USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 455 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 84 THR OG1 : rot -35:sc= 0.0696 USER MOD Set 1.2: A 86 ASN : amide:sc= 0.214 K(o=0.28,f=-1.5!) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 77 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Set 3.1: A 56 ASN : amide:sc= 0.36 K(o=0.36,f=-3.9!) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.93) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0.899 (180deg=0.88) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 54 ASN : amide:sc= 0.874 K(o=0.87,f=0) USER MOD Single : A 61 SER OG : rot -63:sc= 1.21 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.456 X(o=0.46,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 168:sc= -0.142 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0.832 K(o=0.83,f=-0.0037) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -8.977 -5.963 2.746 1.00 0.00 N ATOM 624 CA LEU A 35 -8.597 -5.917 1.332 1.00 0.00 C ATOM 625 C LEU A 35 -9.636 -6.549 0.376 1.00 0.00 C ATOM 626 O LEU A 35 -9.507 -7.695 -0.059 1.00 0.00 O ATOM 627 CB LEU A 35 -7.153 -6.454 1.188 1.00 0.00 C ATOM 628 CG LEU A 35 -6.279 -5.582 0.273 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.694 -4.381 1.032 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.143 -6.432 -0.283 1.00 0.00 C ATOM 0 HA LEU A 35 -8.600 -4.880 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.692 -6.512 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.186 -7.469 0.791 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.901 -5.199 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.081 -3.786 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.506 -3.767 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.079 -4.737 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.517 -5.822 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.542 -6.819 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.556 -7.264 -0.853 1.00 0.00 H new ATOM 642 N SER A 36 -10.668 -5.774 0.027 1.00 0.00 N ATOM 643 CA SER A 36 -11.830 -6.233 -0.758 1.00 0.00 C ATOM 644 C SER A 36 -11.524 -6.368 -2.249 1.00 0.00 C ATOM 645 O SER A 36 -11.269 -7.465 -2.745 1.00 0.00 O ATOM 646 CB SER A 36 -13.062 -5.370 -0.446 1.00 0.00 C ATOM 647 OG SER A 36 -14.196 -5.846 -1.152 1.00 0.00 O ATOM 0 H SER A 36 -10.725 -4.789 0.285 1.00 0.00 H new ATOM 0 HA SER A 36 -12.071 -7.249 -0.446 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.261 -5.385 0.626 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.865 -4.333 -0.719 1.00 0.00 H new ATOM 0 HG SER A 36 -14.972 -5.286 -0.940 1.00 0.00 H new ATOM 653 N GLU A 37 -11.525 -5.252 -2.973 1.00 0.00 N ATOM 654 CA GLU A 37 -11.445 -5.235 -4.436 1.00 0.00 C ATOM 655 C GLU A 37 -10.943 -3.888 -4.951 1.00 0.00 C ATOM 656 O GLU A 37 -10.026 -3.829 -5.763 1.00 0.00 O ATOM 657 CB GLU A 37 -12.856 -5.547 -4.977 1.00 0.00 C ATOM 658 CG GLU A 37 -12.861 -6.714 -5.964 1.00 0.00 C ATOM 659 CD GLU A 37 -12.204 -6.358 -7.312 1.00 0.00 C ATOM 660 OE1 GLU A 37 -12.833 -5.634 -8.121 1.00 0.00 O ATOM 661 OE2 GLU A 37 -11.067 -6.814 -7.577 1.00 0.00 O ATOM 0 H GLU A 37 -11.582 -4.322 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.730 -5.981 -4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.518 -5.778 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.258 -4.660 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.336 -7.561 -5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.889 -7.032 -6.139 1.00 0.00 H new ATOM 668 N GLU A 38 -11.462 -2.795 -4.392 1.00 0.00 N ATOM 669 CA GLU A 38 -10.955 -1.443 -4.657 1.00 0.00 C ATOM 670 C GLU A 38 -9.593 -1.218 -3.973 1.00 0.00 C ATOM 671 O GLU A 38 -8.759 -0.470 -4.473 1.00 0.00 O ATOM 672 CB GLU A 38 -12.020 -0.432 -4.200 1.00 0.00 C ATOM 673 CG GLU A 38 -11.664 1.024 -4.526 1.00 0.00 C ATOM 674 CD GLU A 38 -12.837 1.963 -4.185 1.00 0.00 C ATOM 675 OE1 GLU A 38 -13.001 2.327 -2.995 1.00 0.00 O ATOM 676 OE2 GLU A 38 -13.605 2.344 -5.103 1.00 0.00 O ATOM 0 H GLU A 38 -12.247 -2.819 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.777 -1.307 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.970 -0.679 -4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.164 -0.530 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.779 1.321 -3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.415 1.114 -5.583 1.00 0.00 H new ATOM 683 N GLN A 39 -9.339 -1.911 -2.856 1.00 0.00 N ATOM 684 CA GLN A 39 -8.182 -1.684 -1.984 1.00 0.00 C ATOM 685 C GLN A 39 -6.870 -2.177 -2.624 1.00 0.00 C ATOM 686 O GLN A 39 -5.900 -1.432 -2.758 1.00 0.00 O ATOM 687 CB GLN A 39 -8.457 -2.334 -0.612 1.00 0.00 C ATOM 688 CG GLN A 39 -9.765 -1.876 0.067 1.00 0.00 C ATOM 689 CD GLN A 39 -9.930 -0.355 0.109 1.00 0.00 C ATOM 690 OE1 GLN A 39 -9.211 0.359 0.787 1.00 0.00 O ATOM 691 NE2 GLN A 39 -10.864 0.206 -0.629 1.00 0.00 N ATOM 0 H GLN A 39 -9.946 -2.662 -2.527 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.044 -0.613 -1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.488 -3.416 -0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.622 -2.114 0.053 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.612 -2.311 -0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.792 -2.265 1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.476 -0.373 -1.204 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.976 1.220 -0.626 1.00 0.00 H new ATOM 700 N LYS A 40 -6.845 -3.412 -3.128 1.00 0.00 N ATOM 701 CA LYS A 40 -5.704 -3.929 -3.911 1.00 0.00 C ATOM 702 C LYS A 40 -5.499 -3.200 -5.250 1.00 0.00 C ATOM 703 O LYS A 40 -4.356 -3.069 -5.684 1.00 0.00 O ATOM 704 CB LYS A 40 -5.809 -5.454 -4.040 1.00 0.00 C ATOM 705 CG LYS A 40 -7.055 -5.919 -4.810 1.00 0.00 C ATOM 706 CD LYS A 40 -7.543 -7.311 -4.371 1.00 0.00 C ATOM 707 CE LYS A 40 -8.039 -7.346 -2.910 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.642 -8.660 -2.569 1.00 0.00 N ATOM 0 H LYS A 40 -7.604 -4.083 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.789 -3.709 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.919 -5.830 -4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.822 -5.895 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.857 -5.195 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.831 -5.937 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.350 -7.631 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.731 -8.028 -4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.206 -7.142 -2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.774 -6.556 -2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.085 -8.605 -1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.363 -8.906 -3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.901 -9.390 -2.561 1.00 0.00 H new ATOM 722 N LYS A 41 -6.550 -2.600 -5.832 