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 Set 1.1: A 84 THR OG1 : rot -30:sc= 0.116 USER MOD Set 1.2: A 86 ASN : amide:sc= 0 X(o=0.12,f=0.098) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.584 K(o=0.58,f=-7.8!) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.16) 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 77:sc= 0.00142 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.725 K(o=0.73,f=0) USER MOD Single : A 56 ASN : amide:sc=-0.00126 K(o=-0.0013,f=-1.1) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -15:sc= 0.47 USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 1.29 (180deg=1.18) USER MOD Single : A 65 ASN : amide:sc=-0.00326 X(o=-0.0033,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= -0.0267 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.16) 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 -161:sc= 0 (180deg=-0.543) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -9.304 -6.003 2.835 1.00 0.00 N ATOM 624 CA LEU A 35 -8.974 -6.041 1.420 1.00 0.00 C ATOM 625 C LEU A 35 -10.127 -6.639 0.592 1.00 0.00 C ATOM 626 O LEU A 35 -10.257 -7.856 0.443 1.00 0.00 O ATOM 627 CB LEU A 35 -7.620 -6.770 1.259 1.00 0.00 C ATOM 628 CG LEU A 35 -6.561 -5.852 0.640 1.00 0.00 C ATOM 629 CD1 LEU A 35 -6.022 -4.797 1.616 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.398 -6.688 0.123 1.00 0.00 C ATOM 0 HA LEU A 35 -8.853 -5.035 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.276 -7.121 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.752 -7.651 0.631 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.053 -5.317 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.277 -4.182 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.842 -4.166 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.564 -5.293 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.646 -6.033 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.955 -7.245 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.759 -7.385 -0.633 1.00 0.00 H new ATOM 642 N SER A 36 -10.952 -5.750 0.041 1.00 0.00 N ATOM 643 CA SER A 36 -12.200 -6.040 -0.682 1.00 0.00 C ATOM 644 C SER A 36 -12.288 -5.237 -1.986 1.00 0.00 C ATOM 645 O SER A 36 -13.091 -4.315 -2.132 1.00 0.00 O ATOM 646 CB SER A 36 -13.415 -5.786 0.222 1.00 0.00 C ATOM 647 OG SER A 36 -13.411 -6.668 1.337 1.00 0.00 O ATOM 0 H SER A 36 -10.761 -4.749 0.087 1.00 0.00 H new ATOM 0 HA SER A 36 -12.200 -7.095 -0.956 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.405 -4.753 0.570 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.333 -5.920 -0.350 1.00 0.00 H new ATOM 0 HG SER A 36 -14.193 -6.487 1.900 1.00 0.00 H new ATOM 653 N GLU A 37 -11.455 -5.629 -2.957 1.00 0.00 N ATOM 654 CA GLU A 37 -11.542 -5.276 -4.389 1.00 0.00 C ATOM 655 C GLU A 37 -11.316 -3.801 -4.757 1.00 0.00 C ATOM 656 O GLU A 37 -11.459 -3.419 -5.918 1.00 0.00 O ATOM 657 CB GLU A 37 -12.849 -5.837 -4.981 1.00 0.00 C ATOM 658 CG GLU A 37 -13.014 -7.359 -4.834 1.00 0.00 C ATOM 659 CD GLU A 37 -11.822 -8.134 -5.421 1.00 0.00 C ATOM 660 OE1 GLU A 37 -10.888 -8.470 -4.652 1.00 0.00 O ATOM 661 OE2 GLU A 37 -11.804 -8.403 -6.647 1.00 0.00 O ATOM 0 H GLU A 37 -10.657 -6.234 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.680 -5.755 -4.853 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.693 -5.344 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.893 -5.580 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.124 -7.610 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.930 -7.673 -5.334 1.00 0.00 H new ATOM 668 N GLU A 38 -10.885 -2.984 -3.797 1.00 0.00 N ATOM 669 CA GLU A 38 -10.446 -1.596 -4.024 1.00 0.00 C ATOM 670 C GLU A 38 -9.065 -1.325 -3.412 1.00 0.00 C ATOM 671 O GLU A 38 -8.272 -0.574 -3.968 1.00 0.00 O ATOM 672 CB GLU A 38 -11.485 -0.615 -3.456 1.00 0.00 C ATOM 673 CG GLU A 38 -12.826 -0.665 -4.201 1.00 0.00 C ATOM 674 CD GLU A 38 -13.796 0.400 -3.657 1.00 0.00 C ATOM 675 OE1 GLU A 38 -13.833 1.531 -4.203 1.00 0.00 O ATOM 676 OE2 GLU A 38 -14.537 0.118 -2.683 1.00 0.00 O ATOM 0 H GLU A 38 -10.828 -3.268 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.360 -1.447 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.652 -0.841 -2.403 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.086 0.398 -3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.661 -0.503 -5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.269 -1.655 -4.094 1.00 0.00 H new ATOM 683 N GLN A 39 -8.743 -1.979 -2.294 1.00 0.00 N ATOM 684 CA GLN A 39 -7.561 -1.707 -1.473 1.00 0.00 C ATOM 685 C GLN A 39 -6.289 -2.268 -2.120 1.00 0.00 C ATOM 686 O GLN A 39 -5.282 -1.575 -2.255 1.00 0.00 O ATOM 687 CB GLN A 39 -7.802 -2.254 -0.056 1.00 0.00 C ATOM 688 CG GLN A 39 -8.970 -1.554 0.674 1.00 0.00 C ATOM 689 CD GLN A 39 -10.354 -1.975 0.185 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.551 -3.022 -0.416 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.355 -1.141 0.329 1.00 0.00 N ATOM 0 H GLN A 39 -9.316 -2.737 -1.923 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.402 -0.631 -1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.007 -3.323 -0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.892 -2.137 0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.895 -1.763 1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.866 -0.476 0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.218 -0.261 0.826 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.271 -1.372 -0.056 1.00 0.00 H new ATOM 700 N LYS A 40 -6.371 -3.488 -2.657 1.00 0.00 N ATOM 701 CA LYS A 40 -5.357 -4.067 -3.551 1.00 0.00 C ATOM 702 C LYS A 40 -5.224 -3.302 -4.877 1.00 0.00 C ATOM 703 O LYS A 40 -4.108 -3.161 -5.374 1.00 0.00 O ATOM 704 CB LYS A 40 -5.649 -5.567 -3.736 1.00 0.00 C ATOM 705 CG LYS A 40 -6.948 -5.828 -4.519 1.00 0.00 C ATOM 706 CD LYS A 40 -7.449 -7.278 -4.432 1.00 0.00 C ATOM 707 CE LYS A 40 -7.933 -7.688 -3.027 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.672 -8.977 -3.083 1.00 0.00 N ATOM 0 H LYS A 40 -7.157 -4.114 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.376 -3.964 -3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.814 -6.033 -4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.718 -6.043 -2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.726 -5.163 -4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.787 -5.572 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.266 -7.413 -5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.646 -7.949 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.080 -7.781 -2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.578 -6.910 -2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.783 -9.356 -2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.610 -8.821 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.141 -9.657 -3.663 1.00 0.00 H