USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=17 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 60:sc= -0.167 USER MOD Set 1.2: A 91 ASN : amide:sc= -4.88! C(o=-5!,f=-10!) USER MOD Set 2.1: A 70 MET CE :methyl -174:sc= -0.0975 (180deg=-0.206) USER MOD Set 2.2: A 78 MET CE :methyl -148:sc= -0.256 (180deg=-1.19) USER MOD Set 3.1: A 57 TYR OH : rot 30:sc= -0.0568 USER MOD Set 3.2: A 98 HIS : no HD1:sc= -0.358 X(o=-0.42,f=-0.71) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00447 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-6.4!) 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 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -150:sc= -0.209 (180deg=-1.34) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00903 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.599 X(o=-0.6,f=-1) USER MOD Single : A 69 ASN : amide:sc= -0.861 K(o=-0.86,f=-3.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 62:sc=-0.00532 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 70:sc= 1.25 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 459 N ILE A 33 66.467 38.278 -5.785 1.00 0.00 N ATOM 460 CA ILE A 33 67.597 38.181 -6.701 1.00 0.00 C ATOM 461 C ILE A 33 67.421 39.118 -7.891 1.00 0.00 C ATOM 462 O ILE A 33 68.393 39.663 -8.415 1.00 0.00 O ATOM 463 CB ILE A 33 67.781 36.742 -7.218 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.024 36.651 -8.106 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.544 36.291 -7.980 1.00 0.00 C ATOM 466 CD1 ILE A 33 69.691 35.294 -8.074 1.00 0.00 C ATOM 0 HA ILE A 33 68.485 38.473 -6.139 1.00 0.00 H new ATOM 0 HB ILE A 33 67.919 36.079 -6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 33 68.745 36.886 -9.133 1.00 0.00 H new ATOM 0 HG13 ILE A 33 69.742 37.408 -7.790 1.00 0.00 H new ATOM 0 HG21 ILE A 33 66.689 35.272 -8.339 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.678 36.323 -7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.377 36.955 -8.829 1.00 0.00 H new ATOM 0 HD11 ILE A 33 70.564 35.302 -8.726 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.001 35.065 -7.055 1.00 0.00 H new ATOM 0 HD13 ILE A 33 68.988 34.535 -8.418 1.00 0.00 H new ATOM 478 N VAL A 34 66.174 39.303 -8.313 1.00 0.00 N ATOM 479 CA VAL A 34 65.870 40.177 -9.439 1.00 0.00 C ATOM 480 C VAL A 34 64.440 40.700 -9.359 1.00 0.00 C ATOM 481 O VAL A 34 63.503 39.969 -9.038 1.00 0.00 O ATOM 482 CB VAL A 34 66.064 39.449 -10.783 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.074 39.963 -11.817 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.494 39.612 -11.274 1.00 0.00 C ATOM 0 H VAL A 34 65.358 38.859 -7.892 1.00 0.00 H new ATOM 0 HA VAL A 34 66.564 41.016 -9.385 1.00 0.00 H new ATOM 0 HB VAL A 34 65.875 38.386 -10.632 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.226 39.437 -12.760 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.057 39.789 -11.465 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.228 41.031 -11.969 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.614 39.092 -12.224 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.714 40.671 -11.410 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.181 39.190 -10.540 1.00 0.00 H new ATOM 494 N PRO A 35 64.266 41.996 -9.658 1.00 0.00 N ATOM 495 CA PRO A 35 62.952 42.645 -9.628 1.00 0.00 C ATOM 496 C PRO A 35 62.041 42.163 -10.751 1.00 0.00 C ATOM 497 O PRO A 35 60.883 41.817 -10.518 1.00 0.00 O ATOM 498 CB PRO A 35 63.286 44.128 -9.810 1.00 0.00 C ATOM 499 CG PRO A 35 64.589 44.137 -10.532 1.00 0.00 C ATOM 500 CD PRO A 35 65.338 42.926 -10.049 1.00 0.00 C ATOM 0 HA PRO A 35 62.410 42.425 -8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.513 44.641 -10.382 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.362 44.637 -8.849 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.438 44.098 -11.611 1.00 0.00 H new ATOM 0 HG3 PRO A 35 65.146 45.050 -10.321 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.969 42.505 -10.832 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.989 43.165 -9.208 1.00 0.00 H new ATOM 508 N ALA A 36 62.571 42.141 -11.970 1.00 0.00 N ATOM 509 CA ALA A 36 61.806 41.698 -13.128 1.00 0.00 C ATOM 510 C ALA A 36 62.657 41.730 -14.393 1.00 0.00 C ATOM 511 O ALA A 36 63.095 40.689 -14.884 1.00 0.00 O ATOM 512 CB ALA A 36 60.565 42.562 -13.303 1.00 0.00 C ATOM 0 H ALA A 36 63.528 42.425 -12.180 1.00 0.00 H new ATOM 0 HA ALA A 36 61.497 40.667 -12.955 1.00 0.00 H new ATOM 0 HB1 ALA A 36 60.003 42.220 -14.172 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.940 42.485 -12.413 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.862 43.600 -13.449 1.00 0.00 H new ATOM 518 N ASP A 37 62.887 42.929 -14.916 1.00 0.00 N ATOM 519 CA ASP A 37 63.687 43.096 -16.124 1.00 0.00 C ATOM 520 C ASP A 37 64.960 43.883 -15.829 1.00 0.00 C ATOM 521 O ASP A 37 65.065 44.586 -14.824 1.00 0.00 O ATOM 522 CB ASP A 37 62.872 43.806 -17.206 1.00 0.00 C ATOM 523 CG ASP A 37 62.184 42.835 -18.145 1.00 0.00 C ATOM 524 OD1 ASP A 37 61.636 41.824 -17.656 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.193 43.085 -19.368 1.00 0.00 O ATOM 0 H ASP A 37 62.531 43.800 -14.522 1.00 0.00 H new ATOM 0 HA ASP A 37 63.969 42.106 -16.483 1.00 0.00 H new ATOM 0 HB2 ASP A 37 62.123 44.442 -16.734 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.528 44.459 -17.781 1.00 0.00 H new ATOM 530 N PRO A 38 65.951 43.762 -16.724 1.00 0.00 N ATOM 531 CA PRO A 38 67.235 44.454 -16.581 1.00 0.00 C ATOM 532 C PRO A 38 67.107 45.961 -16.780 1.00 0.00 C ATOM 533 O PRO A 38 68.023 46.720 -16.463 1.00 0.00 O ATOM 534 CB PRO A 38 68.095 43.840 -17.688 1.00 0.00 C ATOM 535 CG PRO A 38 67.118 43.368 -18.709 1.00 0.00 C ATOM 536 CD PRO A 38 65.895 42.940 -17.945 1.00 0.00 C ATOM 0 HA PRO A 38 67.653 44.334 -15.582 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.783 44.574 -18.108 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.700 43.017 -17.309 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.878 44.162 -19.416 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.527 42.539 -19.287 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.982 43.124 -18.512 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.918 41.875 -17.714 1.00 0.00 H new ATOM 544 N THR A 39 65.964 46.388 -17.307 1.00 0.00 N ATOM 545 CA THR A 39 65.716 47.804 -17.549 1.00 0.00 C ATOM 546 C THR A 39 65.234 48.502 -16.283 1.00 0.00 C ATOM 547 O THR A 39 65.412 49.710 -16.122 1.00 0.00 O ATOM 548 CB THR A 39 64.673 48.009 -18.664 1.00 0.00 C ATOM 549 OG1 THR A 39 63.519 47.200 -18.410 1.00 0.00 O ATOM 550 CG2 THR A 39 65.257 47.655 -20.023 1.00 0.00 C ATOM 0 H THR A 39 65.195 45.773 -17.575 1.00 0.00 H new ATOM 0 HA THR A 39 66.664 48.242 -17.863 1.00 0.00 H new ATOM 0 HB THR A 39 64.385 49.060 -18.673 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.860 47.337 -19.122 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.502 47.808 -20.794 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.118 48.292 -20.226 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.570 46.611 -20.024 1.00 0.00 H new ATOM 558 N LEU A 40 64.625 47.735 -15.386 1.00 0.00 N ATOM 559 CA LEU A 40 64.117 48.280 -14.132 1.00 0.00 C ATOM 560 C LEU A 40 64.988 47.845 -12.957 1.00 0.00 C ATOM 561 O LEU A 40 64.485 47.341 -11.953 1.00 0.00 O ATOM 562 CB LEU A 40 62.673 47.831 -13.905 1.00 0.00 C ATOM 563 CG LEU A 40 61.699 48.096 -15.054 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.470 47.210 -14.927 1.00 0.00 C ATOM 565 CD2 LEU A 40 61.300 49.564 -15.087 1.00 0.00 C ATOM 0 H LEU A 40 64.471 46.734 -15.504 1.00 0.00 H new ATOM 0 HA LEU A 40 64.146 49.368 -14.199 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.675 46.761 -13.696 1.00 0.00 H new ATOM 0 HB3 LEU A 40 62.295 48.329 -13.012 1.00 0.00 H new ATOM 0 HG LEU A 40 62.199 47.855 -15.992 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.788 47.413 -15.753 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.772 46.163 -14.954 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.967 47.418 -13.983 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.607 49.734 -15.911 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.819 49.831 -14.146 1.00 0.00 H new ATOM 0 HD23 LEU A 40 62.189 50.179 -15.228 1.00 0.00 H new ATOM 577 N TRP A 41 66.294 48.046 -13.089 1.00 0.00 N ATOM 578 CA TRP A 41 67.234 47.676 -12.037 1.00 0.00 C ATOM 579 C TRP A 41 67.678 48.903 -11.248 1.00 0.00 C ATOM 580 O TRP A 41 67.560 50.034 -11.720 1.00 0.00 O ATOM 581 CB TRP A 41 68.452 46.972 -12.637 1.00 0.00 C ATOM 582 CG TRP A 41 68.335 45.478 -12.635 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.182 44.746 -12.659 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.411 44.534 -12.606 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.477 43.404 -12.646 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.838 43.247 -12.615 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.804 44.651 -12.576 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.609 42.089 -12.593 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.568 43.500 -12.555 1.00 0.00 C ATOM 590 CH2 TRP A 41 70.970 42.232 -12.564 1.00 0.00 C ATOM 0 H TRP A 41 66.726 48.463 -13.914 1.00 0.00 H new ATOM 0 HA TRP A 41 66.728 46.992 -11.356 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.594 47.317 -13.661 1.00 0.00 H new ATOM 0 HB3 TRP A 41 69.342 47.260 -12.077 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.185 45.161 -12.684 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.793 42.647 -12.658 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.274 45.623 -12.