USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 77 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.297 K(o=0.3,f=-5.2!) USER MOD Single : A 40 LYS NZ :NH3+ 155:sc= 0.589 (180deg=0.273) 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 -39:sc= 0.0178 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.252 K(o=0.25,f=-7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -12:sc= 0.443 USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= 1.29 (180deg=1.16) USER MOD Single : A 65 ASN : amide:sc= 0.307 X(o=0.31,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0032) USER MOD Single : A 72 LYS NZ :NH3+ -122:sc= 0.00824 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 17:sc= 0.394 USER MOD Single : A 85 ASN : amide:sc= 0.334 X(o=0.33,f=-0.0088) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0848) 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 -9.271 -5.890 2.796 1.00 0.00 N ATOM 624 CA LEU A 35 -8.934 -5.828 1.374 1.00 0.00 C ATOM 625 C LEU A 35 -9.877 -6.731 0.579 1.00 0.00 C ATOM 626 O LEU A 35 -9.937 -7.942 0.805 1.00 0.00 O ATOM 627 CB LEU A 35 -7.466 -6.219 1.113 1.00 0.00 C ATOM 628 CG LEU A 35 -6.475 -5.081 1.420 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.730 -5.306 2.735 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.457 -4.953 0.288 1.00 0.00 C ATOM 0 HA LEU A 35 -9.056 -4.796 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.213 -7.087 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.355 -6.518 0.071 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.058 -4.164 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.042 -4.478 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.447 -5.362 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.169 -6.239 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.761 -4.146 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.907 -5.889 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.976 -4.733 -0.645 1.00 0.00 H new ATOM 642 N SER A 36 -10.573 -6.125 -0.382 1.00 0.00 N ATOM 643 CA SER A 36 -11.581 -6.799 -1.216 1.00 0.00 C ATOM 644 C SER A 36 -11.359 -6.567 -2.698 1.00 0.00 C ATOM 645 O SER A 36 -10.992 -7.493 -3.423 1.00 0.00 O ATOM 646 CB SER A 36 -13.009 -6.433 -0.783 1.00 0.00 C ATOM 647 OG SER A 36 -13.253 -6.856 0.552 1.00 0.00 O ATOM 0 H SER A 36 -10.455 -5.138 -0.610 1.00 0.00 H new ATOM 0 HA SER A 36 -11.457 -7.870 -1.054 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.153 -5.355 -0.860 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.729 -6.900 -1.455 1.00 0.00 H new ATOM 0 HG SER A 36 -14.166 -6.613 0.810 1.00 0.00 H new ATOM 653 N GLU A 37 -11.572 -5.338 -3.154 1.00 0.00 N ATOM 654 CA GLU A 37 -11.678 -5.046 -4.584 1.00 0.00 C ATOM 655 C GLU A 37 -11.353 -3.594 -4.946 1.00 0.00 C ATOM 656 O GLU A 37 -10.980 -3.319 -6.081 1.00 0.00 O ATOM 657 CB GLU A 37 -13.110 -5.416 -5.015 1.00 0.00 C ATOM 658 CG GLU A 37 -13.083 -6.159 -6.347 1.00 0.00 C ATOM 659 CD GLU A 37 -14.505 -6.531 -6.812 1.00 0.00 C ATOM 660 OE1 GLU A 37 -15.155 -5.710 -7.507 1.00 0.00 O ATOM 661 OE2 GLU A 37 -14.982 -7.647 -6.495 1.00 0.00 O ATOM 0 H GLU A 37 -11.676 -4.521 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.932 -5.634 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.578 -6.038 -4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.715 -4.514 -5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.602 -5.537 -7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.482 -7.063 -6.249 1.00 0.00 H new ATOM 668 N GLU A 38 -11.421 -2.671 -3.983 1.00 0.00 N ATOM 669 CA GLU A 38 -10.906 -1.306 -4.137 1.00 0.00 C ATOM 670 C GLU A 38 -9.461 -1.190 -3.630 1.00 0.00 C ATOM 671 O GLU A 38 -8.677 -0.418 -4.176 1.00 0.00 O ATOM 672 CB GLU A 38 -11.825 -0.316 -3.401 1.00 0.00 C ATOM 673 CG GLU A 38 -13.229 -0.253 -4.020 1.00 0.00 C ATOM 674 CD GLU A 38 -14.108 0.783 -3.295 1.00 0.00 C ATOM 675 OE1 GLU A 38 -14.138 1.966 -3.718 1.00 0.00 O ATOM 676 OE2 GLU A 38 -14.788 0.423 -2.302 1.00 0.00 O ATOM 0 H GLU A 38 -11.837 -2.850 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.897 -1.060 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.905 -0.608 -2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.376 0.677 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.153 0.005 -5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.699 -1.235 -3.965 1.00 0.00 H new ATOM 683 N GLN A 39 -9.077 -1.970 -2.610 1.00 0.00 N ATOM 684 CA GLN A 39 -7.836 -1.744 -1.853 1.00 0.00 C ATOM 685 C GLN A 39 -6.598 -2.262 -2.585 1.00 0.00 C ATOM 686 O GLN A 39 -5.589 -1.569 -2.685 1.00 0.00 O ATOM 687 CB GLN A 39 -7.943 -2.384 -0.464 1.00 0.00 C ATOM 688 CG GLN A 39 -9.014 -1.728 0.418 1.00 0.00 C ATOM 689 CD GLN A 39 -10.450 -2.141 0.107 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.735 -3.135 -0.558 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.400 -1.359 0.560 1.00 0.00 N ATOM 0 H GLN A 39 -9.616 -2.773 -2.286 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.713 -0.666 -1.749 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.171 -3.444 -0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.977 -2.317 0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.801 -1.967 1.460 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.933 -0.646 0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.162 -0.535 1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.377 -1.575 0.361 1.00 0.00 H new ATOM 700 N LYS A 40 -6.678 -3.456 -3.172 1.00 0.00 N ATOM 701 CA LYS A 40 -5.600 -4.016 -4.007 1.00 0.00 C ATOM 702 C LYS A 40 -5.439 -3.269 -5.339 1.00 0.00 C ATOM 703 O LYS A 40 -4.324 -3.190 -5.850 1.00 0.00 O ATOM 704 CB LYS A 40 -5.786 -5.535 -4.130 1.00 0.00 C ATOM 705 CG LYS A 40 -7.085 -5.921 -4.854 1.00 0.00 C ATOM 706 CD LYS A 40 -7.544 -7.362 -4.568 1.00 0.00 C ATOM 707 CE LYS A 40 -7.835 -7.653 -3.078 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.540 -8.951 -2.917 1.00 0.00 N ATOM 0 H LYS A 40 -7.490 -4.067 -3.086 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.639 -3.858 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.937 -5.958 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.786 -5.978 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.875 -5.231 -4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.942 -5.800 -5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.444 -7.566 -5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.776 -8.052 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.900 -7.671 -2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.442 -6.851 -2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.358 -9.330 -1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.563 -8.809 -3.