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 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 77 ASN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Set 2.1: A 48 SER OG : rot 180:sc= 0.813 USER MOD Set 2.2: A 88 LYS NZ :NH3+ -149:sc= 0.943 (180deg=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=-8.4!) USER MOD Single : A 40 LYS NZ :NH3+ -107:sc= 1.17 (180deg=-0.0378) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 54 ASN : amide:sc= 0.624 K(o=0.62,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.164 K(o=0.16,f=-8.5!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -9:sc= 0.492 USER MOD Single : A 62 LYS NZ :NH3+ -170:sc= 1.29 (180deg=1.21) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,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 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 23:sc= 0.417 USER MOD Single : A 85 ASN : amide:sc= 0.444 X(o=0.44,f=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -8.864 -6.115 3.177 1.00 0.00 N ATOM 624 CA LEU A 35 -8.825 -5.779 1.759 1.00 0.00 C ATOM 625 C LEU A 35 -9.910 -6.566 1.011 1.00 0.00 C ATOM 626 O LEU A 35 -10.143 -7.749 1.272 1.00 0.00 O ATOM 627 CB LEU A 35 -7.439 -6.083 1.143 1.00 0.00 C ATOM 628 CG LEU A 35 -6.312 -5.096 1.517 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.482 -5.540 2.724 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.339 -4.958 0.342 1.00 0.00 C ATOM 0 HA LEU A 35 -9.010 -4.709 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.137 -7.085 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.539 -6.098 0.058 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.812 -4.159 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.710 -4.798 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.130 -5.638 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.014 -6.501 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.544 -4.261 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.906 -5.931 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.873 -4.583 -0.531 1.00 0.00 H new ATOM 642 N SER A 36 -10.531 -5.895 0.047 1.00 0.00 N ATOM 643 CA SER A 36 -11.559 -6.427 -0.860 1.00 0.00 C ATOM 644 C SER A 36 -11.073 -6.489 -2.300 1.00 0.00 C ATOM 645 O SER A 36 -10.766 -7.567 -2.813 1.00 0.00 O ATOM 646 CB SER A 36 -12.881 -5.666 -0.686 1.00 0.00 C ATOM 647 OG SER A 36 -13.899 -6.253 -1.480 1.00 0.00 O ATOM 0 H SER A 36 -10.325 -4.913 -0.138 1.00 0.00 H new ATOM 0 HA SER A 36 -11.759 -7.463 -0.585 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.178 -5.676 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.747 -4.622 -0.969 1.00 0.00 H new ATOM 0 HG SER A 36 -14.736 -5.758 -1.357 1.00 0.00 H new ATOM 653 N GLU A 37 -10.962 -5.340 -2.954 1.00 0.00 N ATOM 654 CA GLU A 37 -10.677 -5.256 -4.385 1.00 0.00 C ATOM 655 C GLU A 37 -10.172 -3.865 -4.767 1.00 0.00 C ATOM 656 O GLU A 37 -9.130 -3.715 -5.403 1.00 0.00 O ATOM 657 CB GLU A 37 -11.971 -5.606 -5.146 1.00 0.00 C ATOM 658 CG GLU A 37 -11.638 -6.556 -6.291 1.00 0.00 C ATOM 659 CD GLU A 37 -12.884 -6.881 -7.137 1.00 0.00 C ATOM 660 OE1 GLU A 37 -13.194 -6.115 -8.084 1.00 0.00 O ATOM 661 OE2 GLU A 37 -13.557 -7.906 -6.873 1.00 0.00 O ATOM 0 H GLU A 37 -11.068 -4.431 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.887 -5.958 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.690 -6.069 -4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.436 -4.699 -5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.873 -6.108 -6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.219 -7.479 -5.889 1.00 0.00 H new ATOM 668 N GLU A 38 -10.855 -2.836 -4.264 1.00 0.00 N ATOM 669 CA GLU A 38 -10.431 -1.437 -4.400 1.00 0.00 C ATOM 670 C GLU A 38 -9.095 -1.191 -3.682 1.00 0.00 C ATOM 671 O GLU A 38 -8.263 -0.424 -4.159 1.00 0.00 O ATOM 672 CB GLU A 38 -11.552 -0.533 -3.861 1.00 0.00 C ATOM 673 CG GLU A 38 -11.274 0.960 -4.075 1.00 0.00 C ATOM 674 CD GLU A 38 -12.504 1.808 -3.694 1.00 0.00 C ATOM 675 OE1 GLU A 38 -12.695 2.105 -2.489 1.00 0.00 O ATOM 676 OE2 GLU A 38 -13.290 2.185 -4.597 1.00 0.00 O ATOM 0 H GLU A 38 -11.726 -2.948 -3.746 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.260 -1.201 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.490 -0.796 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.684 -0.723 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.417 1.264 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.012 1.140 -5.118 1.00 0.00 H new ATOM 683 N GLN A 39 -8.839 -1.907 -2.581 1.00 0.00 N ATOM 684 CA GLN A 39 -7.618 -1.776 -1.780 1.00 0.00 C ATOM 685 C GLN A 39 -6.381 -2.272 -2.548 1.00 0.00 C ATOM 686 O GLN A 39 -5.312 -1.663 -2.482 1.00 0.00 O ATOM 687 CB GLN A 39 -7.803 -2.509 -0.443 1.00 0.00 C ATOM 688 CG GLN A 39 -8.902 -1.907 0.453 1.00 0.00 C ATOM 689 CD GLN A 39 -10.331 -2.172 -0.011 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.625 -3.127 -0.722 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.265 -1.327 0.353 1.00 0.00 N ATOM 0 H GLN A 39 -9.486 -2.606 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.441 -0.721 -1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.043 -3.553 -0.643 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.858 -2.497 0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.784 -2.303 1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.750 -0.829 0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.029 -0.530 0.944 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.227 -1.467 0.045 1.00 0.00 H new ATOM 700 N LYS A 40 -6.535 -3.320 -3.367 1.00 0.00 N ATOM 701 CA LYS A 40 -5.487 -3.779 -4.302 1.00 0.00 C ATOM 702 C LYS A 40 -5.258 -2.806 -5.450 1.00 0.00 C ATOM 703 O LYS A 40 -4.110 -2.570 -5.822 1.00 0.00 O ATOM 704 CB LYS A 40 -5.850 -5.160 -4.858 1.00 0.00 C ATOM 705 CG LYS A 40 -5.615 -6.242 -3.799 1.00 0.00 C ATOM 706 CD LYS A 40 -6.589 -7.422 -3.954 1.00 0.00 C ATOM 707 CE LYS A 40 -7.333 -7.622 -2.630 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.231 -8.806 -2.661 1.00 0.00 N ATOM 0 H LYS A 40 -7.388 -3.877 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.557 -3.836 -3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.894 -5.170 -5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.250 -5.372 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.590 -6.606 -3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.727 -5.807 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.297 -7.224 -4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.045 -8.328 -4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.609 -7.739 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.919 -6.730 -2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.221 -8.490 -2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.011 -9.387 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.090 -9.371 -1.799 1.00 0.00 H new ATOM 722 N LYS A 41 -6.318 -2.151 -5.925 1.00 0.00 N ATOM 723 CA LYS A 41 -6.202 -1.022 -6.878 1.00 0.00 C ATOM 724 C LYS A 41 -5.445 0.205 -6.328 1.00 0.00 C ATOM 725 O LYS A 41 -5.157 1.128 -7.089 1.00 0.00 O ATOM 726 CB LYS A 41 -7.573 -0.625 -7.460 1.00 0.00 C ATOM 727 CG LYS A 41 -8.216 -1.736 -8.302 1.00 0.00 C ATOM 728 CD LYS A 41 -9.526 -1.244 -8.933 1.00 0.00 C ATOM 729 CE LYS A 41 -10.150 -2.342 -9.801 1.00 0.00 C ATOM 730 NZ LYS A 41 -11.389 -1.868 -10.473 1.00 0.00 N ATOM 0 H LYS A 41 -7.279 -2.378 -5.669 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.580 -1.401 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.245 -0.362 -6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.455 0.267 -8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.526 -2.053 -9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.412 -2.607 -7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.225 -0.950 -8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.334 -0.358 -9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.430 -2.667 -10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.380 -3.210 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.785 -2.636 -11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.085 -1.581 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.164 -1.055 -11.082 1.00 0.00 H new ATOM 744 N ILE A 42 -5.077 0.202 -5.042 1.00 0.00 N ATOM 745 CA ILE A 42 -4.254 1.229 -4.378 1.00 0.00 C ATOM 746 C ILE A 42 -2.840 0.714 -4.028 1.00 0.00 C ATOM 747 O ILE A 42 -1.915 1.519 -3.945 1.00 0.00 O ATOM 748 CB ILE A 42 -5.030 1.751 -3.148 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.334 2.460 -3.587 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.223 2.712 -2.260 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.434 2.259 -2.548 1.00 0.00 C ATOM 0 H ILE A 42 -5.354 -0.546 -4.406 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.080 2.058 -5.063 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.249 0.865 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.146 3.525 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.661 2.068 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.838 3.033 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.334 2.203 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.924 3.582 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.342 2.765 -2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.635 1.194 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.112 2.674 -1.593 1.00 0.00 H new ATOM 763 N VAL A 43 -2.642 -0.604 -3.865 1.00 0.00 N ATOM 764 CA VAL A 43 -1.355 -1.218 -3.461 1.00 0.00 C ATOM 765 C VAL A 43 -0.730 -2.060 -4.575 1.00 0.00 C ATOM 766 O VAL A 43 0.368 -1.752 -5.029 1.00 0.00 O ATOM 767 CB VAL A 43 -1.495 -2.050 -2.168 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.138 -2.629 -1.736 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.031 -1.206 -1.009 1.00 0.00 C ATOM 0 H VAL A 43 -3.382 -1.290 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.678 -0.388 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.196 -2.853 -2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.265 -3.211 -0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.251 -3.273 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.563 -1.815 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.116 -1.826 -0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.347 -0.380 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.012 -0.810 -1.271 1.00 0.00 H new ATOM 779 N ALA A 44 -1.415 -3.097 -5.062 1.00 0.00 N ATOM 780 CA ALA A 44 -0.911 -3.962 -6.134 1.00 0.00 C ATOM 781 C ALA A 44 -0.689 -3.183 -7.444 1.00 0.00 C ATOM 782 O ALA A 44 0.260 -3.456 -8.180 1.00 0.00 O ATOM 783 CB ALA A 44 -1.902 -5.115 -6.334 1.00 0.00 C ATOM 0 H ALA A 44 -2.340 -3.363 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 44 0.063 -4.358 -5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.543 -5.769 -7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.991 -5.683 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.877 -4.713 -6.608 1.00 0.00 H new ATOM 789 N ASP A 45 -1.524 -2.171 -7.696 1.00 0.00 N ATOM 790 CA ASP A 45 -1.352 -1.213 -8.798 1.00 0.00 C ATOM 791 C ASP A 45 -0.138 -0.275 -8.606 1.00 0.00 C ATOM 792 O ASP A 45 0.506 0.113 -9.580 1.00 0.00 O ATOM 793 CB ASP A 45 -2.644 -0.400 -8.930 1.00 0.00 C ATOM 794 CG ASP A 45 -2.628 0.508 -10.172 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.760 -0.019 -11.303 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.509 1.746 -10.021 1.00 0.00 O ATOM 0 H ASP A 45 -2.354 -1.989 -7.131 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.149 -1.775 -9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.495 -1.078 -8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.782 0.209 -8.037 1.00 0.00 H new ATOM 801 N TYR A 46 0.218 0.051 -7.357 1.00 0.00 N ATOM 802 CA TYR A 46 1.371 0.892 -7.004 1.00 0.00 C ATOM 803 C TYR A 46 2.694 0.118 -7.122 1.00 0.00 C ATOM 804 O TYR A 46 3.693 0.620 -7.640 1.00 0.00 O ATOM 805 CB TYR A 46 1.162 1.418 -5.575 1.00 0.00 C ATOM 806 CG TYR A 46 1.861 2.708 -5.184 1.00 0.00 C ATOM 807 CD1 TYR A 46 2.858 3.292 -5.984 1.00 0.00 C ATOM 808 CD2 TYR A 46 1.458 3.350 -4.000 1.00 0.00 C ATOM 809 CE1 TYR A 46 3.409 4.536 -5.644 1.00 0.00 C ATOM 810 CE2 TYR A 46 2.007 4.597 -3.639 1.00 0.00 C ATOM 811 CZ TYR A 46 2.981 5.200 -4.469 1.00 0.00 C ATOM 812 OH TYR A 46 3.532 6.393 -4.108 1.00 0.00 O ATOM 0 H TYR A 46 -0.302 -0.271 -6.541 1.00 0.00 H new ATOM 0 HA TYR A 46 1.439 1.727 -7.702 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.092 1.558 -5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.483 0.640 -4.882 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.203 2.778 -6.869 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.722 2.884 -3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.159 4.987 -6.277 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.686 5.090 -2.733 1.00 0.00 H new ATOM 0 HH TYR A 46 3.119 6.706 -3.276 1.00 0.00 H new ATOM 822 N ILE A 47 2.684 -1.160 -6.744 1.00 0.00 N ATOM 823 CA ILE A 47 3.768 -2.110 -7.024 1.00 0.00 C ATOM 824 C ILE A 47 4.032 -2.180 -8.542 1.00 0.00 C ATOM 825 O ILE A 47 5.181 -2.116 -8.977 1.00 0.00 O ATOM 826 CB ILE A 47 3.397 -3.457 -6.357 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.863 -3.565 -4.887 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.979 -4.665 -7.090 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.672 -2.310 -4.030 1.00 0.00 C ATOM 0 H ILE A 47 1.910 -1.575 -6.225 1.00 0.00 H new ATOM 0 HA ILE A 47 4.719 -1.793 -6.596 1.00 0.00 H new ATOM 0 HB ILE A 47 2.308 -3.468 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.326 -4.388 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.921 -3.829 -4.880 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.685 -5.580 -6.575 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.602 -4.687 -8.112 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.066 -4.592 -7.106 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.033 -2.501 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.233 -1.483 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.614 -2.052 -3.994 1.00 0.00 H new ATOM 841 N SER A 48 2.977 -2.161 -9.362 1.00 0.00 N ATOM 842 CA SER A 48 3.088 -2.053 -10.826 1.00 0.00 C ATOM 843 C SER A 48 3.493 -0.656 -11.345 1.00 0.00 C ATOM 844 O SER A 48 3.732 -0.515 -12.546 1.00 0.00 O ATOM 845 CB SER A 48 1.781 -2.491 -11.498 1.00 0.00 C ATOM 846 OG SER A 48 1.487 -3.853 -11.218 1.00 0.00 O ATOM 0 H SER A 48 2.014 -2.220 -9.030 1.00 0.00 H new ATOM 0 HA SER A 48 3.905 -2.723 -11.096 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.962 -1.861 -11.150 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.858 -2.348 -12.576 1.00 0.00 H new ATOM 0 HG SER A 48 0.648 -4.104 -11.658 1.00 0.00 H new ATOM 852 N GLU A 49 3.594 0.380 -10.496 1.00 0.00 N ATOM 853 CA GLU A 49 3.877 1.763 -10.903 1.00 0.00 C ATOM 854 C GLU A 49 5.280 2.247 -10.482 1.00 0.00 C ATOM 855 O GLU A 49 5.879 3.054 -11.197 1.00 0.00 O ATOM 856 CB GLU A 49 2.746 2.649 -10.347 1.00 0.00 C ATOM 857 CG GLU A 49 2.918 4.135 -10.662 1.00 0.00 C ATOM 858 CD GLU A 49 1.612 4.920 -10.434 1.00 0.00 C ATOM 859 OE1 GLU A 49 1.354 5.366 -9.291 1.00 0.00 O ATOM 860 OE2 GLU A 49 0.844 5.122 -11.409 1.00 0.00 O ATOM 0 H GLU A 49 3.479 0.276 -9.488 1.00 0.00 H new ATOM 0 HA GLU A 49 3.898 1.826 -11.991 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.795 2.308 -10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.693 2.520 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.707 4.551 -10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.238 4.253 -11.697 1.00 0.00 H new ATOM 867 N VAL A 50 5.828 1.755 -9.359 1.00 0.00 N ATOM 868 CA VAL A 50 7.098 2.252 -8.784 1.00 0.00 C ATOM 869 C VAL A 50 8.078 1.158 -8.325 1.00 0.00 C ATOM 870 O VAL A 50 9.258 1.437 -8.113 1.00 0.00 O ATOM 871 CB VAL A 50 6.774 3.251 -7.656 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.551 2.581 -6.299 1.00 0.00 C ATOM 873 CG2 VAL A 50 7.797 4.388 -7.596 1.00 0.00 C ATOM 0 H VAL A 50 5.405 0.999 -8.820 1.00 0.00 H new ATOM 0 HA VAL A 50 7.639 2.751 -9.588 1.00 0.00 H new ATOM 0 HB VAL A 50 5.814 3.701 -7.911 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.327 3.341 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.715 1.885 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.451 2.039 -6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.534 5.071 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.789 3.975 -7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.797 4.928 -8.543 1.00 0.00 H new ATOM 883 N GLY A 51 7.619 -0.086 -8.155 1.00 0.00 N ATOM 884 CA GLY A 51 8.454 -1.266 -7.892 1.00 0.00 C ATOM 885 C GLY A 51 7.876 -2.127 -6.777 1.00 0.00 C ATOM 886 O GLY A 51 7.189 -3.116 -7.014 1.00 0.00 O ATOM 0 H GLY A 51 6.624 -0.308 -8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.542 -1.860 -8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.460 -0.947 -7.621 1.00 0.00 H new ATOM 890 N LEU A 52 8.189 -1.729 -5.545 1.00 0.00 N ATOM 891 CA LEU A 52 7.725 -2.343 -4.293 1.00 0.00 C ATOM 892 C LEU A 52 8.012 -1.421 -3.103 1.00 0.00 C ATOM 893 O LEU A 52 7.181 -1.210 -2.226 1.00 0.00 O ATOM 894 CB LEU A 52 8.460 -3.694 -4.122 1.00 0.00 C ATOM 895 CG LEU A 52 8.019 -4.474 -2.872 1.00 0.00 C ATOM 896 CD1 LEU A 52 7.933 -5.968 -3.197 1.00 0.00 C ATOM 897 CD2 LEU A 52 8.960 -4.303 -1.676 1.00 0.00 C ATOM 0 H LEU A 52 8.803 -0.931 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 52 6.648 -2.504 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.286 -4.309 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.533 -3.511 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 52 7.049 -4.064 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.620 -6.516 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.207 -6.126 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.910 -6.327 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.585 -4.882 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.956 -4.656 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.010 -3.250 -1.400 1.00 0.00 H new ATOM 909 N ASN A 53 9.229 -0.880 -3.117 1.00 0.00 N ATOM 910 CA ASN A 53 9.869 -0.166 -2.015 1.00 0.00 C ATOM 911 C ASN A 53 9.984 1.362 -2.202 1.00 0.00 C ATOM 912 O ASN A 53 10.394 2.053 -1.267 1.00 0.00 O ATOM 913 CB ASN A 53 11.226 -0.848 -1.748 1.00 0.00 C ATOM 914 CG ASN A 53 12.302 -0.512 -2.772 1.00 0.00 C ATOM 915 OD1 ASN A 53 12.948 0.522 -2.717 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.526 -1.367 -3.747 1.00 0.00 N ATOM 0 H ASN A 53 9.827 -0.931 -3.942 1.00 0.00 H new ATOM 0 HA ASN A 53 9.225 -0.239 -1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.578 -0.558 -0.758 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.081 -1.928 -1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.236 -1.164 -4.451 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.990 -2.233 -3.799 1.00 0.00 H new ATOM 923 N ASN A 54 9.631 1.900 -3.380 1.00 0.00 N ATOM 924 CA ASN A 54 9.822 3.324 -3.692 1.00 0.00 C ATOM 925 C ASN A 54 8.575 4.180 -3.377 1.00 0.00 C ATOM 926 O ASN A 54 8.673 5.403 -3.259 1.00 0.00 O ATOM 927 CB ASN A 54 10.269 3.455 -5.154 1.00 0.00 C ATOM 928 CG ASN A 54 11.542 2.682 -5.453 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.622 3.003 -4.977 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.446 1.629 -6.233 1.00 0.00 N ATOM 0 H ASN A 54 9.208 1.364 -4.138 1.00 0.00 H new ATOM 0 HA ASN A 54 10.602 3.722 -3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.472 3.099 -5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.426 4.508 -5.388 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.275 1.074 -6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.542 1.367 -6.627 1.00 0.00 H new ATOM 937 N LEU A 55 7.413 3.536 -3.213 1.00 0.00 N ATOM 938 CA LEU A 55 6.185 4.131 -2.669 1.00 0.00 C ATOM 939 C LEU A 55 6.341 4.586 -1.208 1.00 0.00 C ATOM 940 O LEU A 55 7.257 4.148 -0.505 1.00 0.00 O ATOM 941 CB LEU A 55 5.027 3.129 -2.835 1.00 0.00 C ATOM 942 CG LEU A 55 5.202 1.750 -2.173 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.623 1.703 -0.762 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.475 0.693 -2.997 1.00 0.00 C ATOM 0 H LEU A 55 7.297 2.554 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 55 5.964 5.038 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.122 3.586 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.861 2.975 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 55 6.274 1.560 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.772 0.709 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.126 2.441 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.556 