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.150 41.112 -12.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.645 43.578 -12.531 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.595 41.351 -12.548 1.00 0.00 H new ATOM 601 N THR A 42 68.190 48.673 -10.042 1.00 0.00 N ATOM 602 CA THR A 42 68.650 49.759 -9.188 1.00 0.00 C ATOM 603 C THR A 42 70.120 49.585 -8.821 1.00 0.00 C ATOM 604 O THR A 42 70.713 48.539 -9.081 1.00 0.00 O ATOM 605 CB THR A 42 67.818 49.849 -7.895 1.00 0.00 C ATOM 606 OG1 THR A 42 68.194 51.012 -7.149 1.00 0.00 O ATOM 607 CG2 THR A 42 68.012 48.606 -7.039 1.00 0.00 C ATOM 0 H THR A 42 68.296 47.743 -9.636 1.00 0.00 H new ATOM 0 HA THR A 42 68.526 50.681 -9.756 1.00 0.00 H new ATOM 0 HB THR A 42 66.766 49.920 -8.171 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.659 51.062 -6.330 1.00 0.00 H new ATOM 0 HG21 THR A 42 67.415 48.692 -6.131 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.696 47.726 -7.599 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.064 48.508 -6.773 1.00 0.00 H new ATOM 615 N GLN A 43 70.700 50.617 -8.216 1.00 0.00 N ATOM 616 CA GLN A 43 72.101 50.576 -7.814 1.00 0.00 C ATOM 617 C GLN A 43 72.379 49.365 -6.930 1.00 0.00 C ATOM 618 O GLN A 43 73.496 48.850 -6.900 1.00 0.00 O ATOM 619 CB GLN A 43 72.478 51.860 -7.073 1.00 0.00 C ATOM 620 CG GLN A 43 71.751 52.035 -5.749 1.00 0.00 C ATOM 621 CD GLN A 43 72.056 53.364 -5.087 1.00 0.00 C ATOM 622 OE1 GLN A 43 71.598 54.415 -5.538 1.00 0.00 O ATOM 623 NE2 GLN A 43 72.833 53.325 -4.011 1.00 0.00 N ATOM 0 H GLN A 43 70.222 51.490 -7.994 1.00 0.00 H new ATOM 0 HA GLN A 43 72.709 50.492 -8.715 1.00 0.00 H new ATOM 0 HB2 GLN A 43 73.553 51.862 -6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 43 72.261 52.716 -7.713 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.677 51.954 -5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 43 72.031 51.225 -5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 43 73.190 52.432 -3.672 1.00 0.00 H new ATOM 0 HE22 GLN A 43 73.072 54.188 -3.523 1.00 0.00 H new ATOM 632 N GLU A 44 71.355 48.915 -6.211 1.00 0.00 N ATOM 633 CA GLU A 44 71.491 47.765 -5.325 1.00 0.00 C ATOM 634 C GLU A 44 71.575 46.469 -6.126 1.00 0.00 C ATOM 635 O GLU A 44 72.212 45.504 -5.701 1.00 0.00 O ATOM 636 CB GLU A 44 70.311 47.700 -4.353 1.00 0.00 C ATOM 637 CG GLU A 44 70.628 46.967 -3.060 1.00 0.00 C ATOM 638 CD GLU A 44 69.491 46.073 -2.603 1.00 0.00 C ATOM 639 OE1 GLU A 44 68.898 45.383 -3.458 1.00 0.00 O ATOM 640 OE2 GLU A 44 69.196 46.063 -1.389 1.00 0.00 O ATOM 0 H GLU A 44 70.423 49.329 -6.225 1.00 0.00 H new ATOM 0 HA GLU A 44 72.414 47.883 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.990 48.714 -4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.473 47.206 -4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 44 71.526 46.365 -3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 44 70.850 47.694 -2.279 1.00 0.00 H new ATOM 647 N HIS A 45 70.929 46.454 -7.288 1.00 0.00 N ATOM 648 CA HIS A 45 70.931 45.277 -8.149 1.00 0.00 C ATOM 649 C HIS A 45 72.147 45.281 -9.071 1.00 0.00 C ATOM 650 O HIS A 45 72.615 44.227 -9.501 1.00 0.00 O ATOM 651 CB HIS A 45 69.648 45.224 -8.979 1.00 0.00 C ATOM 652 CG HIS A 45 68.442 44.815 -8.190 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.351 45.638 -8.003 1.00 0.00 N ATOM 654 CD2 HIS A 45 68.158 43.662 -7.541 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.449 45.009 -7.271 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.914 43.808 -6.978 1.00 0.00 N ATOM 0 H HIS A 45 70.398 47.244 -7.655 1.00 0.00 H new ATOM 0 HA HIS A 45 70.981 44.393 -7.514 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.469 46.205 -9.419 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.787 44.525 -9.804 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.792 42.790 -7.478 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.494 45.409 -6.964 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.428 43.103 -6.423 1.00 0.00 H new ATOM 664 N VAL A 46 72.653 46.473 -9.371 1.00 0.00 N ATOM 665 CA VAL A 46 73.814 46.613 -10.241 1.00 0.00 C ATOM 666 C VAL A 46 75.092 46.191 -9.525 1.00 0.00 C ATOM 667 O VAL A 46 76.045 45.733 -10.155 1.00 0.00 O ATOM 668 CB VAL A 46 73.971 48.063 -10.737 1.00 0.00 C ATOM 669 CG1 VAL A 46 75.162 48.180 -11.676 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.696 48.534 -11.420 1.00 0.00 C ATOM 0 H VAL A 46 72.277 47.355 -9.024 1.00 0.00 H new ATOM 0 HA VAL A 46 73.649 45.959 -11.097 1.00 0.00 H new ATOM 0 HB VAL A 46 74.153 48.705 -9.875 1.00 0.00 H new ATOM 0 HG11 VAL A 46 75.257 49.211 -12.016 1.00 0.00 H new ATOM 0 HG12 VAL A 46 76.070 47.886 -11.150 1.00 0.00 H new ATOM 0 HG13 VAL A 46 75.013 47.527 -12.536 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.825 49.560 -11.764 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.481 47.890 -12.273 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.867 48.490 -10.714 1.00 0.00 H new ATOM 680 N ARG A 47 75.104 46.349 -8.206 1.00 0.00 N ATOM 681 CA ARG A 47 76.266 45.985 -7.404 1.00 0.00 C ATOM 682 C ARG A 47 76.194 44.522 -6.977 1.00 0.00 C ATOM 683 O ARG A 47 77.116 43.747 -7.230 1.00 0.00 O ATOM 684 CB ARG A 47 76.361 46.884 -6.169 1.00 0.00 C ATOM 685 CG ARG A 47 77.769 47.382 -5.886 1.00 0.00 C ATOM 686 CD ARG A 47 77.913 47.859 -4.450 1.00 0.00 C ATOM 687 NE ARG A 47 79.185 47.449 -3.862 1.00 0.00 N ATOM 688 CZ ARG A 47 80.343 48.044 -4.125 1.00 0.00 C ATOM 689 NH1 ARG A 47 80.388 49.072 -4.962 1.00 0.00 N ATOM 690 NH2 ARG A 47 81.458 47.613 -3.550 1.00 0.00 N ATOM 0 H ARG A 47 74.323 46.726 -7.670 1.00 0.00 H new ATOM 0 HA ARG A 47 77.157 46.124 -8.016 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.701 47.741 -6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 47 75.998 46.334 -5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 47 78.484 46.582 -6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 47 78.011 48.197 -6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 47 77.833 48.946 -4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 47 77.093 47.462 -3.852 1.00 0.00 H new ATOM 0 HE ARG A 47 79.184 46.662 -3.213 1.00 0.00 H new ATOM 0 HH11 ARG A 47 79.532 49.407 -5.405 1.00 0.00 H new ATOM 0 HH12 ARG A 47 81.278 49.528 -5.163 1.00 0.00 H new ATOM 0 HH21 ARG A 47 81.427 46.824 -2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 47 82.346 48.071 -3.753 1.00 0.00 H new ATOM 704 N GLN A 48 75.095 44.153 -6.328 1.00 0.00 N ATOM 705 CA GLN A 48 74.905 42.783 -5.865 1.00 0.00 C ATOM 706 C GLN A 48 75.118 41.790 -7.002 1.00 0.00 C ATOM 707 O GLN A 48 75.850 40.811 -6.854 1.00 0.00 O ATOM 708 CB GLN A 48 73.503 42.611 -5.278 1.00 0.00 C ATOM 709 CG GLN A 48 73.387 43.071 -3.833 1.00 0.00 C ATOM 710 CD GLN A 48 73.590 41.942 -2.843 1.00 0.00 C ATOM 711 OE1 GLN A 48 74.718 41.638 -2.453 1.00 0.00 O ATOM 712 NE2 GLN A 48 72.496 41.312 -2.430 1.00 0.00 N ATOM 0 H GLN A 48 74.323 44.783 -6.111 1.00 0.00 H new ATOM 0 HA GLN A 48 75.644 42.583 -5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.792 43.170 -5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.219 41.561 -5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 48 74.124 43.852 -3.644 1.00 0.00 H new ATOM 0 HG3 GLN A 48 72.404 43.515 -3.675 1.00 0.00 H new ATOM 0 HE21 GLN A 48 71.581 41.597 -2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 48 72.571 40.543 -1.764 1.00 0.00 H new ATOM 721 N TRP A 49 74.475 42.048 -8.135 1.00 0.00 N ATOM 722 CA TRP A 49 74.594 41.176 -9.297 1.00 0.00 C ATOM 723 C TRP A 49 76.058 40.933 -9.648 1.00 0.00 C ATOM 724 O TRP A 49 76.472 39.796 -9.880 1.00 0.00 O ATOM 725 CB TRP A 49 73.864 41.785 -10.495 1.00 0.00 C ATOM 726 CG TRP A 49 74.063 41.016 -11.766 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.626 39.750 -12.035 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.752 41.462 -12.939 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.001 39.383 -13.305 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.692 40.416 -13.881 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.411 42.644 -13.287 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.268 40.519 -15.144 1.00 0.00 C ATOM 733 CZ3 TRP A 49 75.982 42.744 -14.541 1.00 0.00 C ATOM 734 CH2 TRP A 49 75.907 41.687 -15.458 1.00 0.00 C ATOM 0 H TRP A 49 73.866 42.854 -8.273 1.00 0.00 H new ATOM 0 HA TRP A 49 74.135 40.219 -9.050 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.798 41.837 -10.274 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.210 42.808 -10.640 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.068 39.129 -11.350 1.00 0.00 H new ATOM 0 HE1 TRP A 49 73.798 38.487 -13.747 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.473 43.465 -12.