USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 0 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 28 SER OG : rot 126:sc= 0.334 USER MOD Set 1.2: A 77 TYR OH : rot -130:sc= -2.75! USER MOD Set 2.1: A 12 TYR OH : rot 29:sc= -0.187 USER MOD Set 2.2: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 53 GLN :FLIP amide:sc= -2.96! F(o=-6.7,f=-3.1!) USER MOD Single : A 8 ASN : amide:sc= -1.96 K(o=-2,f=-3.6!) USER MOD Single : A 9 HIS : no HD1:sc= -2.85 K(o=-2.9,f=-6.1!) USER MOD Single : A 10 THR OG1 : rot 90:sc=-0.00223 USER MOD Single : A 14 ASN : amide:sc= -0.374 K(o=-0.37,f=-2.6!) USER MOD Single : A 15 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.1!) USER MOD Single : A 17 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0099 X(o=-0.0099,f=-0.32) USER MOD Single : A 34 SER OG : rot -11:sc= -0.88 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 170:sc= -1.14 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0577 USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= -0.242 (180deg=-1.19) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.308 USER MOD Single : A 66 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.8!) USER MOD Single : A 70 SER OG : rot -160:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.00212 X(o=0.0021,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 85 TYR OH : rot 118:sc= -4.14! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 31.776 -3.561 -27.819 1.00 0.00 N ATOM 683 CA PRO A 7 30.922 -3.114 -26.704 1.00 0.00 C ATOM 684 C PRO A 7 31.134 -1.616 -26.433 1.00 0.00 C ATOM 685 O PRO A 7 32.243 -1.102 -26.573 1.00 0.00 O ATOM 686 CB PRO A 7 31.399 -3.957 -25.518 1.00 0.00 C ATOM 687 CG PRO A 7 32.837 -4.413 -25.855 1.00 0.00 C ATOM 688 CD PRO A 7 32.987 -4.304 -27.384 1.00 0.00 C ATOM 0 HA PRO A 7 29.858 -3.239 -26.905 1.00 0.00 H new ATOM 0 HB2 PRO A 7 31.382 -3.375 -24.597 1.00 0.00 H new ATOM 0 HB3 PRO A 7 30.745 -4.816 -25.364 1.00 0.00 H new ATOM 0 HG2 PRO A 7 33.571 -3.786 -25.348 1.00 0.00 H new ATOM 0 HG3 PRO A 7 33.007 -5.437 -25.521 1.00 0.00 H new ATOM 0 HD2 PRO A 7 33.899 -3.773 -27.658 1.00 0.00 H new ATOM 0 HD3 PRO A 7 33.039 -5.288 -27.850 1.00 0.00 H new ATOM 689 N ASN A 8 30.098 -0.903 -26.048 1.00 0.00 N ATOM 690 CA ASN A 8 30.258 0.555 -25.776 1.00 0.00 C ATOM 691 C ASN A 8 29.979 0.835 -24.291 1.00 0.00 C ATOM 692 O ASN A 8 29.680 -0.077 -23.524 1.00 0.00 O ATOM 693 CB ASN A 8 29.271 1.346 -26.638 1.00 0.00 C ATOM 694 CG ASN A 8 29.604 1.138 -28.120 1.00 0.00 C ATOM 695 OD1 ASN A 8 29.228 0.124 -28.705 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.292 2.046 -28.769 1.00 0.00 N ATOM 0 H ASN A 8 29.156 -1.270 -25.913 1.00 0.00 H new ATOM 0 HA ASN A 8 31.277 0.859 -26.017 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.251 1.019 -26.434 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.322 2.406 -26.388 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.513 1.910 -29.755 1.00 0.00 H new ATOM 0 HD22 ASN A 8 30.606 2.889 -28.288 1.00 0.00 H new ATOM 697 N HIS A 9 30.069 2.077 -23.868 1.00 0.00 N ATOM 698 CA HIS A 9 29.806 2.398 -22.431 1.00 0.00 C ATOM 699 C HIS A 9 28.333 2.801 -22.250 1.00 0.00 C ATOM 700 O HIS A 9 27.702 2.443 -21.256 1.00 0.00 O ATOM 701 CB HIS A 9 30.708 3.557 -21.989 1.00 0.00 C ATOM 702 CG HIS A 9 31.111 3.370 -20.551 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.439 3.336 -20.156 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.374 3.212 -19.403 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.461 3.161 -18.822 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.229 3.079 -18.313 1.00 0.00 N ATOM 0 H HIS A 9 30.312 2.876 -24.454 1.00 0.00 H new ATOM 0 HA HIS A 9 30.018 1.518 -21.823 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.594 3.602 -22.622 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.183 4.505 -22.109 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.295 3.194 -19.354 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.365 3.095 -18.235 1.00 0.00 H new ATOM 0 HE2 HIS A 9 30.970 2.947 -17.335 1.00 0.00 H new ATOM 707 N THR A 10 27.770 3.546 -23.179 1.00 0.00 N ATOM 708 CA THR A 10 26.346 3.967 -23.035 1.00 0.00 C ATOM 709 C THR A 10 25.471 3.199 -24.043 1.00 0.00 C ATOM 710 O THR A 10 25.824 3.071 -25.211 1.00 0.00 O ATOM 711 CB THR A 10 26.244 5.476 -23.305 1.00 0.00 C ATOM 712 OG1 THR A 10 26.975 6.181 -22.311 1.00 0.00 O ATOM 713 CG2 THR A 10 24.779 5.924 -23.274 1.00 0.00 C ATOM 0 H THR A 10 28.237 3.876 -24.024 1.00 0.00 H new ATOM 0 HA THR A 10 25.998 3.748 -22.026 1.00 0.00 H new ATOM 0 HB THR A 10 26.657 5.689 -24.291 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.901 6.299 -22.608 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.722 6.995 -23.467 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.218 5.387 -24.039 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.353 5.709 -22.294 1.00 0.00 H new ATOM 714 N ILE A 11 24.326 2.703 -23.619 1.00 0.00 N ATOM 715 CA ILE A 11 23.437 1.971 -24.566 1.00 0.00 C ATOM 716 C ILE A 11 22.407 2.958 -25.143 1.00 0.00 C ATOM 717 O ILE A 11 22.373 4.128 -24.758 1.00 0.00 O ATOM 718 CB ILE A 11 22.724 0.815 -23.842 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.758 1.361 -22.771 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.770 -0.086 -23.176 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.313 1.187 -23.246 1.00 0.00 C ATOM 0 H ILE A 11 23.977 2.777 -22.663 1.00 0.00 H new ATOM 0 HA ILE A 11 24.032 1.548 -25.376 1.00 0.00 H new ATOM 0 HB ILE A 11 22.150 0.243 -24.570 1.00 0.00 H new ATOM 0 HG12 ILE A 11 21.908 0.834 -21.829 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.965 2.414 -22.583 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.269 -0.906 -22.662 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.440 -0.489 -23.936 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.346 0.496 -22.456 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.632 1.573 -22.488 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.168 1.734 -24.177 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.109 0.129 -23.411 1.00 0.00 H new ATOM 722 N TYR A 12 21.570 2.521 -26.059 1.00 0.00 N ATOM 723 CA TYR A 12 20.566 3.452 -26.654 1.00 0.00 C ATOM 724 C TYR A 12 19.287 2.675 -27.015 1.00 0.00 C ATOM 725 O TYR A 12 19.335 1.491 -27.340 1.00 0.00 O ATOM 726 CB TYR A 12 21.176 4.088 -27.913 1.00 0.00 C ATOM 727 CG TYR A 12 20.142 4.911 -28.650 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.727 6.147 -28.138 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.603 4.435 -29.851 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.773 6.905 -28.828 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.650 5.193 -30.540 1.00 0.00 C ATOM 732 CZ TYR A 12 18.234 6.428 -30.030 1.00 0.00 C ATOM 733 OH TYR A 12 17.292 7.176 -30.709 1.00 0.00 O ATOM 0 H TYR A 12 21.542 1.566 -26.415 1.00 0.00 H new ATOM 0 HA TYR A 12 20.305 4.232 -25.939 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.020 4.719 -27.635 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.563 3.309 -28.569 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.143 6.515 -27.212 1.00 0.00 H new ATOM 0 HD2 TYR A 12 19.923 3.482 -30.246 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.453 7.858 -28.433 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.235 4.825 -31.466 1.00 0.00 H new ATOM 0 HH TYR A 12 17.436 8.128 -30.526 1.00 0.00 H new ATOM 734 N ILE A 13 18.144 3.324 -26.974 1.00 0.00 N ATOM 735 CA ILE A 13 16.872 2.629 -27.324 1.00 0.00 C ATOM 736 C ILE A 13 16.007 3.576 -28.170 1.00 0.00 C ATOM 737 O ILE A 13 16.000 4.786 -27.945 1.00 0.00 O ATOM 738 CB ILE A 13 16.115 2.253 -26.044 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.008 1.379 -25.143 1.00 0.00 C ATOM 740 CG2 ILE A 13 14.846 1.479 -26.416 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.355 2.142 -23.861 1.00 0.00 C ATOM 0 H ILE A 13 18.043 4.305 -26.713 1.00 0.00 H new ATOM 0 HA ILE A 13 17.093 1.721 -27.886 1.00 0.00 H new ATOM 0 HB ILE A 13 15.846 3.161 -25.504 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.494 0.450 -24.897 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.920 1.107 -25.674 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.305 1.210 -25.509 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.211 2.102 -27.046 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.118 0.574 -26.958 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.987 1.520 -23.227 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.887 3.058 -24.116 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.438 2.391 -23.327 1.00 0.00 H new ATOM 742 N ASN A 14 15.278 3.060 -29.137 1.00 0.00 N ATOM 743 CA ASN A 14 14.427 3.950 -29.979 1.00 0.00 C ATOM 744 C ASN A 14 13.120 3.222 -30.335 1.00 0.00 C ATOM 745 O ASN A 14 12.875 2.110 -29.869 1.00 0.00 O ATOM 746 CB ASN A 14 15.186 4.319 -31.260 1.00 0.00 C ATOM 747 CG ASN A 14 15.500 3.051 -32.067 1.00 0.00 C ATOM 748 OD1 ASN A 14 16.116 2.122 -31.551 1.00 0.00 O ATOM 749 ND2 ASN A 14 15.111 2.959 -33.315 1.00 0.00 N ATOM 0 H ASN A 14 15.239 2.069 -29.374 1.00 0.00 H new ATOM 0 HA ASN A 14 14.191 4.860 -29.428 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.589 5.005 -31.862 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.111 4.838 -31.008 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.320 2.118 -33.854 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.599 3.728 -33.748 1.00 0.00 H new ATOM 750 N ASN A 15 12.270 3.820 -31.145 1.00 0.00 N ATOM 751 CA ASN A 15 10.987 3.147 -31.509 1.00 0.00 C ATOM 752 C ASN A 15 10.153 2.933 -30.238 1.00 0.00 C ATOM 753 O ASN A 15 9.579 1.864 -30.035 1.00 0.00 O ATOM 754 CB ASN A 15 11.281 1.795 -32.165 1.00 0.00 C ATOM 755 CG ASN A 15 10.126 1.418 -33.102 1.00 0.00 C ATOM 756 OD1 ASN A 15 9.599 2.272 -33.812 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.697 0.181 -33.147 1.00 0.00 N ATOM 0 H ASN A 15 12.413 4.739 -31.564 1.00 0.00 H new ATOM 0 HA ASN A 15 10.433 3.771 -32.211 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.215 1.846 -32.724 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.408 1.028 -31.401 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.929 -0.070 -33.769 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.131 -0.531 -32.560 1.00 0.00 H new ATOM 758 N LEU A 16 10.072 3.923 -29.375 1.00 0.00 N ATOM 759 CA LEU A 16 9.273 3.759 -28.125 1.00 0.00 C ATOM 760 C LEU A 16 7.901 4.428 -28.311 1.00 0.00 C ATOM 761 O LEU A 16 7.549 4.840 -29.415 1.00 0.00 O ATOM 762 CB LEU A 16 10.013 4.418 -26.953 1.00 0.00 C ATOM 763 CG LEU A 16 11.462 3.923 -26.910 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.271 4.793 -25.946 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.490 2.470 -26.429 1.00 0.00 C ATOM 0 H LEU A 16 10.524 4.831 -29.486 1.00 0.00 H new ATOM 0 HA LEU A 16 9.137 2.699 -27.913 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.993 5.502 -27.062 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.510 4.182 -26.015 1.00 0.00 H new ATOM 0 HG LEU A 16 11.896 3.985 -27.908 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.302 4.440 -25.916 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.251 5.828 -26.286 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.837 4.731 -24.948 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.521 2.117 -26.398 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.055 2.409 -25.431 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.914 1.849 -27.115 1.00 0.00 H new ATOM 766 N ASN A 17 7.115 4.547 -27.261 1.00 0.00 N ATOM 767 CA ASN A 17 5.774 5.196 -27.408 1.00 0.00 C ATOM 768 C ASN A 17 5.950 6.717 -27.473 1.00 0.00 C ATOM 769 O ASN A 17 6.915 7.264 -26.944 1.00 0.00 O ATOM 770 CB ASN A 17 4.876 4.836 -26.218 1.00 0.00 C ATOM 771 CG ASN A 17 3.449 4.572 -26.712 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.088 4.977 -27.815 1.00 0.00 O ATOM 773 ND2 ASN A 17 2.606 3.909 -25.957 1.00 0.00 N ATOM 0 H ASN A 17 7.344 4.226 -26.320 1.00 0.00 H new ATOM 0 HA ASN A 17 5.305 4.839 -28.325 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.265 3.954 -25.710 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.876 5.648 -25.491 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.657 3.732 -26.286 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.900 3.570 -25.041 1.00 0.00 H new ATOM 774 N GLU A 18 5.040 7.414 -28.114 1.00 0.00 N ATOM 775 CA GLU A 18 5.167 8.894 -28.209 1.00 0.00 C ATOM 776 C GLU A 18 4.154 9.557 -27.262 1.00 0.00 C ATOM 777 O GLU A 18 3.512 10.544 -27.618 1.00 0.00 O ATOM 778 CB GLU A 18 4.890 9.331 -29.647 1.00 0.00 C ATOM 779 CG GLU A 18 6.123 9.059 -30.513 1.00 0.00 C ATOM 780 CD GLU A 18 5.683 8.529 -31.880 1.00 0.00 C ATOM 781 OE1 GLU A 18 4.893 7.600 -31.907 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.146 9.058 -32.876 1.00 0.00 O ATOM 0 H GLU A 18 4.219 7.018 -28.572 1.00 0.00 H new ATOM 0 HA GLU A 18 6.175 9.196 -27.925 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.029 8.792 -30.042 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.641 10.392 -29.674 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.703 9.974 -30.636 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.772 8.334 -30.022 1.00 0.00 H new ATOM 783 N LYS A 19 3.994 9.040 -26.063 1.00 0.00 N ATOM 784 CA LYS A 19 3.023 9.648 -25.110 1.00 0.00 C ATOM 785 C LYS A 19 3.521 9.469 -23.664 1.00 0.00 C ATOM 786 O LYS A 19 2.725 9.270 -22.748 1.00 0.00 O ATOM 787 CB LYS A 19 1.670 8.960 -25.274 1.00 0.00 C ATOM 788 CG LYS A 19 1.828 7.452 -25.053 1.00 0.00 C ATOM 789 CD LYS A 19 0.567 6.898 -24.386 1.00 0.00 C ATOM 790 CE LYS A 19 -0.534 6.735 -25.435 1.00 0.00 C ATOM 791 NZ LYS A 19 -1.864 6.718 -24.761 1.00 0.00 N ATOM 0 H LYS A 19 4.496 8.225 -25.710 1.00 0.00 H new ATOM 0 HA LYS A 19 2.926 10.713 -25.320 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.954 9.369 -24.561 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.272 9.152 -26.270 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.999 6.950 -26.005 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.699 7.255 -24.428 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.782 5.938 -23.917 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.235 7.571 -23.596 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.489 7.553 -26.155 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.385 5.811 -25.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.613 6.607 -25.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.903 5.924 -24.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.004 7.611 -24.247 1.00 0.00 H new ATOM 792 N ILE A 20 4.817 9.521 -23.436 1.00 0.00 N ATOM 793 CA ILE A 20 5.341 9.341 -22.055 1.00 0.00 C ATOM 794 C ILE A 20 5.901 10.660 -21.537 1.00 0.00 C ATOM 795 O ILE A 20 6.291 11.530 -22.316 1.00 0.00 O ATOM 796 CB ILE A 20 6.470 8.315 -22.070 1.00 0.00 C ATOM 797 CG1 ILE A 20 5.986 7.030 -22.759 1.00 0.00 C ATOM 798 CG2 ILE A 20 6.907 8.007 -20.633 1.00 0.00 C ATOM 799 CD1 ILE A 20 7.013 6.592 -23.804 1.00 0.00 C ATOM 0 H ILE A 20 5.527 9.680 -24.151 1.00 0.00 H new ATOM 0 HA ILE A 20 4.528 9.003 -21.412 1.00 0.00 H new ATOM 0 HB ILE A 20 7.320 8.718 -22.620 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.844 6.241 -22.021 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.020 7.201 -23.233 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.713 7.274 -20.647 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.257 8.922 -20.155 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.062 7.606 -20.074 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.669 5.680 -24.292 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.133 7.379 -24.548 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.970 6.404 -23.317 1.00 0.00 H new ATOM 800 N LYS A 21 5.969 10.827 -20.237 1.00 0.00 N ATOM 801 CA LYS A 21 6.526 12.087 -19.696 1.00 0.00 C ATOM 802 C LYS A 21 8.033 11.908 -19.465 1.00 0.00 C ATOM 803 O LYS A 21 8.585 10.841 -19.729 1.00 0.00 O ATOM 804 CB LYS A 21 5.833 12.448 -18.378 1.00 0.00 C ATOM 805 CG LYS A 21 4.577 13.272 -18.671 1.00 0.00 C ATOM 806 CD LYS A 21 3.395 12.332 -18.913 1.00 0.00 C ATOM 807 CE LYS A 21 2.811 11.887 -17.571 1.00 0.00 C ATOM 808 NZ LYS A 21 1.710 12.810 -17.177 1.00 0.00 N ATOM 0 H LYS A 21 5.664 10.147 -19.541 1.00 0.00 H new ATOM 0 HA LYS A 21 6.357 12.895 -20.408 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.567 11.541 -17.834 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.512 13.015 -17.741 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.362 13.936 -17.834 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.739 13.903 -19.545 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.631 12.837 -19.504 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.719 11.463 -19.486 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.435 10.867 -17.647 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.588 11.884 -16.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.313 12.507 -16.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.082 13.777 -17.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.965 12.791 -17.902 1.00 0.00 H new ATOM 809 N LYS A 22 8.716 12.922 -18.983 1.00 0.00 N ATOM 810 CA LYS A 22 10.189 12.780 -18.749 1.00 0.00 C ATOM 811 C LYS A 22 10.438 12.051 -17.425 1.00 0.00 C ATOM 812 O LYS A 22 11.365 11.254 -17.318 1.00 0.00 O ATOM 813 CB LYS A 22 10.848 14.159 -18.691 1.00 0.00 C ATOM 814 CG LYS A 22 12.369 14.003 -18.736 1.00 0.00 C ATOM 815 CD LYS A 22 13.025 15.201 -18.044 1.00 0.00 C ATOM 816 CE LYS A 22 14.357 15.517 -18.726 1.00 0.00 C ATOM 817 NZ LYS A 22 14.609 16.984 -18.666 1.00 0.00 N ATOM 0 H LYS A 22 8.322 13.832 -18.744 1.00 0.00 H new ATOM 0 HA LYS A 22 10.618 12.207 -19.571 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.510 14.770 -19.528 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.552 14.677 -17.778 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.665 13.077 -18.243 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.708 13.936 -19.770 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.366 16.068 -18.091 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.188 14.981 -16.989 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.167 14.978 -18.234 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.335 15.183 -19.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.515 17.200 -19.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.841 17.488 -19.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.647 17.289 -17.673 1.00 0.00 H new ATOM 818 N ASP A 23 9.633 12.293 -16.418 1.00 0.00 N ATOM 819 CA ASP A 23 9.839 11.583 -15.121 1.00 0.00 C ATOM 820 C ASP A 23 9.371 10.122 -15.252 1.00 0.00 C ATOM 821 O ASP A 23 9.778 9.267 -14.467 1.00 0.00 O ATOM 822 CB ASP A 23 9.043 12.272 -14.003 1.00 0.00 C ATOM 823 CG ASP A 23 9.399 11.637 -12.657 1.00 0.00 C ATOM 824 OD1 ASP A 23 10.574 11.604 -12.333 1.00 0.00 O ATOM 825 OD2 ASP A 23 8.490 11.196 -11.974 1.00 0.00 O ATOM 0 H ASP A 23 8.850 12.946 -16.439 1.00 0.00 H new ATOM 0 HA ASP A 23 10.900 11.610 -14.872 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.269 13.338 -13.985 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.974 12.176 -14.191 1.00 0.00 H new ATOM 826 N GLU A 24 8.522 9.803 -16.217 1.00 0.00 N ATOM 827 CA GLU A 24 8.056 8.393 -16.348 1.00 0.00 C ATOM 828 C GLU A 24 9.104 7.559 -17.097 1.00 0.00 C ATOM 829 O GLU A 24 9.419 6.444 -16.688 1.00 0.00 O ATOM 830 CB GLU A 24 6.724 8.338 -17.107 1.00 0.00 C ATOM 831 CG GLU A 24 5.619 8.951 -16.243 1.00 0.00 C ATOM 832 CD GLU A 24 4.253 8.565 -16.811 1.00 0.00 C ATOM 833 OE1 GLU A 24 4.007 8.868 -17.968 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.475 7.974 -16.080 1.00 0.00 O ATOM 0 H GLU A 24 8.143 10.455 -16.904 1.00 0.00 H new ATOM 0 HA GLU A 24 7.914 7.983 -15.348 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.807 8.880 -18.049 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.476 7.306 -17.354 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.710 8.600 -15.215 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.721 10.036 -16.219 1.00 0.00 H new ATOM 835 N LEU A 25 9.650 8.059 -18.186 1.00 0.00 N ATOM 836 CA LEU A 25 10.672 7.251 -18.932 1.00 0.00 C ATOM 837 C LEU A 25 11.990 7.173 -18.141 1.00 0.00 C ATOM 838 O LEU A 25 12.728 6.198 -18.264 1.00 0.00 O ATOM 839 CB LEU A 25 10.938 7.874 -20.309 1.00 0.00 C ATOM 840 CG LEU A 25 11.269 6.771 -21.318 1.00 0.00 C ATOM 841 CD1 LEU A 25 10.053 5.861 -21.507 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.637 7.412 -22.659 1.00 0.00 C ATOM 0 H LEU A 25 9.437 8.974 -18.584 1.00 0.00 H new ATOM 0 HA LEU A 25 10.278 6.243 -19.060 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.064 8.434 -20.641 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.764 8.582 -20.245 1.00 0.00 H new ATOM 0 HG LEU A 25 12.106 6.179 -20.948 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.293 5.078 -22.226 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.786 5.408 -20.552 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.213 6.448 -21.878 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.874 6.632 -23.382 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.796 8.001 -23.024 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.504 8.060 -22.527 1.00 0.00 H new ATOM 843 N LYS A 26 12.308 8.158 -17.328 1.00 0.00 N ATOM 844 CA LYS A 26 13.580 8.088 -16.543 1.00 0.00 C ATOM 845 C LYS A 26 13.378 7.212 -15.295 1.00 0.00 C ATOM 846 O LYS A 26 14.319 6.581 -14.821 1.00 0.00 O ATOM 847 CB LYS A 26 14.017 9.495 -16.114 1.00 0.00 C ATOM 848 CG LYS A 26 15.402 9.424 -15.467 1.00 0.00 C ATOM 849 CD LYS A 26 15.888 10.838 -15.144 1.00 0.00 C ATOM 850 CE LYS A 26 17.056 10.763 -14.159 1.00 0.00 C ATOM 851 NZ LYS A 26 17.161 12.050 -13.414 1.00 0.00 N ATOM 0 H LYS A 26 11.747 8.996 -17.177 1.00 0.00 H new ATOM 0 HA LYS A 26 14.354 7.650 -17.173 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.041 10.159 -16.978 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.296 9.913 -15.411 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.359 8.826 -14.557 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.104 8.931 -16.139 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.201 11.344 -16.057 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.075 11.425 -14.717 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.906 9.938 -13.462 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.985 10.563 -14.