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 57 TYR OH : rot 180:sc= -0.131 USER MOD Set 1.2: A 98 HIS : no HE2:sc= -0.0802 K(o=-0.21,f=-0.86!) USER MOD Set 2.1: A 87 THR OG1 : rot 100:sc= -1.02 USER MOD Set 2.2: A 91 ASN : amide:sc= -3.7! C(o=-4.7!,f=-10!) USER MOD Set 3.1: A 68 GLN : amide:sc= -2.24 K(o=-3.3,f=-8.3!) USER MOD Set 3.2: A 69 ASN : amide:sc= -1.07 K(o=-3.3,f=-5.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 43 GLN : amide:sc= -0.0336 K(o=-0.034,f=-1.4) USER MOD Single : A 45 HIS : no HD1:sc= -3.98! C(o=-4!,f=-6.7!) 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 -40:sc= 0.165 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 163:sc= -0.692 (180deg=-1.31) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -170:sc= -0.37 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 172:sc= -1.15 (180deg=-1.35) USER MOD Single : A 79 ASN : amide:sc= -0.0802 X(o=-0.08,f=-0.08) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= -0.0402 (180deg=-0.241) 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 64:sc= 1.17 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 66.673 38.179 -5.504 1.00 0.00 N ATOM 460 CA ILE A 33 67.805 38.168 -6.422 1.00 0.00 C ATOM 461 C ILE A 33 67.559 39.093 -7.609 1.00 0.00 C ATOM 462 O ILE A 33 68.488 39.709 -8.132 1.00 0.00 O ATOM 463 CB ILE A 33 68.093 36.747 -6.943 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.340 36.749 -7.830 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.893 36.211 -7.709 1.00 0.00 C ATOM 466 CD1 ILE A 33 69.893 35.367 -8.097 1.00 0.00 C ATOM 0 HA ILE A 33 68.670 38.523 -5.861 1.00 0.00 H new ATOM 0 HB ILE A 33 68.277 36.093 -6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.099 37.225 -8.780 1.00 0.00 H new ATOM 0 HG13 ILE A 33 70.112 37.355 -7.356 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.112 35.206 -8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 33 66.025 36.179 -7.050 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.681 36.864 -8.556 1.00 0.00 H new ATOM 0 HD11 ILE A 33 70.776 35.445 -8.732 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.165 34.895 -7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.137 34.763 -8.599 1.00 0.00 H new ATOM 478 N VAL A 34 66.302 39.186 -8.029 1.00 0.00 N ATOM 479 CA VAL A 34 65.933 40.039 -9.153 1.00 0.00 C ATOM 480 C VAL A 34 64.478 40.484 -9.051 1.00 0.00 C ATOM 481 O VAL A 34 63.587 39.704 -8.713 1.00 0.00 O ATOM 482 CB VAL A 34 66.144 39.318 -10.498 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.113 39.776 -11.517 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.556 39.554 -11.012 1.00 0.00 C ATOM 0 H VAL A 34 65.522 38.681 -7.608 1.00 0.00 H new ATOM 0 HA VAL A 34 66.582 40.914 -9.112 1.00 0.00 H new ATOM 0 HB VAL A 34 66.013 38.247 -10.341 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.278 39.256 -12.461 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.112 39.551 -11.149 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.208 40.850 -11.673 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.688 39.038 -11.963 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.718 40.623 -11.154 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.275 39.171 -10.288 1.00 0.00 H new ATOM 494 N PRO A 35 64.230 41.768 -9.350 1.00 0.00 N ATOM 495 CA PRO A 35 62.883 42.346 -9.300 1.00 0.00 C ATOM 496 C PRO A 35 61.982 41.812 -10.407 1.00 0.00 C ATOM 497 O PRO A 35 60.848 41.404 -10.155 1.00 0.00 O ATOM 498 CB PRO A 35 63.134 43.844 -9.490 1.00 0.00 C ATOM 499 CG PRO A 35 64.423 43.921 -10.232 1.00 0.00 C ATOM 500 CD PRO A 35 65.244 42.753 -9.760 1.00 0.00 C ATOM 0 HA PRO A 35 62.367 42.100 -8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.326 44.313 -10.051 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.197 44.359 -8.532 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.257 43.872 -11.308 1.00 0.00 H new ATOM 0 HG3 PRO A 35 64.933 44.863 -10.031 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.884 42.365 -10.553 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.895 43.028 -8.931 1.00 0.00 H new ATOM 508 N ALA A 36 62.493 41.816 -11.634 1.00 0.00 N ATOM 509 CA ALA A 36 61.734 41.330 -12.780 1.00 0.00 C ATOM 510 C ALA A 36 62.561 41.406 -14.058 1.00 0.00 C ATOM 511 O ALA A 36 63.008 40.386 -14.582 1.00 0.00 O ATOM 512 CB ALA A 36 60.445 42.123 -12.934 1.00 0.00 C ATOM 0 H ALA A 36 63.430 42.151 -11.860 1.00 0.00 H new ATOM 0 HA ALA A 36 61.484 40.284 -12.602 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.888 41.749 -13.793 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.840 42.012 -12.034 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.682 43.176 -13.085 1.00 0.00 H new ATOM 518 N ASP A 37 62.761 42.622 -14.557 1.00 0.00 N ATOM 519 CA ASP A 37 63.535 42.831 -15.775 1.00 0.00 C ATOM 520 C ASP A 37 64.776 43.671 -15.492 1.00 0.00 C ATOM 521 O ASP A 37 64.865 44.372 -14.483 1.00 0.00 O ATOM 522 CB ASP A 37 62.674 43.512 -16.840 1.00 0.00 C ATOM 523 CG ASP A 37 62.002 42.517 -17.765 1.00 0.00 C ATOM 524 OD1 ASP A 37 62.610 41.462 -18.045 1.00 0.00 O ATOM 525 OD2 ASP A 37 60.867 42.792 -18.207 1.00 0.00 O ATOM 0 H ASP A 37 62.398 43.477 -14.136 1.00 0.00 H new ATOM 0 HA ASP A 37 63.855 41.857 -16.146 1.00 0.00 H new ATOM 0 HB2 ASP A 37 61.913 44.122 -16.353 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.295 44.188 -17.428 1.00 0.00 H new ATOM 530 N PRO A 38 65.759 43.600 -16.402 1.00 0.00 N ATOM 531 CA PRO A 38 67.014 44.347 -16.272 1.00 0.00 C ATOM 532 C PRO A 38 66.817 45.848 -16.458 1.00 0.00 C ATOM 533 O PRO A 38 67.681 46.648 -16.098 1.00 0.00 O ATOM 534 CB PRO A 38 67.883 43.779 -17.396 1.00 0.00 C ATOM 535 CG PRO A 38 66.912 43.272 -18.406 1.00 0.00 C ATOM 536 CD PRO A 38 65.721 42.786 -17.628 1.00 0.00 C ATOM 0 HA PRO A 38 67.452 44.238 -15.280 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.532 44.545 -17.820 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.529 42.980 -17.032 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.627 44.060 -19.103 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.348 42.466 -18.996 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.793 42.934 -18.180 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.793 41.721 -17.406 1.00 0.00 H new ATOM 544 N THR A 39 65.673 46.225 -17.022 1.00 0.00 N ATOM 545 CA THR A 39 65.363 47.630 -17.256 1.00 0.00 C ATOM 546 C THR A 39 64.895 48.310 -15.974 1.00 0.00 C ATOM 547 O THR A 39 65.146 49.497 -15.762 1.00 0.00 O ATOM 548 CB THR A 39 64.277 47.793 -18.336 1.00 0.00 C ATOM 549 OG1 THR A 39 63.261 46.799 -18.163 1.00 0.00 O ATOM 550 CG2 THR A 39 64.878 47.674 -19.729 1.00 0.00 C ATOM 0 H THR A 39 64.946 45.577 -17.325 1.00 0.00 H new ATOM 0 HA THR A 39 66.282 48.104 -17.601 1.00 0.00 H new ATOM 0 HB THR A 39 63.836 48.784 -18.231 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.573 46.911 -18.852 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.093 47.792 -20.475 1.00 0.00 H new ATOM 0 HG22 THR A 39 65.631 48.450 -19.868 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.342 46.694 -19.843 1.00 0.00 H new ATOM 558 N LEU A 40 64.215 47.552 -15.122 1.00 0.00 N ATOM 559 CA LEU A 40 63.712 48.082 -13.859 1.00 0.00 C ATOM 560 C LEU A 40 64.611 47.671 -12.699 1.00 0.00 C ATOM 561 O LEU A 40 64.138 47.153 -11.687 1.00 0.00 O ATOM 562 CB LEU A 40 62.284 47.594 -13.611 1.00 0.00 C ATOM 563 CG LEU A 40 61.317 47.717 -14.790 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.047 46.925 -14.523 1.00 0.00 C ATOM 565 CD2 LEU A 40 60.991 49.178 -15.061 1.00 0.00 C ATOM 0 H LEU A 40 63.999 46.568 -15.282 1.00 0.00 H new ATOM 0 HA LEU A 40 63.711 49.170 -13.925 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.326 46.547 -13.310 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.872 48.151 -12.770 1.00 0.00 H new ATOM 0 HG LEU A 40 61.799 47.303 -15.676 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.371 47.024 -15.372 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.297 45.874 -14.379 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.561 47.308 -13.626 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.302 49.247 -15.903 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.529 49.618 -14.177 1.00 0.00 H new ATOM 0 HD23 LEU A 40 61.908 49.718 -15.298 1.00 0.00 H new ATOM 577 N TRP A 41 65.910 47.905 -12.852 1.00 0.00 N ATOM 578 CA TRP A 41 66.876 47.561 -11.815 1.00 0.00 C ATOM 579 C TRP A 41 67.266 48.791 -11.004 1.00 0.00 C ATOM 580 O TRP A 41 67.077 49.925 -11.446 1.00 0.00 O ATOM 581 CB TRP A 41 68.121 46.929 -12.439 1.00 0.00 C ATOM 582 CG TRP A 41 68.118 45.431 -12.385 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.024 44.615 -12.347 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.264 44.573 -12.362 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.421 43.300 -12.301 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.789 43.247 -12.310 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.643 44.794 -12.381 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.647 42.151 -12.277 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.493 43.705 -12.348 1.00 0.00 C ATOM 590 CH2 TRP A 41 70.993 42.397 -12.297 1.00 0.00 C ATOM 0 H TRP A 41 66.318 48.331 -13.684 1.00 0.00 H new ATOM 0 HA TRP A 41 66.410 46.840 -11.143 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.199 47.248 -13.478 1.00 0.00 H new ATOM 0 HB3 TRP A 41 69.006 47.302 -11.924 1.00 0.00 H new ATOM 0 HD1 TRP A 41 65.998 44.953 -12.352 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.797 42.494 -12.266 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.038 45.798 -12.