1.925 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.599 -0.283 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.414 0.938 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.891 0.667 -4.004 1.00 0.00 H new ATOM 956 N ASN A 56 5.415 5.427 -0.733 1.00 0.00 N ATOM 957 CA ASN A 56 5.299 5.786 0.680 1.00 0.00 C ATOM 958 C ASN A 56 4.001 5.236 1.296 1.00 0.00 C ATOM 959 O ASN A 56 3.110 4.732 0.610 1.00 0.00 O ATOM 960 CB ASN A 56 5.519 7.307 0.852 1.00 0.00 C ATOM 961 CG ASN A 56 4.356 8.201 0.449 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.205 7.806 0.366 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.609 9.470 0.244 1.00 0.00 N ATOM 0 H ASN A 56 4.720 5.880 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 56 6.088 5.303 1.257 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.756 7.503 1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.392 7.596 0.267 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.849 10.112 0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.566 9.816 0.310 1.00 0.00 H new ATOM 970 N ALA A 57 3.905 5.346 2.618 1.00 0.00 N ATOM 971 CA ALA A 57 2.755 4.906 3.401 1.00 0.00 C ATOM 972 C ALA A 57 1.628 5.957 3.446 1.00 0.00 C ATOM 973 O ALA A 57 0.470 5.611 3.674 1.00 0.00 O ATOM 974 CB ALA A 57 3.299 4.577 4.788 1.00 0.00 C ATOM 0 H ALA A 57 4.645 5.755 3.189 1.00 0.00 H new ATOM 0 HA ALA A 57 2.285 4.034 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.484 4.239 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.048 3.789 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.755 5.468 5.221 1.00 0.00 H new ATOM 980 N THR A 58 1.957 7.229 3.196 1.00 0.00 N ATOM 981 CA THR A 58 1.038 8.377 3.224 1.00 0.00 C ATOM 982 C THR A 58 -0.032 8.289 2.132 1.00 0.00 C ATOM 983 O THR A 58 -1.216 8.475 2.391 1.00 0.00 O ATOM 984 CB THR A 58 1.838 9.683 3.070 1.00 0.00 C ATOM 985 OG1 THR A 58 2.896 9.717 4.009 1.00 0.00 O ATOM 986 CG2 THR A 58 0.986 10.930 3.292 1.00 0.00 C ATOM 0 H THR A 58 2.911 7.500 2.958 1.00 0.00 H new ATOM 0 HA THR A 58 0.523 8.365 4.185 1.00 0.00 H new ATOM 0 HB THR A 58 2.210 9.691 2.046 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.401 10.550 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.604 11.819 3.170 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.174 10.950 2.565 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.570 10.912 4.299 1.00 0.00 H new ATOM 994 N GLU A 59 0.347 7.952 0.900 1.00 0.00 N ATOM 995 CA GLU A 59 -0.613 7.771 -0.201 1.00 0.00 C ATOM 996 C GLU A 59 -1.551 6.576 0.043 1.00 0.00 C ATOM 997 O GLU A 59 -2.748 6.656 -0.246 1.00 0.00 O ATOM 998 CB GLU A 59 0.137 7.602 -1.533 1.00 0.00 C ATOM 999 CG GLU A 59 0.908 8.851 -1.985 1.00 0.00 C ATOM 1000 CD GLU A 59 -0.037 10.029 -2.284 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.225 10.895 -1.395 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.609 10.097 -3.397 1.00 0.00 O ATOM 0 H GLU A 59 1.319 7.797 0.633 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.234 8.665 -0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.836 6.771 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.579 7.331 -2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.617 9.141 -1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.490 8.616 -2.876 1.00 0.00 H new ATOM 1009 N LEU A 60 -1.034 5.497 0.644 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.841 4.343 1.055 1.00 0.00 C ATOM 1011 C LEU A 60 -2.834 4.699 2.171 1.00 0.00 C ATOM 1012 O LEU A 60 -4.016 4.387 2.053 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.933 3.181 1.496 1.00 0.00 C ATOM 1014 CG LEU A 60 0.054 2.651 0.442 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.736 1.396 0.985 1.00 0.00 C ATOM 1016 CD2 LEU A 60 -0.638 2.293 -0.869 1.00 0.00 C ATOM 0 H LEU A 60 -0.042 5.400 0.859 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.424 4.031 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.363 3.504 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.567 2.355 1.818 1.00 0.00 H new ATOM 0 HG LEU A 60 0.776 3.442 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.438 1.014 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.274 1.641 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.016 0.637 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.100 1.924 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.385 1.520 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.125 3.179 -1.277 1.00 0.00 H new ATOM 1028 N SER A 61 -2.406 5.395 3.228 1.00 0.00 N ATOM 1029 CA SER A 61 -3.283 5.801 4.336 1.00 0.00 C ATOM 1030 C SER A 61 -4.385 6.773 3.903 1.00 0.00 C ATOM 1031 O SER A 61 -5.503 6.708 4.420 1.00 0.00 O ATOM 1032 CB SER A 61 -2.461 6.381 5.490 1.00 0.00 C ATOM 1033 OG SER A 61 -1.726 7.513 5.075 1.00 0.00 O ATOM 0 H SER A 61 -1.438 5.695 3.342 1.00 0.00 H new ATOM 0 HA SER A 61 -3.789 4.900 4.681 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.124 6.655 6.310 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.779 5.621 5.872 1.00 0.00 H new ATOM 0 HG SER A 61 -1.789 7.605 4.101 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.109 7.607 2.892 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.057 8.566 2.294 1.00 0.00 C ATOM 1041 C LYS A 62 -6.149 7.883 1.462 1.00 0.00 C ATOM 1042 O LYS A 62 -7.317 8.257 1.576 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.285 9.589 1.438 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.542 10.631 2.293 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.452 11.377 1.506 1.00 0.00 C ATOM 1046 CE LYS A 62 -3.012 12.204 0.342 1.00 0.00 C ATOM 1047 NZ LYS A 62 -1.917 12.848 -0.427 1.00 0.00 N ATOM 0 H LYS A 62 -3.190 7.636 2.451 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.566 9.076 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.568 9.063 0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.981 10.099 0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.260 11.352 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.089 10.134 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.909 12.035 2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.733 10.655 1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.596 11.562 -0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.689 12.967 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.320 13.532 -1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.277 13.341 0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.386 12.122 -0.949 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.789 6.889 0.636 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.706 6.232 -0.323 1.00 0.00 C ATOM 1063 C ARG A 63 -7.358 4.949 0.205 1.00 0.00 C ATOM 1064 O ARG A 63 -8.531 4.706 -0.073 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.967 5.978 -1.647 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.639 7.281 -2.390 