USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=22 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 65 THR OG1 : rot -59:sc= 0.688 USER MOD Set 1.2: A 85 TYR OH : rot -153:sc= -2.84! USER MOD Set 2.1: A 45 SER OG : rot 180:sc= -0.0298 USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0.0212 USER MOD Set 3.1: A 12 TYR OH : rot 48:sc= -1.07 USER MOD Set 3.2: A 50 MET CE :methyl -178:sc= -1.63 (180deg=-1.4) USER MOD Set 3.3: A 53 GLN :FLIP amide:sc= -5.08! C(o=-8.7!,f=-7.8!) USER MOD Single : A 8 ASN : amide:sc= -2.96 K(o=-3,f=-5.5!) USER MOD Single : A 9 HIS :FLIP no HE2:sc= -5.95! F(o=-8.4,f=-5.9!) USER MOD Single : A 10 THR OG1 : rot -24:sc= -2.61! USER MOD Single : A 14 ASN : amide:sc= -0.248 K(o=-0.25,f=-0.94) USER MOD Single : A 15 ASN :FLIP amide:sc= 0.787 F(o=-0.22,f=0.79) USER MOD Single : A 17 ASN : amide:sc= -0.25 K(o=-0.25,f=-3.1!) 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 28 SER OG : rot -132:sc= 0.296 USER MOD Single : A 30 HIS : no HD1:sc= -0.845 X(o=-0.85,f=-0.58) USER MOD Single : A 34 SER OG : rot -64:sc= -0.233! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00851 USER MOD Single : A 63 SER OG : rot 160:sc= -0.483 USER MOD Single : A 66 ASN : amide:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 70 SER OG : rot 96:sc= 0.73 USER MOD Single : A 71 MET CE :methyl -147:sc= -0.113 (180deg=-0.513) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.315 F(o=-1,f=-0.32) USER MOD Single : A 77 TYR OH : rot 6:sc= -1.97! USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.131) 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 87 LYS NZ :NH3+ -161:sc= -0.0471 (180deg=-0.39) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 80:sc= -0.764 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 31.898 -2.190 -28.655 1.00 0.00 N ATOM 683 CA PRO A 7 31.593 -2.016 -27.225 1.00 0.00 C ATOM 684 C PRO A 7 31.691 -0.536 -26.830 1.00 0.00 C ATOM 685 O PRO A 7 32.760 -0.050 -26.463 1.00 0.00 O ATOM 686 CB PRO A 7 32.670 -2.843 -26.518 1.00 0.00 C ATOM 687 CG PRO A 7 33.846 -2.974 -27.514 1.00 0.00 C ATOM 688 CD PRO A 7 33.268 -2.703 -28.915 1.00 0.00 C ATOM 0 HA PRO A 7 30.583 -2.333 -26.964 1.00 0.00 H new ATOM 0 HB2 PRO A 7 32.993 -2.355 -25.598 1.00 0.00 H new ATOM 0 HB3 PRO A 7 32.286 -3.824 -26.240 1.00 0.00 H new ATOM 0 HG2 PRO A 7 34.636 -2.262 -27.276 1.00 0.00 H new ATOM 0 HG3 PRO A 7 34.288 -3.969 -27.463 1.00 0.00 H new ATOM 0 HD2 PRO A 7 33.869 -1.974 -29.459 1.00 0.00 H new ATOM 0 HD3 PRO A 7 33.245 -3.611 -29.518 1.00 0.00 H new ATOM 689 N ASN A 8 30.595 0.188 -26.883 1.00 0.00 N ATOM 690 CA ASN A 8 30.639 1.628 -26.494 1.00 0.00 C ATOM 691 C ASN A 8 30.312 1.739 -25.000 1.00 0.00 C ATOM 692 O ASN A 8 30.105 0.727 -24.331 1.00 0.00 O ATOM 693 CB ASN A 8 29.613 2.423 -27.308 1.00 0.00 C ATOM 694 CG ASN A 8 30.296 3.029 -28.541 1.00 0.00 C ATOM 695 OD1 ASN A 8 30.835 4.131 -28.474 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.306 2.369 -29.674 1.00 0.00 N ATOM 0 H ASN A 8 29.681 -0.157 -27.177 1.00 0.00 H new ATOM 0 HA ASN A 8 31.631 2.034 -26.692 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.794 1.772 -27.616 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.179 3.213 -26.694 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.760 2.771 -30.494 1.00 0.00 H new ATOM 0 HD22 ASN A 8 29.860 1.454 -29.735 1.00 0.00 H new ATOM 697 N HIS A 9 30.264 2.934 -24.454 1.00 0.00 N ATOM 698 CA HIS A 9 29.953 3.062 -23.001 1.00 0.00 C ATOM 699 C HIS A 9 28.584 3.733 -22.807 1.00 0.00 C ATOM 700 O HIS A 9 28.407 4.528 -21.884 1.00 0.00 O ATOM 701 CB HIS A 9 31.034 3.896 -22.309 1.00 0.00 C ATOM 702 CG HIS A 9 31.189 3.431 -20.884 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.260 3.442 -20.020 1.00 0.00 N flip ATOM 704 CD2 HIS A 9 30.146 2.855 -20.173 1.00 0.00 C flip ATOM 705 CE1 HIS A 9 31.886 2.884 -18.805 1.00 0.00 C flip ATOM 706 NE2 HIS A 9 30.606 2.550 -18.956 1.00 0.00 N flip ATOM 0 H HIS A 9 30.425 3.812 -24.948 1.00 0.00 H new ATOM 0 HA HIS A 9 29.926 2.065 -22.560 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.981 3.798 -22.840 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.764 4.952 -22.331 1.00 0.00 H new ATOM 0 HD1 HIS A 9 33.188 3.805 -20.239 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.144 2.684 -20.537 1.00 0.00 H new ATOM 0 HE1 HIS A 9 32.501 2.750 -17.927 1.00 0.00 H new ATOM 707 N THR A 10 27.606 3.427 -23.631 1.00 0.00 N ATOM 708 CA THR A 10 26.259 4.057 -23.449 1.00 0.00 C ATOM 709 C THR A 10 25.211 3.329 -24.303 1.00 0.00 C ATOM 710 O THR A 10 25.175 3.496 -25.520 1.00 0.00 O ATOM 711 CB THR A 10 26.314 5.525 -23.875 1.00 0.00 C ATOM 712 OG1 THR A 10 27.367 6.184 -23.184 1.00 0.00 O ATOM 713 CG2 THR A 10 24.983 6.199 -23.545 1.00 0.00 C ATOM 0 H THR A 10 27.682 2.776 -24.412 1.00 0.00 H new ATOM 0 HA THR A 10 25.981 3.985 -22.397 1.00 0.00 H new ATOM 0 HB THR A 10 26.496 5.585 -24.948 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.566 5.702 -22.354 1.00 0.00 H new ATOM 0 HG21 THR A 10 25.020 7.245 -23.848 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.178 5.695 -24.079 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.800 6.138 -22.472 1.00 0.00 H new ATOM 714 N ILE A 11 24.351 2.535 -23.702 1.00 0.00 N ATOM 715 CA ILE A 11 23.319 1.825 -24.521 1.00 0.00 C ATOM 716 C ILE A 11 22.340 2.862 -25.092 1.00 0.00 C ATOM 717 O ILE A 11 22.362 4.028 -24.700 1.00 0.00 O ATOM 718 CB ILE A 11 22.563 0.790 -23.671 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.810 1.492 -22.536 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.564 -0.205 -23.078 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.341 1.668 -22.927 1.00 0.00 C ATOM 0 H ILE A 11 24.320 2.352 -22.699 1.00 0.00 H new ATOM 0 HA ILE A 11 23.810 1.292 -25.335 1.00 0.00 H new ATOM 0 HB ILE A 11 21.847 0.263 -24.301 1.00 0.00 H new ATOM 0 HG12 ILE A 11 21.885 0.907 -21.619 1.00 0.00 H new ATOM 0 HG13 ILE A 11 22.262 2.463 -22.332 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.032 -0.940 -22.475 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.094 -0.712 -23.884 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.280 0.328 -22.452 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.807 2.167 -22.119 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.275 2.271 -23.833 1.00 0.00 H new ATOM 0 HD13 ILE A 11 19.893 0.691 -23.109 1.00 0.00 H new ATOM 722 N TYR A 12 21.490 2.476 -26.018 1.00 0.00 N ATOM 723 CA TYR A 12 20.535 3.464 -26.606 1.00 0.00 C ATOM 724 C TYR A 12 19.320 2.724 -27.203 1.00 0.00 C ATOM 725 O TYR A 12 19.461 1.654 -27.793 1.00 0.00 O ATOM 726 CB TYR A 12 21.271 4.266 -27.699 1.00 0.00 C ATOM 727 CG TYR A 12 20.292 5.056 -28.543 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.810 6.292 -28.097 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.869 4.542 -29.774 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.902 7.014 -28.884 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.963 5.262 -30.560 1.00 0.00 C ATOM 732 CZ TYR A 12 18.478 6.499 -30.116 1.00 0.00 C ATOM 733 OH TYR A 12 17.581 7.210 -30.890 1.00 0.00 O ATOM 0 H TYR A 12 21.419 1.528 -26.387 1.00 0.00 H new ATOM 0 HA TYR A 12 20.174 4.145 -25.835 1.00 0.00 H new ATOM 0 HB2 TYR A 12 21.988 4.944 -27.237 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.839 3.586 -28.334 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.137 6.689 -27.147 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.242 3.589 -30.118 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.529 7.968 -28.540 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.637 4.864 -31.510 1.00 0.00 H new ATOM 0 HH TYR A 12 17.870 8.144 -30.951 1.00 0.00 H new ATOM 734 N ILE A 13 18.133 3.278 -27.071 1.00 0.00 N ATOM 735 CA ILE A 13 16.929 2.604 -27.643 1.00 0.00 C ATOM 736 C ILE A 13 16.133 3.630 -28.463 1.00 0.00 C ATOM 737 O ILE A 13 15.926 4.758 -28.021 1.00 0.00 O ATOM 738 CB ILE A 13 16.043 2.055 -26.515 1.00 0.00 C ATOM 739 CG1 ILE A 13 16.904 1.304 -25.480 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.011 1.094 -27.112 1.00 0.00 C ATOM 741 CD1 ILE A 13 16.935 2.089 -24.165 1.00 0.00 C ATOM 0 H ILE A 13 17.952 4.161 -26.595 1.00 0.00 H new ATOM 0 HA ILE A 13 17.243 1.775 -28.278 1.00 0.00 H new ATOM 0 HB ILE A 13 15.538 2.884 -26.019 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.498 0.307 -25.310 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.917 1.174 -25.861 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.378 0.700 -26.317 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.395 1.626 -27.836 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.525 0.271 -27.608 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.545 1.554 -23.436 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.362 3.076 -24.341 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.921 2.195 -23.781 1.00 0.00 H new ATOM 742 N ASN A 14 15.684 3.274 -29.649 1.00 0.00 N ATOM 743 CA ASN A 14 14.910 4.249 -30.472 1.00 0.00 C ATOM 744 C ASN A 14 13.570 3.624 -30.890 1.00 0.00 C ATOM 745 O ASN A 14 13.132 3.775 -32.028 1.00 0.00 O ATOM 746 CB ASN A 14 15.715 4.629 -31.718 1.00 0.00 C ATOM 747 CG ASN A 14 15.988 3.380 -32.566 1.00 0.00 C ATOM 748 OD1 ASN A 14 16.794 2.535 -32.185 1.00 0.00 O ATOM 749 ND2 ASN A 14 15.364 3.215 -33.706 1.00 0.00 N ATOM 0 H ASN A 14 15.822 2.357 -30.074 1.00 0.00 H new ATOM 0 HA ASN A 14 14.720 5.146 -29.882 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.166 5.365 -32.306 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.657 5.093 -31.425 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.548 2.387 -34.273 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.694 3.914 -34.026 1.00 0.00 H new ATOM 750 N ASN A 15 12.907 2.926 -29.994 1.00 0.00 N ATOM 751 CA ASN A 15 11.600 2.302 -30.351 1.00 0.00 C ATOM 752 C ASN A 15 10.668 2.341 -29.131 1.00 0.00 C ATOM 753 O ASN A 15 9.987 1.362 -28.827 1.00 0.00 O ATOM 754 CB ASN A 15 11.826 0.849 -30.777 1.00 0.00 C ATOM 755 CG ASN A 15 10.625 0.363 -31.597 1.00 0.00 C ATOM 756 OD1 ASN A 15 10.445 0.805 -32.819 1.00 0.00 O flip ATOM 757 ND2 ASN A 15 9.830 -0.441 -31.117 1.00 0.00 N flip ATOM 0 H ASN A 15 13.217 2.765 -29.036 1.00 0.00 H new ATOM 0 HA ASN A 15 11.146 2.853 -31.174 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.739 0.770 -31.367 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.959 0.218 -29.898 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.966 -0.787 -30.167 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.034 -0.762 -31.668 1.00 0.00 H new ATOM 758 N LEU A 16 10.621 3.449 -28.421 1.00 0.00 N ATOM 759 CA LEU A 16 9.729 3.528 -27.225 1.00 0.00 C ATOM 760 C LEU A 16 8.370 4.111 -27.639 1.00 0.00 C ATOM 761 O LEU A 16 8.161 4.458 -28.800 1.00 0.00 O ATOM 762 CB LEU A 16 10.366 4.431 -26.163 1.00 0.00 C ATOM 763 CG LEU A 16 11.507 3.683 -25.470 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.676 3.520 -26.442 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.969 4.480 -24.248 1.00 0.00 C ATOM 0 H LEU A 16 11.159 4.293 -28.620 1.00 0.00 H new ATOM 0 HA LEU A 16 9.590 2.528 -26.813 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.744 5.343 -26.626 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.617 4.732 -25.430 1.00 0.00 H new ATOM 0 HG LEU