new ATOM 722 N LYS A 41 -6.310 -2.694 -5.385 1.00 0.00 N ATOM 723 CA LYS A 41 -6.271 -1.750 -6.530 1.00 0.00 C ATOM 724 C LYS A 41 -5.569 -0.417 -6.227 1.00 0.00 C ATOM 725 O LYS A 41 -5.380 0.392 -7.136 1.00 0.00 O ATOM 726 CB LYS A 41 -7.664 -1.514 -7.143 1.00 0.00 C ATOM 727 CG LYS A 41 -8.355 -2.794 -7.632 1.00 0.00 C ATOM 728 CD LYS A 41 -9.608 -2.431 -8.442 1.00 0.00 C ATOM 729 CE LYS A 41 -10.325 -3.694 -8.931 1.00 0.00 C ATOM 730 NZ LYS A 41 -11.559 -3.355 -9.687 1.00 0.00 N ATOM 0 H LYS A 41 -7.249 -2.841 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.653 -2.252 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.299 -1.031 -6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.569 -0.822 -7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.669 -3.376 -8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.629 -3.418 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.285 -1.838 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.329 -1.813 -9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.654 -4.273 -9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.579 -4.324 -8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.023 -4.230 -10.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.208 -2.823 -9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.311 -2.774 -10.513 1.00 0.00 H new ATOM 744 N ILE A 42 -5.137 -0.207 -4.982 1.00 0.00 N ATOM 745 CA ILE A 42 -4.221 0.863 -4.572 1.00 0.00 C ATOM 746 C ILE A 42 -2.821 0.282 -4.346 1.00 0.00 C ATOM 747 O ILE A 42 -1.878 0.723 -4.998 1.00 0.00 O ATOM 748 CB ILE A 42 -4.800 1.594 -3.342 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.109 2.320 -3.730 1.00 0.00 C ATOM 750 CG2 ILE A 42 -3.819 2.587 -2.697 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.138 2.223 -2.607 1.00 0.00 C ATOM 0 H ILE A 42 -5.425 -0.798 -4.202 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.119 1.613 -5.357 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.999 0.828 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.898 3.367 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.516 1.882 -4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.294 3.063 -1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.926 2.055 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.540 3.348 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.050 2.741 -2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.364 1.175 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.736 2.684 -1.705 1.00 0.00 H new ATOM 763 N VAL A 43 -2.662 -0.730 -3.480 1.00 0.00 N ATOM 764 CA VAL A 43 -1.320 -1.197 -3.074 1.00 0.00 C ATOM 765 C VAL A 43 -0.608 -2.003 -4.167 1.00 0.00 C ATOM 766 O VAL A 43 0.524 -1.676 -4.523 1.00 0.00 O ATOM 767 CB VAL A 43 -1.325 -1.975 -1.741 1.00 0.00 C ATOM 768 CG1 VAL A 43 0.120 -2.084 -1.226 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.185 -1.287 -0.673 1.00 0.00 C ATOM 0 H VAL A 43 -3.434 -1.238 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.748 -0.283 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.752 -2.960 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.130 -2.632 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.729 -2.612 -1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.527 -1.085 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.158 -1.871 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.795 -0.287 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.214 -1.213 -1.026 1.00 0.00 H new ATOM 779 N ALA A 44 -1.257 -3.016 -4.748 1.00 0.00 N ATOM 780 CA ALA A 44 -0.655 -3.811 -5.823 1.00 0.00 C ATOM 781 C ALA A 44 -0.463 -2.966 -7.096 1.00 0.00 C ATOM 782 O ALA A 44 0.553 -3.091 -7.782 1.00 0.00 O ATOM 783 CB ALA A 44 -1.505 -5.062 -6.076 1.00 0.00 C ATOM 0 H ALA A 44 -2.201 -3.306 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 44 0.339 -4.137 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.056 -5.651 -6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.552 -5.660 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.513 -4.765 -6.367 1.00 0.00 H new ATOM 789 N ASP A 45 -1.384 -2.034 -7.363 1.00 0.00 N ATOM 790 CA ASP A 45 -1.230 -1.029 -8.425 1.00 0.00 C ATOM 791 C ASP A 45 -0.007 -0.106 -8.219 1.00 0.00 C ATOM 792 O ASP A 45 0.673 0.230 -9.190 1.00 0.00 O ATOM 793 CB ASP A 45 -2.523 -0.215 -8.528 1.00 0.00 C ATOM 794 CG ASP A 45 -2.504 0.740 -9.733 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.647 0.260 -10.884 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.364 1.970 -9.536 1.00 0.00 O ATOM 0 H ASP A 45 -2.261 -1.954 -6.848 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.043 -1.557 -9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.373 -0.892 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.665 0.359 -7.612 1.00 0.00 H new ATOM 801 N TYR A 46 0.337 0.252 -6.973 1.00 0.00 N ATOM 802 CA TYR A 46 1.544 1.032 -6.658 1.00 0.00 C ATOM 803 C TYR A 46 2.827 0.191 -6.844 1.00 0.00 C ATOM 804 O TYR A 46 3.815 0.654 -7.420 1.00 0.00 O ATOM 805 CB TYR A 46 1.432 1.621 -5.233 1.00 0.00 C ATOM 806 CG TYR A 46 2.077 2.983 -5.002 1.00 0.00 C ATOM 807 CD1 TYR A 46 1.574 3.838 -4.003 1.00 0.00 C ATOM 808 CD2 TYR A 46 3.171 3.410 -5.773 1.00 0.00 C ATOM 809 CE1 TYR A 46 2.145 5.111 -3.785 1.00 0.00 C ATOM 810 CE2 TYR A 46 3.732 4.683 -5.591 1.00 0.00 C ATOM 811 CZ TYR A 46 3.218 5.545 -4.598 1.00 0.00 C ATOM 812 OH TYR A 46 3.789 6.763 -4.397 1.00 0.00 O ATOM 0 H TYR A 46 -0.216 0.008 -6.152 1.00 0.00 H new ATOM 0 HA TYR A 46 1.619 1.862 -7.361 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.375 1.698 -4.979 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.877 0.911 -4.536 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.741 3.516 -3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.587 2.748 -6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.764 5.750 -3.002 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.557 5.003 -6.210 1.00 0.00 H new ATOM 0 HH TYR A 46 4.512 6.896 -5.045 1.00 0.00 H new ATOM 822 N ILE A 47 2.804 -1.085 -6.454 1.00 0.00 N ATOM 823 CA ILE A 47 3.895 -2.042 -6.722 1.00 0.00 C ATOM 824 C ILE A 47 4.159 -2.167 -8.236 1.00 0.00 C ATOM 825 O ILE A 47 5.317 -2.192 -8.660 1.00 0.00 O ATOM 826 CB ILE A 47 3.570 -3.380 -6.008 1.00 0.00 C ATOM 827 CG1 ILE A 47 4.041 -3.438 -4.536 1.00 0.00 C ATOM 828 CG2 ILE A 47 4.188 -4.604 -6.691 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.962 -2.131 -3.751 1.00 0.00 C ATOM 0 H ILE A 47 2.024 -1.493 -5.939 1.00 0.00 H new ATOM 0 HA ILE A 47 4.838 -1.684 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 47 2.482 -3.411 -6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.445 -4.187 -4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.074 -3.785 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.919 -5.504 -6.138 