USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.07 K(o=1.1,f=-8.9!) USER MOD Single : A 40 LYS NZ :NH3+ 139:sc= 1.18 (180deg=0.111) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -38:sc= 0.00152 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.93 K(o=0.93,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.173 K(o=0.17,f=-7.6!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -8:sc= 0.471 USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.17) USER MOD Single : A 65 ASN : amide:sc= 0.426 X(o=0.43,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= 0.69 (180deg=0.603) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot -31:sc= 0.0383 USER MOD Single : A 85 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.019) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -8.831 -5.874 3.110 1.00 0.00 N ATOM 624 CA LEU A 35 -8.718 -5.741 1.656 1.00 0.00 C ATOM 625 C LEU A 35 -9.701 -6.679 0.947 1.00 0.00 C ATOM 626 O LEU A 35 -9.759 -7.879 1.223 1.00 0.00 O ATOM 627 CB LEU A 35 -7.288 -6.024 1.157 1.00 0.00 C ATOM 628 CG LEU A 35 -6.266 -4.916 1.471 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.486 -5.191 2.759 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.259 -4.810 0.326 1.00 0.00 C ATOM 0 HA LEU A 35 -8.963 -4.706 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.941 -6.957 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.318 -6.177 0.078 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.829 -3.991 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.779 -4.381 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.180 -5.257 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.944 -6.132 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.536 -4.025 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.739 -5.761 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.783 -4.568 -0.598 1.00 0.00 H new ATOM 642 N SER A 36 -10.408 -6.112 -0.024 1.00 0.00 N ATOM 643 CA SER A 36 -11.415 -6.775 -0.864 1.00 0.00 C ATOM 644 C SER A 36 -11.008 -6.816 -2.326 1.00 0.00 C ATOM 645 O SER A 36 -10.699 -7.882 -2.863 1.00 0.00 O ATOM 646 CB SER A 36 -12.808 -6.154 -0.666 1.00 0.00 C ATOM 647 OG SER A 36 -13.234 -6.296 0.681 1.00 0.00 O ATOM 0 H SER A 36 -10.293 -5.127 -0.264 1.00 0.00 H new ATOM 0 HA SER A 36 -11.475 -7.812 -0.535 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.782 -5.098 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.524 -6.635 -1.332 1.00 0.00 H new ATOM 0 HG SER A 36 -14.121 -5.894 0.788 1.00 0.00 H new ATOM 653 N GLU A 37 -10.985 -5.662 -2.979 1.00 0.00 N ATOM 654 CA GLU A 37 -10.801 -5.558 -4.428 1.00 0.00 C ATOM 655 C GLU A 37 -10.423 -4.135 -4.843 1.00 0.00 C ATOM 656 O GLU A 37 -9.466 -3.915 -5.584 1.00 0.00 O ATOM 657 CB GLU A 37 -12.121 -5.993 -5.099 1.00 0.00 C ATOM 658 CG GLU A 37 -11.814 -6.942 -6.251 1.00 0.00 C ATOM 659 CD GLU A 37 -13.098 -7.370 -6.988 1.00 0.00 C ATOM 660 OE1 GLU A 37 -13.701 -8.409 -6.618 1.00 0.00 O ATOM 661 OE2 GLU A 37 -13.511 -6.677 -7.949 1.00 0.00 O ATOM 0 H GLU A 37 -11.094 -4.760 -2.516 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.981 -6.203 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.767 -6.484 -4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.660 -5.120 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.135 -6.457 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.301 -7.825 -5.870 1.00 0.00 H new ATOM 668 N GLU A 38 -11.118 -3.154 -4.267 1.00 0.00 N ATOM 669 CA GLU A 38 -10.861 -1.728 -4.466 1.00 0.00 C ATOM 670 C GLU A 38 -9.520 -1.334 -3.825 1.00 0.00 C ATOM 671 O GLU A 38 -8.816 -0.475 -4.344 1.00 0.00 O ATOM 672 CB GLU A 38 -12.064 -0.949 -3.899 1.00 0.00 C ATOM 673 CG GLU A 38 -12.346 0.395 -4.584 1.00 0.00 C ATOM 674 CD GLU A 38 -11.443 1.555 -4.123 1.00 0.00 C ATOM 675 OE1 GLU A 38 -10.939 2.305 -4.995 1.00 0.00 O ATOM 676 OE2 GLU A 38 -11.308 1.773 -2.895 1.00 0.00 O ATOM 0 H GLU A 38 -11.896 -3.334 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.764 -1.483 -5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.953 -1.574 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.894 -0.770 -2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.232 0.269 -5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.386 0.668 -4.404 1.00 0.00 H new ATOM 683 N GLN A 39 -9.109 -2.041 -2.764 1.00 0.00 N ATOM 684 CA GLN A 39 -7.846 -1.815 -2.055 1.00 0.00 C ATOM 685 C GLN A 39 -6.632 -2.294 -2.870 1.00 0.00 C ATOM 686 O GLN A 39 -5.589 -1.642 -2.876 1.00 0.00 O ATOM 687 CB GLN A 39 -7.902 -2.487 -0.673 1.00 0.00 C ATOM 688 CG GLN A 39 -9.013 -1.937 0.244 1.00 0.00 C ATOM 689 CD GLN A 39 -10.422 -2.455 -0.058 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.635 -3.388 -0.825 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.442 -1.876 0.531 1.00 0.00 N ATOM 0 H GLN A 39 -9.659 -2.803 -2.367 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.716 -0.741 -1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.052 -3.558 -0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.939 -2.359 -0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.766 -2.184 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.019 -0.850 0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.286 -1.098 1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.390 -2.204 0.347 1.00 0.00 H new ATOM 700 N LYS A 40 -6.765 -3.384 -3.637 1.00 0.00 N ATOM 701 CA LYS A 40 -5.718 -3.850 -4.574 1.00 0.00 C ATOM 702 C LYS A 40 -5.562 -2.931 -5.776 1.00 0.00 C ATOM 703 O LYS A 40 -4.439 -2.655 -6.196 1.00 0.00 O ATOM 704 CB LYS A 40 -6.045 -5.271 -5.037 1.00 0.00 C ATOM 705 CG LYS A 40 -5.653 -6.272 -3.946 1.00 0.00 C ATOM 706 CD LYS A 40 -6.558 -7.516 -3.948 1.00 0.00 C ATOM 707 CE LYS A 40 -7.242 -7.650 -2.582 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.077 -8.877 -2.491 1.00 0.00 N ATOM 0 H LYS A 40 -7.599 -3.972 -3.630 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.768 -3.839 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.109 -5.356 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.510 -5.496 -5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.617 -6.578 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.708 -5.786 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.307 -7.433 -4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.969 -8.408 -4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.485 -7.669 -1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.865 -6.774 -2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.952 -9.313 -1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.077 -8.627 -2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.786 -9.550 -3.228 1.00 0.00 H new ATOM 722 N LYS A 41 -6.673 -2.358 -6.239 1.00 0.00 N ATOM 723 CA LYS A 41 -6.680 -1.262 -7.234 1.00 0.00 C ATOM 724 C LYS A 41 -5.952 0.017 -6.771 1.00 0.00 C ATOM 725 O LYS A 41 -5.762 0.929 -7.576 1.00 0.00 O ATOM 726 CB LYS A 41 -8.124 -0.938 -7.667 1.00 0.00 C ATOM 727 CG LYS A 41 -8.771 -2.042 -8.511 1.00 0.00 C ATOM 728 CD LYS A 41 -10.272 -1.760 -8.710 1.00 0.00 C ATOM 729 CE LYS A 41 -10.898 -2.627 -9.810 1.00 0.00 C ATOM 730 NZ LYS A 41 -10.603 -2.102 -11.172 1.00 0.00 N ATOM 0 H LYS A 41 -7.607 -2.637 -5.937 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.112 -1.631 -8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.732 -0.767 -6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.124 -0.009 -8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.275 -2.105 -9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.638 -3.007 -8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.798 -1.936 -7.772 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.410 -0.708 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.522 -3.647 -9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.977 -2.672 -9.