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.264 41.142 -12.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.561 43.865 -12.362 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.683 41.567 -12.273 1.00 0.00 H new ATOM 601 N THR A 42 67.814 48.562 -9.814 1.00 0.00 N ATOM 602 CA THR A 42 68.230 49.652 -8.941 1.00 0.00 C ATOM 603 C THR A 42 69.724 49.581 -8.647 1.00 0.00 C ATOM 604 O THR A 42 70.375 48.577 -8.934 1.00 0.00 O ATOM 605 CB THR A 42 67.455 49.634 -7.610 1.00 0.00 C ATOM 606 OG1 THR A 42 67.754 50.812 -6.853 1.00 0.00 O ATOM 607 CG2 THR A 42 67.807 48.398 -6.796 1.00 0.00 C ATOM 0 H THR A 42 67.980 47.630 -9.433 1.00 0.00 H new ATOM 0 HA THR A 42 68.010 50.580 -9.468 1.00 0.00 H new ATOM 0 HB THR A 42 66.389 49.609 -7.836 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.256 50.794 -6.009 1.00 0.00 H new ATOM 0 HG21 THR A 42 67.248 48.407 -5.860 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.551 47.503 -7.363 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.875 48.397 -6.580 1.00 0.00 H new ATOM 615 N GLN A 43 70.261 50.653 -8.074 1.00 0.00 N ATOM 616 CA GLN A 43 71.680 50.711 -7.741 1.00 0.00 C ATOM 617 C GLN A 43 72.078 49.541 -6.848 1.00 0.00 C ATOM 618 O GLN A 43 73.229 49.107 -6.854 1.00 0.00 O ATOM 619 CB GLN A 43 72.009 52.033 -7.046 1.00 0.00 C ATOM 620 CG GLN A 43 71.101 52.343 -5.866 1.00 0.00 C ATOM 621 CD GLN A 43 71.595 53.516 -5.042 1.00 0.00 C ATOM 622 OE1 GLN A 43 72.654 53.449 -4.419 1.00 0.00 O ATOM 623 NE2 GLN A 43 70.827 54.599 -5.035 1.00 0.00 N ATOM 0 H GLN A 43 69.736 51.493 -7.831 1.00 0.00 H new ATOM 0 HA GLN A 43 72.248 50.645 -8.669 1.00 0.00 H new ATOM 0 HB2 GLN A 43 73.043 52.005 -6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 43 71.937 52.843 -7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.097 52.558 -6.232 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.026 51.462 -5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 43 69.957 54.610 -5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 43 71.108 55.420 -4.498 1.00 0.00 H new ATOM 632 N GLU A 44 71.117 49.034 -6.081 1.00 0.00 N ATOM 633 CA GLU A 44 71.369 47.914 -5.182 1.00 0.00 C ATOM 634 C GLU A 44 71.463 46.604 -5.958 1.00 0.00 C ATOM 635 O GLU A 44 72.127 45.660 -5.527 1.00 0.00 O ATOM 636 CB GLU A 44 70.262 47.818 -4.130 1.00 0.00 C ATOM 637 CG GLU A 44 70.783 47.717 -2.706 1.00 0.00 C ATOM 638 CD GLU A 44 71.134 46.296 -2.312 1.00 0.00 C ATOM 639 OE1 GLU A 44 70.216 45.451 -2.260 1.00 0.00 O ATOM 640 OE2 GLU A 44 72.326 46.028 -2.056 1.00 0.00 O ATOM 0 H GLU A 44 70.158 49.381 -6.065 1.00 0.00 H new ATOM 0 HA GLU A 44 72.322 48.089 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.618 48.694 -4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.643 46.947 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 44 71.666 48.348 -2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 44 70.030 48.105 -2.020 1.00 0.00 H new ATOM 647 N HIS A 45 70.794 46.553 -7.106 1.00 0.00 N ATOM 648 CA HIS A 45 70.803 45.358 -7.943 1.00 0.00 C ATOM 649 C HIS A 45 71.999 45.367 -8.889 1.00 0.00 C ATOM 650 O HIS A 45 72.470 44.314 -9.321 1.00 0.00 O ATOM 651 CB HIS A 45 69.504 45.263 -8.744 1.00 0.00 C ATOM 652 CG HIS A 45 68.346 44.743 -7.949 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.185 45.461 -7.753 1.00 0.00 N ATOM 654 CD2 HIS A 45 68.174 43.568 -7.300 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.350 44.750 -7.016 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.926 43.597 -6.729 1.00 0.00 N ATOM 0 H HIS A 45 70.239 47.324 -7.477 1.00 0.00 H new ATOM 0 HA HIS A 45 70.884 44.488 -7.292 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.253 46.250 -9.132 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.664 44.613 -9.604 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.886 42.758 -7.242 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.364 45.059 -6.702 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.511 42.849 -6.173 1.00 0.00 H new ATOM 664 N VAL A 46 72.487 46.562 -9.209 1.00 0.00 N ATOM 665 CA VAL A 46 73.628 46.707 -10.104 1.00 0.00 C ATOM 666 C VAL A 46 74.939 46.448 -9.370 1.00 0.00 C ATOM 667 O VAL A 46 75.920 46.004 -9.967 1.00 0.00 O ATOM 668 CB VAL A 46 73.674 48.113 -10.732 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.816 48.215 -11.731 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.345 48.443 -11.394 1.00 0.00 C ATOM 0 H VAL A 46 72.109 47.443 -8.861 1.00 0.00 H new ATOM 0 HA VAL A 46 73.505 45.967 -10.895 1.00 0.00 H new ATOM 0 HB VAL A 46 73.851 48.841 -9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 46 74.832 49.215 -12.164 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.762 48.024 -11.224 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.674 47.479 -12.523 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.395 49.440 -11.833 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.137 47.712 -12.176 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.550 48.414 -10.649 1.00 0.00 H new ATOM 680 N ARG A 47 74.948 46.727 -8.070 1.00 0.00 N ATOM 681 CA ARG A 47 76.139 46.524 -7.254 1.00 0.00 C ATOM 682 C ARG A 47 76.169 45.112 -6.677 1.00 0.00 C ATOM 683 O ARG A 47 77.238 44.534 -6.482 1.00 0.00 O ATOM 684 CB ARG A 47 76.187 47.551 -6.121 1.00 0.00 C ATOM 685 CG ARG A 47 75.184 47.280 -5.011 1.00 0.00 C ATOM 686 CD ARG A 47 75.330 48.278 -3.873 1.00 0.00 C ATOM 687 NE ARG A 47 74.294 49.306 -3.910 1.00 0.00 N ATOM 688 CZ ARG A 47 73.962 50.053 -2.862 1.00 0.00 C ATOM 689 NH1 ARG A 47 74.582 49.886 -1.702 1.00 0.00 N ATOM 690 NH2 ARG A 47 73.008 50.968 -2.974 1.00 0.00 N ATOM 0 H ARG A 47 74.144 47.094 -7.560 1.00 0.00 H new ATOM 0 HA ARG A 47 77.013 46.655 -7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 47 77.191 47.565 -5.697 1.00 0.00 H new ATOM 0 HB3 ARG A 47 76.001 48.543 -6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 47 74.172 47.330 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 47 75.326 46.269 -4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.283 47.751 -2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.311 48.750 -3.928 1.00 0.00 H new ATOM 0 HE ARG A 47 73.798 49.459 -4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 47 75.316 49.183 -1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 47 74.325 50.461 -0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 47 72.529 51.099 -3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 47 72.754 51.541 -2.169 1.00 0.00 H new ATOM 704 N GLN A 48 74.989 44.564 -6.406 1.00 0.00 N ATOM 705 CA GLN A 48 74.881 43.220 -5.850 1.00 0.00 C ATOM 706 C GLN A 48 75.145 42.166 -6.920 1.00 0.00 C ATOM 707 O GLN A 48 75.913 41.228 -6.705 1.00 0.00 O ATOM 708 CB GLN A 48 73.495 43.008 -5.239 1.00 0.00 C ATOM 709 CG GLN A 48 73.345 43.603 -3.849 1.00 0.00 C ATOM 710 CD GLN A 48 73.409 42.555 -2.755 1.00 0.00 C ATOM 711 OE1 GLN A 48 72.384 42.156 -2.202 1.00 0.00 O ATOM 712 NE2 GLN A 48 74.616 42.102 -2.438 1.00 0.00 N ATOM 0 H GLN A 48 74.095 45.029 -6.562 1.00 0.00 H new ATOM 0 HA GLN A 48 75.634 43.115 -5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.746 43.449 -5.897 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.288 41.939 -5.192 1.00 0.00 H new ATOM 0 HG2 GLN A 48 74.131 44.340 -3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 48 72.394 44.132 -3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 48 75.439 42.461 -2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 48 74.720 41.395 -1.710 1.00 0.00 H new ATOM 721 N TRP A 49 74.504 42.326 -8.072 1.00 0.00 N ATOM 722 CA TRP A 49 74.670 41.387 -9.176 1.00 0.00 C ATOM 723 C TRP A 49 76.144 41.202 -9.517 1.00 0.00 C ATOM 724 O TRP A 49 76.592 40.089 -9.799 1.00 0.00 O ATOM 725 CB TRP A 49 73.907 41.876 -10.408 1.00 0.00 C ATOM 726 CG TRP A 49 74.168 41.054 -11.634 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.783 39.762 -11.852 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.874 41.469 -12.809 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.207 39.349 -13.092 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.878 40.377 -13.699 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.501 42.656 -13.196 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.485 40.440 -14.950 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.104 42.716 -14.438 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.092 41.614 -15.303 1.00 0.00 C ATOM 0 H TRP A 49 73.865 43.097 -8.266 1.00 0.00 H new ATOM 0 HA TRP A 49 74.265 40.424 -8.864 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.839 41.865 -10.193 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.181 42.912 -10.609 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.227 39.155 -11.153 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.048 38.426 -13.495 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.514 43.511 -12.