23 LEU A 40 62.107 50.564 -15.652 1.00 0.00 H new ATOM 577 N TRP A 41 65.844 48.471 -13.087 1.00 0.00 N ATOM 578 CA TRP A 41 66.759 48.064 -12.026 1.00 0.00 C ATOM 579 C TRP A 41 67.200 49.266 -11.198 1.00 0.00 C ATOM 580 O TRP A 41 67.188 50.401 -11.676 1.00 0.00 O ATOM 581 CB TRP A 41 67.982 47.362 -12.619 1.00 0.00 C ATOM 582 CG TRP A 41 67.882 45.867 -12.586 1.00 0.00 C ATOM 583 CD1 TRP A 41 66.738 45.122 -12.584 1.00 0.00 C ATOM 584 CD2 TRP A 41 68.970 44.937 -12.549 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.048 43.784 -12.547 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.411 43.644 -12.526 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.361 45.070 -12.534 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.196 42.495 -12.488 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.138 43.928 -12.497 1.00 0.00 C ATOM 590 CH2 TRP A 41 70.555 42.654 -12.475 1.00 0.00 C ATOM 0 H TRP A 41 66.303 48.790 -13.940 1.00 0.00 H new ATOM 0 HA TRP A 41 66.232 47.369 -11.373 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.114 47.688 -13.651 1.00 0.00 H new ATOM 0 HB3 TRP A 41 68.872 47.672 -12.070 1.00 0.00 H new ATOM 0 HD1 TRP A 41 65.736 45.525 -12.608 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.373 43.019 -12.537 1.00 0.00 H new ATOM 0 HE3 TRP A 41 70.820 46.047 -12.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 68.748 41.512 -12.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.214 44.019 -12.485 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.190 41.781 -12.447 1.00 0.00 H new ATOM 601 N THR A 42 67.589 49.011 -9.952 1.00 0.00 N ATOM 602 CA THR A 42 68.032 50.072 -9.057 1.00 0.00 C ATOM 603 C THR A 42 69.552 50.091 -8.938 1.00 0.00 C ATOM 604 O THR A 42 70.246 49.344 -9.626 1.00 0.00 O ATOM 605 CB THR A 42 67.421 49.914 -7.652 1.00 0.00 C ATOM 606 OG1 THR A 42 67.963 48.756 -7.009 1.00 0.00 O ATOM 607 CG2 THR A 42 65.906 49.794 -7.732 1.00 0.00 C ATOM 0 H THR A 42 67.606 48.078 -9.540 1.00 0.00 H new ATOM 0 HA THR A 42 67.691 51.013 -9.489 1.00 0.00 H new ATOM 0 HB THR A 42 67.670 50.801 -7.070 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.675 47.951 -7.488 1.00 0.00 H new ATOM 0 HG21 THR A 42 65.496 49.683 -6.728 1.00 0.00 H new ATOM 0 HG22 THR A 42 65.494 50.690 -8.195 1.00 0.00 H new ATOM 0 HG23 THR A 42 65.641 48.922 -8.330 1.00 0.00 H new ATOM 615 N GLN A 43 70.061 50.950 -8.061 1.00 0.00 N ATOM 616 CA GLN A 43 71.500 51.066 -7.853 1.00 0.00 C ATOM 617 C GLN A 43 72.034 49.873 -7.068 1.00 0.00 C ATOM 618 O GLN A 43 73.192 49.487 -7.219 1.00 0.00 O ATOM 619 CB GLN A 43 71.827 52.365 -7.115 1.00 0.00 C ATOM 620 CG GLN A 43 71.179 53.595 -7.731 1.00 0.00 C ATOM 621 CD GLN A 43 69.955 54.056 -6.965 1.00 0.00 C ATOM 622 OE1 GLN A 43 69.041 53.273 -6.703 1.00 0.00 O ATOM 623 NE2 GLN A 43 69.931 55.332 -6.600 1.00 0.00 N ATOM 0 H GLN A 43 69.499 51.575 -7.483 1.00 0.00 H new ATOM 0 HA GLN A 43 71.983 51.080 -8.830 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.504 52.275 -6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 43 72.908 52.503 -7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 43 71.907 54.405 -7.766 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.897 53.375 -8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 43 70.710 55.945 -6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 43 69.133 55.699 -6.081 1.00 0.00 H new ATOM 632 N GLU A 44 71.181 49.293 -6.228 1.00 0.00 N ATOM 633 CA GLU A 44 71.569 48.144 -5.419 1.00 0.00 C ATOM 634 C GLU A 44 71.467 46.852 -6.224 1.00 0.00 C ATOM 635 O GLU A 44 72.316 45.967 -6.108 1.00 0.00 O ATOM 636 CB GLU A 44 70.688 48.051 -4.171 1.00 0.00 C ATOM 637 CG GLU A 44 70.792 49.263 -3.261 1.00 0.00 C ATOM 638 CD GLU A 44 69.471 49.990 -3.104 1.00 0.00 C ATOM 639 OE1 GLU A 44 69.084 50.724 -4.038 1.00 0.00 O ATOM 640 OE2 GLU A 44 68.823 49.825 -2.049 1.00 0.00 O ATOM 0 H GLU A 44 70.218 49.600 -6.091 1.00 0.00 H new ATOM 0 HA GLU A 44 72.607 48.280 -5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.650 47.926 -4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 44 70.964 47.159 -3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 44 71.147 48.947 -2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 44 71.536 49.951 -3.663 1.00 0.00 H new ATOM 647 N HIS A 45 70.423 46.751 -7.040 1.00 0.00 N ATOM 648 CA HIS A 45 70.210 45.567 -7.866 1.00 0.00 C ATOM 649 C HIS A 45 71.420 45.301 -8.757 1.00 0.00 C ATOM 650 O HIS A 45 71.684 44.161 -9.138 1.00 0.00 O ATOM 651 CB HIS A 45 68.957 45.738 -8.725 1.00 0.00 C ATOM 652 CG HIS A 45 67.685 45.433 -7.996 1.00 0.00 C ATOM 653 ND1 HIS A 45 66.692 46.368 -7.790 1.00 0.00 N ATOM 654 CD2 HIS A 45 67.245 44.288 -7.424 1.00 0.00 C ATOM 655 CE1 HIS A 45 65.698 45.812 -7.121 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.008 44.549 -6.887 1.00 0.00 N ATOM 0 H HIS A 45 69.711 47.474 -7.147 1.00 0.00 H new ATOM 0 HA HIS A 45 70.074 44.712 -7.204 1.00 0.00 H new ATOM 0 HB2 HIS A 45 68.917 46.762 -9.095 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.032 45.087 -9.596 1.00 0.00 H new ATOM 0 HD2 HIS A 45 67.769 43.344 -7.395 1.00 0.00 H new ATOM 0 HE1 HIS A 45 64.787 46.306 -6.817 1.00 0.00 H new ATOM 0 HE2 HIS A 45 65.424 43.877 -6.389 1.00 0.00 H new ATOM 664 N VAL A 46 72.151 46.361 -9.086 1.00 0.00 N ATOM 665 CA VAL A 46 73.332 46.242 -9.932 1.00 0.00 C ATOM 666 C VAL A 46 74.524 45.714 -9.140 1.00 0.00 C ATOM 667 O VAL A 46 75.427 45.092 -9.700 1.00 0.00 O ATOM 668 CB VAL A 46 73.709 47.595 -10.564 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.887 47.432 -11.512 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.513 48.197 -11.285 1.00 0.00 C ATOM 0 H VAL A 46 71.946 47.312 -8.779 1.00 0.00 H new ATOM 0 HA VAL A 46 73.084 45.536 -10.725 1.00 0.00 H new ATOM 0 HB VAL A 46 74.006 48.278 -9.768 1.00 0.00 H new ATOM 0 HG11 VAL A 46 75.139 48.398 -11.949 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.746 47.047 -10.962 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.622 46.733 -12.305 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.797 49.153 -11.726 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.183 47.518 -12.072 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.700 48.352 -10.575 1.00 0.00 H new ATOM 680 N ARG A 47 74.519 45.966 -7.835 1.00 0.00 N ATOM 681 CA ARG A 47 75.600 45.516 -6.966 1.00 0.00 C ATOM 682 C ARG A 47 75.457 44.032 -6.644 1.00 0.00 C ATOM 683 O ARG A 47 76.409 43.264 -6.780 1.00 0.00 O ATOM 684 CB ARG A 47 75.614 46.331 -5.672 1.00 0.00 C ATOM 685 CG ARG A 47 76.942 46.280 -4.935 1.00 0.00 C ATOM 686 CD ARG A 47 77.080 47.434 -3.954 1.00 0.00 C ATOM 687 NE ARG A 47 76.072 47.378 -2.898 1.00 0.00 N ATOM 688 CZ ARG A 47 75.946 48.302 -1.953 1.00 0.00 C ATOM 689 NH1 ARG A 47 76.760 49.349 -1.932 1.00 0.00 N ATOM 690 NH2 ARG A 47 75.004 48.181 -1.026 1.00 0.00 N ATOM 0 H ARG A 47 73.779 46.479 -7.356 1.00 0.00 H new ATOM 0 HA ARG A 47 76.543 45.666 -7.492 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.376 47.369 -5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.828 45.964 -5.013 1.00 0.00 H new ATOM 0 HG2 ARG A 47 77.026 45.334 -4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 47 77.760 46.313 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 47 78.074 47.413 -3.508 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.991 48.379 -4.491 1.00 0.00 H new ATOM 0 HE ARG A 47 75.430 46.586 -2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.485 49.446 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 47 76.661 50.057 -1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 47 74.376 47.377 -1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 47 74.908 48.892 -0.300 1.00 0.00 H new ATOM 704 N GLN A 48 74.262 43.636 -6.217 1.00 0.00 N ATOM 705 CA GLN A 48 73.996 42.244 -5.874 1.00 0.00 C ATOM 706 C GLN A 48 74.393 41.317 -7.018 1.00 0.00 C ATOM 707 O GLN A 48 74.937 40.236 -6.793 1.00 0.00 O ATOM 708 CB GLN A 48 72.516 42.054 -5.538 1.00 0.00 C ATOM 709 CG