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 180:sc= 0.757 USER MOD Set 1.2: A 86 ASN : amide:sc= 0.824 K(o=1.6,f=0.41) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 77 ASN : amide:sc= 0.952 K(o=0.95,f=0.21) USER MOD Set 3.1: A 56 ASN : amide:sc= 0.154 K(o=0.15,f=-4.4!) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.116 K(o=0.12,f=-6.4!) USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= 1.1 (180deg=1) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0.0101 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.193 K(o=-0.19,f=-5.8!) USER MOD Single : A 61 SER OG : rot -15:sc= 0.245 USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= 1.21 (180deg=1.1) USER MOD Single : A 65 ASN : amide:sc= 0.372 X(o=0.37,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 74 TYR OH : rot 180:sc=-0.000564 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0.628 K(o=0.63,f=-0.00075) 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 -162:sc= 0 (180deg=-0.224) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -9.008 -6.143 2.792 1.00 0.00 N ATOM 624 CA LEU A 35 -8.732 -6.057 1.349 1.00 0.00 C ATOM 625 C LEU A 35 -9.822 -6.701 0.466 1.00 0.00 C ATOM 626 O LEU A 35 -9.744 -7.871 0.080 1.00 0.00 O ATOM 627 CB LEU A 35 -7.296 -6.549 1.044 1.00 0.00 C ATOM 628 CG LEU A 35 -6.322 -5.408 0.710 1.00 0.00 C ATOM 629 CD1 LEU A 35 -6.025 -4.508 1.913 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.011 -6.001 0.212 1.00 0.00 C ATOM 0 HA LEU A 35 -8.777 -5.005 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.918 -7.100 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.328 -7.247 0.207 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.798 -4.793 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.332 -3.721 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.952 -4.059 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.579 -5.102 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.315 -5.197 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.581 -6.635 0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.197 -6.597 -0.682 1.00 0.00 H new ATOM 642 N SER A 36 -10.818 -5.897 0.082 1.00 0.00 N ATOM 643 CA SER A 36 -11.966 -6.340 -0.721 1.00 0.00 C ATOM 644 C SER A 36 -11.637 -6.385 -2.203 1.00 0.00 C ATOM 645 O SER A 36 -11.436 -7.459 -2.775 1.00 0.00 O ATOM 646 CB SER A 36 -13.222 -5.522 -0.386 1.00 0.00 C ATOM 647 OG SER A 36 -14.349 -6.052 -1.064 1.00 0.00 O ATOM 0 H SER A 36 -10.852 -4.906 0.323 1.00 0.00 H new ATOM 0 HA SER A 36 -12.197 -7.370 -0.451 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.397 -5.535 0.690 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.073 -4.481 -0.672 1.00 0.00 H new ATOM 0 HG SER A 36 -15.143 -5.523 -0.841 1.00 0.00 H new ATOM 653 N GLU A 37 -11.526 -5.219 -2.828 1.00 0.00 N ATOM 654 CA GLU A 37 -11.329 -5.104 -4.271 1.00 0.00 C ATOM 655 C GLU A 37 -10.823 -3.724 -4.678 1.00 0.00 C ATOM 656 O GLU A 37 -9.953 -3.612 -5.534 1.00 0.00 O ATOM 657 CB GLU A 37 -12.668 -5.427 -4.961 1.00 0.00 C ATOM 658 CG GLU A 37 -12.407 -6.365 -6.133 1.00 0.00 C ATOM 659 CD GLU A 37 -13.689 -6.636 -6.941 1.00 0.00 C ATOM 660 OE1 GLU A 37 -13.962 -5.887 -7.912 1.00 0.00 O ATOM 661 OE2 GLU A 37 -14.427 -7.601 -6.623 1.00 0.00 O ATOM 0 H GLU A 37 -11.570 -4.321 -2.347 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.559 -5.810 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.354 -5.891 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.142 -4.510 -5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.650 -5.930 -6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.004 -7.308 -5.762 1.00 0.00 H new ATOM 668 N GLU A 38 -11.292 -2.674 -4.004 1.00 0.00 N ATOM 669 CA GLU A 38 -10.762 -1.319 -4.179 1.00 0.00 C ATOM 670 C GLU A 38 -9.397 -1.155 -3.489 1.00 0.00 C ATOM 671 O GLU A 38 -8.522 -0.465 -4.004 1.00 0.00 O ATOM 672 CB GLU A 38 -11.806 -0.314 -3.665 1.00 0.00 C ATOM 673 CG GLU A 38 -11.432 1.140 -3.976 1.00 0.00 C ATOM 674 CD GLU A 38 -12.602 2.090 -3.659 1.00 0.00 C ATOM 675 OE1 GLU A 38 -13.348 2.475 -4.593 1.00 0.00 O ATOM 676 OE2 GLU A 38 -12.787 2.465 -2.475 1.00 0.00 O ATOM 0 H GLU A 38 -12.048 -2.737 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.582 -1.126 -5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.773 -0.540 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.919 -0.433 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.557 1.427 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.158 1.232 -5.027 1.00 0.00 H new ATOM 683 N GLN A 39 -9.173 -1.838 -2.359 1.00 0.00 N ATOM 684 CA GLN A 39 -7.993 -1.634 -1.503 1.00 0.00 C ATOM 685 C GLN A 39 -6.697 -2.126 -2.170 1.00 0.00 C ATOM 686 O GLN A 39 -5.677 -1.438 -2.175 1.00 0.00 O ATOM 687 CB GLN A 39 -8.221 -2.339 -0.156 1.00 0.00 C ATOM 688 CG GLN A 39 -9.339 -1.724 0.706 1.00 0.00 C ATOM 689 CD GLN A 39 -10.755 -1.999 0.208 1.00 0.00 C ATOM 690 OE1 GLN A 39 -11.034 -2.974 -0.482 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.693 -1.138 0.525 1.00 0.00 N ATOM 0 H GLN A 39 -9.810 -2.554 -2.009 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.868 -0.563 -1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.459 -3.386 -0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.290 -2.321 0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.246 -2.105 1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.189 -0.645 0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.467 -0.325 1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.648 -1.281 0.198 1.00 0.00 H new ATOM 700 N LYS A 40 -6.750 -3.290 -2.824 1.00 0.00 N ATOM 701 CA LYS A 40 -5.648 -3.818 -3.651 1.00 0.00 C ATOM 702 C LYS A 40 -5.441 -3.029 -4.953 1.00 0.00 C ATOM 703 O LYS A 40 -4.304 -2.908 -5.404 1.00 0.00 O ATOM 704 CB LYS A 40 -5.834 -5.331 -3.851 1.00 0.00 C ATOM 705 CG LYS A 40 -7.123 -5.706 -4.607 1.00 0.00 C ATOM 706 CD LYS A 40 -7.641 -7.119 -4.283 1.00 0.00 C ATOM 707 CE LYS A 40 -8.067 -7.268 -2.808 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.801 -8.536 -2.561 1.00 0.00 N ATOM 0 H LYS A 40 -7.565 -3.903 -2.797 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.709 -3.674 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.976 -5.724 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.841 -5.818 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.899 -4.980 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.939 -5.633 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.489 -7.348 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.863 -7.848 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.183 -7.232 -2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.697 -6.425 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.845 -8.718 -1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.766 -8.458 -2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.306 -9.321 -3.031 1.00 0.00 H new ATOM 722 N LYS A 41 -6.483 -2.363 -5.470 1.00 0.00 N ATOM 723 CA LYS A 41 -6.379 -1.335 -6.536 1.00 0.00 C ATOM 724 C LYS A 41 -5.757 -0.003 -6.077 1.00 0.00 C ATOM 725 O LYS A 41 -5.623 0.915 -6.886 1.00 0.00 O ATOM 726 CB LYS A 41 -7.739 -1.123 -7.229 1.00 0.00 C ATOM 727 CG LYS A 41 -8.198 -2.390 -7.958 1.00 0.00 C ATOM 728 CD LYS A 41 -9.595 -2.219 -8.570 1.00 0.00 C ATOM 729 CE LYS A 41 -10.048 -3.534 -9.219 1.00 0.00 C ATOM 730 NZ LYS A 41 -11.394 -3.409 -9.838 1.00 0.00 N ATOM 0 H LYS A 41 -7.442 -2.520 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.673 -1.734 -7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.486 -0.837 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.663 -0.300 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.484 -2.636 -8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.206 -3.228 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.305 -1.921 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.580 -1.423 -9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.325 -3.833 -9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.065 -4.323 -8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.665 -4.317 -10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.089 -3.149 -9.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.371 -2.673 -10.573 1.00 0.00 H new ATOM 744 N ILE A 42 -5.330 0.094 -4.814 1.00 0.00 N ATOM 745 CA ILE A 42 -4.504 1.186 -4.270 1.00 0.00 C ATOM 746 C ILE A 42 -3.089 0.688 -3.934 1.00 0.00 C ATOM 747 O ILE A 42 -2.122 1.361 -4.284 1.00 0.00 O ATOM 748 CB ILE A 42 -5.232 1.826 -3.069 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.501 2.567 -3.555 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.348 2.789 -2.260 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.661 2.387 -2.580 1.00 0.00 C ATOM 0 H ILE A 42 -5.557 -0.611 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.370 1.965 -5.021 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.500 1.009 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.282 3.629 -3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.789 2.193 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.923 3.202 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.485 2.250 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.008 3.599 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.536 2.920 -2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.896 1.327 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.382 2.785 -1.605 1.00 0.00 H new ATOM 763 N VAL A 43 -2.941 -0.494 -3.315 1.00 0.00 N ATOM 764 CA VAL A 43 -1.615 -1.047 -2.961 1.00 0.00 C ATOM 765 C VAL A 43 -0.917 -1.703 -4.156 1.00 0.00 C ATOM 766 O VAL A 43 0.128 -1.224 -4.591 1.00 0.00 O ATOM 767 CB VAL A 43 -1.657 -2.009 -1.757 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.223 -2.391 -1.353 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.354 -1.376 -0.551 1.00 0.00 C ATOM 0 H VAL A 43 -3.724 -1.090 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.021 -0.185 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.221 -2.892 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.254 -3.071 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.273 -2.881 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.330 -1.492 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.364 -2.085 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.817 -0.476 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.378 -1.116 -0.818 1.00 0.00 H new ATOM 779 N ALA A 44 -1.473 -2.781 -4.716 1.00 0.00 N ATOM 780 CA ALA A 44 -0.842 -3.539 -5.803 1.00 0.00 C ATOM 781 C ALA A 44 -0.754 -2.729 -7.112 1.00 0.00 C ATOM 782 O ALA A 44 0.197 -2.882 -7.878 1.00 0.00 O ATOM 783 CB ALA A 44 -1.587 -4.865 -5.983 1.00 0.00 C ATOM 0 H ALA A 44 -2.377 -3.155 -4.428 1.00 0.00 H new ATOM 0 HA ALA A 44 0.192 -3.751 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.125 -5.435 -6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.537 -5.439 -5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.630 -4.666 -6.231 1.00 0.00 H new ATOM 789 N ASP A 45 -1.685 -1.793 -7.322 1.00 0.00 N ATOM 790 CA ASP A 45 -1.605 -0.774 -8.383 1.00 0.00 C ATOM 791 C ASP A 45 -0.435 0.223 -8.222 1.00 0.00 C ATOM 792 O ASP A 45 -0.044 0.868 -9.193 1.00 0.00 O ATOM 793 CB ASP A 45 -2.947 -0.035 -8.428 1.00 0.00 C ATOM 794 CG ASP A 45 -3.082 0.893 -9.648 1.00 0.00 C ATOM 795 OD1 ASP A 45 -3.073 2.136 -9.477 1.00 0.00 O ATOM 796 OD2 ASP A 45 -3.243 0.377 -10.781 1.00 0.00 O ATOM 0 H ASP A 45 -2.529 -1.718 -6.754 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.401 -1.288 -9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.757 -0.764 -8.442 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.063 0.552 -7.517 1.00 0.00 H new ATOM 801 N TYR A 46 0.165 0.330 -7.031 1.00 0.00 N ATOM 802 CA TYR A 46 1.407 1.078 -6.785 1.00 0.00 C ATOM 803 C TYR A 46 2.649 0.185 -7.013 1.00 0.00 C ATOM 804 O TYR A 46 3.666 0.633 -7.545 1.00 0.00 O ATOM 805 CB TYR A 46 1.353 1.665 -5.360 1.00 0.00 C ATOM 806 CG TYR A 46 2.017 3.017 -5.145 1.00 0.00 C ATOM 807 CD1 TYR A 46 3.249 3.327 -5.740 1.00 0.00 C ATOM 808 CD2 TYR A 46 1.412 3.963 -4.297 1.00 0.00 C ATOM 809 CE1 TYR A 46 3.869 4.575 -5.532 1.00 0.00 C ATOM 810 CE2 TYR A 46 2.061 5.178 -4.003 1.00 0.00 C ATOM 811 CZ TYR A 46 3.285 5.497 -4.634 1.00 0.00 C ATOM 812 OH TYR A 46 3.917 6.663 -4.327 1.00 0.00 O ATOM 0 H TYR A 46 -0.207 -0.111 -6.190 1.00 0.00 H new ATOM 0 HA TYR A 46 1.496 1.900 -7.495 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.306 1.751 -5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.815 0.949 -4.681 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.732 2.595 -6.370 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.443 3.756 -3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.781 4.825 -6.053 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.623 5.866 -3.295 1.00 0.00 H new ATOM 0 HH TYR A 46 3.370 7.175 -3.695 1.00 0.00 H new ATOM 822 N ILE A 47 2.561 -1.112 -6.700 1.00 0.00 N ATOM 823 CA ILE A 47 3.648 -2.092 -6.910 1.00 0.00 C ATOM 824 C ILE A 47 4.028 -2.241 -8.399 1.00 0.00 C ATOM 825 O ILE A 47 5.163 -2.593 -8.726 1.00 0.00 O ATOM 826 CB ILE A 47 3.260 -3.432 -6.228 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.981 -3.267 -4.712 1.00 0.00 C ATOM 828 CG2 ILE A 47 4.293 -4.555 -6.401 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.968 -2.366 -3.961 1.00 0.00 C ATOM 0 H ILE A 47 1.724 -1.523 -6.287 1.00 0.00 H new ATOM 0 HA ILE A 47 4.559 -1.726 -6.437 1.00 0.00 H new ATOM 0 HB ILE A 47 2.349 -3.724 -6.751 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.977 -2.863 -4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.989 -4.253 -4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.942 -5.454 -5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.427 -4.766 -7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.245 -4.244 -5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.687 -2.315 -2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.974 -2.776 -4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.946 -1.365 -4.391 1.00 0.00 H new ATOM 841 N SER A 48 3.125 -1.878 -9.313 1.00 0.00 N ATOM 842 CA SER A 48 3.387 -1.791 -10.760 1.00 0.00 C ATOM 843 C SER A 48 3.882 -0.414 -11.256 1.00 0.00 C ATOM 844 O SER A 48 4.248 -0.296 -12.428 1.00 0.00 O ATOM 845 CB SER A 48 2.156 -2.266 -11.542 1.00 0.00 C ATOM 846 OG SER A 48 1.018 -1.476 -11.240 1.00 0.00 O ATOM 0 H SER A 48 2.167 -1.630 -9.066 1.00 0.00 H new ATOM 0 HA SER A 48 4.228 -2.457 -10.953 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.361 -2.218 -12.611 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.951 -3.310 -11.303 1.00 0.00 H new ATOM 0 HG SER A 48 0.249 -1.800 -11.754 1.00 0.00 H new ATOM 852 N GLU A 49 3.951 0.621 -10.404 1.00 0.00 N ATOM 853 CA GLU A 49 4.428 1.969 -10.768 1.00 0.00 C ATOM 854 C GLU A 49 5.920 2.159 -10.485 1.00 0.00 C ATOM 855 O GLU A 49 6.682 2.518 -11.386 1.00 0.00 O ATOM 856 CB GLU A 49 3.650 3.057 -10.006 1.00 0.00 C ATOM 857 CG GLU A 49 2.174 3.137 -10.382 1.00 0.00 C ATOM 858 CD GLU A 49 1.952 3.948 -11.674 1.00 0.00 C ATOM 859 OE1 GLU A 49 1.658 5.166 -11.588 1.00 0.00 O ATOM 860 OE2 GLU A 49 2.072 3.382 -12.788 1.00 0.00 O ATOM 0 H GLU A 49 3.673 0.546 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 49 4.259 2.065 -11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.733 2.867 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.116 4.024 -10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.778 2.130 -10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.616 3.595 -9.566 1.00 0.00 H new ATOM 867 N VAL A 50 6.325 1.945 -9.227 1.00 0.00 N ATOM 868 CA VAL A 50 7.655 2.348 -8.718 1.00 0.00 C ATOM 869 C VAL A 50 8.519 1.167 -8.259 1.00 0.00 C ATOM 870 O VAL A 50 9.725 1.151 -8.514 1.00 0.00 O ATOM 871 CB VAL A 50 7.535 3.435 -7.625 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.844 4.696 -8.159 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.790 2.953 -6.385 1.00 0.00 C ATOM 0 H VAL A 50 5.743 1.487 -8.526 1.00 0.00 H new ATOM 0 HA VAL A 50 8.184 2.783 -9.566 1.00 0.00 H new ATOM 0 HB VAL A 50 8.560 3.669 -7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.777 5.439 -7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.422 5.104 -8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.842 4.443 -8.505 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.739 3.760 -5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.780 2.650 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.318 2.104 -5.951 1.00 0.00 H new ATOM 883 N GLY A 51 7.914 0.155 -7.632 1.00 0.00 N ATOM 884 CA GLY A 51 8.560 -1.098 -7.240 1.00 0.00 C ATOM 885 C GLY A 51 7.904 -1.721 -6.010 1.00 0.00 C ATOM 886 O GLY A 51 6.974 -2.510 -6.135 1.00 0.00 O ATOM 0 H GLY A 51 6.927 0.188 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.516 -1.803 -8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.614 -0.913 -7.034 1.00 0.00 H new ATOM 890 N LEU A 52 8.404 -1.372 -4.823 1.00 0.00 N ATOM 891 CA LEU A 52 7.923 -1.852 -3.516 1.00 0.00 C ATOM 892 C LEU A 52 8.506 -1.023 -2.362 1.00 0.00 C ATOM 893 O LEU A 52 7.788 -0.582 -1.467 1.00 0.00 O ATOM 894 CB LEU A 52 8.332 -3.335 -3.348 1.00 0.00 C ATOM 895 CG LEU A 52 7.968 -3.960 -1.988 1.00 0.00 C ATOM 896 CD1 LEU A 52 6.459 -4.014 -1.771 1.00 0.00 C ATOM 897 CD2 LEU A 52 8.515 -5.384 -1.911 1.00 0.00 C ATOM 0 H LEU A 52 9.186 -0.722 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 52 6.838 -1.748 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.859 -3.919 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.409 -3.418 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 52 8.410 -3.331 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.247 -4.462 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.051 -3.004 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.000 -4.615 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.255 -5.822 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.081 -5.984 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.599 -5.364 -2.020 1.00 0.00 H new ATOM 909 N ASN A 53 9.821 -0.808 -2.401 1.00 0.00 N ATOM 910 CA ASN A 53 10.634 -0.262 -1.301 1.00 0.00 C ATOM 911 C ASN A 53 10.863 1.259 -1.413 1.00 0.00 C ATOM 912 O ASN A 53 11.814 1.819 -0.863 1.00 0.00 O ATOM 913 CB ASN A 53 11.930 -1.086 -1.175 1.00 0.00 C ATOM 914 CG ASN A 53 11.664 -2.559 -0.909 1.00 0.00 C ATOM 915 OD1 ASN A 53 11.076 -2.940 0.093 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.065 -3.436 -1.801 1.00 0.00 N ATOM 0 H ASN A 53 10.376 -1.016 -3.231 1.00 0.00 H new ATOM 0 HA ASN A 53 10.080 -0.364 -0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.510 -0.985 -2.092 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.538 -0.679 -0.367 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.885 -4.430 -1.656 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.556 -3.123 -2.639 1.00 0.00 H new ATOM 923 N ASN A 54 10.005 1.903 -2.200 1.00 0.00 N ATOM 924 CA ASN A 54 10.198 3.213 -2.819 1.00 0.00 C ATOM 925 C ASN A 54 8.878 3.996 -3.017 1.00 0.00 C ATOM 926 O ASN A 54 8.906 5.161 -3.421 1.00 0.00 O ATOM 927 CB ASN A 54 10.947 2.985 -4.151 1.00 0.00 C ATOM 928 CG ASN A 54 10.437 1.820 -4.983 1.00 0.00 C ATOM 929 OD1 ASN A 54 9.318 1.349 -4.865 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.265 1.259 -5.822 1.00 0.00 N ATOM 0 H ASN A 54 9.099 1.499 -2.438 1.00 0.00 H new ATOM 0 HA ASN A 54 10.786 3.845 -2.153 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.881 3.895 -4.748 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.003 2.822 -3.934 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.971 0.445 -6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.206 1.635 -5.938 1.00 0.00 H new ATOM 937 N LEU A 55 7.729 3.379 -2.713 1.00 0.00 N ATOM 938 CA LEU A 55 6.411 4.019 -2.685 1.00 0.00 C ATOM 939 C LEU A 55 6.163 4.792 -1.380 1.00 0.00 C ATOM 940 O LEU A 55 6.827 4.546 -0.369 1.00 0.00 O ATOM 941 CB LEU A 55 5.337 2.960 -2.987 1.00 0.00 C ATOM 942 CG LEU A 55 5.081 1.884 -1.915 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.096 2.364 -0.847 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.472 0.659 -2.593 1.00 0.00 C ATOM 0 H LEU A 55 7.692 2.389 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 55 6.362 4.782 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.397 3.478 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.613 2.454 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 55 6.033 1.656 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.944 