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.194 -9.625 -3.630 1.00 0.00 H new ATOM 722 N LYS A 41 -6.495 -2.587 -5.817 1.00 0.00 N ATOM 723 CA LYS A 41 -6.412 -1.560 -6.884 1.00 0.00 C ATOM 724 C LYS A 41 -5.685 -0.266 -6.476 1.00 0.00 C ATOM 725 O LYS A 41 -5.470 0.599 -7.324 1.00 0.00 O ATOM 726 CB LYS A 41 -7.802 -1.234 -7.461 1.00 0.00 C ATOM 727 CG LYS A 41 -8.494 -2.440 -8.104 1.00 0.00 C ATOM 728 CD LYS A 41 -9.818 -2.003 -8.754 1.00 0.00 C ATOM 729 CE LYS A 41 -10.638 -3.182 -9.295 1.00 0.00 C ATOM 730 NZ LYS A 41 -10.019 -3.801 -10.497 1.00 0.00 N ATOM 0 H LYS A 41 -7.444 -2.732 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.795 -2.017 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.435 -0.844 -6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.702 -0.443 -8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.841 -2.887 -8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.684 -3.205 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.414 -1.459 -8.021 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.605 -1.311 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.743 -3.936 -8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.642 -2.839 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.610 -4.592 -10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.942 -3.091 -11.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.071 -4.154 -10.256 1.00 0.00 H new ATOM 744 N ILE A 42 -5.268 -0.142 -5.213 1.00 0.00 N ATOM 745 CA ILE A 42 -4.309 0.865 -4.732 1.00 0.00 C ATOM 746 C ILE A 42 -2.955 0.203 -4.453 1.00 0.00 C ATOM 747 O ILE A 42 -1.949 0.668 -4.977 1.00 0.00 O ATOM 748 CB ILE A 42 -4.890 1.614 -3.513 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.134 2.435 -3.930 1.00 0.00 C ATOM 750 CG2 ILE A 42 -3.869 2.538 -2.824 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.240 2.321 -2.884 1.00 0.00 C ATOM 0 H ILE A 42 -5.598 -0.758 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.136 1.618 -5.501 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.169 0.849 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.857 3.481 -4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.502 2.081 -4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.341 3.034 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.022 1.948 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.520 3.288 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.103 2.907 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.531 1.276 -2.775 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.877 2.698 -1.928 1.00 0.00 H new ATOM 763 N VAL A 43 -2.906 -0.902 -3.696 1.00 0.00 N ATOM 764 CA VAL A 43 -1.642 -1.540 -3.274 1.00 0.00 C ATOM 765 C VAL A 43 -0.884 -2.125 -4.464 1.00 0.00 C ATOM 766 O VAL A 43 0.221 -1.683 -4.774 1.00 0.00 O ATOM 767 CB VAL A 43 -1.867 -2.631 -2.202 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.538 -3.231 -1.721 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.607 -2.106 -0.968 1.00 0.00 C ATOM 0 H VAL A 43 -3.739 -1.382 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.036 -0.751 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.476 -3.390 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.735 -3.994 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.015 -3.680 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.080 -2.445 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.737 -2.916 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.028 -1.304 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.584 -1.724 -1.265 1.00 0.00 H new ATOM 779 N ALA A 44 -1.475 -3.099 -5.160 1.00 0.00 N ATOM 780 CA ALA A 44 -0.805 -3.807 -6.250 1.00 0.00 C ATOM 781 C ALA A 44 -0.657 -2.927 -7.501 1.00 0.00 C ATOM 782 O ALA A 44 0.336 -3.030 -8.223 1.00 0.00 O ATOM 783 CB ALA A 44 -1.554 -5.108 -6.538 1.00 0.00 C ATOM 0 H ALA A 44 -2.428 -3.417 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 44 0.212 -4.053 -5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.059 -5.641 -7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.557 -5.732 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.581 -4.881 -6.826 1.00 0.00 H new ATOM 789 N ASP A 45 -1.589 -1.992 -7.705 1.00 0.00 N ATOM 790 CA ASP A 45 -1.431 -0.914 -8.691 1.00 0.00 C ATOM 791 C ASP A 45 -0.162 -0.065 -8.448 1.00 0.00 C ATOM 792 O ASP A 45 0.554 0.244 -9.400 1.00 0.00 O ATOM 793 CB ASP A 45 -2.689 -0.044 -8.673 1.00 0.00 C ATOM 794 CG ASP A 45 -2.666 1.019 -9.784 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.820 0.648 -10.972 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.509 2.222 -9.472 1.00 0.00 O ATOM 0 H ASP A 45 -2.472 -1.959 -7.195 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.303 -1.364 -9.675 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.569 -0.676 -8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.778 0.446 -7.703 1.00 0.00 H new ATOM 801 N TYR A 46 0.181 0.238 -7.187 1.00 0.00 N ATOM 802 CA TYR A 46 1.412 0.954 -6.813 1.00 0.00 C ATOM 803 C TYR A 46 2.664 0.063 -6.946 1.00 0.00 C ATOM 804 O TYR A 46 3.724 0.525 -7.375 1.00 0.00 O ATOM 805 CB TYR A 46 1.256 1.470 -5.367 1.00 0.00 C ATOM 806 CG TYR A 46 1.978 2.743 -4.974 1.00 0.00 C ATOM 807 CD1 TYR A 46 3.037 3.262 -5.738 1.00 0.00 C ATOM 808 CD2 TYR A 46 1.546 3.438 -3.830 1.00 0.00 C ATOM 809 CE1 TYR A 46 3.626 4.494 -5.411 1.00 0.00 C ATOM 810 CE2 TYR A 46 2.131 4.672 -3.486 1.00 0.00 C ATOM 811 CZ TYR A 46 3.164 5.214 -4.285 1.00 0.00 C ATOM 812 OH TYR A 46 3.745 6.391 -3.926 1.00 0.00 O ATOM 0 H TYR A 46 -0.398 -0.011 -6.385 1.00 0.00 H new ATOM 0 HA TYR A 46 1.556 1.790 -7.497 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.193 1.621 -5.181 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.588 0.679 -4.695 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.403 2.706 -6.588 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.762 3.024 -3.213 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.428 4.890 -6.016 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.790 5.205 -2.611 1.00 0.00 H new ATOM 0 HH TYR A 46 3.298 6.747 -3.129 1.00 0.00 H new ATOM 822 N ILE A 47 2.550 -1.240 -6.672 1.00 0.00 N ATOM 823 CA ILE A 47 3.644 -2.204 -6.905 1.00 0.00 C ATOM 824 C ILE A 47 3.983 -2.267 -8.408 1.00 0.00 C ATOM 825 O ILE A 47 5.153 -2.329 -8.787 1.00 0.00 O ATOM 826 CB ILE A 47 3.283 -3.579 -6.288 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.020 -3.535 -4.757 1.00 0.00 C ATOM 828 CG2 ILE A 47 4.349 -4.653 -6.554 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.729 -2.422 -3.968 1.00 0.00 C ATOM 0 H ILE A 47 1.705 -1.660 -6.285 1.00 0.00 H new ATOM 0 HA ILE A 47 4.552 -1.873 -6.401 1.00 0.00 H new ATOM 0 HB ILE A 47 2.355 -3.844 -6.795 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.946 -3.434 -4.599 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.316 -4.495 -4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.040 -5.593 -6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.465 -4.792 -7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.300 -4.336 -6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.465 -2.499 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.808 -2.527 -4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.417 -1.450 -4.350 1.00 0.00 H new ATOM 841 N SER A 48 2.975 -2.114 -9.272 1.00 0.00 N ATOM 842 CA SER A 48 3.135 -1.942 -10.722 1.00 0.00 C ATOM 843 C SER A 48 3.621 -0.536 -11.146 1.00 0.00 C ATOM 844 O SER A 48 3.991 -0.339 -12.305 1.00 0.00 O ATOM 845 CB SER A 48 1.805 -2.295 -11.405 1.00 0.00 C ATOM 846 OG SER A 48 2.001 -2.650 -12.764 1.00 0.00 O ATOM 0 H SER A 48 1.999 -2.106 -8.976 1.00 0.00 H new ATOM 0 HA SER A 48 3.928 -2.617 -11.044 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.330 -3.121 -10.876 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.125 -1.445 -11.343 1.00 0.00 H new ATOM 0 HG SER A 48 2.680 -2.065 -13.160 1.00 0.00 H new ATOM 852 N GLU A 49 3.658 0.459 -10.243 1.00 0.00 N ATOM 853 CA GLU A 49 3.964 1.858 -10.566 1.00 0.00 C ATOM 854 C GLU A 49 5.426 2.228 -10.259 1.00 0.00 C ATOM 855 O GLU A 49 6.071 2.882 -11.082 1.00 0.00 O ATOM 856 CB GLU A 49 2.972 2.765 -9.814 1.00 0.00 C ATOM 857 CG GLU A 49 3.020 4.218 -10.283 1.00 0.00 C ATOM 858 CD GLU A 49 2.022 5.115 -9.527 1.00 0.00 C ATOM 859 OE1 GLU A 49 0.803 5.058 -9.823 1.00 0.00 O ATOM 860 OE2 GLU A 49 2.451 5.918 -8.668 1.00 0.00 O ATOM 0 H GLU A 49 3.472 0.308 -9.251 1.00 0.00 H new ATOM 0 HA GLU A 49 3.849 2.004 -11.640 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.962 2.379 -9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.189 2.726 -8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.029 4.607 -10.147 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.804 4.259 -11.351 1.00 0.00 H new ATOM 867 N VAL A 50 5.962 1.810 -9.098 1.00 0.00 N ATOM 868 CA VAL A 50 7.286 2.258 -8.600 1.00 0.00 C ATOM 869 C VAL A 50 8.216 1.138 -8.104 1.00 0.00 C ATOM 870 O VAL A 50 9.404 1.385 -7.892 1.00 0.00 O ATOM 871 CB VAL A 50 7.133 3.359 -7.530 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.287 4.538 -8.021 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.564 2.814 -6.219 1.00 0.00 C ATOM 0 H VAL A 50 5.494 1.152 -8.475 1.00 0.00 H new ATOM 0 HA VAL A 50 7.785 2.667 -9.478 1.00 0.00 H new ATOM 0 HB VAL A 50 8.141 3.726 -7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.210 5.285 -7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.758 4.984 -8.897 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.290 4.185 -8.285 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.474 3.625 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.581 2.380 -6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.231 2.048 -5.824 1.00 0.00 H new ATOM 883 N GLY A 51 7.718 -0.089 -7.924 1.00 0.00 N ATOM 884 CA GLY A 51 8.521 -1.310 -7.757 1.00 0.00 C ATOM 885 C GLY A 51 8.074 -2.143 -6.559 1.00 0.00 C ATOM 886 O GLY A 51 7.388 -3.150 -6.715 1.00 0.00 O ATOM 0 H GLY A 51 6.714 -0.268 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.451 -1.914 -8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.569 -1.038 -7.636 1.00 0.00 H new ATOM 890 N LEU A 52 8.468 -1.707 -5.361 1.00 0.00 N ATOM 891 CA LEU A 52 8.029 -2.275 -4.074 1.00 0.00 C ATOM 892 C LEU A 52 8.282 -1.315 -2.900 1.00 0.00 C ATOM 893 O LEU A 52 7.435 -1.135 -2.028 1.00 0.00 O ATOM 894 CB LEU A 52 8.786 -3.598 -3.814 1.00 0.00 C ATOM 895 CG LEU A 52 8.140 -4.433 -2.691 1.00 0.00 C ATOM 896 CD1 LEU A 52 6.902 -5.161 -3.213 1.00 0.00 C ATOM 897 CD2 LEU A 52 9.114 -5.469 -2.144 1.00 0.00 C ATOM 0 H LEU A 52 9.118 -0.929 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 52 6.955 -2.449 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.811 -4.186 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.820 -3.376 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 52 7.862 -3.744 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.458 -5.746 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.177 -4.432 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.187 -5.825 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.630 -6.042 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.418 -6.142 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.992 -4.965 -1.741 1.00 0.00 H new ATOM 909 N ASN A 53 9.472 -0.712 -2.900 1.00 0.00 N ATOM 910 CA ASN A 53 10.046 0.035 -1.771 1.00 0.00 C ATOM 911 C ASN A 53 10.115 1.559 -1.990 1.00 0.00 C ATOM 912 O ASN A 53 10.439 2.302 -1.062 1.00 0.00 O ATOM 913 CB ASN A 53 11.437 -0.548 -1.458 1.00 0.00 C ATOM 914 CG ASN A 53 11.398 -2.020 -1.075 1.00 0.00 C ATOM 915 OD1 ASN A 53 10.741 -2.426 -0.127 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.092 -2.869 -1.801 1.00 0.00 N ATOM 0 H ASN A 53 10.087 -0.729 -3.713 1.00 0.00 H new ATOM 0 HA ASN A 53 9.375 -0.088 -0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.081 -0.423 -2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.887 0.021 -0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.081 -3.863 -1.573 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.641 -2.533 -2.592 1.00 0.00 H new ATOM 923 N ASN A 54 9.822 2.029 -3.208 1.00 0.00 N ATOM 924 CA ASN A 54 9.919 3.446 -3.589 1.00 0.00 C ATOM 925 C ASN A 54 8.616 4.229 -3.321 1.00 0.00 C ATOM 926 O ASN A 54 8.621 5.463 -3.312 1.00 0.00 O ATOM 927 CB ASN A 54 10.376 3.532 -5.055 1.00 0.00 C ATOM 928 CG ASN A 54 11.659 2.753 -5.297 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.717 3.063 -4.769 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.591 1.681 -6.055 1.00 0.00 N ATOM 0 H ASN A 54 9.506 1.428 -3.969 1.00 0.00 H new ATOM 0 HA ASN A 54 10.663 3.932 -2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.589 3.146 -5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.529 4.576 -5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.421 1.107 -6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.708 1.423 -6.495 1.00 0.00 H new ATOM 937 N LEU A 55 7.511 3.515 -3.075 1.00 0.00 N ATOM 938 CA LEU A 55 6.254 4.061 -2.556 1.00 0.00 C ATOM 939 C LEU A 55 6.375 4.517 -1.094 1.00 0.00 C ATOM 940 O LEU A 55 7.331 4.156 -0.401 1.00 0.00 O ATOM 941 CB LEU A 55 5.144 3.016 -2.766 1.00 0.00 C ATOM 942 CG LEU A 55 5.333 1.648 -2.090 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.753 1.615 -0.681 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.606 0.579 -2.897 1.00 0.00 C ATOM 0 H LEU A 55 7.467 2.509 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 55 5.996 4.965 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.206 3.443 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.033 2.851 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 55 6.407 1.466 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.911 0.628 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.248 2.367 