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.477 39.592 -15.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.593 43.628 -14.747 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.571 41.693 -16.268 1.00 0.00 H new ATOM 745 N LEU A 50 76.896 42.297 -9.488 1.00 0.00 N ATOM 746 CA LEU A 50 78.322 42.255 -9.794 1.00 0.00 C ATOM 747 C LEU A 50 79.070 41.395 -8.781 1.00 0.00 C ATOM 748 O LEU A 50 79.698 40.400 -9.142 1.00 0.00 O ATOM 749 CB LEU A 50 78.902 43.670 -9.807 1.00 0.00 C ATOM 750 CG LEU A 50 80.222 43.847 -10.559 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.994 43.774 -12.060 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.879 45.166 -10.180 1.00 0.00 C ATOM 0 H LEU A 50 76.542 43.225 -9.256 1.00 0.00 H new ATOM 0 HA LEU A 50 78.445 41.810 -10.781 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.163 44.340 -10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 50 79.049 43.991 -8.776 1.00 0.00 H new ATOM 0 HG LEU A 50 80.892 43.036 -10.274 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.944 43.902 -12.579 1.00 0.00 H new ATOM 0 HD12 LEU A 50 79.568 42.804 -12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 50 79.306 44.564 -12.362 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.817 45.275 -10.725 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.213 45.991 -10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.078 45.179 -9.108 1.00 0.00 H new ATOM 764 N GLU A 51 78.997 41.784 -7.512 1.00 0.00 N ATOM 765 CA GLU A 51 79.667 41.047 -6.447 1.00 0.00 C ATOM 766 C GLU A 51 79.191 39.598 -6.406 1.00 0.00 C ATOM 767 O GLU A 51 79.916 38.708 -5.959 1.00 0.00 O ATOM 768 CB GLU A 51 79.414 41.717 -5.095 1.00 0.00 C ATOM 769 CG GLU A 51 80.360 42.869 -4.800 1.00 0.00 C ATOM 770 CD GLU A 51 80.148 43.460 -3.420 1.00 0.00 C ATOM 771 OE1 GLU A 51 79.314 44.380 -3.289 1.00 0.00 O ATOM 772 OE2 GLU A 51 80.815 43.000 -2.469 1.00 0.00 O ATOM 0 H GLU A 51 78.481 42.605 -7.196 1.00 0.00 H new ATOM 0 HA GLU A 51 80.737 41.054 -6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.388 42.084 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.507 40.971 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 51 81.389 42.521 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 51 80.222 43.648 -5.550 1.00 0.00 H new ATOM 779 N TRP A 52 77.970 39.369 -6.874 1.00 0.00 N ATOM 780 CA TRP A 52 77.396 38.028 -6.890 1.00 0.00 C ATOM 781 C TRP A 52 77.996 37.193 -8.015 1.00 0.00 C ATOM 782 O TRP A 52 78.572 36.133 -7.774 1.00 0.00 O ATOM 783 CB TRP A 52 75.877 38.103 -7.048 1.00 0.00 C ATOM 784 CG TRP A 52 75.208 36.763 -7.005 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.818 36.077 -5.890 1.00 0.00 C ATOM 786 CD2 TRP A 52 74.853 35.945 -8.125 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.242 34.883 -6.249 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.251 34.778 -7.615 1.00 0.00 C ATOM 789 CE3 TRP A 52 74.984 36.086 -9.509 1.00 0.00 C ATOM 790 CZ2 TRP A 52 73.782 33.761 -8.442 1.00 0.00 C ATOM 791 CZ3 TRP A 52 74.519 35.075 -10.328 1.00 0.00 C ATOM 792 CH2 TRP A 52 73.923 33.925 -9.793 1.00 0.00 C ATOM 0 H TRP A 52 77.358 40.094 -7.248 1.00 0.00 H new ATOM 0 HA TRP A 52 77.632 37.547 -5.941 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.467 38.731 -6.257 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.641 38.589 -7.995 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.944 36.423 -4.875 1.00 0.00 H new ATOM 0 HE1 TRP A 52 73.868 34.187 -5.603 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.440 36.969 -9.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.323 32.874 -8.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 74.617 35.173 -11.399 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.568 33.153 -10.460 1.00 0.00 H new ATOM 803 N ALA A 53 77.858 37.678 -9.245 1.00 0.00 N ATOM 804 CA ALA A 53 78.389 36.976 -10.407 1.00 0.00 C ATOM 805 C ALA A 53 79.861 36.628 -10.212 1.00 0.00 C ATOM 806 O ALA A 53 80.272 35.487 -10.427 1.00 0.00 O ATOM 807 CB ALA A 53 78.205 37.817 -11.661 1.00 0.00 C ATOM 0 H ALA A 53 77.383 38.554 -9.462 1.00 0.00 H new ATOM 0 HA ALA A 53 77.835 36.045 -10.523 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.606 37.281 -12.521 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.144 38.011 -11.817 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.733 38.763 -11.545 1.00 0.00 H new ATOM 813 N ILE A 54 80.650 37.617 -9.806 1.00 0.00 N ATOM 814 CA ILE A 54 82.076 37.414 -9.582 1.00 0.00 C ATOM 815 C ILE A 54 82.321 36.275 -8.599 1.00 0.00 C ATOM 816 O ILE A 54 83.368 35.627 -8.630 1.00 0.00 O ATOM 817 CB ILE A 54 82.749 38.692 -9.049 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.550 39.848 -10.031 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.231 38.447 -8.805 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.791 41.210 -9.419 1.00 0.00 C ATOM 0 H ILE A 54 80.326 38.567 -9.625 1.00 0.00 H new ATOM 0 HA ILE A 54 82.514 37.158 -10.547 1.00 0.00 H new ATOM 0 HB ILE A 54 82.283 38.962 -8.101 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.224 39.715 -10.877 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.534 39.810 -10.423 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.693 39.359 -8.428 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.352 37.649 -8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.710 38.156 -9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.632 41.981 -10.173 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.100 41.364 -8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.816 41.268 -9.052 1.00 0.00 H new ATOM 832 N LYS A 55 81.348 36.033 -7.726 1.00 0.00 N ATOM 833 CA LYS A 55 81.456 34.970 -6.734 1.00 0.00 C ATOM 834 C LYS A 55 81.090 33.620 -7.342 1.00 0.00 C ATOM 835 O LYS A 55 81.931 32.727 -7.442 1.00 0.00 O ATOM 836 CB LYS A 55 80.547 35.266 -5.539 1.00 0.00 C ATOM 837 CG LYS A 55 81.303 35.493 -4.241 1.00 0.00 C ATOM 838 CD LYS A 55 82.009 34.229 -3.779 1.00 0.00 C ATOM 839 CE LYS A 55 81.047 33.274 -3.088 1.00 0.00 C ATOM 840 NZ LYS A 55 81.638 32.687 -1.855 1.00 0.00 N ATOM 0 H LYS A 55 80.475 36.559 -7.686 1.00 0.00 H new ATOM 0 HA LYS A 55 82.491 34.927 -6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.947 36.149 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 55 79.854 34.435 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.034 36.290 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 55 80.610 35.827 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.465 33.732 -4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 55 82.817 34.491 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 55 80.129 33.804 -2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 55 80.773 32.474 -3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 80.951 32.042 -1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 82.500 32.160 -2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 81.876 33.448 -1.188 1.00 0.00 H new ATOM 854 N GLU A 56 79.832 33.479 -7.747 1.00 0.00 N ATOM 855 CA GLU A 56 79.357 32.238 -8.346 1.00 0.00 C ATOM 856 C GLU A 56 80.244 31.823 -9.516 1.00 0.00 C ATOM 857 O GLU A 56 80.879 30.769 -9.485 1.00 0.00 O ATOM 858 CB GLU A 56 77.910 32.394 -8.819 1.00 0.00 C ATOM 859 CG GLU A 56 77.126 31.092 -8.821 1.00 0.00 C ATOM 860 CD GLU A 56 77.840 29.983 -9.569 1.00 0.00 C ATOM 861 OE1 GLU A 56 78.207 30.198 -10.743 1.00 0.00 O ATOM 862 OE2 GLU A 56 78.032 28.899 -8.979 1.00 0.00 O ATOM 0 H GLU A 56 79.124 34.209 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 56 79.401 31.459 -7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.402 33.113 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 56 77.909 32.810 -9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.950 30.777 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 56 76.149 31.261 -9.274 1.00 0.00 H new ATOM 869 N TYR A 57 80.282 32.661 -10.546 1.00 0.00 N ATOM 870 CA TYR A 57 81.089 32.381 -11.728 1.00 0.00 C ATOM 871 C TYR A 57 82.569 32.292 -11.369 1.00 0.00 C ATOM 872 O TYR A 57 83.345 31.622 -12.050 1.00 0.00 O ATOM 873 CB TYR A 57 80.874 33.465 -12.786 1.00 0.00 C ATOM 874 CG TYR A 57 79.491 33.448 -13.398 1.00 0.00 C ATOM 875 CD1 TYR A 57 78.418 34.053 -12.756 1.00 0.00 C ATOM 876 CD2 TYR A 57 79.259 32.828 -14.620 1.00 0.00 C ATOM 877 CE1 TYR A 57 77.154 34.040 -13.311 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.997 32.811 -15.183 1.00 0.00 C ATOM 879 CZ TYR A 57 76.948 33.417 -14.524 1.00 0.00 C ATOM 880 OH TYR A 57 