GLN A 48 71.576 42.711 -6.536 1.00 0.00 C ATOM 710 CD GLN A 48 70.121 42.369 -6.280 1.00 0.00 C ATOM 711 OE1 GLN A 48 69.386 43.147 -5.671 1.00 0.00 O ATOM 712 NE2 GLN A 48 69.697 41.200 -6.746 1.00 0.00 N ATOM 0 H GLN A 48 73.463 44.259 -6.100 1.00 0.00 H new ATOM 0 HA GLN A 48 74.595 41.990 -5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.296 40.987 -5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 48 72.322 42.462 -4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 48 71.704 43.793 -6.492 1.00 0.00 H new ATOM 0 HG3 GLN A 48 71.847 42.398 -7.544 1.00 0.00 H new ATOM 0 HE21 GLN A 48 70.341 40.586 -7.245 1.00 0.00 H new ATOM 0 HE22 GLN A 48 68.728 40.916 -6.605 1.00 0.00 H new ATOM 721 N TRP A 49 74.119 41.747 -8.244 1.00 0.00 N ATOM 722 CA TRP A 49 74.447 40.954 -9.423 1.00 0.00 C ATOM 723 C TRP A 49 75.948 40.975 -9.693 1.00 0.00 C ATOM 724 O TRP A 49 76.494 40.050 -10.295 1.00 0.00 O ATOM 725 CB TRP A 49 73.690 41.479 -10.644 1.00 0.00 C ATOM 726 CG TRP A 49 74.095 40.815 -11.925 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.720 39.576 -12.360 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.953 41.355 -12.936 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.295 39.313 -13.581 1.00 0.00 N ATOM 730 CE2 TRP A 49 75.055 40.389 -13.956 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.644 42.561 -13.079 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.821 40.594 -15.101 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.404 42.763 -14.216 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.487 41.783 -15.215 1.00 0.00 C ATOM 0 H TRP A 49 73.671 42.640 -8.448 1.00 0.00 H new ATOM 0 HA TRP A 49 74.145 39.924 -9.232 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.621 41.333 -10.490 1.00 0.00 H new ATOM 0 HB3 TRP A 49 73.856 42.553 -10.731 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.068 38.902 -11.824 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.175 38.455 -14.120 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.585 43.322 -12.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.887 39.840 -15.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.943 43.691 -14.337 1.00 0.00 H new ATOM 0 HH2 TRP A 49 77.089 41.971 -16.092 1.00 0.00 H new ATOM 745 N LEU A 50 76.610 42.036 -9.244 1.00 0.00 N ATOM 746 CA LEU A 50 78.049 42.178 -9.437 1.00 0.00 C ATOM 747 C LEU A 50 78.819 41.316 -8.441 1.00 0.00 C ATOM 748 O LEU A 50 79.657 40.502 -8.828 1.00 0.00 O ATOM 749 CB LEU A 50 78.462 43.643 -9.287 1.00 0.00 C ATOM 750 CG LEU A 50 79.555 44.133 -10.237 1.00 0.00 C ATOM 751 CD1 LEU A 50 78.947 44.634 -11.538 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.384 45.226 -9.578 1.00 0.00 C ATOM 0 H LEU A 50 76.173 42.810 -8.744 1.00 0.00 H new ATOM 0 HA LEU A 50 78.291 41.841 -10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 50 77.579 44.265 -9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 50 78.801 43.801 -8.263 1.00 0.00 H new ATOM 0 HG LEU A 50 80.212 43.294 -10.467 1.00 0.00 H new ATOM 0 HD11 LEU A 50 79.740 44.979 -12.201 1.00 0.00 H new ATOM 0 HD12 LEU A 50 78.398 43.824 -12.019 1.00 0.00 H new ATOM 0 HD13 LEU A 50 78.266 45.459 -11.328 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.157 45.563 -10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 50 79.739 46.065 -9.318 1.00 0.00 H new ATOM 0 HD23 LEU A 50 80.851 44.834 -8.674 1.00 0.00 H new ATOM 764 N GLU A 51 78.527 41.500 -7.157 1.00 0.00 N ATOM 765 CA GLU A 51 79.192 40.738 -6.106 1.00 0.00 C ATOM 766 C GLU A 51 78.884 39.250 -6.236 1.00 0.00 C ATOM 767 O GLU A 51 79.684 38.403 -5.840 1.00 0.00 O ATOM 768 CB GLU A 51 78.758 41.242 -4.728 1.00 0.00 C ATOM 769 CG GLU A 51 79.514 42.476 -4.265 1.00 0.00 C ATOM 770 CD GLU A 51 79.287 42.783 -2.798 1.00 0.00 C ATOM 771 OE1 GLU A 51 79.450 41.864 -1.968 1.00 0.00 O ATOM 772 OE2 GLU A 51 78.945 43.941 -2.479 1.00 0.00 O ATOM 0 H GLU A 51 77.835 42.169 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 51 80.267 40.879 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 51 77.692 41.467 -4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.899 40.445 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.580 42.332 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.205 43.333 -4.864 1.00 0.00 H new ATOM 779 N TRP A 52 77.719 38.939 -6.793 1.00 0.00 N ATOM 780 CA TRP A 52 77.304 37.553 -6.975 1.00 0.00 C ATOM 781 C TRP A 52 78.046 36.911 -8.142 1.00 0.00 C ATOM 782 O TRP A 52 78.719 35.894 -7.977 1.00 0.00 O ATOM 783 CB TRP A 52 75.795 37.477 -7.210 1.00 0.00 C ATOM 784 CG TRP A 52 75.279 36.074 -7.311 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.877 35.272 -6.281 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.110 35.306 -8.508 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.470 34.052 -6.765 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.602 34.049 -8.129 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.337 35.560 -9.864 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.320 33.050 -9.057 1.00 0.00 C ATOM 791 CZ3 TRP A 52 75.057 34.567 -10.783 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.552 33.325 -10.377 1.00 0.00 C ATOM 0 H TRP A 52 77.045 39.628 -7.126 1.00 0.00 H new ATOM 0 HA TRP A 52 77.551 37.004 -6.066 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.282 37.987 -6.395 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.550 38.013 -8.127 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.879 35.555 -5.239 1.00 0.00 H new ATOM 0 HE1 TRP A 52 74.126 33.275 -6.201 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.724 36.515 -10.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.932 32.092 -8.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.231 34.752 -11.833 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.342 32.570 -11.120 1.00 0.00 H new ATOM 803 N ALA A 53 77.919 37.512 -9.320 1.00 0.00 N ATOM 804 CA ALA A 53 78.580 36.999 -10.514 1.00 0.00 C ATOM 805 C ALA A 53 80.070 36.787 -10.268 1.00 0.00 C ATOM 806 O ALA A 53 80.602 35.706 -10.521 1.00 0.00 O ATOM 807 CB ALA A 53 78.366 37.948 -11.684 1.00 0.00 C ATOM 0 H ALA A 53 77.365 38.354 -9.473 1.00 0.00 H new ATOM 0 HA ALA A 53 78.138 36.033 -10.758 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.865 37.553 -12.569 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.299 38.046 -11.882 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.781 38.926 -11.440 1.00 0.00 H new ATOM 813 N ILE A 54 80.737 37.825 -9.776 1.00 0.00 N ATOM 814 CA ILE A 54 82.166 37.751 -9.496 1.00 0.00 C ATOM 815 C ILE A 54 82.479 36.613 -8.530 1.00 0.00 C ATOM 816 O ILE A 54 83.590 36.083 -8.517 1.00 0.00 O ATOM 817 CB ILE A 54 82.692 39.072 -8.904 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.423 40.231 -9.866 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.180 38.961 -8.603 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.536 41.593 -9.218 1.00 0.00 C ATOM 0 H ILE A 54 80.311 38.727 -9.563 1.00 0.00 H new ATOM 0 HA ILE A 54 82.665 37.564 -10.447 1.00 0.00 H new ATOM 0 HB ILE A 54 82.165 39.270 -7.971 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.126 40.173 -10.697 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.423 40.119 -10.286 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.538 39.902 -8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.347 38.158 -7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.722 38.743 -9.523 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.333 42.366 -9.959 1.00 0.00 H new ATOM 0 HD12 ILE A 54 81.814 41.670 -8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.543 41.725 -8.822 1.00 0.00 H new ATOM 832 N LYS A 55 81.491 36.241 -7.724 1.00 0.00 N ATOM 833 CA LYS A 55 81.658 35.163 -6.756 1.00 0.00 C ATOM 834 C LYS A 55 81.418 33.805 -7.407 1.00 0.00 C ATOM 835 O LYS A 55 82.333 32.989 -7.515 1.00 0.00 O ATOM 836 CB LYS A 55 80.697 35.353 -5.580 1.00 0.00 C ATOM 837 CG LYS A 55 81.389 35.754 -4.288 1.00 0.00 C ATOM 838 CD LYS A 55 