USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 61:sc= -0.443 USER MOD Set 1.2: A 91 ASN : amide:sc= -0.792 K(o=-1.2,f=-5.4!) USER MOD Set 2.1: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 78 MET CE :methyl -159:sc= -0.488 (180deg=-1.04) USER MOD Set 3.1: A 68 GLN : amide:sc= -2.24 K(o=-3.5,f=-5.5!) USER MOD Set 3.2: A 69 ASN : amide:sc= -1.22 K(o=-3.5,f=-6.7!) USER MOD Set 4.1: A 57 TYR OH : rot 180:sc=-0.00528 USER MOD Set 4.2: A 98 HIS : no HE2:sc= -0.134 K(o=-0.14,f=-0.76!) USER MOD Set 5.1: A 42 THR OG1 : rot -74:sc= 1.4 USER MOD Set 5.2: A 45 HIS : no HD1:sc= 0.168 K(o=1.6,f=-4.1) 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 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -26:sc= 0.662 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00946 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.000892) USER MOD Single : A 76 CYS SG : rot -25:sc= 0.931 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.13) USER MOD Single : A 80 LYS NZ :NH3+ -134:sc= 0.524 (180deg=0.0157) 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 90: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 66.684 38.195 -6.014 1.00 0.00 N ATOM 460 CA ILE A 33 67.838 38.249 -6.903 1.00 0.00 C ATOM 461 C ILE A 33 67.593 39.206 -8.065 1.00 0.00 C ATOM 462 O ILE A 33 68.523 39.830 -8.575 1.00 0.00 O ATOM 463 CB ILE A 33 68.181 36.856 -7.464 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.497 36.906 -8.244 1.00 0.00 C ATOM 465 CG2 ILE A 33 67.053 36.349 -8.350 1.00 0.00 C ATOM 466 CD1 ILE A 33 70.286 35.617 -8.182 1.00 0.00 C ATOM 0 HA ILE A 33 68.678 38.610 -6.309 1.00 0.00 H new ATOM 0 HB ILE A 33 68.301 36.164 -6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.283 37.142 -9.287 1.00 0.00 H new ATOM 0 HG13 ILE A 33 70.111 37.717 -7.853 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.310 35.364 -8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 33 66.135 36.280 -7.767 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.904 37.039 -9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.206 35.725 -8.757 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.531 35.390 -7.144 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.690 34.805 -8.600 1.00 0.00 H new ATOM 478 N VAL A 34 66.335 39.318 -8.477 1.00 0.00 N ATOM 479 CA VAL A 34 65.966 40.201 -9.577 1.00 0.00 C ATOM 480 C VAL A 34 64.521 40.670 -9.445 1.00 0.00 C ATOM 481 O VAL A 34 63.621 39.899 -9.112 1.00 0.00 O ATOM 482 CB VAL A 34 66.147 39.507 -10.939 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.110 40.005 -11.935 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.556 39.730 -11.468 1.00 0.00 C ATOM 0 H VAL A 34 65.553 38.808 -8.065 1.00 0.00 H new ATOM 0 HA VAL A 34 66.630 41.064 -9.527 1.00 0.00 H new ATOM 0 HB VAL A 34 66.000 38.436 -10.803 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.254 39.503 -12.892 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.110 39.788 -11.558 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.222 41.081 -12.069 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.666 39.232 -12.432 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.734 40.798 -11.589 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.279 39.319 -10.763 1.00 0.00 H new ATOM 494 N PRO A 35 64.292 41.964 -9.713 1.00 0.00 N ATOM 495 CA PRO A 35 62.957 42.564 -9.632 1.00 0.00 C ATOM 496 C PRO A 35 62.031 42.070 -10.738 1.00 0.00 C ATOM 497 O PRO A 35 60.893 41.681 -10.480 1.00 0.00 O ATOM 498 CB PRO A 35 63.232 44.062 -9.793 1.00 0.00 C ATOM 499 CG PRO A 35 64.512 44.133 -10.551 1.00 0.00 C ATOM 500 CD PRO A 35 65.318 42.940 -10.115 1.00 0.00 C ATOM 0 HA PRO A 35 62.450 42.307 -8.702 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.425 44.557 -10.333 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.318 44.555 -8.825 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.331 44.110 -11.626 1.00 0.00 H new ATOM 0 HG3 PRO A 35 65.042 45.061 -10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.941 42.558 -10.924 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.985 43.186 -9.288 1.00 0.00 H new ATOM 508 N ALA A 36 62.527 42.089 -11.971 1.00 0.00 N ATOM 509 CA ALA A 36 61.745 41.640 -13.116 1.00 0.00 C ATOM 510 C ALA A 36 62.559 41.722 -14.403 1.00 0.00 C ATOM 511 O ALA A 36 62.905 40.700 -14.996 1.00 0.00 O ATOM 512 CB ALA A 36 60.472 42.464 -13.241 1.00 0.00 C ATOM 0 H ALA A 36 63.467 42.411 -12.202 1.00 0.00 H new ATOM 0 HA ALA A 36 61.475 40.596 -12.954 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.898 42.118 -14.100 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.875 42.351 -12.336 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.730 43.514 -13.376 1.00 0.00 H new ATOM 518 N ASP A 37 62.861 42.943 -14.830 1.00 0.00 N ATOM 519 CA ASP A 37 63.634 43.159 -16.047 1.00 0.00 C ATOM 520 C ASP A 37 64.896 43.965 -15.754 1.00 0.00 C ATOM 521 O ASP A 37 65.004 44.645 -14.733 1.00 0.00 O ATOM 522 CB ASP A 37 62.786 43.879 -17.096 1.00 0.00 C ATOM 523 CG ASP A 37 62.271 42.940 -18.169 1.00 0.00 C ATOM 524 OD1 ASP A 37 61.650 41.916 -17.813 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.487 43.229 -19.364 1.00 0.00 O ATOM 0 H ASP A 37 62.582 43.799 -14.351 1.00 0.00 H new ATOM 0 HA ASP A 37 63.929 42.185 -16.437 1.00 0.00 H new ATOM 0 HB2 ASP A 37 61.942 44.364 -16.606 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.380 44.666 -17.561 1.00 0.00 H new ATOM 530 N PRO A 38 65.873 43.889 -16.669 1.00 0.00 N ATOM 531 CA PRO A 38 67.145 44.605 -16.530 1.00 0.00 C ATOM 532 C PRO A 38 66.981 46.113 -16.688 1.00 0.00 C ATOM 533 O PRO A 38 67.859 46.887 -16.306 1.00 0.00 O ATOM 534 CB PRO A 38 67.997 44.038 -17.668 1.00 0.00 C ATOM 535 CG PRO A 38 67.011 43.572 -18.684 1.00 0.00 C ATOM 536 CD PRO A 38 65.812 43.098 -17.910 1.00 0.00 C ATOM 0 HA PRO A 38 67.584 44.469 -15.542 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.662 44.797 -18.081 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.626 43.218 -17.321 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.742 44.379 -19.365 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.427 42.768 -19.291 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.885 43.277 -18.455 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.862 42.028 -17.708 1.00 0.00 H new ATOM 544 N THR A 39 65.850 46.525 -17.252 1.00 0.00 N ATOM 545 CA THR A 39 65.571 47.941 -17.461 1.00 0.00 C ATOM 546 C THR A 39 65.013 48.583 -16.196 1.00 0.00 C ATOM 547 O THR A 39 65.154 49.788 -15.985 1.00 0.00 O ATOM 548 CB THR A 39 64.573 48.153 -18.614 1.00 0.00 C ATOM 549 OG1 THR A 39 63.331 47.508 -18.312 1.00 0.00 O ATOM 550 CG2 THR A 39 65.130 47.605 -19.920 1.00 0.00 C ATOM 0 H THR A 39 65.112 45.898 -17.572 1.00 0.00 H new ATOM 0 HA THR A 39 66.518 48.415 -17.719 1.00 0.00 H new ATOM 0 HB THR A 39 64.407 49.224 -18.729 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.701 47.649 -19.050 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.407 47.766 -20.720 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.060 48.118 -20.163 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.322 46.537 -19.814 1.00 0.00 H new ATOM 558 N LEU A 40 64.379 47.772 -15.356 1.00 0.00 N ATOM 559 CA LEU A 40 63.800 48.262 -14.110 1.00 0.00 C ATOM 560 C LEU A 40 64.632 47.819 -12.911 1.00 0.00 C ATOM 561 O LEU A 40 64.099 47.297 -11.932 1.00 0.00 O ATOM 562 CB LEU A 40 62.363 47.759 -13.961 1.00 0.00 C ATOM 563 CG LEU A 40 61.426 48.048 -15.135 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.515 46.858 -15.396 1.00 0.00 C ATOM 565 CD2 LEU A 40 60.605 49.301 -14.866 1.00 0.00 C ATOM 0 H LEU A 40 64.253 46.772 -15.515 1.00 0.00 H new ATOM 0 HA LEU A 40 63.796 49.351 -14.144 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.391 46.681 -13.801 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.935 48.203 -13.062 1.00 0.00 H new ATOM 0 HG LEU A 40 62.032 48.218 -16.025 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.855 47.082 -16.234 1.00 0.00 H new ATOM 0 HD12 LEU A 40 61.119 45.982 -15.633 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.917 46.656 -14.508 1.00 0.00 H new ATOM 0 HD21 LEU A 40 59.944 49.491 -15.712 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.009 49.159 -13.964 1.00 0.00 H new ATOM 0 HD23 LEU A 40 61.273 50.151 -14.729 1.00 0.00 H new ATOM 577 N TRP A 41 65.940 48.032 -12.995 1.00 0.00 N ATOM 578 CA TRP A 41 66.846 47.657 -11.916 1.00 0.00 C ATOM 579 C TRP A 41 67.152 48.853 -11.021 1.00 0.00 C ATOM 580 O TRP A 41 66.872 49.997 -11.379 1.00 0.00 O ATOM 581 CB TRP A 41 68.145 47.086 -12.488 1.00 0.00 C ATOM 582 CG TRP A 41 68.170 45.588 -12.526 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.094 44.753 -12.628 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.328 44.749 -12.460 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.514 43.445 -12.630 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.879 43.415 -12.529 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.699 44.993 -12.353 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.755 42.333 -12.492 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.567 43.918 -12.316 1.00 0.00 C ATOM 590 CH2 TRP A 41 71.092 42.601 -12.386 1.00 0.00 C ATOM 0 H TRP A 41 66.397 48.462 -13.799 1.00 0.00 H new ATOM 0 HA TRP A 41 66.356 46.892 -11.313 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.289 47.470 -13.498 1.00 0.00 H new ATOM 0 HB3 TRP A 41 68.984 47.441 -11.890 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.065 45.074 -12.697 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.907 42.628 -12.696 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.074 46.004 -12.