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.212 39.705 -15.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.495 43.653 -14.819 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.362 41.797 -16.431 1.00 0.00 H new ATOM 745 N LEU A 50 76.839 42.008 -9.685 1.00 0.00 N ATOM 746 CA LEU A 50 78.258 41.911 -10.008 1.00 0.00 C ATOM 747 C LEU A 50 79.001 41.095 -8.955 1.00 0.00 C ATOM 748 O LEU A 50 79.710 40.143 -9.282 1.00 0.00 O ATOM 749 CB LEU A 50 78.873 43.308 -10.114 1.00 0.00 C ATOM 750 CG LEU A 50 80.158 43.415 -10.936 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.838 43.465 -12.422 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.958 44.640 -10.519 1.00 0.00 C ATOM 0 H LEU A 50 76.513 42.956 -9.495 1.00 0.00 H new ATOM 0 HA LEU A 50 78.354 41.404 -10.968 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.131 43.978 -10.548 1.00 0.00 H new ATOM 0 HB3 LEU A 50 79.079 43.670 -9.107 1.00 0.00 H new ATOM 0 HG LEU A 50 80.763 42.529 -10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.764 43.541 -12.991 1.00 0.00 H new ATOM 0 HD12 LEU A 50 79.308 42.557 -12.711 1.00 0.00 H new ATOM 0 HD13 LEU A 50 79.212 44.333 -12.630 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.869 44.700 -11.115 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.360 45.537 -10.680 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.219 44.562 -9.464 1.00 0.00 H new ATOM 764 N GLU A 51 78.833 41.473 -7.692 1.00 0.00 N ATOM 765 CA GLU A 51 79.487 40.774 -6.592 1.00 0.00 C ATOM 766 C GLU A 51 79.132 39.289 -6.603 1.00 0.00 C ATOM 767 O GLU A 51 79.897 38.454 -6.121 1.00 0.00 O ATOM 768 CB GLU A 51 79.086 41.395 -5.253 1.00 0.00 C ATOM 769 CG GLU A 51 79.995 42.530 -4.812 1.00 0.00 C ATOM 770 CD GLU A 51 79.789 42.912 -3.359 1.00 0.00 C ATOM 771 OE1 GLU A 51 80.231 42.147 -2.477 1.00 0.00 O ATOM 772 OE2 GLU A 51 79.186 43.976 -3.105 1.00 0.00 O ATOM 0 H GLU A 51 78.250 42.259 -7.405 1.00 0.00 H new ATOM 0 HA GLU A 51 80.565 40.874 -6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.064 41.767 -5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.089 40.620 -4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 51 81.034 42.238 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.814 43.401 -5.442 1.00 0.00 H new ATOM 779 N TRP A 52 77.967 38.970 -7.155 1.00 0.00 N ATOM 780 CA TRP A 52 77.509 37.587 -7.228 1.00 0.00 C ATOM 781 C TRP A 52 78.275 36.816 -8.297 1.00 0.00 C ATOM 782 O TRP A 52 78.805 35.737 -8.037 1.00 0.00 O ATOM 783 CB TRP A 52 76.009 37.540 -7.523 1.00 0.00 C ATOM 784 CG TRP A 52 75.473 36.146 -7.649 1.00 0.00 C ATOM 785 CD1 TRP A 52 75.041 35.340 -6.635 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.313 35.395 -8.857 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.622 34.132 -7.140 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.778 34.141 -8.501 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.568 35.660 -10.206 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.496 33.158 -9.445 1.00 0.00 C ATOM 791 CZ3 TRP A 52 75.287 34.682 -11.141 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.755 33.444 -10.758 1.00 0.00 C ATOM 0 H TRP A 52 77.322 39.650 -7.558 1.00 0.00 H new ATOM 0 HA TRP A 52 77.697 37.116 -6.263 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.473 38.057 -6.727 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.810 38.083 -8.447 1.00 0.00 H new ATOM 0 HD1 TRP A 52 75.030 35.612 -5.590 1.00 0.00 H new ATOM 0 HE1 TRP A 52 74.255 33.355 -6.591 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.977 36.612 -10.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 74.087 32.203 -9.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.481 34.876 -12.186 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.545 32.701 -11.513 1.00 0.00 H new ATOM 803 N ALA A 53 78.330 37.378 -9.501 1.00 0.00 N ATOM 804 CA ALA A 53 79.034 36.743 -10.608 1.00 0.00 C ATOM 805 C ALA A 53 80.510 36.549 -10.282 1.00 0.00 C ATOM 806 O ALA A 53 81.062 35.467 -10.480 1.00 0.00 O ATOM 807 CB ALA A 53 78.875 37.569 -11.876 1.00 0.00 C ATOM 0 H ALA A 53 77.896 38.271 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 53 78.594 35.759 -10.770 1.00 0.00 H new ATOM 0 HB1 ALA A 53 79.406 37.084 -12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.817 37.651 -12.127 1.00 0.00 H new ATOM 0 HB3 ALA A 53 79.288 38.565 -11.716 1.00 0.00 H new ATOM 813 N ILE A 54 81.144 37.605 -9.782 1.00 0.00 N ATOM 814 CA ILE A 54 82.557 37.549 -9.428 1.00 0.00 C ATOM 815 C ILE A 54 82.830 36.431 -8.427 1.00 0.00 C ATOM 816 O ILE A 54 83.944 35.913 -8.347 1.00 0.00 O ATOM 817 CB ILE A 54 83.041 38.885 -8.832 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.810 40.025 -9.826 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.512 38.794 -8.455 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.967 41.400 -9.215 1.00 0.00 C ATOM 0 H ILE A 54 80.702 38.509 -9.613 1.00 0.00 H new ATOM 0 HA ILE A 54 83.105 37.351 -10.349 1.00 0.00 H new ATOM 0 HB ILE A 54 82.467 39.093 -7.929 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.511 39.922 -10.654 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.807 39.934 -10.244 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.840 39.745 -8.035 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.650 38.005 -7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 54 85.102 38.567 -9.343 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.789 42.159 -9.977 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.247 41.523 -8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.978 41.510 -8.822 1.00 0.00 H new ATOM 832 N LYS A 55 81.805 36.062 -7.667 1.00 0.00 N ATOM 833 CA LYS A 55 81.931 35.003 -6.673 1.00 0.00 C ATOM 834 C LYS A 55 81.608 33.643 -7.283 1.00 0.00 C ATOM 835 O LYS A 55 82.477 32.777 -7.384 1.00 0.00 O ATOM 836 CB LYS A 55 81.002 35.275 -5.487 1.00 0.00 C ATOM 837 CG LYS A 55 80.775 34.062 -4.602 1.00 0.00 C ATOM 838 CD LYS A 55 80.646 34.454 -3.140 1.00 0.00 C ATOM 839 CE LYS A 55 82.002 34.759 -2.522 1.00 0.00 C ATOM 840 NZ LYS A 55 81.871 35.387 -1.178 1.00 0.00 N ATOM 0 H LYS A 55 80.877 36.481 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 55 82.963 34.989 -6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.422 36.080 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.041 35.626 -5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 55 79.872 33.542 -4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.604 33.364 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 55 80.000 35.328 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 55 80.166 33.647 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 55 82.578 33.838 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.560 35.424 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 82.817 35.579 -0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 81.343 36.279 -1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 81.361 34.742 -0.542 1.00 0.00 H new ATOM 854 N GLU A 56 80.356 33.464 -7.690 1.00 0.00 N ATOM 855 CA GLU A 56 79.920 32.209 -8.291 1.00 0.00 C ATOM 856 C GLU A 56 80.841 31.807 -9.440 1.00 0.00 C ATOM 857 O GLU A 56 81.520 30.782 -9.376 1.00 0.00 O ATOM 858 CB GLU A 56 78.481 32.331 -8.796 1.00 0.00 C ATOM 859 CG GLU A 56 77.593 31.167 -8.390 1.00 0.00 C ATOM 860 CD GLU A 56 78.285 29.826 -8.537 1.00 0.00 C ATOM 861 OE1 GLU A 56 78.905 29.590 -9.595 1.00 0.00 O ATOM 862 OE2 GLU A 56 78.207 29.013 -7.592 1.00 0.00 O ATOM 0 H GLU A 56 79.625 34.172 -7.615 1.00 0.00 H new ATOM 0 HA GLU A 56 79.964 31.435 -7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 56 78.049 33.257 -8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.492 32.407 -9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 56 77.279 31.298 -7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 56 76.690 31.174 -9.000 1.00 0.00 H new ATOM 869 N TYR A 57 80.859 32.622 -10.488 1.00 0.00 N ATOM 870 CA TYR A 57 81.694 32.352 -11.653 1.00 0.00 C ATOM 871 C TYR A 57 83.173 32.377 -11.280 1.00 0.00 C ATOM 872 O TYR A 57 83.998 31.731 -11.926 1.00 0.00 O ATOM 873 CB TYR A 57 81.417 33.377 -12.754 1.00 0.00 C ATOM 874 CG TYR A 57 79.959 33.466 -13.146 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.194 32.318 -13.317 1.00 0.00 C ATOM 876 CD2 TYR A 57 79.346 34.697 -13.345 1.00 0.00 C ATOM 877 CE1 TYR A 57 77.862 32.394 -13.675 1.00 0.00 C ATOM 878 CE2 TYR A 57 78.015 34.782 -13.702 1.00 0.00 C ATOM 879 CZ TYR A 57 77.277 33.629 -13.866 1.00 0.00 C ATOM 880 OH TYR A 57 75.950 33.710 -14.223 1.00 0.00 O ATOM 0 H TYR A 57 80.305 33.476 -10.555 1.00 0.00 H new ATOM 0 HA TYR A 57 81.447 31.357 -12.022 