1.00 0.00 C ATOM 1067 CD ARG A 63 -4.981 6.983 -3.744 1.00 0.00 C ATOM 1068 NE ARG A 63 -4.759 8.217 -4.525 1.00 0.00 N ATOM 1069 CZ ARG A 63 -5.628 8.843 -5.302 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -5.280 9.924 -5.939 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -6.852 8.422 -5.466 1.00 0.00 N ATOM 0 H ARG A 63 -4.842 6.510 0.611 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.536 6.919 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.044 5.434 -1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.579 5.342 -2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.551 7.858 -2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.972 7.894 -1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.029 6.478 -3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.612 6.300 -4.313 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.830 8.634 -4.458 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.334 10.292 -5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.954 10.403 -6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.170 7.580 -4.986 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.490 8.935 -6.074 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.623 4.146 0.978 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.085 2.883 1.582 1.00 0.00 C ATOM 1087 C LEU A 64 -7.787 3.125 2.939 1.00 0.00 C ATOM 1088 O LEU A 64 -8.520 2.263 3.419 1.00 0.00 O ATOM 1089 CB LEU A 64 -5.864 1.938 1.667 1.00 0.00 C ATOM 1090 CG LEU A 64 -6.099 0.433 1.442 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -4.751 -0.244 1.191 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -6.748 -0.285 2.624 1.00 0.00 C ATOM 0 H LEU A 64 -5.654 4.361 1.212 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.850 2.409 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.129 2.275 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.413 2.062 2.652 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.782 0.360 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.904 -1.311 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.283 0.193 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.103 -0.097 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.878 -1.340 2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.110 -0.190 3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.720 0.162 2.832 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.614 4.318 3.527 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.220 4.760 4.793 1.00 0.00 C ATOM 1106 C ASN A 65 -7.828 3.861 5.986 1.00 0.00 C ATOM 1107 O ASN A 65 -8.633 3.139 6.576 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.732 5.011 4.603 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.394 5.583 5.848 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -11.288 4.994 6.442 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -9.990 6.757 6.283 1.00 0.00 N ATOM 0 H ASN A 65 -7.019 5.036 3.113 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.800 5.725 5.076 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.880 5.698 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.221 4.074 4.335 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.421 7.170 7.110 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.246 7.254 5.793 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.538 3.931 6.314 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.823 3.201 7.374 1.00 0.00 C ATOM 1120 C ILE A 66 -4.881 4.172 8.103 1.00 0.00 C ATOM 1121 O ILE A 66 -4.541 5.222 7.559 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.034 1.999 6.785 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.151 2.418 5.582 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -6.004 0.865 6.429 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.377 1.304 4.876 1.00 0.00 C ATOM 0 H ILE A 66 -5.908 4.551 5.805 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.545 2.798 8.084 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.345 1.631 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.789 2.908 4.846 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.435 3.163 5.929 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.446 0.025 6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.533 0.544 7.326 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.723 1.220 5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.799 1.727 4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.702 0.824 5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.077 0.566 4.485 1.00 0.00 H new ATOM 1137 N THR A 67 -4.421 3.834 9.311 1.00 0.00 N ATOM 1138 CA THR A 67 -3.317 4.582 9.947 1.00 0.00 C ATOM 1139 C THR A 67 -2.001 4.353 9.194 1.00 0.00 C ATOM 1140 O THR A 67 -1.810 3.312 8.557 1.00 0.00 O ATOM 1141 CB THR A 67 -3.202 4.290 11.453 1.00 0.00 C ATOM 1142 OG1 THR A 67 -2.250 5.164 12.019 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.768 2.864 11.796 1.00 0.00 C ATOM 0 H THR A 67 -4.785 3.060 9.867 1.00 0.00 H new ATOM 0 HA THR A 67 -3.550 5.644 9.875 1.00 0.00 H new ATOM 0 HB THR A 67 -4.206 4.430 11.855 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.172 4.985 12.979 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.714 2.751 12.879 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.492 2.156 11.392 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.788 2.668 11.362 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.074 5.312 9.260 1.00 0.00 N ATOM 1152 CA VAL A 68 0.208 5.262 8.532 1.00 0.00 C ATOM 1153 C VAL A 68 1.018 4.023 8.925 1.00 0.00 C ATOM 1154 O VAL A 68 1.629 3.382 8.077 1.00 0.00 O ATOM 1155 CB VAL A 68 1.040 6.545 8.758 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.210 6.626 7.768 1.00 0.00 C ATOM 1157 CG2 VAL A 68 0.206 7.822 8.581 1.00 0.00 C ATOM 0 H VAL A 68 -1.188 6.155 9.824 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.027 5.197 7.470 1.00 0.00 H new ATOM 0 HB VAL A 68 1.401 6.483 9.785 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.778 7.538 7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.860 5.761 7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.824 6.636 6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.837 8.695 8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.197 7.856 7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.615 7.823 9.298 1.00 0.00 H new ATOM 1167 N ASP A 69 0.956 3.616 10.193 1.00 0.00 N ATOM 1168 CA ASP A 69 1.648 2.425 10.693 1.00 0.00 C ATOM 1169 C ASP A 69 1.076 1.101 10.161 1.00 0.00 C ATOM 1170 O ASP A 69 1.843 0.168 9.905 1.00 0.00 O ATOM 1171 CB ASP A 69 1.673 2.468 12.225 1.00 0.00 C ATOM 1172 CG ASP A 69 2.568 1.366 12.815 1.00 0.00 C ATOM 1173 OD1 ASP A 69 3.811 1.465 12.675 1.00 0.00 O ATOM 1174 OD2 ASP A 69 2.035 0.420 13.443 1.00 0.00 O ATOM 0 H ASP A 69 0.420 4.107 10.909 1.00 0.00 H new ATOM 0 HA ASP A 69 2.668 2.450 