USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 ASN : amide:sc= 0.747 K(o=1.9,f=-3) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 159:sc= 1.16 (180deg=0) USER MOD Set 2.1: A 56 ASN : amide:sc= 0.113 K(o=0.11,f=-3.4!) USER MOD Set 2.2: 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= 0.508 K(o=0.51,f=-8.2!) USER MOD Single : A 40 LYS NZ :NH3+ -106:sc= 1.17 (180deg=-0.0291) USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.27) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0658 K(o=0.066,f=-1) USER MOD Single : A 54 ASN : amide:sc= 0.849 K(o=0.85,f=0) USER MOD Single : A 61 SER OG : rot -16:sc= 0.33 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.362 X(o=0.36,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+ -162:sc= 1.24 (180deg=1.17) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc=-0.00238 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 84 THR OG1 : rot 29:sc= 0.421 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=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 -168:sc= 0 (180deg=-0.228) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -9.022 -6.024 3.361 1.00 0.00 N ATOM 624 CA LEU A 35 -8.940 -5.760 1.929 1.00 0.00 C ATOM 625 C LEU A 35 -9.965 -6.640 1.199 1.00 0.00 C ATOM 626 O LEU A 35 -10.165 -7.808 1.540 1.00 0.00 O ATOM 627 CB LEU A 35 -7.522 -6.043 1.381 1.00 0.00 C ATOM 628 CG LEU A 35 -6.458 -4.974 1.715 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.631 -5.300 2.961 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.473 -4.853 0.550 1.00 0.00 C ATOM 0 HA LEU A 35 -9.157 -4.706 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.184 -7.002 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.583 -6.145 0.297 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.011 -4.052 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.905 -4.506 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.291 -5.382 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.107 -6.244 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.722 -4.099 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.984 -5.813 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.011 -4.561 -0.352 1.00 0.00 H new ATOM 642 N SER A 36 -10.574 -6.068 0.167 1.00 0.00 N ATOM 643 CA SER A 36 -11.530 -6.708 -0.746 1.00 0.00 C ATOM 644 C SER A 36 -11.002 -6.764 -2.168 1.00 0.00 C ATOM 645 O SER A 36 -10.593 -7.825 -2.647 1.00 0.00 O ATOM 646 CB SER A 36 -12.915 -6.057 -0.626 1.00 0.00 C ATOM 647 OG SER A 36 -13.836 -6.675 -1.511 1.00 0.00 O ATOM 0 H SER A 36 -10.409 -5.091 -0.074 1.00 0.00 H new ATOM 0 HA SER A 36 -11.652 -7.749 -0.446 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.275 -6.142 0.399 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.843 -4.993 -0.852 1.00 0.00 H new ATOM 0 HG SER A 36 -14.714 -6.249 -1.420 1.00 0.00 H new ATOM 653 N GLU A 37 -10.961 -5.623 -2.844 1.00 0.00 N ATOM 654 CA GLU A 37 -10.637 -5.553 -4.265 1.00 0.00 C ATOM 655 C GLU A 37 -10.206 -4.144 -4.663 1.00 0.00 C ATOM 656 O GLU A 37 -9.151 -3.949 -5.263 1.00 0.00 O ATOM 657 CB GLU A 37 -11.880 -6.001 -5.058 1.00 0.00 C ATOM 658 CG GLU A 37 -11.437 -6.925 -6.186 1.00 0.00 C ATOM 659 CD GLU A 37 -12.616 -7.309 -7.101 1.00 0.00 C ATOM 660 OE1 GLU A 37 -12.902 -6.563 -8.070 1.00 0.00 O ATOM 661 OE2 GLU A 37 -13.255 -8.365 -6.870 1.00 0.00 O ATOM 0 H GLU A 37 -11.152 -4.715 -2.421 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.797 -6.211 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.581 -6.516 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.402 -5.134 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.663 -6.435 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.994 -7.827 -5.765 1.00 0.00 H new ATOM 668 N GLU A 38 -10.962 -3.145 -4.210 1.00 0.00 N ATOM 669 CA GLU A 38 -10.625 -1.728 -4.392 1.00 0.00 C ATOM 670 C GLU A 38 -9.318 -1.377 -3.666 1.00 0.00 C ATOM 671 O GLU A 38 -8.545 -0.549 -4.140 1.00 0.00 O ATOM 672 CB GLU A 38 -11.771 -0.839 -3.877 1.00 0.00 C ATOM 673 CG GLU A 38 -13.114 -1.052 -4.595 1.00 0.00 C ATOM 674 CD GLU A 38 -13.038 -0.737 -6.102 1.00 0.00 C ATOM 675 OE1 GLU A 38 -13.070 -1.684 -6.925 1.00 0.00 O ATOM 676 OE2 GLU A 38 -12.950 0.457 -6.474 1.00 0.00 O ATOM 0 H GLU A 38 -11.834 -3.294 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.484 -1.546 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.909 -1.026 -2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.479 0.206 -3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.434 -2.085 -4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.873 -0.420 -4.133 1.00 0.00 H new ATOM 683 N GLN A 39 -9.025 -2.063 -2.556 1.00 0.00 N ATOM 684 CA GLN A 39 -7.831 -1.840 -1.736 1.00 0.00 C ATOM 685 C GLN A 39 -6.548 -2.279 -2.462 1.00 0.00 C ATOM 686 O GLN A 39 -5.520 -1.605 -2.390 1.00 0.00 O ATOM 687 CB GLN A 39 -8.011 -2.561 -0.392 1.00 0.00 C ATOM 688 CG GLN A 39 -9.154 -1.986 0.466 1.00 0.00 C ATOM 689 CD GLN A 39 -10.557 -2.347 -0.010 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.789 -3.338 -0.693 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.538 -1.536 0.307 1.00 0.00 N ATOM 0 H GLN A 39 -9.625 -2.805 -2.195 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.716 -0.772 -1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.204 -3.618 -0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.079 -2.501 0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.032 -2.337 1.491 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.062 -0.900 0.488 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.353 -0.709 0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.486 -1.732 -0.015 1.00 0.00 H new ATOM 700 N LYS A 40 -6.622 -3.355 -3.254 1.00 0.00 N ATOM 701 CA LYS A 40 -5.544 -3.772 -4.174 1.00 0.00 C ATOM 702 C LYS A 40 -5.398 -2.822 -5.357 1.00 0.00 C ATOM 703 O LYS A 40 -4.274 -2.499 -5.740 1.00 0.00 O ATOM 704 CB LYS A 40 -5.811 -5.199 -4.665 1.00 0.00 C ATOM 705 CG LYS A 40 -5.553 -6.212 -3.544 1.00 0.00 C ATOM 706 CD LYS A 40 -6.432 -7.467 -3.674 1.00 0.00 C ATOM 707 CE LYS A 40 -7.187 -7.682 -2.358 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.007 -8.921 -2.379 1.00 0.00 N ATOM 0 H LYS A 40 -7.436 -3.969 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.604 -3.742 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.842 -5.284 -5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.170 -5.422 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.503 -6.504 -3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.740 -5.739 -2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.136 -7.350 -4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.816 -8.337 -3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.473 -7.734 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.832 -6.824 -2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.012 -8.671 -2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.722 -9.512 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.861 -9.449 -1.495 1.00 0.00 H new ATOM 722 N LYS A 41 -6.508 -2.275 -5.856 1.00 0.00 N ATOM 723 CA LYS A 41 -6.480 -1.185 -6.861 1.00 0.00 C ATOM 724 C LYS A 41 -5.818 0.116 -6.368 1.00 0.00 C ATOM 725 O LYS A 41 -5.580 1.018 -7.170 1.00 0.00 O ATOM 726 CB LYS A 41 -7.877 -0.894 -7.441 1.00 0.00 C ATOM 727 CG LYS A 41 -8.516 -2.089 -8.160 1.00 0.00 C ATOM 728 CD LYS A 41 -9.935 -1.728 -8.616 1.00 0.00 C ATOM 729 CE LYS A 41 -10.677 -2.964 -9.133 1.00 0.00 C ATOM 730 NZ LYS A 41 -12.116 -2.669 -9.345 1.00 0.00 N ATOM 0 H LYS A 41 -7.448 -2.564 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.843 -1.568 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.535 -0.575 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.803 -0.060 -8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.910 -2.373 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.547 -2.951 -7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.487 -1.289 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.888 -0.973 -9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.228 -3.297 -10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.571 -3.781 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.601 -3.526 -9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.542 -2.357 -8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.215 -1.916 -10.056 1.00 0.00 H new ATOM 744 N ILE A 42 -5.480 0.200 -5.078 1.00 0.00 N ATOM 745 CA ILE A 42 -4.664 1.262 -4.476 1.00 0.00 C ATOM 746 C ILE A 42 -3.235 0.766 -4.221 1.00 0.00 C ATOM 747 O ILE A 42 -2.286 1.370 -4.718 1.00 0.00 O ATOM 748 CB ILE A 42 -5.366 1.778 -3.202 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.700 2.465 -3.580 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.493 2.735 -2.371 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.777 2.182 -2.537 1.00 0.00 C ATOM 0 H ILE A 42 -5.779 -0.497 -4.396 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.571 2.103 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.556 0.909 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.547 3.541 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.032 2.110 -4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.047 3.060 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.584 2.220 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.229 3.603 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.704 2.677 -2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.945 1.107 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.453 2.560 -1.567 1.00 0.00 H new ATOM 763 N VAL A 43 -3.063 -0.339 -3.481 1.00 0.00 N ATOM 764 CA VAL A 43 -1.731 -0.802 -3.044 1.00 0.00 C ATOM 765 C VAL A 43 -1.017 -1.635 -4.107 1.00 0.00 C ATOM 766 O VAL A 43 0.087 -1.280 -4.512 1.00 0.00 O ATOM 767 CB VAL A 43 -1.779 -1.550 -1.697 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.350 -1.887 -1.245 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.456 -0.697 -0.618 1.00 0.00 C ATOM 0 H VAL A 43 -3.831 -0.933 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.143 0.103 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.357 -2.464 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.385 -2.416 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.129 -2.518 -1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.221 -0.966 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.477 -1.248 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.898 0.229 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.476 -0.465 -0.925 1.00 0.00 H new ATOM 779 N ALA A 44 -1.633 -2.710 -4.605 1.00 0.00 N ATOM 780 CA ALA A 44 -1.040 -3.565 -5.639 1.00 0.00 C ATOM 781 C ALA A 44 -0.855 -2.820 -6.974 1.00 0.00 C ATOM 782 O ALA A 44 0.109 -3.067 -7.699 1.00 0.00 O ATOM 783 CB ALA A 44 -1.902 -4.817 -5.810 1.00 0.00 C ATOM 0 H ALA A 44 -2.559 -3.013 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.041 -3.858 -5.316 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.466 -5.457 -6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.945 -5.361 -4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.909 -4.527 -6.108 1.00 0.00 H new ATOM 789 N ASP A 45 -1.719 -1.845 -7.261 1.00 0.00 N ATOM 790 CA ASP A 45 -1.515 -0.885 -8.354 1.00 0.00 C ATOM 791 C ASP A 45 -0.211 -0.077 -8.192 1.00 0.00 C ATOM 792 O ASP A 45 0.512 0.118 -9.167 1.00 0.00 O ATOM 793 CB ASP A 45 -2.733 0.040 -8.433 1.00 0.00 C ATOM 794 CG ASP A 45 -2.646 0.994 -9.636 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.339 2.195 -9.442 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.895 0.544 -10.781 1.00 0.00 O ATOM 0 H ASP A 45 -2.584 -1.696 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.411 -1.440 -9.287 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.641 -0.559 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.810 0.620 -7.513 1.00 0.00 H new ATOM 801 N TYR A 46 0.150 0.313 -6.963 1.00 0.00 N ATOM 802 CA TYR A 46 1.425 0.973 -6.645 1.00 0.00 C ATOM 803 C TYR A 46 2.622 0.011 -6.808 1.00 0.00 C ATOM 804 O TYR A 46 3.678 0.393 -7.320 1.00 0.00 O ATOM 805 CB TYR A 46 1.349 1.553 -5.214 1.00 0.00 C ATOM 806 CG TYR A 46 2.059 2.877 -4.972 1.00 0.00 C ATOM 807 CD1 TYR A 46 3.225 3.215 -5.677 1.00 0.00 C ATOM 808 CD2 TYR A 46 1.553 3.771 -4.010 1.00 0.00 C ATOM 809 CE1 TYR A 46 3.862 4.452 -5.474 1.00 0.00 C ATOM 810 CE2 TYR A 46 2.210 4.992 -3.752 1.00 0.00 C ATOM 811 CZ TYR A 46 3.361 5.343 -4.496 1.00 0.00 C ATOM 812 OH TYR A 46 4.007 6.509 -4.218 1.00 0.00 O ATOM 0 H TYR A 46 -0.446 0.177 -6.146 1.00 0.00 H new ATOM 0 HA TYR A 46 1.590 1.787 -7.351 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.298 1.679 -4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.762 0.815 -4.526 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.639 2.514 -6.386 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.655 3.520 -3.465 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.728 4.720 -6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.835 5.657 -2.988 1.00 0.00 H new ATOM 0 HH TYR A 46 3.519 6.995 -3.521 1.00 0.00 H new ATOM 822 N ILE A 47 2.453 -1.269 -6.458 1.00 0.00 N ATOM 823 CA ILE A 47 3.483 -2.313 -6.639 1.00 0.00 C ATOM 824 C ILE A 47 3.838 -2.507 -8.128 1.00 0.00 C ATOM 825 O ILE A 47 4.981 -2.826 -8.464 1.00 0.00 O ATOM 826 CB ILE A 47 3.037 -3.617 -5.926 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.756 -3.413 -4.415 1.00 0.00 C ATOM 828 CG2 ILE A 47 4.018 -4.790 -6.075 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.690 -2.440 -3.682 1.00 0.00 C ATOM 0 H ILE A 47 1.592 -1.618 -6.037 1.00 0.00 H new ATOM 0 HA ILE A 47 4.412 -1.993 -6.167 1.00 0.00 H new ATOM 0 HB ILE A 47 2.114 -3.875 -6.444 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.732 -3.058 -4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.814 -4.383 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.628 -5.660 -5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.139 -5.031 -7.131 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.984 -4.512 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.399 -2.377 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.717 -2.798 -3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.618 -1.453 -4.139 1.00 0.00 H new ATOM 841 N SER A 48 2.906 -2.203 -9.037 1.00 0.00 N ATOM 842 CA SER A 48 3.142 -2.169 -10.488 1.00 0.00 C ATOM 843 C SER A 48 3.805 -0.876 -11.010 1.00 0.00 C ATOM 844 O SER A 48 4.199 -0.845 -12.177 1.00 0.00 O ATOM 845 CB SER A 48 1.834 -2.431 -11.247 1.00 0.00 C ATOM 846 OG SER A 48 1.334 -3.728 -10.949 1.00 0.00 O ATOM 0 H SER A 48 1.947 -1.969 -8.782 1.00 0.00 H new ATOM 0 HA SER A 48 3.863 -2.964 -10.678 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.093 -1.679 -10.976 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.005 -2.339 -12.320 1.00 0.00 H new ATOM 0 HG SER A 48 0.499 -3.877 -11.440 1.00 0.00 H new ATOM 852 N GLU A 49 3.965 0.183 -10.199 1.00 0.00 N ATOM 853 CA GLU A 49 4.553 1.463 -10.633 1.00 0.00 C ATOM 854 C GLU A 49 6.031 1.584 -10.250 1.00 0.00 C ATOM 855 O GLU A 49 6.880 1.798 -11.117 1.00 0.00 O ATOM 856 CB GLU A 49 3.786 2.649 -10.024 1.00 0.00 C ATOM 857 CG GLU A 49 2.351 2.786 -10.526 1.00 0.00 C ATOM 858 CD GLU A 49 2.290 3.361 -11.956 1.00 0.00 C ATOM 859 OE1 GLU A 49 2.260 2.577 -12.936 1.00 0.00 O ATOM 860 OE2 GLU A 49 2.272 4.606 -12.113 1.00 0.00 O ATOM 0 H GLU A 49 3.688 0.176 -9.217 1.00 0.00 H new ATOM 0 HA GLU A 49 4.475 1.484 -11.720 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.772 2.540 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.326 3.569 -10.245 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.866 1.810 -10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.791 3.433 -9.851 1.00 0.00 H new ATOM 867 N VAL A 50 6.330 1.475 -8.948 1.00 0.00 N ATOM 868 CA VAL A 50 7.630 1.896 -8.380 1.00 0.00 C ATOM 869 C VAL A 50 8.445 0.767 -7.737 1.00 0.00 C ATOM 870 O VAL A 50 9.649 0.923 -7.538 1.00 0.00 O ATOM 871 CB VAL A 50 7.462 3.088 -7.416 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.667 4.238 -8.045 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.826 2.677 -6.089 1.00 0.00 C ATOM 0 H VAL A 50 5.684 1.095 -8.256 1.00 0.00 H new ATOM 0 HA VAL A 50 8.222 2.217 -9.237 1.00 0.00 H new ATOM 0 HB VAL A 50 8.472 3.445 -7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.576 5.053 -7.327 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.185 4.595 -8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.673 3.885 -8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.729 3.551 -5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.839 2.252 -6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.455 1.934 -5.599 1.00 0.00 H new ATOM 883 N GLY A 51 7.818 -0.362 -7.401 1.00 0.00 N ATOM 884 CA GLY A 51 8.460 -1.584 -6.915 1.00 0.00 C ATOM 885 C GLY A 51 7.732 -2.116 -5.686 1.00 0.00 C ATOM 886 O GLY A 51 6.767 -2.863 -5.800 1.00 0.00 O ATOM 0 H GLY A 51 6.804 -0.453 -7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.460 -2.339 -7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.502 -1.381 -6.668 1.00 0.00 H new ATOM 890 N LEU A 52 8.203 -1.696 -4.513 1.00 0.00 N ATOM 891 CA LEU A 52 7.600 -1.952 -3.188 1.00 0.00 C ATOM 892 C LEU A 52 8.196 -1.073 -2.078 1.00 0.00 C ATOM 893 O LEU A 52 7.516 -0.735 -1.114 1.00 0.00 O ATOM 894 CB LEU A 52 7.730 -3.448 -2.817 1.00 0.00 C ATOM 895 CG LEU A 52 9.165 -4.011 -2.696 1.00 0.00 C ATOM 896 CD1 LEU A 52 9.601 -4.125 -1.232 1.00 0.00 C ATOM 897 CD2 LEU A 52 9.260 -5.406 -3.316 1.00 0.00 C ATOM 0 H LEU A 52 9.056 -1.141 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 52 6.546 -1.686 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.220 -3.609 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.197 -4.032 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 52 9.816 -3.314 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.614 -4.524 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.577 -3.139 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.923 -4.793 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.279 -5.779 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.575 -6.080 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.993 -5.354 -4.371 1.00 0.00 H new ATOM 909 N ASN A 53 9.464 -0.691 -2.231 1.00 0.00 N ATOM 910 CA ASN A 53 10.242 0.085 -1.257 1.00 0.00 C ATOM 911 C ASN A 53 10.330 1.593 -1.577 1.00 0.00 C ATOM 912 O ASN A 53 10.727 2.379 -0.718 1.00 0.00 O ATOM 913 CB ASN A 53 11.631 -0.567 -1.131 1.00 0.00 C ATOM 914 CG ASN A 53 12.474 -0.373 -2.380 1.00 0.00 C ATOM 915 OD1 ASN A 53 12.228 -0.973 -3.418 1.00 0.00 O ATOM 916 ND2 ASN A 53 13.446 0.507 -2.345 1.00 0.00 N ATOM 0 H ASN A 53 10.000 -0.921 -3.068 1.00 0.00 H new ATOM 0 HA ASN A 53 9.721 0.055 -0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.153 -0.142 -0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.513 -1.633 -0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.997 0.692 -3.183 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.651 1.007 -1.480 1.00 0.00 H new ATOM 923 N ASN A 54 9.977 1.996 -2.806 1.00 0.00 N ATOM 924 CA ASN A 54 10.106 3.378 -3.292 1.00 0.00 C ATOM 925 C ASN A 54 8.820 4.215 -3.111 1.00 0.00 C ATOM 926 O ASN A 54 8.855 5.443 -3.216 1.00 0.00 O ATOM 927 CB ASN A 54 10.569 3.347 -4.759 1.00 0.00 C ATOM 928 CG ASN A 54 11.823 2.512 -4.956 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.895 2.817 -4.450 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.718 1.404 -5.654 1.00 0.00 N ATOM 0 H ASN A 54 9.587 1.360 -3.502 1.00 0.00 H new ATOM 0 HA ASN A 54 10.854 3.883 -2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.768 2.947 -5.381 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.757 4.365 -5.099 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.530 0.798 -5.774 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.825 1.150 -6.076 1.00 0.00 H new ATOM 937 N LEU A 55 7.687 3.553 -2.845 1.00 0.00 N ATOM 938 CA LEU A 55 6.376 4.166 -2.597 1.00 0.00 C ATOM 939 C LEU A 55 6.274 4.903 -1.248 1.00 0.00 C ATOM 940 O LEU A 55 7.118 4.742 -0.362 1.00 0.00 O ATOM 941 CB LEU A 55 5.268 3.108 -2.798 1.00 0.00 C ATOM 942 CG LEU A 55 5.408 1.758 -2.082 1.00 0.00 C ATOM 943 CD1 LEU A 55 5.238 1.857 -0.573 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.343 0.802 -2.612 1.00 0.00 C ATOM 0 H LEU A 55 7.657 2.535 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 55 6.237 4.960 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.324 3.553 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.188 2.910 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 55 6.418 1.401 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.349 0.868 