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.755 34.358 -12.419 1.00 0.00 H new ATOM 0 HB3 TYR A 57 82.006 33.120 -13.634 1.00 0.00 H new ATOM 0 HD1 TYR A 57 79.649 31.350 -13.167 1.00 0.00 H new ATOM 0 HD2 TYR A 57 79.920 35.603 -13.218 1.00 0.00 H new ATOM 0 HE1 TYR A 57 77.282 31.492 -13.805 1.00 0.00 H new ATOM 0 HE2 TYR A 57 77.554 35.747 -13.852 1.00 0.00 H new ATOM 0 HH TYR A 57 75.465 32.943 -13.854 1.00 0.00 H new ATOM 890 N SER A 58 83.500 33.127 -10.233 1.00 0.00 N ATOM 891 CA SER A 58 84.880 33.239 -9.774 1.00 0.00 C ATOM 892 C SER A 58 85.757 33.880 -10.845 1.00 0.00 C ATOM 893 O SER A 58 86.746 33.293 -11.288 1.00 0.00 O ATOM 894 CB SER A 58 85.431 31.861 -9.405 1.00 0.00 C ATOM 895 OG SER A 58 86.534 31.973 -8.522 1.00 0.00 O ATOM 0 H SER A 58 82.829 33.666 -9.686 1.00 0.00 H new ATOM 0 HA SER A 58 84.892 33.875 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.647 31.265 -8.938 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.737 31.334 -10.309 1.00 0.00 H new ATOM 0 HG SER A 58 86.867 31.079 -8.300 1.00 0.00 H new ATOM 901 N LEU A 59 85.389 35.088 -11.258 1.00 0.00 N ATOM 902 CA LEU A 59 86.142 35.810 -12.277 1.00 0.00 C ATOM 903 C LEU A 59 87.461 36.330 -11.714 1.00 0.00 C ATOM 904 O LEU A 59 87.856 35.976 -10.604 1.00 0.00 O ATOM 905 CB LEU A 59 85.313 36.975 -12.822 1.00 0.00 C ATOM 906 CG LEU A 59 83.851 36.665 -13.144 1.00 0.00 C ATOM 907 CD1 LEU A 59 83.109 37.934 -13.533 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.757 35.628 -14.254 1.00 0.00 C ATOM 0 H LEU A 59 84.574 35.588 -10.903 1.00 0.00 H new ATOM 0 HA LEU A 59 86.363 35.117 -13.089 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.340 37.786 -12.094 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.793 37.344 -13.728 1.00 0.00 H new ATOM 0 HG LEU A 59 83.382 36.254 -12.250 1.00 0.00 H new ATOM 0 HD11 LEU A 59 82.070 37.693 -13.759 1.00 0.00 H new ATOM 0 HD12 LEU A 59 83.146 38.645 -12.707 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.578 38.375 -14.412 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.709 35.420 -14.470 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.243 36.011 -15.151 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.251 34.710 -13.937 1.00 0.00 H new ATOM 920 N MET A 60 88.137 37.174 -12.488 1.00 0.00 N ATOM 921 CA MET A 60 89.410 37.745 -12.064 1.00 0.00 C ATOM 922 C MET A 60 89.660 39.084 -12.751 1.00 0.00 C ATOM 923 O MET A 60 89.516 39.204 -13.967 1.00 0.00 O ATOM 924 CB MET A 60 90.555 36.779 -12.372 1.00 0.00 C ATOM 925 CG MET A 60 90.625 36.365 -13.833 1.00 0.00 C ATOM 926 SD MET A 60 90.819 34.584 -14.042 1.00 0.00 S ATOM 927 CE MET A 60 92.144 34.250 -12.885 1.00 0.00 C ATOM 0 H MET A 60 87.825 37.477 -13.411 1.00 0.00 H new ATOM 0 HA MET A 60 89.365 37.911 -10.988 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.499 37.245 -12.090 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.443 35.887 -11.755 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.718 36.690 -14.343 1.00 0.00 H new ATOM 0 HG3 MET A 60 91.460 36.876 -14.312 1.00 0.00 H new ATOM 0 HE1 MET A 60 92.729 33.401 -13.237 1.00 0.00 H new ATOM 0 HE2 MET A 60 92.787 35.126 -12.806 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.723 34.020 -11.906 1.00 0.00 H new ATOM 937 N GLU A 61 90.036 40.087 -11.964 1.00 0.00 N ATOM 938 CA GLU A 61 90.305 41.417 -12.498 1.00 0.00 C ATOM 939 C GLU A 61 89.073 41.981 -13.201 1.00 0.00 C ATOM 940 O GLU A 61 88.847 41.720 -14.383 1.00 0.00 O ATOM 941 CB GLU A 61 91.485 41.371 -13.471 1.00 0.00 C ATOM 942 CG GLU A 61 92.833 41.587 -12.805 1.00 0.00 C ATOM 943 CD GLU A 61 93.817 42.314 -13.700 1.00 0.00 C ATOM 944 OE1 GLU A 61 93.857 42.008 -14.910 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.547 43.190 -13.191 1.00 0.00 O ATOM 0 H GLU A 61 90.161 40.004 -10.955 1.00 0.00 H new ATOM 0 HA GLU A 61 90.557 42.071 -11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 61 91.490 40.406 -13.977 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.342 42.132 -14.238 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.693 42.158 -11.887 1.00 0.00 H new ATOM 0 HG3 GLU A 61 93.252 40.622 -12.520 1.00 0.00 H new ATOM 952 N ILE A 62 88.281 42.753 -12.465 1.00 0.00 N ATOM 953 CA ILE A 62 87.073 43.353 -13.018 1.00 0.00 C ATOM 954 C ILE A 62 86.801 44.716 -12.391 1.00 0.00 C ATOM 955 O ILE A 62 86.980 44.905 -11.188 1.00 0.00 O ATOM 956 CB ILE A 62 85.846 42.448 -12.804 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.646 42.985 -13.586 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.515 42.345 -11.322 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.574 41.947 -13.837 1.00 0.00 C ATOM 0 H ILE A 62 88.454 42.978 -11.485 1.00 0.00 H new ATOM 0 HA ILE A 62 87.242 43.474 -14.088 1.00 0.00 H new ATOM 0 HB ILE A 62 86.081 41.450 -13.175 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.210 43.820 -13.038 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.992 43.377 -14.543 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.645 41.702 -11.187 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.366 41.922 -10.788 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.297 43.338 -10.928 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.754 42.398 -14.396 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.994 41.122 -14.412 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.200 41.572 -12.884 1.00 0.00 H new ATOM 971 N ASP A 63 86.365 45.663 -13.215 1.00 0.00 N ATOM 972 CA ASP A 63 86.065 47.009 -12.741 1.00 0.00 C ATOM 973 C ASP A 63 84.796 47.017 -11.895 1.00 0.00 C ATOM 974 O ASP A 63 83.780 46.431 -12.272 1.00 0.00 O ATOM 975 CB ASP A 63 85.909 47.966 -13.924 1.00 0.00 C ATOM 976 CG ASP A 63 87.241 48.495 -14.420 1.00 0.00 C ATOM 977 OD1 ASP A 63 88.248 48.334 -13.700 1.00 0.00 O ATOM 978 OD2 ASP A 63 87.276 49.071 -15.528 1.00 0.00 O ATOM 0 H ASP A 63 86.212 45.523 -14.214 1.00 0.00 H new ATOM 0 HA ASP A 63 86.897 47.343 -12.120 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.399 47.452 -14.739 1.00 0.00 H new ATOM 0 HB3 ASP A 63 85.276 48.803 -13.630 1.00 0.00 H new ATOM 983 N THR A 64 84.860 47.684 -10.746 1.00 0.00 N ATOM 984 CA THR A 64 83.718 47.766 -9.845 1.00 0.00 C ATOM 985 C THR A 64 83.127 49.171 -9.832 1.00 0.00 C ATOM 986 O THR A 64 81.913 49.343 -9.732 1.00 0.00 O ATOM 987 CB THR A 64 84.107 47.372 -8.408 1.00 0.00 C ATOM 988 OG1 THR A 64 85.516 47.544 -8.217 1.00 0.00 O ATOM 989 CG2 THR A 64 83.723 45.929 -8.119 1.00 0.00 C ATOM 0 H THR A 64 85.692 48.175 -10.418 1.00 0.00 H new ATOM 0 HA THR A 64 82.971 47.064 -10.217 1.00 0.00 H new ATOM 0 HB THR A 64 83.566 48.020 -7.718 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.755 47.293 -7.300 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.008 45.674 -7.098 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.646 45.809 -8.236 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.240 45.269 -8.815 1.00 0.00 H new ATOM 997 N SER A 65 83.994 50.173 -9.936 1.00 0.00 N ATOM 998 CA SER A 65 83.558 51.565 -9.934 1.00 0.00 C ATOM 999 C SER A 65 82.558 51.823 -11.057 1.00 0.00 C ATOM 1000 O SER A 65 81.719 52.718 -10.964 1.00 0.00 O ATOM 1001 CB SER A 65 84.760 52.499 -10.081 1.00 0.00 C ATOM 1002 OG SER A 65 85.587 52.100 -11.161 1.00 0.00 O ATOM 0 H SER A 65 85.002 50.047 -10.023 1.00 0.00 H new ATOM 0 HA SER A 65 83.067 51.764 -8.981 1.00 0.00 H new ATOM 0 HB2 SER A 65 84.414 53.520 -10.242 1.00 0.00 H new ATOM 0 HB3 SER A 65 85.338 52.501 -9.157 1.00 0.00 H new ATOM 0 HG SER A 65 86.347 52.714 -11.235 1.00 0.00 H new ATOM 1008 N PHE A 66 82.655 51.031 -12.120 1.00 0.00 N ATOM 1009 CA PHE A 66 81.761 51.173 -13.264 1.00 0.00 C ATOM 1010 C PHE A 66 80.347 50.722 -12.908 1.00 0.00 C ATOM 1011 O PHE A 66 79.371 51.178 -13.503 1.00 0.00 O ATOM 1012 CB PHE A 66 82.284 50.361 -14.451 1.00 0.00 C ATOM 1013 CG PHE A 66 82.371 51.151 -15.725 1.00 0.00 C ATOM 1014 CD1 PHE A 66 81.223 51.514 -16.410 1.00 0.00 C ATOM 1015 CD2 PHE A 66 83.601 51.530 -16.239 1.00 0.00 C ATOM 1016 CE1 PHE A 66 81.299 52.241 -17.583 1.00 0.00 C ATOM 1017 CE2 PHE A 66 83.683 52.257 -17.411 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.531 52.612 -18.085 1.00 0.00 C ATOM 0 H PHE A 66 83.344 50.284 -12.213 1.00 0.00 H new ATOM 0 HA PHE A 66 81.729 52.227 -13.540 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.272 49.970 -14.207 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.632 49.502 -14.609 1.00 0.00 H new ATOM 0 HD1 PHE A 66 80.257 51.225 -16.023 1.00 0.00 H new ATOM 0 HD2 PHE A 66 84.506 51.254 -15.718 1.00 0.00 H new ATOM 0 HE1 PHE A 66 80.396 52.519 -18.106 1.00 0.00 H new ATOM 0 HE2 PHE A 66 84.648 52.548 -17.800 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.593 53.178 -19.002 1.00 0.00 H new ATOM 1028 N PHE A 67 80.247 49.824 -11.934 1.00 0.00 N ATOM 1029 CA PHE A 67 78.953 49.310 -11.499 1.00 0.00 C ATOM 1030 C PHE A 67 78.657 49.729 -10.062 1.00 0.00 C ATOM 1031 O PHE A 67 77.915 49.053 -9.349 1.00 0.00 O ATOM 1032 CB PHE A 67 78.923 47.784 -11.614 