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.045 -2.718 -11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.984 -1.139 -11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.574 -2.083 -11.321 1.00 0.00 H new ATOM 744 N ILE A 42 -5.509 0.075 -5.511 1.00 0.00 N ATOM 745 CA ILE A 42 -4.613 1.104 -4.959 1.00 0.00 C ATOM 746 C ILE A 42 -3.219 0.517 -4.706 1.00 0.00 C ATOM 747 O ILE A 42 -2.242 1.010 -5.264 1.00 0.00 O ATOM 748 CB ILE A 42 -5.250 1.706 -3.689 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.550 2.461 -4.059 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.304 2.624 -2.890 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.653 2.225 -3.029 1.00 0.00 C ATOM 0 H ILE A 42 -5.775 -0.622 -4.816 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.481 1.914 -5.677 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.476 0.867 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.343 3.529 -4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.893 2.135 -5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.825 3.008 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.428 2.057 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.989 3.457 -3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.549 2.771 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.879 1.160 -2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.320 2.575 -2.052 1.00 0.00 H new ATOM 763 N VAL A 43 -3.112 -0.552 -3.907 1.00 0.00 N ATOM 764 CA VAL A 43 -1.825 -1.129 -3.474 1.00 0.00 C ATOM 765 C VAL A 43 -1.091 -1.789 -4.639 1.00 0.00 C ATOM 766 O VAL A 43 0.001 -1.357 -5.000 1.00 0.00 O ATOM 767 CB VAL A 43 -2.022 -2.130 -2.317 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.710 -2.823 -1.917 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.591 -1.429 -1.077 1.00 0.00 C ATOM 0 H VAL A 43 -3.923 -1.049 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.207 -0.308 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.722 -2.881 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.900 -3.518 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.312 -3.369 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.014 -2.074 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.721 -2.156 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.902 -0.649 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.555 -0.983 -1.322 1.00 0.00 H new ATOM 779 N ALA A 44 -1.683 -2.819 -5.246 1.00 0.00 N ATOM 780 CA ALA A 44 -1.062 -3.578 -6.333 1.00 0.00 C ATOM 781 C ALA A 44 -0.894 -2.726 -7.602 1.00 0.00 C ATOM 782 O ALA A 44 0.078 -2.883 -8.342 1.00 0.00 O ATOM 783 CB ALA A 44 -1.903 -4.825 -6.603 1.00 0.00 C ATOM 0 H ALA A 44 -2.614 -3.152 -4.995 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.058 -3.876 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.452 -5.400 -7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.946 -5.437 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.912 -4.528 -6.889 1.00 0.00 H new ATOM 789 N ASP A 45 -1.798 -1.766 -7.804 1.00 0.00 N ATOM 790 CA ASP A 45 -1.630 -0.713 -8.811 1.00 0.00 C ATOM 791 C ASP A 45 -0.340 0.106 -8.589 1.00 0.00 C ATOM 792 O ASP A 45 0.428 0.292 -9.531 1.00 0.00 O ATOM 793 CB ASP A 45 -2.871 0.182 -8.818 1.00 0.00 C ATOM 794 CG ASP A 45 -2.805 1.232 -9.939 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.507 2.416 -9.652 1.00 0.00 O ATOM 796 OD2 ASP A 45 -3.056 0.872 -11.115 1.00 0.00 O ATOM 0 H ASP A 45 -2.667 -1.695 -7.275 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.523 -1.183 -9.788 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.762 -0.432 -8.946 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.965 0.683 -7.854 1.00 0.00 H new ATOM 801 N TYR A 46 -0.033 0.508 -7.348 1.00 0.00 N ATOM 802 CA TYR A 46 1.213 1.206 -6.994 1.00 0.00 C ATOM 803 C TYR A 46 2.452 0.298 -7.136 1.00 0.00 C ATOM 804 O TYR A 46 3.502 0.729 -7.617 1.00 0.00 O ATOM 805 CB TYR A 46 1.088 1.758 -5.560 1.00 0.00 C ATOM 806 CG TYR A 46 1.838 3.037 -5.220 1.00 0.00 C ATOM 807 CD1 TYR A 46 1.375 3.815 -4.144 1.00 0.00 C ATOM 808 CD2 TYR A 46 2.969 3.464 -5.939 1.00 0.00 C ATOM 809 CE1 TYR A 46 2.024 5.015 -3.796 1.00 0.00 C ATOM 810 CE2 TYR A 46 3.619 4.666 -5.614 1.00 0.00 C ATOM 811 CZ TYR A 46 3.145 5.454 -4.540 1.00 0.00 C ATOM 812 OH TYR A 46 3.795 6.601 -4.203 1.00 0.00 O ATOM 0 H TYR A 46 -0.651 0.356 -6.551 1.00 0.00 H new ATOM 0 HA TYR A 46 1.359 2.030 -7.692 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.030 1.927 -5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.423 0.981 -4.873 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.514 3.489 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.343 2.859 -6.752 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.667 5.600 -2.962 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.479 4.988 -6.183 1.00 0.00 H new ATOM 0 HH TYR A 46 4.541 6.748 -4.821 1.00 0.00 H new ATOM 822 N ILE A 47 2.330 -0.991 -6.805 1.00 0.00 N ATOM 823 CA ILE A 47 3.412 -1.981 -6.983 1.00 0.00 C ATOM 824 C ILE A 47 3.806 -2.096 -8.473 1.00 0.00 C ATOM 825 O ILE A 47 4.975 -2.313 -8.796 1.00 0.00 O ATOM 826 CB ILE A 47 2.991 -3.329 -6.339 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.690 -3.252 -4.815 1.00 0.00 C ATOM 828 CG2 ILE A 47 4.011 -4.457 -6.553 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.355 -2.113 -4.024 1.00 0.00 C ATOM 0 H ILE A 47 1.478 -1.385 -6.405 1.00 0.00 H new ATOM 0 HA ILE A 47 4.314 -1.652 -6.467 1.00 0.00 H new ATOM 0 HB ILE A 47 2.067 -3.558 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.611 -3.166 -4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.990 -4.197 -4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.651 -5.369 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.140 -4.633 -7.621 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.967 -4.171 -6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.061 -2.177 -2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.439 -2.200 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.038 -1.153 -4.432 1.00 0.00 H new ATOM 841 N SER A 48 2.868 -1.831 -9.389 1.00 0.00 N ATOM 842 CA SER A 48 3.114 -1.752 -10.837 1.00 0.00 C ATOM 843 C SER A 48 3.788 -0.440 -11.304 1.00 0.00 C ATOM 844 O SER A 48 4.309 -0.387 -12.421 1.00 0.00 O ATOM 845 CB SER A 48 1.786 -1.978 -11.574 1.00 0.00 C ATOM 846 OG SER A 48 2.006 -2.456 -12.893 1.00 0.00 O ATOM 0 H SER A 48 1.893 -1.661 -9.140 1.00 0.00 H new ATOM 0 HA SER A 48 3.834 -2.533 -11.082 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.178 -2.694 -11.022 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.224 -1.045 -11.611 1.00 0.00 H new ATOM 0 HG SER A 48 2.794 -2.015 -13.274 1.00 0.00 H new ATOM 852 N GLU A 49 3.831 0.622 -10.483 1.00 0.00 N ATOM 853 CA GLU A 49 4.385 1.933 -10.860 1.00 0.00 C ATOM 854 C GLU A 49 5.857 2.072 -10.464 1.00 0.00 C ATOM 855 O GLU A 49 6.698 2.407 -11.302 1.00 0.00 O ATOM 856 CB GLU A 49 3.595 3.072 -10.190 1.00 0.00 C ATOM 857 CG GLU A 49 2.139 3.185 -10.636 1.00 0.00 C ATOM 858 CD GLU A 49 2.010 3.814 -12.037 1.00 0.00 C ATOM 859 OE1 GLU A 49 1.897 5.061 -12.137 1.00 0.00 O ATOM 860 OE2 GLU A 49 2.021 3.074 -13.052 1.00 0.00 O ATOM 0 H GLU A 49 3.478 0.594 -9.527 1.00 0.00 H new ATOM 0 HA GLU A 49 4.302 2.001 -11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.620 2.927 -9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.099 4.016 -10.397 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.684 2.195 -10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.585 3.788 -9.916 1.00 0.00 H new ATOM 867 N VAL A 50 6.158 1.841 -9.179 1.00 0.00 N ATOM 868 CA VAL A 50 7.442 2.241 -8.561 1.00 0.00 C ATOM 869 C VAL A 50 8.284 1.079 -8.017 1.00 0.00 C ATOM 870 O VAL A 50 9.463 1.272 -7.725 1.00 0.00 O ATOM 871 CB VAL A 50 7.233 3.345 -7.505 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.476 4.551 -8.074 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.531 2.825 -6.252 1.00 0.00 C ATOM 0 H VAL A 50 5.522 1.372 -8.534 1.00 0.00 H new ATOM 0 HA VAL A 50 8.038 2.650 -9.377 1.00 0.00 H new ATOM 0 HB VAL A 50 8.231 3.675 -7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.352 5.303 -7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.041 4.977 -8.903 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.496 4.231 -8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.407 3.640 -5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.553 2.427 -6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.131 2.036 -5.800 1.00 0.00 H new ATOM 883 N GLY A 51 7.719 -0.123 -7.889 1.00 0.00 N ATOM 884 CA GLY A 51 8.441 -1.382 -7.659 1.00 0.00 C ATOM 885 C GLY A 51 7.861 -2.171 -6.489 1.00 0.00 C ATOM 886 O GLY A 51 7.132 -3.140 -6.685 1.00 0.00 O ATOM 0 H GLY A 51 6.709 -0.254 -7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.402 -1.992 -8.562 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.492 -1.167 -7.465 1.00 0.00 H new ATOM 890 N LEU A 52 8.186 -1.734 -5.269 1.00 0.00 N ATOM 891 CA LEU A 52 7.595 -2.213 -4.007 1.00 0.00 C ATOM 892 C LEU A 52 7.879 -1.252 -2.841 1.00 0.00 C ATOM 893 O LEU A 52 7.001 -0.956 -2.035 1.00 0.00 O ATOM 894 CB LEU A 52 8.146 -3.622 -3.686 1.00 0.00 C ATOM 895 CG LEU A 52 7.694 -4.206 -2.332 1.00 0.00 C ATOM 896 CD1 LEU A 52 6.175 -4.293 -2.190 1.00 0.00 C ATOM 897 CD2 LEU A 52 8.264 -5.613 -2.166 1.00 0.00 C ATOM 0 H LEU A 52 8.892 -1.012 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 52 6.513 -2.258 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.840 -4.304 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.235 -3.582 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 52 8.066 -3.526 -1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.924 -4.712 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.744 -3.296 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.772 -4.933 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.944 -6.025 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.903 -6.250 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.353 -5.570 -2.197 1.00 0.00 H new ATOM 909 N ASN A 53 9.123 -0.774 -2.765 1.00 0.00 N ATOM 910 CA ASN A 53 9.676 -0.060 -1.603 1.00 0.00 C ATOM 911 C ASN A 53 9.903 1.450 -1.828 1.00 0.00 C ATOM 912 O ASN A 53 10.268 2.164 -0.892 1.00 0.00 O ATOM 913 CB ASN A 53 10.964 -0.778 -1.154 1.00 0.00 C ATOM 914 CG ASN A 53 10.712 -2.199 -0.677 1.00 0.00 C ATOM 915 OD1 ASN A 53 10.039 -2.439 0.315 1.00 0.00 O ATOM 916 ND2 ASN A 53 11.230 -3.190 -1.367 1.00 0.00 N ATOM 0 H ASN A 53 9.794 -0.873 -3.527 1.00 0.00 H new ATOM 0 HA ASN A 53 8.929 -0.094 -0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.671 -0.798 -1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.431 -0.208 -0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.070 -4.154 -1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.792 -2.995 -2.195 1.00 0.00 H new ATOM 923 N ASN A 54 9.696 1.942 -3.055 1.00 0.00 N ATOM 924 CA ASN A 54 9.934 3.345 -3.431 1.00 0.00 C ATOM 925 C ASN A 54 8.695 4.244 -3.223 1.00 0.00 C ATOM 926 O ASN A 54 8.824 5.468 -3.142 1.00 0.00 O ATOM 927 CB ASN A 54 10.460 3.387 -4.875 1.00 0.00 C ATOM 928 CG ASN A 54 11.673 2.490 -5.063 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.735 2.706 -4.496 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.534 1.424 -5.817 1.00 0.00 N ATOM 0 H ASN A 54 9.354 1.371 -3.827 1.00 0.00 H new ATOM 0 HA ASN A 54 10.689 3.763 -2.764 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.670 3.077 -5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.723 4.412 -5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.312 0.775 -5.931 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.648 1.245 -6.289 1.00 0.00 H new ATOM 937 N LEU A 55 7.506 3.639 -3.098 1.00 0.00 N ATOM 938 CA LEU A 55 6.282 4.288 -2.607 1.00 0.00 C ATOM 939 C LEU A 55 6.408 4.756 -1.146 1.00 0.00 C ATOM 940 O LEU A 55 7.297 4.308 -0.416 1.00 0.00 O ATOM 941 CB LEU A 55 5.081 3.343 -2.822 1.00 0.00 C ATOM 942 CG LEU A 55 5.129 1.965 -2.138 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.597 1.992 -0.708 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.259 0.982 -2.921 1.00 0.00 C ATOM 0 H LEU A 55 7.365 2.659 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 55 6.117 5.198 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.183 3.857 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.967 3.182 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 55 6.177 1.667 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.657 0.992 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.195 2.680 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.559 2.324 