A 16 11.158 2.700 -25.154 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.488 2.987 -25.948 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.348 2.954 -27.314 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.026 4.503 -26.758 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.782 3.949 -23.753 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.318 5.463 -24.565 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.137 4.597 -23.554 1.00 0.00 H new ATOM 766 N ASN A 17 7.441 4.234 -26.715 1.00 0.00 N ATOM 767 CA ASN A 17 6.106 4.805 -27.076 1.00 0.00 C ATOM 768 C ASN A 17 6.221 6.329 -27.169 1.00 0.00 C ATOM 769 O ASN A 17 7.111 6.932 -26.571 1.00 0.00 O ATOM 770 CB ASN A 17 5.064 4.434 -26.012 1.00 0.00 C ATOM 771 CG ASN A 17 3.736 4.078 -26.693 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.525 4.416 -27.856 1.00 0.00 O ATOM 773 ND2 ASN A 17 2.820 3.411 -26.034 1.00 0.00 N ATOM 0 H ASN A 17 7.551 3.966 -25.737 1.00 0.00 H new ATOM 0 HA ASN A 17 5.789 4.397 -28.036 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.418 3.590 -25.420 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.920 5.267 -25.324 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.937 3.175 -26.486 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.990 3.128 -25.069 1.00 0.00 H new ATOM 774 N GLU A 18 5.343 6.969 -27.906 1.00 0.00 N ATOM 775 CA GLU A 18 5.416 8.454 -28.029 1.00 0.00 C ATOM 776 C GLU A 18 4.376 9.109 -27.105 1.00 0.00 C ATOM 777 O GLU A 18 3.753 10.105 -27.470 1.00 0.00 O ATOM 778 CB GLU A 18 5.133 8.853 -29.477 1.00 0.00 C ATOM 779 CG GLU A 18 6.439 8.837 -30.275 1.00 0.00 C ATOM 780 CD GLU A 18 7.222 10.120 -29.995 1.00 0.00 C ATOM 781 OE1 GLU A 18 7.806 10.214 -28.929 1.00 0.00 O ATOM 782 OE2 GLU A 18 7.224 10.988 -30.853 1.00 0.00 O ATOM 0 H GLU A 18 4.584 6.527 -28.424 1.00 0.00 H new ATOM 0 HA GLU A 18 6.412 8.791 -27.740 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.414 8.164 -29.921 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.686 9.846 -29.511 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.035 7.967 -30.000 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.226 8.753 -31.341 1.00 0.00 H new ATOM 783 N LYS A 19 4.171 8.582 -25.915 1.00 0.00 N ATOM 784 CA LYS A 19 3.174 9.190 -24.993 1.00 0.00 C ATOM 785 C LYS A 19 3.575 8.922 -23.530 1.00 0.00 C ATOM 786 O LYS A 19 2.717 8.706 -22.675 1.00 0.00 O ATOM 787 CB LYS A 19 1.802 8.575 -25.269 1.00 0.00 C ATOM 788 CG LYS A 19 1.869 7.055 -25.092 1.00 0.00 C ATOM 789 CD LYS A 19 0.543 6.548 -24.522 1.00 0.00 C ATOM 790 CE LYS A 19 0.797 5.311 -23.660 1.00 0.00 C ATOM 791 NZ LYS A 19 -0.175 5.282 -22.531 1.00 0.00 N ATOM 0 H LYS A 19 4.654 7.760 -25.552 1.00 0.00 H new ATOM 0 HA LYS A 19 3.138 10.267 -25.156 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.061 8.997 -24.590 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.481 8.818 -26.282 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.072 6.575 -26.049 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.689 6.792 -24.423 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.069 7.328 -23.926 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.144 6.304 -25.333 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.697 4.408 -24.263 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.817 5.326 -23.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.002 4.440 -21.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.059 6.137 -21.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.144 5.248 -22.908 1.00 0.00 H new ATOM 792 N ILE A 20 4.856 8.932 -23.217 1.00 0.00 N ATOM 793 CA ILE A 20 5.276 8.675 -21.808 1.00 0.00 C ATOM 794 C ILE A 20 5.489 10.004 -21.085 1.00 0.00 C ATOM 795 O ILE A 20 5.850 11.007 -21.700 1.00 0.00 O ATOM 796 CB ILE A 20 6.602 7.894 -21.760 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.650 6.805 -22.845 1.00 0.00 C ATOM 798 CG2 ILE A 20 6.744 7.243 -20.380 1.00 0.00 C ATOM 799 CD1 ILE A 20 5.461 5.858 -22.691 1.00 0.00 C ATOM 0 H ILE A 20 5.617 9.106 -23.874 1.00 0.00 H new ATOM 0 HA ILE A 20 4.491 8.091 -21.328 1.00 0.00 H new ATOM 0 HB ILE A 20 7.421 8.589 -21.942 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.633 7.264 -23.833 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.583 6.246 -22.769 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.680 6.687 -20.335 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.743 8.016 -19.611 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.909 6.563 -20.211 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.504 5.091 -23.464 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.496 5.386 -21.709 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.533 6.421 -22.790 1.00 0.00 H new ATOM 800 N LYS A 21 5.301 10.032 -19.785 1.00 0.00 N ATOM 801 CA LYS A 21 5.530 11.301 -19.040 1.00 0.00 C ATOM 802 C LYS A 21 7.044 11.463 -18.835 1.00 0.00 C ATOM 803 O LYS A 21 7.818 10.589 -19.221 1.00 0.00 O ATOM 804 CB LYS A 21 4.817 11.257 -17.676 1.00 0.00 C ATOM 805 CG LYS A 21 3.842 12.433 -17.561 1.00 0.00 C ATOM 806 CD LYS A 21 3.803 12.927 -16.113 1.00 0.00 C ATOM 807 CE LYS A 21 3.421 14.408 -16.090 1.00 0.00 C ATOM 808 NZ LYS A 21 3.699 14.972 -14.739 1.00 0.00 N ATOM 0 H LYS A 21 5.002 9.238 -19.218 1.00 0.00 H new ATOM 0 HA LYS A 21 5.129 12.143 -19.604 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.279 10.315 -17.567 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.550 11.301 -16.871 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.151 13.241 -18.224 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.846 12.125 -17.878 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.082 12.345 -15.538 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.776 12.784 -15.642 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.987 14.952 -16.846 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.365 14.526 -16.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.439 15.979 -14.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.141 14.459 -14.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.711 14.872 -14.523 1.00 0.00 H new ATOM 809 N LYS A 22 7.491 12.545 -18.238 1.00 0.00 N ATOM 810 CA LYS A 22 8.965 12.707 -18.025 1.00 0.00 C ATOM 811 C LYS A 22 9.391 11.872 -16.815 1.00 0.00 C ATOM 812 O LYS A 22 10.427 11.208 -16.843 1.00 0.00 O ATOM 813 CB LYS A 22 9.311 14.180 -17.783 1.00 0.00 C ATOM 814 CG LYS A 22 10.788 14.420 -18.107 1.00 0.00 C ATOM 815 CD LYS A 22 10.948 14.696 -19.605 1.00 0.00 C ATOM 816 CE LYS A 22 12.020 15.768 -19.823 1.00 0.00 C ATOM 817 NZ LYS A 22 11.566 16.716 -20.880 1.00 0.00 N ATOM 0 H LYS A 22 6.910 13.310 -17.895 1.00 0.00 H new ATOM 0 HA LYS A 22 9.495 12.367 -18.915 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.683 14.818 -18.405 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.108 14.446 -16.746 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.165 15.264 -17.529 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.379 13.550 -17.822 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.226 13.779 -20.125 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.999 15.027 -20.027 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.207 16.305 -18.893 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.961 15.302 -20.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.293 17.444 -21.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.409 16.197 -21.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.678 17.169 -20.582 1.00 0.00 H new ATOM 818 N ASP A 23 8.604 11.859 -15.765 1.00 0.00 N ATOM 819 CA ASP A 23 8.969 11.027 -14.582 1.00 0.00 C ATOM 820 C ASP A 23 8.688 9.544 -14.892 1.00 0.00 C ATOM 821 O ASP A 23 9.149 8.663 -14.171 1.00 0.00 O ATOM 822 CB ASP A 23 8.148 11.453 -13.357 1.00 0.00 C ATOM 823 CG ASP A 23 8.822 12.647 -12.679 1.00 0.00 C ATOM 824 OD1 ASP A 23 9.928 12.479 -12.190 1.00 0.00 O ATOM 825 OD2 ASP A 23 8.223 13.709 -12.659 1.00 0.00 O ATOM 0 H ASP A 23 7.734 12.384 -15.679 1.00 0.00 H new ATOM 0 HA ASP A 23 10.028 11.167 -14.366 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.135 11.718 -13.660 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.065 10.623 -12.656 1.00 0.00 H new ATOM 826 N GLU A 24 7.940 9.234 -15.944 1.00 0.00 N ATOM 827 CA GLU A 24 7.659 7.804 -16.251 1.00 0.00 C ATOM 828 C GLU A 24 8.822 7.199 -17.036 1.00 0.00 C ATOM 829 O GLU A 24 9.223 6.067 -16.775 1.00 0.00 O ATOM 830 CB GLU A 24 6.373 7.680 -17.073 1.00 0.00 C ATOM 831 CG GLU A 24 5.180 8.129 -16.227 1.00 0.00 C ATOM 832 CD GLU A 24 3.886 7.599 -16.845 1.00 0.00 C ATOM 833 OE1 GLU A 24 3.404 8.215 -17.781 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.398 6.586 -16.372 1.00 0.00 O ATOM 0 H GLU A 24 7.524 9.909 -16.586 1.00 0.00 H new ATOM 0 HA GLU A 24 7.537 7.266 -15.311 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.444 8.291 -17.973 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.234 6.649 -17.397 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.285 7.760 -15.207 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.150 9.217 -16.171 1.00 0.00 H new ATOM 835 N LEU A 25 9.376 7.909 -17.995 1.00 0.00 N ATOM 836 CA LEU A 25 10.510 7.313 -18.770 1.00 0.00 C ATOM 837 C LEU A 25 11.760 7.211 -17.884 1.00 0.00 C ATOM 838 O LEU A 25 12.531 6.265 -18.010 1.00 0.00 O ATOM 839 CB LEU A 25 10.847 8.168 -20.003 1.00 0.00 C ATOM 840 CG LEU A 25 10.094 7.654 -21.236 1.00 0.00 C ATOM 841 CD1 LEU A 25 10.477 8.499 -22.450 1.00 0.00 C ATOM 842 CD2 LEU A 25 10.455 6.188 -21.508 1.00 0.00 C ATOM 0 H LEU A 25 9.099 8.852 -18.268 1.00 0.00 H new ATOM 0 HA LEU A 25 10.202 6.320 -19.098 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.581 9.208 -19.815 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.921 8.142 -20.188 1.00 0.00 H new ATOM 0 HG LEU A 25 9.022 7.728 -21.052 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.944 8.136 -23.329 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.210 9.540 -22.267 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.551 8.424 -22.621 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.913 5.837 -22.386 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.527 6.104 -21.686 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.182 5.580 -20.646 1.00 0.00 H new ATOM 843 N LYS A 26 11.991 8.157 -16.998 1.00 0.00 N ATOM 844 CA LYS A 26 13.211 8.074 -16.132 1.00 0.00 C ATOM 845 C LYS A 26 13.001 7.051 -15.001 1.00 0.00 C ATOM 846 O LYS A 26 13.957 6.431 -14.541 1.00 0.00 O ATOM 847 CB LYS A 26 13.527 9.446 -15.525 1.00 0.00 C ATOM 848 CG LYS A 26 14.855 9.377 -14.768 1.00 0.00 C ATOM 849 CD LYS A 26 15.322 10.793 -14.428 1.00 0.00 C ATOM 850 CE LYS A 26 16.106 11.369 -15.609 1.00 0.00 C ATOM 851 NZ LYS A 26 16.970 12.485 -15.134 1.00 0.00 N ATOM 0 H LYS A 26 11.396 8.970 -16.840 1.00 0.00 H new ATOM 0 HA LYS A 26 14.047 7.753 -16.753 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.583 10.199 -16.311 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.727 9.750 -14.850 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.736 8.793 -13.855 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.606 8.871 -15.375 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.464 11.426 -14.204 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.948 10.777 -13.536 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.717 10.592 -16.067 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.419 11.728 -16.