75.690 33.403 -15.081 1.00 0.00 O ATOM 0 H TYR A 57 79.764 33.539 -10.587 1.00 0.00 H new ATOM 0 HA TYR A 57 80.774 31.419 -12.133 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.051 34.441 -12.335 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.614 33.341 -13.577 1.00 0.00 H new ATOM 0 HD1 TYR A 57 78.575 34.542 -11.806 1.00 0.00 H new ATOM 0 HD2 TYR A 57 80.078 32.352 -15.138 1.00 0.00 H new ATOM 0 HE1 TYR A 57 76.331 34.515 -12.798 1.00 0.00 H new ATOM 0 HE2 TYR A 57 77.833 32.326 -16.134 1.00 0.00 H new ATOM 0 HH TYR A 57 75.716 32.925 -15.936 1.00 0.00 H new ATOM 890 N SER A 58 82.952 32.972 -10.294 1.00 0.00 N ATOM 891 CA SER A 58 84.340 32.973 -9.844 1.00 0.00 C ATOM 892 C SER A 58 85.250 33.604 -10.893 1.00 0.00 C ATOM 893 O SER A 58 86.133 32.945 -11.443 1.00 0.00 O ATOM 894 CB SER A 58 84.802 31.546 -9.544 1.00 0.00 C ATOM 895 OG SER A 58 83.731 30.755 -9.056 1.00 0.00 O ATOM 0 H SER A 58 82.321 33.530 -9.718 1.00 0.00 H new ATOM 0 HA SER A 58 84.400 33.566 -8.931 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.209 31.094 -10.449 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.607 31.568 -8.809 1.00 0.00 H new ATOM 0 HG SER A 58 83.183 31.288 -8.443 1.00 0.00 H new ATOM 901 N LEU A 59 85.029 34.886 -11.165 1.00 0.00 N ATOM 902 CA LEU A 59 85.828 35.608 -12.148 1.00 0.00 C ATOM 903 C LEU A 59 87.069 36.216 -11.500 1.00 0.00 C ATOM 904 O LEU A 59 87.386 35.923 -10.348 1.00 0.00 O ATOM 905 CB LEU A 59 84.993 36.708 -12.806 1.00 0.00 C ATOM 906 CG LEU A 59 83.549 36.338 -13.149 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.747 37.584 -13.494 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.512 35.342 -14.299 1.00 0.00 C ATOM 0 H LEU A 59 84.303 35.446 -10.718 1.00 0.00 H new ATOM 0 HA LEU A 59 86.148 34.898 -12.911 1.00 0.00 H new ATOM 0 HB2 LEU A 59 84.978 37.572 -12.142 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.495 37.019 -13.722 1.00 0.00 H new ATOM 0 HG LEU A 59 83.096 35.870 -12.275 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.722 37.302 -13.735 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.745 38.263 -12.641 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.198 38.081 -14.353 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.477 35.090 -14.529 1.00 0.00 H new ATOM 0 HD22 LEU A 59 83.982 35.783 -15.178 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.051 34.438 -14.015 1.00 0.00 H new ATOM 920 N MET A 60 87.766 37.064 -12.249 1.00 0.00 N ATOM 921 CA MET A 60 88.969 37.716 -11.746 1.00 0.00 C ATOM 922 C MET A 60 89.326 38.931 -12.597 1.00 0.00 C ATOM 923 O MET A 60 89.201 38.900 -13.821 1.00 0.00 O ATOM 924 CB MET A 60 90.139 36.730 -11.729 1.00 0.00 C ATOM 925 CG MET A 60 90.411 36.085 -13.078 1.00 0.00 C ATOM 926 SD MET A 60 91.523 34.671 -12.961 1.00 0.00 S ATOM 927 CE MET A 60 90.976 33.693 -14.358 1.00 0.00 C ATOM 0 H MET A 60 87.518 37.316 -13.206 1.00 0.00 H new ATOM 0 HA MET A 60 88.771 38.053 -10.728 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.037 37.251 -11.397 1.00 0.00 H new ATOM 0 HB3 MET A 60 89.934 35.949 -10.997 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.467 35.765 -13.520 1.00 0.00 H new ATOM 0 HG3 MET A 60 90.842 36.827 -13.750 1.00 0.00 H new ATOM 0 HE1 MET A 60 91.571 32.782 -14.419 1.00 0.00 H new ATOM 0 HE2 MET A 60 89.925 33.433 -14.231 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.099 34.269 -15.275 1.00 0.00 H new ATOM 937 N GLU A 61 89.769 39.998 -11.940 1.00 0.00 N ATOM 938 CA GLU A 61 90.142 41.223 -12.638 1.00 0.00 C ATOM 939 C GLU A 61 88.944 41.817 -13.374 1.00 0.00 C ATOM 940 O GLU A 61 88.772 41.604 -14.574 1.00 0.00 O ATOM 941 CB GLU A 61 91.276 40.948 -13.627 1.00 0.00 C ATOM 942 CG GLU A 61 92.465 40.233 -13.007 1.00 0.00 C ATOM 943 CD GLU A 61 93.692 40.262 -13.897 1.00 0.00 C ATOM 944 OE1 GLU A 61 93.582 40.737 -15.046 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.764 39.808 -13.443 1.00 0.00 O ATOM 0 H GLU A 61 89.878 40.039 -10.927 1.00 0.00 H new ATOM 0 HA GLU A 61 90.484 41.944 -11.895 1.00 0.00 H new ATOM 0 HB2 GLU A 61 90.891 40.347 -14.451 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.613 41.893 -14.053 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.704 40.696 -12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.194 39.197 -12.801 1.00 0.00 H new ATOM 952 N ILE A 62 88.119 42.560 -12.645 1.00 0.00 N ATOM 953 CA ILE A 62 86.937 43.185 -13.227 1.00 0.00 C ATOM 954 C ILE A 62 86.642 44.527 -12.566 1.00 0.00 C ATOM 955 O ILE A 62 86.826 44.689 -11.359 1.00 0.00 O ATOM 956 CB ILE A 62 85.699 42.278 -13.097 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.536 42.845 -13.914 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.304 42.128 -11.636 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.387 41.877 -14.082 1.00 0.00 C ATOM 0 H ILE A 62 88.247 42.744 -11.650 1.00 0.00 H new ATOM 0 HA ILE A 62 87.152 43.343 -14.284 1.00 0.00 H new ATOM 0 HB ILE A 62 85.946 41.292 -13.489 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.170 43.750 -13.430 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.902 43.136 -14.899 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.428 41.484 -11.560 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.129 41.684 -11.080 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.071 43.108 -11.220 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.599 42.346 -14.671 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.738 40.981 -14.594 1.00 0.00 H new ATOM 0 HD13 ILE A 62 82.994 41.605 -13.102 1.00 0.00 H new ATOM 971 N ASP A 63 86.183 45.484 -13.363 1.00 0.00 N ATOM 972 CA ASP A 63 85.859 46.812 -12.855 1.00 0.00 C ATOM 973 C ASP A 63 84.686 46.750 -11.882 1.00 0.00 C ATOM 974 O ASP A 63 83.683 46.085 -12.142 1.00 0.00 O ATOM 975 CB ASP A 63 85.528 47.757 -14.012 1.00 0.00 C ATOM 976 CG ASP A 63 86.317 49.051 -13.946 1.00 0.00 C ATOM 977 OD1 ASP A 63 87.486 49.057 -14.386 1.00 0.00 O ATOM 978 OD2 ASP A 63 85.765 50.057 -13.455 1.00 0.00 O ATOM 0 H ASP A 63 86.027 45.366 -14.364 1.00 0.00 H new ATOM 0 HA ASP A 63 86.730 47.193 -12.322 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.736 47.256 -14.957 1.00 0.00 H new ATOM 0 HB3 ASP A 63 84.462 47.984 -13.999 1.00 0.00 H new ATOM 983 N THR A 64 84.818 47.448 -10.758 1.00 0.00 N ATOM 984 CA THR A 64 83.772 47.471 -9.744 1.00 0.00 C ATOM 985 C THR A 64 83.209 48.877 -9.566 1.00 0.00 C ATOM 986 O THR A 64 82.013 49.052 -9.334 1.00 0.00 O ATOM 987 CB THR A 64 84.293 46.963 -8.387 1.00 0.00 C ATOM 988 OG1 THR A 64 85.718 47.092 -8.330 1.00 0.00 O ATOM 989 CG2 THR A 64 83.901 45.510 -8.167 1.00 0.00 C ATOM 0 H THR A 64 85.640 48.005 -10.527 1.00 0.00 H new ATOM 0 HA THR A 64 82.981 46.807 -10.092 1.00 0.00 H new ATOM 0 HB THR A 64 83.842 47.568 -7.600 1.00 0.00 H new ATOM 0 HG1 THR A 64 86.041 46.768 -7.463 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.280 45.173 -7.202 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.815 45.420 -8.182 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.327 44.894 -8.959 1.00 0.00 H new ATOM 997 N SER A 65 84.079 49.876 -9.677 1.00 0.00 N ATOM 998 CA SER A 65 83.669 51.267 -9.524 1.00 0.00 C ATOM 999 C SER A 65 82.755 51.692 -10.669 1.00 0.00 C ATOM 1000 O SER A 65 81.908 52.571 -10.509 1.00 0.00 O ATOM 1001 CB SER A 65 84.896 52.179 -9.471 1.00 0.00 C ATOM 1002 OG SER A 65 85.773 51.794 -8.426 1.00 0.00 O ATOM 0 H SER A 65 85.072 49.748 -9.872 1.00 0.00 H new ATOM 0 HA SER A 65 83.117 51.357 -8.588 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.423 52.141 -10.425 1.00 0.00 H new ATOM 0 HB3 SER A 65 84.580 53.211 -9.323 1.00 0.00 H new ATOM 0 HG SER A 65 86.550 52.391 -8.414 1.00 0.00 H new ATOM 1008 N PHE A 66 82.933 51.062 -11.825 1.00 0.00 N ATOM 1009 CA PHE A 66 82.125 51.374 -12.999 1.00 0.00 C ATOM 1010 C PHE A 66 80.652 51.073 -12.741 1.00 0.00 C ATOM 1011 O PHE A 66 79.767 51.675 -13.349 1.00 0.00 O ATOM 1012 CB PHE A 66 82.616 50.578 -14.209 1.00 0.00 C ATOM 1013 CG PHE A 66 82.958 51.436 -15.393 1.00 0.00 C ATOM 1014 CD1 PHE A 66 84.177 52.090 -15.463 1.00 0.00 C ATOM 1015 CD2 PHE A 66 82.060 51.589 -16.437 1.00 0.00 C ATOM 1016 CE1 PHE A 66 84.494 52.881 -16.551 1.00 0.00 C ATOM 1017 CE2 PHE A 66 82.371 52.379 -17.528 1.00 0.00 C ATOM 1018 CZ PHE A 66 83.590 53.025 -17.585 1.00 0.00 C ATOM 0 H PHE A 66 83.630 50.332 -11.975 1.00 0.00 H new ATOM 0 HA PHE A 66 82.229 52.439 -13.208 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.496 50.002 -13.922 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.847 49.862 -14.499 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.888 51.980 -14.658 1.00 0.00 H new ATOM 0 HD2 PHE A 66 81.106 51.085 -16.398 1.00 0.00 H new ATOM 0 HE1 PHE A 66 85.448 53.386 -16.593 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.662 52.491 -18.335 1.00 0.00 H new ATOM 0 HZ PHE A 66 83.836 53.642 -18.437 1.00 0.00 H new ATOM 1028 N PHE A 67 80.396 50.135 -11.834 1.00 0.00 N ATOM 1029 CA PHE A 67 79.030 49.751 -11.496 1.00 0.00 C ATOM 