1.00 0.00 N ATOM 723 CA LYS A 41 -6.439 -1.649 -6.969 1.00 0.00 C ATOM 724 C LYS A 41 -5.747 -0.317 -6.630 1.00 0.00 C ATOM 725 O LYS A 41 -5.477 0.470 -7.537 1.00 0.00 O ATOM 726 CB LYS A 41 -7.810 -1.398 -7.623 1.00 0.00 C ATOM 727 CG LYS A 41 -8.362 -2.658 -8.292 1.00 0.00 C ATOM 728 CD LYS A 41 -9.786 -2.419 -8.821 1.00 0.00 C ATOM 729 CE LYS A 41 -10.464 -3.719 -9.267 1.00 0.00 C ATOM 730 NZ LYS A 41 -9.850 -4.302 -10.487 1.00 0.00 N ATOM 0 H LYS A 41 -7.512 -2.757 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.782 -2.145 -7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.514 -1.050 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.719 -0.604 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.709 -2.954 -9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.368 -3.481 -7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.386 -1.947 -8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.748 -1.725 -9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.412 -4.446 -8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.520 -3.526 -9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.349 -5.178 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.922 -3.622 -11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.848 -4.514 -10.304 1.00 0.00 H new ATOM 744 N ILE A 42 -5.415 -0.078 -5.360 1.00 0.00 N ATOM 745 CA ILE A 42 -4.524 1.001 -4.907 1.00 0.00 C ATOM 746 C ILE A 42 -3.121 0.443 -4.629 1.00 0.00 C ATOM 747 O ILE A 42 -2.153 0.949 -5.191 1.00 0.00 O ATOM 748 CB ILE A 42 -5.162 1.717 -3.696 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.435 2.476 -4.144 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.209 2.664 -2.943 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.583 2.291 -3.151 1.00 0.00 C ATOM 0 H ILE A 42 -5.768 -0.647 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.399 1.753 -5.687 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.418 0.934 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.209 3.537 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.743 2.121 -5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.738 3.124 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.357 2.098 -2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.856 3.441 -3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.458 2.839 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.826 1.232 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.284 2.671 -2.174 1.00 0.00 H new ATOM 763 N VAL A 43 -2.988 -0.613 -3.814 1.00 0.00 N ATOM 764 CA VAL A 43 -1.664 -1.081 -3.348 1.00 0.00 C ATOM 765 C VAL A 43 -0.910 -1.920 -4.383 1.00 0.00 C ATOM 766 O VAL A 43 0.243 -1.613 -4.692 1.00 0.00 O ATOM 767 CB VAL A 43 -1.740 -1.829 -2.003 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.318 -2.142 -1.508 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.452 -0.982 -0.944 1.00 0.00 C ATOM 0 H VAL A 43 -3.774 -1.160 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.089 -0.167 -3.198 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.302 -2.750 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.372 -2.671 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.194 -2.765 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.234 -1.212 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.492 -1.533 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.906 -0.051 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.465 -0.759 -1.278 1.00 0.00 H new ATOM 779 N ALA A 44 -1.531 -2.958 -4.952 1.00 0.00 N ATOM 780 CA ALA A 44 -0.877 -3.792 -5.965 1.00 0.00 C ATOM 781 C ALA A 44 -0.636 -2.996 -7.262 1.00 0.00 C ATOM 782 O ALA A 44 0.398 -3.153 -7.913 1.00 0.00 O ATOM 783 CB ALA A 44 -1.708 -5.057 -6.197 1.00 0.00 C ATOM 0 H ALA A 44 -2.485 -3.241 -4.728 1.00 0.00 H new ATOM 0 HA ALA A 44 0.106 -4.098 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.223 -5.678 -6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.790 -5.615 -5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.704 -4.780 -6.542 1.00 0.00 H new ATOM 789 N ASP A 45 -1.538 -2.061 -7.578 1.00 0.00 N ATOM 790 CA ASP A 45 -1.325 -1.051 -8.624 1.00 0.00 C ATOM 791 C ASP A 45 -0.085 -0.160 -8.371 1.00 0.00 C ATOM 792 O ASP A 45 0.642 0.150 -9.315 1.00 0.00 O ATOM 793 CB ASP A 45 -2.592 -0.201 -8.750 1.00 0.00 C ATOM 794 CG ASP A 45 -2.511 0.781 -9.930 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.330 2.001 -9.698 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.642 0.334 -11.095 1.00 0.00 O ATOM 0 H ASP A 45 -2.443 -1.982 -7.113 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.123 -1.574 -9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.455 -0.854 -8.880 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.749 0.355 -7.826 1.00 0.00 H new ATOM 801 N TYR A 46 0.222 0.194 -7.114 1.00 0.00 N ATOM 802 CA TYR A 46 1.429 0.961 -6.760 1.00 0.00 C ATOM 803 C TYR A 46 2.710 0.112 -6.905 1.00 0.00 C ATOM 804 O TYR A 46 3.715 0.562 -7.462 1.00 0.00 O ATOM 805 CB TYR A 46 1.285 1.543 -5.336 1.00 0.00 C ATOM 806 CG TYR A 46 1.926 2.903 -5.088 1.00 0.00 C ATOM 807 CD1 TYR A 46 1.418 3.740 -4.075 1.00 0.00 C ATOM 808 CD2 TYR A 46 3.012 3.347 -5.861 1.00 0.00 C ATOM 809 CE1 TYR A 46 1.977 5.016 -3.847 1.00 0.00 C ATOM 810 CE2 TYR A 46 3.567 4.620 -5.665 1.00 0.00 C ATOM 811 CZ TYR A 46 3.049 5.465 -4.657 1.00 0.00 C ATOM 812 OH TYR A 46 3.607 6.688 -4.447 1.00 0.00 O ATOM 0 H TYR A 46 -0.361 -0.044 -6.311 1.00 0.00 H new ATOM 0 HA TYR A 46 1.528 1.790 -7.461 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.223 1.620 -5.105 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.714 0.830 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.592 3.402 -3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.426 2.698 -6.618 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.590 5.646 -3.060 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.388 4.954 -6.282 1.00 0.00 H new ATOM 0 HH TYR A 46 4.330 6.833 -5.092 1.00 0.00 H new ATOM 822 N ILE A 47 2.664 -1.159 -6.497 1.00 0.00 N ATOM 823 CA ILE A 47 3.750 -2.132 -6.723 1.00 0.00 C ATOM 824 C ILE A 47 4.019 -2.325 -8.229 1.00 0.00 C ATOM 825 O ILE A 47 5.168 -2.484 -8.644 1.00 0.00 O ATOM 826 CB ILE A 47 3.423 -3.435 -5.946 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.928 -3.417 -4.483 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.992 -4.707 -6.589 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.769 -2.088 -3.743 1.00 0.00 C ATOM 0 H ILE A 47 1.867 -1.551 -5.995 1.00 0.00 H new ATOM 0 HA ILE A 47 4.695 -1.758 -6.328 1.00 0.00 H new ATOM 0 HB ILE A 47 2.334 -3.462 -5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.397 -4.188 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.983 -3.690 -4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.720 -5.573 -5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.583 -4.821 -7.593 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.078 -4.632 -6.646 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.155 -2.188 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.325 -1.311 -4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.714 -1.817 -3.705 1.00 0.00 H new ATOM 841 N SER A 48 2.986 -2.190 -9.066 1.00 0.00 N ATOM 842 CA SER A 48 3.108 -2.169 -10.530 1.00 0.00 C ATOM 843 C SER A 48 3.722 -0.871 -11.095 1.00 0.00 C ATOM 844 O SER A 48 4.175 -0.861 -12.243 1.00 0.00 O ATOM 845 CB SER A 48 1.725 -2.411 -11.151 1.00 0.00 C ATOM 846 OG SER A 48 1.841 -2.964 -12.453 1.00 0.00 O ATOM 0 H SER A 48 2.024 -2.090 -8.741 1.00 0.00 H new ATOM 0 HA SER A 48 3.804 -2.964 -10.798 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.150 -3.085 -10.516 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.175 -1.471 -11.199 1.00 0.00 H new ATOM 0 HG SER A 48 0.947 -3.111 -12.827 1.00 0.00 H new ATOM 852 N GLU A 49 3.769 0.230 -10.330 1.00 0.00 N ATOM 853 CA GLU A 49 4.147 1.558 -10.829 1.00 0.00 C ATOM 854 C GLU A 49 5.588 1.946 -10.449 1.00 0.00 C ATOM 855 O GLU A 49 6.318 2.473 -11.292 1.00 0.00 O ATOM 856 CB GLU A 49 3.117 2.574 -10.305 1.00 0.00 C ATOM 857 CG GLU A 49 3.220 3.971 -10.931 1.00 0.00 C ATOM 858 CD GLU A 49 2.805 3.981 -12.416 1.00 0.00 C ATOM 859 OE1 GLU A 49 3.685 3.863 -13.303 1.00 0.00 O ATOM 860 OE2 GLU A 49 1.594 4.124 -12.713 1.00 0.00 O ATOM 0 H GLU A 49 3.543 0.222 -9.335 1.00 0.00 H new ATOM 0 HA GLU A 49 4.137 1.549 -11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.116 2.182 -10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.233 2.665 -9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.587 4.663 -10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.244 4.332 -10.840 1.00 0.00 H new ATOM 867 N VAL A 50 6.015 1.679 -9.203 1.00 0.00 N ATOM 868 CA VAL A 50 7.309 2.155 -8.663 1.00 0.00 C ATOM 869 C VAL A 50 8.154 1.066 -7.981 1.00 0.00 C ATOM 870 O VAL A 50 9.335 1.291 -7.715 1.00 0.00 O ATOM 871 CB VAL A 50 7.106 3.377 -7.739 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.222 4.463 -8.365 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.546 2.976 -6.377 1.00 0.00 C ATOM 0 H VAL A 50 5.475 1.126 -8.537 1.00 0.00 H new ATOM 0 HA VAL A 50 7.893 2.461 -9.531 1.00 0.00 H new ATOM 0 HB VAL A 50 8.101 3.800 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.118 5.294 -7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.681 4.819 -9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.238 4.049 -8.586 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.419 3.865 -5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.582 2.486 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.237 2.290 -5.887 1.00 0.00 H new ATOM 883 N GLY A 51 7.586 -0.109 -7.693 1.00 0.00 N ATOM 884 CA GLY A 51 8.305 -1.327 -7.297 1.00 0.00 C ATOM 885 C GLY A 51 7.756 -1.940 -6.014 1.00 0.00 C ATOM 886 O GLY A 51 6.967 -2.881 -6.041 1.00 0.00 O ATOM 0 H GLY A 51 6.576 -0.245 -7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.242 -2.060 -8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.361 -1.093 -7.161 1.00 0.00 H new ATOM 890 N LEU A 52 8.209 -1.394 -4.888 1.00 0.00 N ATOM 891 CA LEU A 52 7.857 -1.805 -3.516 1.00 0.00 C ATOM 892 C LEU A 52 8.321 -0.771 -2.477 1.00 0.00 C ATOM 893 O LEU A 52 7.659 -0.535 -1.470 1.00 0.00 O ATOM 894 CB LEU A 52 8.540 -3.166 -3.228 1.00 0.00 C ATOM 895 CG LEU A 52 8.321 -3.728 -1.808 1.00 0.00 C ATOM 896 CD1 LEU A 52 6.842 -3.976 -1.524 1.00 0.00 C ATOM 897 CD2 LEU A 52 9.069 -5.052 -1.646 1.00 0.00 C ATOM 0 H LEU A 52 8.865 -0.613 -4.900 1.00 0.00 H new ATOM 0 HA LEU A 52 6.773 -1.886 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.175 -3.897 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.611 -3.059 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 52 8.699 -2.985 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.727 -4.372 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.293 -3.039 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.449 -4.695 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.908 -5.440 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.698 -5.771 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.135 -4.890 -1.806 1.00 0.00 H new ATOM 909 N ASN A 53 9.484 -0.172 -2.740 1.00 0.00 N ATOM 910 CA ASN A 53 10.251 0.643 -1.788 1.00 0.00 C ATOM 911 C ASN A 53 10.323 2.144 -2.138 1.00 0.00 C ATOM 912 O ASN A 53 10.749 2.950 -1.309 1.00 0.00 O ATOM 913 CB ASN A 53 11.635 -0.010 -1.609 1.00 0.00 C ATOM 914 CG ASN A 53 12.555 0.160 -2.808 1.00 0.00 C ATOM 915 OD1 ASN A 53 13.184 1.188 -3.001 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.649 -0.834 -3.665 1.00 0.00 N ATOM 0 H ASN A 53 9.936 -0.242 -3.652 1.00 0.00 H new ATOM 0 HA ASN A 53 9.720 0.650 -0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.117 0.418 -0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.502 -1.074 -1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.246 -0.744 -4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.125 -1.695 -3.507 1.00 0.00 H new ATOM 923 N ASN A 54 9.881 2.525 -3.342 1.00 0.00 N ATOM 924 CA ASN A 54 9.869 3.919 -3.815 1.00 0.00 C ATOM 925 C ASN A 54 8.525 4.632 -3.549 1.00 0.00 C ATOM 926 O ASN A 54 8.447 5.860 -3.624 1.00 0.00 O ATOM 927 CB ASN A 54 10.242 3.941 -5.307 1.00 0.00 C ATOM 928 CG ASN A 54 11.587 3.294 -5.584 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.639 3.808 -5.227 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.593 2.138 -6.209 1.00 0.00 N ATOM 0 H ASN A 54 9.515 1.865 -4.028 1.00 0.00 H new ATOM 0 HA ASN A 54 10.609 4.482 -3.246 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.470 3.424 -5.878 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.261 4.973 -5.657 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.477 1.665 -6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.714 1.713 -6.505 1.00 0.00 H new ATOM 937 N LEU A 55 7.471 3.866 -3.239 1.00 0.00 N ATOM 938 CA LEU A 55 6.135 4.364 -2.896 1.00 0.00 C ATOM 939 C LEU A 55 6.065 5.030 -1.514 1.00 0.00 C ATOM 940 O LEU A 55 6.948 4.854 -0.670 1.00 0.00 O ATOM 941 CB LEU A 55 5.125 3.213 -3.038 1.00 0.00 C ATOM 942 CG LEU A 55 5.341 2.016 -2.098 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.528 2.132 -0.814 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.889 0.749 -2.810 1.00 0.00 C ATOM 0 H LEU A 55 7.528 2.848 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 55 5.881 5.161 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.124 3.609 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.154 2.853 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 55 6.400 1.992 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.716 