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.391 41.318 -12.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.629 44.096 -12.232 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.795 41.782 -12.356 1.00 0.00 H new ATOM 601 N THR A 42 67.730 48.582 -9.854 1.00 0.00 N ATOM 602 CA THR A 42 68.073 49.636 -8.908 1.00 0.00 C ATOM 603 C THR A 42 69.584 49.766 -8.754 1.00 0.00 C ATOM 604 O THR A 42 70.346 49.047 -9.400 1.00 0.00 O ATOM 605 CB THR A 42 67.448 49.374 -7.525 1.00 0.00 C ATOM 606 OG1 THR A 42 68.072 48.240 -6.912 1.00 0.00 O ATOM 607 CG2 THR A 42 65.951 49.132 -7.644 1.00 0.00 C ATOM 0 H THR A 42 67.970 47.641 -9.542 1.00 0.00 H new ATOM 0 HA THR A 42 67.670 50.566 -9.310 1.00 0.00 H new ATOM 0 HB THR A 42 67.609 50.256 -6.906 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.762 47.420 -7.349 1.00 0.00 H new ATOM 0 HG21 THR A 42 65.532 48.949 -6.654 1.00 0.00 H new ATOM 0 HG22 THR A 42 65.475 50.008 -8.084 1.00 0.00 H new ATOM 0 HG23 THR A 42 65.772 48.265 -8.279 1.00 0.00 H new ATOM 615 N GLN A 43 70.009 50.687 -7.896 1.00 0.00 N ATOM 616 CA GLN A 43 71.430 50.911 -7.658 1.00 0.00 C ATOM 617 C GLN A 43 72.051 49.730 -6.919 1.00 0.00 C ATOM 618 O GLN A 43 73.247 49.469 -7.043 1.00 0.00 O ATOM 619 CB GLN A 43 71.638 52.196 -6.855 1.00 0.00 C ATOM 620 CG GLN A 43 71.214 53.453 -7.598 1.00 0.00 C ATOM 621 CD GLN A 43 70.477 54.436 -6.709 1.00 0.00 C ATOM 622 OE1 GLN A 43 71.039 54.962 -5.747 1.00 0.00 O ATOM 623 NE2 GLN A 43 69.213 54.689 -7.026 1.00 0.00 N ATOM 0 H GLN A 43 69.390 51.290 -7.354 1.00 0.00 H new ATOM 0 HA GLN A 43 71.923 51.011 -8.625 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.076 52.128 -5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 43 72.691 52.280 -6.586 1.00 0.00 H new ATOM 0 HG2 GLN A 43 72.096 53.938 -8.016 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.574 53.177 -8.436 1.00 0.00 H new ATOM 0 HE21 GLN A 43 68.788 54.230 -7.832 1.00 0.00 H new ATOM 0 HE22 GLN A 43 68.667 55.342 -6.464 1.00 0.00 H new ATOM 632 N GLU A 44 71.229 49.020 -6.152 1.00 0.00 N ATOM 633 CA GLU A 44 71.700 47.867 -5.393 1.00 0.00 C ATOM 634 C GLU A 44 71.788 46.630 -6.281 1.00 0.00 C ATOM 635 O GLU A 44 72.766 45.884 -6.231 1.00 0.00 O ATOM 636 CB GLU A 44 70.769 47.594 -4.210 1.00 0.00 C ATOM 637 CG GLU A 44 71.358 47.992 -2.867 1.00 0.00 C ATOM 638 CD GLU A 44 70.857 49.340 -2.386 1.00 0.00 C ATOM 639 OE1 GLU A 44 71.162 50.355 -3.047 1.00 0.00 O ATOM 640 OE2 GLU A 44 70.161 49.380 -1.351 1.00 0.00 O ATOM 0 H GLU A 44 70.236 49.222 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 44 72.698 48.094 -5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.835 48.134 -4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 44 70.524 46.532 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 44 71.111 47.231 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 44 72.445 48.019 -2.945 1.00 0.00 H new ATOM 647 N HIS A 45 70.758 46.418 -7.095 1.00 0.00 N ATOM 648 CA HIS A 45 70.718 45.271 -7.995 1.00 0.00 C ATOM 649 C HIS A 45 71.940 45.256 -8.909 1.00 0.00 C ATOM 650 O HIS A 45 72.362 44.200 -9.380 1.00 0.00 O ATOM 651 CB HIS A 45 69.440 45.298 -8.833 1.00 0.00 C ATOM 652 CG HIS A 45 68.219 44.873 -8.077 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.177 45.729 -7.787 1.00 0.00 N ATOM 654 CD2 HIS A 45 67.875 43.674 -7.552 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.247 45.075 -7.115 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.646 43.826 -6.959 1.00 0.00 N ATOM 0 H HIS A 45 69.940 47.025 -7.150 1.00 0.00 H new ATOM 0 HA HIS A 45 70.727 44.364 -7.390 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.287 46.307 -9.216 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.568 44.646 -9.697 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.459 42.766 -7.592 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.318 45.491 -6.754 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.126 43.093 -6.476 1.00 0.00 H new ATOM 664 N VAL A 46 72.503 46.434 -9.157 1.00 0.00 N ATOM 665 CA VAL A 46 73.676 46.556 -10.014 1.00 0.00 C ATOM 666 C VAL A 46 74.953 46.234 -9.247 1.00 0.00 C ATOM 667 O VAL A 46 75.956 45.827 -9.834 1.00 0.00 O ATOM 668 CB VAL A 46 73.791 47.972 -10.610 1.00 0.00 C ATOM 669 CG1 VAL A 46 75.026 48.082 -11.490 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.535 48.323 -11.393 1.00 0.00 C ATOM 0 H VAL A 46 72.165 47.318 -8.776 1.00 0.00 H new ATOM 0 HA VAL A 46 73.552 45.838 -10.824 1.00 0.00 H new ATOM 0 HB VAL A 46 73.893 48.685 -9.792 1.00 0.00 H new ATOM 0 HG11 VAL A 46 75.091 49.089 -11.902 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.916 47.875 -10.895 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.958 47.360 -12.304 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.633 49.326 -11.807 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.400 47.607 -12.204 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.671 48.287 -10.730 1.00 0.00 H new ATOM 680 N ARG A 47 74.909 46.418 -7.932 1.00 0.00 N ATOM 681 CA ARG A 47 76.063 46.148 -7.083 1.00 0.00 C ATOM 682 C ARG A 47 76.076 44.691 -6.630 1.00 0.00 C ATOM 683 O ARG A 47 77.053 43.974 -6.842 1.00 0.00 O ATOM 684 CB ARG A 47 76.055 47.073 -5.865 1.00 0.00 C ATOM 685 CG ARG A 47 77.390 47.753 -5.607 1.00 0.00 C ATOM 686 CD ARG A 47 77.349 48.598 -4.343 1.00 0.00 C ATOM 687 NE ARG A 47 78.527 48.386 -3.505 1.00 0.00 N ATOM 688 CZ ARG A 47 79.732 48.864 -3.797 1.00 0.00 C ATOM 689 NH1 ARG A 47 79.917 49.577 -4.899 1.00 0.00 N ATOM 690 NH2 ARG A 47 80.754 48.629 -2.985 1.00 0.00 N ATOM 0 H ARG A 47 74.086 46.753 -7.431 1.00 0.00 H new ATOM 0 HA ARG A 47 76.964 46.336 -7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.289 47.836 -6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 47 75.774 46.497 -4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 47 78.172 46.999 -5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 47 77.650 48.382 -6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 47 77.281 49.652 -4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.451 48.356 -3.774 1.00 0.00 H new ATOM 0 HE ARG A 47 78.419 47.841 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 47 79.133 49.760 -5.526 1.00 0.00 H new ATOM 0 HH12 ARG A 47 80.843 49.943 -5.120 1.00 0.00 H new ATOM 0 HH21 ARG A 47 80.615 48.081 -2.136 1.00 0.00 H new ATOM 0 HH22 ARG A 47 81.679 48.996 -3.210 1.00 0.00 H new ATOM 704 N GLN A 48 74.985 44.262 -6.004 1.00 0.00 N ATOM 705 CA GLN A 48 74.871 42.892 -5.520 1.00 0.00 C ATOM 706 C GLN A 48 75.139 41.894 -6.642 1.00 0.00 C ATOM 707 O GLN A 48 75.924 40.960 -6.481 1.00 0.00 O ATOM 708 CB GLN A 48 73.482 42.651 -4.928 1.00 0.00 C ATOM 709 CG GLN A 48 73.430 42.801 -3.416 1.00 0.00 C ATOM 710 CD GLN A 48 72.368 41.927 -2.779 1.00 0.00 C ATOM 711 OE1 GLN A 48 71.192 41.998 -3.138 1.00 0.00 O ATOM 712 NE2 GLN A 48 72.776 41.097 -1.827 1.00 0.00 N ATOM 0 H GLN A 48 74.168 44.844 -5.820 1.00 0.00 H new ATOM 0 HA GLN A 48 75.620 42.745 -4.742 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.778 43.351 -5.378 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.151 41.648 -5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 48 74.403 42.548 -2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 48 73.236 43.844 -3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 48 73.760 41.071 -1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 48 72.105 40.485 -1.362 1.00 0.00 H new ATOM 721 N TRP A 49 74.480 42.098 -7.777 1.00 0.00 N ATOM 722 CA TRP A 49 74.647 41.216 -8.927 1.00 0.00 C ATOM 723 C TRP A 49 76.117 41.092 -9.309 1.00 0.00 C ATOM 724 O TRP A 49 76.596 40.004 -9.631 1.00 0.00 O ATOM 725 CB TRP A 49 73.839 41.736 -10.117 1.00 0.00 C ATOM 726 CG TRP A 49 74.092 40.977 -11.384 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.649 39.722 -11.690 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.849 41.424 -12.514 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.085 39.362 -12.942 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.822 40.389 -13.469 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.545 42.598 -12.813 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.465 40.495 -14.699 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.183 42.702 -14.034 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.139 41.656 -14.966 1.00 0.00 C ATOM 0 H TRP A 49 73.825 42.866 -7.926 1.00 0.00 H new ATOM 0 HA TRP A 49 74.278 40.228 -8.652 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.777 41.684 -9.877 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.078 42.787 -10.278 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.045 39.103 -11.043 1.00 0.00 H new ATOM 0 HE1 TRP A 49 73.891 38.474 -13.404 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.584 43.410 -12.