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.996 2.525 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.247 2.249 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.435 -0.160 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.354 1.218 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.479 0.665 -3.685 1.00 0.00 H new ATOM 956 N ASN A 56 5.220 5.710 -1.092 1.00 0.00 N ATOM 957 CA ASN A 56 4.926 6.468 0.125 1.00 0.00 C ATOM 958 C ASN A 56 3.706 5.888 0.860 1.00 0.00 C ATOM 959 O ASN A 56 2.580 5.967 0.367 1.00 0.00 O ATOM 960 CB ASN A 56 4.729 7.941 -0.265 1.00 0.00 C ATOM 961 CG ASN A 56 4.447 8.853 0.918 1.00 0.00 C ATOM 962 OD1 ASN A 56 4.463 8.463 2.076 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.164 10.106 0.655 1.00 0.00 N ATOM 0 H ASN A 56 4.530 5.857 -1.829 1.00 0.00 H new ATOM 0 HA ASN A 56 5.758 6.395 0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.622 8.294 -0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.903 8.013 -0.973 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.958 10.753 1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.150 10.434 -0.311 1.00 0.00 H new ATOM 970 N ALA A 57 3.920 5.373 2.072 1.00 0.00 N ATOM 971 CA ALA A 57 2.888 4.784 2.929 1.00 0.00 C ATOM 972 C ALA A 57 1.728 5.749 3.260 1.00 0.00 C ATOM 973 O ALA A 57 0.596 5.305 3.460 1.00 0.00 O ATOM 974 CB ALA A 57 3.587 4.302 4.203 1.00 0.00 C ATOM 0 H ALA A 57 4.846 5.353 2.498 1.00 0.00 H new ATOM 0 HA ALA A 57 2.414 3.960 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.853 3.854 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.343 3.560 3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.063 5.148 4.699 1.00 0.00 H new ATOM 980 N THR A 58 1.981 7.062 3.264 1.00 0.00 N ATOM 981 CA THR A 58 0.955 8.100 3.461 1.00 0.00 C ATOM 982 C THR A 58 -0.055 8.135 2.305 1.00 0.00 C ATOM 983 O THR A 58 -1.255 8.251 2.528 1.00 0.00 O ATOM 984 CB THR A 58 1.629 9.468 3.650 1.00 0.00 C ATOM 985 OG1 THR A 58 2.459 9.431 4.795 1.00 0.00 O ATOM 986 CG2 THR A 58 0.642 10.615 3.846 1.00 0.00 C ATOM 0 H THR A 58 2.918 7.443 3.129 1.00 0.00 H new ATOM 0 HA THR A 58 0.392 7.854 4.361 1.00 0.00 H new ATOM 0 HB THR A 58 2.190 9.653 2.734 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.890 10.303 4.915 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.190 11.549 3.973 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.006 10.690 2.973 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.036 10.426 4.732 1.00 0.00 H new ATOM 994 N GLU A 59 0.388 7.974 1.057 1.00 0.00 N ATOM 995 CA GLU A 59 -0.508 7.909 -0.110 1.00 0.00 C ATOM 996 C GLU A 59 -1.399 6.655 -0.091 1.00 0.00 C ATOM 997 O GLU A 59 -2.585 6.739 -0.425 1.00 0.00 O ATOM 998 CB GLU A 59 0.305 7.949 -1.416 1.00 0.00 C ATOM 999 CG GLU A 59 1.119 9.234 -1.623 1.00 0.00 C ATOM 1000 CD GLU A 59 0.215 10.461 -1.847 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.206 10.707 -3.003 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.075 11.192 -0.869 1.00 0.00 O ATOM 0 H GLU A 59 1.376 7.885 0.822 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.160 8.781 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.985 7.097 -1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.377 7.827 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.753 9.405 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.780 9.110 -2.480 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.865 5.512 0.361 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.650 4.288 0.578 1.00 0.00 C ATOM 1011 C LEU A 60 -2.739 4.518 1.640 1.00 0.00 C ATOM 1012 O LEU A 60 -3.909 4.224 1.401 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.749 3.113 1.019 1.00 0.00 C ATOM 1014 CG LEU A 60 0.078 2.412 -0.072 1.00 0.00 C ATOM 1015 CD1 LEU A 60 1.237 3.247 -0.606 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.695 1.150 0.533 1.00 0.00 C ATOM 0 H LEU A 60 0.124 5.410 0.587 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.120 4.034 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.061 3.482 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.381 2.364 1.497 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.606 2.217 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.770 2.682 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.851 4.170 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.919 3.486 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.287 0.636 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.336 1.424 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.098 0.490 0.884 1.00 0.00 H new ATOM 1028 N SER A 61 -2.375 5.073 2.800 1.00 0.00 N ATOM 1029 CA SER A 61 -3.278 5.259 3.940 1.00 0.00 C ATOM 1030 C SER A 61 -4.352 6.323 3.702 1.00 0.00 C ATOM 1031 O SER A 61 -5.475 6.168 4.186 1.00 0.00 O ATOM 1032 CB SER A 61 -2.466 5.552 5.205 1.00 0.00 C ATOM 1033 OG SER A 61 -1.801 6.793 5.101 1.00 0.00 O ATOM 0 H SER A 61 -1.429 5.411 2.976 1.00 0.00 H new ATOM 0 HA SER A 61 -3.824 4.325 4.072 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.127 5.560 6.072 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.738 4.757 5.367 1.00 0.00 H new ATOM 0 HG SER A 61 -1.789 7.080 4.164 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.059 7.339 2.879 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.013 8.373 2.424 1.00 0.00 C ATOM 1041 C LYS A 62 -6.122 7.811 1.529 1.00 0.00 C ATOM 1042 O LYS A 62 -7.263 8.269 1.613 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.251 9.480 1.668 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.524 10.453 2.612 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.470 11.299 1.874 1.00 0.00 C ATOM 1046 CE LYS A 62 -3.026 12.199 0.759 1.00 0.00 C ATOM 1047 NZ LYS A 62 -3.850 13.319 1.289 1.00 0.00 N ATOM 0 H LYS A 62 -3.123 7.473 2.496 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.495 8.777 3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.525 9.022 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.952 10.038 1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.253 11.113 3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.041 9.890 3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.953 11.925 2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.725 10.630 1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.198 12.605 0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.630 11.598 0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.201 13.896 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.656 12.935 1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.269 13.910 1.918 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.802 6.829 0.675 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.733 6.229 -0.303 1.00 0.00 C ATOM 1063 C ARG A 63 -7.454 4.984 0.223 1.00 0.00 C ATOM 1064 O ARG A 63 -8.650 4.830 -0.022 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.965 