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.684 1.826 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.739 -0.391 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.544 0.818 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.015 0.545 -3.907 1.00 0.00 H new ATOM 956 N ASN A 56 5.391 5.279 -0.606 1.00 0.00 N ATOM 957 CA ASN A 56 5.295 5.664 0.802 1.00 0.00 C ATOM 958 C ASN A 56 3.950 5.257 1.429 1.00 0.00 C ATOM 959 O ASN A 56 2.981 4.905 0.752 1.00 0.00 O ATOM 960 CB ASN A 56 5.686 7.149 0.979 1.00 0.00 C ATOM 961 CG ASN A 56 4.630 8.179 0.604 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.433 7.947 0.627 1.00 0.00 O ATOM 963 ND2 ASN A 56 5.036 9.390 0.310 1.00 0.00 N ATOM 0 H ASN A 56 4.635 5.648 -1.182 1.00 0.00 H new ATOM 0 HA ASN A 56 6.024 5.096 1.380 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.962 7.307 2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.577 7.341 0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.354 10.121 0.105 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.033 9.602 0.286 1.00 0.00 H new ATOM 970 N ALA A 57 3.918 5.303 2.758 1.00 0.00 N ATOM 971 CA ALA A 57 2.780 4.896 3.573 1.00 0.00 C ATOM 972 C ALA A 57 1.629 5.919 3.550 1.00 0.00 C ATOM 973 O ALA A 57 0.467 5.532 3.652 1.00 0.00 O ATOM 974 CB ALA A 57 3.338 4.687 4.978 1.00 0.00 C ATOM 0 H ALA A 57 4.707 5.634 3.313 1.00 0.00 H new ATOM 0 HA ALA A 57 2.329 3.984 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.534 4.379 5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.106 3.914 4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.773 5.619 5.339 1.00 0.00 H new ATOM 980 N THR A 58 1.947 7.205 3.370 1.00 0.00 N ATOM 981 CA THR A 58 0.990 8.324 3.328 1.00 0.00 C ATOM 982 C THR A 58 0.048 8.227 2.123 1.00 0.00 C ATOM 983 O THR A 58 -1.163 8.370 2.246 1.00 0.00 O ATOM 984 CB THR A 58 1.751 9.660 3.287 1.00 0.00 C ATOM 985 OG1 THR A 58 2.690 9.716 4.344 1.00 0.00 O ATOM 986 CG2 THR A 58 0.829 10.870 3.429 1.00 0.00 C ATOM 0 H THR A 58 2.912 7.510 3.245 1.00 0.00 H new ATOM 0 HA THR A 58 0.381 8.271 4.230 1.00 0.00 H new ATOM 0 HB THR A 58 2.239 9.702 2.313 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.171 10.569 4.309 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.421 11.785 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.105 10.874 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.302 10.816 4.382 1.00 0.00 H new ATOM 994 N GLU A 59 0.577 7.927 0.940 1.00 0.00 N ATOM 995 CA GLU A 59 -0.226 7.695 -0.267 1.00 0.00 C ATOM 996 C GLU A 59 -1.134 6.460 -0.149 1.00 0.00 C ATOM 997 O GLU A 59 -2.247 6.459 -0.681 1.00 0.00 O ATOM 998 CB GLU A 59 0.724 7.541 -1.464 1.00 0.00 C ATOM 999 CG GLU A 59 1.302 8.870 -1.965 1.00 0.00 C ATOM 1000 CD GLU A 59 0.201 9.758 -2.567 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.359 9.383 -3.633 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.155 10.790 -1.966 1.00 0.00 O ATOM 0 H GLU A 59 1.581 7.836 0.786 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.886 8.551 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.544 6.881 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.190 7.056 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.786 9.394 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.069 8.677 -2.715 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.696 5.436 0.591 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.497 4.242 0.865 1.00 0.00 C ATOM 1011 C LEU A 60 -2.632 4.539 1.859 1.00 0.00 C ATOM 1012 O LEU A 60 -3.791 4.221 1.589 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.571 3.113 1.362 1.00 0.00 C ATOM 1014 CG LEU A 60 -1.030 1.728 0.879 1.00 0.00 C ATOM 1015 CD1 LEU A 60 -0.614 1.511 -0.579 1.00 0.00 C ATOM 1016 CD2 LEU A 60 -0.393 0.628 1.726 1.00 0.00 C ATOM 0 H LEU A 60 0.230 5.414 1.018 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.980 3.916 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.445 3.299 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.541 3.124 2.452 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.115 1.685 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.945 0.526 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.071 2.277 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.471 1.575 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.729 -0.346 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.692 0.689 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.687 0.755 2.768 1.00 0.00 H new ATOM 1028 N SER A 61 -2.329 5.212 2.974 1.00 0.00 N ATOM 1029 CA SER A 61 -3.304 5.598 4.002 1.00 0.00 C ATOM 1030 C SER A 61 -4.366 6.574 3.486 1.00 0.00 C ATOM 1031 O SER A 61 -5.506 6.534 3.953 1.00 0.00 O ATOM 1032 CB SER A 61 -2.599 6.196 5.223 1.00 0.00 C ATOM 1033 OG SER A 61 -1.894 7.369 4.884 1.00 0.00 O ATOM 0 H SER A 61 -1.378 5.511 3.193 1.00 0.00 H new ATOM 0 HA SER A 61 -3.820 4.682 4.289 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.334 6.421 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.910 5.463 5.643 1.00 0.00 H new ATOM 0 HG SER A 61 -1.846 7.452 3.909 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.031 7.398 2.484 1.00 0.00 N ATOM 1040 CA LYS A 62 -4.931 8.402 1.880 1.00 0.00 C ATOM 1041 C LYS A 62 -6.069 7.783 1.062 1.00 0.00 C ATOM 1042 O LYS A 62 -7.186 8.304 1.092 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.117 9.376 1.008 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.455 10.490 1.841 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.371 11.250 1.060 1.00 0.00 C ATOM 1046 CE LYS A 62 -2.942 12.005 -0.149 1.00 0.00 C ATOM 1047 NZ LYS A 62 -1.870 12.692 -0.913 1.00 0.00 N ATOM 0 H LYS A 62 -3.105 7.388 2.057 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.401 8.939 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.348 8.822 0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.771 9.824 0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.219 11.193 2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.013 10.054 2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.876 11.957 1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.611 10.546 0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.466 11.307 -0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.676 12.736 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.297 13.364 -1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.249 13.205 -0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.312 11.988 -1.438 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.801 6.685 0.342 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.768 6.028 -0.568 1.00 0.00 C ATOM 1063 C ARG A 63 -7.370 4.735 -0.008 1.00 0.00 C ATOM 1064 O ARG A 63 -8.543 4.459 -0.257 1.00 0.00 O ATOM 1065 CB ARG A 63 -6.117 5.819 -1.946 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.914 