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.955 12.000 -12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.323 12.828 -14.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.278 12.222 -12.892 1.00 0.00 H new ATOM 852 N LYS A 27 12.179 7.151 -14.745 1.00 0.00 N ATOM 853 CA LYS A 27 11.964 6.298 -13.532 1.00 0.00 C ATOM 854 C LYS A 27 11.943 4.808 -13.924 1.00 0.00 C ATOM 855 O LYS A 27 12.322 3.951 -13.126 1.00 0.00 O ATOM 856 CB LYS A 27 10.634 6.661 -12.857 1.00 0.00 C ATOM 857 CG LYS A 27 10.850 7.830 -11.896 1.00 0.00 C ATOM 858 CD LYS A 27 11.175 7.292 -10.501 1.00 0.00 C ATOM 859 CE LYS A 27 11.110 8.434 -9.484 1.00 0.00 C ATOM 860 NZ LYS A 27 12.468 9.019 -9.306 1.00 0.00 N ATOM 0 H LYS A 27 11.355 7.649 -15.081 1.00 0.00 H new ATOM 0 HA LYS A 27 12.784 6.478 -12.837 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.893 6.928 -13.610 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.242 5.800 -12.316 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.664 8.462 -12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.956 8.453 -11.858 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.468 6.508 -10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.168 6.842 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.414 9.200 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.734 8.065 -8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.424 9.795 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.120 8.285 -8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.810 9.386 -10.217 1.00 0.00 H new ATOM 861 N SER A 28 11.506 4.465 -15.123 1.00 0.00 N ATOM 862 CA SER A 28 11.472 3.019 -15.511 1.00 0.00 C ATOM 863 C SER A 28 12.855 2.571 -16.014 1.00 0.00 C ATOM 864 O SER A 28 13.288 1.452 -15.741 1.00 0.00 O ATOM 865 CB SER A 28 10.435 2.795 -16.617 1.00 0.00 C ATOM 866 OG SER A 28 9.161 3.231 -16.160 1.00 0.00 O ATOM 0 H SER A 28 11.178 5.117 -15.835 1.00 0.00 H new ATOM 0 HA SER A 28 11.200 2.432 -14.634 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.720 3.343 -17.515 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.396 1.740 -16.887 1.00 0.00 H new ATOM 0 HG SER A 28 8.787 3.875 -16.798 1.00 0.00 H new ATOM 867 N LEU A 29 13.560 3.408 -16.746 1.00 0.00 N ATOM 868 CA LEU A 29 14.910 2.993 -17.256 1.00 0.00 C ATOM 869 C LEU A 29 15.884 2.821 -16.082 1.00 0.00 C ATOM 870 O LEU A 29 16.702 1.904 -16.075 1.00 0.00 O ATOM 871 CB LEU A 29 15.464 4.052 -18.220 1.00 0.00 C ATOM 872 CG LEU A 29 14.664 4.028 -19.523 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.954 5.298 -20.324 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.070 2.804 -20.346 1.00 0.00 C ATOM 0 H LEU A 29 13.263 4.348 -17.009 1.00 0.00 H new ATOM 0 HA LEU A 29 14.803 2.046 -17.785 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.405 5.040 -17.764 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.517 3.857 -18.424 1.00 0.00 H new ATOM 0 HG LEU A 29 13.599 3.978 -19.295 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.384 5.281 -21.253 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.667 6.171 -19.738 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.018 5.349 -20.553 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.501 2.785 -21.275 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.135 2.856 -20.574 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.864 1.898 -19.776 1.00 0.00 H new ATOM 875 N HIS A 30 15.822 3.680 -15.091 1.00 0.00 N ATOM 876 CA HIS A 30 16.761 3.548 -13.928 1.00 0.00 C ATOM 877 C HIS A 30 16.465 2.264 -13.131 1.00 0.00 C ATOM 878 O HIS A 30 17.367 1.694 -12.518 1.00 0.00 O ATOM 879 CB HIS A 30 16.625 4.759 -12.995 1.00 0.00 C ATOM 880 CG HIS A 30 17.909 4.955 -12.237 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.998 4.748 -10.869 1.00 0.00 N ATOM 882 CD2 HIS A 30 19.164 5.337 -12.641 1.00 0.00 C ATOM 883 CE1 HIS A 30 19.267 5.006 -10.502 1.00 0.00 C ATOM 884 NE2 HIS A 30 20.020 5.368 -11.544 1.00 0.00 N ATOM 0 H HIS A 30 15.168 4.461 -15.036 1.00 0.00 H new ATOM 0 HA HIS A 30 17.777 3.500 -14.321 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.392 5.653 -13.574 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.800 4.605 -12.300 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.445 5.577 -13.656 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.632 4.930 -9.488 1.00 0.00 H new ATOM 0 HE2 HIS A 30 21.010 5.614 -11.537 1.00 0.00 H new ATOM 885 N ALA A 31 15.236 1.794 -13.108 1.00 0.00 N ATOM 886 CA ALA A 31 14.933 0.550 -12.327 1.00 0.00 C ATOM 887 C ALA A 31 15.387 -0.690 -13.116 1.00 0.00 C ATOM 888 O ALA A 31 16.310 -1.389 -12.707 1.00 0.00 O ATOM 889 CB ALA A 31 13.426 0.456 -12.047 1.00 0.00 C ATOM 0 H ALA A 31 14.440 2.213 -13.590 1.00 0.00 H new ATOM 0 HA ALA A 31 15.471 0.592 -11.380 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.217 -0.451 -11.479 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.108 1.325 -11.472 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.882 0.427 -12.991 1.00 0.00 H new ATOM 890 N ILE A 32 14.746 -0.997 -14.223 1.00 0.00 N ATOM 891 CA ILE A 32 15.133 -2.204 -15.006 1.00 0.00 C ATOM 892 C ILE A 32 16.657 -2.254 -15.246 1.00 0.00 C ATOM 893 O ILE A 32 17.311 -3.244 -14.921 1.00 0.00 O ATOM 894 CB ILE A 32 14.405 -2.261 -16.369 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.037 -0.872 -16.936 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.129 -3.093 -16.234 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.189 -0.885 -18.460 1.00 0.00 C ATOM 0 H ILE A 32 13.972 -0.459 -14.613 1.00 0.00 H new ATOM 0 HA ILE A 32 14.834 -3.067 -14.411 1.00 0.00 H new ATOM 0 HB ILE A 32 15.105 -2.717 -17.070 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.013 -0.616 -16.664 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.682 -0.108 -16.502 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.617 -3.132 -17.195 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.386 -4.104 -15.918 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.474 -2.636 -15.492 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.929 0.095 -18.860 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.221 -1.122 -18.721 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.525 -1.638 -18.885 1.00 0.00 H new ATOM 898 N PHE A 33 17.234 -1.230 -15.826 1.00 0.00 N ATOM 899 CA PHE A 33 18.710 -1.255 -16.104 1.00 0.00 C ATOM 900 C PHE A 33 19.513 -1.364 -14.797 1.00 0.00 C ATOM 901 O PHE A 33 20.503 -2.091 -14.732 1.00 0.00 O ATOM 902 CB PHE A 33 19.133 0.021 -16.843 1.00 0.00 C ATOM 903 CG PHE A 33 18.760 -0.098 -18.301 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.667 -0.654 -19.211 1.00 0.00 C ATOM 905 CD2 PHE A 33 17.508 0.346 -18.743 1.00 0.00 C ATOM 906 CE1 PHE A 33 19.322 -0.766 -20.563 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.163 0.234 -20.094 1.00 0.00 C ATOM 908 CZ PHE A 33 18.070 -0.321 -21.006 1.00 0.00 C ATOM 0 H PHE A 33 16.752 -0.380 -16.119 1.00 0.00 H new ATOM 0 HA PHE A 33 18.917 -2.127 -16.724 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.645 0.889 -16.401 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.208 0.174 -16.742 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.633 -0.996 -18.870 1.00 0.00 H new ATOM 0 HD2 PHE A 33 16.808 0.775 -18.041 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.021 -1.196 -21.265 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.197 0.576 -20.434 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.804 -0.406 -22.049 1.00 0.00 H new ATOM 909 N SER A 34 19.132 -0.652 -13.758 1.00 0.00 N ATOM 910 CA SER A 34 19.915 -0.731 -12.478 1.00 0.00 C ATOM 911 C SER A 34 20.066 -2.196 -12.028 1.00 0.00 C ATOM 912 O SER A 34 21.082 -2.566 -11.442 1.00 0.00 O ATOM 913 CB SER A 34 19.220 0.069 -11.369 1.00 0.00 C ATOM 914 OG SER A 34 17.854 -0.312 -11.296 1.00 0.00 O ATOM 0 H SER A 34 18.325 -0.028 -13.740 1.00 0.00 H new ATOM 0 HA SER A 34 20.902 -0.306 -12.662 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.711 -0.112 -10.413 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.300 1.137 -11.571 1.00 0.00 H new ATOM 0 HG SER A 34 17.626 -0.863 -12.074 1.00 0.00 H new ATOM 915 N ARG A 35 19.088 -3.045 -12.279 1.00 0.00 N ATOM 916 CA ARG A 35 19.218 -4.478 -11.847 1.00 0.00 C ATOM 917 C ARG A 35 20.518 -5.071 -12.412 1.00 0.00 C ATOM 918 O ARG A 35 21.297 -5.686 -11.684 1.00 0.00 O ATOM 919 CB ARG A 35 18.026 -5.301 -12.356 1.00 0.00 C ATOM 920 CG ARG A 35 16.804 -5.031 -11.474 1.00 0.00 C ATOM 921 CD ARG A 35 15.538 -5.067 -12.331 1.00 0.00 C ATOM 922 NE ARG A 35 14.438 -4.357 -11.620 1.00 0.00 N ATOM 923 CZ ARG A 35 13.579 -5.033 -10.906 1.00 0.00 C ATOM 924 NH1 ARG A 35 13.935 -5.523 -9.750 1.00 0.00 N ATOM 925 NH2 ARG A 35 12.365 -5.218 -11.348 1.00 0.00 N ATOM 0 H ARG A 35 18.218 -2.810 -12.757 1.00 0.00 H new ATOM 0 HA ARG A 35 19.237 -4.513 -10.758 1.00 0.00 H new ATOM 0 HB2 ARG A 35 17.805 -5.039 -13.391 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.271 -6.363 -12.341 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.741 -5.778 -10.683 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.900 -4.060 -10.989 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.725 -4.596 -13.296 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.250 -6.099 -12.531 1.00 0.00 H new ATOM 0 HE ARG A 35 14.356 -3.343 -11.691 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.884 -5.378 -9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.264 -6.051 -9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.087 -4.834 -12.251 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.694 -5.746 -10.790 1.00 0.00 H new ATOM 926 N PHE A 36 20.776 -4.903 -13.692 1.00 0.00 N ATOM 927 CA PHE A 36 22.036 -5.466 -14.277 1.00 0.00 C ATOM 928 C PHE A 36 23.250 -4.900 -13.524 1.00 0.00 C ATOM 929 O PHE A 36 24.043 -5.650 -12.957 1.00 0.00 O ATOM 930 CB PHE A 36 22.149 -5.096 -15.763 1.00 0.00 C ATOM 931 CG PHE A 36 21.018 -5.738 -16.529 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.093 -7.089 -16.889 1.00 0.00 C ATOM 933 CD2 PHE A 36 19.893 -4.982 -16.880 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.045 -7.684 -17.599 1.00 0.00 C ATOM 935 CE2 PHE A 36 18.844 -5.577 -17.592 1.00 0.00 C ATOM 936 CZ PHE A 36 18.920 -6.928 -17.950 1.00 0.00 C ATOM 0 H PHE A 36 20.174 -4.406 -14.349 1.00 0.00 H new ATOM 0 HA PHE A 36 22.011 -6.551 -14.181 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.115 -4.013 -15.883 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.107 -5.431 -16.160 1.00 0.00 H new ATOM 0 HD1 PHE A 36 21.961 -7.672 -16.618 1.00 0.00 H new ATOM 0 HD2 PHE A 36 19.834 -3.940 -16.602 1.00 0.00 H new ATOM 0 HE1 PHE A 36 20.104 -8.726 -17.876 1.00 0.00 H new ATOM 0 HE2 PHE A 36 17.977 -4.994 -17.865 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.110 -7.388 -18.497 1.00 0.00 H new ATOM 937 N GLY A 37 23.420 -3.594 -13.507 1.00 0.00 N ATOM 938 CA GLY A 37 24.591 -3.008 -12.788 1.00 0.00 C ATOM 939 C GLY A 37 24.219 -1.629 -12.219 1.00 0.00 C ATOM 940 O GLY A 37 23.043 -1.283 -12.125 1.00 0.00 O ATOM 0 H GLY A 37 22.802 -2.919 -13.957 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.903 -3.672 -11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.437 -2.914 -13.469 1.00 0.00 H new ATOM 941 N GLN A 38 25.194 -0.830 -11.839 1.00 0.00 N ATOM 942 CA GLN A 38 24.873 