1.574 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.498 3.248 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.143 2.611 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.284 -0.114 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.533 0.937 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.163 0.278 -3.344 1.00 0.00 H new ATOM 956 N ASN A 56 5.189 5.706 -1.385 1.00 0.00 N ATOM 957 CA ASN A 56 4.802 6.471 -0.199 1.00 0.00 C ATOM 958 C ASN A 56 3.561 5.863 0.479 1.00 0.00 C ATOM 959 O ASN A 56 2.451 5.910 -0.054 1.00 0.00 O ATOM 960 CB ASN A 56 4.621 7.946 -0.587 1.00 0.00 C ATOM 961 CG ASN A 56 4.325 8.839 0.609 1.00 0.00 C ATOM 962 OD1 ASN A 56 4.273 8.412 1.753 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.118 10.115 0.390 1.00 0.00 N ATOM 0 H ASN A 56 4.645 5.936 -2.216 1.00 0.00 H new ATOM 0 HA ASN A 56 5.594 6.420 0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.524 8.300 -1.084 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.807 8.030 -1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.916 10.740 1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.159 10.483 -0.561 1.00 0.00 H new ATOM 970 N ALA A 57 3.752 5.350 1.694 1.00 0.00 N ATOM 971 CA ALA A 57 2.716 4.741 2.529 1.00 0.00 C ATOM 972 C ALA A 57 1.576 5.711 2.912 1.00 0.00 C ATOM 973 O ALA A 57 0.457 5.270 3.179 1.00 0.00 O ATOM 974 CB ALA A 57 3.425 4.200 3.773 1.00 0.00 C ATOM 0 H ALA A 57 4.669 5.347 2.142 1.00 0.00 H new ATOM 0 HA ALA A 57 2.219 3.950 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.695 3.733 4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.170 3.462 3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.916 5.020 4.297 1.00 0.00 H new ATOM 980 N THR A 58 1.828 7.024 2.894 1.00 0.00 N ATOM 981 CA THR A 58 0.809 8.065 3.120 1.00 0.00 C ATOM 982 C THR A 58 -0.247 8.090 2.008 1.00 0.00 C ATOM 983 O THR A 58 -1.434 8.252 2.273 1.00 0.00 O ATOM 984 CB THR A 58 1.479 9.441 3.263 1.00 0.00 C ATOM 985 OG1 THR A 58 2.356 9.427 4.371 1.00 0.00 O ATOM 986 CG2 THR A 58 0.481 10.572 3.490 1.00 0.00 C ATOM 0 H THR A 58 2.759 7.403 2.720 1.00 0.00 H new ATOM 0 HA THR A 58 0.291 7.822 4.048 1.00 0.00 H new ATOM 0 HB THR A 58 2.003 9.624 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.784 10.304 4.460 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.017 11.517 3.583 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.206 10.626 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.082 10.383 4.404 1.00 0.00 H new ATOM 994 N GLU A 59 0.145 7.880 0.752 1.00 0.00 N ATOM 995 CA GLU A 59 -0.789 7.838 -0.383 1.00 0.00 C ATOM 996 C GLU A 59 -1.690 6.591 -0.347 1.00 0.00 C ATOM 997 O GLU A 59 -2.880 6.678 -0.662 1.00 0.00 O ATOM 998 CB GLU A 59 -0.015 7.918 -1.706 1.00 0.00 C ATOM 999 CG GLU A 59 0.950 9.111 -1.804 1.00 0.00 C ATOM 1000 CD GLU A 59 0.252 10.465 -1.568 1.00 0.00 C ATOM 1001 OE1 GLU A 59 0.460 11.089 -0.498 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.524 10.916 -2.443 1.00 0.00 O ATOM 0 H GLU A 59 1.119 7.734 0.488 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.446 8.704 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.551 6.996 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.729 7.975 -2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.749 8.987 -1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.417 9.115 -2.789 1.00 0.00 H new ATOM 1009 N LEU A 60 -1.155 5.454 0.118 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.950 4.261 0.450 1.00 0.00 C ATOM 1011 C LEU A 60 -2.968 4.574 1.556 1.00 0.00 C ATOM 1012 O LEU A 60 -4.166 4.368 1.370 1.00 0.00 O ATOM 1013 CB LEU A 60 -1.044 3.091 0.894 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.397 2.263 -0.227 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.457 3.099 -1.169 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.508 1.200 0.398 1.00 0.00 C ATOM 0 H LEU A 60 -0.154 5.334 0.276 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.485 3.964 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.250 3.494 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.634 2.419 1.517 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.211 1.825 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.886 2.457 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.161 3.864 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.259 3.576 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.972 0.607 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.283 1.685 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.085 0.549 1.040 1.00 0.00 H new ATOM 1028 N SER A 61 -2.517 5.100 2.696 1.00 0.00 N ATOM 1029 CA SER A 61 -3.353 5.329 3.880 1.00 0.00 C ATOM 1030 C SER A 61 -4.432 6.398 3.674 1.00 0.00 C ATOM 1031 O SER A 61 -5.519 6.275 4.241 1.00 0.00 O ATOM 1032 CB SER A 61 -2.468 5.639 5.088 1.00 0.00 C ATOM 1033 OG SER A 61 -1.815 6.876 4.920 1.00 0.00 O ATOM 0 H SER A 61 -1.546 5.384 2.827 1.00 0.00 H new ATOM 0 HA SER A 61 -3.904 4.407 4.067 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.074 5.662 5.994 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.730 4.847 5.218 1.00 0.00 H new ATOM 0 HG SER A 61 -1.870 7.150 3.981 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.185 7.371 2.788 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.158 8.374 2.308 1.00 0.00 C ATOM 1041 C LYS A 62 -6.352 7.735 1.589 1.00 0.00 C ATOM 1042 O LYS A 62 -7.498 8.028 1.933 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.460 9.362 1.353 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.711 10.506 2.055 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.772 11.188 1.049 1.00 0.00 C ATOM 1046 CE LYS A 62 -2.143 12.466 1.611 1.00 0.00 C ATOM 1047 NZ LYS A 62 -1.191 13.055 0.632 1.00 0.00 N ATOM 0 H LYS A 62 -3.264 7.490 2.365 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.540 8.896 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.755 8.810 0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.207 9.790 0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.421 11.229 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.140 10.119 2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.982 10.493 0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.328 11.428 0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.924 13.189 1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.623 12.243 2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.616 13.783 1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.569 12.309 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.721 13.486 -0.152 1.00 0.00 H new ATOM 1061 N ARG A 63 -6.097 6.873 0.594 1.00 0.00 N ATOM 1062 CA ARG A 63 -7.139 6.300 -0.289 1.00 0.00 C ATOM 1063 C ARG A 63 -7.781 5.027 0.270 1.00 0.00 C ATOM 1064 O ARG A 63 -8.983 4.824 0.107 1.00 