1030 C PHE A 67 78.670 50.209 -10.086 1.00 0.00 C ATOM 1031 O PHE A 67 77.815 49.615 -9.429 1.00 0.00 O ATOM 1032 CB PHE A 67 78.861 48.235 -11.611 1.00 0.00 C ATOM 1033 CG PHE A 67 79.433 47.662 -12.876 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.689 47.648 -14.044 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.716 47.137 -12.896 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.214 47.121 -15.210 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.245 46.610 -14.058 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.493 46.601 -15.217 1.00 0.00 C ATOM 0 H PHE A 67 81.116 49.627 -11.320 1.00 0.00 H new ATOM 0 HA PHE A 67 78.357 50.239 -12.201 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.341 47.758 -10.756 1.00 0.00 H new ATOM 0 HB3 PHE A 67 77.800 47.991 -11.558 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.688 48.053 -14.044 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.308 47.140 -11.993 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.624 47.116 -16.114 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.246 46.205 -14.061 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.905 46.188 -16.126 1.00 0.00 H new ATOM 1048 N GLN A 68 79.329 51.269 -9.628 1.00 0.00 N ATOM 1049 CA GLN A 68 79.079 51.806 -8.295 1.00 0.00 C ATOM 1050 C GLN A 68 77.787 52.615 -8.268 1.00 0.00 C ATOM 1051 O GLN A 68 77.095 52.664 -7.252 1.00 0.00 O ATOM 1052 CB GLN A 68 80.252 52.679 -7.847 1.00 0.00 C ATOM 1053 CG GLN A 68 80.317 54.021 -8.557 1.00 0.00 C ATOM 1054 CD GLN A 68 79.648 55.131 -7.771 1.00 0.00 C ATOM 1055 OE1 GLN A 68 79.020 54.886 -6.741 1.00 0.00 O ATOM 1056 NE2 GLN A 68 79.778 56.361 -8.254 1.00 0.00 N ATOM 0 H GLN A 68 80.039 51.772 -10.160 1.00 0.00 H new ATOM 0 HA GLN A 68 78.975 50.968 -7.606 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.178 52.849 -6.773 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.183 52.140 -8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.360 54.284 -8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.840 53.934 -9.533 1.00 0.00 H new ATOM 0 HE21 GLN A 68 80.308 56.519 -9.111 1.00 0.00 H new ATOM 0 HE22 GLN A 68 79.348 57.148 -7.768 1.00 0.00 H new ATOM 1065 N ASN A 69 77.468 53.249 -9.392 1.00 0.00 N ATOM 1066 CA ASN A 69 76.258 54.058 -9.496 1.00 0.00 C ATOM 1067 C ASN A 69 75.783 54.141 -10.943 1.00 0.00 C ATOM 1068 O ASN A 69 75.817 55.207 -11.558 1.00 0.00 O ATOM 1069 CB ASN A 69 76.511 55.464 -8.949 1.00 0.00 C ATOM 1070 CG ASN A 69 76.241 55.562 -7.460 1.00 0.00 C ATOM 1071 OD1 ASN A 69 75.506 54.751 -6.896 1.00 0.00 O ATOM 1072 ND2 ASN A 69 76.836 56.560 -6.815 1.00 0.00 N ATOM 0 H ASN A 69 78.030 53.218 -10.243 1.00 0.00 H new ATOM 0 HA ASN A 69 75.479 53.580 -8.903 1.00 0.00 H new ATOM 0 HB2 ASN A 69 77.545 55.748 -9.148 1.00 0.00 H new ATOM 0 HB3 ASN A 69 75.878 56.176 -9.478 1.00 0.00 H new ATOM 0 HD21 ASN A 69 76.692 56.677 -5.812 1.00 0.00 H new ATOM 0 HD22 ASN A 69 77.437 57.209 -7.323 1.00 0.00 H new ATOM 1079 N MET A 70 75.339 53.009 -11.481 1.00 0.00 N ATOM 1080 CA MET A 70 74.855 52.955 -12.855 1.00 0.00 C ATOM 1081 C MET A 70 73.377 52.578 -12.896 1.00 0.00 C ATOM 1082 O MET A 70 72.907 51.784 -12.082 1.00 0.00 O ATOM 1083 CB MET A 70 75.672 51.948 -13.667 1.00 0.00 C ATOM 1084 CG MET A 70 75.442 52.047 -15.166 1.00 0.00 C ATOM 1085 SD MET A 70 76.900 52.625 -16.057 1.00 0.00 S ATOM 1086 CE MET A 70 77.899 51.139 -16.071 1.00 0.00 C ATOM 0 H MET A 70 75.305 52.118 -10.986 1.00 0.00 H new ATOM 0 HA MET A 70 74.972 53.946 -13.294 1.00 0.00 H new ATOM 0 HB2 MET A 70 76.731 52.100 -13.459 1.00 0.00 H new ATOM 0 HB3 MET A 70 75.424 50.940 -13.335 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.150 51.069 -15.550 1.00 0.00 H new ATOM 0 HG3 MET A 70 74.611 52.726 -15.358 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.679 51.232 -16.827 1.00 0.00 H new ATOM 0 HE2 MET A 70 78.357 50.999 -15.092 1.00 0.00 H new ATOM 0 HE3 MET A 70 77.270 50.280 -16.303 1.00 0.00 H new ATOM 1096 N ASP A 71 72.651 53.154 -13.848 1.00 0.00 N ATOM 1097 CA ASP A 71 71.227 52.877 -13.995 1.00 0.00 C ATOM 1098 C ASP A 71 70.999 51.471 -14.539 1.00 0.00 C ATOM 1099 O ASP A 71 71.682 51.034 -15.465 1.00 0.00 O ATOM 1100 CB ASP A 71 70.579 53.907 -14.922 1.00 0.00 C ATOM 1101 CG ASP A 71 71.129 55.304 -14.710 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.105 55.782 -13.556 1.00 0.00 O ATOM 1103 OD2 ASP A 71 71.583 55.919 -15.697 1.00 0.00 O ATOM 0 H ASP A 71 73.025 53.815 -14.529 1.00 0.00 H new ATOM 0 HA ASP A 71 70.766 52.944 -13.010 1.00 0.00 H new ATOM 0 HB2 ASP A 71 70.739 53.610 -15.958 1.00 0.00 H new ATOM 0 HB3 ASP A 71 69.502 53.915 -14.755 1.00 0.00 H new ATOM 1108 N GLY A 72 70.035 50.765 -13.956 1.00 0.00 N ATOM 1109 CA GLY A 72 69.736 49.414 -14.395 1.00 0.00 C ATOM 1110 C GLY A 72 69.480 49.332 -15.887 1.00 0.00 C ATOM 1111 O GLY A 72 69.764 48.314 -16.519 1.00 0.00 O ATOM 0 H GLY A 72 69.456 51.104 -13.188 1.00 0.00 H new ATOM 0 HA2 GLY A 72 70.568 48.759 -14.136 1.00 0.00 H new ATOM 0 HA3 GLY A 72 68.861 49.046 -13.859 1.00 0.00 H new ATOM 1115 N LYS A 73 68.942 50.407 -16.453 1.00 0.00 N ATOM 1116 CA LYS A 73 68.647 50.454 -17.881 1.00 0.00 C ATOM 1117 C LYS A 73 69.929 50.586 -18.697 1.00 0.00 C ATOM 1118 O LYS A 73 70.020 50.074 -19.812 1.00 0.00 O ATOM 1119 CB LYS A 73 67.710 51.624 -18.191 1.00 0.00 C ATOM 1120 CG LYS A 73 66.262 51.208 -18.387 1.00 0.00 C ATOM 1121 CD LYS A 73 65.635 51.916 -19.576 1.00 0.00 C ATOM 1122 CE LYS A 73 64.976 53.222 -19.162 1.00 0.00 C ATOM 1123 NZ LYS A 73 64.024 53.715 -20.196 1.00 0.00 N ATOM 0 H LYS A 73 68.701 51.258 -15.945 1.00 0.00 H new ATOM 0 HA LYS A 73 68.156 49.521 -18.156 1.00 0.00 H new ATOM 0 HB2 LYS A 73 67.765 52.348 -17.378 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.059 52.130 -19.091 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.209 50.129 -18.535 1.00 0.00 H new ATOM 0 HG3 LYS A 73 65.692 51.434 -17.486 1.00 0.00 H new ATOM 0 HD2 LYS A 73 66.400 52.115 -20.327 1.00 0.00 H new ATOM 0 HD3 LYS A 73 64.894 51.264 -20.040 1.00 0.00 H new ATOM 0 HE2 LYS A 73 64.447 53.079 -18.220 1.00 0.00 H new ATOM 0 HE3 LYS A 73 65.743 53.976 -18.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 63.596 54.607 -19.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 64.533 53.876 -21.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 63.277 53.007 -20.346 1.00 0.00 H new ATOM 1137 N GLU A 74 70.917 51.274 -18.132 1.00 0.00 N ATOM 1138 CA GLU A 74 72.193 51.471 -18.809 1.00 0.00 C ATOM 1139 C GLU A 74 72.924 50.144 -18.989 1.00 0.00 C ATOM 1140 O GLU A 74 73.604 49.928 -19.993 1.00 0.00 O ATOM 1141 CB GLU A 74 73.069 52.446 -18.019 1.00 0.00 C ATOM 1142 CG GLU A 74 73.601 53.599 -18.853 1.00 0.00 C ATOM 1143 CD GLU A 74 74.976 53.317 -19.428 1.00 0.00 C ATOM 1144 OE1 GLU A 74 75.299 52.130 -19.639 1.00 0.00 O ATOM 1145 OE2 GLU A 74 75.728 54.285 -19.668 1.00 0.00 O ATOM 0 H GLU A 74 70.858 51.703 -17.209 1.00 0.00 H new ATOM 0 HA GLU A 74 71.992 51.891 -19.794 1.00 0.00 H new ATOM 0 HB2 GLU A 74 72.491 52.847 -17.186 1.00 0.00 H new ATOM 0 HB3 GLU A 74 73.910 51.900 -17.590 1.00 0.00 H new ATOM 0 HG2 GLU A 74 72.906 53.805 -19.667 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.646 54.497 -18.237 1.00 0.00 H new ATOM 1152 N LEU A 75 72.780 49.258 -18.009 1.00 0.00 N ATOM 1153 CA LEU A 75 73.427 47.952 -18.058 1.00 0.00 C ATOM 1154 C LEU A 75 73.120 47.241 -19.372 1.00 0.00 C ATOM 1155 O LEU A 75 74.029 46.865 -20.113 1.00 0.00 O ATOM 1156 CB LEU A 75 72.969 47.090 -16.880 1.00 0.00 C ATOM 1157 CG LEU A 75 74.052 46.698 -15.874 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.439 47.891 -15.014 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.580 45.542 -15.005 1.00 0.00 C ATOM 0 H LEU A 75 72.221 49.421 -17.171 1.00 0.00 H new ATOM 0 HA LEU A 75 74.504 48.105 -17.992 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.183 47.626 -16.347 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.521 46.178 -17.275 1.00 0.00 H new ATOM 0 HG LEU A 75 74.934 46.374 -16.427 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.211 47.593 -14.304 1.00 0.00 H new ATOM 0 HD12 LEU A 75 74.820 48.690 -15.650 1.00 0.00 H new ATOM 0 HD13 LEU A 75 73.564 48.247 -14.470 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.364 45.277 -14.295 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.683 45.838 -14.461 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.355 44.682 -15.635 1.00 0.00 H new ATOM 1171 N CYS A 76 71.835 47.062 -19.655 1.00 0.00 N ATOM 1172 CA CYS A 76 71.407 46.397 -20.882 1.00 0.00 C ATOM 1173 C CYS A 76 71.809 47.209 -22.109 1.00 0.00 C ATOM 1174 O CYS A 76 71.942 46.669 -23.208 1.00 0.00 O ATOM 1175 CB CYS A 76 69.893 46.184 -20.870 1.00 0.00 C ATOM 1176 SG CYS A 76 69.388 44.494 -20.471 1.00 0.00 S ATOM 0 H CYS A 76 71.071 47.368 -19.052 1.00 0.00 H new ATOM 0 HA CYS A 76 71.902 45.427 -20.932 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.447 46.866 -20.146 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.492 46.450 -21.848 1.00 0.00 H new ATOM 0 HG CYS A 76 68.113 44.359 -20.688 1.00 0.00 H new ATOM 1182 N LYS A 77 72.001 48.509 -21.914 1.00 0.00 N ATOM 1183 CA LYS A 77 72.388 49.397 -23.004 1.00 0.00 C ATOM 1184 C LYS A 77 73.873 49.255 -23.321 1.00 0.00 C ATOM 1185 O LYS A 77 74.299 49.473 -24.455 1.00 0.00 O ATOM 1186 CB LYS A 77 72.069 50.850 -22.644 1.00 0.00 C ATOM 1187 CG LYS A 77 72.747 51.864 -23.548 1.00 0.00 C ATOM 1188 CD LYS A 77 71.969 53.168 -23.606 1.00 0.00 C ATOM 1189 CE LYS A 77 71.101 53.244 -24.853 1.00 0.00 C ATOM 1190 NZ LYS A 77 71.812 53.900 -25.984 1.00 0.00 N ATOM 0 H LYS A 77 71.895 48.971 -21.011 1.00 0.00 H new ATOM 0 HA LYS A 77 71.817 49.115 -23.889 1.00 0.00 H new ATOM 0 HB2 LYS A 77 70.990 50.998 -22.691 1.00 0.00 H new ATOM 0 HB3 LYS A 77 72.372 51.035 -21.613 1.00 0.00 H new ATOM 0 HG2 LYS A 77 73.757 52.058 -23.186 1.00 0.00 H new ATOM 0 HG3 LYS A 77 72.842 51.451 -24.552 1.00 0.00 H new ATOM 0 HD2 LYS A 77 71.342 53.259 -22.719 1.00 0.00 H new ATOM 0 HD3 LYS A 77 72.663 54.008 -23.593 1.00 0.00 H new ATOM 0 HE2 LYS A 77 70.800 52.239 -25.148 1.00 0.00 H new ATOM 0 HE3 LYS A 77 70.189 53.797 -24.