1.00 0.00 C ATOM 1033 CG PHE A 67 79.454 47.271 -12.922 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.681 47.331 -14.070 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.726 46.727 -13.002 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.167 46.860 -15.275 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.217 46.254 -14.204 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.437 46.320 -15.342 1.00 0.00 C ATOM 0 H PHE A 67 81.046 49.437 -11.431 1.00 0.00 H new ATOM 0 HA PHE A 67 78.185 49.732 -12.147 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.508 47.355 -10.800 1.00 0.00 H new ATOM 0 HB3 PHE A 67 77.897 47.438 -11.487 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.687 47.751 -14.023 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.340 46.672 -12.115 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.555 46.914 -16.163 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.210 45.833 -14.254 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.819 45.950 -16.282 1.00 0.00 H new ATOM 1048 N GLN A 68 79.242 50.847 -9.646 1.00 0.00 N ATOM 1049 CA GLN A 68 79.041 51.356 -8.294 1.00 0.00 C ATOM 1050 C GLN A 68 77.763 52.184 -8.208 1.00 0.00 C ATOM 1051 O GLN A 68 77.109 52.227 -7.166 1.00 0.00 O ATOM 1052 CB GLN A 68 80.241 52.200 -7.861 1.00 0.00 C ATOM 1053 CG GLN A 68 80.294 53.567 -8.525 1.00 0.00 C ATOM 1054 CD GLN A 68 81.662 54.212 -8.423 1.00 0.00 C ATOM 1055 OE1 GLN A 68 82.181 54.751 -9.401 1.00 0.00 O ATOM 1056 NE2 GLN A 68 82.254 54.161 -7.236 1.00 0.00 N ATOM 0 H GLN A 68 79.858 51.418 -10.225 1.00 0.00 H new ATOM 0 HA GLN A 68 78.944 50.503 -7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.211 52.331 -6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.158 51.658 -8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 68 80.021 53.467 -9.575 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.553 54.220 -8.064 1.00 0.00 H new ATOM 0 HE21 GLN A 68 81.787 53.704 -6.453 1.00 0.00 H new ATOM 0 HE22 GLN A 68 83.176 54.579 -7.107 1.00 0.00 H new ATOM 1065 N ASN A 69 77.414 52.840 -9.309 1.00 0.00 N ATOM 1066 CA ASN A 69 76.214 53.668 -9.358 1.00 0.00 C ATOM 1067 C ASN A 69 75.708 53.808 -10.790 1.00 0.00 C ATOM 1068 O ASN A 69 75.292 54.888 -11.209 1.00 0.00 O ATOM 1069 CB ASN A 69 76.499 55.050 -8.768 1.00 0.00 C ATOM 1070 CG ASN A 69 77.770 55.665 -9.322 1.00 0.00 C ATOM 1071 OD1 ASN A 69 78.229 55.299 -10.404 1.00 0.00 O ATOM 1072 ND2 ASN A 69 78.346 56.604 -8.580 1.00 0.00 N ATOM 0 H ASN A 69 77.945 52.815 -10.180 1.00 0.00 H new ATOM 0 HA ASN A 69 75.441 53.180 -8.765 1.00 0.00 H new ATOM 0 HB2 ASN A 69 75.658 55.711 -8.976 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.580 54.969 -7.684 1.00 0.00 H new ATOM 0 HD21 ASN A 69 79.204 57.053 -8.901 1.00 0.00 H new ATOM 0 HD22 ASN A 69 77.930 56.876 -7.689 1.00 0.00 H new ATOM 1079 N MET A 70 75.746 52.709 -11.536 1.00 0.00 N ATOM 1080 CA MET A 70 75.288 52.709 -12.921 1.00 0.00 C ATOM 1081 C MET A 70 73.803 52.375 -13.003 1.00 0.00 C ATOM 1082 O MET A 70 73.331 51.439 -12.357 1.00 0.00 O ATOM 1083 CB MET A 70 76.096 51.706 -13.747 1.00 0.00 C ATOM 1084 CG MET A 70 75.858 51.821 -15.244 1.00 0.00 C ATOM 1085 SD MET A 70 77.390 51.983 -16.180 1.00 0.00 S ATOM 1086 CE MET A 70 77.760 50.265 -16.525 1.00 0.00 C ATOM 0 H MET A 70 76.089 51.807 -11.205 1.00 0.00 H new ATOM 0 HA MET A 70 75.439 53.709 -13.328 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.157 51.851 -13.544 1.00 0.00 H new ATOM 0 HB3 MET A 70 75.845 50.696 -13.424 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.316 50.941 -15.591 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.223 52.684 -15.442 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.735 50.192 -17.006 1.00 0.00 H new ATOM 0 HE2 MET A 70 77.773 49.701 -15.592 1.00 0.00 H new ATOM 0 HE3 MET A 70 76.997 49.854 -17.187 1.00 0.00 H new ATOM 1096 N ASP A 71 73.070 53.145 -13.800 1.00 0.00 N ATOM 1097 CA ASP A 71 71.638 52.929 -13.967 1.00 0.00 C ATOM 1098 C ASP A 71 71.366 51.600 -14.666 1.00 0.00 C ATOM 1099 O ASP A 71 72.031 51.253 -15.641 1.00 0.00 O ATOM 1100 CB ASP A 71 71.017 54.076 -14.766 1.00 0.00 C ATOM 1101 CG ASP A 71 71.574 55.428 -14.366 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.696 55.683 -13.149 1.00 0.00 O ATOM 1103 OD2 ASP A 71 71.888 56.230 -15.269 1.00 0.00 O ATOM 0 H ASP A 71 73.444 53.925 -14.341 1.00 0.00 H new ATOM 0 HA ASP A 71 71.183 52.898 -12.977 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.195 53.913 -15.829 1.00 0.00 H new ATOM 0 HB3 ASP A 71 69.937 54.074 -14.620 1.00 0.00 H new ATOM 1108 N GLY A 72 70.385 50.860 -14.159 1.00 0.00 N ATOM 1109 CA GLY A 72 70.043 49.578 -14.745 1.00 0.00 C ATOM 1110 C GLY A 72 69.788 49.672 -16.237 1.00 0.00 C ATOM 1111 O GLY A 72 70.038 48.722 -16.979 1.00 0.00 O ATOM 0 H GLY A 72 69.821 51.126 -13.352 1.00 0.00 H new ATOM 0 HA2 GLY A 72 70.852 48.871 -14.562 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.155 49.182 -14.252 1.00 0.00 H new ATOM 1115 N LYS A 73 69.286 50.820 -16.678 1.00 0.00 N ATOM 1116 CA LYS A 73 68.995 51.037 -18.090 1.00 0.00 C ATOM 1117 C LYS A 73 70.279 51.046 -18.915 1.00 0.00 C ATOM 1118 O LYS A 73 70.317 50.516 -20.024 1.00 0.00 O ATOM 1119 CB LYS A 73 68.244 52.356 -18.281 1.00 0.00 C ATOM 1120 CG LYS A 73 66.737 52.192 -18.363 1.00 0.00 C ATOM 1121 CD LYS A 73 66.283 51.906 -19.785 1.00 0.00 C ATOM 1122 CE LYS A 73 65.508 53.077 -20.368 1.00 0.00 C ATOM 1123 NZ LYS A 73 64.778 52.696 -21.609 1.00 0.00 N ATOM 0 H LYS A 73 69.072 51.616 -16.077 1.00 0.00 H new ATOM 0 HA LYS A 73 68.367 50.216 -18.436 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.484 53.024 -17.454 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.599 52.838 -19.192 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.423 51.378 -17.709 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.251 53.098 -18.000 1.00 0.00 H new ATOM 0 HD2 LYS A 73 67.151 51.695 -20.410 1.00 0.00 H new ATOM 0 HD3 LYS A 73 65.658 51.013 -19.796 1.00 0.00 H new ATOM 0 HE2 LYS A 73 64.798 53.447 -19.628 1.00 0.00 H new ATOM 0 HE3 LYS A 73 66.195 53.894 -20.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 64.262 53.521 -21.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 65.457 52.367 -22.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 64.104 51.934 -21.395 1.00 0.00 H new ATOM 1137 N GLU A 74 71.327 51.650 -18.363 1.00 0.00 N ATOM 1138 CA GLU A 74 72.611 51.727 -19.049 1.00 0.00 C ATOM 1139 C GLU A 74 73.208 50.336 -19.244 1.00 0.00 C ATOM 1140 O GLU A 74 73.840 50.056 -20.264 1.00 0.00 O ATOM 1141 CB GLU A 74 73.584 52.605 -18.260 1.00 0.00 C ATOM 1142 CG GLU A 74 73.944 53.902 -18.965 1.00 0.00 C ATOM 1143 CD GLU A 74 74.733 54.848 -18.081 1.00 0.00 C ATOM 1144 OE1 GLU A 74 75.613 54.369 -17.335 1.00 0.00 O ATOM 1145 OE2 GLU A 74 74.470 56.068 -18.135 1.00 0.00 O ATOM 0 H GLU A 74 71.312 52.092 -17.444 1.00 0.00 H new ATOM 0 HA GLU A 74 72.444 52.173 -20.030 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.145 52.839 -17.290 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.496 52.040 -18.069 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.526 53.676 -19.859 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.031 54.397 -19.296 1.00 0.00 H new ATOM 1152 N LEU A 75 73.003 49.468 -18.260 1.00 0.00 N ATOM 1153 CA LEU A 75 73.520 48.105 -18.322 1.00 0.00 C ATOM 1154 C LEU A 75 73.090 47.417 -19.613 1.00 0.00 C ATOM 1155 O LEU A 75 73.785 46.537 -20.121 1.00 0.00 O ATOM 1156 CB LEU A 75 73.036 47.300 -17.115 1.00 0.00 C ATOM 1157 CG LEU A 75 74.083 47.005 -16.040 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.677 48.299 -15.505 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.473 46.189 -14.910 1.00 0.00 C ATOM 0 H LEU A 75 72.483 49.683 -17.410 1.00 0.00 H new ATOM 0 HA LEU A 75 74.609 48.155 -18.305 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.211 47.840 -16.651 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.635 46.352 -17.473 1.00 0.00 H new ATOM 0 HG LEU A 75 74.884 46.420 -16.491 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.420 48.070 -14.741 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.151 48.846 -16.320 1.00 0.00 H new ATOM 0 HD13 LEU A 75 73.886 48.910 -15.070 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.233 45.989 -14.155 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.652 46.747 -14.460 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.096 45.245 -15.305 1.00 0.00 H new ATOM 1171 N CYS A 76 71.941 47.826 -20.140 1.00 0.00 N ATOM 1172 CA CYS A 76 71.418 47.250 -21.374 1.00 0.00 C ATOM 1173 C CYS A 76 72.065 47.897 -22.593 1.00 0.00 C ATOM 1174 O CYS A 76 72.520 47.209 -23.508 1.00 0.00 O ATOM 1175 CB CYS A 76 69.899 47.420 -21.437 1.00 0.00 C ATOM 1176 SG CYS A 76 69.030 46.841 -19.961 1.00 0.00 S ATOM 0 H CYS A 76 71.354 48.554 -19.732 1.00 0.00 H new ATOM 0 HA CYS A 76 71.658 46.187 -21.380 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.668 48.474 -21.591 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.519 46.880 -22.304 1.00 0.00 H new ATOM 0 HG CYS A 76 69.410 47.538 -18.932 1.00 0.00 H new ATOM 1182 N LYS A 77 72.102 49.225 -22.602 1.00 0.00 N ATOM 1183 CA LYS A 77 72.693 49.967 -23.709 1.00 0.00 C ATOM 1184 C LYS A 77 74.148 49.559 -23.923 1.00 0.00 C ATOM 1185 O LYS A 77 74.673 49.657 -25.032 1.00 0.00 O ATOM 1186 CB LYS A 77 72.609 51.472 -23.444 1.00 0.00 C ATOM 1187 CG LYS A 77 71.186 51.990 -23.323 1.00 0.00 C ATOM 1188 CD LYS A 77 71.155 53.430 -22.840 1.00 0.00 C ATOM 1189 CE LYS A 77 69.827 53.768 -22.179 1.00 0.00 C ATOM 1190 NZ LYS A 77 69.944 54.940 -21.269 1.00 0.00 N ATOM 0 H LYS A 77 71.729 49.810 -21.854 1.00 0.00 H new ATOM 0 HA LYS A 77 72.131 49.731 -24.612 1.00 0.00 H new ATOM 0 HB2 LYS A 77 73.150 51.701 -22.526 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.113 52.003 -24.252 1.00 0.00 H new ATOM 0 HG2 LYS A 77 70.689 51.919 -24.290 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.627 51.361 -22.630 1.00 0.00 H new ATOM 0 HD2 LYS A 77 71.967 53.595 -22.132 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.325 54.101 -23.682 1.00 0.00 H new ATOM 0 HE2 LYS A 77 69.082 53.977 -22.947 1.00 0.00 H new ATOM 0 HE3 LYS A 77 69.471 52.905 -21.