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.503 12.877 -15.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.377 13.230 -14.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.635 12.129 -14.418 1.00 0.00 H new ATOM 852 N LYS A 27 11.785 6.855 -14.534 1.00 0.00 N ATOM 853 CA LYS A 27 11.569 5.861 -13.434 1.00 0.00 C ATOM 854 C LYS A 27 11.620 4.421 -13.985 1.00 0.00 C ATOM 855 O LYS A 27 11.908 3.485 -13.240 1.00 0.00 O ATOM 856 CB LYS A 27 10.205 6.091 -12.766 1.00 0.00 C ATOM 857 CG LYS A 27 10.388 6.916 -11.489 1.00 0.00 C ATOM 858 CD LYS A 27 10.839 8.333 -11.850 1.00 0.00 C ATOM 859 CE LYS A 27 11.580 8.951 -10.663 1.00 0.00 C ATOM 860 NZ LYS A 27 12.654 9.854 -11.165 1.00 0.00 N ATOM 0 H LYS A 27 10.947 7.334 -14.863 1.00 0.00 H new ATOM 0 HA LYS A 27 12.364 5.995 -12.700 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.536 6.610 -13.453 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.740 5.134 -12.529 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.452 6.953 -10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.126 6.443 -10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.489 8.307 -12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.976 8.945 -12.112 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.884 9.509 -10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.011 8.167 -10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.159 10.275 -10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.323 9.309 -11.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.231 10.609 -11.741 1.00 0.00 H new ATOM 861 N SER A 28 11.343 4.204 -15.259 1.00 0.00 N ATOM 862 CA SER A 28 11.380 2.807 -15.792 1.00 0.00 C ATOM 863 C SER A 28 12.801 2.447 -16.260 1.00 0.00 C ATOM 864 O SER A 28 13.239 1.309 -16.103 1.00 0.00 O ATOM 865 CB SER A 28 10.411 2.671 -16.971 1.00 0.00 C ATOM 866 OG SER A 28 10.326 1.305 -17.353 1.00 0.00 O ATOM 0 H SER A 28 11.098 4.926 -15.937 1.00 0.00 H new ATOM 0 HA SER A 28 11.084 2.127 -14.994 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.426 3.045 -16.692 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.755 3.275 -17.811 1.00 0.00 H new ATOM 0 HG SER A 28 10.418 1.231 -18.326 1.00 0.00 H new ATOM 867 N LEU A 29 13.536 3.381 -16.831 1.00 0.00 N ATOM 868 CA LEU A 29 14.921 3.049 -17.301 1.00 0.00 C ATOM 869 C LEU A 29 15.844 2.877 -16.088 1.00 0.00 C ATOM 870 O LEU A 29 16.642 1.945 -16.029 1.00 0.00 O ATOM 871 CB LEU A 29 15.463 4.168 -18.204 1.00 0.00 C ATOM 872 CG LEU A 29 14.508 4.387 -19.380 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.533 5.859 -19.798 1.00 0.00 C ATOM 874 CD2 LEU A 29 14.946 3.518 -20.561 1.00 0.00 C ATOM 0 H LEU A 29 13.240 4.344 -16.989 1.00 0.00 H new ATOM 0 HA LEU A 29 14.887 2.122 -17.873 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.570 5.090 -17.633 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.454 3.904 -18.572 1.00 0.00 H new ATOM 0 HG LEU A 29 13.497 4.113 -19.078 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.852 6.011 -20.635 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.221 6.481 -18.959 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.544 6.135 -20.098 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.266 3.673 -21.399 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.958 3.792 -20.859 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.926 2.468 -20.268 1.00 0.00 H new ATOM 875 N HIS A 30 15.747 3.749 -15.114 1.00 0.00 N ATOM 876 CA HIS A 30 16.624 3.613 -13.905 1.00 0.00 C ATOM 877 C HIS A 30 16.267 2.334 -13.123 1.00 0.00 C ATOM 878 O HIS A 30 17.108 1.789 -12.410 1.00 0.00 O ATOM 879 CB HIS A 30 16.455 4.831 -12.985 1.00 0.00 C ATOM 880 CG HIS A 30 17.728 5.059 -12.218 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.807 4.884 -10.845 1.00 0.00 N ATOM 882 CD2 HIS A 30 18.983 5.448 -12.618 1.00 0.00 C ATOM 883 CE1 HIS A 30 19.069 5.165 -10.471 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.828 5.514 -11.513 1.00 0.00 N ATOM 0 H HIS A 30 15.106 4.542 -15.101 1.00 0.00 H new ATOM 0 HA HIS A 30 17.659 3.553 -14.241 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.210 5.714 -13.575 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.627 4.668 -12.296 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.271 5.669 -13.635 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.425 5.114 -9.452 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.814 5.773 -11.502 1.00 0.00 H new ATOM 885 N ALA A 31 15.048 1.839 -13.222 1.00 0.00 N ATOM 886 CA ALA A 31 14.686 0.601 -12.461 1.00 0.00 C ATOM 887 C ALA A 31 15.254 -0.639 -13.171 1.00 0.00 C ATOM 888 O ALA A 31 16.142 -1.305 -12.649 1.00 0.00 O ATOM 889 CB ALA A 31 13.161 0.468 -12.357 1.00 0.00 C ATOM 0 H ALA A 31 14.300 2.236 -13.791 1.00 0.00 H new ATOM 0 HA ALA A 31 15.111 0.675 -11.460 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.912 -0.436 -11.802 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.755 1.336 -11.838 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.732 0.409 -13.357 1.00 0.00 H new ATOM 890 N ILE A 32 14.747 -0.982 -14.337 1.00 0.00 N ATOM 891 CA ILE A 32 15.253 -2.193 -15.044 1.00 0.00 C ATOM 892 C ILE A 32 16.790 -2.163 -15.173 1.00 0.00 C ATOM 893 O ILE A 32 17.472 -3.099 -14.760 1.00 0.00 O ATOM 894 CB ILE A 32 14.628 -2.344 -16.450 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.228 -1.005 -17.104 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.394 -3.240 -16.369 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.469 -1.080 -18.613 1.00 0.00 C ATOM 0 H ILE A 32 14.008 -0.473 -14.822 1.00 0.00 H new ATOM 0 HA ILE A 32 14.958 -3.050 -14.438 1.00 0.00 H new ATOM 0 HB ILE A 32 15.401 -2.786 -17.078 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.179 -0.790 -16.903 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.809 -0.190 -16.673 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.955 -3.345 -17.361 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.681 -4.222 -15.993 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.664 -2.793 -15.694 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.186 -0.134 -19.074 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.524 -1.275 -18.804 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.869 -1.884 -19.038 1.00 0.00 H new ATOM 898 N PHE A 33 17.349 -1.132 -15.759 1.00 0.00 N ATOM 899 CA PHE A 33 18.840 -1.080 -15.931 1.00 0.00 C ATOM 900 C PHE A 33 19.551 -1.177 -14.570 1.00 0.00 C ATOM 901 O PHE A 33 20.550 -1.882 -14.437 1.00 0.00 O ATOM 902 CB PHE A 33 19.247 0.231 -16.621 1.00 0.00 C ATOM 903 CG PHE A 33 18.933 0.141 -18.096 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.583 -0.808 -18.892 1.00 0.00 C ATOM 905 CD2 PHE A 33 17.990 1.006 -18.667 1.00 0.00 C ATOM 906 CE1 PHE A 33 19.292 -0.893 -20.259 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.700 0.920 -20.034 1.00 0.00 C ATOM 908 CZ PHE A 33 18.350 -0.030 -20.830 1.00 0.00 C ATOM 0 H PHE A 33 16.842 -0.326 -16.125 1.00 0.00 H new ATOM 0 HA PHE A 33 19.138 -1.928 -16.548 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.713 1.070 -16.175 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.311 0.416 -16.475 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.309 -1.475 -18.452 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.487 1.739 -18.053 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.795 -1.625 -20.873 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.974 1.587 -20.475 1.00 0.00 H new ATOM 0 HZ PHE A 33 18.125 -0.097 -21.884 1.00 0.00 H new ATOM 909 N SER A 34 19.079 -0.477 -13.560 1.00 0.00 N ATOM 910 CA SER A 34 19.769 -0.542 -12.225 1.00 0.00 C ATOM 911 C SER A 34 19.912 -2.003 -11.760 1.00 0.00 C ATOM 912 O SER A 34 20.908 -2.366 -11.136 1.00 0.00 O ATOM 913 CB SER A 34 18.975 0.243 -11.173 1.00 0.00 C ATOM 914 OG SER A 34 17.623 -0.195 -11.181 1.00 0.00 O ATOM 0 H SER A 34 18.259 0.128 -13.600 1.00 0.00 H new ATOM 0 HA SER A 34 20.759 -0.101 -12.337 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.412 0.094 -10.185 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.025 1.311 -11.386 1.00 0.00 H new ATOM 0 HG SER A 34 17.214 0.021 -12.045 1.00 0.00 H new ATOM 915 N ARG A 35 18.945 -2.854 -12.038 1.00 0.00 N ATOM 916 CA ARG A 35 19.056 -4.283 -11.590 1.00 0.00 C ATOM 917 C ARG A 35 20.371 -4.890 -12.104 1.00 0.00 C ATOM 918 O ARG A 35 21.104 -5.531 -11.353 1.00 0.00 O ATOM 919 CB ARG A 35 17.881 -5.108 -12.134 1.00 0.00 C ATOM 920 CG ARG A 35 16.610 -4.772 -11.348 1.00 0.00 C ATOM 921 CD ARG A 35 15.402 -4.813 -12.285 1.00 0.00 C ATOM 922 NE ARG A 35 14.224 -5.361 -11.553 1.00 0.00 N ATOM 923 CZ ARG A 35 13.751 -6.536 -11.864 1.00 0.00 C ATOM 924 NH1 ARG A 35 13.451 -6.811 -13.105 1.00 0.00 N ATOM 925 NH2 ARG A 35 13.575 -7.435 -10.936 1.00 0.00 N ATOM 0 H ARG A 35 18.094 -2.623 -12.550 1.00 0.00 H new ATOM 0 HA ARG A 35 19.038 -4.304 -10.500 1.00 0.00 H new ATOM 0 HB2 ARG A 35 17.733 -4.895 -13.193 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.101 -6.172 -12.051 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.475 -5.483 -10.533 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.700 -3.784 -10.897 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.181 -3.812 -12.654 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.623 -5.432 -13.155 1.00 0.00 H new ATOM 0 HE ARG A 35 13.788 -4.817 -10.809 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.587 -6.107 -13.831 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.081 -7.730 -13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.807 -7.219 -9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.205 -8.354 -11.180 1.00 0.00 H new ATOM 926 N PHE A 36 20.687 -4.707 -13.369 1.00 0.00 N ATOM 927 CA PHE A 36 21.961 -5.289 -13.905 1.00 0.00 C ATOM 928 C PHE A 36 23.154 -4.732 -13.113 1.00 0.00 C ATOM 929 O PHE A 36 23.921 -5.489 -12.520 1.00 0.00 O ATOM 930 CB PHE A 36 22.125 -4.935 -15.389 1.00 0.00 C ATOM 931 CG PHE A 36 21.036 -5.611 -16.186 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.140 -6.970 -16.501 1.00 0.00 C ATOM 933 CD2 PHE A 36 19.920 -4.878 -16.608 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.129 -7.598 -17.238 1.00 0.00 C ATOM 935 CE2 PHE A 36 18.909 -5.505 -17.346 1.00 0.00 C ATOM 936 CZ PHE A 36 19.013 -6.865 -17.661 1.00 0.00 C ATOM 0 H PHE A 36 20.126 -4.187 -14.043 1.00 0.00 H new ATOM 0 HA PHE A 36 21.924 -6.373 -13.801 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.074 -3.855 -15.525 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.104 -5.255 -15.745 1.00 0.00 H new ATOM 0 HD1 PHE A 36 22.001 -7.535 -16.175 1.00 0.00 H new ATOM 0 HD2 PHE A 36 19.839 -3.829 -16.364 1.00 0.00 H new ATOM 0 HE1 PHE A 36 20.210 -8.647 -17.480 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.049 -4.939 -17.672 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.233 -7.349 -18.230 1.00 0.00 H new ATOM 937 N GLY A 37 23.335 -3.429 -13.089 1.00 0.00 N ATOM 938 CA GLY A 37 24.486 -2.853 -12.332 1.00 0.00 C ATOM 939 C GLY A 37 24.123 -1.453 -11.811 1.00 0.00 C ATOM 940 O GLY A 37 22.948 -1.122 -11.665 1.00 0.00 O ATOM 0 H GLY A 37 