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 71.187 53.932 -26.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 72.077 54.868 -25.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 72.669 53.358 -26.216 1.00 0.00 H new ATOM 1204 N MET A 78 74.656 48.889 -22.311 1.00 0.00 N ATOM 1205 CA MET A 78 76.094 48.715 -22.484 1.00 0.00 C ATOM 1206 C MET A 78 76.391 47.667 -23.551 1.00 0.00 C ATOM 1207 O MET A 78 76.117 46.482 -23.363 1.00 0.00 O ATOM 1208 CB MET A 78 76.743 48.310 -21.159 1.00 0.00 C ATOM 1209 CG MET A 78 76.868 49.456 -20.168 1.00 0.00 C ATOM 1210 SD MET A 78 77.958 49.063 -18.787 1.00 0.00 S ATOM 1211 CE MET A 78 79.513 48.819 -19.641 1.00 0.00 C ATOM 0 H MET A 78 74.320 48.707 -21.365 1.00 0.00 H new ATOM 0 HA MET A 78 76.513 49.667 -22.810 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.156 47.511 -20.706 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.734 47.903 -21.359 1.00 0.00 H new ATOM 0 HG2 MET A 78 77.246 50.338 -20.684 1.00 0.00 H new ATOM 0 HG3 MET A 78 75.880 49.710 -19.785 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.315 48.709 -18.912 1.00 0.00 H new ATOM 0 HE2 MET A 78 79.454 47.920 -20.254 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.717 49.680 -20.278 1.00 0.00 H new ATOM 1221 N ASN A 79 76.953 48.111 -24.671 1.00 0.00 N ATOM 1222 CA ASN A 79 77.286 47.210 -25.768 1.00 0.00 C ATOM 1223 C ASN A 79 78.551 46.416 -25.455 1.00 0.00 C ATOM 1224 O ASN A 79 79.053 46.444 -24.331 1.00 0.00 O ATOM 1225 CB ASN A 79 77.474 48.000 -27.065 1.00 0.00 C ATOM 1226 CG ASN A 79 76.472 49.129 -27.205 1.00 0.00 C ATOM 1227 OD1 ASN A 79 76.844 50.300 -27.267 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.191 48.780 -27.255 1.00 0.00 N ATOM 0 H ASN A 79 77.187 49.089 -24.842 1.00 0.00 H new ATOM 0 HA ASN A 79 76.460 46.509 -25.893 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.484 48.409 -27.095 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.378 47.325 -27.915 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.471 49.496 -27.348 1.00 0.00 H new ATOM 0 HD22 ASN A 79 74.928 47.796 -27.200 1.00 0.00 H new ATOM 1235 N LYS A 80 79.061 45.708 -26.457 1.00 0.00 N ATOM 1236 CA LYS A 80 80.268 44.907 -26.291 1.00 0.00 C ATOM 1237 C LYS A 80 81.440 45.775 -25.845 1.00 0.00 C ATOM 1238 O LYS A 80 81.967 45.605 -24.746 1.00 0.00 O ATOM 1239 CB LYS A 80 80.617 44.195 -27.600 1.00 0.00 C ATOM 1240 CG LYS A 80 81.646 43.090 -27.436 1.00 0.00 C ATOM 1241 CD LYS A 80 80.986 41.754 -27.138 1.00 0.00 C ATOM 1242 CE LYS A 80 80.927 40.872 -28.376 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.321 41.584 -29.535 1.00 0.00 N ATOM 0 H LYS A 80 78.657 45.673 -27.393 1.00 0.00 H new ATOM 0 HA LYS A 80 80.076 44.162 -25.519 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.708 43.773 -28.028 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.994 44.928 -28.313 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.241 43.008 -28.345 1.00 0.00 H new ATOM 0 HG3 LYS A 80 82.331 43.347 -26.628 1.00 0.00 H new ATOM 0 HD2 LYS A 80 81.539 41.241 -26.351 1.00 0.00 H new ATOM 0 HD3 LYS A 80 79.977 41.922 -26.761 1.00 0.00 H new ATOM 0 HE2 LYS A 80 81.933 40.544 -28.637 1.00 0.00 H new ATOM 0 HE3 LYS A 80 80.347 39.976 -28.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.143 40.907 -30.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.423 42.021 -29.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 80.973 42.322 -29.868 1.00 0.00 H new ATOM 1257 N GLU A 81 81.842 46.706 -26.704 1.00 0.00 N ATOM 1258 CA GLU A 81 82.952 47.601 -26.397 1.00 0.00 C ATOM 1259 C GLU A 81 82.747 48.277 -25.044 1.00 0.00 C ATOM 1260 O GLU A 81 83.700 48.491 -24.295 1.00 0.00 O ATOM 1261 CB GLU A 81 83.100 48.660 -27.491 1.00 0.00 C ATOM 1262 CG GLU A 81 81.781 49.280 -27.921 1.00 0.00 C ATOM 1263 CD GLU A 81 81.958 50.643 -28.561 1.00 0.00 C ATOM 1264 OE1 GLU A 81 83.032 50.888 -29.149 1.00 0.00 O ATOM 1265 OE2 GLU A 81 81.022 51.465 -28.474 1.00 0.00 O ATOM 0 H GLU A 81 81.416 46.860 -27.618 1.00 0.00 H new ATOM 0 HA GLU A 81 83.864 47.005 -26.352 1.00 0.00 H new ATOM 0 HB2 GLU A 81 83.763 49.448 -27.134 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.580 48.208 -28.359 1.00 0.00 H new ATOM 0 HG2 GLU A 81 81.283 48.614 -28.626 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.127 49.372 -27.054 1.00 0.00 H new ATOM 1272 N ASP A 82 81.498 48.610 -24.739 1.00 0.00 N ATOM 1273 CA ASP A 82 81.167 49.261 -23.477 1.00 0.00 C ATOM 1274 C ASP A 82 81.618 48.411 -22.293 1.00 0.00 C ATOM 1275 O ASP A 82 81.988 48.938 -21.243 1.00 0.00 O ATOM 1276 CB ASP A 82 79.662 49.519 -23.391 1.00 0.00 C ATOM 1277 CG ASP A 82 79.168 50.435 -24.494 1.00 0.00 C ATOM 1278 OD1 ASP A 82 79.993 50.852 -25.332 1.00 0.00 O ATOM 1279 OD2 ASP A 82 77.956 50.736 -24.517 1.00 0.00 O ATOM 0 H ASP A 82 80.698 48.440 -25.348 1.00 0.00 H new ATOM 0 HA ASP A 82 81.694 50.214 -23.439 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.130 48.569 -23.446 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.427 49.961 -22.423 1.00 0.00 H new ATOM 1284 N PHE A 83 81.583 47.095 -22.469 1.00 0.00 N ATOM 1285 CA PHE A 83 81.987 46.172 -21.414 1.00 0.00 C ATOM 1286 C PHE A 83 83.454 45.782 -21.564 1.00 0.00 C ATOM 1287 O PHE A 83 84.156 45.566 -20.575 1.00 0.00 O ATOM 1288 CB PHE A 83 81.109 44.918 -21.441 1.00 0.00 C ATOM 1289 CG PHE A 83 79.950 44.978 -20.487 1.00 0.00 C ATOM 1290 CD1 PHE A 83 80.158 45.213 -19.138 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.653 44.797 -20.941 1.00 0.00 C ATOM 1292 CE1 PHE A 83 79.093 45.269 -18.258 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.585 44.852 -20.065 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.805 45.086 -18.722 1.00 0.00 C ATOM 0 H PHE A 83 81.279 46.643 -23.332 1.00 0.00 H new ATOM 0 HA PHE A 83 81.860 46.677 -20.456 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.730 44.771 -22.452 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.722 44.049 -21.201 1.00 0.00 H new ATOM 0 HD1 PHE A 83 81.163 45.354 -18.769 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.475 44.611 -21.990 1.00 0.00 H new ATOM 0 HE1 PHE A 83 79.268 45.456 -17.209 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.579 44.712 -20.431 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.972 45.126 -18.036 1.00 0.00 H new ATOM 1304 N LEU A 84 83.912 45.694 -22.808 1.00 0.00 N ATOM 1305 CA LEU A 84 85.297 45.330 -23.090 1.00 0.00 C ATOM 1306 C LEU A 84 86.263 46.281 -22.390 1.00 0.00 C ATOM 1307 O LEU A 84 87.402 45.919 -22.096 1.00 0.00 O ATOM 1308 CB LEU A 84 85.552 45.344 -24.598 1.00 0.00 C ATOM 1309 CG LEU A 84 85.005 44.151 -25.382 1.00 0.00 C ATOM 1310 CD1 LEU A 84 84.625 44.569 -26.794 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.024 43.021 -25.414 1.00 0.00 C ATOM 0 H LEU A 84 83.345 45.870 -23.638 1.00 0.00 H new ATOM 0 HA LEU A 84 85.467 44.323 -22.709 1.00 0.00 H new ATOM 0 HB2 LEU A 84 85.118 46.255 -25.011 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.628 45.400 -24.764 1.00 0.00 H new ATOM 0 HG LEU A 84 84.108 43.790 -24.878 1.00 0.00 H new ATOM 0 HD11 LEU A 84 84.238 43.707 -27.337 1.00 0.00 H new ATOM 0 HD12 LEU A 84 83.860 45.344 -26.751 1.00 0.00 H new ATOM 0 HD13 LEU A 84 85.505 44.956 -27.308 1.00 0.00 H new ATOM 0 HD21 LEU A 84 85.617 42.180 -25.976 1.00 0.00 H new ATOM 0 HD22 LEU A 84 86.939 43.370 -25.893 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.246 42.703 -24.396 1.00 0.00 H new ATOM 1323 N ARG A 85 85.799 47.498 -22.125 1.00 0.00 N ATOM 1324 CA ARG A 85 86.622 48.500 -21.458 1.00 0.00 C ATOM 1325 C ARG A 85 86.749 48.197 -19.969 1.00 0.00 C ATOM 1326 O ARG A 85 87.722 48.590 -19.326 1.00 0.00 O ATOM 1327 CB ARG A 85 86.024 49.895 -21.657 1.00 0.00 C ATOM 1328 CG ARG A 85 86.063 50.375 -23.098 1.00 0.00 C ATOM 1329 CD ARG A 85 85.283 51.668 -23.276 1.00 0.00 C ATOM 1330 NE ARG A 85 85.353 52.165 -24.647 1.00 0.00 N ATOM 1331 CZ ARG A 85 84.548 53.106 -25.129 1.00 0.00 C ATOM 1332 NH1 ARG A 85 83.619 53.649 -24.355 1.00 0.00 N ATOM 1333 NH2 ARG A 85 84.674 53.506 -26.388 1.00 0.00 N ATOM 0 H ARG A 85 84.858 47.814 -22.362 1.00 0.00 H new ATOM 0 HA ARG A 85 87.617 48.471 -21.902 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.990 49.890 -21.313 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.565 50.605 -21.032 1.00 0.00 H new ATOM 0 HG2 ARG A 85 87.098 50.528 -23.404 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.649 49.606 -23.750 1.00 0.00 H new ATOM 0 HD2 ARG A 85 84.241 51.503 -23.003 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.675 52.424 -22.596 1.00 0.00 H new ATOM 0 HE ARG A 85 86.058 51.768 -25.268 1.00 0.00 H new ATOM 0 HH11 ARG A 85 83.520 53.345 -23.386 1.00 0.00 H new ATOM 0 HH12 ARG A 85 83.003 54.371 -24.728 1.00 0.00 H new ATOM 0 HH21 ARG A 85 85.389 53.091 -26.986 1.00 0.00 H new ATOM 0 HH22 ARG A 85 84.056 54.228 -26.758 1.00 0.00 H new ATOM 1347 N ALA A 86 85.759 47.496 -19.426 1.00 0.00 N ATOM 1348 CA ALA A 86 85.761 47.138 -18.013 1.00 0.00 C ATOM 1349 C ALA A 86 86.400 45.771 -17.794 1.00 0.00 C ATOM 1350 O ALA A 86 87.228 45.597 -16.899 1.00 0.00 O ATOM 1351 CB ALA A 86 84.342 47.154 -17.463 1.00 0.00 C ATOM 0 H ALA A 86 84.945 47.165 -19.944 1.00 0.00 H new ATOM 0 HA ALA A 86 86.355 47.878 -17.477 1.00 0.00 H new ATOM 0 HB1 ALA A 86 84.358 46.885 -16.407 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.919 48.152 -17.577 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.731 46.437 -18.011 1.00 0.00 H new ATOM 1357 N THR A 87 86.011 44.802 -18.616 1.00 0.00 N ATOM 1358 CA THR A 87 86.545 43.450 -18.510 1.00 0.00 C ATOM 1359 C THR A 87 86.892 42.887 -19.884 1.00 0.00 C ATOM 1360 O THR A 87 86.623 43.513 -20.909 1.00 0.00 O ATOM 1361 CB THR A 87 85.546 42.504 -17.818 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.177 41.252 -17.526 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.325 42.269 -18.695 1.00 0.00 C ATOM 0 H THR A 87 85.328 44.928 -19.363 1.00 0.00 H new ATOM 0 HA THR A 87 87.451 43.514 -17.907 1.00 0.00 H new ATOM 0 HB THR A 87 85.222 42.973 -16.889 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.445 41.233 -16.584 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.634 41.598 -18.185 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.829 43.220 -18.891 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.636 41.821 -19.639 1.00 0.00 H new ATOM 1371 N THR A 88 87.490 41.700 -19.898 1.00 0.00 N ATOM 1372 CA THR A 88 87.874 41.052 -21.146 1.00 0.00 C ATOM 1373 C THR A 88 86.667 40.426 -21.834 1.00 0.00 C ATOM 1374 O THR A 88 85.540 40.526 -21.347 1.00 0.00 O ATOM 1375 CB THR A 88 88.938 39.963 -20.909 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.342 38.826 -20.275 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.073 40.494 -20.047 1.00 0.00 C ATOM 0 H THR A 88 87.719 41.168 -19.059 1.00 0.00 H new ATOM 0 HA THR A 88 88.294 41.826 -21.788 1.00 0.00 H new ATOM 0 HB THR A 88 89.345 39.667 -21.876 1.00 0.00 H new ATOM 0 HG1 THR A 88 89.024 38.138 -20.129 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.812 39.707 -19.893 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.543 41.341 -20.546 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.678 40.814 -19.083 1.00 0.00 H new ATOM 1385 N LEU A 89 86.909 39.780 -22.970 1.00 0.00 N ATOM 1386 CA LEU A 89 85.840 39.136 -23.726 1.00 0.00 C ATOM 1387 C LEU A 89 85.291 37.929 -22.973 1.00 0.00 C ATOM 1388 O LEU A 89 84.079 37.720 -22.913 1.00 0.00 O ATOM 1389 CB LEU A 89 86.351 38.705 -25.102 1.00 0.00 C ATOM 1390 CG LEU A 89 85.300 38.604 -26.207 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.276 37.530 -25.874 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.616 39.947 -26.417 1.00 0.00 C ATOM 0 H LEU A 89 87.835 39.688 -23.387 1.00 0.00 H new ATOM 0 HA LEU A 89 85.033 39.858 -23.854 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.117 39.412 -25.421 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.836 37.734 -25.000 1.00 0.00 H new ATOM 0 HG LEU A 89 85.801 38.325 -27.134 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.536 37.473 -26.672 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.778 36.567 -25.775 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.780 37.779 -24.936 1.00 0.00 H new ATOM 0 HD21 LEU A 89 83.871 39.856 -27.207 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.128 40.255 -25.492 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.358 40.693 -26.702 1.00 0.00 H new ATOM 1404 N TYR A 90 86.190 37.138 -22.398 1.00 0.00 N ATOM 1405 CA TYR A 90 85.796 35.951 -21.649 1.00 0.00 C ATOM 1406 C TYR A 90 84.746 36.294 -20.597 1.00 0.00 C ATOM 1407 O TYR A 90 83.899 35.469 -20.257 1.00 0.00 O ATOM 1408 CB TYR A 90 87.016 35.316 -20.979 1.00 0.00 C ATOM 1409 CG TYR A 90 86.689 34.084 -20.167 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.686 32.823 -20.751 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.382 34.180 -18.815 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.387 31.695 -20.012 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.083 33.057 -18.068 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.086 31.817 -18.672 1.00 0.00 C ATOM 1415 OH TYR A 90 85.788 30.695 -17.932 1.00 0.00 O ATOM 0 H TYR A 90 87.197 37.298 -22.436 1.00 0.00 H new ATOM 0 HA TYR A 90 85.363 35.238 -22.350 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.745 35.053 -21.746 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.488 36.053 -20.330 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.921 32.723 -21.800 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.377 35.150 -18.340 1.00 0.00 H new ATOM 0 HE1 TYR A 90 86.389 30.722 -20.481 1.00 0.00 H new ATOM 0 HE2 TYR A 90 85.848 33.149 -17.018 1.00 0.00 H new ATOM 0 HH TYR A 90 85.601 30.954 -17.006 1.00 0.00 H new ATOM 1425 N ASN A 91 84.809 37.520 -20.086 1.00 0.00 N ATOM 1426 CA ASN A 91 83.864 37.974 -19.073 1.00 0.00 C ATOM 1427 C ASN A 91 82.681 38.692 -19.715 1.00 0.00 C ATOM 1428 O ASN A 91 81.540 38.552 -19.273 1.00 0.00 O ATOM 1429 CB ASN A 91 84.560 38.905 -18.077 1.00 0.00 C ATOM 1430 CG ASN A 91 84.987 38.183 -16.813 1.00 0.00 C ATOM 1431 OD1 ASN A 91 84.272 37.318 -16.307 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.157 38.538 -16.296 1.00 0.00 N ATOM 0 H ASN A 91 85.504 38.216 -20.357 1.00 0.00 H new ATOM 0 HA ASN A 91 83.490 37.098 -18.542 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.435 39.351 -18.551 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.887 39.722 -17.816 1.00 0.00 H new ATOM 0 HD21 ASN A 91 86.496 38.089 -15.446 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.717 39.260 -16.749 1.00 0.00 H new ATOM 1439 N THR A 92 82.960 39.463 -20.762 1.00 0.00 N ATOM 1440 CA THR A 92 81.921 40.204 -21.465 1.00 0.00 C ATOM 1441 C THR A 92 80.767 39.290 -21.862 1.00 0.00 C ATOM 1442 O THR A 92 79.600 39.660 -21.740 1.00 0.00 O ATOM 1443 CB THR A 92 82.476 40.889 -22.728 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.513 41.809 -22.371 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.373 41.625 -23.474 1.00 0.00 C ATOM 0 H THR A 92 83.898 39.590 -21.142 1.00 0.00 H new ATOM 0 HA THR A 92 81.557 40.967 -20.777 1.00 0.00 H new ATOM 0 HB THR A 92 82.884 40.119 -23.382 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.262 41.319 -21.971 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.789 42.101 -24.362 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.599 40.917 -23.770 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.939 42.385 -22.825 1.00 0.00 H new ATOM 1453 N GLU A 93 81.102 38.094 -22.336 1.00 0.00 N ATOM 1454 CA GLU A 93 80.092 37.127 -22.750 1.00 0.00 C ATOM 1455 C GLU A 93 79.361 36.551 -21.541 1.00 0.00 C ATOM 1456 O GLU A 93 78.210 36.126 -21.641 1.00 0.00 O ATOM 1457 CB GLU A 93 80.736 35.997 -23.556 1.00 0.00 C ATOM 1458 CG GLU A 93 81.210 36.426 -24.935 1.00 0.00 C ATOM 1459 CD GLU A 93 80.398 35.801 -26.052 1.00 0.00 C ATOM 1460 OE1 GLU A 93 80.285 34.557 -26.078 1.00 0.00 O ATOM 1461 OE2 GLU A 93 79.875 36.554 -26.900 1.00 0.00 O ATOM 0 H GLU A 93 82.064 37.772 -22.443 1.00 0.00 H new ATOM 0 HA GLU A 93 79.367 37.645 -23.378 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.584 35.601 -22.997 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.018 35.184 -23.665 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.153 37.512 -25.013 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.258 36.152 -25.056 1.00 0.00 H new ATOM 1468 N VAL A 94 80.038 36.541 -20.397 1.00 0.00 N ATOM 1469 CA VAL A 94 79.455 36.018 -19.168 1.00 0.00 C ATOM 1470 C VAL A 94 78.493 37.024 -18.545 1.00 0.00 C ATOM 1471 O VAL A 94 77.544 36.647 -17.856 1.00 0.00 O ATOM 1472 CB VAL A 94 80.543 35.660 -18.138 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.913 35.147 -16.852 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.505 