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 69.019 55.139 -20.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 70.636 54.731 -20.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 70.259 55.770 -21.811 1.00 0.00 H new ATOM 1204 N MET A 78 74.792 49.100 -22.855 1.00 0.00 N ATOM 1205 CA MET A 78 76.185 48.675 -22.928 1.00 0.00 C ATOM 1206 C MET A 78 76.321 47.401 -23.757 1.00 0.00 C ATOM 1207 O MET A 78 75.603 46.427 -23.538 1.00 0.00 O ATOM 1208 CB MET A 78 76.744 48.445 -21.522 1.00 0.00 C ATOM 1209 CG MET A 78 76.718 49.687 -20.647 1.00 0.00 C ATOM 1210 SD MET A 78 78.363 50.369 -20.361 1.00 0.00 S ATOM 1211 CE MET A 78 79.179 48.973 -19.590 1.00 0.00 C ATOM 0 H MET A 78 74.372 49.013 -21.930 1.00 0.00 H new ATOM 0 HA MET A 78 76.756 49.466 -23.413 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.170 47.656 -21.036 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.771 48.088 -21.602 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.091 50.445 -21.117 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.259 49.443 -19.689 1.00 0.00 H new ATOM 0 HE1 MET A 78 79.919 49.333 -18.875 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.441 48.361 -19.071 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.674 48.374 -20.354 1.00 0.00 H new ATOM 1221 N ASN A 79 77.249 47.417 -24.709 1.00 0.00 N ATOM 1222 CA ASN A 79 77.479 46.264 -25.571 1.00 0.00 C ATOM 1223 C ASN A 79 78.825 45.615 -25.265 1.00 0.00 C ATOM 1224 O ASN A 79 79.520 46.012 -24.329 1.00 0.00 O ATOM 1225 CB ASN A 79 77.424 46.682 -27.042 1.00 0.00 C ATOM 1226 CG ASN A 79 76.065 47.224 -27.439 1.00 0.00 C ATOM 1227 OD1 ASN A 79 75.181 46.472 -27.853 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.891 48.534 -27.316 1.00 0.00 N ATOM 0 H ASN A 79 77.853 48.216 -24.902 1.00 0.00 H new ATOM 0 HA ASN A 79 76.692 45.535 -25.378 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.184 47.441 -27.230 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.668 45.825 -27.670 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.997 48.956 -27.569 1.00 0.00 H new ATOM 0 HD22 ASN A 79 76.651 49.119 -26.969 1.00 0.00 H new ATOM 1235 N LYS A 80 79.188 44.615 -26.060 1.00 0.00 N ATOM 1236 CA LYS A 80 80.452 43.911 -25.877 1.00 0.00 C ATOM 1237 C LYS A 80 81.618 44.893 -25.821 1.00 0.00 C ATOM 1238 O LYS A 80 82.624 44.638 -25.160 1.00 0.00 O ATOM 1239 CB LYS A 80 80.670 42.908 -27.012 1.00 0.00 C ATOM 1240 CG LYS A 80 81.754 41.885 -26.720 1.00 0.00 C ATOM 1241 CD LYS A 80 81.162 40.526 -26.385 1.00 0.00 C ATOM 1242 CE LYS A 80 81.362 39.536 -27.523 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.170 39.467 -28.413 1.00 0.00 N ATOM 0 H LYS A 80 78.624 44.273 -26.838 1.00 0.00 H new ATOM 0 HA LYS A 80 80.406 43.374 -24.930 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.734 42.386 -27.209 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.930 43.451 -27.921 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.412 41.793 -27.584 1.00 0.00 H new ATOM 0 HG3 LYS A 80 82.367 42.231 -25.888 1.00 0.00 H new ATOM 0 HD2 LYS A 80 81.627 40.139 -25.478 1.00 0.00 H new ATOM 0 HD3 LYS A 80 80.097 40.633 -26.177 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.235 39.826 -28.107 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.567 38.547 -27.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.345 38.782 -29.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.342 39.166 -27.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 79.989 40.405 -28.825 1.00 0.00 H new ATOM 1257 N GLU A 81 81.475 46.016 -26.518 1.00 0.00 N ATOM 1258 CA GLU A 81 82.517 47.035 -26.546 1.00 0.00 C ATOM 1259 C GLU A 81 82.568 47.797 -25.225 1.00 0.00 C ATOM 1260 O GLU A 81 83.565 47.746 -24.504 1.00 0.00 O ATOM 1261 CB GLU A 81 82.278 48.010 -27.700 1.00 0.00 C ATOM 1262 CG GLU A 81 81.919 47.326 -29.009 1.00 0.00 C ATOM 1263 CD GLU A 81 80.424 47.297 -29.262 1.00 0.00 C ATOM 1264 OE1 GLU A 81 79.859 48.356 -29.606 1.00 0.00 O ATOM 1265 OE2 GLU A 81 79.820 46.214 -29.115 1.00 0.00 O ATOM 0 H GLU A 81 80.648 46.243 -27.070 1.00 0.00 H new ATOM 0 HA GLU A 81 83.474 46.535 -26.695 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.476 48.695 -27.426 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.175 48.612 -27.848 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.413 47.843 -29.832 1.00 0.00 H new ATOM 0 HG3 GLU A 81 82.302 46.305 -28.998 1.00 0.00 H new ATOM 1272 N ASP A 82 81.487 48.504 -24.914 1.00 0.00 N ATOM 1273 CA ASP A 82 81.407 49.277 -23.680 1.00 0.00 C ATOM 1274 C ASP A 82 81.755 48.411 -22.473 1.00 0.00 C ATOM 1275 O ASP A 82 82.291 48.901 -21.479 1.00 0.00 O ATOM 1276 CB ASP A 82 80.006 49.867 -23.513 1.00 0.00 C ATOM 1277 CG ASP A 82 79.518 50.566 -24.767 1.00 0.00 C ATOM 1278 OD1 ASP A 82 79.986 51.691 -25.039 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.669 49.987 -25.477 1.00 0.00 O ATOM 0 H ASP A 82 80.654 48.558 -25.500 1.00 0.00 H new ATOM 0 HA ASP A 82 82.130 50.090 -23.742 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.309 49.071 -23.250 1.00 0.00 H new ATOM 0 HB3 ASP A 82 80.010 50.575 -22.684 1.00 0.00 H new ATOM 1284 N PHE A 83 81.445 47.122 -22.567 1.00 0.00 N ATOM 1285 CA PHE A 83 81.723 46.188 -21.482 1.00 0.00 C ATOM 1286 C PHE A 83 83.190 45.768 -21.489 1.00 0.00 C ATOM 1287 O PHE A 83 83.780 45.515 -20.438 1.00 0.00 O ATOM 1288 CB PHE A 83 80.827 44.954 -21.601 1.00 0.00 C ATOM 1289 CG PHE A 83 79.564 45.051 -20.792 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.617 45.231 -19.419 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.325 44.960 -21.405 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.458 45.320 -18.672 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.162 45.049 -20.663 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.229 45.228 -19.295 1.00 0.00 C ATOM 0 H PHE A 83 81.001 46.701 -23.383 1.00 0.00 H new ATOM 0 HA PHE A 83 81.512 46.692 -20.539 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.567 44.803 -22.649 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.387 44.075 -21.281 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.576 45.303 -18.927 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.267 44.818 -22.474 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.513 45.461 -17.603 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.202 44.979 -21.152 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.321 45.296 -18.713 1.00 0.00 H new ATOM 1304 N LEU A 84 83.772 45.695 -22.681 1.00 0.00 N ATOM 1305 CA LEU A 84 85.170 45.304 -22.827 1.00 0.00 C ATOM 1306 C LEU A 84 86.088 46.287 -22.106 1.00 0.00 C ATOM 1307 O LEU A 84 87.174 45.921 -21.655 1.00 0.00 O ATOM 1308 CB LEU A 84 85.548 45.228 -24.307 1.00 0.00 C ATOM 1309 CG LEU A 84 85.483 43.840 -24.946 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.448 43.951 -26.462 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.665 42.992 -24.499 1.00 0.00 C ATOM 0 H LEU A 84 83.298 45.901 -23.560 1.00 0.00 H new ATOM 0 HA LEU A 84 85.295 44.320 -22.376 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.889 45.894 -24.864 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.561 45.612 -24.423 1.00 0.00 H new ATOM 0 HG LEU A 84 84.565 43.352 -24.617 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.402 42.953 -26.899 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.570 44.521 -26.765 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.347 44.458 -26.811 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.603 42.008 -24.963 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.594 43.476 -24.799 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.646 42.884 -23.415 1.00 0.00 H new ATOM 1323 N ARG A 85 85.644 47.535 -22.001 1.00 0.00 