7.156 -2.680 1.00 0.00 C ATOM 1067 CD ARG A 63 -5.388 6.967 -4.110 1.00 0.00 C ATOM 1068 NE ARG A 63 -3.959 6.592 -4.152 1.00 0.00 N ATOM 1069 CZ ARG A 63 -2.926 7.412 -4.069 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -1.708 6.989 -4.213 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -3.038 8.690 -3.858 1.00 0.00 N ATOM 0 H ARG A 63 -4.895 6.216 0.371 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.621 6.698 -0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.156 5.320 -1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.743 5.162 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.860 7.696 -2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.214 7.773 -2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.976 6.196 -4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.533 7.891 -4.670 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.749 5.599 -4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.529 6.001 -4.395 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.929 7.644 -4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.961 9.110 -3.747 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.203 9.273 -3.804 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.607 3.972 0.779 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.064 2.742 1.455 1.00 0.00 C ATOM 1087 C LEU A 64 -7.758 3.050 2.804 1.00 0.00 C ATOM 1088 O LEU A 64 -8.529 2.232 3.303 1.00 0.00 O ATOM 1089 CB LEU A 64 -5.840 1.807 1.574 1.00 0.00 C ATOM 1090 CG LEU A 64 -6.071 0.287 1.503 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -4.724 -0.401 1.277 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -6.678 -0.327 2.764 1.00 0.00 C ATOM 0 H LEU A 64 -5.630 4.193 0.972 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.837 2.237 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.140 2.074 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.347 2.024 2.522 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.782 0.134 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.871 -1.480 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.287 -0.048 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.052 -0.166 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.804 -1.400 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.015 -0.149 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.648 0.130 2.960 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.549 4.254 3.358 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.128 4.749 4.617 1.00 0.00 C ATOM 1106 C ASN A 65 -7.720 3.885 5.832 1.00 0.00 C ATOM 1107 O ASN A 65 -8.527 3.168 6.431 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.641 4.998 4.441 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.235 5.848 5.554 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.527 7.024 5.385 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.431 5.294 6.728 1.00 0.00 N ATOM 0 H ASN A 65 -6.941 4.944 2.918 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.700 5.722 4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.814 5.490 3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.160 4.040 4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.824 5.844 7.492 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.190 4.314 6.876 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.434 3.973 6.183 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.768 3.274 7.298 1.00 0.00 C ATOM 1120 C ILE A 66 -4.874 4.229 8.098 1.00 0.00 C ATOM 1121 O ILE A 66 -4.568 5.341 7.669 1.00 0.00 O ATOM 1122 CB ILE A 66 -4.932 2.056 6.809 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.102 2.385 5.551 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -5.830 0.829 6.645 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.211 1.262 5.025 1.00 0.00 C ATOM 0 H ILE A 66 -5.786 4.569 5.668 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.560 2.902 7.948 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.195 1.813 7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.786 2.682 4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.474 3.248 5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.233 -0.016 6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.290 0.584 7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.609 1.043 5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.676 1.606 4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.494 0.976 5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.826 0.401 4.765 1.00 0.00 H new ATOM 1137 N THR A 67 -4.411 3.761 9.251 1.00 0.00 N ATOM 1138 CA THR A 67 -3.328 4.371 10.030 1.00 0.00 C ATOM 1139 C THR A 67 -1.991 4.198 9.297 1.00 0.00 C ATOM 1140 O THR A 67 -1.685 3.105 8.815 1.00 0.00 O ATOM 1141 CB THR A 67 -3.312 3.723 11.427 1.00 0.00 C ATOM 1142 OG1 THR A 67 -4.399 4.222 12.177 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.038 3.971 12.227 1.00 0.00 C ATOM 0 H THR A 67 -4.788 2.920 9.688 1.00 0.00 H new ATOM 0 HA THR A 67 -3.490 5.443 10.145 1.00 0.00 H new ATOM 0 HB THR A 67 -3.375 2.648 11.256 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.397 3.813 13.068 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.115 3.478 13.196 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.183 3.570 11.683 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.904 5.043 12.375 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.159 5.247 9.253 1.00 0.00 N ATOM 1152 CA VAL A 68 0.152 5.242 8.559 1.00 0.00 C ATOM 1153 C VAL A 68 1.078 4.144 9.097 1.00 0.00 C ATOM 1154 O VAL A 68 1.793 3.492 8.337 1.00 0.00 O ATOM 1155 CB VAL A 68 0.855 6.615 8.681 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.091 6.705 7.776 1.00 0.00 C ATOM 1157 CG2 VAL A 68 -0.063 7.782 8.292 1.00 0.00 C ATOM 0 H VAL A 68 -1.373 6.138 9.701 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.052 5.037 7.508 1.00 0.00 H new ATOM 0 HB VAL A 68 1.136 6.693 9.731 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.556 7.684 7.891 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.804 5.930 8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.792 6.565 6.737 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.479 8.722 8.395 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.386 7.662 7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.935 7.793 8.946 1.00 0.00 H new ATOM 1167 N ASP A 69 1.011 3.872 10.400 1.00 0.00 N ATOM 1168 CA ASP A 69 1.800 2.822 11.052 1.00 0.00 C ATOM 1169 C ASP A 69 1.365 1.398 10.670 1.00 0.00 C ATOM 1170 O ASP A 69 2.205 0.496 10.628 1.00 0.00 O ATOM 1171 CB ASP A 69 1.789 3.042 12.573 1.00 0.00 C ATOM 1172 CG ASP A 69 2.660 2.023 13.329 1.00 0.00 C ATOM 1173 OD1 ASP A 69 3.908 2.115 13.240 1.00 0.00 O ATOM 1174 OD2 ASP A 69 2.100 1.151 14.035 1.00 0.00 O ATOM 0 H ASP A 69 0.401 4.379 11.041 1.00 0.00 H new