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= -0.238 USER MOD Set 1.2: A 91 ASN : amide:sc= -1.82! C(o=-2.1!,f=-6.5!) USER MOD Set 2.1: A 65 SER OG : rot 22:sc= 1.11 USER MOD Set 2.2: A 68 GLN : amide:sc= 0.113 K(o=1.2,f=-3) USER MOD Set 3.1: A 57 TYR OH : rot 150:sc= 0 USER MOD Set 3.2: A 98 HIS : no HE2:sc= -0.0899 K(o=-0.09,f=-1.3!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0525 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-6.3!) 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 -31:sc= 0.624 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00201 USER MOD Single : A 69 ASN : amide:sc=-0.000221 X(o=-0.00022,f=-0.14) USER MOD Single : A 70 MET CE :methyl -137:sc= -0.171 (180deg=-2.41!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -160:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -149:sc= -0.242 (180deg=-1.27) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.061) 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 81: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 66.485 37.959 -5.479 1.00 0.00 N ATOM 460 CA ILE A 33 67.670 37.986 -6.327 1.00 0.00 C ATOM 461 C ILE A 33 67.479 38.931 -7.509 1.00 0.00 C ATOM 462 O ILE A 33 68.432 39.552 -7.981 1.00 0.00 O ATOM 463 CB ILE A 33 68.014 36.581 -6.858 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.335 36.613 -7.629 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.891 36.059 -7.742 1.00 0.00 C ATOM 466 CD1 ILE A 33 70.267 35.474 -7.279 1.00 0.00 C ATOM 0 HA ILE A 33 68.493 38.344 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 33 68.126 35.906 -6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.123 36.583 -8.698 1.00 0.00 H new ATOM 0 HG13 ILE A 33 69.839 37.559 -7.430 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.149 35.066 -8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.969 36.004 -7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.750 36.733 -8.587 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.183 35.561 -7.863 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.509 35.515 -6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.782 34.524 -7.504 1.00 0.00 H new ATOM 478 N VAL A 34 66.241 39.036 -7.981 1.00 0.00 N ATOM 479 CA VAL A 34 65.924 39.908 -9.106 1.00 0.00 C ATOM 480 C VAL A 34 64.472 40.370 -9.051 1.00 0.00 C ATOM 481 O VAL A 34 63.560 39.598 -8.756 1.00 0.00 O ATOM 482 CB VAL A 34 66.176 39.202 -10.452 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.188 39.687 -11.502 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.608 39.427 -10.911 1.00 0.00 C ATOM 0 H VAL A 34 65.441 38.528 -7.602 1.00 0.00 H new ATOM 0 HA VAL A 34 66.581 40.774 -9.030 1.00 0.00 H new ATOM 0 HB VAL A 34 66.027 38.131 -10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.381 39.178 -12.446 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.172 39.469 -11.173 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.302 40.762 -11.640 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.769 38.921 -11.863 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.788 40.495 -11.033 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.296 39.026 -10.167 1.00 0.00 H new ATOM 494 N PRO A 35 64.251 41.661 -9.341 1.00 0.00 N ATOM 495 CA PRO A 35 62.911 42.256 -9.332 1.00 0.00 C ATOM 496 C PRO A 35 62.044 41.748 -10.479 1.00 0.00 C ATOM 497 O PRO A 35 60.897 41.351 -10.274 1.00 0.00 O ATOM 498 CB PRO A 35 63.187 43.753 -9.493 1.00 0.00 C ATOM 499 CG PRO A 35 64.503 43.824 -10.187 1.00 0.00 C ATOM 500 CD PRO A 35 65.291 42.639 -9.701 1.00 0.00 C ATOM 0 HA PRO A 35 62.359 42.005 -8.426 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.405 44.239 -10.077 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.222 44.255 -8.526 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.376 43.791 -11.269 1.00 0.00 H new ATOM 0 HG3 PRO A 35 65.017 44.757 -9.955 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.955 42.253 -10.475 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.915 42.895 -8.845 1.00 0.00 H new ATOM 508 N ALA A 36 62.599 41.761 -11.686 1.00 0.00 N ATOM 509 CA ALA A 36 61.877 41.299 -12.865 1.00 0.00 C ATOM 510 C ALA A 36 62.752 41.380 -14.111 1.00 0.00 C ATOM 511 O ALA A 36 63.243 40.364 -14.603 1.00 0.00 O ATOM 512 CB ALA A 36 60.605 42.112 -13.057 1.00 0.00 C ATOM 0 H ALA A 36 63.547 42.087 -11.873 1.00 0.00 H new ATOM 0 HA ALA A 36 61.607 40.254 -12.710 1.00 0.00 H new ATOM 0 HB1 ALA A 36 60.076 41.756 -13.941 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.966 41.999 -12.181 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.861 43.164 -13.186 1.00 0.00 H new ATOM 518 N ASP A 37 62.941 42.593 -14.618 1.00 0.00 N ATOM 519 CA ASP A 37 63.757 42.806 -15.808 1.00 0.00 C ATOM 520 C ASP A 37 64.976 43.664 -15.484 1.00 0.00 C ATOM 521 O ASP A 37 65.018 44.371 -14.477 1.00 0.00 O ATOM 522 CB ASP A 37 62.928 43.470 -16.908 1.00 0.00 C ATOM 523 CG ASP A 37 62.438 42.477 -17.943 1.00 0.00 C ATOM 524 OD1 ASP A 37 62.258 41.292 -17.590 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.234 42.884 -19.106 1.00 0.00 O ATOM 0 H ASP A 37 62.540 43.444 -14.224 1.00 0.00 H new ATOM 0 HA ASP A 37 64.103 41.834 -16.161 1.00 0.00 H new ATOM 0 HB2 ASP A 37 62.072 43.975 -16.459 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.528 44.236 -17.399 1.00 0.00 H new ATOM 530 N PRO A 38 65.992 43.602 -16.357 1.00 0.00 N ATOM 531 CA PRO A 38 67.231 44.366 -16.185 1.00 0.00 C ATOM 532 C PRO A 38 67.022 45.863 -16.387 1.00 0.00 C ATOM 533 O PRO A 38 67.873 46.675 -16.022 1.00 0.00 O ATOM 534 CB PRO A 38 68.149 43.803 -17.273 1.00 0.00 C ATOM 535 CG PRO A 38 67.223 43.278 -18.315 1.00 0.00 C ATOM 536 CD PRO A 38 66.011 42.780 -17.579 1.00 0.00 C ATOM 0 HA PRO A 38 67.633 44.269 -15.176 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.803 44.575 -17.678 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.791 43.015 -16.880 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.954 44.058 -19.027 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.691 42.475 -18.884 1.00 0.00 H new ATOM 0 HD2 PRO A 38 65.102 42.912 -18.166 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.090 41.718 -17.348 1.00 0.00 H new ATOM 544 N THR A 39 65.882 46.223 -16.969 1.00 0.00 N ATOM 545 CA THR A 39 65.561 47.623 -17.220 1.00 0.00 C ATOM 546 C THR A 39 65.059 48.307 -15.954 1.00 0.00 C ATOM 547 O THR A 39 65.261 49.507 -15.762 1.00 0.00 O ATOM 548 CB THR A 39 64.497 47.765 -18.324 1.00 0.00 C ATOM 549 OG1 THR A 39 63.560 46.685 -18.244 1.00 0.00 O ATOM 550 CG2 THR A 39 65.144 47.782 -19.701 1.00 0.00 C ATOM 0 H THR A 39 65.166 45.565 -17.275 1.00 0.00 H new ATOM 0 HA THR A 39 66.482 48.105 -17.549 1.00 0.00 H new ATOM 0 HB THR A 39 63.974 48.710 -18.174 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.886 46.784 -18.948 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.372 47.883 -20.464 1.00 0.00 H new ATOM 0 HG22 THR A 39 65.834 48.623 -19.769 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.690 46.852 -19.858 1.00 0.00 H new ATOM 558 N LEU A 40 64.404 47.537 -15.091 1.00 0.00 N ATOM 559 CA LEU A 40 63.873 48.069 -13.841 1.00 0.00 C ATOM 560 C LEU A 40 64.727 47.631 -12.656 1.00 0.00 C ATOM 561 O LEU A 40 64.217 47.077 -11.682 1.00 0.00 O ATOM 562 CB LEU A 40 62.428 47.609 -13.641 1.00 0.00 C ATOM 563 CG LEU A 40 61.474 47.865 -14.809 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.185 47.079 -14.627 1.00 0.00 C ATOM 565 CD2 LEU A 40 61.180 49.352 -14.942 1.00 0.00 C ATOM 0 H LEU A 40 64.228 46.543 -15.234 1.00 0.00 H new ATOM 0 HA LEU A 40 63.897 49.157 -13.899 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.434 46.539 -13.431 1.00 0.00 H new ATOM 0 HB3 LEU A 40 62.029 48.105 -12.757 1.00 0.00 H new ATOM 0 HG LEU A 40 61.955 47.527 -15.727 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.519 47.274 -15.467 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.412 46.014 -14.583 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.700 47.386 -13.700 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.500 49.515 -15.778 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.720 49.715 -14.023 1.00 0.00 H new ATOM 0 HD23 LEU A 40 62.110 49.892 -15.120 1.00 0.00 H new ATOM 577 N TRP A 41 66.027 47.884 -12.745 1.00 0.00 N ATOM 578 CA TRP A 41 66.952 47.517 -11.679 1.00 0.00 C ATOM 579 C TRP A 41 67.328 48.734 -10.842 1.00 0.00 C ATOM 580 O TRP A 41 67.085 49.874 -11.240 1.00 0.00 O ATOM 581 CB TRP A 41 68.212 46.877 -12.266 1.00 0.00 C ATOM 582 CG TRP A 41 68.167 45.379 -12.278 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.051 44.593 -12.332 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.286 44.488 -12.232 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.410 43.267 -12.323 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.775 43.176 -12.263 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.670 44.670 -12.170 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.601 42.055 -12.233 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.488 43.557 -12.139 1.00 0.00 C ATOM 590 CH2 TRP A 41 70.952 42.263 -12.172 1.00 0.00 C ATOM 0 H TRP A 41 66.465 48.342 -13.544 1.00 0.00 H new ATOM 0 HA TRP A 41 66.454 46.795 -11.033 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.353 47.237 -13.285 1.00 0.00 H new ATOM 0 HB3 TRP A 41 69.078 47.203 -11.690 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.036 44.960 -12.375 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.764 42.478 -12.356 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.093 45.663 -12.