N ATOM 1324 CA ARG A 85 86.425 48.570 -21.334 1.00 0.00 C ATOM 1325 C ARG A 85 86.374 48.398 -19.819 1.00 0.00 C ATOM 1326 O ARG A 85 87.287 48.816 -19.106 1.00 0.00 O ATOM 1327 CB ARG A 85 85.906 49.957 -21.719 1.00 0.00 C ATOM 1328 CG ARG A 85 86.086 50.288 -23.191 1.00 0.00 C ATOM 1329 CD ARG A 85 85.213 51.461 -23.609 1.00 0.00 C ATOM 1330 NE ARG A 85 84.930 51.449 -25.042 1.00 0.00 N ATOM 1331 CZ ARG A 85 84.229 52.393 -25.660 1.00 0.00 C ATOM 1332 NH1 ARG A 85 83.744 53.420 -24.975 1.00 0.00 N ATOM 1333 NH2 ARG A 85 84.014 52.313 -26.967 1.00 0.00 N ATOM 0 H ARG A 85 84.748 47.854 -22.369 1.00 0.00 H new ATOM 0 HA ARG A 85 87.461 48.474 -21.658 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.847 50.022 -21.468 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.422 50.708 -21.121 1.00 0.00 H new ATOM 0 HG2 ARG A 85 87.132 50.524 -23.387 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.838 49.415 -23.794 1.00 0.00 H new ATOM 0 HD2 ARG A 85 84.275 51.431 -23.054 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.710 52.395 -23.345 1.00 0.00 H new ATOM 0 HE ARG A 85 85.290 50.674 -25.598 1.00 0.00 H new ATOM 0 HH11 ARG A 85 83.909 53.487 -23.971 1.00 0.00 H new ATOM 0 HH12 ARG A 85 83.206 54.143 -25.453 1.00 0.00 H new ATOM 0 HH21 ARG A 85 84.387 51.526 -27.498 1.00 0.00 H new ATOM 0 HH22 ARG A 85 83.476 53.038 -27.441 1.00 0.00 H new ATOM 1347 N ALA A 86 85.301 47.782 -19.334 1.00 0.00 N ATOM 1348 CA ALA A 86 85.132 47.554 -17.904 1.00 0.00 C ATOM 1349 C ALA A 86 85.753 46.226 -17.483 1.00 0.00 C ATOM 1350 O ALA A 86 86.323 46.111 -16.397 1.00 0.00 O ATOM 1351 CB ALA A 86 83.657 47.590 -17.535 1.00 0.00 C ATOM 0 H ALA A 86 84.536 47.432 -19.910 1.00 0.00 H new ATOM 0 HA ALA A 86 85.648 48.352 -17.370 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.545 47.418 -16.464 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.241 48.565 -17.791 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.125 46.813 -18.084 1.00 0.00 H new ATOM 1357 N THR A 87 85.638 45.223 -18.349 1.00 0.00 N ATOM 1358 CA THR A 87 86.186 43.903 -18.065 1.00 0.00 C ATOM 1359 C THR A 87 86.665 43.221 -19.342 1.00 0.00 C ATOM 1360 O THR A 87 86.460 43.729 -20.445 1.00 0.00 O ATOM 1361 CB THR A 87 85.148 43.000 -17.373 1.00 0.00 C ATOM 1362 OG1 THR A 87 85.772 41.795 -16.918 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.009 42.660 -18.323 1.00 0.00 C ATOM 0 H THR A 87 85.170 45.300 -19.252 1.00 0.00 H new ATOM 0 HA THR A 87 87.033 44.050 -17.394 1.00 0.00 H new ATOM 0 HB THR A 87 84.740 43.541 -16.519 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.484 42.015 -16.282 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.288 42.021 -17.813 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.517 43.578 -18.645 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.405 42.137 -19.193 1.00 0.00 H new ATOM 1371 N THR A 88 87.306 42.067 -19.186 1.00 0.00 N ATOM 1372 CA THR A 88 87.815 41.315 -20.326 1.00 0.00 C ATOM 1373 C THR A 88 86.674 40.748 -21.164 1.00 0.00 C ATOM 1374 O THR A 88 85.502 40.901 -20.820 1.00 0.00 O ATOM 1375 CB THR A 88 88.729 40.160 -19.875 1.00 0.00 C ATOM 1376 OG1 THR A 88 87.948 39.126 -19.267 1.00 0.00 O ATOM 1377 CG2 THR A 88 89.779 40.654 -18.892 1.00 0.00 C ATOM 0 H THR A 88 87.485 41.633 -18.281 1.00 0.00 H new ATOM 0 HA THR A 88 88.395 42.012 -20.931 1.00 0.00 H new ATOM 0 HB THR A 88 89.236 39.762 -20.754 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.536 38.395 -18.985 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.413 39.821 -18.587 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.391 41.420 -19.368 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.287 41.075 -18.015 1.00 0.00 H new ATOM 1385 N LEU A 89 87.025 40.091 -22.265 1.00 0.00 N ATOM 1386 CA LEU A 89 86.030 39.500 -23.152 1.00 0.00 C ATOM 1387 C LEU A 89 85.314 38.338 -22.470 1.00 0.00 C ATOM 1388 O LEU A 89 84.092 38.214 -22.554 1.00 0.00 O ATOM 1389 CB LEU A 89 86.692 39.017 -24.444 1.00 0.00 C ATOM 1390 CG LEU A 89 85.804 39.002 -25.688 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.607 38.087 -25.478 1.00 0.00 C ATOM 1392 CD2 LEU A 89 85.347 40.411 -26.035 1.00 0.00 C ATOM 0 H LEU A 89 87.991 39.955 -22.564 1.00 0.00 H new ATOM 0 HA LEU A 89 85.293 40.267 -23.393 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.555 39.652 -24.646 1.00 0.00 H new ATOM 0 HB3 LEU A 89 87.070 38.008 -24.280 1.00 0.00 H new ATOM 0 HG LEU A 89 86.388 38.616 -26.523 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.986 38.089 -26.374 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.954 37.073 -25.279 1.00 0.00 H new ATOM 0 HD13 LEU A 89 84.022 38.443 -24.630 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.716 40.380 -26.923 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.780 40.825 -25.201 1.00 0.00 H new ATOM 0 HD23 LEU A 89 86.217 41.038 -26.230 1.00 0.00 H new ATOM 1404 N TYR A 90 86.082 37.492 -21.794 1.00 0.00 N ATOM 1405 CA TYR A 90 85.521 36.340 -21.097 1.00 0.00 C ATOM 1406 C TYR A 90 84.383 36.764 -20.173 1.00 0.00 C ATOM 1407 O TYR A 90 83.306 36.171 -20.185 1.00 0.00 O ATOM 1408 CB TYR A 90 86.608 35.626 -20.292 1.00 0.00 C ATOM 1409 CG TYR A 90 86.078 34.519 -19.408 1.00 0.00 C ATOM 1410 CD1 TYR A 90 85.913 33.230 -19.899 1.00 0.00 C ATOM 1411 CD2 TYR A 90 85.743 34.763 -18.082 1.00 0.00 C ATOM 1412 CE1 TYR A 90 85.429 32.216 -19.096 1.00 0.00 C ATOM 1413 CE2 TYR A 90 85.259 33.755 -17.271 1.00 0.00 C ATOM 1414 CZ TYR A 90 85.104 32.483 -17.782 1.00 0.00 C ATOM 1415 OH TYR A 90 84.622 31.476 -16.978 1.00 0.00 O ATOM 0 H TYR A 90 87.095 37.582 -21.713 1.00 0.00 H new ATOM 0 HA TYR A 90 85.122 35.654 -21.844 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.344 35.209 -20.980 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.129 36.356 -19.673 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.168 33.017 -20.927 1.00 0.00 H new ATOM 0 HD2 TYR A 90 85.863 35.758 -17.678 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.306 31.220 -19.494 1.00 0.00 H new ATOM 0 HE2 TYR A 90 85.003 33.962 -16.242 1.00 0.00 H new ATOM 0 HH TYR A 90 84.443 31.830 -16.082 1.00 0.00 H new ATOM 1425 N ASN A 91 84.633 37.795 -19.373 1.00 0.00 N ATOM 1426 CA ASN A 91 83.630 38.300 -18.441 1.00 0.00 C ATOM 1427 C ASN A 91 82.487 38.980 -19.188 1.00 0.00 C ATOM 1428 O ASN A 91 81.314 38.775 -18.874 1.00 0.00 O ATOM 1429 CB ASN A 91 84.267 39.282 -17.456 1.00 0.00 C ATOM 1430 CG ASN A 91 85.041 38.579 -16.358 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.012 37.353 -16.250 1.00 0.00 O ATOM 1432 ND2 ASN A 91 85.739 39.355 -15.537 1.00 0.00 N ATOM 0 H ASN A 91 85.521 38.297 -19.351 1.00 0.00 H new ATOM 0 HA ASN A 91 83.225 37.453 -17.888 1.00 0.00 H new ATOM 0 HB2 ASN A 91 84.936 39.952 -17.996 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.489 39.901 -17.009 1.00 0.00 H new ATOM 0 HD21 ASN A 91 86.280 38.939 -14.779 1.00 0.00 H new ATOM 0 HD22 ASN A 91 85.734 40.367 -15.664 1.00 0.00 H new ATOM 1439 N THR A 92 82.837 39.793 -20.181 1.00 0.00 N ATOM 1440 CA THR A 92 81.842 40.505 -20.973 1.00 0.00 C ATOM 1441 C THR A 92 80.817 39.543 -21.562 1.00 0.00 C ATOM 1442 O THR A 92 79.645 39.885 -21.709 1.00 0.00 O ATOM 1443 CB THR A 92 82.499 41.301 -22.116 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.418 42.259 -21.581 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.447 42.012 -22.954 1.00 0.00 C ATOM 0 H THR A 92 83.803 39.974 -20.455 1.00 0.00 H new ATOM 0 HA THR A 92 81.339 41.199 -20.299 1.00 0.00 H new ATOM 0 HB THR A 92 83.037 40.601 -22.755 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.284 41.829 -21.423 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.934 42.568 -23.755 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.767 41.277 -23.384 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.885 42.702 -22.324 1.00 0.00 H new ATOM 1453 N GLU A 93 81.268 38.338 -21.897 1.00 0.00 N ATOM 1454 CA GLU A 93 80.388 37.326 -22.471 1.00 0.00 C ATOM 1455 C GLU A 93 79.391 36.821 -21.433 1.00 0.00 C ATOM 1456 O GLU A 93 78.283 36.404 -21.771 1.00 0.00 O ATOM 1457 CB GLU A 93 81.208 36.156 -23.018 1.00 0.00 C ATOM 1458 CG GLU A 93 81.804 36.420 -24.391 1.00 0.00 C ATOM 1459 CD GLU A 93 81.529 35.296 -25.372 1.00 0.00 C ATOM 1460 OE1 GLU A 93 81.532 34.123 -24.945 1.00 0.00 O ATOM 1461 OE2 GLU A 93 81.311 35.590 -26.565 1.00 0.00 O ATOM 0 H GLU A 93 82.236 38.039 -21.781 1.00 0.00 H new ATOM 0 HA GLU A 93 79.833 37.785 -23.289 1.00 0.00 H new ATOM 0 HB2 GLU A 93 82.013 35.929 -22.319 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.573 35.271 -23.071 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.397 37.351 -24.787 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.881 36.558 -24.295 1.00 0.00 H new ATOM 1468 N VAL A 94 79.793 36.860 -20.166 1.00 0.00 N ATOM 1469 CA VAL A 94 78.935 36.406 -19.077 1.00 0.00 C ATOM 1470 C VAL A 94 77.954 37.496 -18.660 1.00 0.00 C ATOM 1471 O VAL A 94 76.774 37.230 -18.431 1.00 0.00 O ATOM 1472 CB VAL A 