80.751 35.084 -3.083 1.00 0.00 C ATOM 839 CE LYS A 55 81.572 33.895 -2.608 1.00 0.00 C ATOM 840 NZ LYS A 55 82.629 34.301 -1.641 1.00 0.00 N ATOM 0 H LYS A 55 80.566 36.670 -7.722 1.00 0.00 H new ATOM 0 HA LYS A 55 82.684 35.194 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.963 36.115 -5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.149 34.425 -5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.444 35.484 -4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.343 36.837 -4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 55 80.653 35.807 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.744 34.754 -3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 55 80.914 33.163 -2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.033 33.406 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 83.166 33.462 -1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.272 34.980 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 82.188 34.744 -0.810 1.00 0.00 H new ATOM 854 N GLU A 56 80.184 33.571 -7.840 1.00 0.00 N ATOM 855 CA GLU A 56 79.826 32.311 -8.482 1.00 0.00 C ATOM 856 C GLU A 56 80.785 31.991 -9.625 1.00 0.00 C ATOM 857 O GLU A 56 81.523 31.008 -9.574 1.00 0.00 O ATOM 858 CB GLU A 56 78.390 32.370 -9.007 1.00 0.00 C ATOM 859 CG GLU A 56 77.763 31.002 -9.218 1.00 0.00 C ATOM 860 CD GLU A 56 77.728 30.173 -7.949 1.00 0.00 C ATOM 861 OE1 GLU A 56 76.951 30.522 -7.035 1.00 0.00 O ATOM 862 OE2 GLU A 56 78.477 29.177 -7.869 1.00 0.00 O ATOM 0 H GLU A 56 79.415 34.236 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 56 79.900 31.519 -7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.778 32.936 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.379 32.915 -9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.748 31.126 -9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 56 78.323 30.464 -9.983 1.00 0.00 H new ATOM 869 N TYR A 57 80.766 32.829 -10.656 1.00 0.00 N ATOM 870 CA TYR A 57 81.631 32.635 -11.814 1.00 0.00 C ATOM 871 C TYR A 57 83.101 32.690 -11.411 1.00 0.00 C ATOM 872 O TYR A 57 83.959 32.101 -12.069 1.00 0.00 O ATOM 873 CB TYR A 57 81.342 33.697 -12.876 1.00 0.00 C ATOM 874 CG TYR A 57 79.980 33.556 -13.519 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.786 32.705 -14.600 1.00 0.00 C ATOM 876 CD2 TYR A 57 78.889 34.274 -13.045 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.544 32.574 -15.191 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.643 34.147 -13.629 1.00 0.00 C ATOM 879 CZ TYR A 57 77.476 33.296 -14.702 1.00 0.00 C ATOM 880 OH TYR A 57 76.237 33.169 -15.287 1.00 0.00 O ATOM 0 H TYR A 57 80.161 33.649 -10.713 1.00 0.00 H new ATOM 0 HA TYR A 57 81.423 31.649 -12.230 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.419 34.684 -12.421 1.00 0.00 H new ATOM 0 HB3 TYR A 57 82.107 33.642 -13.650 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.620 32.137 -14.985 1.00 0.00 H new ATOM 0 HD2 TYR A 57 79.017 34.942 -12.206 1.00 0.00 H new ATOM 0 HE1 TYR A 57 78.410 31.909 -16.032 1.00 0.00 H new ATOM 0 HE2 TYR A 57 76.805 34.711 -13.248 1.00 0.00 H new ATOM 0 HH TYR A 57 75.541 33.319 -14.614 1.00 0.00 H new ATOM 890 N SER A 58 83.384 33.400 -10.324 1.00 0.00 N ATOM 891 CA SER A 58 84.751 33.535 -9.834 1.00 0.00 C ATOM 892 C SER A 58 85.626 34.256 -10.855 1.00 0.00 C ATOM 893 O SER A 58 86.671 33.748 -11.263 1.00 0.00 O ATOM 894 CB SER A 58 85.341 32.159 -9.520 1.00 0.00 C ATOM 895 OG SER A 58 84.353 31.287 -8.999 1.00 0.00 O ATOM 0 H SER A 58 82.685 33.891 -9.766 1.00 0.00 H new ATOM 0 HA SER A 58 84.726 34.129 -8.920 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.770 31.729 -10.425 1.00 0.00 H new ATOM 0 HB3 SER A 58 86.154 32.264 -8.801 1.00 0.00 H new ATOM 0 HG SER A 58 83.718 31.799 -8.457 1.00 0.00 H new ATOM 901 N LEU A 59 85.191 35.443 -11.263 1.00 0.00 N ATOM 902 CA LEU A 59 85.934 36.236 -12.237 1.00 0.00 C ATOM 903 C LEU A 59 87.161 36.876 -11.596 1.00 0.00 C ATOM 904 O LEU A 59 87.518 36.558 -10.462 1.00 0.00 O ATOM 905 CB LEU A 59 85.034 37.318 -12.836 1.00 0.00 C ATOM 906 CG LEU A 59 83.662 36.854 -13.327 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.763 38.048 -13.605 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.805 35.990 -14.572 1.00 0.00 C ATOM 0 H LEU A 59 84.328 35.878 -10.935 1.00 0.00 H new ATOM 0 HA LEU A 59 86.269 35.570 -13.032 1.00 0.00 H new ATOM 0 HB2 LEU A 59 84.886 38.095 -12.086 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.560 37.778 -13.672 1.00 0.00 H new ATOM 0 HG LEU A 59 83.201 36.253 -12.543 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.791 37.698 -13.953 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.634 38.627 -12.691 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.219 38.676 -14.371 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.819 35.669 -14.907 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.287 36.567 -15.362 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.412 35.115 -14.340 1.00 0.00 H new ATOM 920 N MET A 60 87.800 37.783 -12.329 1.00 0.00 N ATOM 921 CA MET A 60 88.985 38.471 -11.829 1.00 0.00 C ATOM 922 C MET A 60 89.403 39.590 -12.778 1.00 0.00 C ATOM 923 O MET A 60 89.149 39.524 -13.980 1.00 0.00 O ATOM 924 CB MET A 60 90.137 37.481 -11.649 1.00 0.00 C ATOM 925 CG MET A 60 90.427 36.653 -12.890 1.00 0.00 C ATOM 926 SD MET A 60 91.911 35.643 -12.720 1.00 0.00 S ATOM 927 CE MET A 60 92.432 35.517 -14.429 1.00 0.00 C ATOM 0 H MET A 60 87.517 38.058 -13.270 1.00 0.00 H new ATOM 0 HA MET A 60 88.740 38.911 -10.862 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.037 38.030 -11.370 1.00 0.00 H new ATOM 0 HB3 MET A 60 89.903 36.811 -10.822 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.574 36.007 -13.098 1.00 0.00 H new ATOM 0 HG3 MET A 60 90.540 37.317 -13.747 1.00 0.00 H new ATOM 0 HE1 MET A 60 93.341 34.919 -14.489 1.00 0.00 H new ATOM 0 HE2 MET A 60 91.646 35.041 -15.015 1.00 0.00 H new ATOM 0 HE3 MET A 60 92.626 36.514 -14.825 1.00 0.00 H new ATOM 937 N GLU A 61 90.046 40.616 -12.229 1.00 0.00 N ATOM 938 CA GLU A 61 90.498 41.749 -13.027 1.00 0.00 C ATOM 939 C GLU A 61 89.314 42.484 -13.648 1.00 0.00 C ATOM 940 O GLU A 61 89.317 42.791 -14.841 1.00 0.00 O ATOM 941 CB GLU A 61 91.454 41.278 -14.126 1.00 0.00 C ATOM 942 CG GLU A 61 92.505 40.295 -13.638 1.00 0.00 C ATOM 943 CD GLU A 61 93.500 39.922 -14.719 1.00 0.00 C ATOM 944 OE1 GLU A 61 93.602 40.669 -15.715 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.177 38.883 -14.570 1.00 0.00 O ATOM 0 H GLU A 61 90.265 40.685 -11.235 1.00 0.00 H new ATOM 0 HA GLU A 61 91.025 42.438 -12.367 1.00 0.00 H new ATOM 0 HB2 GLU A 61 90.876 40.812 -14.924 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.953 42.145 -14.558 1.00 0.00 H new ATOM 0 HG2 GLU A 61 93.038 40.729 -12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.013 39.393 -13.275 1.00 0.00 H new ATOM 952 N ILE A 62 88.303 42.761 -12.832 1.00 0.00 N ATOM 953 CA ILE A 62 87.113 43.460 -13.301 1.00 0.00 C ATOM 954 C ILE A 62 86.929 44.785 -12.568 1.00 0.00 C ATOM 955 O ILE A 62 87.213 44.890 -11.375 1.00 0.00 O ATOM 956 CB ILE A 62 85.847 42.603 -13.115 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.656 43.255 -13.820 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.552 42.408 -11.635 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.451 42.347 -13.934 1.00 0.00 C ATOM 0 H ILE A 62 88.284 42.512 -11.843 1.00 0.00 H new ATOM 0 HA ILE A 62 87.258 43.653 -14.364 1.00 0.00 H new ATOM 0 HB ILE A 62 86.019 41.624 -13.563 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.372 44.156 -13.277 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.961 43.567 -14.819 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.654 41.800 -11.520 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.394 41.905 -11.159 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.396 43.379 -11.164 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.645 42.874 -14.444 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.719 