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.190 41.057 -12.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.559 43.687 -12.088 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.618 41.413 -12.149 1.00 0.00 H new ATOM 601 N THR A 42 67.923 48.487 -9.679 1.00 0.00 N ATOM 602 CA THR A 42 68.332 49.563 -8.785 1.00 0.00 C ATOM 603 C THR A 42 69.815 49.464 -8.447 1.00 0.00 C ATOM 604 O THR A 42 70.460 48.457 -8.735 1.00 0.00 O ATOM 605 CB THR A 42 67.517 49.547 -7.477 1.00 0.00 C ATOM 606 OG1 THR A 42 67.839 50.696 -6.686 1.00 0.00 O ATOM 607 CG2 THR A 42 67.797 48.282 -6.681 1.00 0.00 C ATOM 0 H THR A 42 68.132 47.550 -9.334 1.00 0.00 H new ATOM 0 HA THR A 42 68.144 50.499 -9.311 1.00 0.00 H new ATOM 0 HB THR A 42 66.458 49.568 -7.734 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.316 50.680 -5.857 1.00 0.00 H new ATOM 0 HG21 THR A 42 67.211 48.293 -5.762 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.524 47.410 -7.275 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.858 48.235 -6.434 1.00 0.00 H new ATOM 615 N GLN A 43 70.349 50.516 -7.835 1.00 0.00 N ATOM 616 CA GLN A 43 71.757 50.547 -7.459 1.00 0.00 C ATOM 617 C GLN A 43 72.111 49.354 -6.576 1.00 0.00 C ATOM 618 O GLN A 43 73.260 48.914 -6.542 1.00 0.00 O ATOM 619 CB GLN A 43 72.084 51.850 -6.729 1.00 0.00 C ATOM 620 CG GLN A 43 71.288 52.047 -5.449 1.00 0.00 C ATOM 621 CD GLN A 43 71.258 53.494 -4.996 1.00 0.00 C ATOM 622 OE1 GLN A 43 72.056 53.910 -4.157 1.00 0.00 O ATOM 623 NE2 GLN A 43 70.333 54.269 -5.551 1.00 0.00 N ATOM 0 H GLN A 43 69.828 51.358 -7.589 1.00 0.00 H new ATOM 0 HA GLN A 43 72.351 50.491 -8.371 1.00 0.00 H new ATOM 0 HB2 GLN A 43 73.148 51.867 -6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 43 71.894 52.689 -7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.267 51.698 -5.603 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.719 51.432 -4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 43 69.691 53.882 -6.243 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.264 55.251 -5.285 1.00 0.00 H new ATOM 632 N GLU A 44 71.115 48.835 -5.864 1.00 0.00 N ATOM 633 CA GLU A 44 71.323 47.694 -4.981 1.00 0.00 C ATOM 634 C GLU A 44 71.438 46.400 -5.782 1.00 0.00 C ATOM 635 O GLU A 44 72.075 45.441 -5.345 1.00 0.00 O ATOM 636 CB GLU A 44 70.175 47.583 -3.975 1.00 0.00 C ATOM 637 CG GLU A 44 70.613 47.108 -2.600 1.00 0.00 C ATOM 638 CD GLU A 44 70.411 48.160 -1.527 1.00 0.00 C ATOM 639 OE1 GLU A 44 70.757 49.334 -1.776 1.00 0.00 O ATOM 640 OE2 GLU A 44 69.907 47.810 -0.440 1.00 0.00 O ATOM 0 H GLU A 44 70.158 49.186 -5.882 1.00 0.00 H new ATOM 0 HA GLU A 44 72.256 47.851 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.694 48.556 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.426 46.895 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 44 70.053 46.211 -2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 44 71.666 46.828 -2.635 1.00 0.00 H new ATOM 647 N HIS A 45 70.817 46.381 -6.957 1.00 0.00 N ATOM 648 CA HIS A 45 70.849 45.206 -7.820 1.00 0.00 C ATOM 649 C HIS A 45 72.058 45.248 -8.750 1.00 0.00 C ATOM 650 O HIS A 45 72.563 44.209 -9.175 1.00 0.00 O ATOM 651 CB HIS A 45 69.563 45.114 -8.641 1.00 0.00 C ATOM 652 CG HIS A 45 68.388 44.613 -7.860 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.229 45.341 -7.692 1.00 0.00 N ATOM 654 CD2 HIS A 45 68.196 43.447 -7.199 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.376 44.645 -6.962 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.939 43.492 -6.649 1.00 0.00 N ATOM 0 H HIS A 45 70.286 47.166 -7.333 1.00 0.00 H new ATOM 0 HA HIS A 45 70.930 44.323 -7.186 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.328 46.099 -9.044 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.731 44.454 -9.492 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.901 42.633 -7.119 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.386 44.965 -6.671 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.510 42.755 -6.090 1.00 0.00 H new ATOM 664 N VAL A 46 72.517 46.456 -9.062 1.00 0.00 N ATOM 665 CA VAL A 46 73.667 46.633 -9.941 1.00 0.00 C ATOM 666 C VAL A 46 74.966 46.283 -9.224 1.00 0.00 C ATOM 667 O VAL A 46 75.938 45.861 -9.851 1.00 0.00 O ATOM 668 CB VAL A 46 73.756 48.079 -10.464 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.944 48.237 -11.400 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.462 48.474 -11.160 1.00 0.00 C ATOM 0 H VAL A 46 72.110 47.326 -8.719 1.00 0.00 H new ATOM 0 HA VAL A 46 73.528 45.957 -10.785 1.00 0.00 H new ATOM 0 HB VAL A 46 73.903 48.746 -9.614 1.00 0.00 H new ATOM 0 HG11 VAL A 46 74.990 49.265 -11.759 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.863 47.998 -10.865 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.832 47.561 -12.248 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.542 49.499 -11.523 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.282 47.804 -12.001 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.633 48.403 -10.455 1.00 0.00 H new ATOM 680 N ARG A 47 74.975 46.459 -7.907 1.00 0.00 N ATOM 681 CA ARG A 47 76.155 46.162 -7.104 1.00 0.00 C ATOM 682 C ARG A 47 76.135 44.714 -6.623 1.00 0.00 C ATOM 683 O ARG A 47 77.117 43.987 -6.773 1.00 0.00 O ATOM 684 CB ARG A 47 76.234 47.108 -5.905 1.00 0.00 C ATOM 685 CG ARG A 47 77.643 47.587 -5.598 1.00 0.00 C ATOM 686 CD ARG A 47 78.114 47.095 -4.238 1.00 0.00 C ATOM 687 NE ARG A 47 77.816 48.053 -3.176 1.00 0.00 N ATOM 688 CZ ARG A 47 77.935 47.776 -1.883 1.00 0.00 C ATOM 689 NH1 ARG A 47 78.344 46.577 -1.493 1.00 0.00 N ATOM 690 NH2 ARG A 47 77.644 48.700 -0.976 1.00 0.00 N ATOM 0 H ARG A 47 74.178 46.806 -7.373 1.00 0.00 H new ATOM 0 HA ARG A 47 77.035 46.307 -7.730 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.598 47.973 -6.093 1.00 0.00 H new ATOM 0 HB3 ARG A 47 75.832 46.602 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 47 78.325 47.233 -6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 47 77.672 48.676 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 47 77.635 46.142 -4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 47 79.188 46.912 -4.271 1.00 0.00 H new ATOM 0 HE ARG A 47 77.499 48.985 -3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.568 45.864 -2.187 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.434 46.367 -0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.329 49.624 -1.272 1.00 0.00 H new ATOM 0 HH22 ARG A 47 77.736 48.486 0.017 1.00 0.00 H new ATOM 704 N GLN A 48 75.011 44.304 -6.044 1.00 0.00 N ATOM 705 CA GLN A 48 74.865 42.944 -5.540 1.00 0.00 C ATOM 706 C GLN A 48 75.115 41.923 -6.646 1.00 0.00 C ATOM 707 O GLN A 48 75.872 40.970 -6.463 1.00 0.00 O ATOM 708 CB GLN A 48 73.467 42.743 -4.952 1.00 0.00 C ATOM 709 CG GLN A 48 73.268 43.425 -3.608 1.00 0.00 C ATOM 710 CD GLN A 48 73.475 42.483 -2.439 1.00 0.00 C ATOM 711 OE1 GLN A 48 72.598 41.685 -2.107 1.00 0.00 O ATOM 712 NE2 GLN A 48 74.640 42.570 -1.807 1.00 0.00 N ATOM 0 H GLN A 48 74.189 44.894 -5.912 1.00 0.00 H new ATOM 0 HA GLN A 48 75.607 42.793 -4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.728 43.124 -5.656 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.279 41.675 -4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 48 73.962 44.261 -3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 48 72.261 43.840 -3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 48 75.339 43.246 -2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 48 74.836 41.961 -1.013 1.00 0.00 H new ATOM 721 N TRP A 49 74.476 42.131 -7.791 1.00 0.00 N ATOM 722 CA TRP A 49 74.630 41.228 -8.926 1.00 0.00 C ATOM 723 C TRP A 49 76.102 41.025 -9.265 1.00 0.00 C ATOM 724 O TRP A 49 76.551 39.898 -9.478 1.00 0.00 O ATOM 725 CB TRP A 49 73.884 41.776 -10.144 1.00 0.00 C ATOM 726 CG TRP A 49 74.137 40.992 -11.397 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.735 39.714 -11.659 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.849 41.437 -12.556 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.155 39.336 -12.911 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.840 40.376 -13.483 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.492 42.628 -12.903 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.450 40.472 -14.731 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.097 42.722 -14.142 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.072 41.650 -15.044 1.00 0.00 C ATOM 0 H TRP A 49 73.847 42.916 -7.958 1.00 0.00 H new ATOM 0 HA TRP A 49 74.204 40.263 -8.651 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.814 41.779 -9.935 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.180 42.813 -10.306 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.170 39.091 -10.981 1.00 0.00 H new ATOM 0 HE1 TRP A 49 73.985 38.429 -13.345 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.516 43.460 -12.