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.291 0.005 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.231 1.343 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.634 0.896 -3.941 1.00 0.00 H new ATOM 956 N ASN A 56 5.495 5.627 -0.704 1.00 0.00 N ATOM 957 CA ASN A 56 5.366 6.028 0.696 1.00 0.00 C ATOM 958 C ASN A 56 4.076 5.473 1.324 1.00 0.00 C ATOM 959 O ASN A 56 3.168 4.986 0.644 1.00 0.00 O ATOM 960 CB ASN A 56 5.566 7.555 0.838 1.00 0.00 C ATOM 961 CG ASN A 56 4.390 8.435 0.437 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.252 8.016 0.306 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.618 9.717 0.283 1.00 0.00 N ATOM 0 H ASN A 56 4.817 6.078 -1.319 1.00 0.00 H new ATOM 0 HA ASN A 56 6.164 5.575 1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.815 7.771 1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.428 7.843 0.237 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.849 10.348 0.057 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.564 10.083 0.389 1.00 0.00 H new ATOM 970 N ALA A 57 4.006 5.556 2.649 1.00 0.00 N ATOM 971 CA ALA A 57 2.877 5.082 3.440 1.00 0.00 C ATOM 972 C ALA A 57 1.710 6.090 3.462 1.00 0.00 C ATOM 973 O ALA A 57 0.559 5.692 3.641 1.00 0.00 O ATOM 974 CB ALA A 57 3.436 4.786 4.830 1.00 0.00 C ATOM 0 H ALA A 57 4.750 5.964 3.215 1.00 0.00 H new ATOM 0 HA ALA A 57 2.438 4.185 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.635 4.425 5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.213 4.025 4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.860 5.697 5.253 1.00 0.00 H new ATOM 980 N THR A 58 1.999 7.377 3.239 1.00 0.00 N ATOM 981 CA THR A 58 1.039 8.495 3.227 1.00 0.00 C ATOM 982 C THR A 58 -0.015 8.351 2.126 1.00 0.00 C ATOM 983 O THR A 58 -1.205 8.524 2.365 1.00 0.00 O ATOM 984 CB THR A 58 1.790 9.826 3.048 1.00 0.00 C ATOM 985 OG1 THR A 58 2.837 9.922 3.995 1.00 0.00 O ATOM 986 CG2 THR A 58 0.889 11.045 3.229 1.00 0.00 C ATOM 0 H THR A 58 2.953 7.686 3.053 1.00 0.00 H new ATOM 0 HA THR A 58 0.517 8.481 4.184 1.00 0.00 H new ATOM 0 HB THR A 58 2.172 9.824 2.027 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.311 10.771 3.873 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.475 11.954 3.091 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.085 11.016 2.493 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.463 11.037 4.232 1.00 0.00 H new ATOM 994 N GLU A 59 0.388 7.999 0.907 1.00 0.00 N ATOM 995 CA GLU A 59 -0.548 7.770 -0.203 1.00 0.00 C ATOM 996 C GLU A 59 -1.461 6.559 0.054 1.00 0.00 C ATOM 997 O GLU A 59 -2.671 6.642 -0.163 1.00 0.00 O ATOM 998 CB GLU A 59 0.236 7.584 -1.509 1.00 0.00 C ATOM 999 CG GLU A 59 0.915 8.862 -2.022 1.00 0.00 C ATOM 1000 CD GLU A 59 -0.110 9.926 -2.456 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.438 10.821 -1.641 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.599 9.875 -3.611 1.00 0.00 O ATOM 0 H GLU A 59 1.367 7.864 0.657 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.192 8.645 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.996 6.818 -1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.442 7.213 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.554 9.272 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.561 8.616 -2.865 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.917 5.459 0.588 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.714 4.290 0.990 1.00 0.00 C ATOM 1011 C LEU A 60 -2.712 4.633 2.107 1.00 0.00 C ATOM 1012 O LEU A 60 -3.890 4.302 1.988 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.799 3.120 1.407 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.410 2.180 0.251 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.440 2.869 -0.813 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.377 0.990 0.798 1.00 0.00 C ATOM 0 H LEU A 60 0.084 5.352 0.754 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.296 3.979 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.110 3.525 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.301 2.538 2.180 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.341 1.858 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.683 2.157 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.116 3.705 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.361 3.238 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.651 0.327 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.280 1.347 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.238 0.446 1.515 1.00 0.00 H new ATOM 1028 N SER A 61 -2.298 5.347 3.154 1.00 0.00 N ATOM 1029 CA SER A 61 -3.172 5.741 4.269 1.00 0.00 C ATOM 1030 C SER A 61 -4.287 6.712 3.856 1.00 0.00 C ATOM 1031 O SER A 61 -5.354 6.719 4.477 1.00 0.00 O ATOM 1032 CB SER A 61 -2.345 6.311 5.426 1.00 0.00 C ATOM 1033 OG SER A 61 -1.642 7.468 5.036 1.00 0.00 O ATOM 0 H SER A 61 -1.337 5.673 3.257 1.00 0.00 H new ATOM 0 HA SER A 61 -3.674 4.834 4.604 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.002 6.548 6.263 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.641 5.557 5.778 1.00 0.00 H new ATOM 0 HG SER A 61 -1.725 7.590 4.067 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.098 7.455 2.756 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.095 8.378 2.174 1.00 0.00 C ATOM 1041 C LYS A 62 -6.148 7.646 1.334 1.00 0.00 C ATOM 1042 O LYS A 62 -7.291 8.096 1.252 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.377 9.435 1.312 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.670 10.519 2.144 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.615 11.290 1.330 1.00 0.00 C ATOM 1046 CE LYS A 62 -3.227 12.058 0.151 1.00 0.00 C ATOM 1047 NZ LYS A 62 -2.177 12.737 -0.649 1.00 0.00 N ATOM 0 H LYS A 62 -3.225 7.433 2.229 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.620 8.859 2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.644 8.939 0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.103 9.909 0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.412 11.219 2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.192 10.056 3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.096 11.990 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.868 10.590 0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.785 11.370 -0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.938 12.795 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.624 13.356 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.576 13.307 -0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.594 12.024 -1.133 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.759 6.530 0.706 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.546 5.802 -0.307 1.00 0.00 C ATOM 1063 C ARG A 63 -7.215 4.534 0.247 1.00 0.00 C ATOM 1064 O ARG A 63 -8.385 4.295 -0.050 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.624 