1.262 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.819 3.036 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.467 2.181 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.037 -0.109 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.833 0.833 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.473 0.615 -3.720 1.00 0.00 H new ATOM 956 N ASN A 56 4.980 5.768 -1.278 1.00 0.00 N ATOM 957 CA ASN A 56 4.723 6.492 -0.037 1.00 0.00 C ATOM 958 C ASN A 56 3.571 5.857 0.762 1.00 0.00 C ATOM 959 O ASN A 56 2.421 5.845 0.318 1.00 0.00 O ATOM 960 CB ASN A 56 4.460 7.960 -0.402 1.00 0.00 C ATOM 961 CG ASN A 56 4.287 8.867 0.802 1.00 0.00 C ATOM 962 OD1 ASN A 56 4.415 8.470 1.951 1.00 0.00 O ATOM 963 ND2 ASN A 56 3.970 10.117 0.570 1.00 0.00 N ATOM 0 H ASN A 56 4.235 5.881 -1.966 1.00 0.00 H new ATOM 0 HA ASN A 56 5.588 6.437 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.288 8.329 -1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.564 8.016 -1.020 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.830 10.761 1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.864 10.447 -0.389 1.00 0.00 H new ATOM 970 N ALA A 57 3.867 5.394 1.978 1.00 0.00 N ATOM 971 CA ALA A 57 2.892 4.825 2.913 1.00 0.00 C ATOM 972 C ALA A 57 1.807 5.832 3.356 1.00 0.00 C ATOM 973 O ALA A 57 0.697 5.434 3.714 1.00 0.00 O ATOM 974 CB ALA A 57 3.690 4.298 4.109 1.00 0.00 C ATOM 0 H ALA A 57 4.817 5.404 2.350 1.00 0.00 H new ATOM 0 HA ALA A 57 2.337 4.027 2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.007 3.862 4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.393 3.537 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.238 5.119 4.571 1.00 0.00 H new ATOM 980 N THR A 58 2.088 7.138 3.286 1.00 0.00 N ATOM 981 CA THR A 58 1.099 8.197 3.546 1.00 0.00 C ATOM 982 C THR A 58 0.036 8.257 2.444 1.00 0.00 C ATOM 983 O THR A 58 -1.150 8.341 2.751 1.00 0.00 O ATOM 984 CB THR A 58 1.789 9.558 3.729 1.00 0.00 C ATOM 985 OG1 THR A 58 2.696 9.488 4.812 1.00 0.00 O ATOM 986 CG2 THR A 58 0.807 10.688 4.033 1.00 0.00 C ATOM 0 H THR A 58 3.013 7.495 3.046 1.00 0.00 H new ATOM 0 HA THR A 58 0.587 7.951 4.476 1.00 0.00 H new ATOM 0 HB THR A 58 2.291 9.776 2.786 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.136 10.356 4.926 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.354 11.623 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.097 10.784 3.211 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.268 10.464 4.953 1.00 0.00 H new ATOM 994 N GLU A 59 0.404 8.122 1.167 1.00 0.00 N ATOM 995 CA GLU A 59 -0.565 8.011 0.061 1.00 0.00 C ATOM 996 C GLU A 59 -1.462 6.771 0.212 1.00 0.00 C ATOM 997 O GLU A 59 -2.681 6.879 0.054 1.00 0.00 O ATOM 998 CB GLU A 59 0.149 7.990 -1.300 1.00 0.00 C ATOM 999 CG GLU A 59 0.894 9.288 -1.638 1.00 0.00 C ATOM 1000 CD GLU A 59 -0.070 10.473 -1.850 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.291 11.257 -0.897 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.606 10.630 -2.974 1.00 0.00 O ATOM 0 H GLU A 59 1.378 8.086 0.866 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.203 8.894 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.859 7.163 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.586 7.792 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.589 9.526 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.489 9.140 -2.539 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.904 5.622 0.618 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.703 4.453 1.023 1.00 0.00 C ATOM 1011 C LEU A 60 -2.676 4.794 2.166 1.00 0.00 C ATOM 1012 O LEU A 60 -3.857 4.487 2.064 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.809 3.266 1.436 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.314 2.383 0.279 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.740 3.067 -0.585 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.305 1.108 0.855 1.00 0.00 C ATOM 0 H LEU A 60 0.104 5.475 0.675 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.285 4.161 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.057 3.654 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.363 2.641 2.137 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.179 2.171 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.049 2.393 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.322 3.975 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.604 3.322 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.659 0.475 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.143 1.370 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.445 0.569 1.434 1.00 0.00 H new ATOM 1028 N SER A 61 -2.245 5.489 3.221 1.00 0.00 N ATOM 1029 CA SER A 61 -3.120 5.877 4.344 1.00 0.00 C ATOM 1030 C SER A 61 -4.300 6.776 3.933 1.00 0.00 C ATOM 1031 O SER A 61 -5.333 6.795 4.606 1.00 0.00 O ATOM 1032 CB SER A 61 -2.293 6.534 5.457 1.00 0.00 C ATOM 1033 OG SER A 61 -2.037 7.907 5.221 1.00 0.00 O ATOM 0 H SER A 61 -1.280 5.802 3.327 1.00 0.00 H new ATOM 0 HA SER A 61 -3.569 4.956 4.716 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.820 6.426 6.405 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.345 6.006 5.557 1.00 0.00 H new ATOM 0 HG SER A 61 -1.496 8.004 4.410 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.167 7.467 2.794 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.124 8.454 2.259 1.00 0.00 C ATOM 1041 C LYS A 62 -6.097 7.827 1.257 1.00 0.00 C ATOM 1042 O LYS A 62 -7.300 8.083 1.324 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.345 9.625 1.629 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.630 10.494 2.681 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.516 11.365 2.075 1.00 0.00 C ATOM 1046 CE LYS A 62 -2.996 12.380 1.025 1.00 0.00 C ATOM 1047 NZ LYS A 62 -3.811 13.472 1.623 1.00 0.00 N ATOM 0 H LYS A 62 -3.353 7.351 2.190 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.733 8.828 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.610 9.232 0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.032 10.247 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.361 11.136 3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.204 9.849 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.016 11.904 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.772 10.713 1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.132 12.811 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.585 11.864 0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.111 14.130 0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.650 13.066 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.242 13.984 2.327 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.589 6.974 0.360 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.373 6.222 -0.640 1.00 0.00 C ATOM 1063 C ARG A 63 -7.065 4.987 -0.048 