5.932 -1.604 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.647 7.181 -2.442 1.00 0.00 C ATOM 1067 CD ARG A 63 -6.895 7.730 -3.151 1.00 0.00 C ATOM 1068 NE ARG A 63 -6.569 8.885 -4.013 1.00 0.00 N ATOM 1069 CZ ARG A 63 -6.698 10.168 -3.725 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -6.399 11.072 -4.614 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -7.122 10.588 -2.566 1.00 0.00 N ATOM 0 H ARG A 63 -4.869 6.418 0.641 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.526 6.951 -0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.032 5.427 -1.355 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.551 5.240 -2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.227 7.953 -1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.887 6.936 -3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.348 6.942 -3.753 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.635 8.028 -2.408 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.201 8.666 -4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.064 10.790 -5.535 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.500 12.062 -4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.369 9.916 -1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.207 11.588 -2.386 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.759 4.125 0.972 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.323 2.922 1.607 1.00 0.00 C ATOM 1087 C LEU A 64 -8.061 3.255 2.924 1.00 0.00 C ATOM 1088 O LEU A 64 -8.949 2.509 3.335 1.00 0.00 O ATOM 1089 CB LEU A 64 -6.175 1.897 1.740 1.00 0.00 C ATOM 1090 CG LEU A 64 -6.564 0.424 1.974 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -5.454 -0.478 1.431 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -6.746 0.035 3.439 1.00 0.00 C ATOM 0 H LEU A 64 -5.764 4.246 1.161 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.107 2.476 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.572 1.946 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.536 2.212 2.565 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.522 0.300 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.722 -1.522 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.328 -0.297 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.521 -0.258 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.018 -1.018 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.814 0.203 3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.536 0.642 3.881 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.764 4.415 3.529 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.355 4.934 4.772 1.00 0.00 C ATOM 1106 C ASN A 65 -7.991 4.072 6.002 1.00 0.00 C ATOM 1107 O ASN A 65 -8.837 3.435 6.638 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.853 5.249 4.572 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.414 6.165 5.650 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.660 7.344 5.434 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.631 5.664 6.844 1.00 0.00 N ATOM 0 H ASN A 65 -7.067 5.051 3.143 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.902 5.895 5.015 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.994 5.715 3.597 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.417 4.317 4.565 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.003 6.257 7.586 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.428 4.682 7.030 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.697 4.081 6.318 1.00 0.00 N ATOM 1119 CA ILE A 66 -6.036 3.440 7.473 1.00 0.00 C ATOM 1120 C ILE A 66 -5.083 4.453 8.142 1.00 0.00 C ATOM 1121 O ILE A 66 -4.972 5.600 7.704 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.285 2.147 7.036 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.427 2.412 5.784 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -6.272 0.989 6.830 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.424 1.329 5.392 1.00 0.00 C ATOM 0 H ILE A 66 -6.023 4.574 5.732 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.790 3.139 8.200 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.605 1.850 7.834 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.098 2.574 4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.879 3.342 5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.727 0.096 6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.800 0.791 7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.991 1.257 6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.886 1.639 4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.716 1.177 6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.954 0.397 5.193 1.00 0.00 H new ATOM 1137 N THR A 67 -4.365 4.036 9.187 1.00 0.00 N ATOM 1138 CA THR A 67 -3.210 4.784 9.721 1.00 0.00 C ATOM 1139 C THR A 67 -1.945 4.505 8.899 1.00 0.00 C ATOM 1140 O THR A 67 -1.831 3.460 8.252 1.00 0.00 O ATOM 1141 CB THR A 67 -3.012 4.529 11.225 1.00 0.00 C ATOM 1142 OG1 THR A 67 -2.029 5.413 11.718 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.570 3.106 11.576 1.00 0.00 C ATOM 0 H THR A 67 -4.563 3.172 9.691 1.00 0.00 H new ATOM 0 HA THR A 67 -3.423 5.848 9.621 1.00 0.00 H new ATOM 0 HB THR A 67 -3.990 4.686 11.680 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.900 5.256 12.677 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.455 3.017 12.656 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.322 2.396 11.231 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.618 2.891 11.091 1.00 0.00 H new ATOM 1151 N VAL A 68 -0.974 5.425 8.922 1.00 0.00 N ATOM 1152 CA VAL A 68 0.289 5.317 8.164 1.00 0.00 C ATOM 1153 C VAL A 68 1.059 4.051 8.547 1.00 0.00 C ATOM 1154 O VAL A 68 1.593 3.354 7.688 1.00 0.00 O ATOM 1155 CB VAL A 68 1.190 6.553 8.384 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.323 6.597 7.351 1.00 0.00 C ATOM 1157 CG2 VAL A 68 0.433 7.887 8.273 1.00 0.00 C ATOM 0 H VAL A 68 -1.039 6.280 9.474 1.00 0.00 H new ATOM 0 HA VAL A 68 0.020 5.264 7.109 1.00 0.00 H new ATOM 0 HB VAL A 68 1.574 6.443 9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.943 7.476 7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.934 5.699 7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.899 6.647 6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.125 8.713 8.438 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.006 7.975 7.279 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.357 7.920 9.023 1.00 0.00 H new ATOM 1167 N ASP A 69 1.065 3.700 9.832 1.00 0.00 N ATOM 1168 CA ASP A 69 1.799 2.543 10.351 1.00 0.00 C ATOM 1169 C ASP A 69 1.214 1.187 9.921 1.00 0.00 C ATOM 1170 O ASP A 69 1.970 0.224 9.761 1.00 0.00 O ATOM 1171 CB ASP A 69 1.921 2.658 11.876 1.00 0.00 C ATOM 1172 CG ASP A 69 2.814 3.836 12.295 1.00 0.00 C ATOM 1173 OD1 ASP A 69 4.024 3.827 11.963 1.00 0.00 O ATOM 1174 OD2 ASP A 69 2.312 4.775 12.958 1.00 0.00 O ATOM 0 H ASP A 69 0.556 4.215 10.551 