0.00 O ATOM 1065 CB ARG A 63 -6.570 6.061 -1.698 1.00 0.00 C ATOM 1066 CG ARG A 63 -6.195 7.368 -2.417 1.00 0.00 C ATOM 1067 CD ARG A 63 -5.828 7.129 -3.893 1.00 0.00 C ATOM 1068 NE ARG A 63 -6.746 7.828 -4.821 1.00 0.00 N ATOM 1069 CZ ARG A 63 -7.936 7.437 -5.244 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -8.631 8.198 -6.041 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -8.472 6.303 -4.893 1.00 0.00 N ATOM 0 H ARG A 63 -5.156 6.547 0.373 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.941 7.036 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.688 5.425 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.305 5.521 -2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.030 8.066 -2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.354 7.835 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.808 7.468 -4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.849 6.059 -4.102 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.419 8.725 -5.179 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.257 9.099 -6.341 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.549 7.893 -6.365 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.970 5.674 -4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.394 6.044 -5.245 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.996 4.192 0.951 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.438 2.955 1.616 1.00 0.00 C ATOM 1087 C LEU A 64 -8.080 3.252 2.991 1.00 0.00 C ATOM 1088 O LEU A 64 -8.860 2.448 3.497 1.00 0.00 O ATOM 1089 CB LEU A 64 -6.210 2.020 1.676 1.00 0.00 C ATOM 1090 CG LEU A 64 -6.445 0.501 1.621 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -5.102 -0.184 1.372 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -7.038 -0.108 2.890 1.00 0.00 C ATOM 0 H LEU A 64 -5.996 4.360 1.062 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.232 2.457 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.551 2.284 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.670 2.239 2.597 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.173 0.342 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.247 -1.264 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.686 0.164 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.414 0.058 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.166 -1.182 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.366 0.073 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.006 0.350 3.095 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.816 4.437 3.559 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.366 4.936 4.829 1.00 0.00 C ATOM 1106 C ASN A 65 -7.944 4.057 6.028 1.00 0.00 C ATOM 1107 O ASN A 65 -8.756 3.403 6.686 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.876 5.216 4.682 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.428 6.094 5.795 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.710 7.271 5.612 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.598 5.563 6.984 1.00 0.00 N ATOM 0 H ASN A 65 -7.182 5.107 3.124 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.925 5.902 5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.059 5.698 3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.416 4.269 4.671 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.963 6.131 7.749 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.365 4.583 7.143 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.636 4.062 6.288 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.942 3.355 7.380 1.00 0.00 C ATOM 1120 C ILE A 66 -4.990 4.307 8.120 1.00 0.00 C ATOM 1121 O ILE A 66 -4.761 5.447 7.716 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.182 2.093 6.873 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.407 2.369 5.572 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -6.139 0.904 6.768 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.594 1.219 4.979 1.00 0.00 C ATOM 0 H ILE A 66 -5.986 4.592 5.708 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.704 3.009 8.079 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.421 1.828 7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.122 2.700 4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.728 3.202 5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.595 0.029 6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.565 0.692 7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.940 1.142 6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.101 1.554 4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.842 0.896 5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.257 0.386 4.748 1.00 0.00 H new ATOM 1137 N THR A 67 -4.405 3.806 9.202 1.00 0.00 N ATOM 1138 CA THR A 67 -3.251 4.398 9.887 1.00 0.00 C ATOM 1139 C THR A 67 -2.010 4.261 8.997 1.00 0.00 C ATOM 1140 O THR A 67 -1.796 3.204 8.399 1.00 0.00 O ATOM 1141 CB THR A 67 -3.071 3.686 11.238 1.00 0.00 C ATOM 1142 OG1 THR A 67 -4.119 4.069 12.103 1.00 0.00 O ATOM 1143 CG2 THR A 67 -1.754 3.982 11.943 1.00 0.00 C ATOM 0 H THR A 67 -4.729 2.947 9.646 1.00 0.00 H new ATOM 0 HA THR A 67 -3.406 5.460 10.075 1.00 0.00 H new ATOM 0 HB THR A 67 -3.077 2.620 11.012 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.012 3.618 12.966 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.716 3.437 12.886 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.924 3.669 11.309 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.678 5.052 12.139 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.163 5.296 8.926 1.00 0.00 N ATOM 1152 CA VAL A 68 0.042 5.303 8.065 1.00 0.00 C ATOM 1153 C VAL A 68 0.974 4.132 8.391 1.00 0.00 C ATOM 1154 O VAL A 68 1.493 3.467 7.500 1.00 0.00 O ATOM 1155 CB VAL A 68 0.825 6.634 8.174 1.00 0.00 C ATOM 1156 CG1 VAL A 68 1.841 6.762 7.030 1.00 0.00 C ATOM 1157 CG2 VAL A 68 -0.077 7.877 8.139 1.00 0.00 C ATOM 0 H VAL A 68 -1.288 6.155 9.461 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.314 5.196 7.040 1.00 0.00 H new ATOM 0 HB VAL A 68 1.323 6.596 9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.380 7.704 7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.548 5.933 7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.318 6.739 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.537 8.774 8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.630 7.899 7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.779 7.841 8.972 1.00 0.00 H new ATOM 1167 N ASP A 69 1.117 3.809 9.677 1.00 0.00 N ATOM 1168 CA ASP A 69 1.972 2.712 10.142 1.00 0.00 C ATOM 1169 C ASP A 69 1.448 1.321 9.752 1.00 0.00 C ATOM 1170 O ASP A 69 2.247 0.414 9.507 1.00 0.00 O ATOM 1171 CB ASP A 69 2.180 2.841 11.657 1.00 0.00 C ATOM 1172 CG ASP A 69 3.227 1.844 12.183 1.00 0.00 C ATOM 1173 OD1 ASP A 69 2.851 0.912 12.935 1.00 0.00 O ATOM 1174 OD2 ASP A 69 4.429 2.012 11.869 1.00 0.00 