22.738 -2.748 -13.558 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.746 -3.505 -11.498 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.363 -2.794 -12.976 1.00 0.00 H new ATOM 941 N GLN A 38 25.104 -0.621 -11.530 1.00 0.00 N ATOM 942 CA GLN A 38 24.792 0.750 -11.026 1.00 0.00 C ATOM 943 C GLN A 38 24.730 1.724 -12.209 1.00 0.00 C ATOM 944 O GLN A 38 25.604 1.716 -13.075 1.00 0.00 O ATOM 945 CB GLN A 38 25.881 1.207 -10.049 1.00 0.00 C ATOM 946 CG GLN A 38 25.316 2.284 -9.121 1.00 0.00 C ATOM 947 CD GLN A 38 26.078 2.264 -7.790 1.00 0.00 C ATOM 948 OE1 GLN A 38 25.795 1.437 -6.926 1.00 0.00 O ATOM 949 NE2 GLN A 38 27.036 3.131 -7.571 1.00 0.00 N ATOM 0 H GLN A 38 26.097 -0.834 -11.628 1.00 0.00 H new ATOM 0 HA GLN A 38 23.832 0.733 -10.511 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.239 0.359 -9.464 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.737 1.599 -10.599 1.00 0.00 H new ATOM 0 HG2 GLN A 38 25.405 3.265 -9.588 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.254 2.109 -8.947 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.274 3.819 -8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.543 3.118 -6.686 1.00 0.00 H new ATOM 950 N ILE A 39 23.722 2.568 -12.270 1.00 0.00 N ATOM 951 CA ILE A 39 23.632 3.532 -13.406 1.00 0.00 C ATOM 952 C ILE A 39 24.266 4.868 -12.993 1.00 0.00 C ATOM 953 O ILE A 39 24.070 5.339 -11.873 1.00 0.00 O ATOM 954 CB ILE A 39 22.165 3.755 -13.784 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.503 2.404 -14.061 1.00 0.00 C ATOM 956 CG2 ILE A 39 22.089 4.625 -15.041 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.985 2.581 -14.111 1.00 0.00 C ATOM 0 H ILE A 39 22.967 2.627 -11.587 1.00 0.00 H new ATOM 0 HA ILE A 39 24.164 3.126 -14.266 1.00 0.00 H new ATOM 0 HB ILE A 39 21.649 4.255 -12.964 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.864 1.997 -15.006 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.771 1.689 -13.283 1.00 0.00 H new ATOM 0 HG21 ILE A 39 21.045 4.784 -15.311 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.564 5.587 -14.847 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.603 4.125 -15.861 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.513 1.619 -14.308 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.632 2.969 -13.155 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.726 3.282 -14.905 1.00 0.00 H new ATOM 958 N LEU A 40 25.023 5.490 -13.869 1.00 0.00 N ATOM 959 CA LEU A 40 25.662 6.791 -13.510 1.00 0.00 C ATOM 960 C LEU A 40 24.697 7.939 -13.836 1.00 0.00 C ATOM 961 O LEU A 40 24.560 8.885 -13.061 1.00 0.00 O ATOM 962 CB LEU A 40 26.964 6.967 -14.309 1.00 0.00 C ATOM 963 CG LEU A 40 28.091 7.429 -13.381 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.374 6.346 -12.335 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.355 7.681 -14.210 1.00 0.00 C ATOM 0 H LEU A 40 25.223 5.152 -14.811 1.00 0.00 H new ATOM 0 HA LEU A 40 25.892 6.801 -12.445 1.00 0.00 H new ATOM 0 HB2 LEU A 40 27.238 6.026 -14.786 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.816 7.696 -15.105 1.00 0.00 H new ATOM 0 HG LEU A 40 27.793 8.348 -12.876 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.176 6.677 -11.676 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.474 6.163 -11.748 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.673 5.425 -12.836 1.00 0.00 H new ATOM 0 HD21 LEU A 40 30.161 8.010 -13.554 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.650 6.760 -14.713 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.155 8.452 -14.954 1.00 0.00 H new ATOM 966 N ASP A 41 24.025 7.882 -14.964 1.00 0.00 N ATOM 967 CA ASP A 41 23.073 8.983 -15.317 1.00 0.00 C ATOM 968 C ASP A 41 22.240 8.596 -16.553 1.00 0.00 C ATOM 969 O ASP A 41 22.718 7.888 -17.438 1.00 0.00 O ATOM 970 CB ASP A 41 23.864 10.258 -15.617 1.00 0.00 C ATOM 971 CG ASP A 41 22.967 11.478 -15.401 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.138 11.737 -16.258 1.00 0.00 O ATOM 973 OD2 ASP A 41 23.125 12.132 -14.384 1.00 0.00 O ATOM 0 H ASP A 41 24.094 7.129 -15.648 1.00 0.00 H new ATOM 0 HA ASP A 41 22.399 9.152 -14.477 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.738 10.317 -14.969 1.00 0.00 H new ATOM 0 HB3 ASP A 41 24.229 10.239 -16.644 1.00 0.00 H new ATOM 974 N ILE A 42 21.007 9.047 -16.635 1.00 0.00 N ATOM 975 CA ILE A 42 20.163 8.702 -17.815 1.00 0.00 C ATOM 976 C ILE A 42 19.640 9.995 -18.458 1.00 0.00 C ATOM 977 O ILE A 42 19.131 10.879 -17.768 1.00 0.00 O ATOM 978 CB ILE A 42 18.984 7.839 -17.363 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.511 6.591 -16.649 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.158 7.417 -18.580 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.341 5.826 -16.028 1.00 0.00 C ATOM 0 H ILE A 42 20.555 9.636 -15.936 1.00 0.00 H new ATOM 0 HA ILE A 42 20.757 8.148 -18.542 1.00 0.00 H new ATOM 0 HB ILE A 42 18.356 8.413 -16.682 1.00 0.00 H new ATOM 0 HG12 ILE A 42 20.043 5.953 -17.355 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.225 6.876 -15.876 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.319 6.802 -18.255 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.782 8.304 -19.090 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.784 6.844 -19.264 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.716 4.938 -15.520 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.828 6.466 -15.310 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.644 5.529 -16.811 1.00 0.00 H new ATOM 982 N LEU A 43 19.756 10.137 -19.762 1.00 0.00 N ATOM 983 CA LEU A 43 19.268 11.381 -20.422 1.00 0.00 C ATOM 984 C LEU A 43 17.961 11.093 -21.179 1.00 0.00 C ATOM 985 O LEU A 43 17.872 10.128 -21.937 1.00 0.00 O ATOM 986 CB LEU A 43 20.325 11.880 -21.411 1.00 0.00 C ATOM 987 CG LEU A 43 21.525 12.436 -20.642 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.346 11.279 -20.070 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.399 13.259 -21.591 1.00 0.00 C ATOM 0 H LEU A 43 20.166 9.445 -20.389 1.00 0.00 H new ATOM 0 HA LEU A 43 19.085 12.141 -19.663 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.643 11.065 -22.061 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.901 12.653 -22.052 1.00 0.00 H new ATOM 0 HG LEU A 43 21.173 13.069 -19.827 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.201 11.675 -19.522 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.724 10.690 -19.396 1.00 0.00 H new ATOM 0 HD13 LEU A 43 22.699 10.646 -20.884 1.00 0.00 H new ATOM 0 HD21 LEU A 43 23.255 13.656 -21.045 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.750 12.624 -22.405 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.815 14.084 -22.000 1.00 0.00 H new ATOM 990 N VAL A 44 16.947 11.913 -20.998 1.00 0.00 N ATOM 991 CA VAL A 44 15.661 11.680 -21.719 1.00 0.00 C ATOM 992 C VAL A 44 15.204 12.991 -22.378 1.00 0.00 C ATOM 993 O VAL A 44 15.055 14.013 -21.709 1.00 0.00 O ATOM 994 CB VAL A 44 14.586 11.192 -20.738 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.898 9.755 -20.313 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.553 12.096 -19.498 1.00 0.00 C ATOM 0 H VAL A 44 16.959 12.728 -20.384 1.00 0.00 H new ATOM 0 HA VAL A 44 15.811 10.918 -22.484 1.00 0.00 H new ATOM 0 HB VAL A 44 13.614 11.227 -21.230 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.135 9.408 -19.616 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.908 9.110 -21.191 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.874 9.723 -19.828 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.787 11.741 -18.809 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.524 12.072 -19.004 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.324 13.118 -19.799 1.00 0.00 H new ATOM 997 N SER A 45 14.984 12.995 -23.675 1.00 0.00 N ATOM 998 CA SER A 45 14.545 14.251 -24.350 1.00 0.00 C ATOM 999 C SER A 45 13.252 13.994 -25.135 1.00 0.00 C ATOM 1000 O SER A 45 12.922 12.852 -25.450 1.00 0.00 O ATOM 1001 CB SER A 45 15.639 14.720 -25.310 1.00 0.00 C ATOM 1002 OG SER A 45 15.225 15.922 -25.943 1.00 0.00 O ATOM 0 H SER A 45 15.090 12.186 -24.287 1.00 0.00 H new ATOM 0 HA SER A 45 14.362 15.019 -23.599 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.570 14.884 -24.767 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.837 13.952 -26.057 1.00 0.00 H new ATOM 0 HG SER A 45 15.925 16.226 -26.558 1.00 0.00 H new ATOM 1003 N ARG A 46 12.508 15.031 -25.466 1.00 0.00 N ATOM 1004 CA ARG A 46 11.245 14.825 -26.232 1.00 0.00 C ATOM 1005 C ARG A 46 11.231 15.729 -27.478 1.00 0.00 C ATOM 1006 O ARG A 46 10.179 16.232 -27.872 1.00 0.00 O ATOM 1007 CB ARG A 46 10.046 15.162 -25.341 1.00 0.00 C ATOM 1008 CG ARG A 46 10.155 16.608 -24.852 1.00 0.00 C ATOM 1009 CD ARG A 46 8.890 16.985 -24.077 1.00 0.00 C ATOM 1010 NE ARG A 46 7.779 17.251 -25.034 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.981 18.265 -24.843 1.00 0.00 C ATOM 1012 NH1 ARG A 46 7.450 19.482 -24.884 1.00 0.00 N ATOM 1013 NH2 ARG A 46 5.713 18.063 -24.610 1.00 0.00 N ATOM 0 H ARG A 46 12.725 16.001 -25.237 1.00 0.00 H new ATOM 0 HA ARG A 46 11.185 13.783 -26.547 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.118 15.025 -25.897 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.011 14.482 -24.490 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.032 16.722 -24.214 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.288 17.280 -25.700 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.613 16.179 -23.398 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.076 17.868 -23.465 1.00 0.00 H new ATOM 0 HE ARG A 46 7.642 16.640 -25.839 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.441 19.641 -25.066 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.826 20.275 -24.735 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.346 17.112 -24.577 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.089 18.856 -24.461 1.00 0.00 H new ATOM 1014 N SER A 47 12.364 15.945 -28.116 1.00 0.00 N ATOM 1015 CA SER A 47 12.377 16.812 -29.334 1.00 0.00 C ATOM 1016 C SER A 47 12.064 15.951 -30.567 1.00 0.00 C ATOM 1017 O SER A 47 11.945 14.732 -30.464 1.00 0.00 O ATOM 1018 CB SER A 47 13.753 17.464 -29.499 1.00 0.00 C ATOM 1019 OG SER A 47 14.762 16.477 -29.338 1.00 0.00 O ATOM 0 H SER A 47 13.269 15.560 -27.845 1.00 0.00 H new ATOM 0 HA SER A 47 11.626 17.595 -29.229 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.834 17.926 -30.483 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.883 18.257 -28.763 1.00 0.00 H new ATOM 0 HG SER A 47 15.644 16.890 -29.445 1.00 0.00 H new ATOM 1020 N LEU A 48 11.926 16.550 -31.732 1.00 0.00 N ATOM 1021 CA LEU A 48 11.618 15.730 -32.951 1.00 0.00 C ATOM 1022 C LEU A 48 12.822 14.841 -33.296 1.00 0.00 C ATOM 1023 O LEU A 48 12.658 13.682 -33.676 1.00 0.00 O ATOM 1024 CB LEU A 48 11.309 16.640 -34.147 1.00 0.00 C ATOM 1025 CG LEU A 48 10.457 15.885 -35.164 1.00 0.00 C ATOM 1026 CD1 LEU A 48 9.521 16.870 -35.870 1.00 0.00 C ATOM 1027 CD2 LEU A 48 11.369 15.217 -36.196 1.00 0.00 C ATOM 0 H LEU A 48 12.012 17.554 -31.889 1.00 0.00 H new ATOM 0 HA LEU A 48 10.747 15.110 -32.739 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.783 17.533 -33.810 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.237 16.973 -34.612 1.00 0.00 H new ATOM 0 HG LEU A 48 9.867 15.123 -34.654 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.911 16.334 -36.597 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.874 17.348 -35.135 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.111 17.630 -36.381 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.762 14.677 -36.923 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.957 15.978 -36.708 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.038 14.519 -35.693 1.00 0.00 H new ATOM 1028 N LYS A 49 14.030 15.352 -33.177 1.00 0.00 N ATOM 1029 CA LYS A 49 15.226 14.513 -33.511 1.00 0.00 C ATOM 1030 C LYS A 49 15.417 13.429 -32.439 1.00 0.00 C ATOM 1031 O LYS A 49 15.765 12.292 -32.753 1.00 0.00 O ATOM 1032 CB LYS A 49 16.487 15.385 -33.577 1.00 0.00 C ATOM 1033 CG LYS A 49 16.317 16.447 -34.665 1.00 0.00 C ATOM 1034 CD LYS A 49 16.577 15.819 -36.036 1.00 0.00 C ATOM 1035 CE LYS A 49 17.040 16.902 -37.014 1.00 0.00 C ATOM 1036 NZ LYS A 49 15.851 17.586 -37.596 1.00 0.00 N ATOM 0 H LYS A 49 14.235 16.302 -32.867 1.00 0.00 H new ATOM 0 HA LYS A 49 15.062 14.045 -34.482 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.663 15.862 -32.613 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.359 14.767 -33.791 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.310 16.862 -34.628 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.008 17.272 -34.494 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.335 15.040 -35.953 1.00 0.00 H new ATOM 0 HD3 LYS A 49 15.670 15.342 -36.407 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.673 17.625 -36.500 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.642 16.458 -37.