1.00 0.00 C ATOM 1064 O ARG A 63 -8.195 4.680 -0.425 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.437 5.803 -1.788 1.00 0.00 C ATOM 1066 CG ARG A 63 -4.897 6.952 -2.656 1.00 0.00 C ATOM 1067 CD ARG A 63 -5.983 7.577 -3.543 1.00 0.00 C ATOM 1068 NE ARG A 63 -5.412 8.540 -4.507 1.00 0.00 N ATOM 1069 CZ ARG A 63 -4.871 8.273 -5.685 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -4.416 9.236 -6.434 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -4.767 7.058 -6.148 1.00 0.00 N ATOM 0 H ARG A 63 -4.589 6.778 0.304 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.165 6.876 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.591 5.262 -1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.971 5.105 -2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.471 7.721 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.088 6.579 -3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.510 6.790 -4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.719 8.081 -2.917 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.438 9.522 -4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.475 10.203 -6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.000 9.024 -7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.109 6.271 -5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.343 6.895 -7.061 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.396 4.293 0.877 1.00 0.00 N ATOM 1086 CA LEU A 64 -6.812 3.009 1.462 1.00 0.00 C ATOM 1087 C LEU A 64 -7.493 3.151 2.839 1.00 0.00 C ATOM 1088 O LEU A 64 -8.086 2.192 3.334 1.00 0.00 O ATOM 1089 CB LEU A 64 -5.565 2.106 1.556 1.00 0.00 C ATOM 1090 CG LEU A 64 -5.828 0.614 1.326 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -5.930 0.360 -0.171 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -4.672 -0.225 1.862 1.00 0.00 C ATOM 0 H LEU A 64 -5.509 4.623 1.258 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.569 2.567 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.832 2.447 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.116 2.233 2.541 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.749 0.340 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.117 -0.699 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.749 0.948 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.996 0.649 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.878 -1.281 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.752 0.054 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.559 -0.048 2.932 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.417 4.338 3.460 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.073 4.670 4.735 1.00 0.00 C ATOM 1106 C ASN A 65 -7.633 3.738 5.893 1.00 0.00 C ATOM 1107 O ASN A 65 -8.443 3.093 6.564 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.596 4.799 4.507 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.308 5.590 5.596 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.701 6.733 5.412 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.501 5.018 6.762 1.00 0.00 N ATOM 0 H ASN A 65 -6.881 5.117 3.078 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.737 5.646 5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.772 5.281 3.545 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.032 3.802 4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.976 5.527 7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.176 4.065 6.922 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.317 3.684 6.110 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.626 2.970 7.201 1.00 0.00 C ATOM 1120 C ILE A 66 -4.754 3.932 8.011 1.00 0.00 C ATOM 1121 O ILE A 66 -4.395 5.017 7.552 1.00 0.00 O ATOM 1122 CB ILE A 66 -4.749 1.799 6.680 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -3.912 2.212 5.451 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -5.605 0.549 6.446 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -2.927 1.159 4.947 1.00 0.00 C ATOM 0 H ILE A 66 -5.660 4.165 5.495 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.405 2.551 7.839 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.021 1.541 7.449 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.592 2.468 4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.356 3.117 5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.974 -0.261 6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.075 0.249 7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.376 0.769 5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.390 1.548 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.216 0.918 5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.471 0.259 4.661 1.00 0.00 H new ATOM 1137 N THR A 67 -4.347 3.494 9.200 1.00 0.00 N ATOM 1138 CA THR A 67 -3.246 4.078 9.973 1.00 0.00 C ATOM 1139 C THR A 67 -1.945 4.053 9.155 1.00 0.00 C ATOM 1140 O THR A 67 -1.640 3.051 8.504 1.00 0.00 O ATOM 1141 CB THR A 67 -3.109 3.265 11.272 1.00 0.00 C ATOM 1142 OG1 THR A 67 -4.283 3.414 12.043 1.00 0.00 O ATOM 1143 CG2 THR A 67 -1.931 3.672 12.140 1.00 0.00 C ATOM 0 H THR A 67 -4.784 2.701 9.668 1.00 0.00 H new ATOM 0 HA THR A 67 -3.451 5.122 10.211 1.00 0.00 H new ATOM 0 HB THR A 67 -2.944 2.234 10.960 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.199 2.896 12.870 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.907 3.050 13.035 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.005 3.540 11.581 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.035 4.718 12.427 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.134 5.117 9.208 1.00 0.00 N ATOM 1152 CA VAL A 68 0.140 5.205 8.453 1.00 0.00 C ATOM 1153 C VAL A 68 1.123 4.101 8.870 1.00 0.00 C ATOM 1154 O VAL A 68 1.841 3.543 8.043 1.00 0.00 O ATOM 1155 CB VAL A 68 0.810 6.589 8.623 1.00 0.00 C ATOM 1156 CG1 VAL A 68 1.937 6.791 7.602 1.00 0.00 C ATOM 1157 CG2 VAL A 68 -0.165 7.761 8.449 1.00 0.00 C ATOM 0 H VAL A 68 -1.334 5.943 9.771 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.113 5.067 7.402 1.00 0.00 H new ATOM 0 HB VAL A 68 1.193 6.588 9.643 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.388 7.773 7.747 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.695 6.020 7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.530 6.724 6.593 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.370 8.702 8.581 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.600 7.728 7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.959 7.687 9.192 1.00 0.00 H new ATOM 1167 N ASP A 69 1.104 3.714 10.144 1.00 0.00 N ATOM 1168 CA ASP A 69 1.929 2.618 10.666 1.00 0.00 C ATOM 1169 C ASP A 69 1.440 1.234 10.216 1.00 0.00 C ATOM 1170 O ASP A 69 2.266 0.361 9.936 1.00 0.00 O ATOM 1171 CB ASP A 69 2.020 2.728 12.194 1.00 0.00 C ATOM 1172 CG ASP A 69 2.999 1.700 12.787 1.00 0.00 C ATOM 1173 OD1 ASP A 69 