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.812 -4.680 -7.711 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.273 -4.501 -6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.318 -2.295 -2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.583 -1.377 -4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.929 -1.786 -3.722 1.00 0.00 H new ATOM 841 N SER A 48 3.114 -2.118 -9.066 1.00 0.00 N ATOM 842 CA SER A 48 3.236 -2.051 -10.531 1.00 0.00 C ATOM 843 C SER A 48 3.760 -0.710 -11.080 1.00 0.00 C ATOM 844 O SER A 48 4.091 -0.644 -12.266 1.00 0.00 O ATOM 845 CB SER A 48 1.886 -2.357 -11.191 1.00 0.00 C ATOM 846 OG SER A 48 1.479 -3.689 -10.910 1.00 0.00 O ATOM 0 H SER A 48 2.148 -2.124 -8.740 1.00 0.00 H new ATOM 0 HA SER A 48 3.985 -2.802 -10.782 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.132 -1.657 -10.830 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.962 -2.215 -12.269 1.00 0.00 H new ATOM 0 HG SER A 48 1.139 -3.740 -9.992 1.00 0.00 H new ATOM 852 N GLU A 49 3.850 0.361 -10.278 1.00 0.00 N ATOM 853 CA GLU A 49 4.195 1.707 -10.748 1.00 0.00 C ATOM 854 C GLU A 49 5.640 2.111 -10.399 1.00 0.00 C ATOM 855 O GLU A 49 6.335 2.677 -11.247 1.00 0.00 O ATOM 856 CB GLU A 49 3.162 2.692 -10.172 1.00 0.00 C ATOM 857 CG GLU A 49 3.216 4.095 -10.785 1.00 0.00 C ATOM 858 CD GLU A 49 2.757 4.112 -12.258 1.00 0.00 C ATOM 859 OE1 GLU A 49 3.616 4.055 -13.172 1.00 0.00 O ATOM 860 OE2 GLU A 49 1.532 4.201 -12.517 1.00 0.00 O ATOM 0 H GLU A 49 3.683 0.314 -9.273 1.00 0.00 H new ATOM 0 HA GLU A 49 4.158 1.725 -11.837 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.163 2.281 -10.322 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.315 2.773 -9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.585 4.767 -10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.235 4.478 -10.720 1.00 0.00 H new ATOM 867 N VAL A 50 6.112 1.810 -9.178 1.00 0.00 N ATOM 868 CA VAL A 50 7.423 2.284 -8.666 1.00 0.00 C ATOM 869 C VAL A 50 8.339 1.191 -8.091 1.00 0.00 C ATOM 870 O VAL A 50 9.526 1.441 -7.886 1.00 0.00 O ATOM 871 CB VAL A 50 7.245 3.444 -7.665 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.375 4.573 -8.231 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.681 2.959 -6.329 1.00 0.00 C ATOM 0 H VAL A 50 5.600 1.231 -8.512 1.00 0.00 H new ATOM 0 HA VAL A 50 7.948 2.646 -9.550 1.00 0.00 H new ATOM 0 HB VAL A 50 8.242 3.848 -7.490 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.280 5.366 -7.489 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.840 4.973 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.387 4.183 -8.475 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.571 3.806 -5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.708 2.495 -6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.362 2.230 -5.890 1.00 0.00 H new ATOM 883 N GLY A 51 7.829 -0.017 -7.836 1.00 0.00 N ATOM 884 CA GLY A 51 8.618 -1.236 -7.608 1.00 0.00 C ATOM 885 C GLY A 51 8.136 -2.025 -6.395 1.00 0.00 C ATOM 886 O GLY A 51 7.431 -3.024 -6.525 1.00 0.00 O ATOM 0 H GLY A 51 6.824 -0.181 -7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.566 -1.869 -8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.665 -0.967 -7.470 1.00 0.00 H new ATOM 890 N LEU A 52 8.530 -1.567 -5.204 1.00 0.00 N ATOM 891 CA LEU A 52 8.134 -2.156 -3.915 1.00 0.00 C ATOM 892 C LEU A 52 8.310 -1.170 -2.749 1.00 0.00 C ATOM 893 O LEU A 52 7.421 -0.996 -1.919 1.00 0.00 O ATOM 894 CB LEU A 52 8.999 -3.415 -3.662 1.00 0.00 C ATOM 895 CG LEU A 52 8.379 -4.332 -2.591 1.00 0.00 C ATOM 896 CD1 LEU A 52 7.620 -5.479 -3.260 1.00 0.00 C ATOM 897 CD2 LEU A 52 9.434 -4.933 -1.666 1.00 0.00 C ATOM 0 H LEU A 52 9.146 -0.760 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 52 7.076 -2.413 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.113 -3.970 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.997 -3.112 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 52 7.706 -3.714 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.185 -6.122 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.826 -5.073 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.307 -6.060 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.949 -5.572 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.137 -5.525 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.970 -4.132 -1.157 1.00 0.00 H new ATOM 909 N ASN A 53 9.479 -0.531 -2.718 1.00 0.00 N ATOM 910 CA ASN A 53 9.974 0.302 -1.608 1.00 0.00 C ATOM 911 C ASN A 53 9.941 1.816 -1.888 1.00 0.00 C ATOM 912 O ASN A 53 10.109 2.617 -0.967 1.00 0.00 O ATOM 913 CB ASN A 53 11.404 -0.150 -1.257 1.00 0.00 C ATOM 914 CG ASN A 53 11.479 -1.582 -0.759 1.00 0.00 C ATOM 915 OD1 ASN A 53 10.931 -1.936 0.276 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.151 -2.455 -1.477 1.00 0.00 N ATOM 0 H ASN A 53 10.139 -0.578 -3.495 1.00 0.00 H new ATOM 0 HA ASN A 53 9.296 0.154 -0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.036 -0.046 -2.139 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.810 0.514 -0.494 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.215 -3.426 -1.171 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.608 -2.161 -2.340 1.00 0.00 H new ATOM 923 N ASN A 54 9.746 2.218 -3.149 1.00 0.00 N ATOM 924 CA ASN A 54 9.863 3.621 -3.586 1.00 0.00 C ATOM 925 C ASN A 54 8.551 4.418 -3.423 1.00 0.00 C ATOM 926 O ASN A 54 8.539 5.645 -3.547 1.00 0.00 O ATOM 927 CB ASN A 54 10.398 3.651 -5.029 1.00 0.00 C ATOM 928 CG ASN A 54 11.665 2.826 -5.186 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.708 3.123 -4.622 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.592 1.726 -5.902 1.00 0.00 N ATOM 0 H ASN A 54 9.501 1.577 -3.903 1.00 0.00 H new ATOM 0 HA ASN A 54 10.573 4.129 -2.933 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.633 3.272 -5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.599 4.682 -5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.407 1.118 -5.988 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.721 1.480 -6.372 1.00 0.00 H new ATOM 937 N LEU A 55 7.450 3.712 -3.140 1.00 0.00 N ATOM 938 CA LEU A 55 6.126 4.260 -2.837 1.00 0.00 C ATOM 939 C LEU A 55 6.042 4.975 -1.480 1.00 0.00 C ATOM 940 O LEU A 55 6.988 4.966 -0.689 1.00 0.00 O ATOM 941 CB LEU A 55 5.097 3.126 -2.974 1.00 0.00 C ATOM 942 CG LEU A 55 5.252 1.913 -2.044 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.748 2.156 -0.623 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.424 0.780 -2.631 1.00 0.00 C ATOM 0 H LEU A 55 7.461 2.692 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 55 5.906 5.050 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.106 3.550 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.126 2.767 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 55 6.317 1.690 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.891 