5.514 -1.505 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.131 6.770 -2.253 1.00 0.00 C ATOM 1067 CD ARG A 63 -6.131 7.308 -3.288 1.00 0.00 C ATOM 1068 NE ARG A 63 -6.121 6.515 -4.538 1.00 0.00 N ATOM 1069 CZ ARG A 63 -5.248 6.602 -5.529 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -5.357 5.834 -6.574 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -4.251 7.443 -5.512 1.00 0.00 N ATOM 0 H ARG A 63 -4.858 6.091 0.893 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.382 6.423 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.758 4.953 -1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.154 4.873 -2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.918 7.554 -1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.192 6.537 -2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.134 7.298 -2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.892 8.347 -3.516 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.867 5.828 -4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.119 5.159 -6.633 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.680 5.907 -7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.122 8.065 -4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.600 7.478 -6.297 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.525 3.765 1.101 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.098 2.641 1.868 1.00 0.00 C ATOM 1087 C LEU A 64 -7.848 3.091 3.135 1.00 0.00 C ATOM 1088 O LEU A 64 -8.636 2.309 3.669 1.00 0.00 O ATOM 1089 CB LEU A 64 -6.002 1.610 2.235 1.00 0.00 C ATOM 1090 CG LEU A 64 -5.973 0.368 1.332 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -5.615 0.718 -0.107 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -4.946 -0.642 1.845 1.00 0.00 C ATOM 0 H LEU A 64 -5.532 3.907 1.284 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.834 2.172 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.029 2.100 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.151 1.291 3.267 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.976 -0.059 1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.606 -0.190 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.354 1.413 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.629 1.182 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.938 -1.516 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.957 -0.184 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.210 -0.947 2.858 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.619 4.322 3.617 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.189 4.846 4.872 1.00 0.00 C ATOM 1106 C ASN A 65 -7.762 3.991 6.089 1.00 0.00 C ATOM 1107 O ASN A 65 -8.576 3.422 6.823 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.705 5.093 4.702 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.288 6.007 5.770 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.590 7.168 5.531 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.467 5.523 6.978 1.00 0.00 N ATOM 0 H ASN A 65 -7.021 4.996 3.138 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.772 5.827 5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.887 5.530 3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.227 4.137 4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.856 6.115 7.712 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.217 4.555 7.182 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.444 3.899 6.267 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.720 3.217 7.356 1.00 0.00 C ATOM 1120 C ILE A 66 -4.802 4.220 8.069 1.00 0.00 C ATOM 1121 O ILE A 66 -4.514 5.287 7.526 1.00 0.00 O ATOM 1122 CB ILE A 66 -4.916 2.001 6.818 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.030 2.371 5.603 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -5.873 0.840 6.516 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.224 1.230 4.977 1.00 0.00 C ATOM 0 H ILE A 66 -5.799 4.331 5.606 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.443 2.831 8.074 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.222 1.678 7.593 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.669 2.801 4.832 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.335 3.151 5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.305 -0.011 6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.395 0.552 7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.599 1.153 5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.644 1.612 4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.549 0.810 5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.904 0.454 4.626 1.00 0.00 H new ATOM 1137 N THR A 67 -4.301 3.893 9.263 1.00 0.00 N ATOM 1138 CA THR A 67 -3.211 4.671 9.883 1.00 0.00 C ATOM 1139 C THR A 67 -1.891 4.450 9.134 1.00 0.00 C ATOM 1140 O THR A 67 -1.681 3.402 8.515 1.00 0.00 O ATOM 1141 CB THR A 67 -3.088 4.404 11.393 1.00 0.00 C ATOM 1142 OG1 THR A 67 -2.151 5.302 11.946 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.631 2.990 11.749 1.00 0.00 C ATOM 0 H THR A 67 -4.625 3.103 9.820 1.00 0.00 H new ATOM 0 HA THR A 67 -3.464 5.727 9.792 1.00 0.00 H new ATOM 0 HB THR A 67 -4.091 4.535 11.798 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.069 5.138 12.909 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.571 2.889 12.833 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.346 2.267 11.356 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.650 2.804 11.313 1.00 0.00 H new ATOM 1151 N VAL A 68 -0.981 5.427 9.190 1.00 0.00 N ATOM 1152 CA VAL A 68 0.312 5.389 8.478 1.00 0.00 C ATOM 1153 C VAL A 68 1.136 4.167 8.893 1.00 0.00 C ATOM 1154 O VAL A 68 1.745 3.507 8.056 1.00 0.00 O ATOM 1155 CB VAL A 68 1.120 6.687 8.712 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.295 6.789 7.731 1.00 0.00 C ATOM 1157 CG2 VAL A 68 0.271 7.955 8.535 1.00 0.00 C ATOM 0 H VAL A 68 -1.117 6.278 9.735 1.00 0.00 H new ATOM 0 HA VAL A 68 0.094 5.310 7.413 1.00 0.00 H new ATOM 0 HB VAL A 68 1.471 6.627 9.742 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.846 7.711 7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.959 5.935 7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.916 6.793 6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.890 8.835 8.711 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.126 7.988 7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.554 7.943 9.247 1.00 0.00 H new ATOM 1167 N ASP A 69 1.090 3.794 10.173 1.00 0.00 N ATOM 1168 CA ASP A 69 1.817 2.638 10.705 1.00 0.00 C ATOM 1169 C ASP A 69 1.289 1.284 10.206 1.00 0.00 C ATOM 1170 O ASP A 69 2.080 0.359 10.001 1.00 0.00 O ATOM 1171 CB ASP A 69 1.833 2.718 12.236 1.00 0.00 C ATOM 1172 CG ASP A 69 2.780 1.673 12.852 1.00 0.00 C ATOM 1173 OD1 ASP A 69 4.016 1.824 12.706 1.00 0.00 O ATOM 1174 OD2 ASP A 69 2.290 0.719 13.505 1.00 0.00 O ATOM 0 H ASP