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.433 39.646 -15.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.598 43.638 -14.420 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.553 41.756 -16.005 1.00 0.00 H new ATOM 745 N LEU A 50 76.850 42.122 -9.313 1.00 0.00 N ATOM 746 CA LEU A 50 78.274 42.064 -9.625 1.00 0.00 C ATOM 747 C LEU A 50 79.024 41.223 -8.597 1.00 0.00 C ATOM 748 O LEU A 50 79.769 40.311 -8.952 1.00 0.00 O ATOM 749 CB LEU A 50 78.863 43.475 -9.675 1.00 0.00 C ATOM 750 CG LEU A 50 80.077 43.664 -10.585 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.639 43.828 -12.032 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.899 44.863 -10.136 1.00 0.00 C ATOM 0 H LEU A 50 76.494 43.062 -9.140 1.00 0.00 H new ATOM 0 HA LEU A 50 78.388 41.595 -10.602 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.081 44.162 -9.999 1.00 0.00 H new ATOM 0 HB3 LEU A 50 79.144 43.766 -8.663 1.00 0.00 H new ATOM 0 HG LEU A 50 80.702 42.774 -10.514 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.516 43.961 -12.665 1.00 0.00 H new ATOM 0 HD12 LEU A 50 79.094 42.939 -12.350 1.00 0.00 H new ATOM 0 HD13 LEU A 50 78.992 44.701 -12.120 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.759 44.982 -10.795 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.284 45.762 -10.176 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.244 44.705 -9.114 1.00 0.00 H new ATOM 764 N GLU A 51 78.818 41.537 -7.321 1.00 0.00 N ATOM 765 CA GLU A 51 79.474 40.808 -6.241 1.00 0.00 C ATOM 766 C GLU A 51 79.101 39.329 -6.277 1.00 0.00 C ATOM 767 O GLU A 51 79.861 38.475 -5.821 1.00 0.00 O ATOM 768 CB GLU A 51 79.094 41.409 -4.887 1.00 0.00 C ATOM 769 CG GLU A 51 80.112 42.403 -4.354 1.00 0.00 C ATOM 770 CD GLU A 51 80.276 42.320 -2.849 1.00 0.00 C ATOM 771 OE1 GLU A 51 80.690 41.250 -2.356 1.00 0.00 O ATOM 772 OE2 GLU A 51 79.991 43.325 -2.164 1.00 0.00 O ATOM 0 H GLU A 51 78.203 42.290 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 51 80.552 40.896 -6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.128 41.905 -4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.972 40.603 -4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 51 81.075 42.222 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.806 43.413 -4.627 1.00 0.00 H new ATOM 779 N TRP A 52 77.926 39.035 -6.823 1.00 0.00 N ATOM 780 CA TRP A 52 77.451 37.660 -6.918 1.00 0.00 C ATOM 781 C TRP A 52 78.092 36.943 -8.101 1.00 0.00 C ATOM 782 O TRP A 52 78.484 35.781 -7.995 1.00 0.00 O ATOM 783 CB TRP A 52 75.927 37.633 -7.054 1.00 0.00 C ATOM 784 CG TRP A 52 75.353 36.249 -7.027 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.963 35.544 -5.924 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.105 35.403 -8.155 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.488 34.310 -6.298 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.564 34.199 -7.661 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.285 35.544 -9.533 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.204 33.147 -8.499 1.00 0.00 C ATOM 791 CZ3 TRP A 52 74.928 34.499 -10.363 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.391 33.313 -9.844 1.00 0.00 C ATOM 0 H TRP A 52 77.286 39.730 -7.206 1.00 0.00 H new ATOM 0 HA TRP A 52 77.736 37.140 -6.004 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.487 38.217 -6.246 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.644 38.118 -7.988 1.00 0.00 H new ATOM 0 HD1 TRP A 52 75.020 35.904 -4.907 1.00 0.00 H new ATOM 0 HE1 TRP A 52 74.136 33.593 -5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.696 36.455 -9.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.791 32.232 -8.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.065 34.598 -11.430 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.120 32.515 -10.519 1.00 0.00 H new ATOM 803 N ALA A 53 78.195 37.642 -9.226 1.00 0.00 N ATOM 804 CA ALA A 53 78.791 37.072 -10.428 1.00 0.00 C ATOM 805 C ALA A 53 80.283 36.823 -10.235 1.00 0.00 C ATOM 806 O ALA A 53 80.776 35.724 -10.493 1.00 0.00 O ATOM 807 CB ALA A 53 78.556 37.989 -11.619 1.00 0.00 C ATOM 0 H ALA A 53 77.873 38.604 -9.330 1.00 0.00 H new ATOM 0 HA ALA A 53 78.311 36.113 -10.622 1.00 0.00 H new ATOM 0 HB1 ALA A 53 79.006 37.551 -12.510 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.485 38.112 -11.777 1.00 0.00 H new ATOM 0 HB3 ALA A 53 79.008 38.961 -11.424 1.00 0.00 H new ATOM 813 N ILE A 54 80.996 37.849 -9.783 1.00 0.00 N ATOM 814 CA ILE A 54 82.432 37.739 -9.556 1.00 0.00 C ATOM 815 C ILE A 54 82.752 36.592 -8.605 1.00 0.00 C ATOM 816 O ILE A 54 83.846 36.028 -8.640 1.00 0.00 O ATOM 817 CB ILE A 54 83.012 39.045 -8.981 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.734 40.213 -9.929 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.506 38.898 -8.736 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.943 41.570 -9.294 1.00 0.00 C ATOM 0 H ILE A 54 80.603 38.765 -9.567 1.00 0.00 H new ATOM 0 HA ILE A 54 82.891 37.543 -10.525 1.00 0.00 H new ATOM 0 HB ILE A 54 82.526 39.252 -8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.383 40.125 -10.801 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.707 40.143 -10.287 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.901 39.829 -8.330 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.680 38.089 -8.026 1.00 0.00 H new ATOM 0 HG23 ILE A 54 85.008 38.670 -9.676 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.728 42.350 -10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.275 41.678 -8.439 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.977 41.660 -8.961 1.00 0.00 H new ATOM 832 N LYS A 55 81.790 36.248 -7.756 1.00 0.00 N ATOM 833 CA LYS A 55 81.966 35.165 -6.796 1.00 0.00 C ATOM 834 C LYS A 55 81.574 33.824 -7.409 1.00 0.00 C ATOM 835 O LYS A 55 82.407 32.930 -7.551 1.00 0.00 O ATOM 836 CB LYS A 55 81.131 35.427 -5.540 1.00 0.00 C ATOM 837 CG LYS A 55 81.958 35.840 -4.335 1.00 0.00 C ATOM 838 CD LYS A 55 82.859 34.711 -3.863 1.00 0.00 C ATOM 839 CE LYS A 55 82.113 33.747 -2.954 1.00 0.00 C ATOM 840 NZ LYS A 55 82.653 33.762 -1.566 1.00 0.00 N ATOM 0 H LYS A 55 80.879 36.704 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 55 83.020 35.125 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.402 36.208 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.569 34.526 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.565 36.709 -4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.295 36.141 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.250 34.171 -4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.716 35.125 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 55 81.056 34.011 -2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.183 32.738 -3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 82.118 33.092 -0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.656 33.486 -1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 82.563 34.719 -1.169 1.00 0.00 H new ATOM 854 N GLU A 56 80.302 33.694 -7.772 1.00 0.00 N ATOM 855 CA GLU A 56 79.801 32.463 -8.371 1.00 0.00 C ATOM 856 C GLU A 56 80.664 32.046 -9.559 1.00 0.00 C ATOM 857 O GLU A 56 81.314 31.001 -9.532 1.00 0.00 O ATOM 858 CB GLU A 56 78.349 32.641 -8.819 1.00 0.00 C ATOM 859 CG GLU A 56 77.548 31.350 -8.817 1.00 0.00 C ATOM 860 CD GLU A 56 78.298 30.198 -9.459 1.00 0.00 C ATOM 861 OE1 GLU A 56 78.576 30.274 -10.674 1.00 0.00 O ATOM 862 OE2 GLU A 56 78.606 29.221 -8.745 1.00 0.00 O ATOM 0 H GLU A 56 79.600 34.426 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 56 79.847 31.677 -7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.861 33.362 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.337 33.064 -9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 56 77.294 31.086 -7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 56 76.609 31.508 -9.348 1.00 0.00 H new ATOM 869 N TYR A 57 80.663 32.870 -10.601 1.00 0.00 N ATOM 870 CA TYR A 57 81.443 32.587 -11.800 1.00 0.00 C ATOM 871 C TYR A 57 82.936 32.571 -11.488 1.00 0.00 C ATOM 872 O TYR A 57 83.718 31.913 -12.173 1.00 0.00 O ATOM 873 CB TYR A 57 81.148 33.626 -12.883 1.00 0.00 C ATOM 874 CG TYR A 57 79.759 33.511 -13.470 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.514 32.699 -14.571 1.00 0.00 C ATOM 876 CD2 TYR A 57 78.692 34.214 -12.924 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.247 32.592 -15.111 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.422 34.111 -13.457 1.00 0.00 C ATOM 879 CZ TYR A 57 77.204 33.299 -14.550 1.00 0.00 C ATOM 880 OH TYR A 57 75.940 33.195 -15.085 1.00 0.00 O ATOM 0 H TYR A 57 80.131 33.739 -10.640 1.00 0.00 H new ATOM 0 HA TYR A 57 81.156 31.601 -12.164 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.274 34.623 -12.462 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.881 33.523 -13.683 