1.255 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.305 2.979 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.688 2.408 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.510 -0.101 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.379 1.085 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.789 0.543 -3.631 1.00 0.00 H new ATOM 956 N ASN A 56 4.882 5.580 -1.203 1.00 0.00 N ATOM 957 CA ASN A 56 4.628 6.342 0.014 1.00 0.00 C ATOM 958 C ASN A 56 3.501 5.721 0.857 1.00 0.00 C ATOM 959 O ASN A 56 2.358 5.637 0.406 1.00 0.00 O ATOM 960 CB ASN A 56 4.326 7.794 -0.393 1.00 0.00 C ATOM 961 CG ASN A 56 4.984 8.761 0.561 1.00 0.00 C ATOM 962 OD1 ASN A 56 4.483 9.047 1.637 1.00 0.00 O ATOM 963 ND2 ASN A 56 6.157 9.233 0.210 1.00 0.00 N ATOM 0 H ASN A 56 4.081 5.550 -1.834 1.00 0.00 H new ATOM 0 HA ASN A 56 5.508 6.321 0.657 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.683 7.975 -1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.249 7.959 -0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.668 9.851 0.841 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.558 8.982 -0.694 1.00 0.00 H new ATOM 970 N ALA A 57 3.795 5.346 2.106 1.00 0.00 N ATOM 971 CA ALA A 57 2.801 4.803 3.039 1.00 0.00 C ATOM 972 C ALA A 57 1.685 5.820 3.379 1.00 0.00 C ATOM 973 O ALA A 57 0.560 5.422 3.682 1.00 0.00 O ATOM 974 CB ALA A 57 3.540 4.311 4.292 1.00 0.00 C ATOM 0 H ALA A 57 4.733 5.411 2.501 1.00 0.00 H new ATOM 0 HA ALA A 57 2.284 3.968 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.821 3.902 5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.254 3.537 4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.070 5.145 4.752 1.00 0.00 H new ATOM 980 N THR A 58 1.968 7.122 3.260 1.00 0.00 N ATOM 981 CA THR A 58 0.990 8.216 3.414 1.00 0.00 C ATOM 982 C THR A 58 -0.025 8.249 2.264 1.00 0.00 C ATOM 983 O THR A 58 -1.224 8.370 2.487 1.00 0.00 O ATOM 984 CB THR A 58 1.715 9.567 3.526 1.00 0.00 C ATOM 985 OG1 THR A 58 2.644 9.525 4.591 1.00 0.00 O ATOM 986 CG2 THR A 58 0.770 10.736 3.797 1.00 0.00 C ATOM 0 H THR A 58 2.908 7.458 3.048 1.00 0.00 H new ATOM 0 HA THR A 58 0.434 8.029 4.333 1.00 0.00 H new ATOM 0 HB THR A 58 2.201 9.728 2.564 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.105 10.387 4.657 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.344 11.660 3.865 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.048 10.816 2.984 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.242 10.567 4.736 1.00 0.00 H new ATOM 994 N GLU A 59 0.414 8.085 1.013 1.00 0.00 N ATOM 995 CA GLU A 59 -0.493 7.965 -0.141 1.00 0.00 C ATOM 996 C GLU A 59 -1.376 6.710 -0.044 1.00 0.00 C ATOM 997 O GLU A 59 -2.573 6.780 -0.337 1.00 0.00 O ATOM 998 CB GLU A 59 0.307 7.943 -1.452 1.00 0.00 C ATOM 999 CG GLU A 59 1.043 9.252 -1.771 1.00 0.00 C ATOM 1000 CD GLU A 59 0.069 10.395 -2.111 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.311 11.161 -1.193 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.322 10.539 -3.294 1.00 0.00 O ATOM 0 H GLU A 59 1.403 8.031 0.768 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.147 8.837 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.036 7.134 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.372 7.713 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.656 9.540 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.720 9.092 -2.610 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.824 5.587 0.439 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.604 4.375 0.720 1.00 0.00 C ATOM 1011 C LEU A 60 -2.689 4.632 1.778 1.00 0.00 C ATOM 1012 O LEU A 60 -3.858 4.350 1.534 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.696 3.214 1.170 1.00 0.00 C ATOM 1014 CG LEU A 60 0.334 2.705 0.145 1.00 0.00 C ATOM 1015 CD1 LEU A 60 1.038 1.477 0.722 1.00 0.00 C ATOM 1016 CD2 LEU A 60 -0.308 2.299 -1.176 1.00 0.00 C ATOM 0 H LEU A 60 0.171 5.494 0.645 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.094 4.092 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.159 3.529 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.332 2.377 1.458 1.00 0.00 H new ATOM 0 HG LEU A 60 1.029 3.521 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.771 1.107 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.543 1.749 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.303 0.698 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.463 1.948 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.028 1.500 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.818 3.158 -1.612 1.00 0.00 H new ATOM 1028 N SER A 61 -2.339 5.211 2.928 1.00 0.00 N ATOM 1029 CA SER A 61 -3.277 5.470 4.029 1.00 0.00 C ATOM 1030 C SER A 61 -4.371 6.486 3.679 1.00 0.00 C ATOM 1031 O SER A 61 -5.486 6.385 4.193 1.00 0.00 O ATOM 1032 CB SER A 61 -2.505 5.896 5.279 1.00 0.00 C ATOM 1033 OG SER A 61 -1.842 7.121 5.061 1.00 0.00 O ATOM 0 H SER A 61 -1.387 5.518 3.126 1.00 0.00 H new ATOM 0 HA SER A 61 -3.802 4.535 4.225 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.191 5.993 6.121 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.780 5.127 5.545 1.00 0.00 H new ATOM 0 HG SER A 61 -1.815 7.312 4.100 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.094 7.398 2.739 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.044 8.393 2.199 1.00 0.00 C ATOM 1041 C LYS A 62 -6.066 7.758 1.253 1.00 0.00 C ATOM 1042 O LYS A 62 -7.265 8.015 1.380 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.272 9.513 1.476 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.594 10.498 2.445 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.523 11.354 1.750 1.00 0.00 C ATOM 1046 CE LYS A 62 -3.105 12.248 0.648 1.00 0.00 C ATOM 1047 NZ LYS A 62 -2.036 13.001 -0.053 1.00 0.00 N ATOM 0 H LYS A 62 -3.169 7.470 2.314 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.598 8.813 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.515 9.067 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.958 10.061 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.349 11.150 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.137 9.942 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.024 11.977 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.764 10.701 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.652 11.636 -0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.820 12.946 1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.466 13.707 -0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.435 13.482 0.