4.229 1.873 12.619 1.00 0.00 O ATOM 1174 OD2 ASP A 69 2.540 0.734 13.443 1.00 0.00 O ATOM 0 H ASP A 69 0.513 4.153 10.850 1.00 0.00 H new ATOM 0 HA ASP A 69 2.929 2.719 10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.340 3.733 12.467 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.031 2.580 12.628 1.00 0.00 H new ATOM 1179 N LYS A 70 0.121 1.057 10.024 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.413 -0.125 9.337 1.00 0.00 C ATOM 1181 C LYS A 70 0.066 -0.170 7.895 1.00 0.00 C ATOM 1182 O LYS A 70 0.457 -1.240 7.451 1.00 0.00 O ATOM 1183 CB LYS A 70 -1.949 -0.212 9.398 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.456 -0.736 10.748 1.00 0.00 C ATOM 1185 CD LYS A 70 -3.975 -0.954 10.695 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.469 -1.602 11.993 1.00 0.00 C ATOM 1187 NZ LYS A 70 -5.929 -1.882 11.940 1.00 0.00 N ATOM 0 H LYS A 70 -0.591 1.718 10.335 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.028 -0.994 9.870 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.373 0.775 9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.304 -0.866 8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.955 -1.672 10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.210 -0.026 11.538 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.480 -0.000 10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.228 -1.588 9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.925 -2.530 12.167 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.254 -0.944 12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.231 -2.320 12.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.448 -0.992 11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.130 -2.530 11.152 1.00 0.00 H new ATOM 1201 N ALA A 71 0.132 0.964 7.197 1.00 0.00 N ATOM 1202 CA ALA A 71 0.609 1.008 5.810 1.00 0.00 C ATOM 1203 C ALA A 71 2.081 0.571 5.722 1.00 0.00 C ATOM 1204 O ALA A 71 2.409 -0.345 4.967 1.00 0.00 O ATOM 1205 CB ALA A 71 0.370 2.410 5.223 1.00 0.00 C ATOM 0 H ALA A 71 -0.141 1.873 7.571 1.00 0.00 H new ATOM 0 HA ALA A 71 0.042 0.298 5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.726 2.439 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.696 2.637 5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.911 3.149 5.814 1.00 0.00 H new ATOM 1211 N LYS A 72 2.945 1.151 6.566 1.00 0.00 N ATOM 1212 CA LYS A 72 4.391 0.843 6.601 1.00 0.00 C ATOM 1213 C LYS A 72 4.710 -0.623 6.922 1.00 0.00 C ATOM 1214 O LYS A 72 5.674 -1.153 6.368 1.00 0.00 O ATOM 1215 CB LYS A 72 5.117 1.796 7.575 1.00 0.00 C ATOM 1216 CG LYS A 72 5.774 3.006 6.877 1.00 0.00 C ATOM 1217 CD LYS A 72 5.188 4.358 7.308 1.00 0.00 C ATOM 1218 CE LYS A 72 5.441 4.727 8.779 1.00 0.00 C ATOM 1219 NZ LYS A 72 6.870 5.052 9.042 1.00 0.00 N ATOM 0 H LYS A 72 2.663 1.853 7.251 1.00 0.00 H new ATOM 0 HA LYS A 72 4.762 1.004 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.404 2.157 8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.882 1.238 8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.843 2.999 7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.661 2.898 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.607 5.139 6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.113 4.346 7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.821 5.582 9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.136 3.898 9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.992 5.294 10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.462 4.229 8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.156 5.860 8.454 1.00 0.00 H new ATOM 1233 N THR A 73 3.915 -1.299 7.760 1.00 0.00 N ATOM 1234 CA THR A 73 4.114 -2.740 8.037 1.00 0.00 C ATOM 1235 C THR A 73 3.413 -3.645 7.015 1.00 0.00 C ATOM 1236 O THR A 73 4.022 -4.594 6.517 1.00 0.00 O ATOM 1237 CB THR A 73 3.790 -3.090 9.501 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.337 -4.350 9.825 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.303 -3.118 9.847 1.00 0.00 C ATOM 0 H THR A 73 3.130 -0.881 8.259 1.00 0.00 H new ATOM 0 HA THR A 73 5.176 -2.947 7.907 1.00 0.00 H new ATOM 0 HB THR A 73 4.233 -2.283 10.085 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.129 -4.567 10.758 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.179 -3.374 10.899 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.867 -2.137 9.658 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.800 -3.863 9.231 1.00 0.00 H new ATOM 1247 N TYR A 74 2.190 -3.307 6.589 1.00 0.00 N ATOM 1248 CA TYR A 74 1.390 -4.078 5.626 1.00 0.00 C ATOM 1249 C TYR A 74 2.096 -4.268 4.271 1.00 0.00 C ATOM 1250 O TYR A 74 2.056 -5.367 3.710 1.00 0.00 O ATOM 1251 CB TYR A 74 0.028 -3.388 5.456 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.801 -3.955 4.332 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.905 -3.237 3.126 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.372 -5.237 4.449 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.488 -3.844 2.006 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.959 -5.843 3.326 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.959 -5.169 2.088 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.353 -5.819 0.965 1.00 0.00 O ATOM 0 H TYR A 74 1.715 -2.465 6.914 1.00 0.00 H new ATOM 0 HA TYR A 74 1.253 -5.084 6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.532 -3.473 6.387 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.189 -2.325 5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.537 -2.223 3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.359 -5.752 5.398 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.576 -3.296 1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.409 -6.821 3.411 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.463 -6.773 1.161 1.00 0.00 H new ATOM 1268 N ILE A 75 2.826 -3.246 3.799 1.00 0.00 N ATOM 1269 CA ILE A 75 3.704 -3.310 2.613 1.00 0.00 C ATOM 1270 C ILE A 75 4.638 -4.537 2.660 1.00 0.00 C ATOM 1271 O ILE A 75 4.829 -5.210 1.648 1.00 0.00 O ATOM 1272 CB ILE A 75 4.500 -1.980 2.504 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.578 -0.843 2.005 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.717 -2.089 1.566 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.120 0.563 2.327 1.00 0.00 C ATOM 0 H ILE A 75 2.824 -2.327 4.241 1.00 0.00 H new ATOM 0 HA ILE A 75 3.092 -3.432 1.720 1.00 0.00 H new ATOM 0 HB ILE A 75 4.870 -1.757 3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.447 -0.937 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.593 -0.958 2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.235 -1.130 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.397 -2.854 1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.382 -2.359 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.427 1.315 