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.328 32.142 -15.012 1.00 0.00 H new ATOM 0 HD2 TYR A 57 78.859 34.852 -12.068 1.00 0.00 H new ATOM 0 HE1 TYR A 57 78.074 31.958 -15.968 1.00 0.00 H new ATOM 0 HE2 TYR A 57 76.604 34.664 -13.020 1.00 0.00 H new ATOM 0 HH TYR A 57 75.274 33.323 -14.378 1.00 0.00 H new ATOM 890 N SER A 58 83.324 33.301 -10.447 1.00 0.00 N ATOM 891 CA SER A 58 84.724 33.375 -10.044 1.00 0.00 C ATOM 892 C SER A 58 85.573 34.006 -11.144 1.00 0.00 C ATOM 893 O SER A 58 86.512 33.391 -11.649 1.00 0.00 O ATOM 894 CB SER A 58 85.255 31.980 -9.712 1.00 0.00 C ATOM 895 OG SER A 58 84.283 31.216 -9.019 1.00 0.00 O ATOM 0 H SER A 58 82.689 33.850 -9.867 1.00 0.00 H new ATOM 0 HA SER A 58 84.788 34.002 -9.155 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.538 31.467 -10.631 1.00 0.00 H new ATOM 0 HB3 SER A 58 86.156 32.065 -9.104 1.00 0.00 H new ATOM 0 HG SER A 58 83.725 31.811 -8.476 1.00 0.00 H new ATOM 901 N LEU A 59 85.235 35.238 -11.509 1.00 0.00 N ATOM 902 CA LEU A 59 85.966 35.955 -12.549 1.00 0.00 C ATOM 903 C LEU A 59 87.273 36.522 -12.004 1.00 0.00 C ATOM 904 O LEU A 59 87.680 36.205 -10.887 1.00 0.00 O ATOM 905 CB LEU A 59 85.105 37.084 -13.118 1.00 0.00 C ATOM 906 CG LEU A 59 83.663 36.716 -13.471 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.813 37.969 -13.614 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.621 35.892 -14.750 1.00 0.00 C ATOM 0 H LEU A 59 84.460 35.761 -11.101 1.00 0.00 H new ATOM 0 HA LEU A 59 86.202 35.249 -13.345 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.084 37.898 -12.394 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.591 37.468 -14.015 1.00 0.00 H new ATOM 0 HG LEU A 59 83.253 36.113 -12.661 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.790 37.688 -13.865 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.817 38.521 -12.674 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.221 38.597 -14.405 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.587 35.639 -14.986 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.049 36.470 -15.569 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.196 34.976 -14.612 1.00 0.00 H new ATOM 920 N MET A 60 87.924 37.363 -12.800 1.00 0.00 N ATOM 921 CA MET A 60 89.184 37.977 -12.396 1.00 0.00 C ATOM 922 C MET A 60 89.425 39.276 -13.158 1.00 0.00 C ATOM 923 O MET A 60 89.190 39.350 -14.364 1.00 0.00 O ATOM 924 CB MET A 60 90.346 37.010 -12.631 1.00 0.00 C ATOM 925 CG MET A 60 90.495 36.581 -14.082 1.00 0.00 C ATOM 926 SD MET A 60 92.017 35.663 -14.382 1.00 0.00 S ATOM 927 CE MET A 60 91.390 33.987 -14.471 1.00 0.00 C ATOM 0 H MET A 60 87.601 37.635 -13.728 1.00 0.00 H new ATOM 0 HA MET A 60 89.123 38.207 -11.332 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.272 37.481 -12.303 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.202 36.125 -12.012 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.642 35.964 -14.364 1.00 0.00 H new ATOM 0 HG3 MET A 60 90.475 37.463 -14.722 1.00 0.00 H new ATOM 0 HE1 MET A 60 92.215 33.299 -14.653 1.00 0.00 H new ATOM 0 HE2 MET A 60 90.904 33.730 -13.530 1.00 0.00 H new ATOM 0 HE3 MET A 60 90.668 33.911 -15.284 1.00 0.00 H new ATOM 937 N GLU A 61 89.894 40.296 -12.447 1.00 0.00 N ATOM 938 CA GLU A 61 90.166 41.592 -13.058 1.00 0.00 C ATOM 939 C GLU A 61 88.893 42.192 -13.649 1.00 0.00 C ATOM 940 O GLU A 61 88.527 41.900 -14.788 1.00 0.00 O ATOM 941 CB GLU A 61 91.231 41.454 -14.148 1.00 0.00 C ATOM 942 CG GLU A 61 92.510 40.790 -13.668 1.00 0.00 C ATOM 943 CD GLU A 61 93.601 40.796 -14.721 1.00 0.00 C ATOM 944 OE1 GLU A 61 93.599 39.893 -15.584 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.458 41.704 -14.682 1.00 0.00 O ATOM 0 H GLU A 61 90.094 40.250 -11.448 1.00 0.00 H new ATOM 0 HA GLU A 61 90.536 42.261 -12.281 1.00 0.00 H new ATOM 0 HB2 GLU A 61 90.820 40.876 -14.975 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.470 42.443 -14.539 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.869 41.303 -12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.295 39.761 -13.379 1.00 0.00 H new ATOM 952 N ILE A 62 88.223 43.032 -12.866 1.00 0.00 N ATOM 953 CA ILE A 62 86.993 43.673 -13.312 1.00 0.00 C ATOM 954 C ILE A 62 86.737 44.966 -12.543 1.00 0.00 C ATOM 955 O ILE A 62 86.935 45.028 -11.329 1.00 0.00 O ATOM 956 CB ILE A 62 85.779 42.741 -13.143 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.548 43.342 -13.825 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.504 42.490 -11.668 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.391 42.374 -13.945 1.00 0.00 C ATOM 0 H ILE A 62 88.512 43.284 -11.921 1.00 0.00 H new ATOM 0 HA ILE A 62 87.122 43.901 -14.370 1.00 0.00 H new ATOM 0 HB ILE A 62 86.005 41.786 -13.618 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.222 44.217 -13.263 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.827 43.688 -14.820 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.643 41.830 -11.566 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.376 42.023 -11.210 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.296 43.437 -11.170 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.553 42.868 -14.438 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.699 41.509 -14.533 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.086 42.047 -12.951 1.00 0.00 H new ATOM 971 N ASP A 63 86.296 45.995 -13.258 1.00 0.00 N ATOM 972 CA ASP A 63 86.010 47.286 -12.643 1.00 0.00 C ATOM 973 C ASP A 63 84.708 47.234 -11.850 1.00 0.00 C ATOM 974 O ASP A 63 83.715 46.661 -12.301 1.00 0.00 O ATOM 975 CB ASP A 63 85.927 48.377 -13.712 1.00 0.00 C ATOM 976 CG ASP A 63 86.539 49.685 -13.252 1.00 0.00 C ATOM 977 OD1 ASP A 63 87.710 49.672 -12.817 1.00 0.00 O ATOM 978 OD2 ASP A 63 85.848 50.722 -13.329 1.00 0.00 O ATOM 0 H ASP A 63 86.129 45.960 -14.264 1.00 0.00 H new ATOM 0 HA ASP A 63 86.823 47.522 -11.957 1.00 0.00 H new ATOM 0 HB2 ASP A 63 86.437 48.038 -14.614 1.00 0.00 H new ATOM 0 HB3 ASP A 63 84.883 48.542 -13.979 1.00 0.00 H new ATOM 983 N THR A 64 84.718 47.835 -10.664 1.00 0.00 N ATOM 984 CA THR A 64 83.540 47.855 -9.807 1.00 0.00 C ATOM 985 C THR A 64 82.925 49.249 -9.749 1.00 0.00 C ATOM 986 O THR A 64 81.709 49.397 -9.635 1.00 0.00 O ATOM 987 CB THR A 64 83.878 47.396 -8.376 1.00 0.00 C ATOM 988 OG1 THR A 64 85.178 47.868 -8.004 1.00 0.00 O ATOM 989 CG2 THR A 64 83.834 45.879 -8.269 1.00 0.00 C ATOM 0 H THR A 64 85.530 48.315 -10.275 1.00 0.00 H new ATOM 0 HA THR A 64 82.821 47.161 -10.243 1.00 0.00 H new ATOM 0 HB THR A 64 83.133 47.814 -7.699 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.385 47.573 -7.092 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.076 45.579 -7.249 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.835 45.525 -8.524 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.559 45.445 -8.957 1.00 0.00 H new ATOM 997 N SER A 65 83.774 50.269 -9.830 1.00 0.00 N ATOM 998 CA SER A 65 83.314 51.652 -9.784 1.00 0.00 C ATOM 999 C SER A 65 82.295 51.922 -10.886 1.00 0.00 C ATOM 1000 O SER A 65 81.441 52.800 -10.756 1.00 0.00 O ATOM 1001 CB SER A 65 84.499 52.610 -9.923 1.00 0.00 C ATOM 1002 OG SER A 65 84.339 53.743 -9.088 1.00 0.00 O ATOM 0 H SER A 65 84.784 50.163 -9.928 1.00 0.00 H new ATOM 0 HA SER A 65 82.833 51.818 -8.820 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.422 52.091 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 65 84.593 52.930 -10.961 1.00 0.00 H new ATOM 0 HG SER A 65 83.711 53.531 -8.366 1.00 0.00 H new ATOM 1008 N PHE A 66 82.389 51.160 -11.971 1.00 0.00 N ATOM 1009 CA PHE A 66 81.477 51.317 -13.097 1.00 0.00 C ATOM 1010 C PHE A 66 80.084 50.804 -12.744 1.00 0.00 C ATOM 1011 O PHE A 66 79.083 51.255 -13.302 1.00 0.00 O ATOM 1012 CB PHE A 66 82.012 50.573 -14.322 1.00 0.00 C ATOM 1013 CG PHE A 66 82.045 51.413 -15.567 1.00 0.00 C ATOM 1014 CD1 PHE A 66 82.794 52.577 -15.613 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.328 51.037 -16.691 1.00 0.00 C ATOM 1016 CE1 PHE A 66 82.826 53.352 -16.757 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.356 51.808 -17.838 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.107 52.967 -17.871 1.00 0.00 C ATOM 0 H PHE A 66 83.088 50.427 -12.094 1.00 0.00 H new ATOM 0 HA PHE A 66 81.406 52.380 -13.329 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.019 50.215 -14.108 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.393 49.694 -14.503 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.360 52.883 -14.745 1.00 0.00 H new ATOM 0 HD2 PHE A 66 80.740 50.131 -16.671 1.00 0.00 H new ATOM 0 HE1 PHE A 66 83.413 54.258 -16.779 1.00 0.00 H new ATOM 0 HE2 PHE A 66 80.791 51.505 -18.707 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.132 53.571 -18.766 1.00 0.00 H new ATOM 1028 N PHE A 67 80.027 49.856 -11.815 1.00 0.00 N ATOM 1029 CA PHE A 67 78.758 49.278 -11.387 1.00 0.00 C ATOM 1030 C PHE A 67 78.457 49.641 -9.936 1.00 0.00 C ATOM 1031 O PHE A 67 77.749 48.915 -9.239 1.00 0.00 O ATOM 1032 CB PHE A 67 78.785 47.757 -11.550 1.00 0.00 C ATOM 1033 CG PHE A 67 79.324 47.306 -12.877 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.531 