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.457 12.342 -0.612 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.604 6.912 0.324 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.444 6.194 -0.656 1.00 0.00 C ATOM 1063 C ARG A 63 -7.262 5.057 -0.030 1.00 0.00 C ATOM 1064 O ARG A 63 -8.435 4.883 -0.358 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.530 5.625 -1.754 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.074 6.617 -2.833 1.00 0.00 C ATOM 1067 CD ARG A 63 -6.234 7.036 -3.751 1.00 0.00 C ATOM 1068 NE ARG A 63 -5.753 7.464 -5.082 1.00 0.00 N ATOM 1069 CZ ARG A 63 -5.306 8.654 -5.441 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -4.914 8.861 -6.666 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -5.235 9.654 -4.610 1.00 0.00 N ATOM 0 H ARG A 63 -4.611 6.699 0.227 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.162 6.906 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.644 5.203 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.052 4.802 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.649 7.501 -2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.282 6.165 -3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.926 6.202 -3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.790 7.850 -3.286 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.768 6.753 -5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.952 8.104 -7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.569 9.780 -6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.531 9.534 -3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.884 10.557 -4.928 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.635 4.279 0.854 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.148 3.020 1.419 1.00 0.00 C ATOM 1087 C LEU A 64 -7.908 3.241 2.745 1.00 0.00 C ATOM 1088 O LEU A 64 -8.747 2.422 3.117 1.00 0.00 O ATOM 1089 CB LEU A 64 -5.924 2.086 1.536 1.00 0.00 C ATOM 1090 CG LEU A 64 -6.125 0.565 1.496 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -4.770 -0.087 1.209 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -6.648 -0.047 2.793 1.00 0.00 C ATOM 0 H LEU A 64 -5.711 4.517 1.216 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.902 2.563 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.237 2.346 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.420 2.324 2.473 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.877 0.382 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.887 -1.170 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.392 0.267 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.065 0.178 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.758 -1.124 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.944 0.155 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.616 0.391 3.037 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.668 4.374 3.419 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.252 4.757 4.714 1.00 0.00 C ATOM 1106 C ASN A 65 -7.872 3.786 5.854 1.00 0.00 C ATOM 1107 O ASN A 65 -8.689 3.050 6.410 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.754 5.079 4.568 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.370 5.598 5.859 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -11.283 5.016 6.429 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -9.902 6.718 6.366 1.00 0.00 N ATOM 0 H ASN A 65 -7.030 5.084 3.059 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.797 5.693 5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.888 5.822 3.782 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.285 4.181 4.252 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.300 7.094 7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.141 7.211 5.898 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.582 3.825 6.187 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.897 3.130 7.292 1.00 0.00 C ATOM 1120 C ILE A 66 -5.008 4.148 8.035 1.00 0.00 C ATOM 1121 O ILE A 66 -4.866 5.287 7.590 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.085 1.911 6.763 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.210 2.287 5.546 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -6.039 0.745 6.456 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.331 1.182 4.954 1.00 0.00 C ATOM 0 H ILE A 66 -5.927 4.391 5.647 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.628 2.727 7.993 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.393 1.589 7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.866 2.656 4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.563 3.115 5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.467 -0.106 6.086 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.568 0.459 7.365 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.760 1.054 5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.770 1.578 4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.637 0.823 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.960 0.357 4.619 1.00 0.00 H new ATOM 1137 N THR A 67 -4.387 3.761 9.151 1.00 0.00 N ATOM 1138 CA THR A 67 -3.285 4.543 9.746 1.00 0.00 C ATOM 1139 C THR A 67 -1.977 4.299 8.982 1.00 0.00 C ATOM 1140 O THR A 67 -1.786 3.231 8.392 1.00 0.00 O ATOM 1141 CB THR A 67 -3.147 4.302 11.260 1.00 0.00 C ATOM 1142 OG1 THR A 67 -2.170 5.175 11.782 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.732 2.881 11.641 1.00 0.00 C ATOM 0 H THR A 67 -4.623 2.913 9.666 1.00 0.00 H new ATOM 0 HA THR A 67 -3.530 5.600 9.643 1.00 0.00 H new ATOM 0 HB THR A 67 -4.140 4.477 11.674 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.080 5.026 12.746 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.659 2.802 12.726 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.476 2.174 11.275 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.764 2.653 11.195 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.061 5.272 8.997 1.00 0.00 N ATOM 1152 CA VAL A 68 0.235 5.200 8.292 1.00 0.00 C ATOM 1153 C VAL A 68 1.045 3.982 8.748 1.00 0.00 C ATOM 1154 O VAL A 68 1.671 3.310 7.933 1.00 0.00 O ATOM 1155 CB VAL A 68 1.059 6.492 8.499 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.313 6.505 7.614 1.00 0.00 C ATOM 1157 CG2 VAL A 68 0.269 7.764 8.164 1.00 0.00 C ATOM 0 H VAL A 68 -1.195 6.147 9.505 1.00 0.00 H new ATOM 0 HA VAL A 68 0.020 5.095 7.229 1.00 0.00 H new ATOM 0 HB VAL A 68 1.322 6.490 9.557 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.869 7.427 7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.942 5.650 7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.019 6.447 6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.899 8.638 8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.044 7.734 7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.611 7.825 8.805 1.00 0.00 H new ATOM 1167 N ASP A 69 0.971 3.632 10.031 1.00 0.00 N ATOM 1168 CA ASP A 69 1.674 2.474 10.592 1.00 0.00 C ATOM 1169 C ASP A 69 1.149 1.126 10.078 1.00 0.00 C ATOM 1170 O ASP A 69 1.945 0.215 9.833 1.00 0.00 O ATOM 1171 CB ASP A 69 1.630 2.555 12.124 1.00 0.00 C ATOM 1172 CG ASP A 69 2.462 1.442 12.784 1.00 0.00 C ATOM 1173 OD1 ASP A 69 1.867 0.504 13.367 1.00 0.00 O