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.433 39.689 -15.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.725 43.605 -14.274 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.647 41.768 -15.913 1.00 0.00 H new ATOM 745 N LEU A 50 76.830 42.213 -9.273 1.00 0.00 N ATOM 746 CA LEU A 50 78.248 42.230 -9.616 1.00 0.00 C ATOM 747 C LEU A 50 79.046 41.332 -8.676 1.00 0.00 C ATOM 748 O LEU A 50 79.608 40.322 -9.096 1.00 0.00 O ATOM 749 CB LEU A 50 78.789 43.659 -9.558 1.00 0.00 C ATOM 750 CG LEU A 50 80.075 43.921 -10.343 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.774 44.078 -11.825 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.784 45.157 -9.807 1.00 0.00 C ATOM 0 H LEU A 50 76.449 43.122 -9.010 1.00 0.00 H new ATOM 0 HA LEU A 50 78.356 41.848 -10.631 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.017 44.334 -9.928 1.00 0.00 H new ATOM 0 HB3 LEU A 50 78.965 43.918 -8.514 1.00 0.00 H new ATOM 0 HG LEU A 50 80.736 43.063 -10.217 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.701 44.264 -12.367 1.00 0.00 H new ATOM 0 HD12 LEU A 50 79.311 43.166 -12.201 1.00 0.00 H new ATOM 0 HD13 LEU A 50 79.094 44.917 -11.971 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.697 45.329 -10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.128 46.023 -9.902 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.035 45.006 -8.757 1.00 0.00 H new ATOM 764 N GLU A 51 79.089 41.709 -7.401 1.00 0.00 N ATOM 765 CA GLU A 51 79.817 40.937 -6.402 1.00 0.00 C ATOM 766 C GLU A 51 79.371 39.477 -6.410 1.00 0.00 C ATOM 767 O GLU A 51 80.154 38.576 -6.107 1.00 0.00 O ATOM 768 CB GLU A 51 79.609 41.537 -5.010 1.00 0.00 C ATOM 769 CG GLU A 51 80.881 42.089 -4.388 1.00 0.00 C ATOM 770 CD GLU A 51 81.427 41.198 -3.289 1.00 0.00 C ATOM 771 OE1 GLU A 51 82.192 40.263 -3.610 1.00 0.00 O ATOM 772 OE2 GLU A 51 81.091 41.434 -2.110 1.00 0.00 O ATOM 0 H GLU A 51 78.629 42.543 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 51 80.877 40.976 -6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.870 42.336 -5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.195 40.773 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 51 81.638 42.209 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 51 80.682 43.080 -3.981 1.00 0.00 H new ATOM 779 N TRP A 52 78.110 39.253 -6.758 1.00 0.00 N ATOM 780 CA TRP A 52 77.558 37.903 -6.805 1.00 0.00 C ATOM 781 C TRP A 52 78.154 37.112 -7.965 1.00 0.00 C ATOM 782 O TRP A 52 78.633 35.993 -7.783 1.00 0.00 O ATOM 783 CB TRP A 52 76.036 37.956 -6.937 1.00 0.00 C ATOM 784 CG TRP A 52 75.393 36.602 -6.954 1.00 0.00 C ATOM 785 CD1 TRP A 52 75.029 35.855 -5.870 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.041 35.835 -8.110 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.472 34.669 -6.283 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.467 34.633 -7.653 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.152 36.047 -9.486 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.008 33.648 -8.524 1.00 0.00 C ATOM 791 CZ3 TRP A 52 74.697 35.069 -10.350 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.130 33.883 -9.867 1.00 0.00 C ATOM 0 H TRP A 52 77.450 39.988 -7.012 1.00 0.00 H new ATOM 0 HA TRP A 52 77.817 37.399 -5.874 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.627 38.534 -6.109 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.776 38.485 -7.854 1.00 0.00 H new ATOM 0 HD1 TRP A 52 75.160 36.153 -4.840 1.00 0.00 H new ATOM 0 HE1 TRP A 52 74.119 33.934 -5.669 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.586 36.959 -9.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.572 32.732 -8.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 74.780 35.222 -11.416 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.782 33.139 -10.568 1.00 0.00 H new ATOM 803 N ALA A 53 78.122 37.701 -9.155 1.00 0.00 N ATOM 804 CA ALA A 53 78.662 37.051 -10.344 1.00 0.00 C ATOM 805 C ALA A 53 80.147 36.749 -10.177 1.00 0.00 C ATOM 806 O ALA A 53 80.596 35.634 -10.446 1.00 0.00 O ATOM 807 CB ALA A 53 78.433 37.921 -11.571 1.00 0.00 C ATOM 0 H ALA A 53 77.728 38.627 -9.322 1.00 0.00 H new ATOM 0 HA ALA A 53 78.138 36.105 -10.480 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.841 37.424 -12.451 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.364 38.082 -11.708 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.930 38.881 -11.434 1.00 0.00 H new ATOM 813 N ILE A 54 80.903 37.747 -9.733 1.00 0.00 N ATOM 814 CA ILE A 54 82.338 37.586 -9.531 1.00 0.00 C ATOM 815 C ILE A 54 82.633 36.430 -8.581 1.00 0.00 C ATOM 816 O ILE A 54 83.714 35.841 -8.618 1.00 0.00 O ATOM 817 CB ILE A 54 82.975 38.871 -8.971 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.693 40.053 -9.901 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.473 38.682 -8.786 1.00 0.00 C ATOM 820 CD1 ILE A 54 83.019 41.396 -9.287 1.00 0.00 C ATOM 0 H ILE A 54 80.546 38.675 -9.506 1.00 0.00 H new ATOM 0 HA ILE A 54 82.772 37.371 -10.507 1.00 0.00 H new ATOM 0 HB ILE A 54 82.532 39.084 -7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.272 39.931 -10.816 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.641 40.038 -10.185 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.909 39.599 -8.390 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.653 37.864 -8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.932 38.448 -9.747 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.794 42.187 -10.002 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.421 41.540 -8.387 1.00 0.00 H new ATOM 0 HD13 ILE A 54 84.077 41.431 -9.028 1.00 0.00 H new ATOM 832 N LYS A 55 81.664 36.108 -7.731 1.00 0.00 N ATOM 833 CA LYS A 55 81.817 35.021 -6.772 1.00 0.00 C ATOM 834 C LYS A 55 81.408 33.688 -7.391 1.00 0.00 C ATOM 835 O LYS A 55 82.237 32.796 -7.568 1.00 0.00 O ATOM 836 CB LYS A 55 80.977 35.293 -5.522 1.00 0.00 C ATOM 837 CG LYS A 55 80.766 34.066 -4.652 1.00 0.00 C ATOM 838 CD LYS A 55 80.743 34.428 -3.176 1.00 0.00 C ATOM 839 CE LYS A 55 82.108 34.232 -2.533 1.00 0.00 C ATOM 840 NZ LYS A 55 82.002 33.597 -1.190 1.00 0.00 N ATOM 0 H LYS A 55 80.764 36.585 -7.687 1.00 0.00 H new ATOM 0 HA LYS A 55 82.868 34.964 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.463 36.069 -4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.006 35.684 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 55 79.828 33.583 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.562 33.345 -4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 55 80.430 35.466 -3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 55 80.005 33.813 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 55 82.729 33.612 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.608 35.196 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 82.953 33.481 -0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 81.431 34.201 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 81.548 32.666 -1.281 1.00 0.00 H new ATOM 854 N GLU A 56 80.127 33.561 -7.720 1.00 0.00 N ATOM 855 CA GLU A 56 79.610 32.337 -8.320 1.00 0.00 C ATOM 856 C GLU A 56 80.443 31.933 -9.534 1.00 0.00 C ATOM 857 O GLU A 56 81.104 30.895 -9.528 1.00 0.00 O ATOM 858 CB GLU A 56 78.147 32.521 -8.730 1.00 0.00 C ATOM 859 CG GLU A 56 77.355 31.225 -8.757 1.00 0.00 C ATOM 860 CD GLU A 56 78.033 30.144 -9.576 1.00 0.00 C ATOM 861 OE1 GLU A 56 77.790 30.085 -10.800 1.00 0.00 O ATOM 862 OE2 GLU A 56 78.807 29.356 -8.993 1.00 0.00 O ATOM 0 H GLU A 56 79.428 34.291 -7.581 1.00 0.00 H new ATOM 0 HA GLU A 56 79.674 31.543 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.669 33.215 -8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.110 32.980 -9.718 1.00 0.00 H new ATOM 0 HG2 GLU A 56 77.214 30.868 -7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 56 76.364 31.418 -9.167 1.00 0.00 H new ATOM 869 N TYR A 57 80.403 32.760 -10.572 1.00 0.00 N ATOM 870 CA TYR A 57 81.151 32.489 -11.794 1.00 0.00 C ATOM 871 C TYR A 57 82.651 32.442 -11.517 1.00 0.00 C ATOM 872 O TYR A 57 83.406 31.783 -12.231 1.00 0.00 O ATOM 873 CB TYR A 57 80.849 33.554 -12.849 1.00 0.00 C ATOM 874 CG TYR A 57 79.431 33.504 -13.371 1.00 0.00 C ATOM 875 CD1 TYR A 57 78.399 34.145 -12.697 1.00 0.00 C ATOM 876 CD2 TYR A 57 79.123 32.817 -14.539 1.00 0.00 C ATOM 877 CE1 TYR A 57 77.101 34.102 -13.170 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.829 32.770 -15.021 1.00 0.00 C ATOM 879 CZ TYR A 57 76.822 33.413 -14.332 1.00 0.00 C ATOM 880 OH TYR A 57 75.531 33.368 -14.807 1.00 0.00 O ATOM 0 H TYR A 57 79.861 33.624 -10.592 1.00 0.00 H new ATOM 0 HA TYR A 57 80.839 31.515 -12.171 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.036 