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.165 18.322 -38.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.263 16.892 -38.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.294 18.022 -36.834 1.00 0.00 H new ATOM 1037 N MET A 50 15.204 13.748 -31.179 1.00 0.00 N ATOM 1038 CA MET A 50 15.385 12.721 -30.113 1.00 0.00 C ATOM 1039 C MET A 50 14.020 12.378 -29.497 1.00 0.00 C ATOM 1040 O MET A 50 13.794 12.587 -28.305 1.00 0.00 O ATOM 1041 CB MET A 50 16.317 13.268 -29.027 1.00 0.00 C ATOM 1042 CG MET A 50 17.605 13.791 -29.667 1.00 0.00 C ATOM 1043 SD MET A 50 18.423 12.447 -30.563 1.00 0.00 S ATOM 1044 CE MET A 50 19.836 12.260 -29.449 1.00 0.00 C ATOM 0 H MET A 50 14.915 14.670 -30.851 1.00 0.00 H new ATOM 0 HA MET A 50 15.824 11.822 -30.545 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.821 14.069 -28.478 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.550 12.484 -28.306 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.378 14.611 -30.348 1.00 0.00 H new ATOM 0 HG3 MET A 50 18.270 14.188 -28.900 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.505 11.492 -29.836 1.00 0.00 H new ATOM 0 HE2 MET A 50 20.372 13.207 -29.379 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.483 11.969 -28.460 1.00 0.00 H new ATOM 1045 N ARG A 51 13.099 11.853 -30.279 1.00 0.00 N ATOM 1046 CA ARG A 51 11.762 11.506 -29.720 1.00 0.00 C ATOM 1047 C ARG A 51 11.608 9.978 -29.671 1.00 0.00 C ATOM 1048 O ARG A 51 12.105 9.266 -30.543 1.00 0.00 O ATOM 1049 CB ARG A 51 10.665 12.106 -30.609 1.00 0.00 C ATOM 1050 CG ARG A 51 9.593 12.776 -29.735 1.00 0.00 C ATOM 1051 CD ARG A 51 9.158 14.104 -30.364 1.00 0.00 C ATOM 1052 NE ARG A 51 7.802 13.952 -30.960 1.00 0.00 N ATOM 1053 CZ ARG A 51 6.745 14.261 -30.259 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.339 13.469 -29.305 1.00 0.00 N ATOM 1055 NH2 ARG A 51 6.092 15.362 -30.514 1.00 0.00 N ATOM 0 H ARG A 51 13.221 11.654 -31.272 1.00 0.00 H new ATOM 0 HA ARG A 51 11.672 11.911 -28.712 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.098 12.836 -31.293 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.213 11.325 -31.221 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.733 12.115 -29.630 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.986 12.950 -28.733 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.149 14.890 -29.609 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.872 14.406 -31.130 1.00 0.00 H new ATOM 0 HE ARG A 51 7.699 13.607 -31.914 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.848 12.607 -29.106 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.513 13.711 -28.758 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.408 15.981 -31.261 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.266 15.604 -29.966 1.00 0.00 H new ATOM 1056 N GLY A 52 10.934 9.455 -28.670 1.00 0.00 N ATOM 1057 CA GLY A 52 10.759 7.975 -28.580 1.00 0.00 C ATOM 1058 C GLY A 52 12.131 7.293 -28.456 1.00 0.00 C ATOM 1059 O GLY A 52 12.356 6.229 -29.031 1.00 0.00 O ATOM 0 H GLY A 52 10.501 9.990 -27.917 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.140 7.725 -27.719 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.239 7.607 -29.464 1.00 0.00 H new ATOM 1060 N GLN A 53 13.056 7.876 -27.721 1.00 0.00 N ATOM 1061 CA GLN A 53 14.404 7.240 -27.580 1.00 0.00 C ATOM 1062 C GLN A 53 15.082 7.736 -26.291 1.00 0.00 C ATOM 1063 O GLN A 53 14.827 8.851 -25.839 1.00 0.00 O ATOM 1064 CB GLN A 53 15.270 7.610 -28.786 1.00 0.00 C ATOM 1065 CG GLN A 53 15.301 9.133 -28.944 1.00 0.00 C ATOM 1066 CD GLN A 53 16.585 9.547 -29.674 1.00 0.00 C ATOM 1067 OE1 GLN A 53 16.634 9.513 -30.983 1.00 0.00 O flip ATOM 1068 NE2 GLN A 53 17.571 9.913 -29.037 1.00 0.00 N flip ATOM 0 H GLN A 53 12.934 8.756 -27.219 1.00 0.00 H new ATOM 0 HA GLN A 53 14.288 6.157 -27.531 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.282 7.227 -28.652 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.871 7.148 -29.689 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.428 9.469 -29.503 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.256 9.612 -27.966 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.538 9.941 -28.018 1.00 0.00 H new ATOM 0 HE22 GLN A 53 18.422 10.188 -29.528 1.00 0.00 H new ATOM 1069 N ALA A 54 15.938 6.938 -25.686 1.00 0.00 N ATOM 1070 CA ALA A 54 16.611 7.393 -24.433 1.00 0.00 C ATOM 1071 C ALA A 54 18.036 6.823 -24.360 1.00 0.00 C ATOM 1072 O ALA A 54 18.319 5.756 -24.902 1.00 0.00 O ATOM 1073 CB ALA A 54 15.807 6.910 -23.224 1.00 0.00 C ATOM 0 H ALA A 54 16.194 6.004 -26.005 1.00 0.00 H new ATOM 0 HA ALA A 54 16.664 8.482 -24.431 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.295 7.240 -22.307 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.800 7.324 -23.268 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.753 5.821 -23.234 1.00 0.00 H new ATOM 1074 N PHE A 55 18.942 7.509 -23.691 1.00 0.00 N ATOM 1075 CA PHE A 55 20.338 6.996 -23.582 1.00 0.00 C ATOM 1076 C PHE A 55 20.613 6.586 -22.128 1.00 0.00 C ATOM 1077 O PHE A 55 20.158 7.246 -21.196 1.00 0.00 O ATOM 1078 CB PHE A 55 21.326 8.101 -23.971 1.00 0.00 C ATOM 1079 CG PHE A 55 21.081 8.544 -25.393 1.00 0.00 C ATOM 1080 CD1 PHE A 55 19.970 9.337 -25.702 1.00 0.00 C ATOM 1081 CD2 PHE A 55 21.977 8.172 -26.404 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.753 9.757 -27.020 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.761 8.592 -27.721 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.650 9.384 -28.029 1.00 0.00 C ATOM 0 H PHE A 55 18.768 8.397 -23.220 1.00 0.00 H new ATOM 0 HA PHE A 55 20.458 6.140 -24.247 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.219 8.949 -23.295 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.348 7.738 -23.867 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.279 9.625 -24.923 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.835 7.561 -26.166 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.895 10.368 -27.258 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.452 8.305 -28.500 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.484 9.708 -29.046 1.00 0.00 H new ATOM 1085 N VAL A 56 21.358 5.525 -21.904 1.00 0.00 N ATOM 1086 CA VAL A 56 21.657 5.114 -20.500 1.00 0.00 C ATOM 1087 C VAL A 56 23.163 4.847 -20.371 1.00 0.00 C ATOM 1088 O VAL A 56 23.737 4.087 -21.153 1.00 0.00 O ATOM 1089 CB VAL A 56 20.885 3.842 -20.133 1.00 0.00 C ATOM 1090 CG1 VAL A 56 20.959 3.622 -18.621 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.418 3.980 -20.552 1.00 0.00 C ATOM 0 H VAL A 56 21.766 4.934 -22.628 1.00 0.00 H new ATOM 0 HA VAL A 56 21.353 5.913 -19.824 1.00 0.00 H new ATOM 0 HB VAL A 56 21.329 2.993 -20.653 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.410 2.718 -18.358 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.001 3.515 -18.319 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.518 4.476 -18.107 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.877 3.071 -20.287 1.00 0.00 H new ATOM 0 HG22 VAL A 56 18.971 4.831 -20.038 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.360 4.136 -21.629 1.00 0.00 H new ATOM 1092 N ILE A 57 23.819 5.451 -19.405 1.00 0.00 N ATOM 1093 CA ILE A 57 25.279 5.223 -19.242 1.00 0.00 C ATOM 1094 C ILE A 57 25.521 4.514 -17.905 1.00 0.00 C ATOM 1095 O ILE A 57 24.691 4.588 -17.001 1.00 0.00 O ATOM 1096 CB ILE A 57 26.005 6.571 -19.247 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.687 7.312 -20.548 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.513 6.344 -19.146 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.942 8.809 -20.360 1.00 0.00 C ATOM 0 H ILE A 57 23.401 6.089 -18.728 1.00 0.00 H new ATOM 0 HA ILE A 57 25.656 4.608 -20.059 1.00 0.00 H new ATOM 0 HB ILE A 57 25.673 7.165 -18.396 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.305 6.926 -21.359 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.648 7.142 -20.831 1.00 0.00 H new ATOM 0 HG21 ILE A 57 28.027 7.305 -19.150 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.740 5.815 -18.220 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.849 5.750 -19.996 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.715 9.336 -21.287 1.00 0.00 H new ATOM 0 HD12 ILE A 57 25.305 9.189 -19.561 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.988 8.970 -20.098 1.00 0.00 H new ATOM 1100 N PHE A 58 26.631 3.829 -17.750 1.00 0.00 N ATOM 1101 CA PHE A 58 26.895 3.131 -16.462 1.00 0.00 C ATOM 1102 C PHE A 58 28.312 3.475 -15.982 1.00 0.00 C ATOM 1103 O PHE A 58 29.202 3.715 -16.795 1.00 0.00 O ATOM 1104 CB PHE A 58 26.774 1.619 -16.668 1.00 0.00 C ATOM 1105 CG PHE A 58 25.346 1.277 -17.023 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.841 1.613 -18.285 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.527 0.626 -16.092 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.518 1.297 -18.617 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.205 0.311 -16.424 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.700 0.646 -17.686 1.00 0.00 C ATOM 0 H PHE A 58 27.358 3.727 -18.458 1.00 0.00 H new ATOM 0 HA PHE A 58 26.170 3.452 -15.714 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.446 1.293 -17.462 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.072 1.092 -15.762 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.472 2.116 -19.003 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.916 0.367 -15.118 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.129 1.555 -19.591 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.573 -0.191 -15.706 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.679 0.402 -17.941 1.00 0.00 H new ATOM 1111 N LYS A 59 28.553 3.503 -14.681 1.00 0.00 