ATOM 1174 OD2 ASP A 69 3.713 1.520 12.742 1.00 0.00 O ATOM 0 H ASP A 69 0.418 4.146 10.717 1.00 0.00 H new ATOM 0 HA ASP A 69 2.708 2.517 10.250 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.004 3.527 12.447 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.596 2.483 12.461 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.161 1.013 9.806 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.717 -0.178 9.151 1.00 0.00 C ATOM 1181 C LYS A 70 -0.270 -0.273 7.700 1.00 0.00 C ATOM 1182 O LYS A 70 0.002 -1.379 7.253 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.248 -0.270 9.288 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.656 -0.849 10.656 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.093 -1.395 10.689 1.00 0.00 C ATOM 1186 CE LYS A 70 -5.163 -0.321 10.457 1.00 0.00 C ATOM 1187 NZ LYS A 70 -6.532 -0.900 10.529 1.00 0.00 N ATOM 0 H LYS A 70 -0.851 1.730 10.029 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.313 -1.043 9.677 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.686 0.721 9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.649 -0.897 8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.966 -1.649 10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.553 -0.073 11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.196 -2.169 9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.270 -1.870 11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.059 0.467 11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.012 0.142 9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.235 -0.150 10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.637 -1.635 9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.682 -1.320 11.469 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.084 0.843 6.995 1.00 0.00 N ATOM 1202 CA ALA A 71 0.453 0.830 5.627 1.00 0.00 C ATOM 1203 C ALA A 71 1.935 0.417 5.629 1.00 0.00 C ATOM 1204 O ALA A 71 2.318 -0.524 4.934 1.00 0.00 O ATOM 1205 CB ALA A 71 0.231 2.210 4.989 1.00 0.00 C ATOM 0 H ALA A 71 -0.298 1.775 7.349 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.074 0.088 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.627 2.209 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.836 2.431 4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.745 2.970 5.578 1.00 0.00 H new ATOM 1211 N LYS A 72 2.745 1.054 6.485 1.00 0.00 N ATOM 1212 CA LYS A 72 4.190 0.799 6.647 1.00 0.00 C ATOM 1213 C LYS A 72 4.503 -0.669 6.953 1.00 0.00 C ATOM 1214 O LYS A 72 5.469 -1.204 6.407 1.00 0.00 O ATOM 1215 CB LYS A 72 4.750 1.707 7.756 1.00 0.00 C ATOM 1216 CG LYS A 72 4.966 3.160 7.314 1.00 0.00 C ATOM 1217 CD LYS A 72 5.290 4.100 8.487 1.00 0.00 C ATOM 1218 CE LYS A 72 6.531 3.723 9.310 1.00 0.00 C ATOM 1219 NZ LYS A 72 7.794 3.874 8.537 1.00 0.00 N ATOM 0 H LYS A 72 2.404 1.787 7.107 1.00 0.00 H new ATOM 0 HA LYS A 72 4.671 1.028 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.066 1.693 8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.698 1.298 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.780 3.197 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.070 3.517 6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.427 5.108 8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.428 4.131 9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.577 4.350 10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.438 2.692 9.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.601 3.608 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.765 3.257 7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.899 4.863 8.234 1.00 0.00 H new ATOM 1233 N THR A 73 3.688 -1.339 7.777 1.00 0.00 N ATOM 1234 CA THR A 73 3.861 -2.778 8.055 1.00 0.00 C ATOM 1235 C THR A 73 3.210 -3.669 6.992 1.00 0.00 C ATOM 1236 O THR A 73 3.831 -4.629 6.540 1.00 0.00 O ATOM 1237 CB THR A 73 3.438 -3.140 9.489 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.030 -4.368 9.850 1.00 0.00 O ATOM 1239 CG2 THR A 73 1.931 -3.283 9.701 1.00 0.00 C ATOM 0 H THR A 73 2.901 -0.911 8.265 1.00 0.00 H new ATOM 0 HA THR A 73 4.929 -2.985 7.990 1.00 0.00 H new ATOM 0 HB THR A 73 3.772 -2.305 10.105 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.765 -4.603 10.764 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.733 -3.539 10.742 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.439 -2.341 9.459 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.546 -4.071 9.054 1.00 0.00 H new ATOM 1247 N TYR A 74 2.009 -3.337 6.504 1.00 0.00 N ATOM 1248 CA TYR A 74 1.297 -4.138 5.500 1.00 0.00 C ATOM 1249 C TYR A 74 2.086 -4.288 4.186 1.00 0.00 C ATOM 1250 O TYR A 74 2.065 -5.370 3.601 1.00 0.00 O ATOM 1251 CB TYR A 74 -0.087 -3.530 5.247 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.825 -4.163 4.094 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -1.382 -5.450 4.224 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -0.868 -3.487 2.863 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.943 -6.086 3.099 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.428 -4.120 1.746 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.932 -5.431 1.849 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.356 -6.071 0.728 1.00 0.00 O ATOM 0 H TYR A 74 1.501 -2.502 6.795 1.00 0.00 H new ATOM 0 HA TYR A 74 1.185 -5.146 5.899 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.689 -3.629 6.151 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.024 -2.463 5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.379 -5.948 5.183 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.472 -2.486 2.779 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.379 -7.070 3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.474 -3.600 0.801 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.280 -5.469 -0.041 1.00 0.00 H new ATOM 1268 N ILE A 75 2.848 -3.261 3.779 1.00 0.00 N ATOM 1269 CA ILE A 75 3.799 -3.317 2.654 1.00 0.00 C ATOM 1270 C ILE A 75 4.689 -4.572 2.764 1.00 0.00 C ATOM 1271 O ILE A 75 4.572 -5.483 1.945 1.00 0.00 O ATOM 1272 CB ILE A 75 4.617 -1.999 2.594 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.754 -0.819 2.087 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.865 -2.116 1.695 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.311 0.548 2.524 1.00 0.00 C ATOM 0 H ILE A 75 2.821 -2.347 4.232 1.00 0.00 H new ATOM 0 HA ILE A 75 3.256 -3.404 1.713 1.00 0.00 H new ATOM 0 HB ILE A 75 4.941 -1.809 3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.699 -0.854 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.736 -0.930 2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.400 -1.166 1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.519 -2.898 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.559 -2.366 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.669 1.342 