47.349 -14.013 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.623 46.837 -12.989 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.024 46.935 -15.236 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.122 46.422 -14.210 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.321 46.470 -15.334 1.00 0.00 C ATOM 0 H PHE A 67 80.845 49.471 -11.343 1.00 0.00 H new ATOM 0 HA PHE A 67 77.969 49.689 -12.017 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.392 47.325 -10.754 1.00 0.00 H new ATOM 0 HB3 PHE A 67 77.774 47.368 -11.426 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.516 47.710 -13.942 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.253 46.795 -12.113 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.396 46.975 -16.114 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.137 46.061 -14.285 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.708 46.144 -16.288 1.00 0.00 H new ATOM 1048 N GLN A 68 79.002 50.767 -9.488 1.00 0.00 N ATOM 1049 CA GLN A 68 78.793 51.225 -8.120 1.00 0.00 C ATOM 1050 C GLN A 68 77.486 52.002 -7.999 1.00 0.00 C ATOM 1051 O GLN A 68 76.829 51.973 -6.960 1.00 0.00 O ATOM 1052 CB GLN A 68 79.963 52.100 -7.668 1.00 0.00 C ATOM 1053 CG GLN A 68 79.974 53.480 -8.307 1.00 0.00 C ATOM 1054 CD GLN A 68 81.336 54.143 -8.241 1.00 0.00 C ATOM 1055 OE1 GLN A 68 82.209 53.720 -7.483 1.00 0.00 O ATOM 1056 NE2 GLN A 68 81.524 55.188 -9.038 1.00 0.00 N ATOM 0 H GLN A 68 79.592 51.379 -10.052 1.00 0.00 H new ATOM 0 HA GLN A 68 78.734 50.348 -7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 68 79.925 52.211 -6.584 1.00 0.00 H new ATOM 0 HB3 GLN A 68 80.898 51.592 -7.904 1.00 0.00 H new ATOM 0 HG2 GLN A 68 79.665 53.396 -9.349 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.241 54.113 -7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 68 80.772 55.504 -9.650 1.00 0.00 H new ATOM 0 HE22 GLN A 68 82.420 55.675 -9.038 1.00 0.00 H new ATOM 1065 N ASN A 69 77.115 52.697 -9.070 1.00 0.00 N ATOM 1066 CA ASN A 69 75.887 53.483 -9.084 1.00 0.00 C ATOM 1067 C ASN A 69 75.382 53.678 -10.510 1.00 0.00 C ATOM 1068 O ASN A 69 74.841 54.730 -10.849 1.00 0.00 O ATOM 1069 CB ASN A 69 76.120 54.843 -8.423 1.00 0.00 C ATOM 1070 CG ASN A 69 74.883 55.360 -7.713 1.00 0.00 C ATOM 1071 OD1 ASN A 69 74.305 54.673 -6.870 1.00 0.00 O ATOM 1072 ND2 ASN A 69 74.472 56.576 -8.051 1.00 0.00 N ATOM 0 H ASN A 69 77.648 52.732 -9.939 1.00 0.00 H new ATOM 0 HA ASN A 69 75.130 52.938 -8.521 1.00 0.00 H new ATOM 0 HB2 ASN A 69 76.939 54.761 -7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.429 55.564 -9.180 1.00 0.00 H new ATOM 0 HD21 ASN A 69 73.646 56.977 -7.607 1.00 0.00 H new ATOM 0 HD22 ASN A 69 74.982 57.109 -8.755 1.00 0.00 H new ATOM 1079 N MET A 70 75.561 52.656 -11.341 1.00 0.00 N ATOM 1080 CA MET A 70 75.122 52.715 -12.730 1.00 0.00 C ATOM 1081 C MET A 70 73.663 52.286 -12.857 1.00 0.00 C ATOM 1082 O MET A 70 73.263 51.248 -12.330 1.00 0.00 O ATOM 1083 CB MET A 70 76.005 51.823 -13.605 1.00 0.00 C ATOM 1084 CG MET A 70 75.523 51.712 -15.042 1.00 0.00 C ATOM 1085 SD MET A 70 76.853 51.928 -16.240 1.00 0.00 S ATOM 1086 CE MET A 70 77.522 50.268 -16.305 1.00 0.00 C ATOM 0 H MET A 70 76.007 51.778 -11.076 1.00 0.00 H new ATOM 0 HA MET A 70 75.211 53.747 -13.070 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.022 52.216 -13.601 1.00 0.00 H new ATOM 0 HB3 MET A 70 76.047 50.826 -13.167 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.060 50.737 -15.191 1.00 0.00 H new ATOM 0 HG3 MET A 70 74.752 52.462 -15.221 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.611 50.314 -16.301 1.00 0.00 H new ATOM 0 HE2 MET A 70 77.180 49.704 -15.437 1.00 0.00 H new ATOM 0 HE3 MET A 70 77.183 49.774 -17.216 1.00 0.00 H new ATOM 1096 N ASP A 71 72.874 53.092 -13.560 1.00 0.00 N ATOM 1097 CA ASP A 71 71.460 52.796 -13.757 1.00 0.00 C ATOM 1098 C ASP A 71 71.281 51.533 -14.595 1.00 0.00 C ATOM 1099 O ASP A 71 71.988 51.324 -15.579 1.00 0.00 O ATOM 1100 CB ASP A 71 70.759 53.975 -14.433 1.00 0.00 C ATOM 1101 CG ASP A 71 71.562 54.541 -15.588 1.00 0.00 C ATOM 1102 OD1 ASP A 71 72.487 55.340 -15.333 1.00 0.00 O ATOM 1103 OD2 ASP A 71 71.265 54.184 -16.747 1.00 0.00 O ATOM 0 H ASP A 71 73.190 53.955 -14.003 1.00 0.00 H new ATOM 0 HA ASP A 71 71.010 52.629 -12.779 1.00 0.00 H new ATOM 0 HB2 ASP A 71 69.783 53.654 -14.796 1.00 0.00 H new ATOM 0 HB3 ASP A 71 70.583 54.760 -13.697 1.00 0.00 H new ATOM 1108 N GLY A 72 70.330 50.694 -14.195 1.00 0.00 N ATOM 1109 CA GLY A 72 70.076 49.462 -14.919 1.00 0.00 C ATOM 1110 C GLY A 72 69.843 49.697 -16.399 1.00 0.00 C ATOM 1111 O GLY A 72 70.155 48.841 -17.227 1.00 0.00 O ATOM 0 H GLY A 72 69.731 50.845 -13.383 1.00 0.00 H new ATOM 0 HA2 GLY A 72 70.922 48.787 -14.790 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.205 48.966 -14.491 1.00 0.00 H new ATOM 1115 N LYS A 73 69.292 50.859 -16.732 1.00 0.00 N ATOM 1116 CA LYS A 73 69.017 51.205 -18.121 1.00 0.00 C ATOM 1117 C LYS A 73 70.299 51.200 -18.948 1.00 0.00 C ATOM 1118 O LYS A 73 70.285 50.851 -20.128 1.00 0.00 O ATOM 1119 CB LYS A 73 68.350 52.580 -18.204 1.00 0.00 C ATOM 1120 CG LYS A 73 66.941 52.539 -18.770 1.00 0.00 C ATOM 1121 CD LYS A 73 66.777 53.510 -19.927 1.00 0.00 C ATOM 1122 CE LYS A 73 65.617 53.113 -20.828 1.00 0.00 C ATOM 1123 NZ LYS A 73 64.365 53.835 -20.470 1.00 0.00 N ATOM 0 H LYS A 73 69.027 51.578 -16.058 1.00 0.00 H new ATOM 0 HA LYS A 73 68.340 50.454 -18.528 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.320 53.021 -17.207 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.963 53.235 -18.824 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.713 51.528 -19.107 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.225 52.783 -17.985 1.00 0.00 H new ATOM 0 HD2 LYS A 73 66.610 54.515 -19.539 1.00 0.00 H new ATOM 0 HD3 LYS A 73 67.697 53.542 -20.510 1.00 0.00 H new ATOM 0 HE2 LYS A 73 65.874 53.325 -21.866 1.00 0.00 H new ATOM 0 HE3 LYS A 73 65.451 52.038 -20.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 63.598 53.537 -21.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 64.105 53.613 -19.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 64.516 54.860 -20.565 1.00 0.00 H new ATOM 1137 N GLU A 74 71.404 51.587 -18.319 1.00 0.00 N ATOM 1138 CA GLU A 74 72.694 51.626 -18.998 1.00 0.00 C ATOM 1139 C GLU A 74 73.271 50.222 -19.151 1.00 0.00 C ATOM 1140 O GLU A 74 73.931 49.914 -20.144 1.00 0.00 O ATOM 1141 CB GLU A 74 73.675 52.511 -18.226 1.00 0.00 C ATOM 1142 CG GLU A 74 73.879 53.882 -18.849 1.00 0.00 C ATOM 1143 CD GLU A 74 74.546 54.860 -17.902 1.00 0.00 C ATOM 1144 OE1 GLU A 74 75.719 54.632 -17.542 1.00 0.00 O ATOM 1145 OE2 GLU A 74 73.894 55.855 -17.522 1.00 0.00 O ATOM 0 H GLU A 74 71.432 51.878 -17.342 1.00 0.00 H new ATOM 0 HA GLU A 74 72.540 52.047 -19.992 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.313 52.635 -17.205 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.637 52.003 -18.163 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.486 53.781 -19.748 1.00 0.00 H new ATOM 0 HG3 GLU A 74 72.914 54.283 -19.159 1.00 0.00 H new ATOM 1152 N LEU A 75 73.019 49.374 -18.160 1.00 0.00 N ATOM 1153 CA LEU A 75 73.513 48.002 -18.182 1.00 0.00 C ATOM 1154 C LEU A 75 73.049 47.276 -19.441 1.00 0.00 C ATOM 1155 O LEU A 75 73.707 46.349 -19.914 1.00 0.00 O ATOM 1156 CB LEU A 75 73.036 47.246 -16.940 1.00 0.00 C ATOM 1157 CG LEU A 75 74.125 46.824 -15.953 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.864 48.041 -15.419 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.524 46.018 -14.810 1.00 0.00 C ATOM 0 H LEU A 75 72.475 49.613 -17.331 1.00 0.00 H new ATOM 0 HA LEU A 75 74.602 48.035 -18.184 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.317 47.872 -16.412 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.502 46.353 -17.265 1.00 0.00 H new ATOM 0 HG LEU A 75 74.841 46.193 -16.480 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.635 47.720 -14.718 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.327 48.578 -16.247 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.161 48.699 -14.908 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.313 45.726 -14.117 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.786 46.625 -14.285 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.042 45.125 -15.208 1.00 0.00 H new ATOM 1171 N CYS A 76 71.914 47.706 -19.981 1.00 0.00 N ATOM 1172 CA CYS A 76 71.362 47.099 -21.187 1.00 0.00 C ATOM 1173 C CYS A 76 72.011 47.684 -22.436 1.00 0.00 C ATOM 1174 O CYS A 76 72.457 46.951 -23.319 1.00 0.00 O ATOM 1175 CB CYS A 76 69.847 47.305 -21.240 1.00 0.00 C ATOM 1176 SG CYS A 76 68.909 46.153 -20.210 1.00 0.00 S ATOM 0 H CYS A 76 71.358 48.473 -19.603 1.00 0.00 H new ATOM 0 HA CYS A 76 71.575 46.030 -21.156 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.619 48.324 -20.927 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.514 47.206 -22.273 1.00 0.00 H new ATOM 0 HG CYS A 76 67.676 46.109 -20.620 1.00 0.00 H new ATOM 1182 N LYS A 77 72.060 49.010 -22.505 1.00 0.00 N ATOM 1183 CA LYS A 77 72.654 49.696 -23.647 1.00 0.00 C ATOM 1184 C LYS A 77 74.105 49.268 -23.844 1.00 0.00 C ATOM 1185 O LYS A 77 74.629 49.313 -24.956 1.00 0.00 O ATOM 1186 CB LYS A 77 72.580 51.212 -23.452 1.00 0.00 C ATOM 1187 CG LYS A 77 71.221 51.802 -23.786 1.00 0.00 C ATOM 1188 CD LYS A 77 70.908 53.008 -22.916 1.00 0.00 C ATOM 1189 CE LYS A 77 71.077 54.309 -23.686 1.00 0.00 C ATOM 1190 NZ LYS A 77 69.823 54.706 -24.386 1.00 0.00 N ATOM 0 H LYS A 77 71.695 49.632 -21.783 1.00 0.00 H new ATOM 0 HA LYS A 77 72.089 49.422 -24.538 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.825 51.449 -22.417 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.337 51.688 -24.076 1.00 0.00 H new ATOM 0 HG2 LYS A 77 71.198 52.094 -24.836 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.450 51.043 -23.649 1.00 0.00 H new ATOM 0 HD2 LYS A 77 69.886 52.934 -22.544 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.565 53.011 -22.046 1.00 0.00 H new ATOM 0 HE2 LYS A 77 71.376 55.101 -23.000 1.00 0.00 H new ATOM 0 HE3 LYS A 77 71.880 54.198 -24.