34.633 -18.716 1.00 0.00 C ATOM 0 H VAL A 94 80.991 36.890 -20.296 1.00 0.00 H new ATOM 0 HA VAL A 94 78.908 35.114 -19.437 1.00 0.00 H new ATOM 0 HB VAL A 94 81.108 36.562 -17.903 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.697 34.899 -16.136 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.267 35.917 -16.431 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.323 34.256 -17.066 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.267 34.391 -17.975 1.00 0.00 H new ATOM 0 HG22 VAL A 94 80.956 33.729 -18.980 1.00 0.00 H new ATOM 0 HG23 VAL A 94 81.982 35.042 -19.607 1.00 0.00 H new ATOM 1484 N LEU A 95 78.743 38.305 -18.792 1.00 0.00 N ATOM 1485 CA LEU A 95 77.899 39.367 -18.257 1.00 0.00 C ATOM 1486 C LEU A 95 76.773 39.709 -19.227 1.00 0.00 C ATOM 1487 O LEU A 95 75.595 39.670 -18.867 1.00 0.00 O ATOM 1488 CB LEU A 95 78.736 40.614 -17.969 1.00 0.00 C ATOM 1489 CG LEU A 95 79.847 40.452 -16.931 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.908 41.526 -17.113 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.273 40.500 -15.523 1.00 0.00 C ATOM 0 H LEU A 95 79.524 38.633 -19.360 1.00 0.00 H new ATOM 0 HA LEU A 95 77.456 39.011 -17.327 1.00 0.00 H new ATOM 0 HB2 LEU A 95 79.186 40.949 -18.904 1.00 0.00 H new ATOM 0 HB3 LEU A 95 78.067 41.407 -17.635 1.00 0.00 H new ATOM 0 HG LEU A 95 80.315 39.479 -17.077 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.690 41.395 -16.366 1.00 0.00 H new ATOM 0 HD12 LEU A 95 81.341 41.444 -18.110 1.00 0.00 H new ATOM 0 HD13 LEU A 95 80.454 42.510 -16.994 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.078 40.383 -14.798 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.778 41.458 -15.364 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.551 39.693 -15.397 1.00 0.00 H new ATOM 1503 N LEU A 96 77.141 40.042 -20.459 1.00 0.00 N ATOM 1504 CA LEU A 96 76.162 40.389 -21.483 1.00 0.00 C ATOM 1505 C LEU A 96 75.098 39.303 -21.609 1.00 0.00 C ATOM 1506 O LEU A 96 73.906 39.567 -21.453 1.00 0.00 O ATOM 1507 CB LEU A 96 76.856 40.598 -22.830 1.00 0.00 C ATOM 1508 CG LEU A 96 75.955 41.020 -23.991 1.00 0.00 C ATOM 1509 CD1 LEU A 96 75.130 42.239 -23.610 1.00 0.00 C ATOM 1510 CD2 LEU A 96 76.785 41.303 -25.235 1.00 0.00 C ATOM 0 H LEU A 96 78.111 40.079 -20.773 1.00 0.00 H new ATOM 0 HA LEU A 96 75.674 41.317 -21.185 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.630 41.355 -22.704 1.00 0.00 H new ATOM 0 HB3 LEU A 96 77.359 39.671 -23.105 1.00 0.00 H new ATOM 0 HG LEU A 96 75.273 40.200 -24.213 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.495 42.525 -24.448 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.507 42.002 -22.747 1.00 0.00 H new ATOM 0 HD13 LEU A 96 75.796 43.065 -23.361 1.00 0.00 H new ATOM 0 HD21 LEU A 96 76.127 41.602 -26.051 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.492 42.106 -25.026 1.00 0.00 H new ATOM 0 HD23 LEU A 96 77.331 40.404 -25.520 1.00 0.00 H new ATOM 1522 N SER A 97 75.538 38.081 -21.891 1.00 0.00 N ATOM 1523 CA SER A 97 74.623 36.955 -22.039 1.00 0.00 C ATOM 1524 C SER A 97 73.697 36.844 -20.832 1.00 0.00 C ATOM 1525 O SER A 97 72.476 36.777 -20.975 1.00 0.00 O ATOM 1526 CB SER A 97 75.407 35.653 -22.216 1.00 0.00 C ATOM 1527 OG SER A 97 74.554 34.594 -22.614 1.00 0.00 O ATOM 0 H SER A 97 76.522 37.845 -22.022 1.00 0.00 H new ATOM 0 HA SER A 97 74.015 37.128 -22.927 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.189 35.794 -22.962 1.00 0.00 H new ATOM 0 HB3 SER A 97 75.902 35.393 -21.280 1.00 0.00 H new ATOM 0 HG SER A 97 75.079 33.774 -22.722 1.00 0.00 H new ATOM 1533 N HIS A 98 74.288 36.826 -19.641 1.00 0.00 N ATOM 1534 CA HIS A 98 73.518 36.724 -18.407 1.00 0.00 C ATOM 1535 C HIS A 98 72.426 37.789 -18.359 1.00 0.00 C ATOM 1536 O HIS A 98 71.274 37.497 -18.032 1.00 0.00 O ATOM 1537 CB HIS A 98 74.437 36.865 -17.193 1.00 0.00 C ATOM 1538 CG HIS A 98 73.812 36.406 -15.912 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.452 36.247 -15.752 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.370 36.069 -14.726 1.00 0.00 C ATOM 1541 CE1 HIS A 98 72.200 35.834 -14.523 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.348 35.718 -13.879 1.00 0.00 N ATOM 0 H HIS A 98 75.297 36.881 -19.505 1.00 0.00 H new ATOM 0 HA HIS A 98 73.046 35.742 -18.383 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.348 36.293 -17.369 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.732 37.909 -17.090 1.00 0.00 H new ATOM 0 HD1 HIS A 98 71.750 36.421 -16.471 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.424 36.075 -14.490 1.00 0.00 H new ATOM 0 HE1 HIS A 98 71.222 35.626 -14.114 1.00 0.00 H new ATOM 1550 N LEU A 99 72.794 39.022 -18.685 1.00 0.00 N ATOM 1551 CA LEU A 99 71.846 40.131 -18.678 1.00 0.00 C ATOM 1552 C LEU A 99 70.727 39.897 -19.688 1.00 0.00 C ATOM 1553 O LEU A 99 69.620 40.411 -19.533 1.00 0.00 O ATOM 1554 CB LEU A 99 72.565 41.444 -18.992 1.00 0.00 C ATOM 1555 CG LEU A 99 72.557 42.496 -17.882 1.00 0.00 C ATOM 1556 CD1 LEU A 99 73.180 41.937 -16.612 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.291 43.751 -18.331 1.00 0.00 C ATOM 0 H LEU A 99 73.742 39.280 -18.958 1.00 0.00 H new ATOM 0 HA LEU A 99 71.405 40.194 -17.683 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.601 41.217 -19.242 1.00 0.00 H new ATOM 0 HB3 LEU A 99 72.111 41.880 -19.882 1.00 0.00 H new ATOM 0 HG LEU A 99 71.522 42.762 -17.668 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.166 42.700 -15.833 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.612 41.068 -16.280 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.210 41.642 -16.812 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.275 44.488 -17.529 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.324 43.501 -18.574 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.801 44.164 -19.213 1.00 0.00 H new ATOM 1569 N SER A 100 71.024 39.115 -20.721 1.00 0.00 N ATOM 1570 CA SER A 100 70.043 38.814 -21.758 1.00 0.00 C ATOM 1571 C SER A 100 69.194 37.608 -21.368 1.00 0.00 C ATOM 1572 O SER A 100 68.051 37.473 -21.805 1.00 0.00 O ATOM 1573 CB SER A 100 70.745 38.548 -23.091 1.00 0.00 C ATOM 1574 OG SER A 100 70.105 37.503 -23.804 1.00 0.00 O ATOM 0 H SER A 100 71.935 38.679 -20.862 1.00 0.00 H new ATOM 0 HA SER A 100 69.388 39.678 -21.866 1.00 0.00 H new ATOM 0 HB2 SER A 100 70.745 39.457 -23.693 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.787 38.285 -22.911 1.00 0.00 H new ATOM 0 HG SER A 100 70.571 37.353 -24.653 1.00 0.00 H new ATOM 1580 N TYR A 101 69.761 36.735 -20.543 1.00 0.00 N ATOM 1581 CA TYR A 101 69.058 35.539 -20.095 1.00 0.00 C ATOM 1582 C TYR A 101 67.798 35.907 -19.317 1.00 0.00 C ATOM 1583 O TYR A 101 66.752 35.275 -19.471 1.00 0.00 O ATOM 1584 CB TYR A 101 69.975 34.679 -19.224 1.00 0.00 C ATOM 1585 CG TYR A 101 69.270 33.511 -18.571 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.065 32.324 -19.262 1.00 0.00 C ATOM 1587 CD2 TYR A 101 68.810 33.596 -17.262 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.421 31.255 -18.669 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.166 32.532 -16.661 1.00 0.00 C ATOM 1590 CZ TYR A 101 67.974 31.364 -17.369 1.00 0.00 C ATOM 1591 OH TYR A 101 67.333 30.301 -16.775 1.00 0.00 O ATOM 0 H TYR A 101 70.706 36.833 -20.171 1.00 0.00 H new ATOM 0 HA TYR A 101 68.766 34.969 -20.977 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.794 34.302 -19.836 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.418 35.305 -18.449 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.415 32.235 -20.280 1.00 0.00 H new ATOM 0 HD2 TYR A 101 68.959 34.510 -16.705 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.269 30.339 -19.221 1.00 0.00 H new ATOM 0 HE2 TYR A 101 67.815 32.614 -15.643 1.00 0.00 H new ATOM 0 HH TYR A 101 67.083 30.541 -15.858 1.00 0.00 H new ATOM 1601 N LEU A 102 67.905 36.933 -18.481 1.00 0.00 N ATOM 1602 CA LEU A 102 66.775 37.388 -17.678 1.00 0.00 C ATOM 1603 C LEU A 102 65.549 37.632 -18.552 1.00 0.00 C ATOM 1604 O LEU A 102 64.426 37.307 -18.168 1.00 0.00 O ATOM 1605 CB LEU A 102 67.141 38.668 -16.925 1.00 0.00 C ATOM 1606 CG LEU A 102 68.334 38.569 -15.973 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.654 39.930 -15.375 1.00 0.00 C ATOM 1608 CD2 LEU A 102 68.056 37.553 -14.874 1.00 0.00 C ATOM 0 H LEU A 102 68.763 37.466 -18.341 1.00 0.00 H new ATOM 0 HA LEU A 102 66.535 36.606 -16.958 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.349 39.449 -17.656 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.271 38.991 -16.353 1.00 0.00 H new ATOM 0 HG LEU A 102 69.201 38.232 -16.541 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.505 39.840 -14.700 1.00 0.00 H new ATOM 0 HD12 LEU A 102 68.897 40.631 -16.174 1.00 0.00 H new ATOM 0 HD13 LEU A 102 67.790 40.296 -14.821 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.915 37.495 -14.206 1.00 0.00 H new ATOM 0 HD22 LEU A 102 67.176 37.860 -14.308 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.877 36.575 -15.320 1.00 0.00 H new