0.520 -11.283 1.00 0.00 C ATOM 943 C GLN A 38 24.825 1.545 -12.424 1.00 0.00 C ATOM 944 O GLN A 38 25.595 1.460 -13.379 1.00 0.00 O ATOM 945 CB GLN A 38 25.946 0.935 -10.269 1.00 0.00 C ATOM 946 CG GLN A 38 25.477 2.175 -9.505 1.00 0.00 C ATOM 947 CD GLN A 38 26.561 2.601 -8.508 1.00 0.00 C ATOM 948 OE1 GLN A 38 26.549 2.171 -7.356 1.00 0.00 O ATOM 949 NE2 GLN A 38 27.507 3.427 -8.882 1.00 0.00 N ATOM 0 H GLN A 38 26.187 -1.055 -11.891 1.00 0.00 H new ATOM 0 HA GLN A 38 23.904 0.481 -10.785 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.139 0.118 -9.574 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.884 1.145 -10.782 1.00 0.00 H new ATOM 0 HG2 GLN A 38 25.269 2.987 -10.201 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.547 1.961 -8.978 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.522 3.787 -9.836 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.228 3.710 -8.219 1.00 0.00 H new ATOM 950 N ILE A 39 23.936 2.513 -12.352 1.00 0.00 N ATOM 951 CA ILE A 39 23.853 3.528 -13.442 1.00 0.00 C ATOM 952 C ILE A 39 24.345 4.887 -12.921 1.00 0.00 C ATOM 953 O ILE A 39 24.129 5.231 -11.760 1.00 0.00 O ATOM 954 CB ILE A 39 22.401 3.662 -13.904 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.859 2.283 -14.292 1.00 0.00 C ATOM 956 CG2 ILE A 39 22.337 4.594 -15.115 1.00 0.00 C ATOM 957 CD1 ILE A 39 20.368 2.395 -14.621 1.00 0.00 C ATOM 0 H ILE A 39 23.271 2.639 -11.589 1.00 0.00 H new ATOM 0 HA ILE A 39 24.477 3.211 -14.277 1.00 0.00 H new ATOM 0 HB ILE A 39 21.798 4.074 -13.095 1.00 0.00 H new ATOM 0 HG12 ILE A 39 22.404 1.895 -15.153 1.00 0.00 H new ATOM 0 HG13 ILE A 39 22.010 1.578 -13.475 1.00 0.00 H new ATOM 0 HG21 ILE A 39 21.303 4.691 -15.446 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.723 5.575 -14.840 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.939 4.181 -15.924 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.982 1.414 -14.897 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.830 2.764 -13.748 1.00 0.00 H new ATOM 0 HD13 ILE A 39 20.230 3.087 -15.452 1.00 0.00 H new ATOM 958 N LEU A 40 24.996 5.671 -13.753 1.00 0.00 N ATOM 959 CA LEU A 40 25.484 7.003 -13.291 1.00 0.00 C ATOM 960 C LEU A 40 24.419 8.068 -13.588 1.00 0.00 C ATOM 961 O LEU A 40 24.166 8.950 -12.768 1.00 0.00 O ATOM 962 CB LEU A 40 26.787 7.364 -14.021 1.00 0.00 C ATOM 963 CG LEU A 40 27.974 7.226 -13.064 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.150 5.758 -12.678 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.246 7.727 -13.754 1.00 0.00 C ATOM 0 H LEU A 40 25.207 5.443 -14.725 1.00 0.00 H new ATOM 0 HA LEU A 40 25.674 6.964 -12.218 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.925 6.710 -14.882 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.731 8.384 -14.401 1.00 0.00 H new ATOM 0 HG LEU A 40 27.788 7.818 -12.168 1.00 0.00 H new ATOM 0 HD11 LEU A 40 28.995 5.660 -11.997 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.245 5.400 -12.188 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.336 5.166 -13.574 1.00 0.00 H new ATOM 0 HD21 LEU A 40 30.092 7.629 -13.073 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.431 7.135 -14.650 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.122 8.774 -14.030 1.00 0.00 H new ATOM 966 N ASP A 41 23.786 8.010 -14.739 1.00 0.00 N ATOM 967 CA ASP A 41 22.741 9.032 -15.064 1.00 0.00 C ATOM 968 C ASP A 41 22.024 8.667 -16.375 1.00 0.00 C ATOM 969 O ASP A 41 22.646 8.183 -17.320 1.00 0.00 O ATOM 970 CB ASP A 41 23.405 10.402 -15.216 1.00 0.00 C ATOM 971 CG ASP A 41 22.339 11.497 -15.148 1.00 0.00 C ATOM 972 OD1 ASP A 41 21.737 11.645 -14.097 1.00 0.00 O ATOM 973 OD2 ASP A 41 22.142 12.168 -16.148 1.00 0.00 O ATOM 0 H ASP A 41 23.947 7.306 -15.459 1.00 0.00 H new ATOM 0 HA ASP A 41 22.009 9.059 -14.257 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.143 10.549 -14.428 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.937 10.456 -16.166 1.00 0.00 H new ATOM 974 N ILE A 42 20.729 8.889 -16.458 1.00 0.00 N ATOM 975 CA ILE A 42 19.994 8.553 -17.712 1.00 0.00 C ATOM 976 C ILE A 42 19.541 9.849 -18.398 1.00 0.00 C ATOM 977 O ILE A 42 18.969 10.732 -17.759 1.00 0.00 O ATOM 978 CB ILE A 42 18.771 7.698 -17.374 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.215 6.467 -16.581 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.087 7.251 -18.666 1.00 0.00 C ATOM 981 CD1 ILE A 42 17.983 5.695 -16.105 1.00 0.00 C ATOM 0 H ILE A 42 20.157 9.286 -15.713 1.00 0.00 H new ATOM 0 HA ILE A 42 20.650 7.996 -18.382 1.00 0.00 H new ATOM 0 HB ILE A 42 18.072 8.284 -16.777 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.841 5.827 -17.203 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.820 6.770 -15.726 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.216 6.642 -18.425 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.772 8.127 -19.233 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.785 6.665 -19.263 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.299 4.818 -15.540 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.375 6.337 -15.468 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.396 5.379 -16.967 1.00 0.00 H new ATOM 982 N LEU A 43 19.782 9.991 -19.685 1.00 0.00 N ATOM 983 CA LEU A 43 19.361 11.238 -20.386 1.00 0.00 C ATOM 984 C LEU A 43 18.054 10.985 -21.154 1.00 0.00 C ATOM 985 O LEU A 43 17.959 10.043 -21.940 1.00 0.00 O ATOM 986 CB LEU A 43 20.453 11.665 -21.370 1.00 0.00 C ATOM 987 CG LEU A 43 21.536 12.448 -20.626 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.648 11.494 -20.188 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.120 13.517 -21.554 1.00 0.00 C ATOM 0 H LEU A 43 20.249 9.299 -20.271 1.00 0.00 H new ATOM 0 HA LEU A 43 19.202 12.027 -19.651 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.888 10.788 -21.849 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.024 12.280 -22.161 1.00 0.00 H new ATOM 0 HG LEU A 43 21.100 12.925 -19.748 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.419 12.053 -19.658 1.00 0.00 H new ATOM 0 HD12 LEU A 43 22.234 10.731 -19.528 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.084 11.017 -21.065 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.892 14.076 -21.025 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.555 13.039 -22.431 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.329 14.199 -21.867 1.00 0.00 H new ATOM 990 N VAL A 44 17.046 11.808 -20.954 1.00 0.00 N ATOM 991 CA VAL A 44 15.760 11.605 -21.684 1.00 0.00 C ATOM 992 C VAL A 44 15.284 12.951 -22.250 1.00 0.00 C ATOM 993 O VAL A 44 15.186 13.939 -21.524 1.00 0.00 O ATOM 994 CB VAL A 44 14.700 11.044 -20.730 1.00 0.00 C ATOM 995 CG1 VAL A 44 15.055 9.602 -20.356 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.640 11.898 -19.459 1.00 0.00 C ATOM 0 H VAL A 44 17.063 12.606 -20.319 1.00 0.00 H new ATOM 0 HA VAL A 44 15.913 10.897 -22.498 1.00 0.00 H new ATOM 0 HB VAL A 44 13.729 11.064 -21.225 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.300 9.206 -19.678 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.090 8.990 -21.258 1.00 0.00 H new ATOM 0 HG13 VAL A 44 16.029 9.582 -19.866 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.885 11.494 -18.785 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.612 11.884 -18.965 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.381 12.924 -19.722 1.00 0.00 H new ATOM 997 N SER A 45 14.989 13.020 -23.531 1.00 0.00 N ATOM 998 CA SER A 45 14.528 14.312 -24.118 1.00 0.00 C ATOM 999 C SER A 45 13.118 14.141 -24.703 1.00 0.00 C ATOM 1000 O SER A 45 12.688 13.025 -24.991 1.00 0.00 O ATOM 1001 CB SER A 45 15.489 14.738 -25.228 1.00 0.00 C ATOM 1002 OG SER A 45 14.823 15.635 -26.107 1.00 0.00 O ATOM 0 H SER A 45 15.049 12.241 -24.186 1.00 0.00 H new ATOM 0 HA SER A 45 14.507 15.074 -23.339 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.369 15.217 -24.799 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.838 13.864 -25.778 1.00 0.00 H new ATOM 0 HG SER A 45 15.474 16.034 -26.722 1.00 0.00 H new ATOM 1003 N ARG A 46 12.386 15.220 -24.890 1.00 0.00 N ATOM 1004 CA ARG A 46 11.014 15.099 -25.461 1.00 0.00 C ATOM 1005 C ARG A 46 10.881 15.977 -26.719 1.00 0.00 C ATOM 1006 O ARG A 46 9.801 16.490 -27.009 1.00 0.00 O ATOM 1007 CB ARG A 46 9.990 15.549 -24.418 1.00 0.00 C ATOM 1008 CG ARG A 46 9.851 14.473 -23.340 1.00 0.00 C ATOM 1009 CD ARG A 46 8.838 13.422 -23.796 1.00 0.00 C ATOM 1010 NE ARG A 46 8.966 12.206 -22.945 1.00 0.00 N ATOM 1011 CZ ARG A 46 9.582 11.151 -23.405 1.00 0.00 C ATOM 1012 NH1 ARG A 46 10.885 11.090 -23.371 1.00 0.00 N ATOM 1013 NH2 ARG A 46 8.894 10.156 -23.895 1.00 0.00 N ATOM 0 H ARG A 46 12.683 16.171 -24.671 1.00 0.00 H new ATOM 0 HA ARG A 46 10.833 14.059 -25.734 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.304 16.491 -23.968 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.026 15.729 -24.894 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.817 14.005 -23.152 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.527 14.923 -22.402 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.827 13.822 -23.727 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.009 13.167 -24.842 1.00 0.00 H new ATOM 0 HE ARG A 46 8.573 12.198 -22.004 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.422 11.867 -22.985 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.367 10.266 -23.730 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.875 10.203 -23.918 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.375 9.332 -24.255 1.00 0.00 H new ATOM 1014 N SER A 47 11.942 16.160 -27.480 1.00 0.00 N ATOM 1015 CA SER A 47 11.836 16.998 -28.712 1.00 0.00 C ATOM 1016 C SER A 47 11.549 16.081 -29.911 1.00 0.00 C ATOM 1017 O SER A 47 11.530 14.858 -29.771 1.00 0.00 O ATOM 1018 CB SER A 47 13.151 17.752 -28.937 1.00 0.00 C ATOM 1019 OG SER A 47 14.075 16.898 -29.599 1.00 0.00 O ATOM 0 H SER A 47 12.865 15.767 -27.298 1.00 0.00 H new ATOM 0 HA SER A 47 11.029 17.722 -28.601 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.973 18.647 -29.534 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.562 18.082 -27.983 1.00 0.00 H new ATOM 0 HG SER A 47 14.917 17.378 -29.746 1.00 0.00 H new ATOM 1020 N LEU A 48 11.317 16.630 -31.086 1.00 0.00 N ATOM 1021 CA LEU A 48 11.026 15.749 -32.266 1.00 0.00 C ATOM 1022 C LEU A 48 12.205 14.793 -32.500 1.00 0.00 C ATOM 1023 O LEU A 48 12.028 13.577 -32.551 1.00 0.00 O ATOM 1024 CB LEU A 48 10.802 16.591 -33.527 1.00 0.00 C ATOM 1025 CG LEU A 48 10.006 15.782 -34.554 1.00 0.00 C ATOM 1026 CD1 LEU A 48 8.980 16.692 -35.235 1.00 0.00 C ATOM 1027 CD2 LEU A 48 10.959 15.210 -35.606 1.00 0.00 C ATOM 0 H LEU A 48 11.317 17.632 -31.276 1.00 0.00 H new ATOM 0 HA LEU A 48 10.121 15.179 -32.056 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.265 17.505 -33.275 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.761 16.891 -33.950 1.00 0.00 H new ATOM 0 HG LEU A 48 9.490 14.964 -34.051 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.413 16.117 -35.967 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.300 17.098 -34.486 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.496 17.510 -35.738 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.391 14.634 -36.337 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.477 16.026 -36.110 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.689 14.562 -35.121 1.00 0.00 H new ATOM 1028 N LYS A 49 13.408 15.309 -32.648 1.00 0.00 N ATOM 1029 CA LYS A 49 14.582 14.403 -32.883 1.00 0.00 C ATOM 1030 C LYS A 49 14.676 13.372 -31.748 1.00 0.00 C ATOM 1031 O LYS A 49 14.975 12.202 -31.985 1.00 0.00 O ATOM 1032 CB LYS A 49 15.883 15.216 -32.932 1.00 0.00 C ATOM 1033 CG LYS A 49 15.911 16.057 -34.210 1.00 0.00 C ATOM 1034 CD LYS A 49 16.709 17.338 -33.960 1.00 0.00 C ATOM 1035 CE LYS A 49 18.180 16.988 -33.726 1.00 0.00 C ATOM 1036 NZ LYS A 49 18.435 16.865 -32.263 1.00 0.00 N ATOM 0 H LYS A 49 13.625 16.305 -32.617 1.00 0.00 H new ATOM 0 HA LYS A 49 14.442 13.893 -33.836 1.00 0.00 H new ATOM 0 HB2 LYS A 49 15.954 15.862 -32.057 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.743 14.547 -32.905 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.362 15.488 -35.023 1.00 0.00 H new ATOM 0 HG3 LYS A 49 14.895 16.303 -34.518 1.00 0.00 H new ATOM 0 HD2 LYS A 49 16.616 18.009 -34.814 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.308 17.865 -33.095 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.427 16.053 -34.229 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.821 17.759 -34.