41.457 -14.503 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.120 42.055 -12.937 1.00 0.00 H new ATOM 971 N ASP A 63 86.450 45.792 -13.289 1.00 0.00 N ATOM 972 CA ASP A 63 86.224 47.110 -12.707 1.00 0.00 C ATOM 973 C ASP A 63 84.944 47.126 -11.877 1.00 0.00 C ATOM 974 O ASP A 63 83.901 46.637 -12.314 1.00 0.00 O ATOM 975 CB ASP A 63 86.147 48.170 -13.807 1.00 0.00 C ATOM 976 CG ASP A 63 87.505 48.750 -14.148 1.00 0.00 C ATOM 977 OD1 ASP A 63 88.316 48.949 -13.219 1.00 0.00 O ATOM 978 OD2 ASP A 63 87.758 49.006 -15.344 1.00 0.00 O ATOM 0 H ASP A 63 86.210 45.721 -14.278 1.00 0.00 H new ATOM 0 HA ASP A 63 87.064 47.339 -12.051 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.708 47.729 -14.702 1.00 0.00 H new ATOM 0 HB3 ASP A 63 85.482 48.973 -13.488 1.00 0.00 H new ATOM 983 N THR A 64 85.030 47.689 -10.676 1.00 0.00 N ATOM 984 CA THR A 64 83.880 47.767 -9.784 1.00 0.00 C ATOM 985 C THR A 64 83.333 49.188 -9.714 1.00 0.00 C ATOM 986 O THR A 64 82.136 49.393 -9.514 1.00 0.00 O ATOM 987 CB THR A 64 84.240 47.296 -8.362 1.00 0.00 C ATOM 988 OG1 THR A 64 85.662 47.238 -8.210 1.00 0.00 O ATOM 989 CG2 THR A 64 83.638 45.928 -8.077 1.00 0.00 C ATOM 0 H THR A 64 85.885 48.098 -10.298 1.00 0.00 H new ATOM 0 HA THR A 64 83.116 47.107 -10.195 1.00 0.00 H new ATOM 0 HB THR A 64 83.829 48.012 -7.651 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.882 46.939 -7.303 1.00 0.00 H new ATOM 0 HG21 THR A 64 83.905 45.616 -7.067 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.553 45.983 -8.164 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.024 45.204 -8.795 1.00 0.00 H new ATOM 997 N SER A 65 84.218 50.166 -9.879 1.00 0.00 N ATOM 998 CA SER A 65 83.824 51.569 -9.831 1.00 0.00 C ATOM 999 C SER A 65 82.820 51.889 -10.935 1.00 0.00 C ATOM 1000 O SER A 65 81.939 52.732 -10.763 1.00 0.00 O ATOM 1001 CB SER A 65 85.052 52.471 -9.966 1.00 0.00 C ATOM 1002 OG SER A 65 85.969 51.945 -10.910 1.00 0.00 O ATOM 0 H SER A 65 85.212 50.013 -10.047 1.00 0.00 H new ATOM 0 HA SER A 65 83.350 51.755 -8.867 1.00 0.00 H new ATOM 0 HB2 SER A 65 84.742 53.470 -10.273 1.00 0.00 H new ATOM 0 HB3 SER A 65 85.541 52.573 -8.997 1.00 0.00 H new ATOM 0 HG SER A 65 86.744 52.540 -10.980 1.00 0.00 H new ATOM 1008 N PHE A 66 82.960 51.211 -12.069 1.00 0.00 N ATOM 1009 CA PHE A 66 82.067 51.423 -13.202 1.00 0.00 C ATOM 1010 C PHE A 66 80.636 51.031 -12.848 1.00 0.00 C ATOM 1011 O PHE A 66 79.678 51.560 -13.411 1.00 0.00 O ATOM 1012 CB PHE A 66 82.544 50.617 -14.412 1.00 0.00 C ATOM 1013 CG PHE A 66 82.826 51.461 -15.622 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.904 52.331 -15.641 1.00 0.00 C ATOM 1015 CD2 PHE A 66 82.012 51.385 -16.741 1.00 0.00 C ATOM 1016 CE1 PHE A 66 84.164 53.110 -16.752 1.00 0.00 C ATOM 1017 CE2 PHE A 66 82.268 52.161 -17.856 1.00 0.00 C ATOM 1018 CZ PHE A 66 83.346 53.024 -17.862 1.00 0.00 C ATOM 0 H PHE A 66 83.684 50.510 -12.228 1.00 0.00 H new ATOM 0 HA PHE A 66 82.083 52.484 -13.451 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.448 50.071 -14.141 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.787 49.875 -14.665 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.549 52.401 -14.777 1.00 0.00 H new ATOM 0 HD2 PHE A 66 81.168 50.712 -16.742 1.00 0.00 H new ATOM 0 HE1 PHE A 66 85.006 53.786 -16.753 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.626 52.092 -18.721 1.00 0.00 H new ATOM 0 HZ PHE A 66 83.549 53.630 -18.732 1.00 0.00 H new ATOM 1028 N PHE A 67 80.499 50.099 -11.910 1.00 0.00 N ATOM 1029 CA PHE A 67 79.186 49.634 -11.480 1.00 0.00 C ATOM 1030 C PHE A 67 78.916 50.029 -10.031 1.00 0.00 C ATOM 1031 O PHE A 67 78.150 49.369 -9.330 1.00 0.00 O ATOM 1032 CB PHE A 67 79.083 48.115 -11.634 1.00 0.00 C ATOM 1033 CG PHE A 67 79.583 47.612 -12.958 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.813 47.749 -14.102 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.823 47.001 -13.059 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.270 47.287 -15.322 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.286 46.538 -14.276 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.508 46.680 -15.408 1.00 0.00 C ATOM 0 H PHE A 67 81.282 49.651 -11.433 1.00 0.00 H new ATOM 0 HA PHE A 67 78.436 50.108 -12.113 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.650 47.637 -10.835 1.00 0.00 H new ATOM 0 HB3 PHE A 67 78.043 47.815 -11.510 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.844 48.222 -14.040 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.434 46.885 -12.176 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.660 47.400 -16.206 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.255 46.066 -14.342 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.867 46.317 -16.360 1.00 0.00 H new ATOM 1048 N GLN A 68 79.552 51.110 -9.590 1.00 0.00 N ATOM 1049 CA GLN A 68 79.382 51.592 -8.225 1.00 0.00 C ATOM 1050 C GLN A 68 78.003 52.215 -8.035 1.00 0.00 C ATOM 1051 O GLN A 68 77.416 52.130 -6.957 1.00 0.00 O ATOM 1052 CB GLN A 68 80.468 52.614 -7.884 1.00 0.00 C ATOM 1053 CG GLN A 68 80.318 53.932 -8.628 1.00 0.00 C ATOM 1054 CD GLN A 68 79.543 54.965 -7.835 1.00 0.00 C ATOM 1055 OE1 GLN A 68 79.105 54.704 -6.714 1.00 0.00 O ATOM 1056 NE2 GLN A 68 79.370 56.148 -8.413 1.00 0.00 N ATOM 0 H GLN A 68 80.189 51.668 -10.158 1.00 0.00 H new ATOM 0 HA GLN A 68 79.471 50.739 -7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.449 52.808 -6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.444 52.186 -8.114 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.307 54.327 -8.863 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.812 53.754 -9.577 1.00 0.00 H new ATOM 0 HE21 GLN A 68 79.750 56.321 -9.344 1.00 0.00 H new ATOM 0 HE22 GLN A 68 78.857 56.883 -7.926 1.00 0.00 H new ATOM 1065 N ASN A 69 77.492 52.841 -9.091 1.00 0.00 N ATOM 1066 CA ASN A 69 76.181 53.479 -9.040 1.00 0.00 C ATOM 1067 C ASN A 69 75.632 53.706 -10.445 1.00 0.00 C ATOM 1068 O ASN A 69 75.000 54.726 -10.717 1.00 0.00 O ATOM 1069 CB ASN A 69 76.268 54.810 -8.292 1.00 0.00 C ATOM 1070 CG ASN A 69 74.902 55.357 -7.924 1.00 0.00 C ATOM 1071 OD1 ASN A 69 74.138 54.716 -7.202 1.00 0.00 O ATOM 1072 ND2 ASN A 69 74.588 56.548 -8.421 1.00 0.00 N ATOM 0 H ASN A 69 77.965 52.920 -9.991 1.00 0.00 H new ATOM 0 HA ASN A 69 75.501 52.815 -8.507 1.00 0.00 H new ATOM 0 HB2 ASN A 69 76.859 54.676 -7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.793 55.538 -8.911 1.00 0.00 H new ATOM 0 HD21 ASN A 69 73.683 56.967 -8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 69 75.252 57.044 -9.015 1.00 0.00 H new ATOM 1079 N MET A 70 75.878 52.749 -11.333 1.00 0.00 N ATOM 1080 CA MET A 70 75.407 52.844 -12.710 1.00 0.00 C ATOM 1081 C MET A 70 73.934 52.459 -12.808 1.00 0.00 C ATOM 1082 O MET A 70 73.502 51.465 -12.224 1.00 0.00 O ATOM 1083 CB MET A 70 76.243 51.944 -13.621 1.00 0.00 C ATOM 1084 CG MET A 70 75.985 52.170 -15.102 1.00 0.00 C ATOM 1085 SD MET A 70 77.444 52.763 -15.979 1.00 0.00 S ATOM 1086 CE MET A 70 78.230 51.213 -16.414 1.00 0.00 C ATOM 0 H MET A 70 76.401 51.899 -11.124 1.00 0.00 H new ATOM 0 HA MET A 70 75.517 53.879 -13.035 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.300 52.114 -13.415 1.00 0.00 H new ATOM 0 HB3 MET A 70 76.034 50.902 -13.379 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.648 51.237 -15.554 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.177 52.892 -15.220 1.00 0.00 H new ATOM 0 HE1 MET A 70 79.160 51.107 -15.856 1.00 0.00 H new ATOM 0 HE2 MET A 70 77.564 50.386 -16.169 1.00 0.00 H new ATOM 0 HE3 MET A 70 78.445 51.201 -17.483 1.00 0.00 H new ATOM 1096 N ASP A 71 73.168 53.252 -13.549 1.00 0.00 N ATOM 1097 CA ASP A 71 71.744 52.994 -13.725 1.00 0.00 C ATOM 1098 C ASP A 71 71.518 51.697 -14.496 1.00 0.00 C ATOM 1099 O ASP A 71 72.202 51.421 -15.480 1.00 0.00 O ATOM 1100 CB ASP A 71 71.079 54.160 -14.457 1.00 0.00 C ATOM 1101 CG ASP A 71 71.583 55.507 -13.979 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.472 55.786 -12.766 1.00 0.00 