A 69 0.542 4.290 10.877 1.00 0.00 H new ATOM 0 HA ASP A 69 2.837 2.687 10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.143 3.716 12.545 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.824 2.565 12.619 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.015 1.177 9.901 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.566 -0.005 9.225 1.00 0.00 C ATOM 1181 C LYS A 70 -0.047 -0.112 7.800 1.00 0.00 C ATOM 1182 O LYS A 70 0.294 -1.210 7.381 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.105 -0.011 9.234 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.686 -0.626 10.515 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.210 -0.766 10.380 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.807 -1.475 11.599 1.00 0.00 C ATOM 1187 NZ LYS A 70 -6.239 -1.802 11.381 1.00 0.00 N ATOM 0 H LYS A 70 -0.706 1.897 10.113 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.228 -0.876 9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.469 1.011 9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.467 -0.569 8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.237 -1.602 10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.444 0.001 11.373 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.661 0.220 10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.448 -1.327 9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.249 -2.389 11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.706 -0.839 12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.618 -2.282 12.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.773 -0.926 11.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.330 -2.428 10.555 1.00 0.00 H new ATOM 1201 N ALA A 71 0.099 1.005 7.088 1.00 0.00 N ATOM 1202 CA ALA A 71 0.646 1.002 5.730 1.00 0.00 C ATOM 1203 C ALA A 71 2.138 0.610 5.754 1.00 0.00 C ATOM 1204 O ALA A 71 2.547 -0.322 5.061 1.00 0.00 O ATOM 1205 CB ALA A 71 0.376 2.371 5.083 1.00 0.00 C ATOM 0 H ALA A 71 -0.156 1.931 7.432 1.00 0.00 H new ATOM 0 HA ALA A 71 0.153 0.250 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.779 2.381 4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.698 2.551 5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.856 3.153 5.672 1.00 0.00 H new ATOM 1211 N LYS A 72 2.923 1.236 6.644 1.00 0.00 N ATOM 1212 CA LYS A 72 4.368 0.993 6.850 1.00 0.00 C ATOM 1213 C LYS A 72 4.715 -0.466 7.177 1.00 0.00 C ATOM 1214 O LYS A 72 5.791 -0.932 6.791 1.00 0.00 O ATOM 1215 CB LYS A 72 4.872 1.897 7.989 1.00 0.00 C ATOM 1216 CG LYS A 72 5.032 3.372 7.603 1.00 0.00 C ATOM 1217 CD LYS A 72 5.266 4.294 8.810 1.00 0.00 C ATOM 1218 CE LYS A 72 6.430 3.833 9.697 1.00 0.00 C ATOM 1219 NZ LYS A 72 6.774 4.846 10.730 1.00 0.00 N ATOM 0 H LYS A 72 2.558 1.956 7.268 1.00 0.00 H new ATOM 0 HA LYS A 72 4.859 1.224 5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.178 1.826 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.833 1.519 8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.869 3.471 6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.139 3.700 7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.465 5.305 8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.356 4.339 9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.166 2.894 10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.304 3.636 9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.565 4.497 11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.050 5.735 10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.948 5.015 11.339 1.00 0.00 H new ATOM 1233 N THR A 73 3.839 -1.200 7.869 1.00 0.00 N ATOM 1234 CA THR A 73 4.031 -2.647 8.103 1.00 0.00 C ATOM 1235 C THR A 73 3.403 -3.512 7.012 1.00 0.00 C ATOM 1236 O THR A 73 4.058 -4.425 6.512 1.00 0.00 O ATOM 1237 CB THR A 73 3.619 -3.058 9.528 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.206 -4.305 9.828 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.115 -3.183 9.765 1.00 0.00 C ATOM 0 H THR A 73 2.986 -0.821 8.281 1.00 0.00 H new ATOM 0 HA THR A 73 5.102 -2.840 8.033 1.00 0.00 H new ATOM 0 HB THR A 73 3.966 -2.251 10.173 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.952 -4.577 10.735 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.933 -3.477 10.799 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.635 -2.224 9.570 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.703 -3.938 9.095 1.00 0.00 H new ATOM 1247 N TYR A 74 2.195 -3.195 6.538 1.00 0.00 N ATOM 1248 CA TYR A 74 1.491 -3.978 5.517 1.00 0.00 C ATOM 1249 C TYR A 74 2.279 -4.110 4.197 1.00 0.00 C ATOM 1250 O TYR A 74 2.299 -5.191 3.600 1.00 0.00 O ATOM 1251 CB TYR A 74 0.108 -3.359 5.296 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.637 -3.973 4.139 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.731 -3.252 2.939 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.139 -5.285 4.229 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.286 -3.859 1.806 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.694 -5.896 3.089 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.739 -5.196 1.864 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.174 -5.833 0.745 1.00 0.00 O ATOM 0 H TYR A 74 1.672 -2.379 6.855 1.00 0.00 H new ATOM 0 HA TYR A 74 1.386 -5.000 5.881 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.484 -3.474 6.204 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.219 -2.289 5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.377 -2.233 2.890 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.099 -5.819 5.167 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.368 -3.303 0.884 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.086 -6.901 3.151 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.446 -6.746 0.973 1.00 0.00 H new ATOM 1268 N ILE A 75 3.014 -3.061 3.799 1.00 0.00 N ATOM 1269 CA ILE A 75 3.923 -3.048 2.634 1.00 0.00 C ATOM 1270 C ILE A 75 4.894 -4.245 2.638 1.00 0.00 C ATOM 1271 O ILE A 75 5.084 -4.889 1.605 1.00 0.00 O ATOM 1272 CB ILE A 75 4.672 -1.691 2.604 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.718 -0.573 2.121 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.929 -1.721 1.714 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.200 0.835 2.502 1.00 0.00 C ATOM 0 H ILE A 75 2.994 -2.168 4.292 1.00 0.00 H new ATOM 0 HA ILE A 75 3.335 -3.154 1.723 1.00 0.00 H new ATOM 0 HB ILE A 75 5.004 -1.490 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.614 -0.635 1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.728 -0.739 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.411 -0.744 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.622 -2.475 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.645 -1.966 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.488 1.575 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.277 0.912 