10.309 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.032 3.443 12.555 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.659 2.356 12.608 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.236 1.033 9.887 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.836 -0.108 9.180 1.00 0.00 C ATOM 1181 C LYS A 70 -0.308 -0.194 7.758 1.00 0.00 C ATOM 1182 O LYS A 70 0.029 -1.288 7.324 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.379 -0.041 9.178 1.00 0.00 C ATOM 1184 CG LYS A 70 -3.023 -0.866 10.302 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.558 -0.755 10.244 1.00 0.00 C ATOM 1186 CE LYS A 70 -5.246 -1.639 11.294 1.00 0.00 C ATOM 1187 NZ LYS A 70 -5.398 -3.049 10.847 1.00 0.00 N ATOM 0 H LYS A 70 -0.904 1.759 10.146 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.548 -1.010 9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.691 0.999 9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.750 -0.397 8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.725 -1.910 10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.664 -0.515 11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.851 0.283 10.398 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.903 -1.039 9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.668 -1.615 12.218 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.229 -1.227 11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.868 -3.601 11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.972 -3.078 9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.460 -3.455 10.654 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.153 0.933 7.065 1.00 0.00 N ATOM 1202 CA ALA A 71 0.383 0.954 5.701 1.00 0.00 C ATOM 1203 C ALA A 71 1.864 0.539 5.694 1.00 0.00 C ATOM 1204 O ALA A 71 2.248 -0.381 4.970 1.00 0.00 O ATOM 1205 CB ALA A 71 0.159 2.355 5.112 1.00 0.00 C ATOM 0 H ALA A 71 -0.394 1.855 7.430 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.138 0.230 5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.552 2.390 4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.908 2.577 5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.674 3.094 5.726 1.00 0.00 H new ATOM 1211 N LYS A 72 2.673 1.145 6.573 1.00 0.00 N ATOM 1212 CA LYS A 72 4.110 0.862 6.749 1.00 0.00 C ATOM 1213 C LYS A 72 4.387 -0.621 7.010 1.00 0.00 C ATOM 1214 O LYS A 72 5.325 -1.166 6.427 1.00 0.00 O ATOM 1215 CB LYS A 72 4.664 1.698 7.918 1.00 0.00 C ATOM 1216 CG LYS A 72 4.898 3.176 7.575 1.00 0.00 C ATOM 1217 CD LYS A 72 5.186 4.063 8.797 1.00 0.00 C ATOM 1218 CE LYS A 72 6.313 3.520 9.685 1.00 0.00 C ATOM 1219 NZ LYS A 72 6.705 4.494 10.738 1.00 0.00 N ATOM 0 H LYS A 72 2.337 1.872 7.205 1.00 0.00 H new ATOM 0 HA LYS A 72 4.608 1.131 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.970 1.636 8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.605 1.260 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.735 3.249 6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.020 3.562 7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.450 5.064 8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.277 4.158 9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.991 2.589 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.180 3.283 9.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.469 4.090 11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.036 5.373 10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.884 4.701 11.343 1.00 0.00 H new ATOM 1233 N THR A 73 3.582 -1.283 7.849 1.00 0.00 N ATOM 1234 CA THR A 73 3.800 -2.707 8.167 1.00 0.00 C ATOM 1235 C THR A 73 3.156 -3.644 7.138 1.00 0.00 C ATOM 1236 O THR A 73 3.779 -4.618 6.712 1.00 0.00 O ATOM 1237 CB THR A 73 3.411 -3.014 9.624 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.132 -4.143 10.067 1.00 0.00 O ATOM 1239 CG2 THR A 73 1.920 -3.264 9.861 1.00 0.00 C ATOM 0 H THR A 73 2.779 -0.864 8.319 1.00 0.00 H new ATOM 0 HA THR A 73 4.868 -2.908 8.089 1.00 0.00 H new ATOM 0 HB THR A 73 3.659 -2.114 10.187 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.890 -4.342 10.995 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.749 -3.471 10.917 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.352 -2.381 9.568 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.595 -4.118 9.267 1.00 0.00 H new ATOM 1247 N TYR A 74 1.966 -3.307 6.625 1.00 0.00 N ATOM 1248 CA TYR A 74 1.266 -4.108 5.618 1.00 0.00 C ATOM 1249 C TYR A 74 2.053 -4.241 4.303 1.00 0.00 C ATOM 1250 O TYR A 74 2.054 -5.326 3.720 1.00 0.00 O ATOM 1251 CB TYR A 74 -0.127 -3.519 5.370 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.839 -4.157 4.203 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -1.308 -5.483 4.289 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -0.924 -3.448 2.994 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.827 -6.117 3.144 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.455 -4.075 1.859 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.879 -5.419 1.917 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.293 -6.046 0.784 1.00 0.00 O ATOM 0 H TYR A 74 1.460 -2.465 6.900 1.00 0.00 H new ATOM 0 HA TYR A 74 1.169 -5.120 6.012 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.732 -3.641 6.268 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.036 -2.448 5.191 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.269 -6.011 5.230 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.582 -2.425 2.939 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.184 -7.134 3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.540 -3.525 0.933 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.268 -5.416 0.034 1.00 0.00 H new ATOM 1268 N ILE A 75 2.782 -3.199 3.877 1.00 0.00 N ATOM 1269 CA ILE A 75 3.699 -3.245 2.719 1.00 0.00 C ATOM 1270 C ILE A 75 4.607 -4.490 2.791 1.00 0.00 C ATOM 1271 O ILE A 75 4.595 -5.324 1.881 1.00 0.00 O ATOM 1272 CB ILE A 75 4.510 -1.923 2.647 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.636 -0.766 2.105 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.770 -2.049 1.769 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.201 0.627 2.440 1.00 0.00 C ATOM 0 H ILE A 75 2.754 -2.286 4.331 1.00 0.00 H new ATOM 0 HA ILE A 75 3.123 -3.334 1.798 1.00 0.00 H new ATOM 0 HB ILE A 75 4.825 -1.706 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.545 -0.864 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.631 -0.853 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.299 -1.096 1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.423 -2.820 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.480 -2.320 0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.543 1.394 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.267 0.742 3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.194 0.732 2.003 1.00 0.00 H new ATOM 1287 N LYS A 76 5.338 -4.667 3.902 1.00 0.00 