O ATOM 1103 OD2 ASP A 71 72.089 56.282 -14.817 1.00 0.00 O ATOM 0 H ASP A 71 73.510 54.079 -14.038 1.00 0.00 H new ATOM 0 HA ASP A 71 71.294 52.892 -12.738 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.263 54.066 -15.527 1.00 0.00 H new ATOM 0 HB3 ASP A 71 70.000 54.107 -14.313 1.00 0.00 H new ATOM 1108 N GLY A 72 70.553 50.904 -14.040 1.00 0.00 N ATOM 1109 CA GLY A 72 70.255 49.645 -14.698 1.00 0.00 C ATOM 1110 C GLY A 72 70.021 49.810 -16.186 1.00 0.00 C ATOM 1111 O GLY A 72 70.320 48.911 -16.973 1.00 0.00 O ATOM 0 H GLY A 72 69.973 51.111 -13.227 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.080 48.951 -14.538 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.371 49.200 -14.241 1.00 0.00 H new ATOM 1115 N LYS A 73 69.483 50.961 -16.575 1.00 0.00 N ATOM 1116 CA LYS A 73 69.208 51.242 -17.979 1.00 0.00 C ATOM 1117 C LYS A 73 70.488 51.185 -18.806 1.00 0.00 C ATOM 1118 O LYS A 73 70.468 50.784 -19.969 1.00 0.00 O ATOM 1119 CB LYS A 73 68.554 52.618 -18.126 1.00 0.00 C ATOM 1120 CG LYS A 73 67.047 52.559 -18.305 1.00 0.00 C ATOM 1121 CD LYS A 73 66.669 52.142 -19.717 1.00 0.00 C ATOM 1122 CE LYS A 73 65.238 52.537 -20.050 1.00 0.00 C ATOM 1123 NZ LYS A 73 65.157 53.923 -20.588 1.00 0.00 N ATOM 0 H LYS A 73 69.229 51.715 -15.937 1.00 0.00 H new ATOM 0 HA LYS A 73 68.523 50.479 -18.349 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.784 53.216 -17.244 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.993 53.130 -18.982 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.622 51.854 -17.590 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.615 53.535 -18.085 1.00 0.00 H new ATOM 0 HD2 LYS A 73 67.351 52.606 -20.430 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.784 51.063 -19.822 1.00 0.00 H new ATOM 0 HE2 LYS A 73 64.829 51.839 -20.781 1.00 0.00 H new ATOM 0 HE3 LYS A 73 64.622 52.458 -19.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 64.166 54.155 -20.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 65.524 54.592 -19.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 65.725 53.992 -21.457 1.00 0.00 H new ATOM 1137 N GLU A 74 71.600 51.587 -18.197 1.00 0.00 N ATOM 1138 CA GLU A 74 72.889 51.581 -18.879 1.00 0.00 C ATOM 1139 C GLU A 74 73.451 50.165 -18.965 1.00 0.00 C ATOM 1140 O GLU A 74 74.064 49.787 -19.965 1.00 0.00 O ATOM 1141 CB GLU A 74 73.880 52.492 -18.152 1.00 0.00 C ATOM 1142 CG GLU A 74 74.024 53.864 -18.788 1.00 0.00 C ATOM 1143 CD GLU A 74 75.082 54.713 -18.110 1.00 0.00 C ATOM 1144 OE1 GLU A 74 74.990 54.902 -16.879 1.00 0.00 O ATOM 1145 OE2 GLU A 74 76.001 55.188 -18.809 1.00 0.00 O ATOM 0 H GLU A 74 71.634 51.921 -17.234 1.00 0.00 H new ATOM 0 HA GLU A 74 72.738 51.956 -19.891 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.559 52.612 -17.117 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.856 52.007 -18.128 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.278 53.747 -19.842 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.066 54.382 -18.746 1.00 0.00 H new ATOM 1152 N LEU A 75 73.240 49.385 -17.910 1.00 0.00 N ATOM 1153 CA LEU A 75 73.725 48.011 -17.865 1.00 0.00 C ATOM 1154 C LEU A 75 73.288 47.237 -19.105 1.00 0.00 C ATOM 1155 O LEU A 75 74.119 46.704 -19.841 1.00 0.00 O ATOM 1156 CB LEU A 75 73.214 47.309 -16.606 1.00 0.00 C ATOM 1157 CG LEU A 75 74.284 46.788 -15.646 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.865 47.928 -14.824 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.706 45.712 -14.737 1.00 0.00 C ATOM 0 H LEU A 75 72.736 49.682 -17.074 1.00 0.00 H new ATOM 0 HA LEU A 75 74.814 48.038 -17.842 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.573 48.003 -16.062 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.588 46.470 -16.911 1.00 0.00 H new ATOM 0 HG LEU A 75 75.088 46.346 -16.234 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.625 47.538 -14.147 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.316 48.664 -15.490 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.071 48.401 -14.245 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.481 45.352 -14.060 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.883 46.129 -14.157 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.339 44.883 -15.342 1.00 0.00 H new ATOM 1171 N CYS A 76 71.980 47.182 -19.330 1.00 0.00 N ATOM 1172 CA CYS A 76 71.432 46.475 -20.482 1.00 0.00 C ATOM 1173 C CYS A 76 71.880 47.129 -21.785 1.00 0.00 C ATOM 1174 O CYS A 76 71.909 46.489 -22.837 1.00 0.00 O ATOM 1175 CB CYS A 76 69.905 46.447 -20.411 1.00 0.00 C ATOM 1176 SG CYS A 76 69.125 48.061 -20.652 1.00 0.00 S ATOM 0 H CYS A 76 71.280 47.618 -18.730 1.00 0.00 H new ATOM 0 HA CYS A 76 71.808 45.452 -20.461 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.529 45.757 -21.167 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.604 46.051 -19.441 1.00 0.00 H new ATOM 0 HG CYS A 76 69.941 48.998 -20.270 1.00 0.00 H new ATOM 1182 N LYS A 77 72.228 48.409 -21.710 1.00 0.00 N ATOM 1183 CA LYS A 77 72.675 49.152 -22.882 1.00 0.00 C ATOM 1184 C LYS A 77 74.123 48.813 -23.222 1.00 0.00 C ATOM 1185 O LYS A 77 74.535 48.900 -24.378 1.00 0.00 O ATOM 1186 CB LYS A 77 72.535 50.657 -22.642 1.00 0.00 C ATOM 1187 CG LYS A 77 73.293 51.506 -23.647 1.00 0.00 C ATOM 1188 CD LYS A 77 72.665 52.881 -23.802 1.00 0.00 C ATOM 1189 CE LYS A 77 71.751 52.943 -25.015 1.00 0.00 C ATOM 1190 NZ LYS A 77 72.471 53.420 -26.228 1.00 0.00 N ATOM 0 H LYS A 77 72.209 48.954 -20.848 1.00 0.00 H new ATOM 0 HA LYS A 77 72.046 48.865 -23.724 1.00 0.00 H new ATOM 0 HB2 LYS A 77 71.479 50.925 -22.676 1.00 0.00 H new ATOM 0 HB3 LYS A 77 72.892 50.891 -21.639 1.00 0.00 H new ATOM 0 HG2 LYS A 77 74.329 51.612 -23.326 1.00 0.00 H new ATOM 0 HG3 LYS A 77 73.308 51.001 -24.613 1.00 0.00 H new ATOM 0 HD2 LYS A 77 72.097 53.126 -22.904 1.00 0.00 H new ATOM 0 HD3 LYS A 77 73.449 53.632 -23.898 1.00 0.00 H new ATOM 0 HE2 LYS A 77 71.333 51.954 -25.206 1.00 0.00 H new ATOM 0 HE3 LYS A 77 70.913 53.608 -24.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 71.814 53.448 -27.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 72.848 54.374 -26.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 73.255 52.772 -26.444 1.00 0.00 H new ATOM 1204 N MET A 78 74.889 48.425 -22.207 1.00 0.00 N ATOM 1205 CA MET A 78 76.290 48.071 -22.400 1.00 0.00 C ATOM 1206 C MET A 78 76.425 46.884 -23.349 1.00 0.00 C ATOM 1207 O MET A 78 75.992 45.776 -23.037 1.00 0.00 O ATOM 1208 CB MET A 78 76.945 47.741 -21.057 1.00 0.00 C ATOM 1209 CG MET A 78 77.233 48.967 -20.205 1.00 0.00 C ATOM 1210 SD MET A 78 78.406 48.629 -18.878 1.00 0.00 S ATOM 1211 CE MET A 78 79.940 48.532 -19.798 1.00 0.00 C ATOM 0 H MET A 78 74.563 48.348 -21.244 1.00 0.00 H new ATOM 0 HA MET A 78 76.797 48.928 -22.843 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.294 47.066 -20.501 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.878 47.207 -21.238 1.00 0.00 H new ATOM 0 HG2 MET A 78 77.627 49.761 -20.839 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.301 49.334 -19.776 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.722 48.121 -19.159 1.00 0.00 H new ATOM 0 HE2 MET A 78 79.804 47.887 -20.666 1.00 0.00 H new ATOM 0 HE3 MET A 78 80.229 49.529 -20.129 1.00 0.00 H new ATOM 1221 N ASN A 79 77.028 47.125 -24.509 1.00 0.00 N ATOM 1222 CA ASN A 79 77.219 46.075 -25.503 1.00 0.00 C ATOM 1223 C ASN A 79 78.589 45.423 -25.350 1.00 0.00 C ATOM 1224 O ASN A 79 79.309 45.684 -24.386 1.00 0.00 O ATOM 1225 CB ASN A 79 77.070 46.648 -26.914 1.00 0.00 C ATOM 1226 CG ASN A 79 75.932 47.646 -27.016 1.00 0.00 C ATOM 1227 OD1 ASN A 79 74.761 47.283 -26.898 1.00 0.00 O ATOM 1228 ND2 ASN A 79 76.272 48.910 -27.236 1.00 0.00 N ATOM 0 H ASN A 79 77.392 48.037 -24.783 1.00 0.00 H new ATOM 0 HA ASN A 79 76.455 45.314 -25.343 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.002 47.132 -27.207 1.00 0.00 H new ATOM 0 HB3 ASN A 79 76.899 45.833 -27.618 1.00 0.00 H new ATOM 0 HD21 ASN A 79 75.550 49.626 -27.314 1.00 0.00 H new ATOM 0 HD22 ASN A 79 77.255 49.165 -27.327 1.00 0.00 H new ATOM 1235 N LYS A 80 78.944 44.572 -26.307 1.00 0.00 N ATOM 1236 CA LYS A 80 80.228 43.882 -26.281 1.00 0.00 C ATOM 1237 C LYS A 80 81.380 44.880 -26.211 1.00 0.00 C ATOM 1238 O LYS A 80 82.430 44.589 -25.639 1.00 0.00 O ATOM 1239 CB LYS A 80 80.380 42.997 -27.520 1.00 0.00 C ATOM 1240 CG LYS A 80 81.376 41.865 -27.340 1.00 0.00 C ATOM 1241 CD LYS A 80 80.679 40.556 -27.010 1.00 0.00 C ATOM 1242 CE LYS A 80 81.321 39.383 -27.735 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.423 38.819 -28.781 1.00 0.00 N ATOM 0 H LYS A 80 78.359 44.344 -27.111 1.00 0.00 H new ATOM 0 HA LYS A 80 80.258 43.256 -25.389 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.408 42.577 -27.778 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.693 43.615 -28.361 1.00 0.00 H new ATOM 0 HG2 LYS A 80 81.962 41.746 -28.251 1.00 0.00 H new ATOM 0 HG3 LYS A 80 82.075 42.117 -26.542 1.00 0.00 H new ATOM 0 HD2 LYS A 80 80.716 40.384 -25.934 1.00 0.00 H new ATOM 0 HD3 LYS A 80 79.627 40.624 -27.286 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.255 39.707 -28.194 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.573 38.605 -27.