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 69.979 55.597 -24.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 69.551 53.962 -25.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 69.063 54.837 -23.689 1.00 0.00 H new ATOM 1204 N MET A 78 74.748 48.853 -22.757 1.00 0.00 N ATOM 1205 CA MET A 78 76.137 48.415 -22.812 1.00 0.00 C ATOM 1206 C MET A 78 76.293 47.214 -23.740 1.00 0.00 C ATOM 1207 O MET A 78 75.599 46.209 -23.591 1.00 0.00 O ATOM 1208 CB MET A 78 76.638 48.060 -21.411 1.00 0.00 C ATOM 1209 CG MET A 78 76.743 49.257 -20.481 1.00 0.00 C ATOM 1210 SD MET A 78 78.429 49.877 -20.333 1.00 0.00 S ATOM 1211 CE MET A 78 79.256 48.449 -19.637 1.00 0.00 C ATOM 0 H MET A 78 74.329 48.811 -21.828 1.00 0.00 H new ATOM 0 HA MET A 78 76.735 49.236 -23.207 1.00 0.00 H new ATOM 0 HB2 MET A 78 75.965 47.325 -20.969 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.617 47.587 -21.493 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.098 50.055 -20.848 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.375 48.978 -19.494 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.077 48.779 -19.000 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.547 47.871 -19.045 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.648 47.827 -20.442 1.00 0.00 H new ATOM 1221 N ASN A 79 77.207 47.326 -24.698 1.00 0.00 N ATOM 1222 CA ASN A 79 77.452 46.250 -25.650 1.00 0.00 C ATOM 1223 C ASN A 79 78.806 45.594 -25.394 1.00 0.00 C ATOM 1224 O ASN A 79 79.503 45.936 -24.439 1.00 0.00 O ATOM 1225 CB ASN A 79 77.395 46.785 -27.083 1.00 0.00 C ATOM 1226 CG ASN A 79 76.220 47.718 -27.304 1.00 0.00 C ATOM 1227 OD1 ASN A 79 76.380 48.939 -27.336 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.032 47.147 -27.460 1.00 0.00 N ATOM 0 H ASN A 79 77.790 48.151 -24.835 1.00 0.00 H new ATOM 0 HA ASN A 79 76.673 45.499 -25.518 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.322 47.312 -27.308 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.327 45.948 -27.778 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.205 47.724 -27.614 1.00 0.00 H new ATOM 0 HD22 ASN A 79 74.946 46.131 -27.426 1.00 0.00 H new ATOM 1235 N LYS A 80 79.172 44.651 -26.255 1.00 0.00 N ATOM 1236 CA LYS A 80 80.443 43.948 -26.125 1.00 0.00 C ATOM 1237 C LYS A 80 81.606 44.932 -26.071 1.00 0.00 C ATOM 1238 O LYS A 80 82.584 44.712 -25.357 1.00 0.00 O ATOM 1239 CB LYS A 80 80.635 42.978 -27.294 1.00 0.00 C ATOM 1240 CG LYS A 80 81.840 42.067 -27.136 1.00 0.00 C ATOM 1241 CD LYS A 80 81.436 40.690 -26.636 1.00 0.00 C ATOM 1242 CE LYS A 80 81.378 39.680 -27.772 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.461 40.121 -28.860 1.00 0.00 N ATOM 0 H LYS A 80 78.606 44.356 -27.051 1.00 0.00 H new ATOM 0 HA LYS A 80 80.424 43.384 -25.192 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.739 42.366 -27.399 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.740 43.550 -28.216 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.353 41.972 -28.093 1.00 0.00 H new ATOM 0 HG3 LYS A 80 82.547 42.515 -26.438 1.00 0.00 H new ATOM 0 HD2 LYS A 80 82.148 40.352 -25.883 1.00 0.00 H new ATOM 0 HD3 LYS A 80 80.462 40.749 -26.150 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.379 39.532 -28.178 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.046 38.717 -27.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.316 39.339 -29.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.546 40.400 -28.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 80.879 40.932 -29.359 1.00 0.00 H new ATOM 1257 N GLU A 81 81.492 46.018 -26.829 1.00 0.00 N ATOM 1258 CA GLU A 81 82.536 47.036 -26.866 1.00 0.00 C ATOM 1259 C GLU A 81 82.601 47.797 -25.544 1.00 0.00 C ATOM 1260 O GLU A 81 83.670 47.939 -24.950 1.00 0.00 O ATOM 1261 CB GLU A 81 82.286 48.013 -28.017 1.00 0.00 C ATOM 1262 CG GLU A 81 82.298 47.356 -29.387 1.00 0.00 C ATOM 1263 CD GLU A 81 82.976 48.211 -30.439 1.00 0.00 C ATOM 1264 OE1 GLU A 81 82.491 49.334 -30.693 1.00 0.00 O ATOM 1265 OE2 GLU A 81 83.992 47.759 -31.007 1.00 0.00 O ATOM 0 H GLU A 81 80.688 46.216 -27.425 1.00 0.00 H new ATOM 0 HA GLU A 81 83.491 46.535 -27.025 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.323 48.501 -27.866 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.046 48.794 -27.991 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.809 46.396 -29.320 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.273 47.151 -29.696 1.00 0.00 H new ATOM 1272 N ASP A 82 81.451 48.283 -25.091 1.00 0.00 N ATOM 1273 CA ASP A 82 81.376 49.028 -23.840 1.00 0.00 C ATOM 1274 C ASP A 82 81.847 48.172 -22.668 1.00 0.00 C ATOM 1275 O ASP A 82 82.618 48.628 -21.823 1.00 0.00 O ATOM 1276 CB ASP A 82 79.945 49.509 -23.593 1.00 0.00 C ATOM 1277 CG ASP A 82 79.380 50.275 -24.773 1.00 0.00 C ATOM 1278 OD1 ASP A 82 80.166 50.936 -25.482 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.150 50.215 -24.986 1.00 0.00 O ATOM 0 H ASP A 82 80.558 48.174 -25.571 1.00 0.00 H new ATOM 0 HA ASP A 82 82.033 49.894 -23.922 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.308 48.650 -23.382 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.926 50.145 -22.708 1.00 0.00 H new ATOM 1284 N PHE A 83 81.378 46.930 -22.624 1.00 0.00 N ATOM 1285 CA PHE A 83 81.750 46.010 -21.555 1.00 0.00 C ATOM 1286 C PHE A 83 83.216 45.604 -21.673 1.00 0.00 C ATOM 1287 O PHE A 83 83.865 45.281 -20.677 1.00 0.00 O ATOM 1288 CB PHE A 83 80.860 44.766 -21.590 1.00 0.00 C ATOM 1289 CG PHE A 83 79.701 44.832 -20.637 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.913 44.880 -19.269 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.398 44.845 -21.110 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.849 44.941 -18.390 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.330 44.906 -20.236 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.555 44.952 -18.874 1.00 0.00 C ATOM 0 H PHE A 83 80.740 46.537 -23.316 1.00 0.00 H new ATOM 0 HA PHE A 83 81.608 46.522 -20.603 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.480 44.629 -22.603 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.464 43.890 -21.355 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.922 44.870 -18.885 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.216 44.807 -22.174 1.00 0.00 H new ATOM 0 HE1 PHE A 83 79.029 44.980 -17.326 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.320 44.918 -20.617 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.721 44.996 -18.189 1.00 0.00 H new ATOM 1304 N LEU A 84 83.732 45.621 -22.897 1.00 0.00 N ATOM 1305 CA LEU A 84 85.122 45.253 -23.147 1.00 0.00 C ATOM 1306 C LEU A 84 86.074 46.215 -22.444 1.00 0.00 C ATOM 1307 O LEU A 84 87.195 45.847 -22.092 1.00 0.00 O ATOM 1308 CB LEU A 84 85.405 45.245 -24.650 1.00 0.00 C ATOM 1309 CG LEU A 84 85.398 43.874 -25.327 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.351 44.026 -26.839 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.617 43.066 -24.908 1.00 0.00 C ATOM 0 H LEU A 84 83.209 45.886 -23.732 1.00 0.00 H new ATOM 0 HA LEU A 84 85.285 44.252 -22.747 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.664 45.875 -25.142 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.378 45.706 -24.819 1.00 0.00 H new ATOM 0 HG LEU A 84 84.504 43.337 -25.008 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.347 43.040 -27.304 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.447 44.565 -27.123 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.226 44.582 -27.176 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.595 42.093 -25.399 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.523 43.598 -25.197 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.607 42.927 -23.827 1.00 0.00 H new ATOM 1323 N ARG A 85 85.619 47.447 -22.240 1.00 0.00 N ATOM 1324 CA ARG A 85 86.431 48.461 -21.577 1.00 0.00 C ATOM 1325 C ARG A 85 86.453 48.239 -20.068 1.00 0.00 C ATOM 1326 O ARG A 85 87.406 48.619 -19.389 1.00 0.00 O ATOM 1327 CB ARG A 85 85.894 49.859 -21.891 1.00 0.00 C ATOM 1328 CG ARG A 85 85.807 50.159 -23.378 1.00 0.00 C ATOM 