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.409 17.165 -32.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.767 17.469 -31.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.307 15.875 -31.970 1.00 0.00 H new ATOM 1037 N MET A 50 14.431 13.772 -30.518 1.00 0.00 N ATOM 1038 CA MET A 50 14.512 12.800 -29.389 1.00 0.00 C ATOM 1039 C MET A 50 13.097 12.331 -29.015 1.00 0.00 C ATOM 1040 O MET A 50 12.641 12.534 -27.891 1.00 0.00 O ATOM 1041 CB MET A 50 15.167 13.474 -28.181 1.00 0.00 C ATOM 1042 CG MET A 50 16.644 13.736 -28.478 1.00 0.00 C ATOM 1043 SD MET A 50 17.611 12.257 -28.088 1.00 0.00 S ATOM 1044 CE MET A 50 18.498 12.144 -29.661 1.00 0.00 C ATOM 0 H MET A 50 14.180 14.725 -30.254 1.00 0.00 H new ATOM 0 HA MET A 50 15.110 11.940 -29.691 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.659 14.412 -27.955 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.070 12.839 -27.300 1.00 0.00 H new ATOM 0 HG2 MET A 50 16.773 14.001 -29.527 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.000 14.582 -27.889 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.166 11.283 -29.641 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.782 12.029 -30.475 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.081 13.052 -29.816 1.00 0.00 H new ATOM 1045 N ARG A 51 12.387 11.707 -29.931 1.00 0.00 N ATOM 1046 CA ARG A 51 11.009 11.237 -29.610 1.00 0.00 C ATOM 1047 C ARG A 51 11.010 9.707 -29.466 1.00 0.00 C ATOM 1048 O ARG A 51 11.341 8.986 -30.406 1.00 0.00 O ATOM 1049 CB ARG A 51 10.056 11.640 -30.739 1.00 0.00 C ATOM 1050 CG ARG A 51 8.699 12.041 -30.151 1.00 0.00 C ATOM 1051 CD ARG A 51 8.636 13.562 -29.990 1.00 0.00 C ATOM 1052 NE ARG A 51 7.275 14.044 -30.354 1.00 0.00 N ATOM 1053 CZ ARG A 51 6.516 14.603 -29.451 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.882 15.726 -28.895 1.00 0.00 N ATOM 1055 NH2 ARG A 51 5.391 14.040 -29.105 1.00 0.00 N ATOM 0 H ARG A 51 12.705 11.507 -30.879 1.00 0.00 H new ATOM 0 HA ARG A 51 10.680 11.691 -28.675 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.478 12.471 -31.305 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.931 10.811 -31.435 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.894 11.701 -30.803 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.553 11.557 -29.185 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.869 13.839 -28.962 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.384 14.037 -30.625 1.00 0.00 H new ATOM 0 HE ARG A 51 6.935 13.937 -31.310 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.761 16.167 -29.166 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.289 16.163 -28.189 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.105 13.163 -29.540 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.798 14.477 -28.399 1.00 0.00 H new ATOM 1056 N GLY A 52 10.644 9.192 -28.311 1.00 0.00 N ATOM 1057 CA GLY A 52 10.627 7.711 -28.127 1.00 0.00 C ATOM 1058 C GLY A 52 12.061 7.164 -28.167 1.00 0.00 C ATOM 1059 O GLY A 52 12.314 6.108 -28.744 1.00 0.00 O ATOM 0 H GLY A 52 10.359 9.734 -27.496 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.159 7.459 -27.175 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.029 7.245 -28.910 1.00 0.00 H new ATOM 1060 N GLN A 53 13.011 7.854 -27.569 1.00 0.00 N ATOM 1061 CA GLN A 53 14.419 7.348 -27.588 1.00 0.00 C ATOM 1062 C GLN A 53 15.207 7.947 -26.411 1.00 0.00 C ATOM 1063 O GLN A 53 15.006 9.105 -26.046 1.00 0.00 O ATOM 1064 CB GLN A 53 15.086 7.751 -28.906 1.00 0.00 C ATOM 1065 CG GLN A 53 14.957 9.263 -29.100 1.00 0.00 C ATOM 1066 CD GLN A 53 15.346 9.629 -30.539 1.00 0.00 C ATOM 1067 OE1 GLN A 53 16.609 9.668 -30.886 1.00 0.00 O flip ATOM 1068 NE2 GLN A 53 14.477 9.884 -31.371 1.00 0.00 N flip ATOM 0 H GLN A 53 12.871 8.735 -27.075 1.00 0.00 H new ATOM 0 HA GLN A 53 14.411 6.262 -27.497 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.137 7.463 -28.897 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.618 7.225 -29.739 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.934 9.581 -28.896 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.600 9.787 -28.393 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.493 9.855 -31.106 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.741 10.125 -32.327 1.00 0.00 H new ATOM 1069 N ALA A 54 16.098 7.190 -25.805 1.00 0.00 N ATOM 1070 CA ALA A 54 16.879 7.741 -24.655 1.00 0.00 C ATOM 1071 C ALA A 54 18.232 7.024 -24.538 1.00 0.00 C ATOM 1072 O ALA A 54 18.443 5.973 -25.138 1.00 0.00 O ATOM 1073 CB ALA A 54 16.087 7.542 -23.361 1.00 0.00 C ATOM 0 H ALA A 54 16.313 6.225 -26.057 1.00 0.00 H new ATOM 0 HA ALA A 54 17.054 8.804 -24.823 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.655 7.943 -22.522 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.132 8.063 -23.435 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.909 6.478 -23.203 1.00 0.00 H new ATOM 1074 N PHE A 55 19.158 7.566 -23.774 1.00 0.00 N ATOM 1075 CA PHE A 55 20.486 6.904 -23.626 1.00 0.00 C ATOM 1076 C PHE A 55 20.700 6.533 -22.152 1.00 0.00 C ATOM 1077 O PHE A 55 20.154 7.180 -21.259 1.00 0.00 O ATOM 1078 CB PHE A 55 21.589 7.867 -24.072 1.00 0.00 C ATOM 1079 CG PHE A 55 21.335 8.305 -25.495 1.00 0.00 C ATOM 1080 CD1 PHE A 55 20.297 9.199 -25.778 1.00 0.00 C ATOM 1081 CD2 PHE A 55 22.139 7.815 -26.531 1.00 0.00 C ATOM 1082 CE1 PHE A 55 20.062 9.605 -27.097 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.905 8.220 -27.851 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.866 9.115 -28.133 1.00 0.00 C ATOM 0 H PHE A 55 19.046 8.435 -23.251 1.00 0.00 H new ATOM 0 HA PHE A 55 20.519 6.005 -24.242 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.616 8.735 -23.413 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.562 7.381 -23.999 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.677 9.576 -24.979 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.940 7.124 -26.312 1.00 0.00 H new ATOM 0 HE1 PHE A 55 19.261 10.296 -27.315 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.525 7.842 -28.650 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.685 9.428 -29.151 1.00 0.00 H new ATOM 1085 N VAL A 56 21.479 5.511 -21.868 1.00 0.00 N ATOM 1086 CA VAL A 56 21.704 5.128 -20.441 1.00 0.00 C ATOM 1087 C VAL A 56 23.210 4.984 -20.178 1.00 0.00 C ATOM 1088 O VAL A 56 23.868 4.126 -20.758 1.00 0.00 O ATOM 1089 CB VAL A 56 21.010 3.798 -20.152 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.138 3.470 -18.662 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.529 3.903 -20.523 1.00 0.00 C ATOM 0 H VAL A 56 21.962 4.934 -22.557 1.00 0.00 H new ATOM 0 HA VAL A 56 21.293 5.901 -19.792 1.00 0.00 H new ATOM 0 HB VAL A 56 21.478 3.009 -20.741 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.643 2.521 -18.454 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.192 3.395 -18.395 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.670 4.260 -18.074 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.034 2.954 -20.317 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.061 4.692 -19.934 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.435 4.138 -21.583 1.00 0.00 H new ATOM 1092 N ILE A 57 23.773 5.794 -19.308 1.00 0.00 N ATOM 1093 CA ILE A 57 25.235 5.672 -19.027 1.00 0.00 C ATOM 1094 C ILE A 57 25.443 4.674 -17.882 1.00 0.00 C ATOM 1095 O ILE A 57 24.720 4.703 -16.888 1.00 0.00 O ATOM 1096 CB ILE A 57 25.810 7.034 -18.630 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.505 8.058 -19.727 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.325 6.916 -18.453 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.278 9.432 -19.094 1.00 0.00 C ATOM 0 H ILE A 57 23.287 6.525 -18.788 1.00 0.00 H new ATOM 0 HA ILE A 57 25.747 5.321 -19.923 1.00 0.00 H new ATOM 0 HB ILE A 57 25.357 7.359 -17.693 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.332 8.105 -20.436 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.621 7.754 -20.288 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.735 7.886 -18.170 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.544 6.188 -17.672 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.777 6.590 -19.390 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.061 10.161 -19.875 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.437 9.380 -18.403 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.174 9.736 -18.553 1.00 0.00 H new ATOM 1100 N PHE A 58 26.406 3.785 -17.996 1.00 0.00 N ATOM 1101 CA PHE A 58 26.633 2.798 -16.904 1.00 0.00 C ATOM 1102 C PHE A 58 28.012 3.037 -16.276 1.00 0.00 C ATOM 1103 O PHE A 58 28.995 3.264 -16.980 1.00 0.00 O ATOM 1104 CB PHE A 58 26.575 1.380 -17.473 1.00 0.00 C ATOM 1105 CG PHE A 58 25.225 1.147 -18.104 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.164 0.656 -17.333 1.00 0.00 C ATOM 1107 CD2 PHE A 58 25.034 1.422 -19.462 1.00 0.00 C ATOM 1108 CE1 PHE A 58 22.913 0.441 -17.922 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.783 1.208 -20.051 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.723 0.717 -19.281 1.00 0.00 C ATOM 0 H PHE A 58 27.036 3.706 -18.794 1.00 0.00 H new ATOM 0 HA PHE A 58 25.860 2.917 -16.145 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.363 1.241 -18.213 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.749 0.651 -16.681 1.00 0.00 H new ATOM 0 HD1 PHE A 58 24.311 0.443 -16.284 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.853 1.800 -20.056 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.094 0.062 -17.328 1.00 0.00 H new ATOM 0 HE2 PHE A 58 23.636 1.422 -21.099 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.758 0.551 -19.736 1.00 0.00 H new ATOM 1111 N LYS A 59 28.115 2.990 -14.963 1.00 0.00 N ATOM 1112 CA LYS A 59 29.447 3.216 -14.307 1.00 0.00 C ATOM 1113 C LYS A 59 30.511 2.311 -14.956 1.00 0.00 C ATOM 1114 O LYS A 59 31.654 2.722 -15.145 1.00 0.00 O ATOM 1115 CB LYS A 59 29.365 2.896 -12.809 1.00 0.00 C ATOM 1116 CG LYS A 59 30.555 3.531 -12.087 1.00 0.00 C ATOM 1117 CD LYS A 59 31.752 2.581 -12.142 1.00 0.00 C ATOM 1118 CE LYS A 59 32.587 2.736 -10.870 1.00 0.00 C ATOM 1119 NZ LYS A 59 33.651 1.692 -10.841 1.00 0.00 N ATOM 0 H LYS A 59 27.341 2.807 -14.324 1.00 0.00 H new ATOM 0 HA LYS A 59 29.723 4.262 -14.438 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.430 3.275 -12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.367 1.817 -12.656 1.00 0.00 H new ATOM 0 HG2 LYS A 59 30.811 4.483 -12.553 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.294 3.744 -11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 59 31.408 1.551 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 59 32.362 2.798 -13.019 1.00 0.00 H new ATOM 0 HE2 LYS A 59 33.036 3.729 -10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 59 31.949 2.645 -9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 34.218 1.798 -9.