34.539 -12.422 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.539 33.432 -13.684 1.00 0.00 H new ATOM 0 HD1 TYR A 57 78.615 34.686 -11.788 1.00 0.00 H new ATOM 0 HD2 TYR A 57 79.909 32.311 -15.080 1.00 0.00 H new ATOM 0 HE1 TYR A 57 76.310 34.605 -12.633 1.00 0.00 H new ATOM 0 HE2 TYR A 57 77.607 32.233 -15.932 1.00 0.00 H new ATOM 0 HH TYR A 57 75.505 32.844 -15.635 1.00 0.00 H new ATOM 890 N SER A 58 83.074 33.148 -10.473 1.00 0.00 N ATOM 891 CA SER A 58 84.484 33.192 -10.101 1.00 0.00 C ATOM 892 C SER A 58 85.318 33.830 -11.207 1.00 0.00 C ATOM 893 O SER A 58 86.235 33.209 -11.747 1.00 0.00 O ATOM 894 CB SER A 58 84.999 31.781 -9.808 1.00 0.00 C ATOM 895 OG SER A 58 84.065 31.048 -9.034 1.00 0.00 O ATOM 0 H SER A 58 82.461 33.697 -9.870 1.00 0.00 H new ATOM 0 HA SER A 58 84.579 33.801 -9.202 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.189 31.258 -10.745 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.949 31.840 -9.277 1.00 0.00 H new ATOM 0 HG SER A 58 83.516 31.668 -8.510 1.00 0.00 H new ATOM 901 N LEU A 59 84.993 35.074 -11.541 1.00 0.00 N ATOM 902 CA LEU A 59 85.712 35.799 -12.583 1.00 0.00 C ATOM 903 C LEU A 59 87.030 36.353 -12.052 1.00 0.00 C ATOM 904 O LEU A 59 87.436 36.047 -10.931 1.00 0.00 O ATOM 905 CB LEU A 59 84.849 36.939 -13.127 1.00 0.00 C ATOM 906 CG LEU A 59 83.410 36.575 -13.496 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.536 37.819 -13.530 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.370 35.855 -14.836 1.00 0.00 C ATOM 0 H LEU A 59 84.236 35.602 -11.106 1.00 0.00 H new ATOM 0 HA LEU A 59 85.932 35.101 -13.390 1.00 0.00 H new ATOM 0 HB2 LEU A 59 84.822 37.734 -12.382 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.337 37.347 -14.012 1.00 0.00 H new ATOM 0 HG LEU A 59 83.018 35.903 -12.733 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.516 37.540 -13.794 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.540 38.293 -12.549 1.00 0.00 H new ATOM 0 HD13 LEU A 59 82.925 38.517 -14.272 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.339 35.603 -15.083 1.00 0.00 H new ATOM 0 HD22 LEU A 59 83.781 36.503 -15.610 1.00 0.00 H new ATOM 0 HD23 LEU A 59 83.962 34.942 -14.776 1.00 0.00 H new ATOM 920 N MET A 60 87.692 37.171 -12.863 1.00 0.00 N ATOM 921 CA MET A 60 88.963 37.771 -12.472 1.00 0.00 C ATOM 922 C MET A 60 89.218 39.058 -13.250 1.00 0.00 C ATOM 923 O MET A 60 88.903 39.150 -14.436 1.00 0.00 O ATOM 924 CB MET A 60 90.109 36.785 -12.704 1.00 0.00 C ATOM 925 CG MET A 60 90.229 36.321 -14.147 1.00 0.00 C ATOM 926 SD MET A 60 91.791 35.485 -14.480 1.00 0.00 S ATOM 927 CE MET A 60 91.673 35.240 -16.250 1.00 0.00 C ATOM 0 H MET A 60 87.370 37.434 -13.795 1.00 0.00 H new ATOM 0 HA MET A 60 88.911 38.013 -11.411 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.046 37.252 -12.402 1.00 0.00 H new ATOM 0 HB3 MET A 60 89.965 35.916 -12.062 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.404 35.647 -14.378 1.00 0.00 H new ATOM 0 HG3 MET A 60 90.133 37.181 -14.810 1.00 0.00 H new ATOM 0 HE1 MET A 60 92.569 34.732 -16.608 1.00 0.00 H new ATOM 0 HE2 MET A 60 90.797 34.632 -16.476 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.582 36.206 -16.746 1.00 0.00 H new ATOM 937 N GLU A 61 89.791 40.049 -12.574 1.00 0.00 N ATOM 938 CA GLU A 61 90.087 41.331 -13.203 1.00 0.00 C ATOM 939 C GLU A 61 88.818 41.969 -13.761 1.00 0.00 C ATOM 940 O GLU A 61 88.454 41.744 -14.915 1.00 0.00 O ATOM 941 CB GLU A 61 91.115 41.150 -14.322 1.00 0.00 C ATOM 942 CG GLU A 61 92.398 40.476 -13.866 1.00 0.00 C ATOM 943 CD GLU A 61 93.524 40.624 -14.872 1.00 0.00 C ATOM 944 OE1 GLU A 61 94.151 41.704 -14.904 1.00 0.00 O ATOM 945 OE2 GLU A 61 93.777 39.662 -15.626 1.00 0.00 O ATOM 0 H GLU A 61 90.059 39.989 -11.592 1.00 0.00 H new ATOM 0 HA GLU A 61 90.501 41.993 -12.443 1.00 0.00 H new ATOM 0 HB2 GLU A 61 90.669 40.559 -15.122 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.357 42.126 -14.743 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.709 40.903 -12.912 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.206 39.417 -13.694 1.00 0.00 H new ATOM 952 N ILE A 62 88.151 42.766 -12.933 1.00 0.00 N ATOM 953 CA ILE A 62 86.924 43.437 -13.344 1.00 0.00 C ATOM 954 C ILE A 62 86.724 44.738 -12.573 1.00 0.00 C ATOM 955 O ILE A 62 86.964 44.800 -11.367 1.00 0.00 O ATOM 956 CB ILE A 62 85.692 42.536 -13.134 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.457 43.165 -13.782 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.456 42.298 -11.651 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.295 42.207 -13.924 1.00 0.00 C ATOM 0 H ILE A 62 88.439 42.963 -11.975 1.00 0.00 H new ATOM 0 HA ILE A 62 87.026 43.658 -14.406 1.00 0.00 H new ATOM 0 HB ILE A 62 85.879 41.574 -13.610 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.141 44.021 -13.187 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.727 43.544 -14.767 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.582 41.660 -11.519 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.329 41.811 -11.217 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.287 43.252 -11.152 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.455 42.721 -14.391 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.594 41.362 -14.545 1.00 0.00 H new ATOM 0 HD13 ILE A 62 82.998 41.847 -12.939 1.00 0.00 H new ATOM 971 N ASP A 63 86.283 45.774 -13.278 1.00 0.00 N ATOM 972 CA ASP A 63 86.048 47.074 -12.660 1.00 0.00 C ATOM 973 C ASP A 63 84.805 47.039 -11.776 1.00 0.00 C ATOM 974 O ASP A 63 83.760 46.525 -12.175 1.00 0.00 O ATOM 975 CB ASP A 63 85.895 48.153 -13.733 1.00 0.00 C ATOM 976 CG ASP A 63 86.686 49.405 -13.413 1.00 0.00 C ATOM 977 OD1 ASP A 63 87.902 49.429 -13.698 1.00 0.00 O ATOM 978 OD2 ASP A 63 86.089 50.363 -12.877 1.00 0.00 O ATOM 0 H ASP A 63 86.081 45.739 -14.277 1.00 0.00 H new ATOM 0 HA ASP A 63 86.909 47.313 -12.036 1.00 0.00 H new ATOM 0 HB2 ASP A 63 86.223 47.755 -14.693 1.00 0.00 H new ATOM 0 HB3 ASP A 63 84.841 48.410 -13.838 1.00 0.00 H new ATOM 983 N THR A 64 84.927 47.587 -10.571 1.00 0.00 N ATOM 984 CA THR A 64 83.815 47.617 -9.629 1.00 0.00 C ATOM 985 C THR A 64 83.262 49.029 -9.475 1.00 0.00 C ATOM 986 O THR A 64 82.079 49.215 -9.190 1.00 0.00 O ATOM 987 CB THR A 64 84.237 47.089 -8.244 1.00 0.00 C ATOM 988 OG1 THR A 64 85.666 47.073 -8.142 1.00 0.00 O ATOM 989 CG2 THR A 64 83.691 45.690 -8.009 1.00 0.00 C ATOM 0 H THR A 64 85.785 48.016 -10.224 1.00 0.00 H new ATOM 0 HA THR A 64 83.039 46.969 -10.036 1.00 0.00 H new ATOM 0 HB THR A 64 83.826 47.754 -7.484 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.927 46.738 -7.259 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.002 45.339 -7.025 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.602 45.711 -8.059 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.077 45.016 -8.774 1.00 0.00 H new ATOM 997 N SER A 65 84.125 50.022 -9.666 1.00 0.00 N ATOM 998 CA SER A 65 83.723 51.418 -9.545 1.00 0.00 C ATOM 999 C SER A 65 82.769 51.808 -10.670 1.00 0.00 C ATOM 1000 O SER A 65 81.911 52.674 -10.500 1.00 0.00 O ATOM 1001 CB SER A 65 84.952 52.328 -9.564 1.00 0.00 C ATOM 1002 OG SER A 65 84.586 53.684 -9.372 1.00 0.00 O ATOM 0 H SER A 65 85.107 49.885 -9.905 1.00 0.00 H new ATOM 0 HA SER A 65 83.204 51.540 -8.594 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.647 52.022 -8.782 1.00 0.00 H new ATOM 0 HB3 SER A 65 85.474 52.220 -10.515 1.00 0.00 H new ATOM 0 HG SER A 65 85.389 54.245 -9.387 1.00 0.00 H new ATOM 1008 N PHE A 66 82.927 51.162 -11.821 1.00 0.00 N ATOM 1009 CA PHE A 66 82.081 51.441 -12.976 1.00 0.00 C ATOM 1010 C PHE A 66 80.622 51.117 -12.673 1.00 0.00 C ATOM 1011 O PHE A 66 79.710 51.698 -13.260 1.00 0.00 O ATOM 1012 CB PHE A 66 82.554 50.635 -14.187 1.00 0.00 C ATOM 1013 CG PHE A 66 82.795 51.474 -15.409 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.739 52.488 -15.395 1.00 0.00 C ATOM 1015 CD2 PHE A 66 82.076 51.249 -16.573 1.00 0.00 C ATOM 1016 CE1 PHE A 66 83.962 53.262 -16.518 1.00 0.00 C ATOM 1017 CE2 PHE A 66 82.295 52.020 -17.699 1.00 0.00 C ATOM 1018 CZ PHE A 66 83.240 53.027 -17.672 1.00 0.00 C ATOM 0 H PHE A 66 83.632 50.442 -11.979 1.00 0.00 H new ATOM 0 HA PHE A 66 82.158 52.504 -13.203 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.475 50.112 -13.928 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.809 49.874 -14.420 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.307 52.676 -14.496 1.00 0.00 H new ATOM 0 HD2 PHE A 66 81.336 50.462 -16.600 1.00 0.00 H new ATOM 0 HE1 PHE A 66 84.700 54.050 -16.493 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.728 51.835 -18.599 1.00 0.00 H new ATOM 0 HZ PHE A 66 83.414 53.629 -18.551 1.00 0.00 H new ATOM 1028 N PHE A 67 80.409 50.183 -11.751 1.00 0.00 N ATOM 1029 CA PHE A 67 79.060 49.779 -11.370 1.00 0.00 C ATOM 1030 C PHE A 67 78.723 50.268 -9.965 1.00 0.00 C ATOM 1031 O PHE A 67 77.988 49.610 -9.228 1.00 0.00 O ATOM 1032 CB PHE A 67 78.923 48.256 -11.440 1.00 0.00 C ATOM 1033 CG PHE A 67 79.455 47.664 -12.713 