1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.225 0.674 3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.092 0.696 1.852 1.00 0.00 H new ATOM 1287 N LYS A 76 5.178 -4.872 3.839 1.00 0.00 N ATOM 1288 CA LYS A 76 6.059 -6.032 4.059 1.00 0.00 C ATOM 1289 C LYS A 76 5.311 -7.298 4.440 1.00 0.00 C ATOM 1290 O LYS A 76 5.748 -8.389 4.075 1.00 0.00 O ATOM 1291 CB LYS A 76 7.095 -5.686 5.142 1.00 0.00 C ATOM 1292 CG LYS A 76 8.132 -4.718 4.572 1.00 0.00 C ATOM 1293 CD LYS A 76 9.138 -4.205 5.611 1.00 0.00 C ATOM 1294 CE LYS A 76 8.471 -3.282 6.642 1.00 0.00 C ATOM 1295 NZ LYS A 76 9.467 -2.712 7.587 1.00 0.00 N ATOM 0 H LYS A 76 5.012 -4.332 4.688 1.00 0.00 H new ATOM 0 HA LYS A 76 6.551 -6.243 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.599 -5.238 6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.585 -6.594 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.676 -5.215 3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.615 -3.867 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.596 -5.051 6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.940 -3.667 5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.953 -2.473 6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.718 -3.840 7.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.984 -2.094 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.944 -3.484 8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.171 -2.159 7.058 1.00 0.00 H new ATOM 1309 N ASN A 77 4.191 -7.189 5.155 1.00 0.00 N ATOM 1310 CA ASN A 77 3.476 -8.380 5.608 1.00 0.00 C ATOM 1311 C ASN A 77 2.887 -9.180 4.427 1.00 0.00 C ATOM 1312 O ASN A 77 2.870 -10.412 4.462 1.00 0.00 O ATOM 1313 CB ASN A 77 2.369 -8.045 6.629 1.00 0.00 C ATOM 1314 CG ASN A 77 2.772 -7.192 7.823 1.00 0.00 C ATOM 1315 OD1 ASN A 77 2.043 -6.298 8.222 1.00 0.00 O ATOM 1316 ND2 ASN A 77 3.890 -7.448 8.466 1.00 0.00 N ATOM 0 H ASN A 77 3.766 -6.303 5.429 1.00 0.00 H new ATOM 0 HA ASN A 77 4.216 -9.004 6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.564 -7.533 6.102 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.958 -8.982 7.004 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.141 -6.902 9.290 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.506 -8.193 8.141 1.00 0.00 H new ATOM 1420 N THR A 84 10.427 -7.845 -6.488 1.00 0.00 N ATOM 1421 CA THR A 84 9.050 -7.928 -7.030 1.00 0.00 C ATOM 1422 C THR A 84 8.684 -9.323 -7.559 1.00 0.00 C ATOM 1423 O THR A 84 7.991 -9.473 -8.566 1.00 0.00 O ATOM 1424 CB THR A 84 8.798 -6.818 -8.069 1.00 0.00 C ATOM 1425 OG1 THR A 84 9.742 -6.874 -9.120 1.00 0.00 O ATOM 1426 CG2 THR A 84 8.922 -5.444 -7.410 1.00 0.00 C ATOM 0 HA THR A 84 8.373 -7.759 -6.192 1.00 0.00 H new ATOM 0 HB THR A 84 7.795 -6.971 -8.467 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.609 -7.162 -8.766 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.742 -4.667 -8.153 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.188 -5.357 -6.609 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.924 -5.327 -6.998 1.00 0.00 H new ATOM 1434 N ASN A 85 9.164 -10.368 -6.869 1.00 0.00 N ATOM 1435 CA ASN A 85 9.011 -11.790 -7.236 1.00 0.00 C ATOM 1436 C ASN A 85 9.655 -12.148 -8.601 1.00 0.00 C ATOM 1437 O ASN A 85 9.342 -13.169 -9.211 1.00 0.00 O ATOM 1438 CB ASN A 85 7.533 -12.217 -7.065 1.00 0.00 C ATOM 1439 CG ASN A 85 7.338 -13.671 -6.653 1.00 0.00 C ATOM 1440 OD1 ASN A 85 6.819 -13.973 -5.589 1.00 0.00 O ATOM 1441 ND2 ASN A 85 7.728 -14.621 -7.469 1.00 0.00 N ATOM 0 H ASN A 85 9.691 -10.244 -6.005 1.00 0.00 H new ATOM 0 HA ASN A 85 9.592 -12.398 -6.542 1.00 0.00 H new ATOM 0 HB2 ASN A 85 7.067 -11.575 -6.317 1.00 0.00 H new ATOM 0 HB3 ASN A 85 7.008 -12.045 -8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.597 -15.599 -7.212 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.163 -14.381 -8.360 1.00 0.00 H new ATOM 1448 N ASN A 86 10.575 -11.311 -9.082 1.00 0.00 N ATOM 1449 CA ASN A 86 11.287 -11.434 -10.360 1.00 0.00 C ATOM 1450 C ASN A 86 12.501 -12.394 -10.314 1.00 0.00 C ATOM 1451 O ASN A 86 13.033 -12.783 -11.354 1.00 0.00 O ATOM 1452 CB ASN A 86 11.710 -10.007 -10.751 1.00 0.00 C ATOM 1453 CG ASN A 86 12.677 -9.427 -9.735 1.00 0.00 C ATOM 1454 OD1 ASN A 86 12.291 -8.957 -8.675 1.00 0.00 O ATOM 1455 ND2 ASN A 86 13.961 -9.559 -9.970 1.00 0.00 N ATOM 0 H ASN A 86 10.861 -10.481 -8.563 1.00 0.00 H new ATOM 0 HA ASN A 86 10.628 -11.883 -11.102 1.00 0.00 H new ATOM 0 HB2 ASN A 86 12.177 -10.020 -11.736 1.00 0.00 H new ATOM 0 HB3 ASN A 86 10.829 -9.370 -10.824 1.00 0.00 H new ATOM 0 HD21 ASN A 86 14.641 -9.269 -9.267 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.280 -9.952 -10.856 1.00 0.00 H new ATOM 1462 N PHE A 87 12.947 -12.791 -9.118 1.00 0.00 N ATOM 1463 CA PHE A 87 14.175 -13.563 -8.848 1.00 0.00 C ATOM 1464 C PHE A 87 14.097 -15.060 -9.226 1.00 0.00 C ATOM 1465 O PHE A 87 14.927 -15.864 -8.801 1.00 0.00 O ATOM 1466 CB PHE A 87 14.547 -13.363 -7.368 1.00 0.00 C ATOM 1467 CG PHE A 87 13.570 -13.999 -6.388 1.00 0.00 C ATOM 1468 CD1 PHE A 87 12.450 -13.279 -5.930 1.00 0.00 C ATOM 1469 CD2 PHE A 87 13.767 -15.325 -5.958 1.00 0.00 C ATOM 1470 CE1 PHE A 87 11.531 -13.885 -5.051 1.00 0.00 C ATOM 1471 CE2 PHE A 87 12.842 -15.935 -5.093 1.00 0.00 C ATOM 1472 CZ PHE A 87 11.725 -15.214 -4.637 1.00 0.00 C ATOM 0 H PHE A 87 12.437 -12.573 -8.262 1.00 0.00 H new ATOM 0 HA PHE A 87 14.958 -13.178 -9.501 1.00 0.00 H new ATOM 0 HB2 PHE A 87 15.540 -13.778 -7.195 1.00 0.00 H new ATOM 0 HB3 PHE A 87 14.608 -12.295 -7.161 1.00 0.00 H new ATOM 0 HD1 PHE A 87 12.295 -12.260 -6.253 1.00 0.00 H new ATOM 0 HD2 PHE A 87 14.633 -15.876 -6.294 1.00 0.00 H new ATOM 0 HE1 PHE A 87 10.677 -13.328 -4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 87 12.990 -16.958 -4.779 1.00 0.00 H new ATOM 0 HZ PHE A 87 11.016 -15.681 -3.969 1.00 0.00 H new ATOM 1482 N LYS A 88 13.092 -15.461 -10.015 1.00 0.00 N ATOM 1483 CA LYS A 88 12.751 -16.864 -10.318 1.00 0.00 C ATOM 1484 C LYS A 88 13.646 -17.477 -11.404 1.00 0.00 C ATOM 1485 O LYS A 88 13.724 -18.699 -11.528 1.00 0.00 O ATOM 1486 CB LYS A 88 11.260 -16.926 -10.695 1.00 0.00 C ATOM 1487 CG LYS A 88 10.989 -16.274 -12.060 1.00 0.00 C ATOM 1488 CD LYS A 88 9.505 -16.058 -12.379 1.00 0.00 C ATOM 1489 CE LYS A 88 8.980 -14.819 -11.647 1.00 0.00 C ATOM 1490 NZ LYS A 88 7.565 -14.531 -11.997 1.00 0.00 N ATOM 0 H LYS A 88 12.470 -14.798 -10.478 1.00 0.00 H new ATOM 0 HA LYS A 88 12.934 -17.471 -9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.934 -17.966 -10.718 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.670 -16.423 -9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.499 -15.311 -12.096 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.428 -16.897 -12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.371 -15.938 -13.454 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.930 -16.935 -12.082 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.065 -14.969 -10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.599 -13.958 -11.