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 33.213 0.749 -10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 34.266 1.799 -11.673 1.00 0.00 H new ATOM 1120 N GLU A 60 30.163 1.088 -15.301 1.00 0.00 N ATOM 1121 CA GLU A 60 31.160 0.184 -15.933 1.00 0.00 C ATOM 1122 C GLU A 60 30.659 -0.244 -17.321 1.00 0.00 C ATOM 1123 O GLU A 60 29.455 -0.324 -17.558 1.00 0.00 O ATOM 1124 CB GLU A 60 31.355 -1.056 -15.056 1.00 0.00 C ATOM 1125 CG GLU A 60 32.730 -1.668 -15.336 1.00 0.00 C ATOM 1126 CD GLU A 60 33.221 -2.412 -14.093 1.00 0.00 C ATOM 1127 OE1 GLU A 60 33.574 -1.751 -13.131 1.00 0.00 O ATOM 1128 OE2 GLU A 60 33.237 -3.632 -14.125 1.00 0.00 O ATOM 0 H GLU A 60 29.234 0.687 -15.169 1.00 0.00 H new ATOM 0 HA GLU A 60 32.110 0.709 -16.036 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.273 -0.786 -14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 60 30.572 -1.786 -15.260 1.00 0.00 H new ATOM 0 HG2 GLU A 60 32.670 -2.352 -16.182 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.439 -0.886 -15.608 1.00 0.00 H new ATOM 1129 N VAL A 61 31.553 -0.524 -18.246 1.00 0.00 N ATOM 1130 CA VAL A 61 31.102 -0.948 -19.612 1.00 0.00 C ATOM 1131 C VAL A 61 30.409 -2.316 -19.530 1.00 0.00 C ATOM 1132 O VAL A 61 29.425 -2.563 -20.225 1.00 0.00 O ATOM 1133 CB VAL A 61 32.298 -1.047 -20.567 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.799 -1.347 -21.983 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.061 0.280 -20.569 1.00 0.00 C ATOM 0 H VAL A 61 32.563 -0.478 -18.115 1.00 0.00 H new ATOM 0 HA VAL A 61 30.404 -0.202 -19.991 1.00 0.00 H new ATOM 0 HB VAL A 61 32.959 -1.848 -20.236 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.649 -1.417 -22.661 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.255 -2.291 -21.985 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.137 -0.546 -22.313 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.911 0.210 -21.248 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.398 1.080 -20.899 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.418 0.496 -19.562 1.00 0.00 H new ATOM 1136 N SER A 62 30.898 -3.216 -18.704 1.00 0.00 N ATOM 1137 CA SER A 62 30.249 -4.564 -18.602 1.00 0.00 C ATOM 1138 C SER A 62 28.794 -4.415 -18.122 1.00 0.00 C ATOM 1139 O SER A 62 27.921 -5.169 -18.542 1.00 0.00 O ATOM 1140 CB SER A 62 31.017 -5.454 -17.615 1.00 0.00 C ATOM 1141 OG SER A 62 30.122 -6.385 -17.021 1.00 0.00 O ATOM 0 H SER A 62 31.710 -3.076 -18.103 1.00 0.00 H new ATOM 0 HA SER A 62 30.262 -5.027 -19.589 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.818 -5.982 -18.132 1.00 0.00 H new ATOM 0 HB3 SER A 62 31.485 -4.841 -16.845 1.00 0.00 H new ATOM 0 HG SER A 62 30.612 -6.954 -16.392 1.00 0.00 H new ATOM 1142 N SER A 63 28.507 -3.471 -17.249 1.00 0.00 N ATOM 1143 CA SER A 63 27.093 -3.313 -16.763 1.00 0.00 C ATOM 1144 C SER A 63 26.145 -3.095 -17.956 1.00 0.00 C ATOM 1145 O SER A 63 25.018 -3.594 -17.961 1.00 0.00 O ATOM 1146 CB SER A 63 26.989 -2.113 -15.813 1.00 0.00 C ATOM 1147 OG SER A 63 27.864 -2.308 -14.711 1.00 0.00 O ATOM 0 H SER A 63 29.180 -2.812 -16.857 1.00 0.00 H new ATOM 0 HA SER A 63 26.808 -4.221 -16.232 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.248 -1.194 -16.340 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.963 -2.001 -15.462 1.00 0.00 H new ATOM 0 HG SER A 63 27.801 -1.542 -14.103 1.00 0.00 H new ATOM 1148 N ALA A 64 26.566 -2.371 -18.974 1.00 0.00 N ATOM 1149 CA ALA A 64 25.667 -2.149 -20.148 1.00 0.00 C ATOM 1150 C ALA A 64 25.627 -3.416 -21.014 1.00 0.00 C ATOM 1151 O ALA A 64 24.617 -3.701 -21.653 1.00 0.00 O ATOM 1152 CB ALA A 64 26.172 -0.968 -20.993 1.00 0.00 C ATOM 0 H ALA A 64 27.484 -1.931 -19.038 1.00 0.00 H new ATOM 0 HA ALA A 64 24.665 -1.921 -19.784 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.507 -0.819 -21.844 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.189 -0.065 -20.383 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.179 -1.182 -21.352 1.00 0.00 H new ATOM 1153 N THR A 65 26.697 -4.183 -21.059 1.00 0.00 N ATOM 1154 CA THR A 65 26.681 -5.419 -21.899 1.00 0.00 C ATOM 1155 C THR A 65 25.558 -6.357 -21.422 1.00 0.00 C ATOM 1156 O THR A 65 24.869 -6.975 -22.233 1.00 0.00 O ATOM 1157 CB THR A 65 28.032 -6.153 -21.801 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.098 -5.209 -21.648 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.253 -6.996 -23.065 1.00 0.00 C ATOM 0 H THR A 65 27.567 -4.006 -20.556 1.00 0.00 H new ATOM 0 HA THR A 65 26.506 -5.132 -22.936 1.00 0.00 H new ATOM 0 HB THR A 65 28.019 -6.808 -20.930 1.00 0.00 H new ATOM 0 HG1 THR A 65 29.958 -5.668 -21.745 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.209 -7.514 -22.994 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.450 -7.727 -23.160 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.257 -6.346 -23.940 1.00 0.00 H new ATOM 1160 N ASN A 66 25.354 -6.479 -20.126 1.00 0.00 N ATOM 1161 CA ASN A 66 24.269 -7.383 -19.624 1.00 0.00 C ATOM 1162 C ASN A 66 22.900 -6.705 -19.793 1.00 0.00 C ATOM 1163 O ASN A 66 21.908 -7.369 -20.080 1.00 0.00 O ATOM 1164 CB ASN A 66 24.495 -7.708 -18.142 1.00 0.00 C ATOM 1165 CG ASN A 66 24.145 -9.178 -17.880 1.00 0.00 C ATOM 1166 OD1 ASN A 66 23.117 -9.474 -17.273 1.00 0.00 O ATOM 1167 ND2 ASN A 66 24.943 -10.127 -18.306 1.00 0.00 N ATOM 0 H ASN A 66 25.888 -5.996 -19.403 1.00 0.00 H new ATOM 0 HA ASN A 66 24.291 -8.307 -20.202 1.00 0.00 H new ATOM 0 HB2 ASN A 66 25.533 -7.517 -17.871 1.00 0.00 H new ATOM 0 HB3 ASN A 66 23.879 -7.060 -17.519 1.00 0.00 H new ATOM 0 HD21 ASN A 66 24.710 -11.105 -18.134 1.00 0.00 H new ATOM 0 HD22 ASN A 66 25.797 -9.887 -18.810 1.00 0.00 H new ATOM 1168 N ALA A 67 22.813 -5.400 -19.626 1.00 0.00 N ATOM 1169 CA ALA A 67 21.485 -4.721 -19.794 1.00 0.00 C ATOM 1170 C ALA A 67 21.074 -4.654 -21.284 1.00 0.00 C ATOM 1171 O ALA A 67 19.937 -4.299 -21.592 1.00 0.00 O ATOM 1172 CB ALA A 67 21.551 -3.292 -19.236 1.00 0.00 C ATOM 0 H ALA A 67 23.591 -4.787 -19.385 1.00 0.00 H new ATOM 0 HA ALA A 67 20.744 -5.305 -19.248 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.583 -2.807 -19.362 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.804 -3.327 -18.176 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.313 -2.727 -19.773 1.00 0.00 H new ATOM 1173 N LEU A 68 21.955 -4.964 -22.221 1.00 0.00 N ATOM 1174 CA LEU A 68 21.567 -4.882 -23.663 1.00 0.00 C ATOM 1175 C LEU A 68 21.227 -6.278 -24.214 1.00 0.00 C ATOM 1176 O LEU A 68 20.264 -6.436 -24.964 1.00 0.00 O ATOM 1177 CB LEU A 68 22.730 -4.289 -24.464 1.00 0.00 C ATOM 1178 CG LEU A 68 22.225 -3.778 -25.823 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.736 -2.355 -26.062 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.736 -4.693 -26.941 1.00 0.00 C ATOM 0 H LEU A 68 22.913 -5.266 -22.044 1.00 0.00 H new ATOM 0 HA LEU A 68 20.686 -4.247 -23.755 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.188 -3.472 -23.906 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.502 -5.044 -24.614 1.00 0.00 H new ATOM 0 HG LEU A 68 21.135 -3.778 -25.821 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.376 -1.996 -27.026 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.370 -1.700 -25.271 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.826 -2.354 -26.059 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.376 -4.328 -27.903 1.00 0.00 H new ATOM 0 HD22 LEU A 68 23.826 -4.696 -26.939 1.00 0.00 H new ATOM 0 HD23 LEU A 68 22.370 -5.707 -26.778 1.00 0.00 H new ATOM 1181 N ARG A 69 21.991 -7.296 -23.875 1.00 0.00 N ATOM 1182 CA ARG A 69 21.685 -8.664 -24.410 1.00 0.00 C ATOM 1183 C ARG A 69 20.452 -9.238 -23.699 1.00 0.00 C ATOM 1184 O ARG A 69 19.581 -9.835 -24.330 1.00 0.00 O ATOM 1185 CB ARG A 69 22.879 -9.601 -24.189 1.00 0.00 C ATOM 1186 CG ARG A 69 24.123 -9.007 -24.855 1.00 0.00 C ATOM 1187 CD ARG A 69 25.376 -9.449 -24.097 1.00 0.00 C ATOM 1188 NE ARG A 69 26.461 -9.759 -25.070 1.00 0.00 N ATOM 1189 CZ ARG A 69 27.012 -10.943 -25.078 1.00 0.00 C ATOM 1190 NH1 ARG A 69 26.265 -12.010 -25.151 1.00 0.00 N ATOM 1191 NH2 ARG A 69 28.310 -11.058 -25.015 1.00 0.00 N ATOM 0 H ARG A 69 22.802 -7.239 -23.259 1.00 0.00 H new ATOM 0 HA ARG A 69 21.487 -8.583 -25.479 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.055 -9.738 -23.122 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.665 -10.585 -24.606 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.181 -9.332 -25.894 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.057 -7.919 -24.865 1.00 0.00 H new ATOM 0 HD2 ARG A 69 25.698 -8.662 -23.415 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.156 -10.327 -23.489 1.00 0.00 H new ATOM 0 HE ARG A 69 26.773 -9.047 -25.730 1.00 0.00 H new ATOM 0 HH11 ARG A 69 25.250 -11.920 -25.202 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.696 -12.935 -25.157 1.00 0.00 H new ATOM 0 HH21 ARG A 69 28.894 -10.223 -24.960 1.00 0.00 H new ATOM 0 HH22 ARG A 69 28.741 -11.982 -25.021 1.00 0.00 H new ATOM 1192 N SER A 70 20.356 -9.075 -22.401 1.00 0.00 N ATOM 1193 CA SER A 70 19.167 -9.621 -21.665 1.00 0.00 C ATOM 1194 C SER A 70 17.890 -8.910 -22.141 1.00 0.00 C ATOM 1195 O SER A 70 16.837 -9.535 -22.268 1.00 0.00 O ATOM 1196 CB SER A 70 19.329 -9.406 -20.155 1.00 0.00 C ATOM 1197 OG SER A 70 19.873 -10.582 -19.571 1.00 0.00 O ATOM 0 H SER A 70 21.042 -8.592 -21.822 1.00 0.00 H new ATOM 0 HA SER A 70 19.093 -10.689 -21.869 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.983 -8.555 -19.965 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.365 -9.174 -19.703 1.00 0.00 H new ATOM 0 HG SER A 70 19.689 -10.584 -18.608 1.00 0.00 H new ATOM 1198 N MET A 71 17.948 -7.621 -22.406 1.00 0.00 N ATOM 1199 CA MET A 71 16.725 -6.902 -22.868 1.00 0.00 C ATOM 1200 C MET A 71 16.819 -6.626 -24.377 1.00 0.00 C ATOM 1201 O MET A 71 16.366 -5.584 -24.851 1.00 0.00 O ATOM 1202 CB MET A 71 16.601 -5.576 -22.115 1.00 0.00 C ATOM 1203 CG MET A 71 15.986 -5.824 -20.737 1.00 0.00 C ATOM 1204 SD MET A 71 15.278 -4.283 -20.107 1.00 0.00 S ATOM 1205 CE MET A 71 13.544 -4.802 -20.128 1.00 0.00 C ATOM 0 H MET A 71 18.786 -7.045 -22.321 1.00 0.00 H new ATOM 0 HA MET A 71 15.849 -7.520 -22.671 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.582 -5.114 -22.009 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.981 -4.881 -22.681 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.214 -6.591 -20.804 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.746 -6.196 -20.049 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.916 -3.986 -19.770 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.255 -5.063 -21.146 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.416 -5.670 -19.481 1.00 0.00 H new ATOM 1206 N GLN A 72 17.387 -7.530 -25.149 1.00 0.00 N ATOM 1207 CA GLN A 72 17.484 -7.290 -26.622 1.00 0.00 C ATOM 1208 C GLN A 72 16.154 -7.678 -27.282 1.00 0.00 C ATOM 1209 O GLN A 72 15.934 -8.840 -27.621 1.00 0.00 O ATOM 1210 CB GLN A 72 18.620 -8.129 -27.224 1.00 0.00 C ATOM 1211 CG GLN A 72 18.752 -7.827 -28.720 1.00 0.00 C ATOM 1212 CD GLN A 72 20.236 -7.749 -29.100 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.802 -8.720 -29.596 1.00 0.00 O ATOM 1214 NE2 GLN A 72 20.906 -6.642 -28.893 1.00 0.00 N ATOM 0 H GLN A 72 17.782 -8.412 -24.823 1.00 0.00 H new ATOM 0 HA GLN A 72 17.694 -6.236 -26.801 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.558 -7.907 -26.715 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.420 -9.190 -27.074 1.00 0.00 H new ATOM 0 HG2 GLN A 72 18.257 -8.604 -29.303 1.00 0.00 H new ATOM 0 HG3 GLN A 72 18.256 -6.886 -28.957 1.00 0.00 H new ATOM 0 HE21 GLN A 72 20.440 -5.833 -28.481 1.00 0.00 H new ATOM 0 HE22 GLN A 72 21.893 -6.589 -29.143 1.00 0.00 H new ATOM 1215 N GLY A 73 15.254 -6.736 -27.467 1.00 0.00 N ATOM 1216 CA GLY A 73 13.944 -7.070 -28.096 1.00 0.00 C ATOM 1217 C GLY A 73 12.954 -7.479 -26.998 1.00 0.00 C ATOM 1218 O GLY A 73 12.353 -8.551 -27.060 1.00 0.00 O ATOM 0 H GLY A 73 15.375 -5.757 -27.209 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.561 -6.211 -28.648 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.067 -7.881 -28.814 1.00 0.00 H new ATOM 1219 N PHE A 74 12.772 -6.654 -25.988 1.00 0.00 N ATOM 1220 CA PHE A 74 11.825 -7.015 -24.894 1.00 0.00 C ATOM 1221 C PHE A 74 10.786 -5.895 -24.719 1.00 0.00 C ATOM 1222 O PHE A 74 10.982 -4.793 -25.226 1.00 0.00 O ATOM 1223 CB PHE A 74 12.604 -7.198 -23.590 1.00 0.00 C ATOM 1224 CG PHE A 74 13.011 -8.645 -23.448 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.885 -9.220 -24.377 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.514 -9.410 -22.386 1.00 0.00 C ATOM 1227 CE1 PHE A 74 14.262 -10.562 -24.246 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.892 -10.752 -22.254 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.766 -11.328 -23.184 1.00 0.00 C ATOM 0 H PHE A 74 13.238 -5.753 -25.880 1.00 0.00 H new ATOM 0 HA PHE A 74 11.314 -7.944 -25.148 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.487 -6.559 -23.588 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.990 -6.896 -22.741 1.00 0.00 H new ATOM 0 HD1 PHE A 74 14.269 -8.629 -25.195 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.840 -8.966 -21.669 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.935 -11.006 -24.964 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.509 -11.343 -21.435 1.00 0.00 H new ATOM 0 HZ PHE A 74 14.058 -12.363 -23.082 1.00 0.00 H new ATOM 1230 N PRO A 75 9.704 -6.184 -24.014 1.00 0.00 N ATOM 1231 CA PRO A 75 8.640 -5.190 -23.781 1.00 0.00 C ATOM 1232 C PRO A 75 9.054 -4.203 -22.677 1.00 0.00 C ATOM 1233 O PRO A 75 9.475 -4.608 -21.595 1.00 0.00 O ATOM 1234 CB PRO A 75 7.444 -6.036 -23.333 1.00 0.00 C ATOM 1235 CG PRO A 75 8.024 -7.363 -22.789 1.00 0.00 C ATOM 1236 CD PRO A 75 9.436 -7.504 -23.388 1.00 0.00 C ATOM 0 HA PRO A 75 8.423 -4.586 -24.662 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.870 -5.519 -22.564 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.766 -6.222 -24.166 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.065 -7.351 -21.700 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.396 -8.207 -23.075 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.173 -7.736 -22.619 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.478 -8.308 -24.123 1.00 0.00 H new ATOM 1237 N PHE A 76 8.938 -2.915 -22.922 1.00 0.00 N ATOM 1238 CA PHE A 76 9.321 -1.921 -21.878 1.00 0.00 C ATOM 1239 C PHE A 76 8.118 -1.009 -21.593 1.00 0.00 C ATOM 1240 O PHE A 76 7.626 -0.952 -20.467 1.00 0.00 O ATOM 1241 CB PHE A 76 10.506 -1.084 -22.377 1.00 0.00 C ATOM 1242 CG PHE A 76 10.960 -0.121 -21.298 1.00 0.00 C ATOM 1243 CD1 PHE A 76 11.101 -0.556 -19.972 1.00 0.00 C ATOM 1244 CD2 PHE A 76 11.245 1.210 -21.629 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.523 0.339 -18.982 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.666 2.104 -20.637 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.805 1.668 -19.314 1.00 0.00 C ATOM 0 H PHE A 76 8.596 -2.517 -23.797 1.00 0.00 H new ATOM 0 HA PHE A 76 9.613 -2.436 -20.963 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.330 -1.739 -22.659 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.218 -0.530 -23.271 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.884 -1.582 -19.715 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.140 1.547 -22.650 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.631 0.003 -17.961 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.884 3.130 -20.893 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.130 2.358 -18.549 1.00 0.00 H new ATOM 1248 N TYR A 77 7.623 -0.301 -22.586 1.00 0.00 N ATOM 1249 CA TYR A 77 6.450 0.584 -22.356 1.00 0.00 C ATOM 1250 C TYR A 77 5.248 0.040 -23.143 1.00 0.00 C ATOM 1251 O TYR A 77 4.767 0.676 -24.080 1.00 0.00 O ATOM 1252 CB TYR A 77 6.777 2.002 -22.830 1.00 0.00 C ATOM 1253 CG TYR A 77 7.202 2.841 -21.649 1.00 0.00 C ATOM 1254 CD1 TYR A 77 8.310 2.462 -20.888 1.00 0.00 C ATOM 1255 CD2 TYR A 77 6.488 3.996 -21.319 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.707 3.238 -19.795 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.883 4.777 -20.224 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.994 4.397 -19.462 1.00 0.00 C ATOM 1259 OH TYR A 77 8.386 5.161 -18.383 1.00 0.00 O ATOM 0 H TYR A 77 7.985 -0.303 -23.540 1.00 0.00 H new ATOM 0 HA TYR A 77 6.211 0.609 -21.293 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.572 1.974 -23.575 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.906 2.446 -23.311 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.861 1.569 -21.144 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.631 4.287 -21.908 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.564 2.944 -19.207 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.331 5.670 -19.969 1.00 0.00 H new ATOM 0 HH TYR A 77 7.611 5.340 -17.810 1.00 0.00 H new ATOM 1260 N ASP A 78 4.752 -1.127 -22.791 1.00 0.00 N ATOM 1261 CA ASP A 78 3.590 -1.698 -23.530 1.00 0.00 C ATOM 1262 C ASP A 78 3.948 -1.842 -25.018 1.00 0.00 C ATOM 1263 O ASP A 78 3.128 -1.568 -25.891 1.00 0.00 O ATOM 1264 CB ASP A 78 2.384 -0.767 -23.383 1.00 0.00 C ATOM 1265 CG ASP A 78 1.609 -1.133 -22.116 1.00 0.00 C ATOM 1266 OD1 ASP A 78 2.177 -1.016 -21.043 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.460 -1.525 -22.241 1.00 0.00 O ATOM 0 H ASP A 78 5.105 -1.702 -22.026 1.00 0.00 H new ATOM 0 HA ASP A 78 3.345 -2.678 -23.119 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.716 0.270 -23.332 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.737 -0.852 -24.256 1.00 0.00 H new ATOM 1268 N LYS A 79 5.157 -2.266 -25.330 1.00 0.00 N ATOM 1269 CA LYS A 79 5.541 -2.418 -26.770 1.00 0.00 C ATOM 1270 C LYS A 79 6.925 -3.093 -26.879 1.00 0.00 C ATOM 1271 O LYS A 79 7.733 -2.983 -25.959 1.00 0.00 O ATOM 1272 CB LYS A 79 5.594 -1.031 -27.429 1.00 0.00 C ATOM 1273 CG LYS A 79 4.460 -0.894 -28.449 1.00 0.00 C ATOM 1274 CD LYS A 79 4.179 0.588 -28.704 1.00 0.00 C ATOM 1275 CE LYS A 79 5.183 1.132 -29.724 1.00 0.00 C ATOM 1276 NZ LYS A 79 4.588 1.068 -31.088 1.00 0.00 N ATOM 0 H LYS A 79 5.883 -2.510 -24.656 1.00 0.00 H new ATOM 0 HA LYS A 79 4.802 -3.039 -27.276 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.507 -0.254 -26.669 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.556 -0.889 -27.921 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.733 -1.389 -29.381 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.561 -1.387 -28.078 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.162 0.717 -29.075 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.252 1.148 -27.772 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.446 2.161 -29.478 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.104 0.550 -29.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.269 1.437 -31.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.358 0.081 -31.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.721 1.641 -31.116 1.00 0.00 H new ATOM 1277 N PRO A 80 7.181 -3.769 -27.988 1.00 0.00 N ATOM 1278 CA PRO A 80 8.470 -4.452 -28.201 1.00 0.00 C ATOM 1279 C PRO A 80 9.550 -3.433 -28.589 1.00 0.00 C ATOM 1280 O PRO A 80 9.278 -2.471 -29.307 1.00 0.00 O ATOM 1281 CB PRO A 80 8.185 -5.416 -29.357 1.00 0.00 C ATOM 1282 CG PRO A 80 6.958 -4.850 -30.106 1.00 0.00 C ATOM 1283 CD PRO A 80 6.230 -3.917 -29.120 1.00 0.00 C ATOM 0 HA PRO A 80 8.837 -4.965 -27.312 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.046 -5.490 -30.022 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.983 -6.420 -28.984 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.267 -4.305 -30.998 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.300 -5.655 -30.435 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.002 -2.954 -29.577 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.283 -4.346 -28.791 1.00 0.00 H new ATOM 1284 N MET A 81 10.771 -3.612 -28.130 1.00 0.00 N ATOM 1285 CA MET A 81 11.845 -2.635 -28.482 1.00 0.00 C ATOM 1286 C MET A 81 13.210 -3.343 -28.515 1.00 0.00 C ATOM 1287 O MET A 81 13.500 -4.197 -27.677 1.00 0.00 O ATOM 1288 CB MET A 81 11.878 -1.515 -27.438 1.00 0.00 C ATOM 1289 CG MET A 81 11.952 -2.118 -26.032 1.00 0.00 C ATOM 1290 SD MET A 81 12.772 -0.952 -24.917 1.00 0.00 S ATOM 1291 CE MET A 81 13.812 -2.157 -24.057 1.00 0.00 C ATOM 0 H MET A 81 11.063 -4.386 -27.533 1.00 0.00 H new ATOM 0 HA MET A 81 11.636 -2.214 -29.466 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.738 -0.868 -27.612 1.00 0.00 H new ATOM 0 HB3 MET A 81 10.988 -0.893 -27.530 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.949 -2.342 -25.668 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.500 -3.060 -26.057 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.416 -1.647 -23.307 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.181 -2.900 -23.570 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.466 -2.651 -24.775 1.00 0.00 H new ATOM 1292 N ARG A 82 14.060 -3.001 -29.461 1.00 0.00 N ATOM 1293 CA ARG A 82 15.400 -3.651 -29.530 1.00 0.00 C ATOM 1294 C ARG A 82 16.445 -2.700 -28.934 1.00 0.00 C ATOM 1295 O ARG A 82 16.318 -1.481 -29.040 1.00 0.00 O ATOM 1296 CB ARG A 82 15.752 -3.949 -30.989 1.00 0.00 C ATOM 1297 CG ARG A 82 14.917 -5.130 -31.487 1.00 0.00 C ATOM 1298 CD ARG A 82 14.673 -4.986 -32.989 1.00 0.00 C ATOM 1299 NE ARG A 82 14.571 -6.339 -33.607 1.00 0.00 N ATOM 1300 CZ ARG A 82 13.400 -6.853 -33.861 1.00 0.00 C ATOM 1301 NH1 ARG A 82 12.798 -6.580 -34.986 1.00 0.00 N ATOM 1302 NH2 ARG A 82 12.829 -7.639 -32.990 1.00 0.00 N ATOM 0 H ARG A 82 13.879 -2.303 -30.182 1.00 0.00 H new ATOM 0 HA ARG A 82 15.386 -4.585 -28.968 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.563 -3.071 -31.606 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.814 -4.178 -31.078 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.434 -6.067 -31.280 