ATOM 0 HA ASP A 69 2.823 2.905 10.686 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.143 4.049 12.792 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.764 2.978 12.937 1.00 0.00 H new ATOM 1179 N LYS A 70 0.094 1.201 10.289 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.362 -0.062 9.699 1.00 0.00 C ATOM 1181 C LYS A 70 0.032 -0.149 8.232 1.00 0.00 C ATOM 1182 O LYS A 70 0.397 -1.230 7.787 1.00 0.00 O ATOM 1183 CB LYS A 70 -1.878 -0.253 9.893 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.276 -0.228 11.378 1.00 0.00 C ATOM 1185 CD LYS A 70 -3.758 -0.564 11.614 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.122 -2.037 11.357 1.00 0.00 C ATOM 1187 NZ LYS A 70 -3.533 -2.953 12.372 1.00 0.00 N ATOM 0 H LYS A 70 -0.638 1.905 10.381 1.00 0.00 H new ATOM 0 HA LYS A 70 0.136 -0.878 10.222 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.414 0.533 9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.183 -1.202 9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.657 -0.939 11.925 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.064 0.760 11.788 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.016 -0.312 12.643 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.369 0.067 10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.207 -2.146 11.359 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.775 -2.327 10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.834 -3.929 12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.495 -2.896 12.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.857 -2.675 13.320 1.00 0.00 H new ATOM 1201 N ALA A 71 0.064 0.971 7.509 1.00 0.00 N ATOM 1202 CA ALA A 71 0.449 1.000 6.096 1.00 0.00 C ATOM 1203 C ALA A 71 1.924 0.610 5.927 1.00 0.00 C ATOM 1204 O ALA A 71 2.241 -0.305 5.163 1.00 0.00 O ATOM 1205 CB ALA A 71 0.132 2.390 5.516 1.00 0.00 C ATOM 0 H ALA A 71 -0.177 1.887 7.887 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.127 0.263 5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.416 2.419 4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.936 2.588 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.691 3.149 6.064 1.00 0.00 H new ATOM 1211 N LYS A 72 2.816 1.233 6.709 1.00 0.00 N ATOM 1212 CA LYS A 72 4.273 1.027 6.594 1.00 0.00 C ATOM 1213 C LYS A 72 4.756 -0.373 6.995 1.00 0.00 C ATOM 1214 O LYS A 72 5.823 -0.786 6.542 1.00 0.00 O ATOM 1215 CB LYS A 72 5.038 2.157 7.305 1.00 0.00 C ATOM 1216 CG LYS A 72 5.050 2.068 8.837 1.00 0.00 C ATOM 1217 CD LYS A 72 5.651 3.359 9.417 1.00 0.00 C ATOM 1218 CE LYS A 72 5.691 3.406 10.950 1.00 0.00 C ATOM 1219 NZ LYS A 72 6.550 2.349 11.548 1.00 0.00 N ATOM 0 H LYS A 72 2.552 1.894 7.440 1.00 0.00 H new ATOM 0 HA LYS A 72 4.506 1.078 5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.068 2.159 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.599 3.111 7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.037 1.925 9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.634 1.205 9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.665 3.477 9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.073 4.209 9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.055 4.383 11.267 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.677 3.303 11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.983 1.766 12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.939 1.749 10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.330 2.792 12.075 1.00 0.00 H new ATOM 1233 N THR A 73 3.979 -1.125 7.787 1.00 0.00 N ATOM 1234 CA THR A 73 4.274 -2.543 8.076 1.00 0.00 C ATOM 1235 C THR A 73 3.506 -3.512 7.171 1.00 0.00 C ATOM 1236 O THR A 73 4.067 -4.524 6.748 1.00 0.00 O ATOM 1237 CB THR A 73 4.103 -2.856 9.571 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.788 -4.050 9.872 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.650 -3.021 10.014 1.00 0.00 C ATOM 0 H THR A 73 3.136 -0.776 8.243 1.00 0.00 H new ATOM 0 HA THR A 73 5.325 -2.704 7.835 1.00 0.00 H new ATOM 0 HB THR A 73 4.507 -1.997 10.107 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.684 -4.255 10.825 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.618 -3.240 11.081 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.102 -2.100 9.816 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.192 -3.841 9.461 1.00 0.00 H new ATOM 1247 N TYR A 74 2.262 -3.192 6.790 1.00 0.00 N ATOM 1248 CA TYR A 74 1.447 -4.012 5.887 1.00 0.00 C ATOM 1249 C TYR A 74 2.139 -4.237 4.535 1.00 0.00 C ATOM 1250 O TYR A 74 2.186 -5.375 4.071 1.00 0.00 O ATOM 1251 CB TYR A 74 0.070 -3.356 5.697 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.712 -3.927 4.538 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.691 -3.251 3.304 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.361 -5.170 4.658 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.273 -3.841 2.172 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.957 -5.758 3.526 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.888 -5.109 2.275 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.371 -5.738 1.170 1.00 0.00 O ATOM 0 H TYR A 74 1.788 -2.345 7.105 1.00 0.00 H new ATOM 0 HA TYR A 74 1.318 -4.994 6.342 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.511 -3.476 6.612 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.204 -2.285 5.543 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.227 -2.279 3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.402 -5.671 5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.251 -3.326 1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.467 -6.706 3.615 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.759 -6.600 1.428 1.00 0.00 H new ATOM 1268 N ILE A 75 2.744 -3.192 3.952 1.00 0.00 N ATOM 1269 CA ILE A 75 3.522 -3.253 2.699 1.00 0.00 C ATOM 1270 C ILE A 75 4.496 -4.449 2.721 1.00 0.00 C ATOM 1271 O ILE A 75 4.345 -5.403 1.958 1.00 0.00 O ATOM 1272 CB ILE A 75 4.239 -1.892 2.486 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.237 -0.796 2.054 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.376 -1.976 1.446 1.00 0.00 C ATOM 1275 CD1 ILE A 75 3.730 0.632 2.347 1.00 0.00 C ATOM 0 H ILE A 75 2.706 -2.253 4.348 1.00 0.00 H new ATOM 0 HA ILE A 75 2.860 -3.420 1.850 1.00 0.00 H new ATOM 0 HB ILE A 75 4.679 -1.630 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.042 -0.893 0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.289 -0.958 2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.842 -0.997 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.122 -2.698 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.968 -2.293 0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.979 1.351 2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.898 0.746 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.662 0.812 1.812 1.00 0.00 H new ATOM 1287 N LYS