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.656 47.585 -13.843 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.753 47.185 -12.781 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.142 47.041 -15.016 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.245 46.640 -13.952 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.438 46.566 -15.070 1.00 0.00 C ATOM 0 H PHE A 67 81.153 49.692 -11.254 1.00 0.00 H new ATOM 0 HA PHE A 67 78.359 50.232 -12.071 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.450 47.813 -10.595 1.00 0.00 H new ATOM 0 HB3 PHE A 67 77.871 47.989 -11.336 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.641 47.953 -13.806 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.388 47.238 -11.909 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.510 46.987 -15.890 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.260 46.272 -13.993 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.819 46.138 -15.985 1.00 0.00 H new ATOM 1048 N GLN A 68 79.265 51.425 -9.602 1.00 0.00 N ATOM 1049 CA GLN A 68 79.022 52.002 -8.284 1.00 0.00 C ATOM 1050 C GLN A 68 77.767 52.868 -8.292 1.00 0.00 C ATOM 1051 O GLN A 68 77.094 53.012 -7.272 1.00 0.00 O ATOM 1052 CB GLN A 68 80.226 52.833 -7.839 1.00 0.00 C ATOM 1053 CG GLN A 68 80.346 54.166 -8.560 1.00 0.00 C ATOM 1054 CD GLN A 68 79.770 55.317 -7.758 1.00 0.00 C ATOM 1055 OE1 GLN A 68 78.810 55.146 -7.007 1.00 0.00 O ATOM 1056 NE2 GLN A 68 80.356 56.499 -7.915 1.00 0.00 N ATOM 0 H GLN A 68 79.875 51.982 -10.201 1.00 0.00 H new ATOM 0 HA GLN A 68 78.873 51.184 -7.579 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.155 53.015 -6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.136 52.256 -8.005 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.396 54.366 -8.773 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.832 54.104 -9.519 1.00 0.00 H new ATOM 0 HE21 GLN A 68 81.150 56.595 -8.549 1.00 0.00 H new ATOM 0 HE22 GLN A 68 80.012 57.311 -7.402 1.00 0.00 H new ATOM 1065 N ASN A 69 77.457 53.442 -9.450 1.00 0.00 N ATOM 1066 CA ASN A 69 76.282 54.295 -9.590 1.00 0.00 C ATOM 1067 C ASN A 69 75.710 54.205 -11.001 1.00 0.00 C ATOM 1068 O ASN A 69 75.067 55.138 -11.482 1.00 0.00 O ATOM 1069 CB ASN A 69 76.638 55.746 -9.263 1.00 0.00 C ATOM 1070 CG ASN A 69 77.812 56.252 -10.080 1.00 0.00 C ATOM 1071 OD1 ASN A 69 78.296 55.567 -10.981 1.00 0.00 O ATOM 1072 ND2 ASN A 69 78.275 57.456 -9.766 1.00 0.00 N ATOM 0 H ASN A 69 78.003 53.332 -10.305 1.00 0.00 H new ATOM 0 HA ASN A 69 75.525 53.947 -8.887 1.00 0.00 H new ATOM 0 HB2 ASN A 69 75.771 56.380 -9.447 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.874 55.829 -8.202 1.00 0.00 H new ATOM 0 HD21 ASN A 69 79.064 57.849 -10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 69 77.842 57.988 -9.011 1.00 0.00 H new ATOM 1079 N MET A 70 75.948 53.076 -11.660 1.00 0.00 N ATOM 1080 CA MET A 70 75.454 52.863 -13.016 1.00 0.00 C ATOM 1081 C MET A 70 73.964 52.536 -13.007 1.00 0.00 C ATOM 1082 O MET A 70 73.509 51.692 -12.235 1.00 0.00 O ATOM 1083 CB MET A 70 76.232 51.734 -13.693 1.00 0.00 C ATOM 1084 CG MET A 70 75.935 51.597 -15.178 1.00 0.00 C ATOM 1085 SD MET A 70 77.276 52.213 -16.214 1.00 0.00 S ATOM 1086 CE MET A 70 78.187 50.702 -16.523 1.00 0.00 C ATOM 0 H MET A 70 76.480 52.294 -11.277 1.00 0.00 H new ATOM 0 HA MET A 70 75.602 53.785 -13.579 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.300 51.908 -13.559 1.00 0.00 H new ATOM 0 HB3 MET A 70 75.998 50.793 -13.196 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.752 50.548 -15.413 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.020 52.141 -15.413 1.00 0.00 H new ATOM 0 HE1 MET A 70 79.050 50.920 -17.153 1.00 0.00 H new ATOM 0 HE2 MET A 70 78.526 50.281 -15.576 1.00 0.00 H new ATOM 0 HE3 MET A 70 77.541 49.984 -17.028 1.00 0.00 H new ATOM 1096 N ASP A 71 73.211 53.210 -13.869 1.00 0.00 N ATOM 1097 CA ASP A 71 71.772 52.990 -13.961 1.00 0.00 C ATOM 1098 C ASP A 71 71.469 51.594 -14.497 1.00 0.00 C ATOM 1099 O ASP A 71 72.111 51.126 -15.436 1.00 0.00 O ATOM 1100 CB ASP A 71 71.130 54.046 -14.862 1.00 0.00 C ATOM 1101 CG ASP A 71 71.709 55.429 -14.636 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.916 55.801 -13.461 1.00 0.00 O ATOM 1103 OD2 ASP A 71 71.955 56.139 -15.633 1.00 0.00 O ATOM 0 H ASP A 71 73.573 53.913 -14.514 1.00 0.00 H new ATOM 0 HA ASP A 71 71.351 53.074 -12.959 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.270 53.763 -15.905 1.00 0.00 H new ATOM 0 HB3 ASP A 71 70.056 54.071 -14.679 1.00 0.00 H new ATOM 1108 N GLY A 72 70.486 50.934 -13.892 1.00 0.00 N ATOM 1109 CA GLY A 72 70.115 49.598 -14.322 1.00 0.00 C ATOM 1110 C GLY A 72 69.810 49.530 -15.805 1.00 0.00 C ATOM 1111 O GLY A 72 70.073 48.518 -16.455 1.00 0.00 O ATOM 0 H GLY A 72 69.940 51.300 -13.112 1.00 0.00 H new ATOM 0 HA2 GLY A 72 70.925 48.907 -14.089 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.242 49.268 -13.759 1.00 0.00 H new ATOM 1115 N LYS A 73 69.251 50.609 -16.343 1.00 0.00 N ATOM 1116 CA LYS A 73 68.908 50.668 -17.758 1.00 0.00 C ATOM 1117 C LYS A 73 70.164 50.750 -18.620 1.00 0.00 C ATOM 1118 O LYS A 73 70.164 50.326 -19.775 1.00 0.00 O ATOM 1119 CB LYS A 73 68.007 51.874 -18.036 1.00 0.00 C ATOM 1120 CG LYS A 73 66.538 51.515 -18.180 1.00 0.00 C ATOM 1121 CD LYS A 73 65.965 52.026 -19.491 1.00 0.00 C ATOM 1122 CE LYS A 73 64.455 52.190 -19.413 1.00 0.00 C ATOM 1123 NZ LYS A 73 64.069 53.440 -18.701 1.00 0.00 N ATOM 0 H LYS A 73 69.026 51.455 -15.819 1.00 0.00 H new ATOM 0 HA LYS A 73 68.372 49.754 -18.014 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.119 52.595 -17.226 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.343 52.366 -18.949 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.420 50.433 -18.128 1.00 0.00 H new ATOM 0 HG3 LYS A 73 65.976 51.937 -17.347 1.00 0.00 H new ATOM 0 HD2 LYS A 73 66.423 52.983 -19.741 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.216 51.333 -20.294 1.00 0.00 H new ATOM 0 HE2 LYS A 73 64.039 52.202 -20.420 1.00 0.00 H new ATOM 0 HE3 LYS A 73 64.022 51.331 -18.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 63.098 53.348 -18.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 64.720 53.602 -17.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 64.120 54.244 -19.359 1.00 0.00 H new ATOM 1137 N GLU A 74 71.233 51.297 -18.049 1.00 0.00 N ATOM 1138 CA GLU A 74 72.496 51.433 -18.766 1.00 0.00 C ATOM 1139 C GLU A 74 73.174 50.077 -18.936 1.00 0.00 C ATOM 1140 O GLU A 74 73.823 49.817 -19.950 1.00 0.00 O ATOM 1141 CB GLU A 74 73.428 52.393 -18.023 1.00 0.00 C ATOM 1142 CG GLU A 74 73.725 53.670 -18.791 1.00 0.00 C ATOM 1143 CD GLU A 74 74.723 54.561 -18.078 1.00 0.00 C ATOM 1144 OE1 GLU A 74 74.453 54.945 -16.920 1.00 0.00 O ATOM 1145 OE2 GLU A 74 75.772 54.875 -18.677 1.00 0.00 O ATOM 0 H GLU A 74 71.250 51.653 -17.093 1.00 0.00 H new ATOM 0 HA GLU A 74 72.282 51.838 -19.755 1.00 0.00 H new ATOM 0 HB2 GLU A 74 72.979 52.652 -17.064 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.366 51.882 -17.808 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.112 53.415 -19.778 1.00 0.00 H new ATOM 0 HG3 GLU A 74 72.797 54.221 -18.945 1.00 0.00 H new ATOM 1152 N LEU A 75 73.019 49.215 -17.936 1.00 0.00 N ATOM 1153 CA LEU A 75 73.616 47.885 -17.974 1.00 0.00 C ATOM 1154 C LEU A 75 73.232 47.151 -19.254 1.00 0.00 C ATOM 1155 O LEU A 75 74.095 46.780 -20.051 1.00 0.00 O ATOM 1156 CB LEU A 75 73.175 47.072 -16.755 1.00 0.00 C ATOM 1157 CG LEU A 75 74.272 46.725 -15.747 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.867 47.990 -15.150 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.723 45.823 -14.652 1.00 0.00 C ATOM 0 H LEU A 75 72.485 49.414 -17.090 1.00 0.00 H new ATOM 0 HA LEU A 75 74.700 48.000 -17.955 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.395 47.628 -16.235 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.725 46.143 -17.106 1.00 0.00 H new ATOM 0 HG LEU A 75 75.063 46.188 -16.270 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.646 47.724 -14.435 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.297 48.600 -15.944 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.086 48.555 -14.642 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.517 45.586 -13.944 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.913 46.334 -14.132 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.345 44.902 -15.095 1.00 0.00 H new ATOM 1171 N CYS A 76 71.934 46.948 -19.447 1.00 0.00 N ATOM 1172 CA CYS A 76 71.435 46.259 -20.632 1.00 0.00 C ATOM 1173 C CYS A 76 71.769 47.044 -21.897 1.00 0.00 C ATOM 1174 O CYS A 76 71.891 46.472 -22.981 1.00 0.00 O ATOM 1175 CB CYS A 76 69.923 46.054 -20.529 1.00 0.00 C ATOM 1176 SG CYS A 76 68.963 47.585 -20.596 1.00 0.00 S ATOM 0 H CYS A 76 71.207 47.251 -18.798 1.00 0.00 H new ATOM 0 HA CYS A 76 71.923 45.286 -20.690 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.600 45.400 -21.339 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.700 45.539 -19.595 1.00 0.00 H new ATOM 0 HG CYS A 76 69.702 48.578 -20.199 1.00 0.00 H new ATOM 1182 N LYS A 77 71.914 48.356 -21.752 1.00 0.00 N ATOM 1183 CA LYS A 77 72.234 49.221 -22.882 1.00 0.00 C ATOM 1184 C LYS A 77 73.655 48.969 -23.374 1.00 0.00 C ATOM 1185 O LYS A 77 73.924 49.019 -24.574 1.00 0.00 O ATOM 1186 CB LYS A 77 72.072 50.691 -22.487 1.00 0.00 C ATOM 1187 CG LYS A 77 70.840 51.348 -23.085 1.00 0.00 C ATOM 1188 CD LYS A 77 70.844 52.851 -22.858 1.00 0.00 C ATOM 1189 CE LYS A 77 69.445 53.376 -22.576 1.00 0.00 C ATOM 1190 NZ LYS A 77 69.437 54.358 -21.457 1.00 0.00 N ATOM 0 H LYS A 77 71.815 48.845 -20.862 1.00 0.00 H new ATOM 0 HA LYS A 77 71.542 48.991 -23.692 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.021 50.763 -21.401 1.00 0.00 H new ATOM 0 HB3 LYS A 77 72.957 51.243 -22.802 1.00 0.00 H new ATOM 0 HG2 LYS A 77 70.799 51.141 -24.154 1.00 0.00 H new ATOM 0 HG3 LYS A 77 69.944 50.914 -22.641 1.00 0.00 H new ATOM 0 HD2 LYS A 77 71.500 53.092 -22.021 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.251 53.352 -23.736 1.00 0.00 H new ATOM 0 HE2 LYS A 77 69.045 53.846 -23.475 1.00 0.00 H new ATOM 0 HE3 LYS A 77 68.786 52.542 -22.