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.897 38.022 -29.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.542 38.486 -28.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 80.203 39.554 -29.483 1.00 0.00 H new ATOM 1257 N GLU A 81 81.175 46.056 -26.795 1.00 0.00 N ATOM 1258 CA GLU A 81 82.197 47.096 -26.798 1.00 0.00 C ATOM 1259 C GLU A 81 82.244 47.816 -25.453 1.00 0.00 C ATOM 1260 O GLU A 81 83.300 47.917 -24.828 1.00 0.00 O ATOM 1261 CB GLU A 81 81.929 48.103 -27.918 1.00 0.00 C ATOM 1262 CG GLU A 81 81.618 47.455 -29.257 1.00 0.00 C ATOM 1263 CD GLU A 81 81.738 48.425 -30.416 1.00 0.00 C ATOM 1264 OE1 GLU A 81 80.764 49.162 -30.676 1.00 0.00 O ATOM 1265 OE2 GLU A 81 82.806 48.447 -31.064 1.00 0.00 O ATOM 0 H GLU A 81 80.311 46.312 -27.272 1.00 0.00 H new ATOM 0 HA GLU A 81 83.162 46.620 -26.971 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.093 48.741 -27.630 1.00 0.00 H new ATOM 0 HB3 GLU A 81 82.799 48.749 -28.030 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.297 46.617 -29.417 1.00 0.00 H new ATOM 0 HG3 GLU A 81 80.608 47.047 -29.233 1.00 0.00 H new ATOM 1272 N ASP A 82 81.094 48.314 -25.015 1.00 0.00 N ATOM 1273 CA ASP A 82 81.003 49.024 -23.744 1.00 0.00 C ATOM 1274 C ASP A 82 81.532 48.163 -22.601 1.00 0.00 C ATOM 1275 O ASP A 82 82.256 48.646 -21.731 1.00 0.00 O ATOM 1276 CB ASP A 82 79.555 49.430 -23.465 1.00 0.00 C ATOM 1277 CG ASP A 82 78.958 50.255 -24.589 1.00 0.00 C ATOM 1278 OD1 ASP A 82 78.694 49.685 -25.668 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.754 51.470 -24.388 1.00 0.00 O ATOM 0 H ASP A 82 80.211 48.240 -25.521 1.00 0.00 H new ATOM 0 HA ASP A 82 81.617 49.922 -23.813 1.00 0.00 H new ATOM 0 HB2 ASP A 82 78.952 48.534 -23.316 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.513 50.001 -22.537 1.00 0.00 H new ATOM 1284 N PHE A 83 81.164 46.886 -22.610 1.00 0.00 N ATOM 1285 CA PHE A 83 81.600 45.958 -21.573 1.00 0.00 C ATOM 1286 C PHE A 83 83.084 45.637 -21.720 1.00 0.00 C ATOM 1287 O PHE A 83 83.777 45.382 -20.734 1.00 0.00 O ATOM 1288 CB PHE A 83 80.779 44.669 -21.635 1.00 0.00 C ATOM 1289 CG PHE A 83 79.561 44.691 -20.756 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.675 44.938 -19.398 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.302 44.465 -21.289 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.556 44.959 -18.586 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.179 44.485 -20.483 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.307 44.732 -19.130 1.00 0.00 C ATOM 0 H PHE A 83 80.565 46.470 -23.324 1.00 0.00 H new ATOM 0 HA PHE A 83 81.443 46.434 -20.605 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.470 44.494 -22.666 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.412 43.830 -21.345 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.650 45.116 -18.968 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.197 44.271 -22.346 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.658 45.153 -17.528 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.203 44.308 -20.911 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.431 44.748 -18.498 1.00 0.00 H new ATOM 1304 N LEU A 84 83.567 45.650 -22.958 1.00 0.00 N ATOM 1305 CA LEU A 84 84.969 45.360 -23.235 1.00 0.00 C ATOM 1306 C LEU A 84 85.880 46.391 -22.577 1.00 0.00 C ATOM 1307 O LEU A 84 87.034 46.102 -22.260 1.00 0.00 O ATOM 1308 CB LEU A 84 85.216 45.335 -24.745 1.00 0.00 C ATOM 1309 CG LEU A 84 85.255 43.952 -25.396 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.195 44.073 -26.911 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.505 43.197 -24.969 1.00 0.00 C ATOM 0 H LEU A 84 83.008 45.858 -23.785 1.00 0.00 H new ATOM 0 HA LEU A 84 85.200 44.380 -22.818 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.436 45.921 -25.230 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.163 45.836 -24.946 1.00 0.00 H new ATOM 0 HG LEU A 84 84.383 43.390 -25.062 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.224 43.079 -27.357 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.271 44.573 -27.200 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.047 44.654 -27.264 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.516 42.215 -25.442 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.390 43.756 -25.273 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.506 43.078 -23.886 1.00 0.00 H new ATOM 1323 N ARG A 85 85.352 47.594 -22.372 1.00 0.00 N ATOM 1324 CA ARG A 85 86.117 48.668 -21.750 1.00 0.00 C ATOM 1325 C ARG A 85 86.184 48.482 -20.237 1.00 0.00 C ATOM 1326 O ARG A 85 87.129 48.928 -19.588 1.00 0.00 O ATOM 1327 CB ARG A 85 85.494 50.025 -22.081 1.00 0.00 C ATOM 1328 CG ARG A 85 85.657 50.431 -23.537 1.00 0.00 C ATOM 1329 CD ARG A 85 84.805 51.645 -23.875 1.00 0.00 C ATOM 1330 NE ARG A 85 84.993 52.077 -25.257 1.00 0.00 N ATOM 1331 CZ ARG A 85 86.025 52.808 -25.664 1.00 0.00 C ATOM 1332 NH1 ARG A 85 86.957 53.186 -24.799 1.00 0.00 N ATOM 1333 NH2 ARG A 85 86.127 53.163 -26.939 1.00 0.00 N ATOM 0 H ARG A 85 84.398 47.849 -22.628 1.00 0.00 H new ATOM 0 HA ARG A 85 87.131 48.635 -22.148 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.432 49.997 -21.837 1.00 0.00 H new ATOM 0 HB3 ARG A 85 85.947 50.787 -21.447 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.705 50.653 -23.739 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.377 49.598 -24.182 1.00 0.00 H new ATOM 0 HD2 ARG A 85 83.754 51.408 -23.709 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.057 52.464 -23.202 1.00 0.00 H new ATOM 0 HE ARG A 85 84.294 51.803 -25.947 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.882 52.915 -23.818 1.00 0.00 H new ATOM 0 HH12 ARG A 85 87.748 53.747 -25.115 1.00 0.00 H new ATOM 0 HH21 ARG A 85 85.413 52.875 -27.607 1.00 0.00 H new ATOM 0 HH22 ARG A 85 86.920 53.724 -27.250 1.00 0.00 H new ATOM 1347 N ALA A 86 85.173 47.821 -19.682 1.00 0.00 N ATOM 1348 CA ALA A 86 85.117 47.575 -18.246 1.00 0.00 C ATOM 1349 C ALA A 86 85.819 46.270 -17.885 1.00 0.00 C ATOM 1350 O ALA A 86 86.462 46.167 -16.840 1.00 0.00 O ATOM 1351 CB ALA A 86 83.672 47.548 -17.771 1.00 0.00 C ATOM 0 H ALA A 86 84.382 47.446 -20.205 1.00 0.00 H new ATOM 0 HA ALA A 86 85.638 48.389 -17.742 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.645 47.363 -16.697 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.200 48.507 -17.986 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.134 46.754 -18.289 1.00 0.00 H new ATOM 1357 N THR A 87 85.693 45.274 -18.757 1.00 0.00 N ATOM 1358 CA THR A 87 86.313 43.976 -18.529 1.00 0.00 C ATOM 1359 C THR A 87 86.727 43.326 -19.844 1.00 0.00 C ATOM 1360 O THR A 87 86.417 43.830 -20.924 1.00 0.00 O ATOM 1361 CB THR A 87 85.365 43.024 -17.776 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.068 41.840 -17.383 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.174 