O ATOM 0 H ASP A 69 0.641 4.303 10.431 1.00 0.00 H new ATOM 0 HA ASP A 69 2.933 2.801 9.635 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.496 3.857 11.894 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.232 2.674 12.168 1.00 0.00 H new ATOM 1179 N LYS A 70 0.125 1.162 9.587 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.459 -0.083 9.071 1.00 0.00 C ATOM 1181 C LYS A 70 -0.116 -0.287 7.600 1.00 0.00 C ATOM 1182 O LYS A 70 0.177 -1.413 7.218 1.00 0.00 O ATOM 1183 CB LYS A 70 -1.976 -0.139 9.319 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.302 -0.276 10.814 1.00 0.00 C ATOM 1185 CD LYS A 70 -3.816 -0.423 11.038 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.191 -0.502 12.527 1.00 0.00 C ATOM 1187 NZ LYS A 70 -3.716 -1.757 13.171 1.00 0.00 N ATOM 0 H LYS A 70 -0.561 1.884 9.805 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.015 -0.911 9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.443 0.764 8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.403 -0.981 8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.784 -1.143 11.224 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.935 0.598 11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.330 0.423 10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.169 -1.321 10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.766 0.354 13.051 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.274 -0.433 12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.995 -1.760 14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.141 -2.576 12.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.680 -1.813 13.100 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.036 0.781 6.803 1.00 0.00 N ATOM 1202 CA ALA A 71 0.450 0.699 5.421 1.00 0.00 C ATOM 1203 C ALA A 71 1.956 0.385 5.398 1.00 0.00 C ATOM 1204 O ALA A 71 2.377 -0.564 4.735 1.00 0.00 O ATOM 1205 CB ALA A 71 0.116 2.008 4.686 1.00 0.00 C ATOM 0 H ALA A 71 -0.304 1.721 7.093 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.050 -0.117 4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.476 1.950 3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.963 2.159 4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.599 2.843 5.193 1.00 0.00 H new ATOM 1211 N LYS A 72 2.753 1.111 6.195 1.00 0.00 N ATOM 1212 CA LYS A 72 4.222 0.954 6.280 1.00 0.00 C ATOM 1213 C LYS A 72 4.651 -0.476 6.635 1.00 0.00 C ATOM 1214 O LYS A 72 5.639 -0.963 6.082 1.00 0.00 O ATOM 1215 CB LYS A 72 4.813 1.952 7.291 1.00 0.00 C ATOM 1216 CG LYS A 72 4.800 3.408 6.803 1.00 0.00 C ATOM 1217 CD LYS A 72 5.177 4.426 7.894 1.00 0.00 C ATOM 1218 CE LYS A 72 6.549 4.206 8.550 1.00 0.00 C ATOM 1219 NZ LYS A 72 7.678 4.442 7.609 1.00 0.00 N ATOM 0 H LYS A 72 2.393 1.839 6.812 1.00 0.00 H new ATOM 0 HA LYS A 72 4.616 1.166 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.252 1.886 8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.840 1.663 7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.493 3.509 5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.807 3.646 6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.157 5.425 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.413 4.401 8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.649 4.873 9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.606 3.187 8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.580 4.280 8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.601 3.789 6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.643 5.422 7.264 1.00 0.00 H new ATOM 1233 N THR A 73 3.910 -1.167 7.509 1.00 0.00 N ATOM 1234 CA THR A 73 4.195 -2.575 7.857 1.00 0.00 C ATOM 1235 C THR A 73 3.535 -3.580 6.903 1.00 0.00 C ATOM 1236 O THR A 73 4.150 -4.592 6.553 1.00 0.00 O ATOM 1237 CB THR A 73 3.876 -2.856 9.335 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.555 -4.024 9.741 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.393 -3.056 9.647 1.00 0.00 C ATOM 0 H THR A 73 3.102 -0.776 7.994 1.00 0.00 H new ATOM 0 HA THR A 73 5.266 -2.723 7.723 1.00 0.00 H new ATOM 0 HB THR A 73 4.199 -1.965 9.874 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.356 -4.207 10.683 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.268 -3.248 10.713 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.839 -2.158 9.373 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.013 -3.905 9.078 1.00 0.00 H new ATOM 1247 N TYR A 74 2.325 -3.302 6.406 1.00 0.00 N ATOM 1248 CA TYR A 74 1.609 -4.188 5.479 1.00 0.00 C ATOM 1249 C TYR A 74 2.341 -4.369 4.137 1.00 0.00 C ATOM 1250 O TYR A 74 2.375 -5.483 3.607 1.00 0.00 O ATOM 1251 CB TYR A 74 0.184 -3.665 5.270 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.562 -4.416 4.198 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.963 -5.748 4.417 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -0.748 -3.812 2.942 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.500 -6.501 3.357 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.298 -4.559 1.890 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.633 -5.916 2.079 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.023 -6.668 1.016 1.00 0.00 O ATOM 0 H TYR A 74 1.811 -2.451 6.636 1.00 0.00 H new ATOM 0 HA TYR A 74 1.569 -5.179 5.931 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.366 -3.738 6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.225 -2.608 5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.859 -6.191 5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.469 -2.780 2.788 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.809 -7.523 3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.466 -4.093 0.930 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.063 -6.105 0.215 1.00 0.00 H new ATOM 1268 N ILE A 75 3.008 -3.319 3.638 1.00 0.00 N ATOM 1269 CA ILE A 75 3.879 -3.358 2.448 1.00 0.00 C ATOM 1270 C ILE A 75 4.861 -4.545 2.507 1.00 0.00 C ATOM 1271 O ILE A 75 5.004 -5.283 1.531 1.00 0.00 O ATOM 1272 CB ILE A 75 4.613 -1.996 2.323 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.647 -0.889 1.833 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.819 -2.054 1.371 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.149 0.524 2.169 1.00 0.00 C ATOM 0 H ILE A 75 2.957 -2.392 4.060 1.00 0.00 H new ATOM 0 HA ILE A 75 3.273 -3.514 1.556 1.00 0.00 H new ATOM 0 HB ILE A 75 4.978 -1.762 3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.516 -0.977 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.667 -1.040 2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.293 -1.073 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.538 -2.787 1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.483 -2.343 0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.434 1.261 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.254 0.626 