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.966 -5.166 -30.955 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.757 -4.423 -33.167 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.487 -4.425 -33.448 1.00 0.00 H new ATOM 0 HE ARG A 82 15.417 -6.862 -33.831 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.244 -5.965 -35.667 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.882 -6.982 -35.185 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.299 -7.852 -32.110 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.913 -8.041 -33.189 1.00 0.00 H new ATOM 1303 N ILE A 83 17.473 -3.222 -28.300 1.00 0.00 N ATOM 1304 CA ILE A 83 18.503 -2.326 -27.700 1.00 0.00 C ATOM 1305 C ILE A 83 19.814 -2.423 -28.495 1.00 0.00 C ATOM 1306 O ILE A 83 20.228 -3.506 -28.906 1.00 0.00 O ATOM 1307 CB ILE A 83 18.758 -2.738 -26.250 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.433 -2.751 -25.482 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.715 -1.737 -25.597 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.667 -3.286 -24.068 1.00 0.00 C ATOM 0 H ILE A 83 17.637 -4.221 -28.176 1.00 0.00 H new ATOM 0 HA ILE A 83 18.140 -1.299 -27.731 1.00 0.00 H new ATOM 0 HB ILE A 83 19.201 -3.734 -26.228 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.017 -1.745 -25.437 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.705 -3.374 -26.002 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.898 -2.030 -24.563 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.658 -1.726 -26.143 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.271 -0.742 -25.619 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.724 -3.295 -23.522 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.064 -4.300 -24.124 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.380 -2.645 -23.550 1.00 0.00 H new ATOM 1311 N GLN A 84 20.483 -1.311 -28.718 1.00 0.00 N ATOM 1312 CA GLN A 84 21.766 -1.344 -29.476 1.00 0.00 C ATOM 1313 C GLN A 84 22.751 -0.362 -28.826 1.00 0.00 C ATOM 1314 O GLN A 84 22.362 0.725 -28.408 1.00 0.00 O ATOM 1315 CB GLN A 84 21.512 -0.926 -30.926 1.00 0.00 C ATOM 1316 CG GLN A 84 20.801 0.431 -30.948 1.00 0.00 C ATOM 1317 CD GLN A 84 20.601 0.886 -32.399 1.00 0.00 C ATOM 1318 OE1 GLN A 84 21.217 0.342 -33.313 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.768 1.863 -32.669 1.00 0.00 N ATOM 0 H GLN A 84 20.190 -0.385 -28.405 1.00 0.00 H new ATOM 0 HA GLN A 84 22.181 -2.352 -29.459 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.455 -0.863 -31.468 1.00 0.00 H new ATOM 0 HB3 GLN A 84 20.903 -1.676 -31.431 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.837 0.356 -30.444 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.389 1.169 -30.403 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.254 2.318 -31.915 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.634 2.167 -33.633 1.00 0.00 H new ATOM 1320 N TYR A 85 24.017 -0.713 -28.718 1.00 0.00 N ATOM 1321 CA TYR A 85 25.001 0.226 -28.075 1.00 0.00 C ATOM 1322 C TYR A 85 24.892 1.622 -28.716 1.00 0.00 C ATOM 1323 O TYR A 85 24.138 1.825 -29.665 1.00 0.00 O ATOM 1324 CB TYR A 85 26.434 -0.294 -28.249 1.00 0.00 C ATOM 1325 CG TYR A 85 26.668 -1.474 -27.333 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.329 -1.396 -25.972 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.228 -2.649 -27.847 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.552 -2.493 -25.133 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.449 -3.745 -27.007 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.113 -3.668 -25.651 1.00 0.00 C ATOM 1331 OH TYR A 85 27.335 -4.750 -24.826 1.00 0.00 O ATOM 0 H TYR A 85 24.407 -1.598 -29.043 1.00 0.00 H new ATOM 0 HA TYR A 85 24.769 0.289 -27.012 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.600 -0.588 -29.285 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.148 0.499 -28.025 1.00 0.00 H new ATOM 0 HD1 TYR A 85 25.897 -0.490 -25.574 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.490 -2.709 -28.893 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.292 -2.434 -24.086 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.879 -4.652 -27.405 1.00 0.00 H new ATOM 0 HH TYR A 85 26.801 -5.511 -25.134 1.00 0.00 H new ATOM 1332 N ALA A 86 25.631 2.592 -28.217 1.00 0.00 N ATOM 1333 CA ALA A 86 25.556 3.961 -28.804 1.00 0.00 C ATOM 1334 C ALA A 86 26.688 4.144 -29.824 1.00 0.00 C ATOM 1335 O ALA A 86 27.639 3.364 -29.854 1.00 0.00 O ATOM 1336 CB ALA A 86 25.694 5.008 -27.695 1.00 0.00 C ATOM 0 H ALA A 86 26.276 2.489 -27.434 1.00 0.00 H new ATOM 0 HA ALA A 86 24.594 4.087 -29.301 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.639 6.007 -28.128 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.888 4.881 -26.972 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.654 4.883 -27.194 1.00 0.00 H new ATOM 1337 N LYS A 87 26.616 5.158 -30.660 1.00 0.00 N ATOM 1338 CA LYS A 87 27.707 5.368 -31.665 1.00 0.00 C ATOM 1339 C LYS A 87 28.977 5.836 -30.940 1.00 0.00 C ATOM 1340 O LYS A 87 30.075 5.361 -31.224 1.00 0.00 O ATOM 1341 CB LYS A 87 27.293 6.433 -32.689 1.00 0.00 C ATOM 1342 CG LYS A 87 26.324 5.823 -33.702 1.00 0.00 C ATOM 1343 CD LYS A 87 26.043 6.836 -34.814 1.00 0.00 C ATOM 1344 CE LYS A 87 24.605 6.670 -35.306 1.00 0.00 C ATOM 1345 NZ LYS A 87 24.559 5.613 -36.356 1.00 0.00 N ATOM 0 H LYS A 87 25.858 5.840 -30.689 1.00 0.00 H new ATOM 0 HA LYS A 87 27.894 4.429 -32.185 1.00 0.00 H new ATOM 0 HB2 LYS A 87 26.822 7.275 -32.182 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.174 6.821 -33.201 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.748 4.912 -34.124 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.394 5.542 -33.208 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.197 7.850 -34.444 1.00 0.00 H new ATOM 0 HD3 LYS A 87 26.740 6.689 -35.639 1.00 0.00 H new ATOM 0 HE2 LYS A 87 23.954 6.401 -34.475 1.00 0.00 H new ATOM 0 HE3 LYS A 87 24.235 7.613 -35.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 23.581 5.499 -36.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 25.168 5.888 -37.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 24.895 4.713 -35.958 1.00 0.00 H new ATOM 1346 N THR A 88 28.855 6.759 -30.009 1.00 0.00 N ATOM 1347 CA THR A 88 30.057 7.244 -29.281 1.00 0.00 C ATOM 1348 C THR A 88 29.875 7.015 -27.774 1.00 0.00 C ATOM 1349 O THR A 88 28.845 6.506 -27.336 1.00 0.00 O ATOM 1350 CB THR A 88 30.242 8.739 -29.551 1.00 0.00 C ATOM 1351 OG1 THR A 88 29.005 9.410 -29.356 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.712 8.938 -30.989 1.00 0.00 C ATOM 0 H THR A 88 27.974 7.191 -29.729 1.00 0.00 H new ATOM 0 HA THR A 88 30.935 6.698 -29.625 1.00 0.00 H new ATOM 0 HB THR A 88 30.986 9.146 -28.867 1.00 0.00 H new ATOM 0 HG1 THR A 88 29.122 10.368 -29.527 1.00 0.00 H new ATOM 0 HG21 THR A 88 30.845 10.002 -31.184 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.660 8.421 -31.137 1.00 0.00 H new ATOM 0 HG23 THR A 88 29.967 8.533 -31.674 1.00 0.00 H new ATOM 1353 N ASP A 89 30.847 7.382 -26.969 1.00 0.00 N ATOM 1354 CA ASP A 89 30.708 7.180 -25.496 1.00 0.00 C ATOM 1355 C ASP A 89 30.182 8.472 -24.854 1.00 0.00 C ATOM 1356 O ASP A 89 29.876 9.440 -25.549 1.00 0.00 O ATOM 1357 CB ASP A 89 32.070 6.825 -24.892 1.00 0.00 C ATOM 1358 CG ASP A 89 32.665 5.631 -25.639 1.00 0.00 C ATOM 1359 OD1 ASP A 89 32.953 5.776 -26.815 1.00 0.00 O ATOM 1360 OD2 ASP A 89 32.822 4.590 -25.023 1.00 0.00 O ATOM 0 H ASP A 89 31.723 7.809 -27.269 1.00 0.00 H new ATOM 0 HA ASP A 89 30.009 6.366 -25.306 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.743 7.680 -24.958 1.00 0.00 H new ATOM 0 HB3 ASP A 89 31.959 6.587 -23.834 1.00 0.00 H new ATOM 1361 N SER A 90 30.070 8.514 -23.543 1.00 0.00 N ATOM 1362 CA SER A 90 29.563 9.753 -22.882 1.00 0.00 C ATOM 1363 C SER A 90 30.747 10.571 -22.349 1.00 0.00 C ATOM 1364 O SER A 90 31.879 10.089 -22.315 1.00 0.00 O ATOM 1365 CB SER A 90 28.638 9.375 -21.724 1.00 0.00 C ATOM 1366 OG SER A 90 27.635 10.371 -21.580 1.00 0.00 O ATOM 0 H SER A 90 30.307 7.749 -22.912 1.00 0.00 H new ATOM 0 HA SER A 90 29.008 10.349 -23.607 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.179 8.405 -21.912 1.00 0.00 H new ATOM 0 HB3 SER A 90 29.211 9.283 -20.801 1.00 0.00 H new ATOM 0 HG SER A 90 27.360 10.425 -20.641 1.00 0.00 H new ATOM 1367 N ASP A 91 30.519 11.798 -21.932 1.00 0.00 N ATOM 1368 CA ASP A 91 31.641 12.627 -21.410 1.00 0.00 C ATOM 1369 C ASP A 91 31.753 12.505 -19.883 1.00 0.00 C ATOM 1370 O ASP A 91 32.825 12.741 -19.327 1.00 0.00 O ATOM 1371 CB ASP A 91 31.425 14.094 -21.786 1.00 0.00 C ATOM 1372 CG ASP A 91 32.155 14.401 -23.096 1.00 0.00 C ATOM 1373 OD1 ASP A 91 33.318 14.764 -23.031 1.00 0.00 O ATOM 1374 OD2 ASP A 91 31.540 14.266 -24.141 1.00 0.00 O ATOM 0 H ASP A 91 29.606 12.253 -21.933 1.00 0.00 H new ATOM 0 HA ASP A 91 32.566 12.263 -21.858 1.00 0.00 H new ATOM 0 HB2 ASP A 91 30.360 14.299 -21.895 1.00 0.00 H new ATOM 0 HB3 ASP A 91 31.795 14.742 -20.991 1.00 0.00 H new ATOM 1375 N ILE A 92 30.699 12.137 -19.180 1.00 0.00 N ATOM 1376 CA ILE A 92 30.833 12.007 -17.700 1.00 0.00 C ATOM 1377 C ILE A 92 31.924 10.961 -17.372 1.00 0.00 C ATOM 1378 O ILE A 92 32.537 11.028 -16.308 1.00 0.00 O ATOM 1379 CB ILE A 92 29.491 11.609 -17.067 1.00 0.00 C ATOM 1380 CG1 ILE A 92 29.003 10.281 -17.656 1.00 0.00 C ATOM 1381 CG2 ILE A 92 28.459 12.704 -17.347 1.00 0.00 C ATOM 1382 CD1 ILE A 92 29.231 9.158 -16.641 1.00 0.00 C ATOM 0 H ILE A 92 29.777 11.927 -19.562 1.00 0.00 H new ATOM 0 HA ILE A 92 31.126 12.970 -17.282 1.00 0.00 H new ATOM 0 HB ILE A 92 29.622 11.490 -15.991 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.945 10.349 -17.907 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.537 10.063 -18.581 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.504 12.427 -16.900 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.801 13.645 -16.917 1.00 0.00 H new ATOM 0 HG23 ILE A 92 28.335 12.821 -18.424 1.00 0.00 H new ATOM 0 HD11 ILE A 92 28.884 8.213 -17.060 1.00 0.00 H new ATOM 0 HD12 ILE A 92 30.294 9.085 -16.412 1.00 0.00 H new ATOM 0 HD13 ILE A 92 28.677 9.375 -15.728 1.00 0.00 H new ATOM 1383 N ILE A 93 32.225 10.023 -18.267 1.00 0.00 N ATOM 1384 CA ILE A 93 33.320 9.047 -17.962 1.00 0.00 C ATOM 1385 C ILE A 93 34.655 9.797 -18.083 1.00 0.00 C ATOM 1386 O ILE A 93 35.564 9.609 -17.279 1.00 0.00 O ATOM 1387 CB ILE A 93 33.359 7.849 -18.945 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.985 7.492 -19.553 1.00 0.00 C ATOM 1389 CG2 ILE A 93 33.892 6.627 -18.199 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.882 7.498 -18.495 1.00 0.00 C ATOM 0 H ILE A 93 31.766 9.902 -19.170 1.00 0.00 H new ATOM 0 HA ILE A 93 33.142 8.647 -16.964 1.00 0.00 H new ATOM 0 HB ILE A 93 34.003 8.143 -19.774 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.739 8.205 -20.340 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.037 6.508 -20.019 1.00 0.00 H new ATOM 0 HG21 ILE A 93 33.926 5.774 -18.876 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.895 6.836 -17.828 1.00 0.00 H new ATOM 0 HG23 ILE A 93 33.235 6.398 -17.360 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.930 7.242 -18.960 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.116 6.767 -17.721 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.812 8.489 -18.048 1.00 0.00 H new