1329 CD ARG A 85 84.957 51.390 -23.649 1.00 0.00 C ATOM 1330 NE ARG A 85 84.520 51.458 -25.041 1.00 0.00 N ATOM 1331 CZ ARG A 85 85.331 51.749 -26.052 1.00 0.00 C ATOM 1332 NH1 ARG A 85 86.614 51.996 -25.828 1.00 0.00 N ATOM 1333 NH2 ARG A 85 84.860 51.791 -27.292 1.00 0.00 N ATOM 0 H ARG A 85 84.693 47.767 -22.524 1.00 0.00 H new ATOM 0 HA ARG A 85 87.451 48.378 -21.953 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.903 49.966 -21.449 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.537 50.601 -21.416 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.809 50.312 -23.779 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.383 49.301 -23.899 1.00 0.00 H new ATOM 0 HD2 ARG A 85 84.085 51.379 -22.995 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.528 52.286 -23.404 1.00 0.00 H new ATOM 0 HE ARG A 85 83.539 51.272 -25.248 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.981 51.963 -24.877 1.00 0.00 H new ATOM 0 HH12 ARG A 85 87.234 52.219 -26.607 1.00 0.00 H new ATOM 0 HH21 ARG A 85 83.874 51.600 -27.470 1.00 0.00 H new ATOM 0 HH22 ARG A 85 85.484 52.015 -28.067 1.00 0.00 H new ATOM 1347 N ALA A 86 85.395 47.623 -19.550 1.00 0.00 N ATOM 1348 CA ALA A 86 85.294 47.349 -18.122 1.00 0.00 C ATOM 1349 C ALA A 86 85.927 46.006 -17.774 1.00 0.00 C ATOM 1350 O ALA A 86 86.474 45.829 -16.685 1.00 0.00 O ATOM 1351 CB ALA A 86 83.838 47.378 -17.681 1.00 0.00 C ATOM 0 H ALA A 86 84.596 47.304 -20.098 1.00 0.00 H new ATOM 0 HA ALA A 86 85.840 48.127 -17.589 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.777 47.172 -16.612 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.415 48.362 -17.885 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.277 46.621 -18.229 1.00 0.00 H new ATOM 1357 N THR A 87 85.849 45.061 -18.706 1.00 0.00 N ATOM 1358 CA THR A 87 86.413 43.734 -18.497 1.00 0.00 C ATOM 1359 C THR A 87 86.776 43.075 -19.823 1.00 0.00 C ATOM 1360 O THR A 87 86.463 43.597 -20.894 1.00 0.00 O ATOM 1361 CB THR A 87 85.434 42.821 -17.735 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.090 41.604 -17.359 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.215 42.503 -18.588 1.00 0.00 C ATOM 0 H THR A 87 85.401 45.191 -19.613 1.00 0.00 H new ATOM 0 HA THR A 87 87.316 43.865 -17.900 1.00 0.00 H new ATOM 0 HB THR A 87 85.104 43.347 -16.839 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.846 41.808 -16.770 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.538 41.857 -18.029 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.701 43.429 -18.848 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.531 41.995 -19.499 1.00 0.00 H new ATOM 1371 N THR A 88 87.438 41.925 -19.746 1.00 0.00 N ATOM 1372 CA THR A 88 87.844 41.195 -20.941 1.00 0.00 C ATOM 1373 C THR A 88 86.635 40.630 -21.677 1.00 0.00 C ATOM 1374 O THR A 88 85.512 40.674 -21.173 1.00 0.00 O ATOM 1375 CB THR A 88 88.806 40.043 -20.595 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.229 39.210 -19.584 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.144 40.581 -20.114 1.00 0.00 C ATOM 0 H THR A 88 87.705 41.479 -18.868 1.00 0.00 H new ATOM 0 HA THR A 88 88.359 41.906 -21.587 1.00 0.00 H new ATOM 0 HB THR A 88 88.973 39.455 -21.498 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.846 38.479 -19.371 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.806 39.749 -19.876 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.594 41.190 -20.898 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.992 41.190 -19.223 1.00 0.00 H new ATOM 1385 N LEU A 89 86.871 40.098 -22.871 1.00 0.00 N ATOM 1386 CA LEU A 89 85.800 39.522 -23.677 1.00 0.00 C ATOM 1387 C LEU A 89 85.206 38.293 -22.996 1.00 0.00 C ATOM 1388 O LEU A 89 83.991 38.096 -22.997 1.00 0.00 O ATOM 1389 CB LEU A 89 86.325 39.147 -25.064 1.00 0.00 C ATOM 1390 CG LEU A 89 85.305 39.196 -26.203 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.151 38.244 -25.928 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.793 40.615 -26.400 1.00 0.00 C ATOM 0 H LEU A 89 87.794 40.053 -23.303 1.00 0.00 H new ATOM 0 HA LEU A 89 85.015 40.271 -23.782 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.149 39.816 -25.312 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.737 38.139 -25.015 1.00 0.00 H new ATOM 0 HG LEU A 89 85.799 38.879 -27.121 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.436 38.293 -26.749 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.532 37.227 -25.838 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.657 38.530 -24.999 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.068 40.631 -27.214 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.316 40.960 -25.483 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.628 41.272 -26.644 1.00 0.00 H new ATOM 1404 N TYR A 90 86.071 37.470 -22.414 1.00 0.00 N ATOM 1405 CA TYR A 90 85.633 36.260 -21.729 1.00 0.00 C ATOM 1406 C TYR A 90 84.616 36.588 -20.640 1.00 0.00 C ATOM 1407 O TYR A 90 83.665 35.840 -20.418 1.00 0.00 O ATOM 1408 CB TYR A 90 86.831 35.531 -21.120 1.00 0.00 C ATOM 1409 CG TYR A 90 86.448 34.341 -20.270 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.231 33.094 -20.843 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.304 34.463 -18.893 1.00 0.00 C ATOM 1412 CE1 TYR A 90 85.879 32.004 -20.070 1.00 0.00 C ATOM 1413 CE2 TYR A 90 85.955 33.378 -18.112 1.00 0.00 C ATOM 1414 CZ TYR A 90 85.743 32.151 -18.706 1.00 0.00 C ATOM 1415 OH TYR A 90 85.394 31.067 -17.932 1.00 0.00 O ATOM 0 H TYR A 90 87.080 37.619 -22.403 1.00 0.00 H new ATOM 0 HA TYR A 90 85.156 35.611 -22.463 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.489 35.197 -21.923 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.402 36.233 -20.512 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.339 32.975 -21.911 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.468 35.423 -18.425 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.711 31.042 -20.532 1.00 0.00 H new ATOM 0 HE2 TYR A 90 85.849 33.490 -17.043 1.00 0.00 H new ATOM 0 HH TYR A 90 85.341 31.340 -16.992 1.00 0.00 H new ATOM 1425 N ASN A 91 84.824 37.714 -19.966 1.00 0.00 N ATOM 1426 CA ASN A 91 83.926 38.144 -18.900 1.00 0.00 C ATOM 1427 C ASN A 91 82.711 38.869 -19.471 1.00 0.00 C ATOM 1428 O ASN A 91 81.596 38.729 -18.966 1.00 0.00 O ATOM 1429 CB ASN A 91 84.664 39.057 -17.919 1.00 0.00 C ATOM 1430 CG ASN A 91 85.552 38.282 -16.964 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.473 37.056 -16.881 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.403 38.996 -16.237 1.00 0.00 N ATOM 0 H ASN A 91 85.606 38.345 -20.139 1.00 0.00 H new ATOM 0 HA ASN A 91 83.581 37.256 -18.370 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.271 39.770 -18.477 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.937 39.635 -17.348 1.00 0.00 H new ATOM 0 HD21 ASN A 91 87.026 38.530 -15.577 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.434 40.010 -16.339 1.00 0.00 H new ATOM 1439 N THR A 92 82.934 39.644 -20.528 1.00 0.00 N ATOM 1440 CA THR A 92 81.859 40.391 -21.168 1.00 0.00 C ATOM 1441 C THR A 92 80.735 39.463 -21.616 1.00 0.00 C ATOM 1442 O THR A 92 79.557 39.798 -21.497 1.00 0.00 O ATOM 1443 CB THR A 92 82.372 41.183 -22.385 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.382 42.112 -21.975 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.234 41.930 -23.064 1.00 0.00 C ATOM 0 H THR A 92 83.850 39.770 -20.959 1.00 0.00 H new ATOM 0 HA THR A 92 81.475 41.090 -20.425 1.00 0.00 H new ATOM 0 HB THR A 92 82.797 40.476 -23.097 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.240 41.646 -21.888 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.621 42.482 -23.921 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.481 41.218 -23.401 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.783 42.627 -22.357 1.00 0.00 H new ATOM 1453 N GLU A 93 81.108 38.296 -22.131 1.00 0.00 N ATOM 1454 CA GLU A 93 80.130 37.320 -22.598 1.00 0.00 C ATOM 1455 C GLU A 93 79.381 36.696 -21.423 1.00 0.00 C ATOM 1456 O GLU A 93 78.228 36.287 -21.555 1.00 0.00 O ATOM 1457 CB GLU A 93 80.818 36.226 -23.417 1.00 0.00 C ATOM 1458 CG GLU A 93 81.424 36.729 -24.717 1.00 0.00 C ATOM 1459 CD GLU A 93 80.966 35.930 -25.921 1.00 0.00 C ATOM 1460 OE1 GLU A 93 81.455 34.794 -26.099 1.00 0.00 O ATOM 1461 OE2 GLU A 93 80.121 36.439 -26.686 1.00 0.00 O ATOM 0 H GLU A 93 82.079 38.003 -22.235 1.00 0.00 H new ATOM 0 HA GLU A 93 79.411 37.839 -23.231 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.602 35.770 -22.813 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.094 35.443 -23.642 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.156 37.776 -24.857 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.511 36.685 -24.648 1.00 0.00 H new ATOM 1468 N VAL A 94 80.047 36.627 -20.275 1.00 0.00 N ATOM 1469 CA VAL A 94 79.446 36.054 -19.076 1.00 0.00 C ATOM 1470 C VAL A 94 78.469 37.031 -18.431 1.00 0.00 C ATOM 1471 O VAL A 94 77.529 36.625 -17.746 1.00 0.00 O ATOM 1472 CB VAL A 94 80.518 35.659 -18.044 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.871 35.079 -16.796 