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 68.466 54.692 -21.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 69.795 53.903 -20.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 70.045 55.166 -21.700 1.00 0.00 H new ATOM 1204 N MET A 78 74.561 48.699 -22.440 1.00 0.00 N ATOM 1205 CA MET A 78 75.955 48.437 -22.781 1.00 0.00 C ATOM 1206 C MET A 78 76.076 47.195 -23.658 1.00 0.00 C ATOM 1207 O MET A 78 75.473 46.161 -23.373 1.00 0.00 O ATOM 1208 CB MET A 78 76.788 48.261 -21.510 1.00 0.00 C ATOM 1209 CG MET A 78 76.641 49.407 -20.523 1.00 0.00 C ATOM 1210 SD MET A 78 78.218 50.178 -20.112 1.00 0.00 S ATOM 1211 CE MET A 78 79.170 48.750 -19.600 1.00 0.00 C ATOM 0 H MET A 78 74.355 48.656 -21.442 1.00 0.00 H new ATOM 0 HA MET A 78 76.334 49.293 -23.340 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.497 47.331 -21.021 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.838 48.161 -21.785 1.00 0.00 H new ATOM 0 HG2 MET A 78 75.972 50.159 -20.942 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.173 49.037 -19.610 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.006 49.073 -18.979 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.534 48.074 -19.029 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.551 48.232 -20.480 1.00 0.00 H new ATOM 1221 N ASN A 79 76.859 47.305 -24.727 1.00 0.00 N ATOM 1222 CA ASN A 79 77.058 46.191 -25.647 1.00 0.00 C ATOM 1223 C ASN A 79 78.380 45.483 -25.365 1.00 0.00 C ATOM 1224 O ASN A 79 79.045 45.759 -24.367 1.00 0.00 O ATOM 1225 CB ASN A 79 77.029 46.685 -27.094 1.00 0.00 C ATOM 1226 CG ASN A 79 76.246 45.761 -28.006 1.00 0.00 C ATOM 1227 OD1 ASN A 79 76.801 45.164 -28.928 1.00 0.00 O ATOM 1228 ND2 ASN A 79 74.948 45.638 -27.751 1.00 0.00 N ATOM 0 H ASN A 79 77.366 48.154 -24.977 1.00 0.00 H new ATOM 0 HA ASN A 79 76.246 45.479 -25.498 1.00 0.00 H new ATOM 0 HB2 ASN A 79 76.588 47.681 -27.126 1.00 0.00 H new ATOM 0 HB3 ASN A 79 78.050 46.776 -27.464 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.370 45.029 -28.330 1.00 0.00 H new ATOM 0 HD22 ASN A 79 74.530 46.152 -26.976 1.00 0.00 H new ATOM 1235 N LYS A 80 78.755 44.568 -26.253 1.00 0.00 N ATOM 1236 CA LYS A 80 79.998 43.821 -26.103 1.00 0.00 C ATOM 1237 C LYS A 80 81.192 44.765 -26.004 1.00 0.00 C ATOM 1238 O LYS A 80 82.156 44.487 -25.291 1.00 0.00 O ATOM 1239 CB LYS A 80 80.188 42.865 -27.283 1.00 0.00 C ATOM 1240 CG LYS A 80 81.386 41.944 -27.133 1.00 0.00 C ATOM 1241 CD LYS A 80 81.034 40.509 -27.489 1.00 0.00 C ATOM 1242 CE LYS A 80 80.408 39.780 -26.310 1.00 0.00 C ATOM 1243 NZ LYS A 80 79.597 38.611 -26.749 1.00 0.00 N ATOM 0 H LYS A 80 78.216 44.326 -27.084 1.00 0.00 H new ATOM 0 HA LYS A 80 79.936 43.243 -25.181 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.288 42.261 -27.399 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.301 43.448 -28.197 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.196 42.291 -27.775 1.00 0.00 H new ATOM 0 HG3 LYS A 80 81.752 41.986 -26.107 1.00 0.00 H new ATOM 0 HD2 LYS A 80 80.343 40.501 -28.332 1.00 0.00 H new ATOM 0 HD3 LYS A 80 81.933 39.981 -27.809 1.00 0.00 H new ATOM 0 HE2 LYS A 80 81.193 39.444 -25.632 1.00 0.00 H new ATOM 0 HE3 LYS A 80 79.777 40.470 -25.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 78.685 38.614 -26.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.431 38.669 -27.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 80.108 37.732 -26.531 1.00 0.00 H new ATOM 1257 N GLU A 81 81.119 45.882 -26.721 1.00 0.00 N ATOM 1258 CA GLU A 81 82.194 46.867 -26.711 1.00 0.00 C ATOM 1259 C GLU A 81 82.198 47.655 -25.405 1.00 0.00 C ATOM 1260 O GLU A 81 83.235 47.798 -24.757 1.00 0.00 O ATOM 1261 CB GLU A 81 82.050 47.824 -27.897 1.00 0.00 C ATOM 1262 CG GLU A 81 81.744 47.124 -29.210 1.00 0.00 C ATOM 1263 CD GLU A 81 82.040 47.993 -30.417 1.00 0.00 C ATOM 1264 OE1 GLU A 81 81.647 49.178 -30.404 1.00 0.00 O ATOM 1265 OE2 GLU A 81 82.663 47.488 -31.374 1.00 0.00 O ATOM 0 H GLU A 81 80.327 46.127 -27.316 1.00 0.00 H new ATOM 0 HA GLU A 81 83.141 46.334 -26.796 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.255 48.538 -27.682 1.00 0.00 H new ATOM 0 HB3 GLU A 81 82.972 48.396 -28.006 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.331 46.208 -29.274 1.00 0.00 H new ATOM 0 HG3 GLU A 81 80.694 46.832 -29.226 1.00 0.00 H new ATOM 1272 N ASP A 82 81.031 48.165 -25.025 1.00 0.00 N ATOM 1273 CA ASP A 82 80.899 48.939 -23.796 1.00 0.00 C ATOM 1274 C ASP A 82 81.387 48.137 -22.594 1.00 0.00 C ATOM 1275 O ASP A 82 81.962 48.691 -21.657 1.00 0.00 O ATOM 1276 CB ASP A 82 79.443 49.360 -23.588 1.00 0.00 C ATOM 1277 CG ASP A 82 78.917 50.208 -24.729 1.00 0.00 C ATOM 1278 OD1 ASP A 82 78.909 49.718 -25.878 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.512 51.361 -24.473 1.00 0.00 O ATOM 0 H ASP A 82 80.163 48.056 -25.550 1.00 0.00 H new ATOM 0 HA ASP A 82 81.517 49.832 -23.889 1.00 0.00 H new ATOM 0 HB2 ASP A 82 78.822 48.470 -23.484 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.359 49.918 -22.656 1.00 0.00 H new ATOM 1284 N PHE A 83 81.151 46.829 -22.626 1.00 0.00 N ATOM 1285 CA PHE A 83 81.565 45.951 -21.538 1.00 0.00 C ATOM 1286 C PHE A 83 83.043 45.594 -21.659 1.00 0.00 C ATOM 1287 O PHE A 83 83.707 45.304 -20.663 1.00 0.00 O ATOM 1288 CB PHE A 83 80.719 44.675 -21.535 1.00 0.00 C ATOM 1289 CG PHE A 83 79.454 44.797 -20.736 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.494 45.176 -19.404 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.224 44.532 -21.316 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.331 45.289 -18.665 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.058 44.645 -20.583 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.111 45.022 -19.256 1.00 0.00 C ATOM 0 H PHE A 83 80.675 46.354 -23.393 1.00 0.00 H new ATOM 0 HA PHE A 83 81.414 46.482 -20.598 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.466 44.414 -22.563 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.315 43.855 -21.135 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.445 45.386 -18.937 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.176 44.234 -22.353 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.376 45.585 -17.627 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.105 44.438 -21.048 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.201 45.108 -18.681 1.00 0.00 H new ATOM 1304 N LEU A 84 83.553 45.617 -22.886 1.00 0.00 N ATOM 1305 CA LEU A 84 84.953 45.295 -23.139 1.00 0.00 C ATOM 1306 C LEU A 84 85.874 46.312 -22.472 1.00 0.00 C ATOM 1307 O LEU A 84 87.001 45.989 -22.096 1.00 0.00 O ATOM 1308 CB LEU A 84 85.224 45.256 -24.644 1.00 0.00 C ATOM 1309 CG LEU A 84 85.155 43.878 -25.303 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.053 44.012 -26.814 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.369 43.043 -24.920 1.00 0.00 C ATOM 0 H LEU A 84 83.018 45.855 -23.721 1.00 0.00 H new ATOM 0 HA LEU A 84 85.157 44.312 -22.714 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.506 45.910 -25.139 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.214 45.674 -24.826 1.00 0.00 H new ATOM 0 HG LEU A 84 84.260 43.369 -24.944 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.005 43.021 -27.265 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.153 44.571 -27.070 1.00 0.00 H new ATOM 0 HD13 LEU A 84 85.928 44.541 -27.192 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.304 42.065 -25.398 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.277 43.548 -25.250 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.397 42.917 -23.838 1.00 0.00 H new ATOM 1323 N ARG A 85 85.385 47.539 -22.325 1.00 0.00 N ATOM 1324 CA ARG A 85 86.164 48.602 -21.702 1.00 0.00 C ATOM 1325 C ARG A 85 86.247 48.401 -20.192 1.00 0.00 C ATOM 1326 O ARG A 85 87.201 48.839 -19.549 1.00 0.00 O ATOM 1327 CB ARG A 85 85.546 49.966 -22.013 1.00 0.00 C ATOM 1328 CG ARG A 85 85.515 50.297 -23.496 1.00 0.00 C ATOM 1329 CD ARG