1.00 0.00 H new ATOM 0 HA ASP A 69 2.793 2.564 9.904 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.929 2.782 12.311 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.331 1.731 12.278 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.095 1.113 9.627 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.694 -0.068 8.982 1.00 0.00 C ATOM 1181 C LYS A 70 -0.184 -0.235 7.559 1.00 0.00 C ATOM 1182 O LYS A 70 0.145 -1.352 7.174 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.237 -0.003 8.996 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.868 -0.810 10.140 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.406 -0.761 10.053 1.00 0.00 C ATOM 1186 CE LYS A 70 -5.091 -1.660 11.094 1.00 0.00 C ATOM 1187 NZ LYS A 70 -5.060 -3.102 10.723 1.00 0.00 N ATOM 0 H LYS A 70 -0.761 1.860 9.827 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.389 -0.939 9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.549 1.038 9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.618 -0.375 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.528 -1.845 10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.539 -0.410 11.099 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.740 0.267 10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.719 -1.066 9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.602 -1.528 12.059 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.127 -1.343 11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.536 -3.660 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.550 -3.238 9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.073 -3.416 10.634 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.039 0.855 6.807 1.00 0.00 N ATOM 1202 CA ALA A 71 0.494 0.803 5.445 1.00 0.00 C ATOM 1203 C ALA A 71 1.978 0.409 5.479 1.00 0.00 C ATOM 1204 O ALA A 71 2.375 -0.543 4.812 1.00 0.00 O ATOM 1205 CB ALA A 71 0.259 2.152 4.753 1.00 0.00 C ATOM 0 H ALA A 71 -0.286 1.794 7.121 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.026 0.041 4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.656 2.114 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.810 2.361 4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.764 2.940 5.311 1.00 0.00 H new ATOM 1211 N LYS A 72 2.772 1.069 6.332 1.00 0.00 N ATOM 1212 CA LYS A 72 4.220 0.841 6.504 1.00 0.00 C ATOM 1213 C LYS A 72 4.558 -0.626 6.789 1.00 0.00 C ATOM 1214 O LYS A 72 5.544 -1.123 6.244 1.00 0.00 O ATOM 1215 CB LYS A 72 4.760 1.726 7.638 1.00 0.00 C ATOM 1216 CG LYS A 72 4.918 3.209 7.271 1.00 0.00 C ATOM 1217 CD LYS A 72 5.139 4.118 8.492 1.00 0.00 C ATOM 1218 CE LYS A 72 6.297 3.662 9.391 1.00 0.00 C ATOM 1219 NZ LYS A 72 6.373 4.476 10.629 1.00 0.00 N ATOM 0 H LYS A 72 2.415 1.803 6.944 1.00 0.00 H new ATOM 0 HA LYS A 72 4.698 1.106 5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.090 1.646 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.728 1.338 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.760 3.319 6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.028 3.541 6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.334 5.134 8.149 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.223 4.151 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.166 2.612 9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.237 3.740 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.312 4.364 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.216 5.477 10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.644 4.158 11.299 1.00 0.00 H new ATOM 1233 N THR A 73 3.749 -1.332 7.591 1.00 0.00 N ATOM 1234 CA THR A 73 3.967 -2.775 7.826 1.00 0.00 C ATOM 1235 C THR A 73 3.334 -3.647 6.741 1.00 0.00 C ATOM 1236 O THR A 73 3.985 -4.563 6.239 1.00 0.00 O ATOM 1237 CB THR A 73 3.573 -3.194 9.254 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.203 -4.419 9.559 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.074 -3.379 9.493 1.00 0.00 C ATOM 0 H THR A 73 2.947 -0.939 8.084 1.00 0.00 H new ATOM 0 HA THR A 73 5.040 -2.951 7.748 1.00 0.00 H new ATOM 0 HB THR A 73 3.892 -2.370 9.892 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.960 -4.695 10.468 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.904 -3.674 10.529 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.555 -2.442 9.293 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.692 -4.154 8.828 1.00 0.00 H new ATOM 1247 N TYR A 74 2.116 -3.334 6.286 1.00 0.00 N ATOM 1248 CA TYR A 74 1.412 -4.112 5.260 1.00 0.00 C ATOM 1249 C TYR A 74 2.169 -4.171 3.920 1.00 0.00 C ATOM 1250 O TYR A 74 2.199 -5.229 3.289 1.00 0.00 O ATOM 1251 CB TYR A 74 0.004 -3.532 5.078 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.770 -4.188 3.960 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -1.265 -5.496 4.118 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -0.918 -3.513 2.736 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.872 -6.152 3.030 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.539 -4.159 1.656 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.983 -5.493 1.785 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.471 -6.154 0.702 1.00 0.00 O ATOM 0 H TYR A 74 1.587 -2.529 6.621 1.00 0.00 H new ATOM 0 HA TYR A 74 1.349 -5.144 5.604 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.551 -3.644 6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.081 -2.463 4.879 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.179 -5.995 5.072 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.555 -2.502 2.627 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.252 -7.156 3.147 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.678 -3.634 0.723 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.480 -5.552 -0.072 1.00 0.00 H new ATOM 1268 N ILE A 75 2.851 -3.083 3.533 1.00 0.00 N ATOM 1269 CA ILE A 75 3.729 -3.004 2.353 1.00 0.00 C ATOM 1270 C ILE A 75 4.690 -4.201 2.290 1.00 0.00 C ATOM 1271 O ILE A 75 4.743 -4.891 1.272 1.00 0.00 O ATOM 1272 CB ILE A 75 4.499 -1.657 2.368 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.584 -0.494 1.918 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.745 -1.686 1.463 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.075 0.877 2.414 1.00 0.00 C ATOM 0 H ILE A 75 2.806 -2.204 4.049 1.00 0.00 H new ATOM 0 HA ILE A 75 3.115 -3.045 1.454 1.00 0.00 H new ATOM 0 HB ILE A 75 4.822 -1.501 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.527 -0.483 0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.574 -0.669 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.250 -0.721 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.425 -2.467 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.444 -1.891 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.394 1.654 2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.105 0.880 3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.074 1.069 