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.504 34.672 -18.651 1.00 0.00 C ATOM 0 H VAL A 94 81.003 36.961 -20.150 1.00 0.00 H new ATOM 0 HA VAL A 94 78.908 35.159 -19.388 1.00 0.00 H new ATOM 0 HB VAL A 94 81.067 36.555 -17.756 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.645 34.806 -16.078 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.209 35.822 -16.351 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.295 34.193 -17.063 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.255 34.404 -17.908 1.00 0.00 H new ATOM 0 HG22 VAL A 94 80.972 33.775 -18.969 1.00 0.00 H new ATOM 0 HG23 VAL A 94 81.993 35.129 -19.512 1.00 0.00 H new ATOM 1484 N LEU A 95 78.698 38.320 -18.652 1.00 0.00 N ATOM 1485 CA LEU A 95 77.838 39.357 -18.092 1.00 0.00 C ATOM 1486 C LEU A 95 76.651 39.634 -19.010 1.00 0.00 C ATOM 1487 O LEU A 95 75.496 39.550 -18.591 1.00 0.00 O ATOM 1488 CB LEU A 95 78.635 40.643 -17.868 1.00 0.00 C ATOM 1489 CG LEU A 95 79.852 40.527 -16.949 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.866 41.615 -17.266 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.426 40.600 -15.490 1.00 0.00 C ATOM 0 H LEU A 95 79.472 38.673 -19.215 1.00 0.00 H new ATOM 0 HA LEU A 95 77.458 39.001 -17.134 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.970 41.012 -18.837 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.963 41.396 -17.455 1.00 0.00 H new ATOM 0 HG LEU A 95 80.323 39.559 -17.121 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.725 41.516 -16.602 1.00 0.00 H new ATOM 0 HD12 LEU A 95 81.194 41.516 -18.301 1.00 0.00 H new ATOM 0 HD13 LEU A 95 80.407 42.593 -17.123 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.304 40.516 -14.850 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.931 41.553 -15.303 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.738 39.784 -15.271 1.00 0.00 H new ATOM 1503 N LEU A 96 76.943 39.963 -20.263 1.00 0.00 N ATOM 1504 CA LEU A 96 75.900 40.251 -21.242 1.00 0.00 C ATOM 1505 C LEU A 96 74.907 39.097 -21.334 1.00 0.00 C ATOM 1506 O LEU A 96 73.698 39.294 -21.213 1.00 0.00 O ATOM 1507 CB LEU A 96 76.520 40.515 -22.615 1.00 0.00 C ATOM 1508 CG LEU A 96 75.601 41.159 -23.654 1.00 0.00 C ATOM 1509 CD1 LEU A 96 75.178 42.548 -23.204 1.00 0.00 C ATOM 1510 CD2 LEU A 96 76.291 41.222 -25.009 1.00 0.00 C ATOM 0 H LEU A 96 77.893 40.037 -20.626 1.00 0.00 H new ATOM 0 HA LEU A 96 75.365 41.142 -20.914 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.390 41.158 -22.481 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.882 39.568 -23.016 1.00 0.00 H new ATOM 0 HG LEU A 96 74.707 40.544 -23.752 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.525 42.991 -23.956 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.645 42.477 -22.256 1.00 0.00 H new ATOM 0 HD13 LEU A 96 76.061 43.174 -23.077 1.00 0.00 H new ATOM 0 HD21 LEU A 96 75.623 41.683 -25.736 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.202 41.815 -24.926 1.00 0.00 H new ATOM 0 HD23 LEU A 96 76.543 40.213 -25.336 1.00 0.00 H new ATOM 1522 N SER A 97 75.426 37.892 -21.547 1.00 0.00 N ATOM 1523 CA SER A 97 74.584 36.706 -21.656 1.00 0.00 C ATOM 1524 C SER A 97 73.655 36.586 -20.452 1.00 0.00 C ATOM 1525 O SER A 97 72.484 36.229 -20.590 1.00 0.00 O ATOM 1526 CB SER A 97 75.450 35.449 -21.773 1.00 0.00 C ATOM 1527 OG SER A 97 74.653 34.301 -22.004 1.00 0.00 O ATOM 0 H SER A 97 76.425 37.711 -21.647 1.00 0.00 H new ATOM 0 HA SER A 97 73.975 36.805 -22.554 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.164 35.570 -22.588 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.029 35.316 -20.859 1.00 0.00 H new ATOM 0 HG SER A 97 75.229 33.512 -22.076 1.00 0.00 H new ATOM 1533 N HIS A 98 74.184 36.888 -19.271 1.00 0.00 N ATOM 1534 CA HIS A 98 73.403 36.815 -18.042 1.00 0.00 C ATOM 1535 C HIS A 98 72.281 37.850 -18.049 1.00 0.00 C ATOM 1536 O HIS A 98 71.141 37.547 -17.695 1.00 0.00 O ATOM 1537 CB HIS A 98 74.304 37.031 -16.826 1.00 0.00 C ATOM 1538 CG HIS A 98 73.707 36.542 -15.543 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.389 36.753 -15.197 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.255 35.846 -14.520 1.00 0.00 C ATOM 1541 CE1 HIS A 98 72.153 36.210 -14.017 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.269 35.652 -13.584 1.00 0.00 N ATOM 0 H HIS A 98 75.151 37.186 -19.139 1.00 0.00 H new ATOM 0 HA HIS A 98 72.958 35.822 -17.982 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.253 36.522 -16.993 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.525 38.094 -16.732 1.00 0.00 H new ATOM 0 HD1 HIS A 98 71.703 37.251 -15.764 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.278 35.506 -14.452 1.00 0.00 H new ATOM 0 HE1 HIS A 98 71.208 36.220 -13.495 1.00 0.00 H new ATOM 1550 N LEU A 99 72.613 39.071 -18.453 1.00 0.00 N ATOM 1551 CA LEU A 99 71.634 40.151 -18.506 1.00 0.00 C ATOM 1552 C LEU A 99 70.595 39.893 -19.593 1.00 0.00 C ATOM 1553 O LEU A 99 69.465 40.374 -19.513 1.00 0.00 O ATOM 1554 CB LEU A 99 72.333 41.488 -18.760 1.00 0.00 C ATOM 1555 CG LEU A 99 72.346 42.471 -17.589 1.00 0.00 C ATOM 1556 CD1 LEU A 99 73.008 41.844 -16.372 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.058 43.758 -17.982 1.00 0.00 C ATOM 0 H LEU A 99 73.552 39.338 -18.749 1.00 0.00 H new ATOM 0 HA LEU A 99 71.123 40.192 -17.544 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.364 41.287 -19.051 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.851 41.972 -19.609 1.00 0.00 H new ATOM 0 HG LEU A 99 71.315 42.713 -17.331 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.008 42.559 -15.549 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.457 40.951 -16.077 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.035 41.572 -16.616 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.058 44.446 -17.137 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.086 43.533 -18.267 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.541 44.217 -18.824 1.00 0.00 H new ATOM 1569 N SER A 100 70.986 39.128 -20.608 1.00 0.00 N ATOM 1570 CA SER A 100 70.090 38.807 -21.712 1.00 0.00 C ATOM 1571 C SER A 100 69.233 37.589 -21.379 1.00 0.00 C ATOM 1572 O SER A 100 68.128 37.433 -21.900 1.00 0.00 O ATOM 1573 CB SER A 100 70.892 38.546 -22.988 1.00 0.00 C ATOM 1574 OG SER A 100 70.289 39.174 -24.107 1.00 0.00 O ATOM 0 H SER A 100 71.917 38.719 -20.688 1.00 0.00 H new ATOM 0 HA SER A 100 69.432 39.661 -21.873 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.910 38.916 -22.864 1.00 0.00 H new ATOM 0 HB3 SER A 100 70.963 37.473 -23.164 1.00 0.00 H new ATOM 0 HG SER A 100 70.821 38.994 -24.910 1.00 0.00 H new ATOM 1580 N TYR A 101 69.750 36.730 -20.509 1.00 0.00 N ATOM 1581 CA TYR A 101 69.035 35.524 -20.107 1.00 0.00 C ATOM 1582 C TYR A 101 67.708 35.875 -19.441 1.00 0.00 C ATOM 1583 O TYR A 101 66.685 35.238 -19.694 1.00 0.00 O ATOM 1584 CB TYR A 101 69.893 34.690 -19.155 1.00 0.00 C ATOM 1585 CG TYR A 101 69.175 33.484 -18.592 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.090 32.301 -19.316 1.00 0.00 C ATOM 1587 CD2 TYR A 101 68.583 33.527 -17.336 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.435 31.197 -18.807 1.00 0.00 C ATOM 1589 CE2 TYR A 101 67.927 32.427 -16.818 1.00 0.00 C ATOM 1590 CZ TYR A 101 67.855 31.265 -17.557 1.00 0.00 C ATOM 1591 OH TYR A 101 67.203 30.167 -17.045 1.00 0.00 O ATOM 0 H TYR A 101 70.662 36.846 -20.068 1.00 0.00 H new ATOM 0 HA TYR A 101 68.827 34.939 -21.003 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.787 34.357 -19.682 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.226 35.322 -18.331 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.544 32.244 -20.294 1.00 0.00 H new ATOM 0 HD2 TYR A 101 68.636 34.436 -16.755 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.377 30.286 -19.384 1.00 0.00 H new ATOM 0 HE2 TYR A 101 67.473 32.477 -15.839 1.00 0.00 H new ATOM 0 HH TYR A 101 66.852 30.380 -16.155 1.00 0.00 H new ATOM 1601 N LEU A 102 67.734 36.892 -18.587 1.00 0.00 N ATOM 1602 CA LEU A 102 66.533 37.330 -17.883 1.00 0.00 C ATOM 1603 C LEU A 102 65.498 37.879 -18.860 1.00 0.00 C ATOM 1604 O LEU A 102 64.295 37.701 -18.670 1.00 0.00 O ATOM 1605 CB LEU A 102 66.888 38.397 -16.845 1.00 0.00 C ATOM 1606 CG LEU A 102 67.958 38.010 -15.824 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.649 39.251 -15.280 1.00 0.00 C ATOM 1608 CD2 LEU A 102 67.345 37.199 -14.691 1.00 0.00 C ATOM 0 H LEU A 102 68.573 37.429 -18.365 1.00 0.00 H new ATOM 0 HA LEU A 102 66.103 36.466 -17.376 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.223 39.290 -17.372 1.00 0.00 H new ATOM 0 HB3 LEU A 102 65.980 38.667 -16.305 1.00 0.00 H new ATOM 0 HG LEU A 102 68.704 37.393 -16.324 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.407 38.957 -14.555 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.121 39.793 -16.099 1.00 0.00 H new ATOM 0 HD13 LEU A 102 67.914 39.894 -14.796 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.121 36.932 -13.973 1.00 0.00 H new ATOM 0 HD22 LEU A 102 66.578 37.792 -14.193 1.00 0.00 H new ATOM 0 HD23 LEU A 102 66.896 36.291 -15.095 1.00 0.00 H new