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.116 0.689 1.694 1.00 0.00 H new ATOM 1287 N LYS A 76 5.492 -4.789 3.662 1.00 0.00 N ATOM 1288 CA LYS A 76 6.426 -5.914 3.862 1.00 0.00 C ATOM 1289 C LYS A 76 5.738 -7.201 4.268 1.00 0.00 C ATOM 1290 O LYS A 76 6.168 -8.272 3.845 1.00 0.00 O ATOM 1291 CB LYS A 76 7.463 -5.530 4.930 1.00 0.00 C ATOM 1292 CG LYS A 76 8.434 -4.490 4.372 1.00 0.00 C ATOM 1293 CD LYS A 76 9.396 -3.921 5.427 1.00 0.00 C ATOM 1294 CE LYS A 76 8.666 -3.037 6.450 1.00 0.00 C ATOM 1295 NZ LYS A 76 9.614 -2.428 7.419 1.00 0.00 N ATOM 0 H LYS A 76 5.371 -4.210 4.493 1.00 0.00 H new ATOM 0 HA LYS A 76 6.905 -6.103 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.959 -5.132 5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.012 -6.416 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.015 -4.942 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.864 -3.671 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.893 -4.741 5.945 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.173 -3.338 4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.121 -2.250 5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.928 -3.633 6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.088 -1.838 8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.116 -3.180 7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.302 -1.839 6.908 1.00 0.00 H new ATOM 1309 N ASN A 77 4.667 -7.123 5.050 1.00 0.00 N ATOM 1310 CA ASN A 77 3.985 -8.333 5.502 1.00 0.00 C ATOM 1311 C ASN A 77 3.307 -9.086 4.338 1.00 0.00 C ATOM 1312 O ASN A 77 3.250 -10.316 4.367 1.00 0.00 O ATOM 1313 CB ASN A 77 3.010 -8.013 6.649 1.00 0.00 C ATOM 1314 CG ASN A 77 3.706 -7.951 7.998 1.00 0.00 C ATOM 1315 OD1 ASN A 77 3.750 -8.921 8.741 1.00 0.00 O ATOM 1316 ND2 ASN A 77 4.291 -6.832 8.352 1.00 0.00 N ATOM 0 H ASN A 77 4.256 -6.250 5.381 1.00 0.00 H new ATOM 0 HA ASN A 77 4.738 -9.015 5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.521 -7.059 6.451 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.228 -8.772 6.681 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.781 -6.773 9.245 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.256 -6.021 7.735 1.00 0.00 H new ATOM 1420 N THR A 84 6.322 -9.971 -5.047 1.00 0.00 N ATOM 1421 CA THR A 84 4.908 -9.998 -4.614 1.00 0.00 C ATOM 1422 C THR A 84 4.474 -11.325 -3.972 1.00 0.00 C ATOM 1423 O THR A 84 3.283 -11.635 -3.901 1.00 0.00 O ATOM 1424 CB THR A 84 3.967 -9.633 -5.779 1.00 0.00 C ATOM 1425 OG1 THR A 84 4.027 -10.617 -6.792 1.00 0.00 O ATOM 1426 CG2 THR A 84 4.362 -8.304 -6.413 1.00 0.00 C ATOM 0 HA THR A 84 4.830 -9.243 -3.832 1.00 0.00 H new ATOM 0 HB THR A 84 2.961 -9.566 -5.364 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.423 -10.371 -7.523 1.00 0.00 H new ATOM 0 HG21 THR A 84 3.680 -8.074 -7.231 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.310 -7.514 -5.664 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.380 -8.373 -6.797 1.00 0.00 H new ATOM 1434 N ASN A 85 5.441 -12.125 -3.503 1.00 0.00 N ATOM 1435 CA ASN A 85 5.253 -13.502 -3.029 1.00 0.00 C ATOM 1436 C ASN A 85 4.735 -14.463 -4.133 1.00 0.00 C ATOM 1437 O ASN A 85 3.915 -15.347 -3.880 1.00 0.00 O ATOM 1438 CB ASN A 85 4.480 -13.494 -1.688 1.00 0.00 C ATOM 1439 CG ASN A 85 4.791 -14.691 -0.801 1.00 0.00 C ATOM 1440 OD1 ASN A 85 5.430 -14.579 0.235 1.00 0.00 O ATOM 1441 ND2 ASN A 85 4.352 -15.870 -1.172 1.00 0.00 N ATOM 0 H ASN A 85 6.412 -11.819 -3.441 1.00 0.00 H new ATOM 0 HA ASN A 85 6.221 -13.947 -2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.718 -12.579 -1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.410 -13.473 -1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 85 4.544 -16.690 -0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 85 3.818 -15.967 -2.036 1.00 0.00 H new ATOM 1448 N ASN A 86 5.228 -14.298 -5.368 1.00 0.00 N ATOM 1449 CA ASN A 86 4.925 -15.170 -6.521 1.00 0.00 C ATOM 1450 C ASN A 86 5.928 -16.332 -6.753 1.00 0.00 C ATOM 1451 O ASN A 86 5.712 -17.178 -7.623 1.00 0.00 O ATOM 1452 CB ASN A 86 4.722 -14.305 -7.778 1.00 0.00 C ATOM 1453 CG ASN A 86 5.986 -13.586 -8.209 1.00 0.00 C ATOM 1454 OD1 ASN A 86 6.927 -14.170 -8.722 1.00 0.00 O ATOM 1455 ND2 ASN A 86 6.064 -12.298 -7.982 1.00 0.00 N ATOM 0 H ASN A 86 5.865 -13.537 -5.603 1.00 0.00 H new ATOM 0 HA ASN A 86 3.998 -15.691 -6.282 1.00 0.00 H new ATOM 0 HB2 ASN A 86 4.372 -14.936 -8.595 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.940 -13.571 -7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.909 -11.786 -8.234 1.00 0.00 H new ATOM 0 HD22 ASN A 86 5.279 -11.807 -7.553 1.00 0.00 H new ATOM 1462 N PHE A 87 6.996 -16.427 -5.954 1.00 0.00 N ATOM 1463 CA PHE A 87 8.101 -17.400 -6.079 1.00 0.00 C ATOM 1464 C PHE A 87 7.746 -18.861 -5.689 1.00 0.00 C ATOM 1465 O PHE A 87 8.627 -19.697 -5.480 1.00 0.00 O ATOM 1466 CB PHE A 87 9.312 -16.851 -5.303 1.00 0.00 C ATOM 1467 CG PHE A 87 9.053 -16.593 -3.826 1.00 0.00 C ATOM 1468 CD1 PHE A 87 9.049 -17.661 -2.909 1.00 0.00 C ATOM 1469 CD2 PHE A 87 8.793 -15.287 -3.370 1.00 0.00 C ATOM 1470 CE1 PHE A 87 8.756 -17.432 -1.554 1.00 0.00 C ATOM 1471 CE2 PHE A 87 8.510 -15.060 -2.008 1.00 0.00 C ATOM 1472 CZ PHE A 87 8.483 -16.131 -1.102 1.00 0.00 C ATOM 0 H PHE A 87 7.125 -15.799 -5.161 1.00 0.00 H new ATOM 0 HA PHE A 87 8.340 -17.494 -7.138 1.00 0.00 H new ATOM 0 HB2 PHE A 87 10.137 -17.557 -5.396 1.00 0.00 H new ATOM 0 HB3 PHE A 87 9.635 -15.920 -5.770 1.00 0.00 H new ATOM 0 HD1 PHE A 87 9.272 -18.662 -3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 87 8.810 -14.459 -4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 87 8.741 -18.258 -0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.313 -14.057 -1.660 1.00 0.00 H new ATOM 0 HZ PHE A 87 8.253 -15.955 -0.061 1.00 0.00 H new ATOM 1482 N LYS A 88 6.449 -19.183 -5.605 1.00 0.00 N ATOM 1483 CA LYS A 88 5.880 -20.506 -5.265 1.00 0.00 C ATOM 1484 C LYS A 88 5.781 -21.460 -6.463 1.00 0.00 C ATOM 1485 O LYS A 88 5.429 -22.630 -6.307 1.00 0.00 O ATOM 1486 CB LYS A 88 4.516 -20.288 -4.589 1.00 0.00 C ATOM 1487 CG LYS A 88 3.476 -19.584 -5.489 1.00 0.00 C ATOM 1488 CD LYS A 88 2.672 -18.539 -4.701 1.00 0.00 C ATOM 1489 CE LYS A 88 1.769 -17.689 -5.606 1.00 0.00 C ATOM 1490 NZ LYS A 88 0.583 -18.446 -6.089 1.00 0.00 N ATOM 0 H LYS A 88 5.721 -18.491 -5.782 1.00 0.00 H new ATOM 0 HA LYS A 88 6.563 -21.005 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.118 -21.254 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.660 -19.696 -3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.983 -19.102 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.797 -20.325 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.060 -19.044 -3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.359 -17.886 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.436 -16.807 -5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.345 -17.335 -6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.003 -17.832 -6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.898 -19.274 -6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.018 -18.762 -5.275 1.00 0.00 H new ATOM 1504 N THR A 89 6.094 -20.937 -7.647 1.00 0.00 N ATOM 1505 CA THR A 89 5.984 -21.588 -8.953 1.00 0.00 C ATOM 1506 C THR A 89 7.216 -21.267 -9.807 1.00 0.00 C ATOM 1507 O THR A 89 7.847 -22.164 -10.364 1.00 0.00 O ATOM 1508 CB THR A 89 4.704 -21.089 -9.644 1.00 0.00 C ATOM 1509 OG1 THR A 89 3.568 -21.322 -8.834 1.00 0.00 O ATOM 1510 CG2 THR A 89 4.468 -21.802 -10.963 1.00 0.00 C ATOM 0 H THR A 89 6.454 -19.986 -7.726 1.00 0.00 H new ATOM 0 HA THR A 89 5.933 -22.669 -8.827 1.00 0.00 H new ATOM 0 HB THR A 89 4.845 -20.022 -9.814 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.766 -20.995 -9.293 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.555 -21.424 -11.423 1.00 0.00 H new ATOM 0 HG22 THR A 89 5.311 -21.622 -11.630 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.368 -22.873 -10.785 1.00 0.00 H new ATOM 1518 N ILE A 90 7.600 -19.988 -9.873 1.00 0.00 N ATOM 1519 CA ILE A 90 8.783 -19.503 -10.603 1.00 0.00 C ATOM 1520 C ILE A 90 10.060 -19.819 -9.793 1.00 0.00 C ATOM 1521 O ILE A 90 9.999 -19.979 -8.572 1.00 0.00 O ATOM 1522 CB ILE A 90 8.632 -17.995 -10.958 1.00 0.00 C ATOM 1523 CG1 ILE A 90 7.189 -17.658 -11.421 1.00 0.00 C ATOM 1524 CG2 ILE A 90 9.632 -17.591 -12.063 1.00 0.00 C ATOM 1525 CD1 ILE A 90 6.962 -16.209 -11.875 1.00 0.00 C ATOM 0 H ILE A 90 7.085 -19.239 -9.409 1.00 0.00 H new ATOM 0 HA ILE A 90 8.872 -20.026 -11.555 1.00 0.00 H new ATOM 0 HB ILE A 90 8.845 -17.429 -10.051 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.925 -18.323 -12.243 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.503 -17.875 -10.602 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.509 -16.533 -12.296 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.650 -17.771 -11.716 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.444 -18.184 -12.958 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.923 -16.081 -12.177 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.187 -15.530 -11.052 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.615 -15.985 -12.718 1.00 0.00 H new ATOM 1537 N LYS A 91 11.217 -19.914 -10.464 1.00 0.00 N ATOM 1538 CA LYS A 91 12.568 -20.173 -9.902 1.00 0.00 C ATOM 1539 C LYS A 91 12.811 -21.569 -9.301 1.00 0.00 C ATOM 1540 O LYS A 91 13.952 -21.874 -8.951 1.00 0.00 O ATOM 1541 CB LYS A 91 12.990 -19.050 -8.916 1.00 0.00 C ATOM 1542 CG LYS A 91 12.896 -17.616 -9.465 1.00 0.00 C ATOM 1543 CD LYS A 91 13.974 -17.305 -10.520 1.00 0.00 C ATOM 1544 CE LYS A 91 13.422 -16.406 -11.633 1.00 0.00 C ATOM 1545 NZ LYS A 91 14.502 -15.931 -12.538 1.00 0.00 N ATOM 0 H LYS A 91 11.246 -19.807 -11.478 1.00 0.00 H new ATOM 0 HA LYS A 91 13.217 -20.160 -10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.367 -19.120 -8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.018 -19.233 -8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.910 -17.465 -9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.988 -16.910 -8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.823 -16.816 -10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.343 -18.236 -10.951 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.678 -16.955 -12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.914 -15.549 -11.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.093 -15.326 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.199 -15.386 -11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.970 -16.748 -12.978 1.00 0.00 H new ATOM 1559 N MET A 92 11.801 -22.443 -9.225 1.00 0.00 N ATOM 1560 CA MET A 92 11.956 -23.814 -8.705 1.00 0.00 C ATOM 1561 C MET A 92 12.415 -24.802 -9.789 1.00 0.00 C ATOM 1562 O MET A 92 13.373 -25.550 -9.592 1.00 0.00 O ATOM 1563 CB MET A 92 10.648 -24.306 -8.065 1.00 0.00 C ATOM 1564 CG MET A 92 10.150 -23.399 -6.932 1.00 0.00 C ATOM 1565 SD MET A 92 8.895 -24.146 -5.850 1.00 0.00 S ATOM 1566 CE MET A 92 7.710 -24.778 -7.073 1.00 0.00 C ATOM 0 H MET A 92 10.850 -22.223 -9.522 1.00 0.00 H new ATOM 0 HA MET A 92 12.736 -23.775 -7.944 1.00 0.00 H new ATOM 0 HB2 MET A 92 9.878 -24.372 -8.833 1.00 0.00 H new ATOM 0 HB3 MET A 92 10.798 -25.313 -7.676 1.00 0.00 H new ATOM 0 HG2 MET A 92 11.003 -23.101 -6.323 1.00 0.00 H new ATOM 0 HG3 MET A 92 9.737 -22.490 -7.369 1.00 0.00 H new ATOM 0 HE1 MET A 92 6.754 -24.971 -6.587 1.00 0.00 H new ATOM 0 HE2 MET A 92 7.573 -24.039 -7.863 1.00 0.00 H new ATOM 0 HE3 MET A 92 8.091 -25.704 -7.504 1.00 0.00 H new ATOM 1576 N PHE A 93 11.744 -24.788 -10.945 1.00 0.00 N ATOM 1577 CA PHE A 93 11.969 -25.732 -12.054 1.00 0.00 C ATOM 1578 C PHE A 93 13.060 -25.269 -13.035 1.00 0.00 C ATOM 1579 O PHE A 93 13.605 -26.065 -13.801 1.00 0.00 O ATOM 1580 CB PHE A 93 10.646 -25.934 -12.808 1.00 0.00 C ATOM 1581 CG PHE A 93 9.439 -26.168 -11.922 1.00 0.00 C ATOM 1582 CD1 PHE A 93 9.239 -27.420 -11.307 1.00 0.00 C ATOM 1583 CD2 PHE A 93 8.531 -25.119 -11.690 1.00 0.00 C ATOM 1584 CE1 PHE A 93 8.126 -27.624 -10.472 1.00 0.00 C ATOM 1585 CE2 PHE A 93 7.413 -25.329 -10.862 1.00 0.00 C ATOM 1586 CZ PHE A 93 7.210 -26.580 -10.254 1.00 0.00 C ATOM 0 H PHE A 93 11.012 -24.106 -11.144 1.00 0.00 H new ATOM 0 HA PHE A 93 12.321 -26.668 -11.620 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.460 -25.057 -13.428 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.754 -26.784 -13.482 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.941 -28.223 -11.477 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.692 -24.154 -12.147 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.975 -28.583 -9.998 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.709 -24.527 -10.693 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.351 -26.739 -9.620 1.00 0.00 H new ATOM 1596 N GLU A 94 13.369 -23.970 -13.018 1.00 0.00 N ATOM 1597 CA GLU A 94 14.254 -23.277 -13.963 1.00 0.00 C ATOM 1598 C GLU A 94 15.694 -23.099 -13.434 1.00 0.00 C ATOM 1599 O GLU A 94 16.484 -22.331 -13.986 1.00 0.00 O ATOM 1600 CB GLU A 94 13.595 -21.944 -14.369 1.00 0.00 C ATOM 1601 CG GLU A 94 12.263 -22.128 -15.107 1.00 0.00 C ATOM 1602 CD GLU A 94 11.779 -20.799 -15.715 1.00 0.00 C ATOM 1603 OE1 GLU A 94 11.920 -20.604 -16.948 1.00 0.00 O ATOM 1604 OE2 GLU A 94 11.244 -19.946 -14.967 1.00 0.00 O ATOM 0 H GLU A 94 12.991 -23.340 -12.310 1.00 0.00 H new ATOM 0 HA GLU A 94 14.374 -23.900 -14.849 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.428 -21.342 -13.476 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.282 -21.386 -15.006 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.380 -22.871 -15.896 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.511 -22.511 -14.417 1.00 0.00 H new