2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.341 0.598 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.318 0.674 2.127 1.00 0.00 H new ATOM 1287 N LYS A 76 5.525 -4.682 3.808 1.00 0.00 N ATOM 1288 CA LYS A 76 6.428 -5.834 3.992 1.00 0.00 C ATOM 1289 C LYS A 76 5.712 -7.122 4.412 1.00 0.00 C ATOM 1290 O LYS A 76 6.256 -8.206 4.220 1.00 0.00 O ATOM 1291 CB LYS A 76 7.578 -5.473 4.956 1.00 0.00 C ATOM 1292 CG LYS A 76 7.187 -5.539 6.446 1.00 0.00 C ATOM 1293 CD LYS A 76 8.316 -5.113 7.391 1.00 0.00 C ATOM 1294 CE LYS A 76 8.437 -3.586 7.432 1.00 0.00 C ATOM 1295 NZ LYS A 76 9.540 -3.150 8.330 1.00 0.00 N ATOM 0 H LYS A 76 5.596 -3.981 4.545 1.00 0.00 H new ATOM 0 HA LYS A 76 6.851 -6.055 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.414 -6.150 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.929 -4.467 4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.321 -4.899 6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.884 -6.557 6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.122 -5.495 8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.259 -5.549 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.615 -3.207 6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.496 -3.155 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.594 -2.111 8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.357 -3.491 9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.441 -3.542 7.989 1.00 0.00 H new ATOM 1309 N ASN A 77 4.514 -7.038 4.993 1.00 0.00 N ATOM 1310 CA ASN A 77 3.771 -8.219 5.446 1.00 0.00 C ATOM 1311 C ASN A 77 3.038 -8.938 4.297 1.00 0.00 C ATOM 1312 O ASN A 77 2.914 -10.163 4.314 1.00 0.00 O ATOM 1313 CB ASN A 77 2.832 -7.817 6.598 1.00 0.00 C ATOM 1314 CG ASN A 77 2.701 -8.939 7.607 1.00 0.00 C ATOM 1315 OD1 ASN A 77 1.727 -9.676 7.650 1.00 0.00 O ATOM 1316 ND2 ASN A 77 3.708 -9.106 8.438 1.00 0.00 N ATOM 0 H ASN A 77 4.032 -6.155 5.163 1.00 0.00 H new ATOM 0 HA ASN A 77 4.482 -8.955 5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.216 -6.923 7.090 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.849 -7.564 6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.681 -9.857 9.128 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.515 -8.484 8.392 1.00 0.00 H new ATOM 1420 N THR A 84 15.054 -10.787 -1.827 1.00 0.00 N ATOM 1421 CA THR A 84 15.364 -11.742 -0.736 1.00 0.00 C ATOM 1422 C THR A 84 15.917 -11.120 0.563 1.00 0.00 C ATOM 1423 O THR A 84 16.614 -11.778 1.337 1.00 0.00 O ATOM 1424 CB THR A 84 16.242 -12.903 -1.258 1.00 0.00 C ATOM 1425 OG1 THR A 84 17.371 -12.455 -1.979 1.00 0.00 O ATOM 1426 CG2 THR A 84 15.451 -13.827 -2.187 1.00 0.00 C ATOM 0 HA THR A 84 14.399 -12.141 -0.425 1.00 0.00 H new ATOM 0 HB THR A 84 16.569 -13.435 -0.364 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.161 -11.606 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 84 16.098 -14.632 -2.536 1.00 0.00 H new ATOM 0 HG22 THR A 84 14.605 -14.250 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 84 15.086 -13.258 -3.042 1.00 0.00 H new ATOM 1434 N ASN A 85 15.633 -9.831 0.797 1.00 0.00 N ATOM 1435 CA ASN A 85 16.273 -8.978 1.812 1.00 0.00 C ATOM 1436 C ASN A 85 17.828 -9.021 1.813 1.00 0.00 C ATOM 1437 O ASN A 85 18.464 -8.760 2.834 1.00 0.00 O ATOM 1438 CB ASN A 85 15.592 -9.232 3.176 1.00 0.00 C ATOM 1439 CG ASN A 85 15.935 -8.203 4.247 1.00 0.00 C ATOM 1440 OD1 ASN A 85 16.524 -8.505 5.276 1.00 0.00 O ATOM 1441 ND2 ASN A 85 15.546 -6.958 4.064 1.00 0.00 N ATOM 0 H ASN A 85 14.922 -9.332 0.263 1.00 0.00 H new ATOM 0 HA ASN A 85 16.105 -7.934 1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 85 14.511 -9.245 3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 85 15.878 -10.221 3.534 1.00 0.00 H new ATOM 0 HD21 ASN A 85 15.736 -6.254 4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 85 15.054 -6.698 3.209 1.00 0.00 H new ATOM 1448 N ASN A 86 18.457 -9.337 0.671 1.00 0.00 N ATOM 1449 CA ASN A 86 19.915 -9.445 0.500 1.00 0.00 C ATOM 1450 C ASN A 86 20.570 -8.175 -0.094 1.00 0.00 C ATOM 1451 O ASN A 86 21.792 -8.038 -0.095 1.00 0.00 O ATOM 1452 CB ASN A 86 20.249 -10.747 -0.264 1.00 0.00 C ATOM 1453 CG ASN A 86 20.563 -10.554 -1.740 1.00 0.00 C ATOM 1454 OD1 ASN A 86 21.706 -10.618 -2.171 1.00 0.00 O ATOM 1455 ND2 ASN A 86 19.576 -10.299 -2.562 1.00 0.00 N ATOM 0 H ASN A 86 17.946 -9.532 -0.190 1.00 0.00 H new ATOM 0 HA ASN A 86 20.370 -9.512 1.488 1.00 0.00 H new ATOM 0 HB2 ASN A 86 21.103 -11.225 0.216 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.407 -11.433 -0.172 1.00 0.00 H new ATOM 0 HD21 ASN A 86 19.763 -10.155 -3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 86 18.620 -10.244 -2.210 1.00 0.00 H new ATOM 1462 N PHE A 87 19.761 -7.212 -0.550 1.00 0.00 N ATOM 1463 CA PHE A 87 20.150 -5.971 -1.245 1.00 0.00 C ATOM 1464 C PHE A 87 20.854 -4.905 -0.367 1.00 0.00 C ATOM 1465 O PHE A 87 20.988 -3.747 -0.763 1.00 0.00 O ATOM 1466 CB PHE A 87 18.891 -5.415 -1.934 1.00 0.00 C ATOM 1467 CG PHE A 87 17.754 -5.064 -0.984 1.00 0.00 C ATOM 1468 CD1 PHE A 87 17.780 -3.856 -0.260 1.00 0.00 C ATOM 1469 CD2 PHE A 87 16.674 -5.953 -0.811 1.00 0.00 C ATOM 1470 CE1 PHE A 87 16.743 -3.543 0.636 1.00 0.00 C ATOM 1471 CE2 PHE A 87 15.627 -5.631 0.072 1.00 0.00 C ATOM 1472 CZ PHE A 87 15.663 -4.428 0.799 1.00 0.00 C ATOM 0 H PHE A 87 18.749 -7.280 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 87 20.922 -6.226 -1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 87 19.165 -4.523 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 87 18.532 -6.150 -2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 87 18.601 -3.167 -0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 87 16.650 -6.884 -1.358 1.00 0.00 H new ATOM 0 HE1 PHE A 87 16.776 -2.622 1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 87 14.795 -6.309 0.192 1.00 0.00 H new ATOM 0 HZ PHE A 87 14.862 -4.184 1.482 1.00 0.00 H new ATOM 1482 N LYS A 88 21.333 -5.281 0.823 1.00 0.00 N ATOM 1483 CA LYS A 88 21.899 -4.399 1.867 1.00 0.00 C ATOM 1484 C LYS A 88 23.332 -3.923 1.598 1.00 0.00 C ATOM 1485 O LYS A 88 23.924 -3.216 2.415 1.00 0.00 O ATOM 1486 CB LYS A 88 21.786 -5.114 3.224 1.00 0.00 C ATOM 1487 CG LYS A 88 22.519 -6.470 3.279 1.00 0.00 C ATOM 1488 CD LYS A 88 21.596 -7.574 3.818 1.00 0.00 C ATOM 1489 CE LYS A 88 22.235 -8.969 3.777 1.00 0.00 C ATOM 1490 NZ LYS A 88 23.285 -9.141 4.816 1.00 0.00 N ATOM 0 H LYS A 88 21.340 -6.261 1.106 1.00 0.00 H new ATOM 0 HA LYS A 88 21.313 -3.480 1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 88 22.187 -4.463 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 88 20.732 -5.272 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 88 22.869 -6.739 2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.400 -6.385 3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 88 21.320 -7.338 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 