42.648 -18.644 1.00 0.00 C ATOM 0 H THR A 87 85.167 45.343 -19.628 1.00 0.00 H new ATOM 0 HA THR A 87 87.199 44.152 -17.919 1.00 0.00 H new ATOM 0 HB THR A 87 84.999 43.540 -16.888 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.699 42.057 -16.665 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.519 41.975 -18.091 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.623 43.548 -18.916 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.525 42.150 -19.548 1.00 0.00 H new ATOM 1371 N THR A 88 87.431 42.202 -19.748 1.00 0.00 N ATOM 1372 CA THR A 88 87.888 41.483 -20.930 1.00 0.00 C ATOM 1373 C THR A 88 86.722 40.826 -21.660 1.00 0.00 C ATOM 1374 O THR A 88 85.599 40.792 -21.154 1.00 0.00 O ATOM 1375 CB THR A 88 88.924 40.402 -20.566 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.286 39.329 -19.864 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.035 40.987 -19.707 1.00 0.00 C ATOM 0 H THR A 88 87.697 41.770 -18.863 1.00 0.00 H new ATOM 0 HA THR A 88 88.356 42.219 -21.585 1.00 0.00 H new ATOM 0 HB THR A 88 89.361 40.022 -21.489 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.951 38.645 -19.638 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.755 40.206 -19.462 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.537 41.784 -20.255 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.610 41.390 -18.788 1.00 0.00 H new ATOM 1385 N LEU A 89 86.993 40.305 -22.851 1.00 0.00 N ATOM 1386 CA LEU A 89 85.966 39.647 -23.651 1.00 0.00 C ATOM 1387 C LEU A 89 85.474 38.375 -22.968 1.00 0.00 C ATOM 1388 O LEU A 89 84.282 38.068 -22.989 1.00 0.00 O ATOM 1389 CB LEU A 89 86.509 39.315 -25.042 1.00 0.00 C ATOM 1390 CG LEU A 89 85.487 39.319 -26.180 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.348 38.359 -25.878 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.954 40.725 -26.413 1.00 0.00 C ATOM 0 H LEU A 89 87.916 40.325 -23.285 1.00 0.00 H new ATOM 0 HA LEU A 89 85.124 40.333 -23.750 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.295 40.031 -25.284 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.975 38.331 -25.003 1.00 0.00 H new ATOM 0 HG LEU A 89 85.985 38.985 -27.090 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.631 38.376 -26.699 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.744 37.350 -25.762 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.851 38.662 -24.956 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.228 40.709 -27.226 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.473 41.087 -25.504 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.778 41.388 -26.676 1.00 0.00 H new ATOM 1404 N TYR A 90 86.400 37.641 -22.361 1.00 0.00 N ATOM 1405 CA TYR A 90 86.061 36.402 -21.671 1.00 0.00 C ATOM 1406 C TYR A 90 84.975 36.639 -20.626 1.00 0.00 C ATOM 1407 O TYR A 90 84.101 35.798 -20.420 1.00 0.00 O ATOM 1408 CB TYR A 90 87.303 35.808 -21.006 1.00 0.00 C ATOM 1409 CG TYR A 90 87.023 34.552 -20.212 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.634 34.621 -18.880 1.00 0.00 C ATOM 1411 CD2 TYR A 90 87.149 33.296 -20.793 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.378 33.476 -18.150 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.893 32.146 -20.072 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.508 32.241 -18.751 1.00 0.00 C ATOM 1415 OH TYR A 90 86.254 31.098 -18.028 1.00 0.00 O ATOM 0 H TYR A 90 87.391 37.882 -22.333 1.00 0.00 H new ATOM 0 HA TYR A 90 85.680 35.697 -22.410 1.00 0.00 H new ATOM 0 HB2 TYR A 90 88.044 35.585 -21.774 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.743 36.555 -20.345 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.530 35.586 -18.407 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.452 33.218 -21.827 1.00 0.00 H new ATOM 0 HE1 TYR A 90 86.078 33.547 -17.115 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.994 31.178 -20.540 1.00 0.00 H new ATOM 0 HH TYR A 90 86.391 30.313 -18.598 1.00 0.00 H new ATOM 1425 N ASN A 91 85.037 37.793 -19.969 1.00 0.00 N ATOM 1426 CA ASN A 91 84.060 38.143 -18.945 1.00 0.00 C ATOM 1427 C ASN A 91 82.822 38.779 -19.569 1.00 0.00 C ATOM 1428 O ASN A 91 81.696 38.526 -19.140 1.00 0.00 O ATOM 1429 CB ASN A 91 84.680 39.100 -17.925 1.00 0.00 C ATOM 1430 CG ASN A 91 85.625 38.396 -16.971 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.637 37.168 -16.885 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.424 39.173 -16.248 1.00 0.00 N ATOM 0 H ASN A 91 85.754 38.501 -20.128 1.00 0.00 H new ATOM 0 HA ASN A 91 83.759 37.227 -18.437 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.219 39.888 -18.451 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.886 39.583 -17.355 1.00 0.00 H new ATOM 0 HD21 ASN A 91 87.081 38.756 -15.589 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.380 40.187 -16.352 1.00 0.00 H new ATOM 1439 N THR A 92 83.038 39.607 -20.587 1.00 0.00 N ATOM 1440 CA THR A 92 81.941 40.281 -21.270 1.00 0.00 C ATOM 1441 C THR A 92 80.880 39.284 -21.723 1.00 0.00 C ATOM 1442 O THR A 92 79.683 39.535 -21.590 1.00 0.00 O ATOM 1443 CB THR A 92 82.442 41.070 -22.494 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.415 42.039 -22.087 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.288 41.768 -23.197 1.00 0.00 C ATOM 0 H THR A 92 83.963 39.827 -20.956 1.00 0.00 H new ATOM 0 HA THR A 92 81.502 40.975 -20.554 1.00 0.00 H new ATOM 0 HB THR A 92 82.899 40.367 -23.190 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.288 41.605 -21.989 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.666 42.319 -24.058 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.563 41.026 -23.531 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.807 42.460 -22.506 1.00 0.00 H new ATOM 1453 N GLU A 93 81.328 38.152 -22.257 1.00 0.00 N ATOM 1454 CA GLU A 93 80.416 37.117 -22.729 1.00 0.00 C ATOM 1455 C GLU A 93 79.634 36.510 -21.567 1.00 0.00 C ATOM 1456 O GLU A 93 78.521 36.014 -21.745 1.00 0.00 O ATOM 1457 CB GLU A 93 81.189 36.021 -23.465 1.00 0.00 C ATOM 1458 CG GLU A 93 81.964 36.527 -24.669 1.00 0.00 C ATOM 1459 CD GLU A 93 81.976 35.533 -25.815 1.00 0.00 C ATOM 1460 OE1 GLU A 93 80.899 34.992 -26.143 1.00 0.00 O ATOM 1461 OE2 GLU A 93 83.063 35.297 -26.384 1.00 0.00 O ATOM 0 H GLU A 93 82.316 37.929 -22.373 1.00 0.00 H new ATOM 0 HA GLU A 93 79.709 37.579 -23.419 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.882 35.548 -22.770 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.490 35.251 -23.791 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.526 37.465 -25.011 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.990 36.745 -24.371 1.00 0.00 H new ATOM 1468 N VAL A 94 80.224 36.553 -20.377 1.00 0.00 N ATOM 1469 CA VAL A 94 79.584 36.009 -19.186 1.00 0.00 C ATOM 1470 C VAL A 94 78.596 37.006 -18.589 1.00 0.00 C ATOM 1471 O VAL A 94 77.644 36.621 -17.908 1.00 0.00 O ATOM 1472 CB VAL A 94 80.623 35.629 -18.114 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.939 35.017 -16.901 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.657 34.674 -18.691 1.00 0.00 C ATOM 0 H VAL A 94 81.145 36.959 -20.212 1.00 0.00 H new ATOM 0 HA VAL A 94 79.048 35.112 -19.497 1.00 0.00 H new ATOM 0 HB VAL A 94 81.137 36.535 -17.793 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.689 34.755 -16.154 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.240 35.737 -16.476 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.398 34.120 -17.202 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.384 34.416 -17.921 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.161 33.768 -19.040 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.168 35.153 -19.526 1.00 0.00 H new ATOM 1484 N LEU A 95 78.828 38.288 -18.848 1.00 0.00 N ATOM 1485 CA LEU A 95 77.958 39.341 -18.337 1.00 0.00 C ATOM 1486 C LEU A 95 76.761 39.554 -19.259 1.00 0.00 C ATOM 1487 O LEU A 95 75.610 39.469 -18.828 1.00 0.00 O ATOM 1488 CB LEU A 95 78.740 40.648 -18.189 1.00 0.00 C ATOM 1489 CG LEU A 95 79.947 40.605 -17.250 