A 85 84.497 51.384 -23.804 1.00 0.00 C ATOM 1330 NE ARG A 85 83.942 51.249 -25.148 1.00 0.00 N ATOM 1331 CZ ARG A 85 84.632 51.497 -26.256 1.00 0.00 C ATOM 1332 NH1 ARG A 85 85.896 51.889 -26.180 1.00 0.00 N ATOM 1333 NH2 ARG A 85 84.057 51.352 -27.443 1.00 0.00 N ATOM 0 H ARG A 85 84.453 47.821 -22.629 1.00 0.00 H new ATOM 0 HA ARG A 85 87.173 48.567 -22.112 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.529 49.992 -21.622 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.109 50.738 -21.489 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.504 50.622 -23.818 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.274 49.399 -24.065 1.00 0.00 H new ATOM 0 HD2 ARG A 85 83.690 51.342 -23.073 1.00 0.00 H new ATOM 0 HD3 ARG A 85 84.969 52.361 -23.703 1.00 0.00 H new ATOM 0 HE ARG A 85 82.972 50.948 -25.241 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.341 52.001 -25.269 1.00 0.00 H new ATOM 0 HH12 ARG A 85 86.423 52.079 -27.032 1.00 0.00 H new ATOM 0 HH21 ARG A 85 83.085 51.050 -27.505 1.00 0.00 H new ATOM 0 HH22 ARG A 85 84.587 51.543 -28.293 1.00 0.00 H new ATOM 1347 N ALA A 86 85.241 47.737 -19.632 1.00 0.00 N ATOM 1348 CA ALA A 86 85.201 47.477 -18.199 1.00 0.00 C ATOM 1349 C ALA A 86 85.891 46.160 -17.860 1.00 0.00 C ATOM 1350 O ALA A 86 86.655 46.076 -16.898 1.00 0.00 O ATOM 1351 CB ALA A 86 83.762 47.465 -17.705 1.00 0.00 C ATOM 0 H ALA A 86 84.443 47.369 -20.150 1.00 0.00 H new ATOM 0 HA ALA A 86 85.740 48.279 -17.694 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.747 47.270 -16.633 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.301 48.432 -17.904 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.206 46.684 -18.224 1.00 0.00 H new ATOM 1357 N THR A 87 85.615 45.131 -18.656 1.00 0.00 N ATOM 1358 CA THR A 87 86.207 43.817 -18.440 1.00 0.00 C ATOM 1359 C THR A 87 86.622 43.177 -19.759 1.00 0.00 C ATOM 1360 O THR A 87 86.322 43.696 -20.835 1.00 0.00 O ATOM 1361 CB THR A 87 85.232 42.875 -17.709 1.00 0.00 C ATOM 1362 OG1 THR A 87 85.907 41.672 -17.326 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.043 42.535 -18.596 1.00 0.00 C ATOM 0 H THR A 87 84.985 45.183 -19.456 1.00 0.00 H new ATOM 0 HA THR A 87 87.090 43.967 -17.819 1.00 0.00 H new ATOM 0 HB THR A 87 84.867 43.385 -16.818 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.643 41.890 -16.717 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.368 41.869 -18.059 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.514 43.450 -18.862 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.394 42.042 -19.503 1.00 0.00 H new ATOM 1371 N THR A 88 87.315 42.046 -19.671 1.00 0.00 N ATOM 1372 CA THR A 88 87.772 41.335 -20.858 1.00 0.00 C ATOM 1373 C THR A 88 86.602 40.706 -21.607 1.00 0.00 C ATOM 1374 O THR A 88 85.467 40.717 -21.128 1.00 0.00 O ATOM 1375 CB THR A 88 88.787 40.233 -20.497 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.168 39.253 -19.657 1.00 0.00 O ATOM 1377 CG2 THR A 88 89.997 40.824 -19.790 1.00 0.00 C ATOM 0 H THR A 88 87.572 41.603 -18.789 1.00 0.00 H new ATOM 0 HA THR A 88 88.258 42.071 -21.499 1.00 0.00 H new ATOM 0 HB THR A 88 89.121 39.760 -21.420 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.819 38.555 -19.434 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.700 40.028 -19.545 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.483 41.548 -20.444 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.677 41.320 -18.874 1.00 0.00 H new ATOM 1385 N LEU A 89 86.885 40.158 -22.784 1.00 0.00 N ATOM 1386 CA LEU A 89 85.855 39.524 -23.599 1.00 0.00 C ATOM 1387 C LEU A 89 85.316 38.271 -22.917 1.00 0.00 C ATOM 1388 O LEU A 89 84.111 38.018 -22.923 1.00 0.00 O ATOM 1389 CB LEU A 89 86.416 39.168 -24.977 1.00 0.00 C ATOM 1390 CG LEU A 89 85.415 39.177 -26.132 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.257 38.234 -25.843 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.905 40.588 -26.385 1.00 0.00 C ATOM 0 H LEU A 89 87.818 40.140 -23.195 1.00 0.00 H new ATOM 0 HA LEU A 89 85.034 40.231 -23.719 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.218 39.868 -25.212 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.865 38.176 -24.919 1.00 0.00 H new ATOM 0 HG LEU A 89 85.924 38.829 -27.031 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.555 38.254 -26.676 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.637 37.221 -25.713 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.748 38.551 -24.932 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.193 40.575 -27.211 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.413 40.963 -25.488 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.743 41.238 -26.638 1.00 0.00 H new ATOM 1404 N TYR A 90 86.216 37.490 -22.330 1.00 0.00 N ATOM 1405 CA TYR A 90 85.831 36.262 -21.644 1.00 0.00 C ATOM 1406 C TYR A 90 84.788 36.545 -20.566 1.00 0.00 C ATOM 1407 O TYR A 90 83.882 35.744 -20.338 1.00 0.00 O ATOM 1408 CB TYR A 90 87.058 35.595 -21.020 1.00 0.00 C ATOM 1409 CG TYR A 90 86.725 34.392 -20.167 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.419 34.534 -18.819 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.717 33.112 -20.709 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.115 33.437 -18.036 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.413 32.010 -19.934 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.113 32.178 -18.598 1.00 0.00 C ATOM 1415 OH TYR A 90 85.810 31.082 -17.822 1.00 0.00 O ATOM 0 H TYR A 90 87.217 37.685 -22.315 1.00 0.00 H new ATOM 0 HA TYR A 90 85.394 35.587 -22.379 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.738 35.289 -21.815 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.588 36.327 -20.410 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.419 35.519 -18.376 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.953 32.977 -21.754 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.880 33.565 -16.990 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.410 31.023 -20.371 1.00 0.00 H new ATOM 0 HH TYR A 90 85.852 30.271 -18.371 1.00 0.00 H new ATOM 1425 N ASN A 91 84.924 37.691 -19.907 1.00 0.00 N ATOM 1426 CA ASN A 91 83.995 38.081 -18.852 1.00 0.00 C ATOM 1427 C ASN A 91 82.761 38.760 -19.439 1.00 0.00 C ATOM 1428 O ASN A 91 81.640 38.542 -18.978 1.00 0.00 O ATOM 1429 CB ASN A 91 84.683 39.018 -17.858 1.00 0.00 C ATOM 1430 CG ASN A 91 85.586 38.275 -16.893 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.527 37.050 -16.789 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.427 39.016 -16.180 1.00 0.00 N ATOM 0 H ASN A 91 85.668 38.366 -20.085 1.00 0.00 H new ATOM 0 HA ASN A 91 83.678 37.179 -18.329 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.270 39.756 -18.405 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.927 39.565 -17.295 1.00 0.00 H new ATOM 0 HD21 ASN A 91 87.059 38.572 -15.513 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.441 40.029 -16.299 1.00 0.00 H new ATOM 1439 N THR A 92 82.975 39.584 -20.460 1.00 0.00 N ATOM 1440 CA THR A 92 81.881 40.296 -21.109 1.00 0.00 C ATOM 1441 C THR A 92 80.798 39.331 -21.576 1.00 0.00 C ATOM 1442 O THR A 92 79.607 39.603 -21.429 1.00 0.00 O ATOM 1443 CB THR A 92 82.381 41.112 -22.316 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.347 42.079 -21.888 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.225 41.816 -23.010 1.00 0.00 C ATOM 0 H THR A 92 83.896 39.775 -20.855 1.00 0.00 H new ATOM 0 HA THR A 92 81.462 40.977 -20.368 1.00 0.00 H new ATOM 0 HB THR A 92 82.845 40.425 -23.024 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.244 41.685 -21.928 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.603 42.386 -23.859 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.506 41.076 -23.361 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.736 42.492 -22.308 1.00 0.00 H new ATOM 1453 N GLU A 93 81.219 38.203 -22.140 1.00 0.00 N ATOM 1454 CA GLU A 93 80.282 37.198 -22.628 1.00 0.00 C ATOM 1455 C GLU A 93 79.483 36.594 -21.477 1.00 0.00 C ATOM 1456 O GLU A 93 78.356 36.133 -21.664 1.00 0.00 O ATOM 1457 CB GLU A 93 81.030 36.093 -23.378 1.00 0.00 C ATOM 1458 CG GLU A 93 81.793 36.592 -24.594 1.00 0.00 C ATOM 1459 CD GLU A 93 81.613 35.696 -25.804 1.00 0.00 C ATOM 1460 OE1 GLU A 93 80.546 35.776 -26.448 1.00 0.00 O ATOM 1461 OE2 GLU A 93 82.539 34.916 -26.107 1.00 0.00 O ATOM 0 H GLU A 93 82.202 37.963 -22.270 1.00 0.00 H new ATOM 0 HA GLU A 93 79.588 37.687 -23.312 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.728 35.610 -22.694 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.316 35.333 -23.694 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.458 37.600 -24.840 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.853 36.659 -24.351 1.00 0.00 H new ATOM 1468 N VAL A 94 80.074 36.600 -20.287 1.00 0.00 N ATOM 1469 CA VAL A 94 79.418 36.054 -19.105 1.00 0.00 C ATOM 1470 C VAL A 94 78.398 37.036 -18.539 1.00 0.00 C ATOM 1471 O VAL A 94 77.336 36.638 -18.060 1.00 0.00 O ATOM 1472 CB VAL A 94 80.440 35.702 -18.008 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.735 