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.245 -13.686 -11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.488 -14.363 -13.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.970 -15.342 -11.734 1.00 0.00 H new ATOM 1504 N THR A 89 14.298 -16.609 -12.179 1.00 0.00 N ATOM 1505 CA THR A 89 15.093 -16.926 -13.371 1.00 0.00 C ATOM 1506 C THR A 89 16.533 -16.422 -13.235 1.00 0.00 C ATOM 1507 O THR A 89 17.475 -17.121 -13.600 1.00 0.00 O ATOM 1508 CB THR A 89 14.417 -16.295 -14.597 1.00 0.00 C ATOM 1509 OG1 THR A 89 13.102 -16.786 -14.746 1.00 0.00 O ATOM 1510 CG2 THR A 89 15.147 -16.625 -15.885 1.00 0.00 C ATOM 0 H THR A 89 14.286 -15.608 -11.982 1.00 0.00 H new ATOM 0 HA THR A 89 15.140 -18.009 -13.487 1.00 0.00 H new ATOM 0 HB THR A 89 14.428 -15.219 -14.425 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.685 -16.372 -15.531 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.633 -16.158 -16.725 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.169 -16.249 -15.831 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.165 -17.706 -16.027 1.00 0.00 H new ATOM 1518 N ILE A 90 16.722 -15.234 -12.651 1.00 0.00 N ATOM 1519 CA ILE A 90 18.022 -14.741 -12.159 1.00 0.00 C ATOM 1520 C ILE A 90 18.450 -15.609 -10.964 1.00 0.00 C ATOM 1521 O ILE A 90 17.616 -16.249 -10.324 1.00 0.00 O ATOM 1522 CB ILE A 90 17.935 -13.227 -11.816 1.00 0.00 C ATOM 1523 CG1 ILE A 90 17.295 -12.444 -12.992 1.00 0.00 C ATOM 1524 CG2 ILE A 90 19.320 -12.628 -11.490 1.00 0.00 C ATOM 1525 CD1 ILE A 90 17.110 -10.937 -12.767 1.00 0.00 C ATOM 0 H ILE A 90 15.962 -14.571 -12.502 1.00 0.00 H new ATOM 0 HA ILE A 90 18.787 -14.828 -12.930 1.00 0.00 H new ATOM 0 HB ILE A 90 17.310 -13.133 -10.928 1.00 0.00 H new ATOM 0 HG12 ILE A 90 17.913 -12.587 -13.878 1.00 0.00 H new ATOM 0 HG13 ILE A 90 16.321 -12.882 -13.209 1.00 0.00 H new ATOM 0 HG21 ILE A 90 19.212 -11.569 -11.256 1.00 0.00 H new ATOM 0 HG22 ILE A 90 19.748 -13.147 -10.633 1.00 0.00 H new ATOM 0 HG23 ILE A 90 19.979 -12.745 -12.351 1.00 0.00 H new ATOM 0 HD11 ILE A 90 16.655 -10.490 -13.651 1.00 0.00 H new ATOM 0 HD12 ILE A 90 16.463 -10.775 -11.905 1.00 0.00 H new ATOM 0 HD13 ILE A 90 18.080 -10.474 -12.585 1.00 0.00 H new ATOM 1537 N LYS A 91 19.750 -15.629 -10.646 1.00 0.00 N ATOM 1538 CA LYS A 91 20.324 -16.180 -9.401 1.00 0.00 C ATOM 1539 C LYS A 91 20.232 -17.706 -9.206 1.00 0.00 C ATOM 1540 O LYS A 91 20.918 -18.240 -8.335 1.00 0.00 O ATOM 1541 CB LYS A 91 19.725 -15.371 -8.230 1.00 0.00 C ATOM 1542 CG LYS A 91 20.621 -15.302 -6.989 1.00 0.00 C ATOM 1543 CD LYS A 91 20.277 -14.084 -6.114 1.00 0.00 C ATOM 1544 CE LYS A 91 20.641 -12.737 -6.769 1.00 0.00 C ATOM 1545 NZ LYS A 91 22.105 -12.470 -6.731 1.00 0.00 N ATOM 0 H LYS A 91 20.462 -15.249 -11.269 1.00 0.00 H new ATOM 0 HA LYS A 91 21.406 -16.059 -9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 91 19.519 -14.357 -8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 91 18.769 -15.813 -7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 91 20.507 -16.215 -6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 91 21.666 -15.248 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.210 -14.095 -5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 91 20.801 -14.170 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 91 20.300 -12.735 -7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.113 -11.932 -6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 22.303 -11.554 -7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 22.428 -12.446 -5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 22.609 -13.223 -7.241 1.00 0.00 H new ATOM 1559 N MET A 92 19.469 -18.423 -10.037 1.00 0.00 N ATOM 1560 CA MET A 92 19.373 -19.895 -10.001 1.00 0.00 C ATOM 1561 C MET A 92 20.508 -20.595 -10.771 1.00 0.00 C ATOM 1562 O MET A 92 20.850 -21.736 -10.453 1.00 0.00 O ATOM 1563 CB MET A 92 17.988 -20.362 -10.489 1.00 0.00 C ATOM 1564 CG MET A 92 17.783 -20.213 -12.002 1.00 0.00 C ATOM 1565 SD MET A 92 16.196 -20.833 -12.616 1.00 0.00 S ATOM 1566 CE MET A 92 16.451 -20.581 -14.395 1.00 0.00 C ATOM 0 H MET A 92 18.893 -17.998 -10.763 1.00 0.00 H new ATOM 0 HA MET A 92 19.493 -20.192 -8.959 1.00 0.00 H new ATOM 0 HB2 MET A 92 17.850 -21.408 -10.214 1.00 0.00 H new ATOM 0 HB3 MET A 92 17.218 -19.791 -9.969 1.00 0.00 H new ATOM 0 HG2 MET A 92 17.872 -19.159 -12.265 1.00 0.00 H new ATOM 0 HG3 MET A 92 18.587 -20.739 -12.517 1.00 0.00 H new ATOM 0 HE1 MET A 92 15.566 -20.910 -14.940 1.00 0.00 H new ATOM 0 HE2 MET A 92 16.625 -19.523 -14.591 1.00 0.00 H new ATOM 0 HE3 MET A 92 17.315 -21.158 -14.724 1.00 0.00 H new ATOM 1576 N PHE A 93 21.085 -19.922 -11.777 1.00 0.00 N ATOM 1577 CA PHE A 93 22.109 -20.473 -12.679 1.00 0.00 C ATOM 1578 C PHE A 93 23.441 -19.692 -12.683 1.00 0.00 C ATOM 1579 O PHE A 93 24.435 -20.166 -13.235 1.00 0.00 O ATOM 1580 CB PHE A 93 21.516 -20.597 -14.096 1.00 0.00 C ATOM 1581 CG PHE A 93 21.418 -19.296 -14.878 1.00 0.00 C ATOM 1582 CD1 PHE A 93 20.266 -18.492 -14.784 1.00 0.00 C ATOM 1583 CD2 PHE A 93 22.477 -18.896 -15.717 1.00 0.00 C ATOM 1584 CE1 PHE A 93 20.180 -17.292 -15.515 1.00 0.00 C ATOM 1585 CE2 PHE A 93 22.389 -17.698 -16.447 1.00 0.00 C ATOM 1586 CZ PHE A 93 21.242 -16.893 -16.345 1.00 0.00 C ATOM 0 H PHE A 93 20.847 -18.954 -11.992 1.00 0.00 H new ATOM 0 HA PHE A 93 22.378 -21.458 -12.298 1.00 0.00 H new ATOM 0 HB2 PHE A 93 22.125 -21.299 -14.666 1.00 0.00 H new ATOM 0 HB3 PHE A 93 20.519 -21.030 -14.018 1.00 0.00 H new ATOM 0 HD1 PHE A 93 19.447 -18.797 -14.150 1.00 0.00 H new ATOM 0 HD2 PHE A 93 23.360 -19.512 -15.800 1.00 0.00 H new ATOM 0 HE1 PHE A 93 19.296 -16.676 -15.438 1.00 0.00 H new ATOM 0 HE2 PHE A 93 23.204 -17.396 -17.087 1.00 0.00 H new ATOM 0 HZ PHE A 93 21.176 -15.970 -16.903 1.00 0.00 H new ATOM 1596 N GLU A 94 23.477 -18.504 -12.071 1.00 0.00 N ATOM 1597 CA GLU A 94 24.646 -17.613 -12.044 1.00 0.00 C ATOM 1598 C GLU A 94 25.617 -17.978 -10.905 1.00 0.00 C ATOM 1599 O GLU A 94 25.202 -18.170 -9.758 1.00 0.00 O ATOM 1600 CB GLU A 94 24.184 -16.150 -11.912 1.00 0.00 C ATOM 1601 CG GLU A 94 23.421 -15.607 -13.132 1.00 0.00 C ATOM 1602 CD GLU A 94 24.368 -15.158 -14.267 1.00 0.00 C ATOM 1603 OE1 GLU A 94 25.088 -16.005 -14.849 1.00 0.00 O ATOM 1604 OE2 GLU A 94 24.403 -13.943 -14.582 1.00 0.00 O ATOM 0 H GLU A 94 22.675 -18.124 -11.568 1.00 0.00 H new ATOM 0 HA GLU A 94 25.187 -17.738 -12.982 1.00 0.00 H new ATOM 0 HB2 GLU A 94 23.546 -16.062 -11.032 1.00 0.00 H new ATOM 0 HB3 GLU A 94 25.057 -15.521 -11.737 1.00 0.00 H new ATOM 0 HG2 GLU A 94 22.747 -16.377 -13.508 1.00 0.00 H new ATOM 0 HG3 GLU A 94 22.802 -14.764 -12.824 1.00 0.00 H new