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.177 1.018 2.055 1.00 0.00 H new ATOM 1287 N LYS A 76 5.468 -4.596 3.796 1.00 0.00 N ATOM 1288 CA LYS A 76 6.356 -5.766 3.959 1.00 0.00 C ATOM 1289 C LYS A 76 5.636 -7.023 4.441 1.00 0.00 C ATOM 1290 O LYS A 76 6.078 -8.122 4.121 1.00 0.00 O ATOM 1291 CB LYS A 76 7.555 -5.408 4.860 1.00 0.00 C ATOM 1292 CG LYS A 76 7.185 -4.755 6.204 1.00 0.00 C ATOM 1293 CD LYS A 76 8.428 -4.548 7.081 1.00 0.00 C ATOM 1294 CE LYS A 76 8.094 -3.772 8.362 1.00 0.00 C ATOM 1295 NZ LYS A 76 7.985 -2.305 8.125 1.00 0.00 N ATOM 0 H LYS A 76 5.330 -4.072 4.660 1.00 0.00 H new ATOM 0 HA LYS A 76 6.727 -6.018 2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.125 -6.316 5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.212 -4.732 4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.700 -3.796 6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.466 -5.382 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.855 -5.516 7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.187 -4.008 6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.155 -4.142 8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.865 -3.960 9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.962 -1.807 9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.805 -1.980 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.112 -2.102 7.598 1.00 0.00 H new ATOM 1309 N ASN A 77 4.515 -6.890 5.143 1.00 0.00 N ATOM 1310 CA ASN A 77 3.749 -8.023 5.658 1.00 0.00 C ATOM 1311 C ASN A 77 3.068 -8.845 4.544 1.00 0.00 C ATOM 1312 O ASN A 77 2.942 -10.065 4.658 1.00 0.00 O ATOM 1313 CB ASN A 77 2.731 -7.473 6.667 1.00 0.00 C ATOM 1314 CG ASN A 77 2.238 -8.554 7.596 1.00 0.00 C ATOM 1315 OD1 ASN A 77 1.174 -9.118 7.414 1.00 0.00 O ATOM 1316 ND2 ASN A 77 3.000 -8.883 8.612 1.00 0.00 N ATOM 0 H ASN A 77 4.107 -5.984 5.373 1.00 0.00 H new ATOM 0 HA ASN A 77 4.426 -8.724 6.145 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.189 -6.672 7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.887 -7.037 6.133 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.703 -9.616 9.256 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.890 -8.406 8.758 1.00 0.00 H new ATOM 1420 N THR A 84 10.475 -14.387 0.499 1.00 0.00 N ATOM 1421 CA THR A 84 11.561 -15.195 1.097 1.00 0.00 C ATOM 1422 C THR A 84 12.419 -15.921 0.058 1.00 0.00 C ATOM 1423 O THR A 84 12.835 -17.067 0.210 1.00 0.00 O ATOM 1424 CB THR A 84 11.065 -16.089 2.250 1.00 0.00 C ATOM 1425 OG1 THR A 84 9.980 -16.923 1.891 1.00 0.00 O ATOM 1426 CG2 THR A 84 10.600 -15.229 3.424 1.00 0.00 C ATOM 0 HA THR A 84 12.249 -14.489 1.562 1.00 0.00 H new ATOM 0 HB THR A 84 11.915 -16.717 2.515 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.435 -16.476 1.210 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.252 -15.873 4.232 1.00 0.00 H new ATOM 0 HG22 THR A 84 11.430 -14.618 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.785 -14.581 3.100 1.00 0.00 H new ATOM 1434 N ASN A 85 12.715 -15.180 -1.009 1.00 0.00 N ATOM 1435 CA ASN A 85 13.407 -15.608 -2.226 1.00 0.00 C ATOM 1436 C ASN A 85 14.942 -15.554 -2.068 1.00 0.00 C ATOM 1437 O ASN A 85 15.700 -16.044 -2.898 1.00 0.00 O ATOM 1438 CB ASN A 85 12.886 -14.718 -3.364 1.00 0.00 C ATOM 1439 CG ASN A 85 13.501 -15.051 -4.714 1.00 0.00 C ATOM 1440 OD1 ASN A 85 13.190 -16.056 -5.338 1.00 0.00 O ATOM 1441 ND2 ASN A 85 14.395 -14.223 -5.207 1.00 0.00 N ATOM 0 H ASN A 85 12.459 -14.193 -1.049 1.00 0.00 H new ATOM 0 HA ASN A 85 13.197 -16.654 -2.448 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.803 -14.821 -3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.093 -13.675 -3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.829 -14.419 -6.109 1.00 0.00 H new ATOM 0 HD22 ASN A 85 14.655 -13.385 -4.687 1.00 0.00 H new ATOM 1448 N ASN A 86 15.390 -14.985 -0.950 1.00 0.00 N ATOM 1449 CA ASN A 86 16.773 -14.848 -0.491 1.00 0.00 C ATOM 1450 C ASN A 86 17.471 -16.210 -0.243 1.00 0.00 C ATOM 1451 O ASN A 86 18.698 -16.290 -0.220 1.00 0.00 O ATOM 1452 CB ASN A 86 16.667 -13.956 0.767 1.00 0.00 C ATOM 1453 CG ASN A 86 17.819 -14.108 1.740 1.00 0.00 C ATOM 1454 OD1 ASN A 86 18.874 -13.502 1.620 1.00 0.00 O ATOM 1455 ND2 ASN A 86 17.621 -14.941 2.736 1.00 0.00 N ATOM 0 H ASN A 86 14.738 -14.572 -0.283 1.00 0.00 H new ATOM 0 HA ASN A 86 17.417 -14.396 -1.246 1.00 0.00 H new ATOM 0 HB2 ASN A 86 16.606 -12.914 0.454 1.00 0.00 H new ATOM 0 HB3 ASN A 86 15.737 -14.188 1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 86 18.355 -15.092 3.428 1.00 0.00 H new ATOM 0 HD22 ASN A 86 16.733 -15.437 2.818 1.00 0.00 H new ATOM 1462 N PHE A 87 16.696 -17.290 -0.112 1.00 0.00 N ATOM 1463 CA PHE A 87 17.128 -18.654 0.233 1.00 0.00 C ATOM 1464 C PHE A 87 17.907 -19.412 -0.867 1.00 0.00 C ATOM 1465 O PHE A 87 18.064 -20.632 -0.790 1.00 0.00 O ATOM 1466 CB PHE A 87 15.894 -19.435 0.729 1.00 0.00 C ATOM 1467 CG PHE A 87 15.073 -20.100 -0.371 1.00 0.00 C ATOM 1468 CD1 PHE A 87 14.424 -19.315 -1.342 1.00 0.00 C ATOM 1469 CD2 PHE A 87 14.979 -21.504 -0.448 1.00 0.00 C ATOM 1470 CE1 PHE A 87 13.675 -19.911 -2.367 1.00 0.00 C ATOM 1471 CE2 PHE A 87 14.235 -22.108 -1.481 1.00 0.00 C ATOM 1472 CZ PHE A 87 13.580 -21.312 -2.439 1.00 0.00 C ATOM 0 H PHE A 87 15.687 -17.236 -0.252 1.00 0.00 H new ATOM 0 HA PHE A 87 17.874 -18.566 1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 87 16.224 -20.201 1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.249 -18.753 1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 87 14.504 -18.239 -1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 87 15.478 -22.118 0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 87 13.173 -19.296 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 87 14.167 -23.184 -1.538 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.006 -21.776 -3.227 1.00 0.00 H new ATOM 1482 N LYS A 88 18.417 -18.728 -1.901 1.00 0.00 N ATOM 1483 CA LYS A 88 19.103 -19.339 -3.047 1.00 0.00 C ATOM 1484 C LYS A 88 20.415 -19.962 -2.584 1.00 0.00 C ATOM 1485 O LYS A 88 21.417 -19.275 -2.397 1.00 0.00 O ATOM 1486 CB LYS A 88 19.356 -18.307 -4.154 1.00 0.00 C ATOM 1487 CG LYS A 88 18.058 -17.757 -4.770 1.00 0.00 C ATOM 1488 CD LYS A 88 18.250 -16.364 -5.383 1.00 0.00 C ATOM 1489 CE LYS A 88 18.592 -15.344 -4.287 1.00 0.00 C ATOM 1490 NZ LYS A 88 18.723 -13.968 -4.836 1.00 0.00 N ATOM 0 H LYS A 88 18.362 -17.711 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 88 18.463 -20.118 -3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 88 19.937 -17.480 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 88 19.959 -18.764 -4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.703 -18.444 -5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 88 17.285 -17.711 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 88 19.048 -16.392 -6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.342 -16.059 -5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.816 -15.358 -3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 88 19.524 -15.632 -3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.954 -13.308 -4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 19.481 -13.949 -5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.826 -13.684 -5.278 1.00 0.00 H new ATOM 1504 N THR A 89 20.363 -21.275 -2.406 1.00 0.00 N ATOM 1505 CA THR A 89 21.416 -22.171 -1.905 1.00 0.00 C ATOM 1506 C THR A 89 21.649 -22.108 -0.384 1.00 0.00 C ATOM 1507 O THR A 89 22.503 -22.814 0.150 1.00 0.00 O ATOM 1508 CB THR A 89 22.671 -22.013 -2.785 1.00 0.00 C ATOM 1509 OG1 THR A 89 23.091 -23.269 -3.277 1.00 0.00 O ATOM 1510 CG2 THR A 89 23.854 -21.337 -2.100 1.00 0.00 C ATOM 0 H THR A 89 19.512 -21.793 -2.625 1.00 0.00 H new ATOM 0 HA THR A 89 21.074 -23.201 -2.009 1.00 0.00 H new ATOM 0 HB THR A 89 22.360 -21.353 -3.594 1.00 0.00 H new ATOM 0 HG1 THR A 89 23.888 -23.152 -3.835 1.00 0.00 H new ATOM 0 HG21 THR A 89 24.689 -21.271 -2.797 1.00 0.00 H new ATOM 0 HG22 THR A 89 23.566 -20.335 -1.782 1.00 0.00 H new ATOM 0 HG23 THR A 89 24.153 -21.922 -1.230 1.00 0.00 H new ATOM 1518 N ILE A 90 20.863 -21.308 0.346 1.00 0.00 N ATOM 1519 CA ILE A 90 21.018 -21.064 1.792 1.00 0.00 C ATOM 1520 C ILE A 90 19.774 -21.552 2.542 1.00 0.00 C ATOM 1521 O ILE A 90 18.659 -21.492 2.026 1.00 0.00 O ATOM 1522 CB ILE A 90 21.325 -19.579 2.107 1.00 0.00 C ATOM 1523 CG1 ILE A 90 22.326 -18.950 1.109 1.00 0.00 C ATOM 1524 CG2 ILE A 90 21.883 -19.448 3.539 1.00 0.00 C ATOM 1525 CD1 ILE A 90 22.479 -17.438 1.277 1.00 0.00 C ATOM 0 H ILE A 90 20.079 -20.797 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 90 21.881 -21.634 2.137 1.00 0.00 H new ATOM 0 HB ILE A 90 20.384 -19.037 2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 90 23.300 -19.423 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 90 21.997 -19.164 0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 90 22.096 -18.400 3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 90 21.147 -19.821 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 90 22.800 -20.030 3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 90 23.195 -17.061 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 90 21.514 -16.955 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 90 22.837 -17.218 2.283 1.00 0.00 H new ATOM 1537 N LYS A 91 19.967 -22.062 3.762 1.00 0.00 N ATOM 1538 CA LYS A 91 18.951 -22.781 4.569 1.00 0.00 C ATOM 1539 C LYS A 91 18.405 -24.068 3.907 1.00 0.00 C ATOM 1540 O LYS A 91 17.399 -24.618 4.357 1.00 0.00 O ATOM 1541 CB LYS A 91 17.831 -21.817 5.039 1.00 0.00 C ATOM 1542 CG LYS A 91 18.307 -20.464 5.606 1.00 0.00 C ATOM 1543 CD LYS A 91 19.133 -20.619 6.892 1.00 0.00 C ATOM 1544 CE LYS A 91 19.953 -19.371 7.253 1.00 0.00 C ATOM 1545 NZ LYS A 91 19.104 -18.184 7.539 1.00 0.00 N ATOM 0 H LYS A 91 20.865 -21.988 4.241 1.00 0.00 H new ATOM 0 HA LYS A 91 19.469 -23.145 5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.167 -21.624 4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.239 -22.322 5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.906 -19.950 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.441 -19.834 5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.462 -20.854 7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.809 -21.467 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 91 20.571 -19.588 8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.631 -19.137 6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.710 -17.373 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.533 -17.956 6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.475 -18.392 8.341 1.00 0.00 H new ATOM 1559 N MET A 92 19.082 -24.557 2.861 1.00 0.00 N ATOM 1560 CA MET A 92 18.718 -25.752 2.074 1.00 0.00 C ATOM 1561 C MET A 92 19.919 -26.659 1.714 1.00 0.00 C ATOM 1562 O MET A 92 19.787 -27.555 0.879 1.00 0.00 O ATOM 1563 CB MET A 92 17.953 -25.308 0.809 1.00 0.00 C ATOM 1564 CG MET A 92 18.727 -24.286 -0.041 1.00 0.00 C ATOM 1565 SD MET A 92 18.432 -24.374 -1.827 1.00 0.00 S ATOM 1566 CE MET A 92 19.535 -25.760 -2.224 1.00 0.00 C ATOM 0 H MET A 92 19.936 -24.115 2.521 1.00 0.00 H new ATOM 0 HA MET A 92 18.079 -26.371 2.703 1.00 0.00 H new ATOM 0 HB2 MET A 92 17.732 -26.184 0.200 1.00 0.00 H new ATOM 0 HB3 MET A 92 16.997 -24.876 1.104 1.00 0.00 H new ATOM 0 HG2 MET A 92 18.470 -23.284 0.303 1.00 0.00 H new ATOM 0 HG3 MET A 92 19.793 -24.422 0.141 1.00 0.00 H new ATOM 0 HE1 MET A 92 19.490 -25.966 -3.293 1.00 0.00 H new ATOM 0 HE2 MET A 92 20.557 -25.502 -1.947 1.00 0.00 H new ATOM 0 HE3 MET A 92 19.221 -26.645 -1.670 1.00 0.00 H new ATOM 1576 N PHE A 93 21.103 -26.408 2.292 1.00 0.00 N ATOM 1577 CA PHE A 93 22.382 -26.940 1.787 1.00 0.00 C ATOM 1578 C PHE A 93 23.422 -27.280 2.874 1.00 0.00 C ATOM 1579 O PHE A 93 24.161 -28.255 2.727 1.00 0.00 O ATOM 1580 CB PHE A 93 22.948 -25.886 0.824 1.00 0.00 C ATOM 1581 CG PHE A 93 24.219 -26.275 0.094 1.00 0.00 C ATOM 1582 CD1 PHE A 93 24.196 -27.316 -0.854 1.00 0.00 C ATOM 1583 CD2 PHE A 93 25.418 -25.578 0.338 1.00 0.00 C ATOM 1584 CE1 PHE A 93 25.369 -27.666 -1.547 1.00 0.00 C ATOM 1585 CE2 PHE A 93 26.591 -25.926 -0.356 1.00 0.00 C ATOM 1586 CZ PHE A 93 26.567 -26.971 -1.297 1.00 0.00 C ATOM 0 H PHE A 93 21.203 -25.829 3.126 1.00 0.00 H new ATOM 0 HA PHE A 93 22.179 -27.895 1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 93 22.184 -25.650 0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 93 23.140 -24.972 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 93 23.276 -27.847 -1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 93 25.437 -24.775 1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 93 25.350 -28.468 -2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 93 27.510 -25.391 -0.166 1.00 0.00 H new ATOM 0 HZ PHE A 93 27.468 -27.240 -1.828 1.00 0.00 H new ATOM 1596 N GLU A 94 23.502 -26.503 3.961 1.00 0.00 N ATOM 1597 CA GLU A 94 24.525 -26.680 5.007 1.00 0.00 C ATOM 1598 C GLU A 94 24.229 -27.873 5.941 1.00 0.00 C ATOM 1599 O GLU A 94 23.072 -28.168 6.253 1.00 0.00 O ATOM 1600 CB GLU A 94 24.710 -25.387 5.821 1.00 0.00 C ATOM 1601 CG GLU A 94 25.075 -24.170 4.959 1.00 0.00 C ATOM 1602 CD GLU A 94 25.562 -22.997 5.832 1.00 0.00 C ATOM 1603 OE1 GLU A 94 26.795 -22.839 6.013 1.00 0.00 O ATOM 1604 OE2 GLU A 94 24.716 -22.219 6.338 1.00 0.00 O ATOM 0 H GLU A 94 22.860 -25.732 4.143 1.00 0.00 H new ATOM 0 HA GLU A 94 25.457 -26.908 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 94 23.790 -25.174 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 94 25.491 -25.543 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 94 25.853 -24.445 4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 94 24.207 -23.859 4.378 1.00 0.00 H new