35.147 -16.779 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.468 34.713 -18.535 1.00 0.00 C ATOM 0 H VAL A 94 81.006 36.977 -20.116 1.00 0.00 H new ATOM 0 HA VAL A 94 78.906 35.144 -19.419 1.00 0.00 H new ATOM 0 HB VAL A 94 80.962 36.613 -17.717 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.473 34.904 -16.015 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.042 35.892 -16.390 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.185 34.246 -17.051 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.182 34.476 -17.746 1.00 0.00 H new ATOM 0 HG22 VAL A 94 80.965 33.801 -18.855 1.00 0.00 H new ATOM 0 HG23 VAL A 94 81.995 35.153 -19.382 1.00 0.00 H new ATOM 1484 N LEU A 95 78.729 38.322 -18.597 1.00 0.00 N ATOM 1485 CA LEU A 95 77.842 39.363 -18.091 1.00 0.00 C ATOM 1486 C LEU A 95 76.681 39.604 -19.051 1.00 0.00 C ATOM 1487 O LEU A 95 75.514 39.488 -18.673 1.00 0.00 O ATOM 1488 CB LEU A 95 78.619 40.663 -17.876 1.00 0.00 C ATOM 1489 CG LEU A 95 79.877 40.558 -17.013 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.844 41.686 -17.338 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.513 40.575 -15.535 1.00 0.00 C ATOM 0 H LEU A 95 79.605 38.668 -18.989 1.00 0.00 H new ATOM 0 HA LEU A 95 77.436 39.027 -17.137 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.904 41.058 -18.851 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.949 41.392 -17.420 1.00 0.00 H new ATOM 0 HG LEU A 95 80.368 39.611 -17.235 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.733 41.594 -16.714 1.00 0.00 H new ATOM 0 HD12 LEU A 95 81.130 41.628 -18.388 1.00 0.00 H new ATOM 0 HD13 LEU A 95 80.363 42.645 -17.145 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.420 40.499 -14.936 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.998 41.506 -15.298 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.859 39.732 -15.312 1.00 0.00 H new ATOM 1503 N LEU A 96 77.008 39.938 -20.294 1.00 0.00 N ATOM 1504 CA LEU A 96 75.993 40.193 -21.310 1.00 0.00 C ATOM 1505 C LEU A 96 75.002 39.037 -21.392 1.00 0.00 C ATOM 1506 O LEU A 96 73.789 39.245 -21.398 1.00 0.00 O ATOM 1507 CB LEU A 96 76.651 40.414 -22.673 1.00 0.00 C ATOM 1508 CG LEU A 96 76.255 41.693 -23.411 1.00 0.00 C ATOM 1509 CD1 LEU A 96 77.330 42.087 -24.412 1.00 0.00 C ATOM 1510 CD2 LEU A 96 74.915 41.513 -24.108 1.00 0.00 C ATOM 0 H LEU A 96 77.968 40.039 -20.623 1.00 0.00 H new ATOM 0 HA LEU A 96 75.449 41.094 -21.026 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.732 40.418 -22.535 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.414 39.562 -23.311 1.00 0.00 H new ATOM 0 HG LEU A 96 76.157 42.496 -22.680 1.00 0.00 H new ATOM 0 HD11 LEU A 96 77.030 42.999 -24.927 1.00 0.00 H new ATOM 0 HD12 LEU A 96 78.270 42.258 -23.888 1.00 0.00 H new ATOM 0 HD13 LEU A 96 77.461 41.286 -25.139 1.00 0.00 H new ATOM 0 HD21 LEU A 96 74.649 42.433 -24.628 1.00 0.00 H new ATOM 0 HD22 LEU A 96 74.986 40.697 -24.827 1.00 0.00 H new ATOM 0 HD23 LEU A 96 74.149 41.280 -23.369 1.00 0.00 H new ATOM 1522 N SER A 97 75.527 37.817 -21.453 1.00 0.00 N ATOM 1523 CA SER A 97 74.689 36.627 -21.536 1.00 0.00 C ATOM 1524 C SER A 97 73.692 36.583 -20.382 1.00 0.00 C ATOM 1525 O SER A 97 72.497 36.369 -20.587 1.00 0.00 O ATOM 1526 CB SER A 97 75.555 35.366 -21.526 1.00 0.00 C ATOM 1527 OG SER A 97 74.761 34.200 -21.663 1.00 0.00 O ATOM 0 H SER A 97 76.529 37.627 -21.446 1.00 0.00 H new ATOM 0 HA SER A 97 74.132 36.669 -22.472 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.280 35.413 -22.338 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.121 35.317 -20.596 1.00 0.00 H new ATOM 0 HG SER A 97 75.338 33.408 -21.655 1.00 0.00 H new ATOM 1533 N HIS A 98 74.193 36.787 -19.168 1.00 0.00 N ATOM 1534 CA HIS A 98 73.347 36.771 -17.980 1.00 0.00 C ATOM 1535 C HIS A 98 72.266 37.844 -18.068 1.00 0.00 C ATOM 1536 O HIS A 98 71.089 37.577 -17.822 1.00 0.00 O ATOM 1537 CB HIS A 98 74.192 36.984 -16.724 1.00 0.00 C ATOM 1538 CG HIS A 98 73.525 36.517 -15.467 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.158 36.525 -15.292 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.046 36.022 -14.319 1.00 0.00 C ATOM 1541 CE1 HIS A 98 71.866 36.058 -14.091 1.00 0.00 C ATOM 1542 NE2 HIS A 98 72.995 35.745 -13.481 1.00 0.00 N ATOM 0 H HIS A 98 75.180 36.965 -18.981 1.00 0.00 H new ATOM 0 HA HIS A 98 72.863 35.796 -17.922 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.139 36.458 -16.840 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.426 38.044 -16.629 1.00 0.00 H new ATOM 0 HD1 HIS A 98 71.477 36.842 -15.982 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.094 35.873 -14.103 1.00 0.00 H new ATOM 0 HE1 HIS A 98 70.874 35.951 -13.679 1.00 0.00 H new ATOM 1550 N LEU A 99 72.673 39.059 -18.420 1.00 0.00 N ATOM 1551 CA LEU A 99 71.739 40.173 -18.540 1.00 0.00 C ATOM 1552 C LEU A 99 70.722 39.915 -19.647 1.00 0.00 C ATOM 1553 O LEU A 99 69.609 40.440 -19.616 1.00 0.00 O ATOM 1554 CB LEU A 99 72.498 41.472 -18.822 1.00 0.00 C ATOM 1555 CG LEU A 99 72.532 42.490 -17.682 1.00 0.00 C ATOM 1556 CD1 LEU A 99 73.105 41.862 -16.422 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.340 43.715 -18.085 1.00 0.00 C ATOM 0 H LEU A 99 73.643 39.297 -18.627 1.00 0.00 H new ATOM 0 HA LEU A 99 71.203 40.269 -17.596 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.525 41.219 -19.087 1.00 0.00 H new ATOM 0 HB3 LEU A 99 72.051 41.948 -19.695 1.00 0.00 H new ATOM 0 HG LEU A 99 71.510 42.806 -17.473 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.121 42.602 -15.622 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.485 41.017 -16.122 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.120 41.516 -16.617 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.353 44.429 -17.262 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.361 43.416 -18.322 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.885 44.179 -18.960 1.00 0.00 H new ATOM 1569 N SER A 100 71.111 39.101 -20.623 1.00 0.00 N ATOM 1570 CA SER A 100 70.234 38.773 -21.741 1.00 0.00 C ATOM 1571 C SER A 100 69.315 37.608 -21.387 1.00 0.00 C ATOM 1572 O SER A 100 68.219 37.478 -21.933 1.00 0.00 O ATOM 1573 CB SER A 100 71.060 38.427 -22.981 1.00 0.00 C ATOM 1574 OG SER A 100 70.234 37.943 -24.025 1.00 0.00 O ATOM 0 H SER A 100 72.028 38.656 -20.662 1.00 0.00 H new ATOM 0 HA SER A 100 69.619 39.647 -21.956 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.600 39.311 -23.320 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.807 37.675 -22.726 1.00 0.00 H new ATOM 0 HG SER A 100 70.786 37.730 -24.807 1.00 0.00 H new ATOM 1580 N TYR A 101 69.769 36.762 -20.468 1.00 0.00 N ATOM 1581 CA TYR A 101 68.990 35.606 -20.042 1.00 0.00 C ATOM 1582 C TYR A 101 67.640 36.037 -19.478 1.00 0.00 C ATOM 1583 O TYR A 101 66.624 35.372 -19.690 1.00 0.00 O ATOM 1584 CB TYR A 101 69.761 34.804 -18.992 1.00 0.00 C ATOM 1585 CG TYR A 101 68.962 33.673 -18.386 1.00 0.00 C ATOM 1586 CD1 TYR A 101 68.850 32.449 -19.034 1.00 0.00 C ATOM 1587 CD2 TYR A 101 68.318 33.828 -17.164 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.120 31.414 -18.484 1.00 0.00 C ATOM 1589 CE2 TYR A 101 67.586 32.798 -16.607 1.00 0.00 C ATOM 1590 CZ TYR A 101 67.490 31.593 -17.271 1.00 0.00 C ATOM 1591 OH TYR A 101 66.763 30.563 -16.719 1.00 0.00 O ATOM 0 H TYR A 101 70.673 36.856 -20.004 1.00 0.00 H new ATOM 0 HA TYR A 101 68.815 34.976 -20.914 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.663 34.396 -19.449 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.082 35.477 -18.197 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.342 32.305 -19.984 1.00 0.00 H new ATOM 0 HD2 TYR A 101 68.391 34.770 -16.641 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.043 30.469 -19.001 1.00 0.00 H new ATOM 0 HE2 TYR A 101 67.091 32.935 -15.657 1.00 0.00 H new ATOM 0 HH TYR A 101 66.384 30.852 -15.863 1.00 0.00 H new ATOM 1601 N LEU A 102 67.635 37.154 -18.760 1.00 0.00 N ATOM 1602 CA LEU A 102 66.410 37.676 -18.165 1.00 0.00 C ATOM 1603 C LEU A 102 65.456 38.185 -19.241 1.00 0.00 C ATOM 1604 O LEU A 102 64.241 38.213 -19.045 1.00 0.00 O ATOM 1605 CB LEU A 102 66.736 38.803 -17.183 1.00 0.00 C ATOM 1606 CG LEU A 102 67.828 38.502 -16.155 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.367 39.791 -15.556 1.00 0.00 C ATOM 1608 CD2 LEU A 102 67.295 37.586 -15.063 1.00 0.00 C ATOM 0 H LEU A 102 68.466 37.716 -18.576 1.00 0.00 H new ATOM 0 HA LEU A 102 65.922 36.863 -17.627 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.035 39.681 -17.755 1.00 0.00 H new ATOM 0 HB3 LEU A 102 65.824 39.067 -16.648 1.00 0.00 H new ATOM 0 HG LEU A 102 68.647 37.991 -16.662 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.143 39.557 -14.827 1.00 0.00 H new ATOM 0 HD12 LEU A 102 68.788 40.412 -16.347 1.00 0.00 H new ATOM 0 HD13 LEU A 102 67.557 40.330 -15.064 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.086 37.383 -14.341 1.00 0.00 H new ATOM 0 HD22 LEU A 102 66.458 38.070 -14.559 1.00 0.00 H new ATOM 0 HD23 LEU A 102 66.959 36.649 -15.506 1.00 0.00 H new