94 79.763 35.980 -17.851 1.00 0.00 C ATOM 1473 CG1 VAL A 94 78.850 35.539 -16.717 1.00 0.00 C ATOM 1474 CG2 VAL A 94 80.736 34.871 -18.225 1.00 0.00 C ATOM 0 H VAL A 94 80.707 37.201 -19.868 1.00 0.00 H new ATOM 0 HA VAL A 94 78.380 35.544 -19.449 1.00 0.00 H new ATOM 0 HB VAL A 94 80.340 36.839 -17.508 1.00 0.00 H new ATOM 0 HG11 VAL A 94 79.453 35.242 -15.859 1.00 0.00 H new ATOM 0 HG12 VAL A 94 78.198 36.365 -16.433 1.00 0.00 H new ATOM 0 HG13 VAL A 94 78.244 34.694 -17.045 1.00 0.00 H new ATOM 0 HG21 VAL A 94 81.313 34.582 -17.347 1.00 0.00 H new ATOM 0 HG22 VAL A 94 80.181 34.009 -18.594 1.00 0.00 H new ATOM 0 HG23 VAL A 94 81.412 35.227 -19.002 1.00 0.00 H new ATOM 1484 N LEU A 95 78.450 38.725 -18.564 1.00 0.00 N ATOM 1485 CA LEU A 95 77.617 39.858 -18.175 1.00 0.00 C ATOM 1486 C LEU A 95 76.477 40.062 -19.167 1.00 0.00 C ATOM 1487 O LEU A 95 75.303 40.034 -18.795 1.00 0.00 O ATOM 1488 CB LEU A 95 78.462 41.130 -18.083 1.00 0.00 C ATOM 1489 CG LEU A 95 79.610 41.101 -17.072 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.488 42.334 -17.227 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.069 41.005 -15.653 1.00 0.00 C ATOM 0 H LEU A 95 79.424 38.962 -18.750 1.00 0.00 H new ATOM 0 HA LEU A 95 77.188 39.643 -17.196 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.878 41.338 -19.069 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.804 41.962 -17.832 1.00 0.00 H new ATOM 0 HG LEU A 95 80.219 40.218 -17.268 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.299 42.297 -16.500 1.00 0.00 H new ATOM 0 HD12 LEU A 95 80.904 42.360 -18.234 1.00 0.00 H new ATOM 0 HD13 LEU A 95 79.890 43.230 -17.058 1.00 0.00 H new ATOM 0 HD21 LEU A 95 79.900 40.985 -14.947 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.437 41.868 -15.445 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.482 40.092 -15.548 1.00 0.00 H new ATOM 1503 N LEU A 96 76.830 40.264 -20.432 1.00 0.00 N ATOM 1504 CA LEU A 96 75.836 40.471 -21.479 1.00 0.00 C ATOM 1505 C LEU A 96 74.866 39.296 -21.549 1.00 0.00 C ATOM 1506 O LEU A 96 73.649 39.479 -21.510 1.00 0.00 O ATOM 1507 CB LEU A 96 76.524 40.659 -22.833 1.00 0.00 C ATOM 1508 CG LEU A 96 76.338 42.025 -23.496 1.00 0.00 C ATOM 1509 CD1 LEU A 96 77.511 42.337 -24.412 1.00 0.00 C ATOM 1510 CD2 LEU A 96 75.029 42.068 -24.269 1.00 0.00 C ATOM 0 H LEU A 96 77.797 40.289 -20.757 1.00 0.00 H new ATOM 0 HA LEU A 96 75.271 41.371 -21.236 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.592 40.483 -22.703 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.155 39.893 -23.515 1.00 0.00 H new ATOM 0 HG LEU A 96 76.301 42.785 -22.716 1.00 0.00 H new ATOM 0 HD11 LEU A 96 77.362 43.312 -24.875 1.00 0.00 H new ATOM 0 HD12 LEU A 96 78.433 42.348 -23.831 1.00 0.00 H new ATOM 0 HD13 LEU A 96 77.580 41.574 -25.187 1.00 0.00 H new ATOM 0 HD21 LEU A 96 74.913 43.047 -24.734 1.00 0.00 H new ATOM 0 HD22 LEU A 96 75.037 41.298 -25.041 1.00 0.00 H new ATOM 0 HD23 LEU A 96 74.198 41.890 -23.587 1.00 0.00 H new ATOM 1522 N SER A 97 75.413 38.089 -21.650 1.00 0.00 N ATOM 1523 CA SER A 97 74.596 36.883 -21.726 1.00 0.00 C ATOM 1524 C SER A 97 73.588 36.836 -20.582 1.00 0.00 C ATOM 1525 O SER A 97 72.383 36.715 -20.804 1.00 0.00 O ATOM 1526 CB SER A 97 75.483 35.637 -21.691 1.00 0.00 C ATOM 1527 OG SER A 97 74.709 34.456 -21.816 1.00 0.00 O ATOM 0 H SER A 97 76.418 37.920 -21.681 1.00 0.00 H new ATOM 0 HA SER A 97 74.049 36.904 -22.668 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.213 35.684 -22.499 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.043 35.611 -20.756 1.00 0.00 H new ATOM 0 HG SER A 97 75.299 33.674 -21.792 1.00 0.00 H new ATOM 1533 N HIS A 98 74.091 36.934 -19.355 1.00 0.00 N ATOM 1534 CA HIS A 98 73.236 36.904 -18.174 1.00 0.00 C ATOM 1535 C HIS A 98 72.112 37.929 -18.290 1.00 0.00 C ATOM 1536 O HIS A 98 70.939 37.604 -18.100 1.00 0.00 O ATOM 1537 CB HIS A 98 74.060 37.174 -16.915 1.00 0.00 C ATOM 1538 CG HIS A 98 73.423 36.661 -15.660 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.069 36.748 -15.414 1.00 0.00 N ATOM 1540 CD2 HIS A 98 73.962 36.050 -14.579 1.00 0.00 C ATOM 1541 CE1 HIS A 98 71.803 36.215 -14.235 1.00 0.00 C ATOM 1542 NE2 HIS A 98 72.935 35.783 -13.708 1.00 0.00 N ATOM 0 H HIS A 98 75.086 37.035 -19.153 1.00 0.00 H new ATOM 0 HA HIS A 98 72.792 35.911 -18.103 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.042 36.715 -17.028 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.220 38.248 -16.819 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.006 35.816 -14.430 1.00 0.00 H new ATOM 0 HE1 HIS A 98 70.826 36.144 -13.779 1.00 0.00 H new ATOM 0 HE2 HIS A 98 73.030 35.325 -12.801 1.00 0.00 H new ATOM 1550 N LEU A 99 72.477 39.167 -18.603 1.00 0.00 N ATOM 1551 CA LEU A 99 71.499 40.241 -18.745 1.00 0.00 C ATOM 1552 C LEU A 99 70.467 39.899 -19.814 1.00 0.00 C ATOM 1553 O LEU A 99 69.336 40.385 -19.777 1.00 0.00 O ATOM 1554 CB LEU A 99 72.201 41.553 -19.098 1.00 0.00 C ATOM 1555 CG LEU A 99 72.228 42.616 -17.999 1.00 0.00 C ATOM 1556 CD1 LEU A 99 72.813 42.045 -16.717 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.021 43.833 -18.454 1.00 0.00 C ATOM 0 H LEU A 99 73.443 39.453 -18.763 1.00 0.00 H new ATOM 0 HA LEU A 99 70.983 40.358 -17.792 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.229 41.327 -19.383 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.713 41.978 -19.975 1.00 0.00 H new ATOM 0 HG LEU A 99 71.203 42.929 -17.798 1.00 0.00 H new ATOM 0 HD11 LEU A 99 72.824 42.816 -15.947 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.204 41.206 -16.381 1.00 0.00 H new ATOM 0 HD13 LEU A 99 73.831 41.703 -16.902 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.030 44.579 -17.660 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.044 43.535 -18.684 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.558 44.257 -19.345 1.00 0.00 H new ATOM 1569 N SER A 100 70.862 39.059 -20.765 1.00 0.00 N ATOM 1570 CA SER A 100 69.972 38.653 -21.846 1.00 0.00 C ATOM 1571 C SER A 100 69.126 37.453 -21.432 1.00 0.00 C ATOM 1572 O SER A 100 68.024 37.250 -21.943 1.00 0.00 O ATOM 1573 CB SER A 100 70.779 38.314 -23.100 1.00 0.00 C ATOM 1574 OG SER A 100 71.716 39.335 -23.396 1.00 0.00 O ATOM 0 H SER A 100 71.794 38.646 -20.809 1.00 0.00 H new ATOM 0 HA SER A 100 69.305 39.487 -22.066 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.301 37.368 -22.955 1.00 0.00 H new ATOM 0 HB3 SER A 100 70.104 38.180 -23.945 1.00 0.00 H new ATOM 0 HG SER A 100 72.427 39.332 -22.722 1.00 0.00 H new ATOM 1580 N TYR A 101 69.649 36.661 -20.502 1.00 0.00 N ATOM 1581 CA TYR A 101 68.944 35.480 -20.020 1.00 0.00 C ATOM 1582 C TYR A 101 67.648 35.868 -19.314 1.00 0.00 C ATOM 1583 O TYR A 101 66.634 35.179 -19.430 1.00 0.00 O ATOM 1584 CB TYR A 101 69.836 34.681 -19.068 1.00 0.00 C ATOM 1585 CG TYR A 101 69.156 33.467 -18.476 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.199 32.238 -19.121 1.00 0.00 C ATOM 1587 CD2 TYR A 101 68.471 33.551 -17.270 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.579 31.127 -18.583 1.00 0.00 C ATOM 1589 CE2 TYR A 101 67.848 32.445 -16.724 1.00 0.00 C ATOM 1590 CZ TYR A 101 67.904 31.235 -17.385 1.00 0.00 C ATOM 1591 OH TYR A 101 67.286 30.131 -16.845 1.00 0.00 O ATOM 0 H TYR A 101 70.559 36.816 -20.067 1.00 0.00 H new ATOM 0 HA TYR A 101 68.696 34.860 -20.882 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.730 34.361 -19.604 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.165 35.333 -18.259 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.726 32.149 -20.059 1.00 0.00 H new ATOM 0 HD2 TYR A 101 68.425 34.497 -16.751 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.623 30.179 -19.098 1.00 0.00 H new ATOM 0 HE2 TYR A 101 67.320 32.527 -15.785 1.00 0.00 H new ATOM 0 HH TYR A 101 66.857 30.377 -15.999 1.00 0.00 H new ATOM 1601 N LEU A 102 67.690 36.977 -18.584 1.00 0.00 N ATOM 1602 CA LEU A 102 66.520 37.460 -17.859 1.00 0.00 C ATOM 1603 C LEU A 102 65.375 37.771 -18.818 1.00 0.00 C ATOM 1604 O LEU A 102 64.224 37.419 -18.561 1.00 0.00 O ATOM 1605 CB LEU A 102 66.876 38.708 -17.050 1.00 0.00 C ATOM 1606 CG LEU A 102 68.063 38.573 -16.095 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.362 39.904 -15.424 1.00 0.00 C ATOM 1608 CD2 LEU A 102 67.788 37.498 -15.053 1.00 0.00 C ATOM 0 H LEU A 102 68.521 37.559 -18.478 1.00 0.00 H new ATOM 0 HA LEU A 102 66.195 36.673 -17.178 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.086 39.520 -17.746 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.001 39.003 -16.471 1.00 0.00 H new ATOM 0 HG LEU A 102 68.938 38.276 -16.673 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.209 39.789 -14.748 1.00 0.00 H new ATOM 0 HD12 LEU A 102 68.602 40.648 -16.183 1.00 0.00 H new ATOM 0 HD13 LEU A 102 67.489 40.231 -14.859 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.643 37.415 -14.382 1.00 0.00 H new ATOM 0 HD22 LEU A 102 66.901 37.766 -14.479 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.624 36.542 -15.551 1.00 0.00 H new