88 20.675 -7.586 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 88 21.462 -9.724 3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 88 22.671 -9.138 2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 23.687 -10.098 4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 24.038 -8.438 4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 22.866 -9.007 5.758 1.00 0.00 H new ATOM 1504 N THR A 89 23.871 -4.326 0.451 1.00 0.00 N ATOM 1505 CA THR A 89 25.267 -4.173 0.039 1.00 0.00 C ATOM 1506 C THR A 89 25.356 -3.990 -1.480 1.00 0.00 C ATOM 1507 O THR A 89 25.994 -3.053 -1.962 1.00 0.00 O ATOM 1508 CB THR A 89 26.029 -5.436 0.480 1.00 0.00 C ATOM 1509 OG1 THR A 89 26.077 -5.522 1.890 1.00 0.00 O ATOM 1510 CG2 THR A 89 27.458 -5.475 -0.024 1.00 0.00 C ATOM 0 H THR A 89 23.312 -4.797 -0.261 1.00 0.00 H new ATOM 0 HA THR A 89 25.706 -3.290 0.503 1.00 0.00 H new ATOM 0 HB THR A 89 25.480 -6.273 0.048 1.00 0.00 H new ATOM 0 HG1 THR A 89 26.563 -6.331 2.152 1.00 0.00 H new ATOM 0 HG21 THR A 89 27.941 -6.389 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 89 27.460 -5.452 -1.114 1.00 0.00 H new ATOM 0 HG23 THR A 89 28.002 -4.611 0.358 1.00 0.00 H new ATOM 1518 N ILE A 90 24.680 -4.857 -2.241 1.00 0.00 N ATOM 1519 CA ILE A 90 24.661 -4.841 -3.714 1.00 0.00 C ATOM 1520 C ILE A 90 23.841 -3.631 -4.206 1.00 0.00 C ATOM 1521 O ILE A 90 22.995 -3.118 -3.473 1.00 0.00 O ATOM 1522 CB ILE A 90 24.145 -6.199 -4.277 1.00 0.00 C ATOM 1523 CG1 ILE A 90 24.750 -7.412 -3.520 1.00 0.00 C ATOM 1524 CG2 ILE A 90 24.468 -6.325 -5.780 1.00 0.00 C ATOM 1525 CD1 ILE A 90 24.252 -8.784 -3.994 1.00 0.00 C ATOM 0 H ILE A 90 24.116 -5.609 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 90 25.675 -4.724 -4.095 1.00 0.00 H new ATOM 0 HB ILE A 90 23.065 -6.209 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 90 25.835 -7.381 -3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 90 24.526 -7.307 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 90 24.099 -7.281 -6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 90 23.987 -5.513 -6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 90 25.547 -6.271 -5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 90 24.730 -9.568 -3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 90 23.171 -8.843 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 90 24.500 -8.917 -5.047 1.00 0.00 H new ATOM 1537 N LYS A 91 24.093 -3.165 -5.437 1.00 0.00 N ATOM 1538 CA LYS A 91 23.447 -2.006 -6.103 1.00 0.00 C ATOM 1539 C LYS A 91 23.766 -0.617 -5.510 1.00 0.00 C ATOM 1540 O LYS A 91 23.346 0.381 -6.095 1.00 0.00 O ATOM 1541 CB LYS A 91 21.910 -2.210 -6.221 1.00 0.00 C ATOM 1542 CG LYS A 91 21.397 -3.525 -6.841 1.00 0.00 C ATOM 1543 CD LYS A 91 21.218 -3.500 -8.369 1.00 0.00 C ATOM 1544 CE LYS A 91 22.522 -3.266 -9.142 1.00 0.00 C ATOM 1545 NZ LYS A 91 22.302 -3.326 -10.612 1.00 0.00 N ATOM 0 H LYS A 91 24.791 -3.606 -6.036 1.00 0.00 H new ATOM 0 HA LYS A 91 23.901 -1.990 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 91 21.485 -2.125 -5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 91 21.508 -1.385 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 91 22.092 -4.325 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 91 20.440 -3.776 -6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 91 20.781 -4.446 -8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 91 20.507 -2.716 -8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 91 22.936 -2.294 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 91 23.258 -4.016 -8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 23.203 -3.164 -11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.930 -4.263 -10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.618 -2.594 -10.891 1.00 0.00 H new ATOM 1559 N MET A 92 24.504 -0.521 -4.396 1.00 0.00 N ATOM 1560 CA MET A 92 24.737 0.755 -3.686 1.00 0.00 C ATOM 1561 C MET A 92 26.125 1.374 -3.921 1.00 0.00 C ATOM 1562 O MET A 92 26.217 2.585 -4.135 1.00 0.00 O ATOM 1563 CB MET A 92 24.471 0.590 -2.182 1.00 0.00 C ATOM 1564 CG MET A 92 23.038 0.123 -1.895 1.00 0.00 C ATOM 1565 SD MET A 92 22.447 0.449 -0.211 1.00 0.00 S ATOM 1566 CE MET A 92 23.655 -0.526 0.720 1.00 0.00 C ATOM 0 H MET A 92 24.958 -1.322 -3.958 1.00 0.00 H new ATOM 0 HA MET A 92 24.026 1.461 -4.116 1.00 0.00 H new ATOM 0 HB2 MET A 92 25.176 -0.130 -1.767 1.00 0.00 H new ATOM 0 HB3 MET A 92 24.650 1.539 -1.677 1.00 0.00 H new ATOM 0 HG2 MET A 92 22.365 0.610 -2.601 1.00 0.00 H new ATOM 0 HG3 MET A 92 22.977 -0.949 -2.084 1.00 0.00 H new ATOM 0 HE1 MET A 92 23.269 -0.725 1.720 1.00 0.00 H new ATOM 0 HE2 MET A 92 23.835 -1.470 0.206 1.00 0.00 H new ATOM 0 HE3 MET A 92 24.590 0.029 0.796 1.00 0.00 H new ATOM 1576 N PHE A 93 27.198 0.574 -3.901 1.00 0.00 N ATOM 1577 CA PHE A 93 28.582 1.056 -4.096 1.00 0.00 C ATOM 1578 C PHE A 93 29.076 0.963 -5.554 1.00 0.00 C ATOM 1579 O PHE A 93 30.148 1.475 -5.883 1.00 0.00 O ATOM 1580 CB PHE A 93 29.529 0.334 -3.122 1.00 0.00 C ATOM 1581 CG PHE A 93 29.843 -1.113 -3.469 1.00 0.00 C ATOM 1582 CD1 PHE A 93 30.951 -1.424 -4.283 1.00 0.00 C ATOM 1583 CD2 PHE A 93 29.038 -2.153 -2.967 1.00 0.00 C ATOM 1584 CE1 PHE A 93 31.243 -2.762 -4.602 1.00 0.00 C ATOM 1585 CE2 PHE A 93 29.326 -3.491 -3.291 1.00 0.00 C ATOM 1586 CZ PHE A 93 30.428 -3.796 -4.109 1.00 0.00 C ATOM 0 H PHE A 93 27.136 -0.433 -3.749 1.00 0.00 H new ATOM 0 HA PHE A 93 28.582 2.123 -3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 93 30.466 0.890 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 93 29.089 0.364 -2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 93 31.578 -0.631 -4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 93 28.196 -1.923 -2.331 1.00 0.00 H new ATOM 0 HE1 PHE A 93 32.093 -2.995 -5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 93 28.700 -4.285 -2.911 1.00 0.00 H new ATOM 0 HZ PHE A 93 30.648 -4.823 -4.358 1.00 0.00 H new ATOM 1596 N GLU A 94 28.309 0.306 -6.428 1.00 0.00 N ATOM 1597 CA GLU A 94 28.655 0.042 -7.832 1.00 0.00 C ATOM 1598 C GLU A 94 28.025 1.071 -8.791 1.00 0.00 C ATOM 1599 O GLU A 94 26.934 1.591 -8.542 1.00 0.00 O ATOM 1600 CB GLU A 94 28.226 -1.384 -8.217 1.00 0.00 C ATOM 1601 CG GLU A 94 28.907 -2.468 -7.368 1.00 0.00 C ATOM 1602 CD GLU A 94 28.443 -3.872 -7.799 1.00 0.00 C ATOM 1603 OE1 GLU A 94 29.192 -4.566 -8.531 1.00 0.00 O ATOM 1604 OE2 GLU A 94 27.322 -4.286 -7.412 1.00 0.00 O ATOM 0 H GLU A 94 27.397 -0.071 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 94 29.737 0.136 -7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 94 27.145 -1.473 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 94 28.458 -1.555 -9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 94 29.989 -2.390 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 94 28.675 -2.311 -6.315 1.00 0.00 H new