2.023 1.00 0.00 H new ATOM 1287 N LYS A 76 5.422 -4.490 3.376 1.00 0.00 N ATOM 1288 CA LYS A 76 6.352 -5.630 3.423 1.00 0.00 C ATOM 1289 C LYS A 76 5.668 -6.938 3.811 1.00 0.00 C ATOM 1290 O LYS A 76 6.033 -7.989 3.295 1.00 0.00 O ATOM 1291 CB LYS A 76 7.579 -5.299 4.295 1.00 0.00 C ATOM 1292 CG LYS A 76 7.315 -5.206 5.807 1.00 0.00 C ATOM 1293 CD LYS A 76 8.599 -4.810 6.554 1.00 0.00 C ATOM 1294 CE LYS A 76 8.419 -4.814 8.080 1.00 0.00 C ATOM 1295 NZ LYS A 76 8.409 -6.190 8.647 1.00 0.00 N ATOM 0 H LYS A 76 5.388 -3.947 4.239 1.00 0.00 H new ATOM 0 HA LYS A 76 6.717 -5.800 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.340 -6.060 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.996 -4.350 3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.533 -4.472 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.952 -6.164 6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.399 -5.499 6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.911 -3.817 6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.224 -4.241 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.485 -4.313 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.285 -6.140 9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.625 -6.732 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.310 -6.662 8.429 1.00 0.00 H new ATOM 1309 N ASN A 77 4.648 -6.896 4.665 1.00 0.00 N ATOM 1310 CA ASN A 77 3.976 -8.101 5.155 1.00 0.00 C ATOM 1311 C ASN A 77 3.190 -8.840 4.050 1.00 0.00 C ATOM 1312 O ASN A 77 3.078 -10.067 4.085 1.00 0.00 O ATOM 1313 CB ASN A 77 3.085 -7.710 6.346 1.00 0.00 C ATOM 1314 CG ASN A 77 2.805 -8.894 7.250 1.00 0.00 C ATOM 1315 OD1 ASN A 77 1.769 -9.539 7.186 1.00 0.00 O ATOM 1316 ND2 ASN A 77 3.740 -9.209 8.119 1.00 0.00 N ATOM 0 H ASN A 77 4.263 -6.028 5.037 1.00 0.00 H new ATOM 0 HA ASN A 77 4.729 -8.817 5.485 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.571 -6.921 6.920 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.143 -7.303 5.978 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.605 -9.999 8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.600 -8.663 8.163 1.00 0.00 H new ATOM 1420 N THR A 84 5.221 -12.233 -4.725 1.00 0.00 N ATOM 1421 CA THR A 84 4.329 -12.918 -3.762 1.00 0.00 C ATOM 1422 C THR A 84 4.705 -14.392 -3.534 1.00 0.00 C ATOM 1423 O THR A 84 3.846 -15.272 -3.460 1.00 0.00 O ATOM 1424 CB THR A 84 2.838 -12.700 -4.113 1.00 0.00 C ATOM 1425 OG1 THR A 84 2.636 -11.394 -4.624 1.00 0.00 O ATOM 1426 CG2 THR A 84 1.928 -12.806 -2.886 1.00 0.00 C ATOM 0 HA THR A 84 4.484 -12.446 -2.792 1.00 0.00 H new ATOM 0 HB THR A 84 2.591 -13.474 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.453 -11.087 -5.070 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.893 -12.645 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 84 2.028 -13.797 -2.443 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.215 -12.051 -2.154 1.00 0.00 H new ATOM 1434 N ASN A 85 6.016 -14.673 -3.488 1.00 0.00 N ATOM 1435 CA ASN A 85 6.621 -16.015 -3.385 1.00 0.00 C ATOM 1436 C ASN A 85 6.235 -17.029 -4.500 1.00 0.00 C ATOM 1437 O ASN A 85 6.652 -18.183 -4.455 1.00 0.00 O ATOM 1438 CB ASN A 85 6.399 -16.524 -1.940 1.00 0.00 C ATOM 1439 CG ASN A 85 7.115 -17.823 -1.607 1.00 0.00 C ATOM 1440 OD1 ASN A 85 6.504 -18.871 -1.443 1.00 0.00 O ATOM 1441 ND2 ASN A 85 8.422 -17.803 -1.479 1.00 0.00 N ATOM 0 H ASN A 85 6.720 -13.936 -3.523 1.00 0.00 H new ATOM 0 HA ASN A 85 7.689 -15.920 -3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.730 -15.754 -1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.330 -16.662 -1.778 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.925 -18.659 -1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.934 -16.932 -1.615 1.00 0.00 H new ATOM 1448 N ASN A 86 5.489 -16.632 -5.539 1.00 0.00 N ATOM 1449 CA ASN A 86 4.901 -17.548 -6.535 1.00 0.00 C ATOM 1450 C ASN A 86 5.887 -18.000 -7.642 1.00 0.00 C ATOM 1451 O ASN A 86 5.556 -18.844 -8.475 1.00 0.00 O ATOM 1452 CB ASN A 86 3.577 -16.941 -7.058 1.00 0.00 C ATOM 1453 CG ASN A 86 3.679 -16.331 -8.446 1.00 0.00 C ATOM 1454 OD1 ASN A 86 3.080 -16.792 -9.406 1.00 0.00 O ATOM 1455 ND2 ASN A 86 4.451 -15.282 -8.596 1.00 0.00 N ATOM 0 H ASN A 86 5.272 -15.652 -5.717 1.00 0.00 H new ATOM 0 HA ASN A 86 4.667 -18.491 -6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.813 -17.719 -7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.241 -16.174 -6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 86 4.552 -14.850 -9.515 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.951 -14.898 -7.794 1.00 0.00 H new ATOM 1462 N PHE A 87 7.118 -17.482 -7.625 1.00 0.00 N ATOM 1463 CA PHE A 87 8.189 -17.714 -8.608 1.00 0.00 C ATOM 1464 C PHE A 87 8.801 -19.138 -8.589 1.00 0.00 C ATOM 1465 O PHE A 87 9.849 -19.378 -9.191 1.00 0.00 O ATOM 1466 CB PHE A 87 9.251 -16.613 -8.410 1.00 0.00 C ATOM 1467 CG PHE A 87 9.951 -16.622 -7.057 1.00 0.00 C ATOM 1468 CD1 PHE A 87 9.528 -15.749 -6.034 1.00 0.00 C ATOM 1469 CD2 PHE A 87 11.036 -17.489 -6.819 1.00 0.00 C ATOM 1470 CE1 PHE A 87 10.179 -15.750 -4.787 1.00 0.00 C ATOM 1471 CE2 PHE A 87 11.672 -17.504 -5.565 1.00 0.00 C ATOM 1472 CZ PHE A 87 11.244 -16.635 -4.548 1.00 0.00 C ATOM 0 H PHE A 87 7.415 -16.851 -6.881 1.00 0.00 H new ATOM 0 HA PHE A 87 7.751 -17.656 -9.604 1.00 0.00 H new ATOM 0 HB2 PHE A 87 10.004 -16.713 -9.191 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.775 -15.642 -8.548 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.701 -15.077 -6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 87 11.381 -18.146 -7.604 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.860 -15.069 -4.012 1.00 0.00 H new ATOM 0 HE2 PHE A 87 12.491 -18.185 -5.384 1.00 0.00 H new ATOM 0 HZ PHE A 87 11.732 -16.647 -3.585 1.00 0.00 H new ATOM 1482 N LYS A 88 8.161 -20.092 -7.900 1.00 0.00 N ATOM 1483 CA LYS A 88 8.658 -21.460 -7.650 1.00 0.00 C ATOM 1484 C LYS A 88 8.333 -22.454 -8.773 1.00 0.00 C ATOM 1485 O LYS A 88 8.916 -23.537 -8.838 1.00 0.00 O ATOM 1486 CB LYS A 88 8.117 -21.933 -6.289 1.00 0.00 C ATOM 1487 CG LYS A 88 6.596 -22.188 -6.286 1.00 0.00 C ATOM 1488 CD LYS A 88 6.013 -22.355 -4.877 1.00 0.00 C ATOM 1489 CE LYS A 88 5.989 -21.019 -4.124 1.00 0.00 C ATOM 1490 NZ LYS A 88 5.484 -21.174 -2.737 1.00 0.00 N ATOM 0 H LYS A 88 7.245 -19.929 -7.483 1.00 0.00 H new ATOM 0 HA LYS A 88 9.747 -21.425 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.632 -22.850 -6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.353 -21.184 -5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.094 -21.358 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.383 -23.084 -6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.002 -22.756 -4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.606 -23.079 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.994 -20.598 -4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.360 -20.310 -4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.803 -20.370 -2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.444 -21.202 -2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.850 -22.059 -2.331 1.00 0.00 H new ATOM 1504 N THR A 89 7.402 -22.069 -9.645 1.00 0.00 N ATOM 1505 CA THR A 89 6.798 -22.902 -10.691 1.00 0.00 C ATOM 1506 C THR A 89 6.984 -22.265 -12.070 1.00 0.00 C ATOM 1507 O THR A 89 7.370 -22.935 -13.025 1.00 0.00 O ATOM 1508 CB THR A 89 5.306 -23.094 -10.376 1.00 0.00 C ATOM 1509 OG1 THR A 89 5.144 -23.673 -9.098 1.00 0.00 O ATOM 1510 CG2 THR A 89 4.630 -24.024 -11.365 1.00 0.00 C ATOM 0 H THR A 89 7.028 -21.120 -9.643 1.00 0.00 H new ATOM 0 HA THR A 89 7.293 -23.873 -10.710 1.00 0.00 H new ATOM 0 HB THR A 89 4.854 -22.104 -10.429 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.189 -23.788 -8.910 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.577 -24.130 -11.103 1.00 0.00 H new ATOM 0 HG22 THR A 89 4.714 -23.610 -12.370 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.112 -25.001 -11.334 1.00 0.00 H new ATOM 1518 N ILE A 90 6.782 -20.948 -12.163 1.00 0.00 N ATOM 1519 CA ILE A 90 7.169 -20.122 -13.319 1.00 0.00 C ATOM 1520 C ILE A 90 8.706 -19.971 -13.330 1.00 0.00 C ATOM 1521 O ILE A 90 9.378 -20.303 -12.351 1.00 0.00 O ATOM 1522 CB ILE A 90 6.418 -18.755 -13.310 1.00 0.00 C ATOM 1523 CG1 ILE A 90 4.971 -18.870 -12.757 1.00 0.00 C ATOM 1524 CG2 ILE A 90 6.368 -18.169 -14.738 1.00 0.00 C ATOM 1525 CD1 ILE A 90 4.195 -17.549 -12.668 1.00 0.00 C ATOM 0 H ILE A 90 6.334 -20.410 -11.421 1.00 0.00 H new ATOM 0 HA ILE A 90 6.872 -20.611 -14.247 1.00 0.00 H new ATOM 0 HB ILE A 90 6.976 -18.095 -12.646 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.412 -19.559 -13.390 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.014 -19.314 -11.763 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.842 -17.215 -14.721 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.383 -18.017 -15.105 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.844 -18.861 -15.397 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.198 -17.739 -12.270 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.723 -16.860 -12.009 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.112 -17.108 -13.661 1.00 0.00 H new ATOM 1537 N LYS A 91 9.277 -19.492 -14.440 1.00 0.00 N ATOM 1538 CA LYS A 91 10.714 -19.199 -14.648 1.00 0.00 C ATOM 1539 C LYS A 91 11.659 -20.417 -14.672 1.00 0.00 C ATOM 1540 O LYS A 91 12.826 -20.249 -15.027 1.00 0.00 O ATOM 1541 CB LYS A 91 11.213 -18.125 -13.646 1.00 0.00 C ATOM 1542 CG LYS A 91 10.385 -16.826 -13.538 1.00 0.00 C ATOM 1543 CD LYS A 91 10.985 -15.628 -14.288 1.00 0.00 C ATOM 1544 CE LYS A 91 11.022 -15.838 -15.807 1.00 0.00 C ATOM 1545 NZ LYS A 91 11.589 -14.653 -16.502 1.00 0.00 N ATOM 0 H LYS A 91 8.723 -19.283 -15.271 1.00 0.00 H new ATOM 0 HA LYS A 91 10.761 -18.809 -15.665 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.259 -18.580 -12.657 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.233 -17.855 -13.920 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.383 -17.015 -13.923 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.278 -16.564 -12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.402 -14.735 -14.063 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.997 -15.448 -13.926 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.619 -16.719 -16.040 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.014 -16.030 -16.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.601 -14.825 -17.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.004 -13.818 -16.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.559 -14.486 -16.168 1.00 0.00 H new ATOM 1559 N MET A 92 11.179 -21.623 -14.343 1.00 0.00 N ATOM 1560 CA MET A 92 11.967 -22.875 -14.372 1.00 0.00 C ATOM 1561 C MET A 92 11.396 -23.968 -15.297 1.00 0.00 C ATOM 1562 O MET A 92 12.053 -24.982 -15.544 1.00 0.00 O ATOM 1563 CB MET A 92 12.169 -23.373 -12.927 1.00 0.00 C ATOM 1564 CG MET A 92 10.915 -23.952 -12.249 1.00 0.00 C ATOM 1565 SD MET A 92 10.596 -25.706 -12.604 1.00 0.00 S ATOM 1566 CE MET A 92 9.076 -25.957 -11.651 1.00 0.00 C ATOM 0 H MET A 92 10.215 -21.765 -14.043 1.00 0.00 H new ATOM 0 HA MET A 92 12.934 -22.642 -14.819 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.946 -24.137 -12.929 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.538 -22.544 -12.323 1.00 0.00 H new ATOM 0 HG2 MET A 92 11.012 -23.826 -11.171 1.00 0.00 H new ATOM 0 HG3 MET A 92 10.049 -23.369 -12.562 1.00 0.00 H new ATOM 0 HE1 MET A 92 8.860 -27.023 -11.584 1.00 0.00 H new ATOM 0 HE2 MET A 92 9.204 -25.549 -10.648 1.00 0.00 H new ATOM 0 HE3 MET A 92 8.248 -25.450 -12.146 1.00 0.00 H new ATOM 1576 N PHE A 93 10.170 -23.774 -15.799 1.00 0.00 N ATOM 1577 CA PHE A 93 9.320 -24.832 -16.362 1.00 0.00 C ATOM 1578 C PHE A 93 9.031 -24.688 -17.872 1.00 0.00 C ATOM 1579 O PHE A 93 8.606 -25.645 -18.519 1.00 0.00 O ATOM 1580 CB PHE A 93 8.035 -24.837 -15.522 1.00 0.00 C ATOM 1581 CG PHE A 93 7.087 -25.985 -15.785 1.00 0.00 C ATOM 1582 CD1 PHE A 93 7.428 -27.282 -15.358 1.00 0.00 C ATOM 1583 CD2 PHE A 93 5.857 -25.754 -16.427 1.00 0.00 C ATOM 1584 CE1 PHE A 93 6.546 -28.353 -15.587 1.00 0.00 C ATOM 1585 CE2 PHE A 93 4.973 -26.826 -16.654 1.00 0.00 C ATOM 1586 CZ PHE A 93 5.318 -28.125 -16.235 1.00 0.00 C ATOM 0 H PHE A 93 9.730 -22.854 -15.826 1.00 0.00 H new ATOM 0 HA PHE A 93 9.845 -25.786 -16.306 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.311 -24.852 -14.468 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.503 -23.902 -15.699 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.368 -27.455 -14.854 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.591 -24.757 -16.745 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.811 -29.350 -15.266 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.030 -26.652 -17.150 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.640 -28.947 -16.411 1.00 0.00 H new ATOM 1596 N GLU A 94 9.293 -23.514 -18.457 1.00 0.00 N ATOM 1597 CA GLU A 94 9.086 -23.217 -19.889 1.00 0.00 C ATOM 1598 C GLU A 94 10.310 -23.527 -20.782 1.00 0.00 C ATOM 1599 O GLU A 94 10.333 -23.192 -21.968 1.00 0.00 O ATOM 1600 CB GLU A 94 8.578 -21.772 -20.053 1.00 0.00 C ATOM 1601 CG GLU A 94 9.576 -20.701 -19.588 1.00 0.00 C ATOM 1602 CD GLU A 94 9.078 -19.288 -19.955 1.00 0.00 C ATOM 1603 OE1 GLU A 94 9.649 -18.656 -20.880 1.00 0.00 O ATOM 1604 OE2 GLU A 94 8.120 -18.792 -19.316 1.00 0.00 O ATOM 0 H GLU A 94 9.665 -22.719 -17.938 1.00 0.00 H new ATOM 0 HA GLU A 94 8.319 -23.901 -20.253 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.338 -21.599 -21.102 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.651 -21.658 -19.491 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.716 -20.773 -18.509 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.548 -20.879 -20.048 1.00 0.00 H new