N ATOM 1112 CA LYS A 59 29.939 3.828 -14.179 1.00 0.00 C ATOM 1113 C LYS A 59 30.955 2.954 -14.932 1.00 0.00 C ATOM 1114 O LYS A 59 31.792 3.461 -15.678 1.00 0.00 O ATOM 1115 CB LYS A 59 30.044 3.553 -12.671 1.00 0.00 C ATOM 1116 CG LYS A 59 31.151 4.421 -12.069 1.00 0.00 C ATOM 1117 CD LYS A 59 30.893 4.618 -10.572 1.00 0.00 C ATOM 1118 CE LYS A 59 32.224 4.617 -9.817 1.00 0.00 C ATOM 1119 NZ LYS A 59 32.782 5.998 -9.793 1.00 0.00 N ATOM 0 H LYS A 59 27.860 3.318 -13.956 1.00 0.00 H new ATOM 0 HA LYS A 59 30.146 4.884 -14.353 1.00 0.00 H new ATOM 0 HB2 LYS A 59 29.093 3.769 -12.184 1.00 0.00 H new ATOM 0 HB3 LYS A 59 30.259 2.499 -12.497 1.00 0.00 H new ATOM 0 HG2 LYS A 59 32.121 3.948 -12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 59 31.184 5.387 -12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 59 30.369 5.559 -10.404 1.00 0.00 H new ATOM 0 HD3 LYS A 59 30.249 3.823 -10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 59 32.077 4.255 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 59 32.927 3.937 -10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 33.687 5.998 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 32.937 6.327 -10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 32.113 6.635 -9.315 1.00 0.00 H new ATOM 1120 N GLU A 60 30.863 1.649 -14.800 1.00 0.00 N ATOM 1121 CA GLU A 60 31.779 0.762 -15.559 1.00 0.00 C ATOM 1122 C GLU A 60 31.016 0.333 -16.809 1.00 0.00 C ATOM 1123 O GLU A 60 29.787 0.413 -16.833 1.00 0.00 O ATOM 1124 CB GLU A 60 32.150 -0.463 -14.718 1.00 0.00 C ATOM 1125 CG GLU A 60 33.603 -0.853 -14.999 1.00 0.00 C ATOM 1126 CD GLU A 60 34.540 0.182 -14.373 1.00 0.00 C ATOM 1127 OE1 GLU A 60 34.632 0.210 -13.157 1.00 0.00 O ATOM 1128 OE2 GLU A 60 35.148 0.929 -15.120 1.00 0.00 O ATOM 0 H GLU A 60 30.192 1.170 -14.199 1.00 0.00 H new ATOM 0 HA GLU A 60 32.706 1.274 -15.815 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.020 -0.243 -13.658 1.00 0.00 H new ATOM 0 HB3 GLU A 60 31.487 -1.295 -14.955 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.811 -1.842 -14.590 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.774 -0.911 -16.074 1.00 0.00 H new ATOM 1129 N VAL A 61 31.682 -0.096 -17.856 1.00 0.00 N ATOM 1130 CA VAL A 61 30.924 -0.474 -19.084 1.00 0.00 C ATOM 1131 C VAL A 61 30.518 -1.972 -19.095 1.00 0.00 C ATOM 1132 O VAL A 61 30.199 -2.514 -20.152 1.00 0.00 O ATOM 1133 CB VAL A 61 31.759 -0.115 -20.323 1.00 0.00 C ATOM 1134 CG1 VAL A 61 32.877 -1.139 -20.546 1.00 0.00 C ATOM 1135 CG2 VAL A 61 30.837 -0.063 -21.539 1.00 0.00 C ATOM 0 H VAL A 61 32.695 -0.198 -17.911 1.00 0.00 H new ATOM 0 HA VAL A 61 29.992 0.090 -19.096 1.00 0.00 H new ATOM 0 HB VAL A 61 32.227 0.858 -20.171 1.00 0.00 H new ATOM 0 HG11 VAL A 61 33.453 -0.862 -21.429 1.00 0.00 H new ATOM 0 HG12 VAL A 61 33.533 -1.157 -19.676 1.00 0.00 H new ATOM 0 HG13 VAL A 61 32.441 -2.127 -20.692 1.00 0.00 H new ATOM 0 HG21 VAL A 61 31.418 0.191 -22.426 1.00 0.00 H new ATOM 0 HG22 VAL A 61 30.366 -1.036 -21.680 1.00 0.00 H new ATOM 0 HG23 VAL A 61 30.068 0.693 -21.380 1.00 0.00 H new ATOM 1136 N SER A 62 30.493 -2.648 -17.962 1.00 0.00 N ATOM 1137 CA SER A 62 30.076 -4.082 -17.966 1.00 0.00 C ATOM 1138 C SER A 62 28.566 -4.173 -17.674 1.00 0.00 C ATOM 1139 O SER A 62 27.866 -4.997 -18.259 1.00 0.00 O ATOM 1140 CB SER A 62 30.853 -4.859 -16.902 1.00 0.00 C ATOM 1141 OG SER A 62 31.998 -4.110 -16.515 1.00 0.00 O ATOM 0 H SER A 62 30.741 -2.268 -17.049 1.00 0.00 H new ATOM 0 HA SER A 62 30.288 -4.515 -18.944 1.00 0.00 H new ATOM 0 HB2 SER A 62 30.218 -5.047 -16.036 1.00 0.00 H new ATOM 0 HB3 SER A 62 31.155 -5.831 -17.293 1.00 0.00 H new ATOM 0 HG SER A 62 32.497 -4.605 -15.832 1.00 0.00 H new ATOM 1142 N SER A 63 28.043 -3.347 -16.787 1.00 0.00 N ATOM 1143 CA SER A 63 26.573 -3.408 -16.485 1.00 0.00 C ATOM 1144 C SER A 63 25.757 -3.071 -17.747 1.00 0.00 C ATOM 1145 O SER A 63 24.673 -3.617 -17.952 1.00 0.00 O ATOM 1146 CB SER A 63 26.215 -2.408 -15.378 1.00 0.00 C ATOM 1147 OG SER A 63 27.190 -2.482 -14.346 1.00 0.00 O ATOM 0 H SER A 63 28.566 -2.643 -16.267 1.00 0.00 H new ATOM 0 HA SER A 63 26.334 -4.418 -16.154 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.174 -1.397 -15.784 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.226 -2.630 -14.977 1.00 0.00 H new ATOM 0 HG SER A 63 27.164 -1.661 -13.812 1.00 0.00 H new ATOM 1148 N ALA A 64 26.250 -2.203 -18.611 1.00 0.00 N ATOM 1149 CA ALA A 64 25.480 -1.878 -19.852 1.00 0.00 C ATOM 1150 C ALA A 64 25.488 -3.105 -20.769 1.00 0.00 C ATOM 1151 O ALA A 64 24.527 -3.354 -21.494 1.00 0.00 O ATOM 1152 CB ALA A 64 26.114 -0.683 -20.585 1.00 0.00 C ATOM 0 H ALA A 64 27.140 -1.715 -18.508 1.00 0.00 H new ATOM 0 HA ALA A 64 24.458 -1.613 -19.583 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.540 -0.462 -21.485 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.112 0.188 -19.930 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.140 -0.928 -20.860 1.00 0.00 H new ATOM 1153 N THR A 65 26.552 -3.885 -20.757 1.00 0.00 N ATOM 1154 CA THR A 65 26.591 -5.090 -21.635 1.00 0.00 C ATOM 1155 C THR A 65 25.509 -6.089 -21.193 1.00 0.00 C ATOM 1156 O THR A 65 24.852 -6.712 -22.026 1.00 0.00 O ATOM 1157 CB THR A 65 27.969 -5.764 -21.556 1.00 0.00 C ATOM 1158 OG1 THR A 65 28.983 -4.798 -21.802 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.059 -6.878 -22.599 1.00 0.00 C ATOM 0 H THR A 65 27.381 -3.735 -20.182 1.00 0.00 H new ATOM 0 HA THR A 65 26.406 -4.779 -22.663 1.00 0.00 H new ATOM 0 HB THR A 65 28.106 -6.191 -20.562 1.00 0.00 H new ATOM 0 HG1 THR A 65 28.854 -4.407 -22.691 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.038 -7.354 -22.540 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.283 -7.619 -22.407 1.00 0.00 H new ATOM 0 HG23 THR A 65 27.920 -6.456 -23.595 1.00 0.00 H new ATOM 1160 N ASN A 66 25.305 -6.260 -19.904 1.00 0.00 N ATOM 1161 CA ASN A 66 24.256 -7.227 -19.436 1.00 0.00 C ATOM 1162 C ASN A 66 22.855 -6.707 -19.803 1.00 0.00 C ATOM 1163 O ASN A 66 21.957 -7.491 -20.097 1.00 0.00 O ATOM 1164 CB ASN A 66 24.344 -7.412 -17.915 1.00 0.00 C ATOM 1165 CG ASN A 66 25.602 -8.217 -17.568 1.00 0.00 C ATOM 1166 OD1 ASN A 66 26.467 -7.734 -16.841 1.00 0.00 O ATOM 1167 ND2 ASN A 66 25.758 -9.427 -18.048 1.00 0.00 N ATOM 0 H ASN A 66 25.814 -5.777 -19.164 1.00 0.00 H new ATOM 0 HA ASN A 66 24.428 -8.185 -19.926 1.00 0.00 H new ATOM 0 HB2 ASN A 66 24.374 -6.441 -17.421 1.00 0.00 H new ATOM 0 HB3 ASN A 66 23.457 -7.929 -17.549 1.00 0.00 H new ATOM 0 HD21 ASN A 66 26.595 -9.963 -17.818 1.00 0.00 H new ATOM 0 HD22 ASN A 66 25.043 -9.832 -18.652 1.00 0.00 H new ATOM 1168 N ALA A 67 22.636 -5.406 -19.784 1.00 0.00 N ATOM 1169 CA ALA A 67 21.276 -4.874 -20.132 1.00 0.00 C ATOM 1170 C ALA A 67 20.982 -5.061 -21.635 1.00 0.00 C ATOM 1171 O ALA A 67 19.826 -5.204 -22.029 1.00 0.00 O ATOM 1172 CB ALA A 67 21.191 -3.380 -19.794 1.00 0.00 C ATOM 0 H ALA A 67 23.332 -4.700 -19.545 1.00 0.00 H new ATOM 0 HA ALA A 67 20.540 -5.429 -19.550 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.200 -3.005 -20.051 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.368 -3.237 -18.728 1.00 0.00 H new ATOM 0 HB3 ALA A 67 21.944 -2.835 -20.363 1.00 0.00 H new ATOM 1173 N LEU A 68 21.988 -5.048 -22.489 1.00 0.00 N ATOM 1174 CA LEU A 68 21.719 -5.210 -23.956 1.00 0.00 C ATOM 1175 C LEU A 68 21.396 -6.679 -24.277 1.00 0.00 C ATOM 1176 O LEU A 68 20.366 -6.975 -24.882 1.00 0.00 O ATOM 1177 CB LEU A 68 22.950 -4.774 -24.760 1.00 0.00 C ATOM 1178 CG LEU A 68 22.505 -4.137 -26.079 1.00 0.00 C ATOM 1179 CD1 LEU A 68 23.428 -2.964 -26.416 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.574 -5.177 -27.200 1.00 0.00 C ATOM 0 H LEU A 68 22.969 -4.934 -22.235 1.00 0.00 H new ATOM 0 HA LEU A 68 20.866 -4.588 -24.227 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.540 -4.063 -24.182 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.590 -5.634 -24.958 1.00 0.00 H new ATOM 0 HG LEU A 68 21.481 -3.778 -25.980 1.00 0.00 H new ATOM 0 HD11 LEU A 68 23.112 -2.510 -27.355 1.00 0.00 H new ATOM 0 HD12 LEU A 68 23.379 -2.222 -25.619 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.452 -3.324 -26.514 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.257 -4.722 -28.138 1.00 0.00 H new ATOM 0 HD22 LEU A 68 23.598 -5.538 -27.299 1.00 0.00 H new ATOM 0 HD23 LEU A 68 21.916 -6.013 -26.962 1.00 0.00 H new ATOM 1181 N ARG A 69 22.248 -7.606 -23.897 1.00 0.00 N ATOM 1182 CA ARG A 69 21.964 -9.049 -24.204 1.00 0.00 C ATOM 1183 C ARG A 69 20.904 -9.645 -23.245 1.00 0.00 C ATOM 1184 O ARG A 69 20.492 -10.791 -23.423 1.00 0.00 O ATOM 1185 CB ARG A 69 23.261 -9.869 -24.101 1.00 0.00 C ATOM 1186 CG ARG A 69 23.799 -9.827 -22.662 1.00 0.00 C ATOM 1187 CD ARG A 69 25.299 -9.518 -22.677 1.00 0.00 C ATOM 1188 NE ARG A 69 26.044 -10.705 -23.186 1.00 0.00 N ATOM 1189 CZ ARG A 69 27.013 -10.546 -24.045 1.00 0.00 C ATOM 1190 NH1 ARG A 69 26.821 -9.839 -25.124 1.00 0.00 N ATOM 1191 NH2 ARG A 69 28.176 -11.096 -23.825 1.00 0.00 N ATOM 0 H ARG A 69 23.117 -7.430 -23.394 1.00 0.00 H new ATOM 0 HA ARG A 69 21.568 -9.097 -25.218 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.073 -10.901 -24.397 1.00 0.00 H new ATOM 0 HB3 ARG A 69 24.008 -9.471 -24.788 1.00 0.00 H new ATOM 0 HG2 ARG A 69 23.268 -9.068 -22.088 1.00 0.00 H new ATOM 0 HG3 ARG A 69 23.620 -10.783 -22.169 1.00 0.00 H new ATOM 0 HD2 ARG A 69 25.497 -8.652 -23.309 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.639 -9.264 -21.673 1.00 0.00 H new ATOM 0 HE ARG A 69 25.796 -11.640 -22.863 1.00 0.00 H new ATOM 0 HH11 ARG A 69 25.912 -9.409 -25.297 1.00 0.00 H new ATOM 0 HH12 ARG A 69 27.580 -9.716 -25.795 1.00 0.00 H new ATOM 0 HH21 ARG A 69 28.327 -11.650 -22.982 1.00 0.00 H new ATOM 0 HH22 ARG A 69 28.934 -10.972 -24.496 1.00 0.00 H new ATOM 1192 N SER A 70 20.448 -8.922 -22.238 1.00 0.00 N ATOM 1193 CA SER A 70 19.428 -9.502 -21.313 1.00 0.00 C ATOM 1194 C SER A 70 18.019 -9.101 -21.773 1.00 0.00 C ATOM 1195 O SER A 70 17.091 -9.907 -21.725 1.00 0.00 O ATOM 1196 CB SER A 70 19.664 -8.986 -19.891 1.00 0.00 C ATOM 1197 OG SER A 70 20.845 -9.578 -19.366 1.00 0.00 O ATOM 0 H SER A 70 20.739 -7.968 -22.025 1.00 0.00 H new ATOM 0 HA SER A 70 19.517 -10.588 -21.324 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.760 -7.900 -19.897 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.810 -9.227 -19.258 1.00 0.00 H new ATOM 0 HG SER A 70 21.604 -8.973 -19.505 1.00 0.00 H new ATOM 1198 N MET A 71 17.830 -7.876 -22.218 1.00 0.00 N ATOM 1199 CA MET A 71 16.475 -7.453 -22.672 1.00 0.00 C ATOM 1200 C MET A 71 16.469 -7.281 -24.199 1.00 0.00 C ATOM 1201 O MET A 71 15.843 -6.361 -24.724 1.00 0.00 O ATOM 1202 CB MET A 71 16.110 -6.123 -22.007 1.00 0.00 C ATOM 1203 CG MET A 71 16.181 -6.276 -20.487 1.00 0.00 C ATOM 1204 SD MET A 71 14.528 -6.628 -19.838 1.00 0.00 S ATOM 1205 CE MET A 71 13.857 -4.957 -20.014 1.00 0.00 C ATOM 0 H MET A 71 18.554 -7.161 -22.283 1.00 0.00 H new ATOM 0 HA MET A 71 15.746 -8.214 -22.394 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.793 -5.340 -22.337 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.107 -5.818 -22.306 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.866 -7.082 -20.224 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.573 -5.364 -20.037 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.145 -4.764 -19.211 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.669 -4.232 -19.961 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.352 -4.867 -20.976 1.00 0.00 H new ATOM 1206 N GLN A 72 17.147 -8.144 -24.929 1.00 0.00 N ATOM 1207 CA GLN A 72 17.156 -8.003 -26.422 1.00 0.00 C ATOM 1208 C GLN A 72 15.716 -8.100 -26.946 1.00 0.00 C ATOM 1209 O GLN A 72 15.149 -9.189 -27.026 1.00 0.00 O ATOM 1210 CB GLN A 72 18.002 -9.115 -27.060 1.00 0.00 C ATOM 1211 CG GLN A 72 18.198 -8.823 -28.551 1.00 0.00 C ATOM 1212 CD GLN A 72 19.589 -8.216 -28.775 1.00 0.00 C ATOM 1213 OE1 GLN A 72 19.800 -6.949 -28.510 1.00 0.00 O flip ATOM 1214 NE2 GLN A 72 20.508 -8.911 -29.204 1.00 0.00 N flip ATOM 0 H GLN A 72 17.686 -8.927 -24.560 1.00 0.00 H new ATOM 0 HA GLN A 72 17.587 -7.037 -26.684 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.969 -9.180 -26.562 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.511 -10.079 -26.930 1.00 0.00 H new ATOM 0 HG2 GLN A 72 18.093 -9.741 -29.129 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.429 -8.135 -28.902 1.00 0.00 H new ATOM 0 HE21 GLN A 72 20.348 -9.897 -29.411 1.00 0.00 H new ATOM 0 HE22 GLN A 72 21.430 -8.502 -29.353 1.00 0.00 H new ATOM 1215 N GLY A 73 15.106 -6.989 -27.301 1.00 0.00 N ATOM 1216 CA GLY A 73 13.706 -7.041 -27.812 1.00 0.00 C ATOM 1217 C GLY A 73 12.748 -7.320 -26.645 1.00 0.00 C ATOM 1218 O GLY A 73 12.095 -8.361 -26.602 1.00 0.00 O ATOM 0 H GLY A 73 15.519 -6.057 -27.257 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.447 -6.097 -28.292 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.612 -7.820 -28.569 1.00 0.00 H new ATOM 1219 N PHE A 74 12.648 -6.415 -25.693 1.00 0.00 N ATOM 1220 CA PHE A 74 11.730 -6.648 -24.541 1.00 0.00 C ATOM 1221 C PHE A 74 10.682 -5.522 -24.480 1.00 0.00 C ATOM 1222 O PHE A 74 10.888 -4.462 -25.066 1.00 0.00 O ATOM 1223 CB PHE A 74 12.537 -6.665 -23.241 1.00 0.00 C ATOM 1224 CG PHE A 74 12.901 -8.088 -22.893 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.759 -8.815 -23.727 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.379 -8.681 -21.737 1.00 0.00 C ATOM 1227 CE1 PHE A 74 14.096 -10.135 -23.404 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.715 -10.001 -21.416 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.574 -10.728 -22.249 1.00 0.00 C ATOM 0 H PHE A 74 13.161 -5.534 -25.670 1.00 0.00 H new ATOM 0 HA PHE A 74 11.225 -7.606 -24.669 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.440 -6.064 -23.353 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.956 -6.219 -22.434 1.00 0.00 H new ATOM 0 HD1 PHE A 74 14.161 -8.358 -24.619 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.717 -8.120 -21.093 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.759 -10.696 -24.046 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.311 -10.459 -20.525 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.834 -11.746 -22.000 1.00 0.00 H new ATOM 1230 N PRO A 75 9.583 -5.763 -23.784 1.00 0.00 N ATOM 1231 CA PRO A 75 8.508 -4.762 -23.657 1.00 0.00 C ATOM 1232 C PRO A 75 8.883 -3.686 -22.623 1.00 0.00 C ATOM 1233 O PRO A 75 9.381 -3.997 -21.542 1.00 0.00 O ATOM 1234 CB PRO A 75 7.304 -5.580 -23.179 1.00 0.00 C ATOM 1235 CG PRO A 75 7.876 -6.856 -22.520 1.00 0.00 C ATOM 1236 CD PRO A 75 9.305 -7.033 -23.065 1.00 0.00 C ATOM 0 HA PRO A 75 8.314 -4.229 -24.588 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.706 -5.011 -22.468 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.651 -5.834 -24.014 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.885 -6.760 -21.434 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.261 -7.724 -22.758 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.020 -7.199 -22.259 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.373 -7.892 -23.733 1.00 0.00 H new ATOM 1237 N PHE A 76 8.650 -2.428 -22.927 1.00 0.00 N ATOM 1238 CA PHE A 76 8.987 -1.348 -21.958 1.00 0.00 C ATOM 1239 C PHE A 76 7.712 -0.545 -21.654 1.00 0.00 C ATOM 1240 O PHE A 76 7.271 -0.476 -20.508 1.00 0.00 O ATOM 1241 CB PHE A 76 10.052 -0.431 -22.573 1.00 0.00 C ATOM 1242 CG PHE A 76 10.733 0.373 -21.488 1.00 0.00 C ATOM 1243 CD1 PHE A 76 11.218 -0.261 -20.336 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.879 1.757 -21.637 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.846 0.491 -19.337 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.507 2.507 -20.636 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.990 1.874 -19.486 1.00 0.00 C ATOM 0 H PHE A 76 8.241 -2.109 -23.805 1.00 0.00 H new ATOM 0 HA PHE A 76 9.378 -1.775 -21.035 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.789 -1.027 -23.112 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.591 0.239 -23.299 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.107 -1.329 -20.219 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.507 2.246 -22.525 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.220 0.003 -18.449 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.619 3.575 -20.752 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.474 2.453 -18.713 1.00 0.00 H new ATOM 1248 N TYR A 77 7.097 0.048 -22.656 1.00 0.00 N ATOM 1249 CA TYR A 77 5.848 0.819 -22.413 1.00 0.00 C ATOM 1250 C TYR A 77 4.746 0.282 -23.338 1.00 0.00 C ATOM 1251 O TYR A 77 4.305 0.967 -24.259 1.00 0.00 O ATOM 1252 CB TYR A 77 6.090 2.299 -22.705 1.00 0.00 C ATOM 1253 CG TYR A 77 6.453 3.003 -21.422 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.774 2.987 -20.970 1.00 0.00 C ATOM 1255 CD2 TYR A 77 5.470 3.673 -20.687 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.116 3.638 -19.781 1.00 0.00 C ATOM 1257 CE2 TYR A 77 5.808 4.328 -19.498 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.133 4.309 -19.044 1.00 0.00 C ATOM 1259 OH TYR A 77 7.467 4.953 -17.872 1.00 0.00 O ATOM 0 H TYR A 77 7.412 0.027 -23.626 1.00 0.00 H new ATOM 0 HA TYR A 77 5.543 0.709 -21.372 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.891 2.412 -23.435 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.197 2.747 -23.140 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.533 2.471 -21.540 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.449 3.685 -21.038 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.138 3.623 -19.431 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.049 4.847 -18.931 1.00 0.00 H new ATOM 0 HH TYR A 77 8.439 4.926 -17.750 1.00 0.00 H new ATOM 1260 N ASP A 78 4.292 -0.935 -23.118 1.00 0.00 N ATOM 1261 CA ASP A 78 3.224 -1.507 -23.992 1.00 0.00 C ATOM 1262 C ASP A 78 3.745 -1.621 -25.434 1.00 0.00 C ATOM 1263 O ASP A 78 3.031 -1.308 -26.386 1.00 0.00 O ATOM 1264 CB ASP A 78 1.986 -0.604 -23.965 1.00 0.00 C ATOM 1265 CG ASP A 78 1.608 -0.296 -22.515 1.00 0.00 C ATOM 1266 OD1 ASP A 78 2.143 0.657 -21.973 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.789 -1.019 -21.971 1.00 0.00 O ATOM 0 H ASP A 78 4.617 -1.550 -22.372 1.00 0.00 H new ATOM 0 HA ASP A 78 2.953 -2.496 -23.623 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.187 0.322 -24.504 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.155 -1.094 -24.472 1.00 0.00 H new ATOM 1268 N LYS A 79 4.972 -2.063 -25.622 1.00 0.00 N ATOM 1269 CA LYS A 79 5.510 -2.188 -27.016 1.00 0.00 C ATOM 1270 C LYS A 79 6.907 -2.848 -26.988 1.00 0.00 C ATOM 1271 O LYS A 79 7.634 -2.695 -26.010 1.00 0.00 O ATOM 1272 CB LYS A 79 5.614 -0.791 -27.643 1.00 0.00 C ATOM 1273 CG LYS A 79 5.008 -0.804 -29.052 1.00 0.00 C ATOM 1274 CD LYS A 79 4.243 0.498 -29.295 1.00 0.00 C ATOM 1275 CE LYS A 79 5.233 1.624 -29.596 1.00 0.00 C ATOM 1276 NZ LYS A 79 5.715 1.500 -31.001 1.00 0.00 N ATOM 0 H LYS A 79 5.615 -2.339 -24.879 1.00 0.00 H new ATOM 0 HA LYS A 79 4.838 -2.809 -27.608 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.093 -0.064 -27.020 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.658 -0.481 -27.690 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.796 -0.919 -29.796 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.338 -1.657 -29.163 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.551 0.375 -30.128 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.645 0.750 -28.419 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.755 2.592 -29.449 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.075 1.576 -28.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.178 2.386 -31.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.396 0.716 -31.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.908 1.311 -31.629 1.00 0.00 H new ATOM 1277 N PRO A 80 7.264 -3.563 -28.044 1.00 0.00 N ATOM 1278 CA PRO A 80 8.574 -4.237 -28.120 1.00 0.00 C ATOM 1279 C PRO A 80 9.676 -3.225 -28.475 1.00 0.00 C ATOM 1280 O PRO A 80 9.435 -2.260 -29.198 1.00 0.00 O ATOM 1281 CB PRO A 80 8.392 -5.262 -29.244 1.00 0.00 C ATOM 1282 CG PRO A 80 7.222 -4.752 -30.116 1.00 0.00 C ATOM 1283 CD PRO A 80 6.415 -3.772 -29.246 1.00 0.00 C ATOM 0 HA PRO A 80 8.873 -4.697 -27.178 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.303 -5.357 -29.834 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.172 -6.249 -28.837 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.595 -4.257 -31.012 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.596 -5.581 -30.447 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.230 -2.834 -29.770 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.442 -4.185 -28.979 1.00 0.00 H new ATOM 1284 N MET A 81 10.882 -3.421 -27.985 1.00 0.00 N ATOM 1285 CA MET A 81 11.979 -2.460 -28.305 1.00 0.00 C ATOM 1286 C MET A 81 13.330 -3.193 -28.324 1.00 0.00 C ATOM 1287 O MET A 81 13.605 -4.030 -27.465 1.00 0.00 O ATOM 1288 CB MET A 81 12.014 -1.348 -27.251 1.00 0.00 C ATOM 1289 CG MET A 81 12.036 -1.960 -25.848 1.00 0.00 C ATOM 1290 SD MET A 81 12.910 -0.848 -24.718 1.00 0.00 S ATOM 1291 CE MET A 81 13.926 -2.104 -23.904 1.00 0.00 C ATOM 0 H MET A 81 11.147 -4.200 -27.383 1.00 0.00 H new ATOM 0 HA MET A 81 11.795 -2.024 -29.287 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.895 -0.723 -27.398 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.143 -0.702 -27.362 1.00 0.00 H new ATOM 0 HG2 MET A 81 11.018 -2.126 -25.496 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.528 -2.932 -25.871 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.557 -1.630 -23.152 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.280 -2.839 -23.424 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.554 -2.600 -24.644 1.00 0.00 H new ATOM 1292 N ARG A 82 14.184 -2.897 -29.282 1.00 0.00 N ATOM 1293 CA ARG A 82 15.510 -3.581 -29.336 1.00 0.00 C ATOM 1294 C ARG A 82 16.575 -2.664 -28.722 1.00 0.00 C ATOM 1295 O ARG A 82 16.469 -1.441 -28.796 1.00 0.00 O ATOM 1296 CB ARG A 82 15.873 -3.885 -30.793 1.00 0.00 C ATOM 1297 CG ARG A 82 16.548 -5.256 -30.881 1.00 0.00 C ATOM 1298 CD ARG A 82 18.064 -5.088 -30.768 1.00 0.00 C ATOM 1299 NE ARG A 82 18.658 -5.007 -32.132 1.00 0.00 N ATOM 1300 CZ ARG A 82 19.149 -6.077 -32.694 1.00 0.00 C ATOM 1301 NH1 ARG A 82 18.489 -7.202 -32.648 1.00 0.00 N ATOM 1302 NH2 ARG A 82 20.302 -6.022 -33.304 1.00 0.00 N ATOM 0 H ARG A 82 14.016 -2.215 -30.022 1.00 0.00 H new ATOM 0 HA ARG A 82 15.463 -4.515 -28.776 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.976 -3.870 -31.412 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.540 -3.115 -31.180 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.183 -5.904 -30.084 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.294 -5.738 -31.825 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.300 -4.186 -30.203 1.00 0.00 H new ATOM 0 HD3 ARG A 82 18.494 -5.928 -30.222 1.00 0.00 H new ATOM 0 HE ARG A 82 18.681 -4.115 -32.626 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.588 -7.246 -32.172 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.874 -8.038 -33.088 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.818 -5.143 -33.341 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.687 -6.858 -33.744 1.00 0.00 H new ATOM 1303 N ILE A 83 17.597 -3.222 -28.110 1.00 0.00 N ATOM 1304 CA ILE A 83 18.648 -2.362 -27.492 1.00 0.00 C ATOM 1305 C ILE A 83 19.958 -2.475 -28.287 1.00 0.00 C ATOM 1306 O ILE A 83 20.357 -3.562 -28.702 1.00 0.00 O ATOM 1307 CB ILE A 83 18.890 -2.809 -26.050 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.568 -2.787 -25.282 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.884 -1.857 -25.380 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.780 -3.377 -23.887 1.00 0.00 C ATOM 0 H ILE A 83 17.744 -4.227 -28.015 1.00 0.00 H new ATOM 0 HA ILE A 83 18.311 -1.326 -27.505 1.00 0.00 H new ATOM 0 HB ILE A 83 19.297 -3.820 -26.047 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.197 -1.765 -25.204 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.813 -3.360 -25.820 1.00 0.00 H new ATOM 0 HG21 ILE A 83 20.057 -2.176 -24.352 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.827 -1.871 -25.927 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.478 -0.846 -25.383 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.838 -3.362 -23.339 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.131 -4.405 -23.976 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.522 -2.785 -23.351 1.00 0.00 H new ATOM 1311 N GLN A 84 20.643 -1.372 -28.499 1.00 0.00 N ATOM 1312 CA GLN A 84 21.930 -1.419 -29.253 1.00 0.00 C ATOM 1313 C GLN A 84 22.902 -0.404 -28.634 1.00 0.00 C ATOM 1314 O GLN A 84 22.501 0.699 -28.273 1.00 0.00 O ATOM 1315 CB GLN A 84 21.679 -1.061 -30.721 1.00 0.00 C ATOM 1316 CG GLN A 84 20.933 0.274 -30.803 1.00 0.00 C ATOM 1317 CD GLN A 84 20.587 0.587 -32.266 1.00 0.00 C ATOM 1318 OE1 GLN A 84 20.836 -0.226 -33.154 1.00 0.00 O ATOM 1319 NE2 GLN A 84 20.020 1.729 -32.573 1.00 0.00 N ATOM 0 H GLN A 84 20.362 -0.445 -28.181 1.00 0.00 H new ATOM 0 HA GLN A 84 22.356 -2.421 -29.199 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.626 -0.994 -31.257 1.00 0.00 H new ATOM 0 HB3 GLN A 84 21.095 -1.846 -31.203 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.022 0.230 -30.206 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.549 1.071 -30.387 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.811 2.408 -31.841 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.788 1.939 -33.544 1.00 0.00 H new ATOM 1320 N TYR A 85 24.168 -0.744 -28.493 1.00 0.00 N ATOM 1321 CA TYR A 85 25.137 0.231 -27.878 1.00 0.00 C ATOM 1322 C TYR A 85 25.025 1.595 -28.584 1.00 0.00 C ATOM 1323 O TYR A 85 24.293 1.742 -29.561 1.00 0.00 O ATOM 1324 CB TYR A 85 26.579 -0.276 -28.019 1.00 0.00 C ATOM 1325 CG TYR A 85 26.862 -1.368 -27.008 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.483 -1.219 -25.661 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.521 -2.533 -27.421 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.764 -2.236 -24.742 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.802 -3.546 -26.499 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.424 -3.398 -25.161 1.00 0.00 C ATOM 1331 OH TYR A 85 27.706 -4.398 -24.256 1.00 0.00 O ATOM 0 H TYR A 85 24.568 -1.640 -28.772 1.00 0.00 H new ATOM 0 HA TYR A 85 24.891 0.332 -26.821 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.739 -0.657 -29.028 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.276 0.550 -27.875 1.00 0.00 H new ATOM 0 HD1 TYR A 85 25.976 -0.322 -25.337 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.813 -2.649 -28.454 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.472 -2.125 -23.708 1.00 0.00 H new ATOM 0 HE2 TYR A 85 28.311 -4.443 -26.820 1.00 0.00 H new ATOM 0 HH TYR A 85 28.494 -4.897 -24.555 1.00 0.00 H new ATOM 1332 N ALA A 86 25.735 2.597 -28.112 1.00 0.00 N ATOM 1333 CA ALA A 86 25.656 3.936 -28.765 1.00 0.00 C ATOM 1334 C ALA A 86 26.802 4.078 -29.777 1.00 0.00 C ATOM 1335 O ALA A 86 27.778 3.331 -29.729 1.00 0.00 O ATOM 1336 CB ALA A 86 25.764 5.037 -27.705 1.00 0.00 C ATOM 0 H ALA A 86 26.360 2.541 -27.308 1.00 0.00 H new ATOM 0 HA ALA A 86 24.701 4.031 -29.282 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.706 6.013 -28.187 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.947 4.936 -26.991 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.716 4.947 -27.182 1.00 0.00 H new ATOM 1337 N LYS A 87 26.709 5.016 -30.697 1.00 0.00 N ATOM 1338 CA LYS A 87 27.811 5.178 -31.701 1.00 0.00 C ATOM 1339 C LYS A 87 29.106 5.573 -30.978 1.00 0.00 C ATOM 1340 O LYS A 87 30.154 4.965 -31.191 1.00 0.00 O ATOM 1341 CB LYS A 87 27.448 6.265 -32.723 1.00 0.00 C ATOM 1342 CG LYS A 87 26.314 5.764 -33.620 1.00 0.00 C ATOM 1343 CD LYS A 87 25.629 6.956 -34.291 1.00 0.00 C ATOM 1344 CE LYS A 87 24.561 6.451 -35.263 1.00 0.00 C ATOM 1345 NZ LYS A 87 25.218 5.779 -36.419 1.00 0.00 N ATOM 0 H LYS A 87 25.929 5.666 -30.794 1.00 0.00 H new ATOM 0 HA LYS A 87 27.952 4.233 -32.225 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.143 7.176 -32.208 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.320 6.517 -33.327 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.707 5.084 -34.376 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.591 5.201 -33.030 1.00 0.00 H new ATOM 0 HD2 LYS A 87 25.175 7.599 -33.537 1.00 0.00 H new ATOM 0 HD3 LYS A 87 26.364 7.559 -34.824 1.00 0.00 H new ATOM 0 HE2 LYS A 87 23.893 5.755 -34.756 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.949 7.283 -35.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 24.550 5.724 -37.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 26.056 6.324 -36.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 25.508 4.819 -36.144 1.00 0.00 H new ATOM 1346 N THR A 88 29.065 6.575 -30.126 1.00 0.00 N ATOM 1347 CA THR A 88 30.298 6.989 -29.403 1.00 0.00 C ATOM 1348 C THR A 88 30.133 6.698 -27.904 1.00 0.00 C ATOM 1349 O THR A 88 29.091 6.208 -27.472 1.00 0.00 O ATOM 1350 CB THR A 88 30.533 8.487 -29.612 1.00 0.00 C ATOM 1351 OG1 THR A 88 29.311 9.187 -29.422 1.00 0.00 O ATOM 1352 CG2 THR A 88 31.048 8.731 -31.031 1.00 0.00 C ATOM 0 H THR A 88 28.230 7.118 -29.906 1.00 0.00 H new ATOM 0 HA THR A 88 31.152 6.432 -29.789 1.00 0.00 H new ATOM 0 HB THR A 88 31.272 8.843 -28.894 1.00 0.00 H new ATOM 0 HG1 THR A 88 29.460 10.147 -29.554 1.00 0.00 H new ATOM 0 HG21 THR A 88 31.215 9.798 -31.179 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.985 8.193 -31.175 1.00 0.00 H new ATOM 0 HG23 THR A 88 30.311 8.376 -31.752 1.00 0.00 H new ATOM 1353 N ASP A 89 31.131 6.990 -27.097 1.00 0.00 N ATOM 1354 CA ASP A 89 30.998 6.723 -25.631 1.00 0.00 C ATOM 1355 C ASP A 89 30.319 7.921 -24.958 1.00 0.00 C ATOM 1356 O ASP A 89 29.948 8.887 -25.623 1.00 0.00 O ATOM 1357 CB ASP A 89 32.380 6.505 -25.004 1.00 0.00 C ATOM 1358 CG ASP A 89 33.103 5.375 -25.739 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.577 5.618 -26.836 1.00 0.00 O ATOM 1360 OD2 ASP A 89 33.170 4.287 -25.192 1.00 0.00 O ATOM 0 H ASP A 89 32.020 7.397 -27.389 1.00 0.00 H new ATOM 0 HA ASP A 89 30.397 5.825 -25.486 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.965 7.423 -25.061 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.277 6.258 -23.947 1.00 0.00 H new ATOM 1361 N SER A 90 30.142 7.885 -23.654 1.00 0.00 N ATOM 1362 CA SER A 90 29.482 9.033 -22.966 1.00 0.00 C ATOM 1363 C SER A 90 30.545 9.984 -22.409 1.00 0.00 C ATOM 1364 O SER A 90 31.691 9.592 -22.189 1.00 0.00 O ATOM 1365 CB SER A 90 28.613 8.524 -21.814 1.00 0.00 C ATOM 1366 OG SER A 90 29.368 7.616 -21.018 1.00 0.00 O ATOM 0 H SER A 90 30.425 7.116 -23.047 1.00 0.00 H new ATOM 0 HA SER A 90 28.857 9.561 -23.686 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.270 9.361 -21.205 1.00 0.00 H new ATOM 0 HB3 SER A 90 27.724 8.029 -22.205 1.00 0.00 H new ATOM 0 HG SER A 90 29.953 8.119 -20.413 1.00 0.00 H new ATOM 1367 N ASP A 91 30.192 11.228 -22.165 1.00 0.00 N ATOM 1368 CA ASP A 91 31.192 12.187 -21.613 1.00 0.00 C ATOM 1369 C ASP A 91 31.085 12.268 -20.074 1.00 0.00 C ATOM 1370 O ASP A 91 31.543 13.242 -19.476 1.00 0.00 O ATOM 1371 CB ASP A 91 30.941 13.577 -22.207 1.00 0.00 C ATOM 1372 CG ASP A 91 31.600 13.670 -23.585 1.00 0.00 C ATOM 1373 OD1 ASP A 91 31.013 13.179 -24.535 1.00 0.00 O ATOM 1374 OD2 ASP A 91 32.681 14.230 -23.667 1.00 0.00 O ATOM 0 H ASP A 91 29.261 11.613 -22.325 1.00 0.00 H new ATOM 0 HA ASP A 91 32.190 11.837 -21.876 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.870 13.760 -22.291 1.00 0.00 H new ATOM 0 HB3 ASP A 91 31.344 14.345 -21.547 1.00 0.00 H new ATOM 1375 N ILE A 92 30.494 11.288 -19.408 1.00 0.00 N ATOM 1376 CA ILE A 92 30.383 11.365 -17.930 1.00 0.00 C ATOM 1377 C ILE A 92 31.452 10.480 -17.263 1.00 0.00 C ATOM 1378 O ILE A 92 32.012 10.861 -16.238 1.00 0.00 O ATOM 1379 CB ILE A 92 28.973 10.939 -17.506 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.729 9.466 -17.840 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.946 11.790 -18.250 1.00 0.00 C ATOM 1382 CD1 ILE A 92 27.481 8.984 -17.110 1.00 0.00 C ATOM 0 H ILE A 92 30.092 10.452 -19.833 1.00 0.00 H new ATOM 0 HA ILE A 92 30.554 12.391 -17.605 1.00 0.00 H new ATOM 0 HB ILE A 92 28.877 11.079 -16.429 1.00 0.00 H new ATOM 0 HG12 ILE A 92 28.606 9.341 -18.916 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.591 8.867 -17.546 1.00 0.00 H new ATOM 0 HG21 ILE A 92 26.941 11.491 -17.952 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.099 12.841 -18.006 1.00 0.00 H new ATOM 0 HG23 ILE A 92 28.064 11.646 -19.324 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.304 7.935 -17.346 1.00 0.00 H new ATOM 0 HD12 ILE A 92 27.622 9.096 -16.035 1.00 0.00 H new ATOM 0 HD13 ILE A 92 26.623 9.577 -17.426 1.00 0.00 H new ATOM 1383 N ILE A 93 31.779 9.326 -17.818 1.00 0.00 N ATOM 1384 CA ILE A 93 32.825 8.485 -17.206 1.00 0.00 C ATOM 1385 C ILE A 93 34.195 8.842 -17.833 1.00 0.00 C ATOM 1386 O ILE A 93 35.202 8.215 -17.514 1.00 0.00 O ATOM 1387 CB ILE A 93 32.492 6.954 -17.345 1.00 0.00 C ATOM 1388 CG1 ILE A 93 33.371 6.223 -18.379 1.00 0.00 C ATOM 1389 CG2 ILE A 93 31.029 6.684 -17.708 1.00 0.00 C ATOM 1390 CD1 ILE A 93 33.199 6.870 -19.751 1.00 0.00 C ATOM 0 H ILE A 93 31.357 8.947 -18.666 1.00 0.00 H new ATOM 0 HA ILE A 93 32.867 8.688 -16.136 1.00 0.00 H new ATOM 0 HB ILE A 93 32.703 6.562 -16.350 1.00 0.00 H new ATOM 0 HG12 ILE A 93 34.417 6.265 -18.075 1.00 0.00 H new ATOM 0 HG13 ILE A 93 33.094 5.170 -18.426 1.00 0.00 H new ATOM 0 HG21 ILE A 93 30.866 5.609 -17.788 1.00 0.00 H new ATOM 0 HG22 ILE A 93 30.380 7.092 -16.933 1.00 0.00 H new ATOM 0 HG23 ILE A 93 30.797 7.158 -18.662 1.00 0.00 H new ATOM 0 HD11 ILE A 93 33.822 6.350 -20.479 1.00 0.00 H new ATOM 0 HD12 ILE A 93 32.154 6.805 -20.055 1.00 0.00 H new ATOM 0 HD13 ILE A 93 33.498 7.917 -19.700 1.00 0.00 H new