A 76 5.445 -4.445 3.662 1.00 0.00 N ATOM 1288 CA LYS A 76 6.525 -5.438 3.797 1.00 0.00 C ATOM 1289 C LYS A 76 6.134 -6.752 4.496 1.00 0.00 C ATOM 1290 O LYS A 76 7.002 -7.597 4.715 1.00 0.00 O ATOM 1291 CB LYS A 76 7.752 -4.753 4.428 1.00 0.00 C ATOM 1292 CG LYS A 76 7.518 -4.281 5.874 1.00 0.00 C ATOM 1293 CD LYS A 76 8.725 -3.487 6.392 1.00 0.00 C ATOM 1294 CE LYS A 76 8.465 -2.995 7.821 1.00 0.00 C ATOM 1295 NZ LYS A 76 9.605 -2.191 8.337 1.00 0.00 N ATOM 0 H LYS A 76 5.487 -3.723 4.381 1.00 0.00 H new ATOM 0 HA LYS A 76 6.773 -5.782 2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.593 -5.446 4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.034 -3.896 3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.623 -3.660 5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.341 -5.142 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.617 -4.114 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.918 -2.637 5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.556 -2.393 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.295 -3.850 8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.396 -1.874 9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.467 -2.773 8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.750 -1.362 7.725 1.00 0.00 H new ATOM 1309 N ASN A 77 4.857 -6.949 4.826 1.00 0.00 N ATOM 1310 CA ASN A 77 4.311 -8.232 5.296 1.00 0.00 C ATOM 1311 C ASN A 77 3.375 -8.896 4.265 1.00 0.00 C ATOM 1312 O ASN A 77 3.336 -10.124 4.173 1.00 0.00 O ATOM 1313 CB ASN A 77 3.624 -8.029 6.659 1.00 0.00 C ATOM 1314 CG ASN A 77 4.629 -7.950 7.798 1.00 0.00 C ATOM 1315 OD1 ASN A 77 5.016 -8.950 8.386 1.00 0.00 O ATOM 1316 ND2 ASN A 77 5.096 -6.773 8.139 1.00 0.00 N ATOM 0 H ASN A 77 4.156 -6.210 4.775 1.00 0.00 H new ATOM 0 HA ASN A 77 5.140 -8.929 5.421 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.032 -7.114 6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.932 -8.851 6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.779 -6.694 8.892 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.776 -5.936 7.651 1.00 0.00 H new ATOM 1420 N THR A 84 6.935 -14.312 -3.911 1.00 0.00 N ATOM 1421 CA THR A 84 7.404 -15.180 -2.805 1.00 0.00 C ATOM 1422 C THR A 84 8.850 -15.683 -2.973 1.00 0.00 C ATOM 1423 O THR A 84 9.186 -16.795 -2.566 1.00 0.00 O ATOM 1424 CB THR A 84 6.394 -16.316 -2.509 1.00 0.00 C ATOM 1425 OG1 THR A 84 5.062 -15.889 -2.736 1.00 0.00 O ATOM 1426 CG2 THR A 84 6.431 -16.769 -1.046 1.00 0.00 C ATOM 0 HA THR A 84 7.444 -14.547 -1.919 1.00 0.00 H new ATOM 0 HB THR A 84 6.684 -17.130 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.068 -15.071 -3.276 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.704 -17.567 -0.894 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.428 -17.136 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.187 -15.927 -0.398 1.00 0.00 H new ATOM 1434 N ASN A 85 9.700 -14.895 -3.649 1.00 0.00 N ATOM 1435 CA ASN A 85 11.058 -15.251 -4.094 1.00 0.00 C ATOM 1436 C ASN A 85 11.183 -16.619 -4.813 1.00 0.00 C ATOM 1437 O ASN A 85 12.257 -17.222 -4.820 1.00 0.00 O ATOM 1438 CB ASN A 85 12.089 -14.980 -2.975 1.00 0.00 C ATOM 1439 CG ASN A 85 12.027 -15.930 -1.785 1.00 0.00 C ATOM 1440 OD1 ASN A 85 11.598 -15.574 -0.696 1.00 0.00 O ATOM 1441 ND2 ASN A 85 12.485 -17.151 -1.943 1.00 0.00 N ATOM 0 H ASN A 85 9.447 -13.943 -3.914 1.00 0.00 H new ATOM 0 HA ASN A 85 11.311 -14.575 -4.911 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.089 -15.029 -3.406 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.948 -13.962 -2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.483 -17.802 -1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.843 -17.448 -2.851 1.00 0.00 H new ATOM 1448 N ASN A 86 10.098 -17.117 -5.424 1.00 0.00 N ATOM 1449 CA ASN A 86 10.040 -18.431 -6.086 1.00 0.00 C ATOM 1450 C ASN A 86 10.317 -18.374 -7.608 1.00 0.00 C ATOM 1451 O ASN A 86 10.433 -19.405 -8.268 1.00 0.00 O ATOM 1452 CB ASN A 86 8.735 -19.156 -5.685 1.00 0.00 C ATOM 1453 CG ASN A 86 7.650 -19.136 -6.747 1.00 0.00 C ATOM 1454 OD1 ASN A 86 7.288 -20.148 -7.328 1.00 0.00 O ATOM 1455 ND2 ASN A 86 7.097 -17.984 -7.042 1.00 0.00 N ATOM 0 H ASN A 86 9.216 -16.607 -5.473 1.00 0.00 H new ATOM 0 HA ASN A 86 10.868 -19.040 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 86 8.970 -20.193 -5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 86 8.345 -18.698 -4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.368 -17.936 -7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 86 7.396 -17.136 -6.560 1.00 0.00 H new ATOM 1462 N PHE A 87 10.500 -17.169 -8.160 1.00 0.00 N ATOM 1463 CA PHE A 87 10.781 -16.880 -9.577 1.00 0.00 C ATOM 1464 C PHE A 87 12.231 -17.202 -10.019 1.00 0.00 C ATOM 1465 O PHE A 87 12.714 -16.738 -11.051 1.00 0.00 O ATOM 1466 CB PHE A 87 10.344 -15.434 -9.872 1.00 0.00 C ATOM 1467 CG PHE A 87 11.200 -14.365 -9.213 1.00 0.00 C ATOM 1468 CD1 PHE A 87 12.290 -13.809 -9.909 1.00 0.00 C ATOM 1469 CD2 PHE A 87 10.922 -13.934 -7.901 1.00 0.00 C ATOM 1470 CE1 PHE A 87 13.118 -12.857 -9.287 1.00 0.00 C ATOM 1471 CE2 PHE A 87 11.742 -12.970 -7.284 1.00 0.00 C ATOM 1472 CZ PHE A 87 12.845 -12.439 -7.974 1.00 0.00 C ATOM 0 H PHE A 87 10.454 -16.318 -7.600 1.00 0.00 H new ATOM 0 HA PHE A 87 10.195 -17.561 -10.194 1.00 0.00 H new ATOM 0 HB2 PHE A 87 10.358 -15.278 -10.951 1.00 0.00 H new ATOM 0 HB3 PHE A 87 9.312 -15.307 -9.545 1.00 0.00 H new ATOM 0 HD1 PHE A 87 12.491 -14.115 -10.925 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.078 -14.344 -7.367 1.00 0.00 H new ATOM 0 HE1 PHE A 87 13.964 -12.447 -9.819 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.523 -12.638 -6.280 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.482 -11.710 -7.495 1.00 0.00 H new ATOM 1482 N LYS A 88 12.931 -18.034 -9.238 1.00 0.00 N ATOM 1483 CA LYS A 88 14.308 -18.525 -9.452 1.00 0.00 C ATOM 1484 C LYS A 88 14.450 -19.490 -10.639 1.00 0.00 C ATOM 1485 O LYS A 88 15.563 -19.760 -11.088 1.00 0.00 O ATOM 1486 CB LYS A 88 14.772 -19.230 -8.165 1.00 0.00 C ATOM 1487 CG LYS A 88 14.815 -18.276 -6.963 1.00 0.00 C ATOM 1488 CD LYS A 88 15.089 -18.965 -5.616 1.00 0.00 C ATOM 1489 CE LYS A 88 13.931 -19.867 -5.148 1.00 0.00 C ATOM 1490 NZ LYS A 88 14.180 -21.311 -5.419 1.00 0.00 N ATOM 0 H LYS A 88 12.528 -18.411 -8.380 1.00 0.00 H new ATOM 0 HA LYS A 88 14.926 -17.659 -9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.100 -20.059 -7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 88 15.762 -19.656 -8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.586 -17.526 -7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.864 -17.747 -6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.996 -19.564 -5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.278 -18.205 -4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.774 -19.724 