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.830 41.825 -17.461 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.492 40.517 -15.801 1.00 0.00 C ATOM 0 H LEU A 95 79.611 38.623 -19.409 1.00 0.00 H new ATOM 0 HA LEU A 95 77.590 39.031 -17.359 1.00 0.00 H new ATOM 0 HB2 LEU A 95 79.084 40.956 -19.176 1.00 0.00 H new ATOM 0 HB3 LEU A 95 78.056 41.419 -17.834 1.00 0.00 H new ATOM 0 HG LEU A 95 80.532 39.715 -17.480 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.684 41.778 -16.785 1.00 0.00 H new ATOM 0 HD12 LEU A 95 81.184 41.844 -18.492 1.00 0.00 H new ATOM 0 HD13 LEU A 95 80.256 42.729 -17.258 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.364 40.487 -15.147 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.885 41.389 -15.557 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.901 39.612 -15.659 1.00 0.00 H new ATOM 1503 N LEU A 96 77.040 39.828 -20.528 1.00 0.00 N ATOM 1504 CA LEU A 96 75.986 40.050 -21.512 1.00 0.00 C ATOM 1505 C LEU A 96 75.036 38.858 -21.571 1.00 0.00 C ATOM 1506 O LEU A 96 73.819 39.016 -21.471 1.00 0.00 O ATOM 1507 CB LEU A 96 76.595 40.300 -22.893 1.00 0.00 C ATOM 1508 CG LEU A 96 75.687 40.990 -23.912 1.00 0.00 C ATOM 1509 CD1 LEU A 96 75.296 42.377 -23.425 1.00 0.00 C ATOM 1510 CD2 LEU A 96 76.373 41.072 -25.268 1.00 0.00 C ATOM 0 H LEU A 96 77.987 39.902 -20.900 1.00 0.00 H new ATOM 0 HA LEU A 96 75.418 40.929 -21.207 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.493 40.905 -22.768 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.911 39.343 -23.307 1.00 0.00 H new ATOM 0 HG LEU A 96 74.779 40.397 -24.022 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.650 42.853 -24.163 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.764 42.293 -22.477 1.00 0.00 H new ATOM 0 HD13 LEU A 96 76.193 42.980 -23.286 1.00 0.00 H new ATOM 0 HD21 LEU A 96 75.712 41.566 -25.981 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.297 41.642 -25.174 1.00 0.00 H new ATOM 0 HD23 LEU A 96 76.601 40.067 -25.622 1.00 0.00 H new ATOM 1522 N SER A 97 75.600 37.665 -21.732 1.00 0.00 N ATOM 1523 CA SER A 97 74.803 36.446 -21.806 1.00 0.00 C ATOM 1524 C SER A 97 73.873 36.332 -20.602 1.00 0.00 C ATOM 1525 O SER A 97 72.749 35.842 -20.716 1.00 0.00 O ATOM 1526 CB SER A 97 75.715 35.220 -21.878 1.00 0.00 C ATOM 1527 OG SER A 97 74.971 34.048 -22.167 1.00 0.00 O ATOM 0 H SER A 97 76.606 37.517 -21.814 1.00 0.00 H new ATOM 0 HA SER A 97 74.195 36.492 -22.710 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.474 35.372 -22.646 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.240 35.097 -20.931 1.00 0.00 H new ATOM 0 HG SER A 97 75.576 33.278 -22.209 1.00 0.00 H new ATOM 1533 N HIS A 98 74.349 36.789 -19.448 1.00 0.00 N ATOM 1534 CA HIS A 98 73.560 36.740 -18.222 1.00 0.00 C ATOM 1535 C HIS A 98 72.430 37.764 -18.262 1.00 0.00 C ATOM 1536 O HIS A 98 71.258 37.417 -18.112 1.00 0.00 O ATOM 1537 CB HIS A 98 74.452 36.993 -17.006 1.00 0.00 C ATOM 1538 CG HIS A 98 73.868 36.493 -15.721 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.545 36.671 -15.375 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.435 35.814 -14.696 1.00 0.00 C ATOM 1541 CE1 HIS A 98 72.324 36.126 -14.192 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.455 35.599 -13.759 1.00 0.00 N ATOM 0 H HIS A 98 75.277 37.197 -19.336 1.00 0.00 H new ATOM 0 HA HIS A 98 73.122 35.745 -18.140 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.417 36.513 -17.168 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.638 38.063 -16.919 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.466 35.500 -14.628 1.00 0.00 H new ATOM 0 HE1 HIS A 98 71.380 36.114 -13.668 1.00 0.00 H new ATOM 0 HE2 HIS A 98 73.580 35.111 -12.872 1.00 0.00 H new ATOM 1550 N LEU A 99 72.790 39.027 -18.463 1.00 0.00 N ATOM 1551 CA LEU A 99 71.806 40.103 -18.521 1.00 0.00 C ATOM 1552 C LEU A 99 70.747 39.815 -19.580 1.00 0.00 C ATOM 1553 O LEU A 99 69.617 40.294 -19.488 1.00 0.00 O ATOM 1554 CB LEU A 99 72.496 41.435 -18.821 1.00 0.00 C ATOM 1555 CG LEU A 99 72.463 42.475 -17.701 1.00 0.00 C ATOM 1556 CD1 LEU A 99 73.326 42.027 -16.532 1.00 0.00 C ATOM 1557 CD2 LEU A 99 72.924 43.830 -18.218 1.00 0.00 C ATOM 0 H LEU A 99 73.755 39.331 -18.589 1.00 0.00 H new ATOM 0 HA LEU A 99 71.314 40.166 -17.550 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.537 41.233 -19.072 1.00 0.00 H new ATOM 0 HB3 LEU A 99 72.033 41.870 -19.707 1.00 0.00 H new ATOM 0 HG LEU A 99 71.435 42.572 -17.351 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.291 42.779 -15.744 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.952 41.079 -16.146 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.356 41.901 -16.867 1.00 0.00 H new ATOM 0 HD21 LEU A 99 72.894 44.558 -17.407 1.00 0.00 H new ATOM 0 HD22 LEU A 99 73.944 43.748 -18.595 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.265 44.156 -19.023 1.00 0.00 H new ATOM 1569 N SER A 100 71.120 39.028 -20.584 1.00 0.00 N ATOM 1570 CA SER A 100 70.202 38.677 -21.662 1.00 0.00 C ATOM 1571 C SER A 100 69.405 37.425 -21.311 1.00 0.00 C ATOM 1572 O SER A 100 68.289 37.230 -21.794 1.00 0.00 O ATOM 1573 CB SER A 100 70.973 38.456 -22.965 1.00 0.00 C ATOM 1574 OG SER A 100 70.203 37.712 -23.893 1.00 0.00 O ATOM 0 H SER A 100 72.051 38.621 -20.674 1.00 0.00 H new ATOM 0 HA SER A 100 69.505 39.504 -21.796 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.242 39.419 -23.400 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.904 37.930 -22.755 1.00 0.00 H new ATOM 0 HG SER A 100 70.717 37.586 -24.718 1.00 0.00 H new ATOM 1580 N TYR A 101 69.985 36.579 -20.467 1.00 0.00 N ATOM 1581 CA TYR A 101 69.331 35.344 -20.052 1.00 0.00 C ATOM 1582 C TYR A 101 68.155 35.635 -19.125 1.00 0.00 C ATOM 1583 O TYR A 101 67.194 34.867 -19.060 1.00 0.00 O ATOM 1584 CB TYR A 101 70.331 34.423 -19.352 1.00 0.00 C ATOM 1585 CG TYR A 101 69.704 33.172 -18.779 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.602 32.012 -19.537 1.00 0.00 C ATOM 1587 CD2 TYR A 101 69.215 33.149 -17.479 1.00 0.00 C ATOM 1588 CE1 TYR A 101 69.029 30.868 -19.018 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.642 32.009 -16.951 1.00 0.00 C ATOM 1590 CZ TYR A 101 68.551 30.870 -17.725 1.00 0.00 C ATOM 1591 OH TYR A 101 67.981 29.732 -17.203 1.00 0.00 O ATOM 0 H TYR A 101 70.907 36.726 -20.057 1.00 0.00 H new ATOM 0 HA TYR A 101 68.952 34.846 -20.944 1.00 0.00 H new ATOM 0 HB2 TYR A 101 71.108 34.138 -20.062 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.820 34.975 -18.549 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.977 32.005 -20.550 1.00 0.00 H new ATOM 0 HD2 TYR A 101 69.284 34.039 -16.870 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.956 29.976 -19.622 1.00 0.00 H new ATOM 0 HE2 TYR A 101 68.267 32.009 -15.938 1.00 0.00 H new ATOM 0 HH TYR A 101 67.697 29.902 -16.281 1.00 0.00 H new ATOM 1601 N LEU A 102 68.237 36.751 -18.408 1.00 0.00 N ATOM 1602 CA LEU A 102 67.180 37.146 -17.484 1.00 0.00 C ATOM 1603 C LEU A 102 66.007 37.770 -18.233 1.00 0.00 C ATOM 1604 O LEU A 102 64.877 37.292 -18.145 1.00 0.00 O ATOM 1605 CB LEU A 102 67.723 38.134 -16.450 1.00 0.00 C ATOM 1606 CG LEU A 102 68.782 37.588 -15.491 1.00 0.00 C ATOM 1607 CD1 LEU A 102 69.454 38.723 -14.734 1.00 0.00 C ATOM 1608 CD2 LEU A 102 68.160 36.593 -14.522 1.00 0.00 C ATOM 0 H LEU A 102 69.025 37.398 -18.449 1.00 0.00 H new ATOM 0 HA LEU A 102 66.826 36.251 -16.972 1.00 0.00 H new ATOM 0 HB2 LEU A 102 68.147 38.987 -16.980 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.886 38.508 -15.860 1.00 0.00 H new ATOM 0 HG LEU A 102 69.542 37.070 -16.076 1.00 0.00 H new ATOM 0 HD11 LEU A 102 70.204 38.315 -14.057 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.934 39.399 -15.442 1.00 0.00 H new ATOM 0 HD13 LEU A 102 68.706 39.270 -14.160 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.927 36.214 -13.847 1.00 0.00 H new ATOM 0 HD22 LEU A 102 67.380 37.088 -13.944 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.727 35.763 -15.081 1.00 0.00 H new