N ATOM 1288 CA LYS A 76 6.230 -5.818 4.112 1.00 0.00 C ATOM 1289 C LYS A 76 5.506 -7.113 4.494 1.00 0.00 C ATOM 1290 O LYS A 76 5.972 -8.182 4.111 1.00 0.00 O ATOM 1291 CB LYS A 76 7.372 -5.462 5.081 1.00 0.00 C ATOM 1292 CG LYS A 76 6.931 -5.152 6.520 1.00 0.00 C ATOM 1293 CD LYS A 76 8.143 -4.992 7.446 1.00 0.00 C ATOM 1294 CE LYS A 76 7.675 -4.773 8.891 1.00 0.00 C ATOM 1295 NZ LYS A 76 8.825 -4.662 9.826 1.00 0.00 N ATOM 0 H LYS A 76 5.327 -4.012 4.684 1.00 0.00 H new ATOM 0 HA LYS A 76 6.674 -6.040 3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.080 -6.291 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.906 -4.598 4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.337 -4.238 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.291 -5.954 6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.773 -5.879 7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.751 -4.148 7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.072 -3.867 8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.035 -5.601 9.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.473 -4.515 10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.386 -5.537 9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.422 -3.857 9.548 1.00 0.00 H new ATOM 1309 N ASN A 77 4.362 -7.063 5.181 1.00 0.00 N ATOM 1310 CA ASN A 77 3.596 -8.282 5.488 1.00 0.00 C ATOM 1311 C ASN A 77 2.989 -8.924 4.225 1.00 0.00 C ATOM 1312 O ASN A 77 2.917 -10.151 4.127 1.00 0.00 O ATOM 1313 CB ASN A 77 2.483 -8.009 6.519 1.00 0.00 C ATOM 1314 CG ASN A 77 2.947 -7.594 7.905 1.00 0.00 C ATOM 1315 OD1 ASN A 77 2.428 -6.662 8.498 1.00 0.00 O ATOM 1316 ND2 ASN A 77 3.873 -8.307 8.508 1.00 0.00 N ATOM 0 H ASN A 77 3.945 -6.202 5.534 1.00 0.00 H new ATOM 0 HA ASN A 77 4.308 -8.986 5.918 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.834 -7.227 6.125 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.875 -8.909 6.615 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.151 -8.079 9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.313 -9.088 8.021 1.00 0.00 H new ATOM 1420 N THR A 84 7.980 -10.072 -5.970 1.00 0.00 N ATOM 1421 CA THR A 84 7.660 -8.635 -6.137 1.00 0.00 C ATOM 1422 C THR A 84 6.150 -8.361 -6.290 1.00 0.00 C ATOM 1423 O THR A 84 5.735 -7.441 -6.991 1.00 0.00 O ATOM 1424 CB THR A 84 8.513 -7.985 -7.253 1.00 0.00 C ATOM 1425 OG1 THR A 84 9.796 -8.582 -7.328 1.00 0.00 O ATOM 1426 CG2 THR A 84 8.769 -6.499 -6.995 1.00 0.00 C ATOM 0 HA THR A 84 7.939 -8.144 -5.205 1.00 0.00 H new ATOM 0 HB THR A 84 7.941 -8.128 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.760 -9.483 -6.945 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.371 -6.088 -7.805 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.818 -5.969 -6.945 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.301 -6.380 -6.051 1.00 0.00 H new ATOM 1434 N ASN A 85 5.313 -9.222 -5.691 1.00 0.00 N ATOM 1435 CA ASN A 85 3.856 -9.302 -5.897 1.00 0.00 C ATOM 1436 C ASN A 85 3.405 -9.231 -7.383 1.00 0.00 C ATOM 1437 O ASN A 85 2.373 -8.635 -7.702 1.00 0.00 O ATOM 1438 CB ASN A 85 3.143 -8.323 -4.942 1.00 0.00 C ATOM 1439 CG ASN A 85 1.775 -8.826 -4.505 1.00 0.00 C ATOM 1440 OD1 ASN A 85 1.583 -9.306 -3.399 1.00 0.00 O ATOM 1441 ND2 ASN A 85 0.792 -8.772 -5.372 1.00 0.00 N ATOM 0 H ASN A 85 5.647 -9.913 -5.019 1.00 0.00 H new ATOM 0 HA ASN A 85 3.533 -10.307 -5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.765 -8.162 -4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.031 -7.357 -5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.129 -9.130 -5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.949 -8.372 -6.297 1.00 0.00 H new ATOM 1448 N ASN A 86 4.177 -9.832 -8.299 1.00 0.00 N ATOM 1449 CA ASN A 86 3.880 -9.902 -9.741 1.00 0.00 C ATOM 1450 C ASN A 86 3.321 -11.273 -10.200 1.00 0.00 C ATOM 1451 O ASN A 86 2.839 -11.414 -11.323 1.00 0.00 O ATOM 1452 CB ASN A 86 5.091 -9.380 -10.548 1.00 0.00 C ATOM 1453 CG ASN A 86 5.899 -10.461 -11.246 1.00 0.00 C ATOM 1454 OD1 ASN A 86 5.899 -10.585 -12.461 1.00 0.00 O ATOM 1455 ND2 ASN A 86 6.604 -11.280 -10.505 1.00 0.00 N ATOM 0 H ASN A 86 5.051 -10.297 -8.053 1.00 0.00 H new ATOM 0 HA ASN A 86 3.045 -9.234 -9.955 1.00 0.00 H new ATOM 0 HB2 ASN A 86 4.735 -8.671 -11.296 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.749 -8.830 -9.876 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.152 -12.020 -10.943 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.605 -11.177 -9.490 1.00 0.00 H new ATOM 1462 N PHE A 87 3.276 -12.262 -9.300 1.00 0.00 N ATOM 1463 CA PHE A 87 2.683 -13.601 -9.491 1.00 0.00 C ATOM 1464 C PHE A 87 1.130 -13.605 -9.544 1.00 0.00 C ATOM 1465 O PHE A 87 0.478 -14.638 -9.389 1.00 0.00 O ATOM 1466 CB PHE A 87 3.254 -14.543 -8.412 1.00 0.00 C ATOM 1467 CG PHE A 87 2.662 -14.353 -7.025 1.00 0.00 C ATOM 1468 CD1 PHE A 87 3.103 -13.303 -6.195 1.00 0.00 C ATOM 1469 CD2 PHE A 87 1.643 -15.215 -6.574 1.00 0.00 C ATOM 1470 CE1 PHE A 87 2.504 -13.096 -4.939 1.00 0.00 C ATOM 1471 CE2 PHE A 87 1.045 -15.007 -5.318 1.00 0.00 C ATOM 1472 CZ PHE A 87 1.472 -13.944 -4.503 1.00 0.00 C ATOM 0 H PHE A 87 3.672 -12.149 -8.367 1.00 0.00 H new ATOM 0 HA PHE A 87 2.966 -13.965 -10.479 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.088 -15.574 -8.725 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.333 -14.396 -8.355 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.903 -12.656 -6.524 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.320 -16.038 -7.194 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.838 -12.285 -4.309 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.258 -15.664 -4.980 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.007 -13.779 -3.542 1.00 0.00 H new ATOM 1482 N LYS A 88 0.531 -12.427 -9.772 1.00 0.00 N ATOM 1483 CA LYS A 88 -0.913 -12.145 -9.867 1.00 0.00 C ATOM 1484 C LYS A 88 -1.487 -12.407 -11.265 1.00 0.00 C ATOM 1485 O LYS A 88 -2.705 -12.409 -11.445 1.00 0.00 O ATOM 1486 CB LYS A 88 -1.153 -10.691 -9.404 1.00 0.00 C ATOM 1487 CG LYS A 88 -0.423 -9.630 -10.255 1.00 0.00 C ATOM 1488 CD LYS A 88 -0.368 -8.261 -9.562 1.00 0.00 C ATOM 1489 CE LYS A 88 0.625 -7.345 -10.297 1.00 0.00 C ATOM 1490 NZ LYS A 88 0.960 -6.133 -9.504 1.00 0.00 N ATOM 0 H LYS A 88 1.084 -11.580 -9.905 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.449 -12.835 -9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.223 -10.486 -9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.832 -10.593 -8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.592 -9.970 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.928 -9.528 -11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.359 -7.807 -9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.065 -8.381 -8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.538 -7.900 -10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.200 -7.045 -11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.161 -5.342 -10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.156 -5.886 -8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.797 -6.323 -8.917 1.00 0.00 H new ATOM 1504 N THR A 89 -0.596 -12.634 -12.232 1.00 0.00 N ATOM 1505 CA THR A 89 -0.883 -12.822 -13.657 1.00 0.00 C ATOM 1506 C THR A 89 -0.059 -13.974 -14.242 1.00 0.00 C ATOM 1507 O THR A 89 -0.594 -14.812 -14.965 1.00 0.00 O ATOM 1508 CB THR A 89 -0.581 -11.515 -14.404 1.00 0.00 C ATOM 1509 OG1 THR A 89 -1.351 -10.452 -13.884 1.00 0.00 O ATOM 1510 CG2 THR A 89 -0.915 -11.638 -15.879 1.00 0.00 C ATOM 0 H THR A 89 0.402 -12.695 -12.031 1.00 0.00 H new ATOM 0 HA THR A 89 -1.936 -13.080 -13.775 1.00 0.00 H new ATOM 0 HB THR A 89 0.483 -11.317 -14.274 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.143 -9.628 -14.372 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.691 -10.698 -16.382 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.320 -12.437 -16.321 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.974 -11.868 -15.994 1.00 0.00 H new ATOM 1518 N ILE A 90 1.230 -14.069 -13.892 1.00 0.00 N ATOM 1519 CA ILE A 90 2.070 -15.251 -14.164 1.00 0.00 C ATOM 1520 C ILE A 90 1.620 -16.402 -13.250 1.00 0.00 C ATOM 1521 O ILE A 90 1.093 -16.170 -12.161 1.00 0.00 O ATOM 1522 CB ILE A 90 3.579 -14.922 -14.006 1.00 0.00 C ATOM 1523 CG1 ILE A 90 3.934 -13.613 -14.758 1.00 0.00 C ATOM 1524 CG2 ILE A 90 4.470 -16.077 -14.508 1.00 0.00 C ATOM 1525 CD1 ILE A 90 5.409 -13.194 -14.694 1.00 0.00 C ATOM 0 H ILE A 90 1.728 -13.322 -13.407 1.00 0.00 H new ATOM 0 HA ILE A 90 1.941 -15.562 -15.201 1.00 0.00 H new ATOM 0 HB ILE A 90 3.772 -14.786 -12.942 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.652 -13.728 -15.805 1.00 0.00 H new ATOM 0 HG13 ILE A 90 3.327 -12.805 -14.351 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.519 -15.809 -14.381 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.254 -16.979 -13.935 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.268 -16.260 -15.563 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.549 -12.268 -15.251 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.699 -13.039 -13.655 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.029 -13.977 -15.131 1.00 0.00 H new ATOM 1537 N LYS A 91 1.844 -17.647 -13.686 1.00 0.00 N ATOM 1538 CA LYS A 91 1.675 -18.890 -12.906 1.00 0.00 C ATOM 1539 C LYS A 91 0.238 -19.265 -12.494 1.00 0.00 C ATOM 1540 O LYS A 91 0.025 -20.365 -11.986 1.00 0.00 O ATOM 1541 CB LYS A 91 2.668 -18.841 -11.725 1.00 0.00 C ATOM 1542 CG LYS A 91 3.156 -20.220 -11.257 1.00 0.00 C ATOM 1543 CD LYS A 91 4.493 -20.124 -10.503 1.00 0.00 C ATOM 1544 CE LYS A 91 5.675 -19.720 -11.405 1.00 0.00 C ATOM 1545 NZ LYS A 91 6.168 -20.851 -12.234 1.00 0.00 N ATOM 0 H LYS A 91 2.164 -17.830 -14.637 1.00 0.00 H new ATOM 0 HA LYS A 91 1.906 -19.722 -13.572 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.531 -18.241 -12.015 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.193 -18.332 -10.886 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.404 -20.672 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.271 -20.877 -12.119 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.396 -19.397 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.711 -21.087 -10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.368 -18.902 -12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.490 -19.345 -10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.963 -20.529 -12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.487 -21.623 -11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.400 -21.193 -12.846 1.00 0.00 H new ATOM 1559 N MET A 92 -0.758 -18.416 -12.773 1.00 0.00 N ATOM 1560 CA MET A 92 -2.182 -18.728 -12.552 1.00 0.00 C ATOM 1561 C MET A 92 -2.802 -19.558 -13.694 1.00 0.00 C ATOM 1562 O MET A 92 -3.764 -20.295 -13.467 1.00 0.00 O ATOM 1563 CB MET A 92 -2.983 -17.438 -12.294 1.00 0.00 C ATOM 1564 CG MET A 92 -3.218 -16.597 -13.555 1.00 0.00 C ATOM 1565 SD MET A 92 -4.129 -15.057 -13.282 1.00 0.00 S ATOM 1566 CE MET A 92 -4.254 -14.487 -15.000 1.00 0.00 C ATOM 0 H MET A 92 -0.601 -17.486 -13.161 1.00 0.00 H new ATOM 0 HA MET A 92 -2.236 -19.356 -11.663 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.947 -17.700 -11.858 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.454 -16.833 -11.558 1.00 0.00 H new ATOM 0 HG2 MET A 92 -2.252 -16.357 -14.000 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.762 -17.201 -14.281 1.00 0.00 H new ATOM 0 HE1 MET A 92 -4.791 -13.539 -15.031 1.00 0.00 H new ATOM 0 HE2 MET A 92 -3.254 -14.351 -15.412 1.00 0.00 H new ATOM 0 HE3 MET A 92 -4.792 -15.228 -15.591 1.00 0.00 H new ATOM 1576 N PHE A 93 -2.257 -19.436 -14.913 1.00 0.00 N ATOM 1577 CA PHE A 93 -2.771 -20.073 -16.137 1.00 0.00 C ATOM 1578 C PHE A 93 -1.816 -21.122 -16.746 1.00 0.00 C ATOM 1579 O PHE A 93 -2.210 -21.873 -17.641 1.00 0.00 O ATOM 1580 CB PHE A 93 -3.150 -18.976 -17.150 1.00 0.00 C ATOM 1581 CG PHE A 93 -1.982 -18.283 -17.834 1.00 0.00 C ATOM 1582 CD1 PHE A 93 -1.473 -18.787 -19.046 1.00 0.00 C ATOM 1583 CD2 PHE A 93 -1.417 -17.122 -17.273 1.00 0.00 C ATOM 1584 CE1 PHE A 93 -0.401 -18.140 -19.688 1.00 0.00 C ATOM 1585 CE2 PHE A 93 -0.341 -16.478 -17.913 1.00 0.00 C ATOM 1586 CZ PHE A 93 0.167 -16.987 -19.120 1.00 0.00 C ATOM 0 H PHE A 93 -1.422 -18.875 -15.081 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.658 -20.645 -15.866 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.787 -19.418 -17.916 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -3.746 -18.222 -16.636 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.907 -19.673 -19.485 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.810 -16.724 -16.349 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.014 -18.530 -20.618 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.094 -15.592 -17.476 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.993 -16.493 -19.610 1.00 0.00 H new ATOM 1596 N GLU A 94 -0.572 -21.193 -16.262 1.00 0.00 N ATOM 1597 CA GLU A 94 0.470 -22.125 -16.722 1.00 0.00 C ATOM 1598 C GLU A 94 0.525 -23.399 -15.860 1.00 0.00 C ATOM 1599 O GLU A 94 0.258 -23.365 -14.655 1.00 0.00 O ATOM 1600 CB GLU A 94 1.843 -21.425 -16.713 1.00 0.00 C ATOM 1601 CG GLU A 94 1.986 -20.277 -17.722 1.00 0.00 C ATOM 1602 CD GLU A 94 2.233 -20.785 -19.159 1.00 0.00 C ATOM 1603 OE1 GLU A 94 1.307 -21.353 -19.788 1.00 0.00 O ATOM 1604 OE2 GLU A 94 3.368 -20.624 -19.673 1.00 0.00 O ATOM 0 H GLU A 94 -0.248 -20.582 -15.512 1.00 0.00 H new ATOM 0 HA GLU A 94 0.217 -22.426 -17.739 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.030 -21.036 -15.712 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.615 -22.167 -16.916 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.083 -19.667 -17.705 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.811 -19.632 -17.420 1.00 0.00 H new