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.012 -19.561 -5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.277 -21.827 -5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.629 -21.417 -6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.808 -21.698 -4.686 1.00 0.00 H new ATOM 1504 N THR A 89 13.326 -20.037 -11.106 1.00 0.00 N ATOM 1505 CA THR A 89 13.236 -20.982 -12.235 1.00 0.00 C ATOM 1506 C THR A 89 11.971 -20.787 -13.089 1.00 0.00 C ATOM 1507 O THR A 89 11.924 -21.213 -14.241 1.00 0.00 O ATOM 1508 CB THR A 89 13.348 -22.416 -11.690 1.00 0.00 C ATOM 1509 OG1 THR A 89 13.825 -23.298 -12.684 1.00 0.00 O ATOM 1510 CG2 THR A 89 12.024 -22.953 -11.166 1.00 0.00 C ATOM 0 H THR A 89 12.415 -19.830 -10.696 1.00 0.00 H new ATOM 0 HA THR A 89 14.065 -20.783 -12.915 1.00 0.00 H new ATOM 0 HB THR A 89 14.052 -22.363 -10.859 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.890 -24.203 -12.314 1.00 0.00 H new ATOM 0 HG21 THR A 89 12.165 -23.968 -10.795 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.668 -22.316 -10.356 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.290 -22.960 -11.972 1.00 0.00 H new ATOM 1518 N ILE A 90 10.945 -20.121 -12.544 1.00 0.00 N ATOM 1519 CA ILE A 90 9.652 -19.835 -13.195 1.00 0.00 C ATOM 1520 C ILE A 90 9.566 -18.332 -13.490 1.00 0.00 C ATOM 1521 O ILE A 90 10.260 -17.537 -12.857 1.00 0.00 O ATOM 1522 CB ILE A 90 8.440 -20.322 -12.349 1.00 0.00 C ATOM 1523 CG1 ILE A 90 8.752 -21.576 -11.499 1.00 0.00 C ATOM 1524 CG2 ILE A 90 7.241 -20.603 -13.279 1.00 0.00 C ATOM 1525 CD1 ILE A 90 7.615 -22.039 -10.586 1.00 0.00 C ATOM 0 H ILE A 90 10.992 -19.749 -11.596 1.00 0.00 H new ATOM 0 HA ILE A 90 9.603 -20.393 -14.130 1.00 0.00 H new ATOM 0 HB ILE A 90 8.201 -19.523 -11.648 1.00 0.00 H new ATOM 0 HG12 ILE A 90 9.015 -22.394 -12.169 1.00 0.00 H new ATOM 0 HG13 ILE A 90 9.630 -21.371 -10.886 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.393 -20.944 -12.686 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.970 -19.690 -13.809 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.513 -21.374 -14.000 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.930 -22.923 -10.032 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.364 -21.243 -9.886 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.740 -22.281 -11.189 1.00 0.00 H new ATOM 1537 N LYS A 91 8.744 -17.925 -14.467 1.00 0.00 N ATOM 1538 CA LYS A 91 8.653 -16.554 -15.004 1.00 0.00 C ATOM 1539 C LYS A 91 9.927 -16.021 -15.695 1.00 0.00 C ATOM 1540 O LYS A 91 9.911 -14.904 -16.214 1.00 0.00 O ATOM 1541 CB LYS A 91 8.120 -15.605 -13.905 1.00 0.00 C ATOM 1542 CG LYS A 91 7.057 -14.629 -14.433 1.00 0.00 C ATOM 1543 CD LYS A 91 5.625 -14.979 -13.995 1.00 0.00 C ATOM 1544 CE LYS A 91 5.168 -16.348 -14.520 1.00 0.00 C ATOM 1545 NZ LYS A 91 3.780 -16.665 -14.089 1.00 0.00 N ATOM 0 H LYS A 91 8.096 -18.566 -14.926 1.00 0.00 H new ATOM 0 HA LYS A 91 7.941 -16.593 -15.828 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.694 -16.196 -13.094 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.951 -15.039 -13.484 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.297 -13.623 -14.089 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.101 -14.612 -15.522 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.570 -14.974 -12.906 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.941 -14.209 -14.352 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.223 -16.357 -15.609 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.847 -17.121 -14.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.505 -17.596 -14.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.734 -16.680 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.129 -15.940 -14.454 1.00 0.00 H new ATOM 1559 N MET A 92 11.002 -16.819 -15.750 1.00 0.00 N ATOM 1560 CA MET A 92 12.291 -16.472 -16.382 1.00 0.00 C ATOM 1561 C MET A 92 12.772 -17.478 -17.449 1.00 0.00 C ATOM 1562 O MET A 92 13.825 -17.275 -18.058 1.00 0.00 O ATOM 1563 CB MET A 92 13.356 -16.294 -15.285 1.00 0.00 C ATOM 1564 CG MET A 92 13.510 -17.534 -14.391 1.00 0.00 C ATOM 1565 SD MET A 92 15.193 -17.829 -13.794 1.00 0.00 S ATOM 1566 CE MET A 92 15.826 -18.790 -15.197 1.00 0.00 C ATOM 0 H MET A 92 11.003 -17.755 -15.344 1.00 0.00 H new ATOM 0 HA MET A 92 12.133 -15.540 -16.925 1.00 0.00 H new ATOM 0 HB2 MET A 92 14.315 -16.067 -15.751 1.00 0.00 H new ATOM 0 HB3 MET A 92 13.092 -15.437 -14.666 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.847 -17.431 -13.532 1.00 0.00 H new ATOM 0 HG3 MET A 92 13.177 -18.410 -14.947 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.864 -19.066 -15.010 1.00 0.00 H new ATOM 0 HE2 MET A 92 15.227 -19.692 -15.320 1.00 0.00 H new ATOM 0 HE3 MET A 92 15.768 -18.189 -16.105 1.00 0.00 H new ATOM 1576 N PHE A 93 12.034 -18.575 -17.656 1.00 0.00 N ATOM 1577 CA PHE A 93 12.508 -19.774 -18.368 1.00 0.00 C ATOM 1578 C PHE A 93 11.564 -20.262 -19.488 1.00 0.00 C ATOM 1579 O PHE A 93 11.989 -20.986 -20.389 1.00 0.00 O ATOM 1580 CB PHE A 93 12.710 -20.854 -17.297 1.00 0.00 C ATOM 1581 CG PHE A 93 13.477 -22.083 -17.738 1.00 0.00 C ATOM 1582 CD1 PHE A 93 14.877 -22.023 -17.867 1.00 0.00 C ATOM 1583 CD2 PHE A 93 12.801 -23.294 -17.976 1.00 0.00 C ATOM 1584 CE1 PHE A 93 15.601 -23.170 -18.242 1.00 0.00 C ATOM 1585 CE2 PHE A 93 13.525 -24.441 -18.352 1.00 0.00 C ATOM 1586 CZ PHE A 93 14.924 -24.378 -18.485 1.00 0.00 C ATOM 0 H PHE A 93 11.072 -18.659 -17.328 1.00 0.00 H new ATOM 0 HA PHE A 93 13.433 -19.537 -18.894 1.00 0.00 H new ATOM 0 HB2 PHE A 93 13.232 -20.407 -16.451 1.00 0.00 H new ATOM 0 HB3 PHE A 93 11.731 -21.170 -16.937 1.00 0.00 H new ATOM 0 HD1 PHE A 93 15.397 -21.095 -17.678 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.727 -23.343 -17.870 1.00 0.00 H new ATOM 0 HE1 PHE A 93 16.675 -23.122 -18.343 1.00 0.00 H new ATOM 0 HE2 PHE A 93 13.006 -25.370 -18.538 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.479 -25.258 -18.774 1.00 0.00 H new ATOM 1596 N GLU A 94 10.290 -19.856 -19.455 1.00 0.00 N ATOM 1597 CA GLU A 94 9.259 -20.244 -20.430 1.00 0.00 C ATOM 1598 C GLU A 94 9.207 -19.290 -21.640 1.00 0.00 C ATOM 1599 O GLU A 94 9.541 -18.106 -21.538 1.00 0.00 O ATOM 1600 CB GLU A 94 7.887 -20.315 -19.736 1.00 0.00 C ATOM 1601 CG GLU A 94 7.769 -21.425 -18.680 1.00 0.00 C ATOM 1602 CD GLU A 94 7.721 -22.828 -19.318 1.00 0.00 C ATOM 1603 OE1 GLU A 94 8.791 -23.475 -19.455 1.00 0.00 O ATOM 1604 OE2 GLU A 94 6.622 -23.298 -19.680 1.00 0.00 O ATOM 0 H GLU A 94 9.936 -19.231 -18.731 1.00 0.00 H new ATOM 0 HA GLU A 94 9.523 -21.228 -20.817 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.683 -19.355 -19.262 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.117 -20.466 -20.493 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.616 -21.367 -17.997 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.869 -21.266 -18.086 1.00 0.00 H new