USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 710 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 79 SER OG : rot 90:sc= 0.987 USER MOD Set 1.2: A 116 LYS NZ :NH3+ 151:sc= 0.973 (180deg=-0.752) USER MOD Set 2.1: A 68 THR OG1 : rot 45:sc= 0.034 USER MOD Set 2.2: A 71 ASN : amide:sc= -8.25! C(o=-8.2!,f=-18!) USER MOD Set 3.1: A 53 TYR OH : rot 52:sc= 2.08 USER MOD Set 3.2: A 111 HIS : no HE2:sc= 0.479 K(o=2.6,f=-7.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -107:sc= 0.99! (180deg=0.431) USER MOD Single : A 52 THR OG1 : rot 159:sc= 1.28 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 97:sc= 1.28 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= 1.35 (180deg=0.46) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= -0.0432 (180deg=-0.366) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc=-0.00474 (180deg=-0.0968) USER MOD Single : A 76 MET CE :methyl -179:sc= -0.746 (180deg=-0.755) USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.603) USER MOD Single : A 80 LYS NZ :NH3+ 156:sc= -1.58! (180deg=-2.72!) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0158 F(o=-1.2!,f=-0.016) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00643 USER MOD Single : A 88 LYS NZ :NH3+ 146:sc= 0.121 (180deg=-1.04) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -3.22! C(o=-3.2!,f=-3.9!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0.687 (180deg=0.687) USER MOD Single : A 120 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-3.1!) USER MOD Single : A 129 HIS : no HD1:sc= -0.706 X(o=-0.71,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 587 N VAL A 45 -4.330 1.395 -3.701 1.00 0.83 N ATOM 588 CA VAL A 45 -4.006 2.397 -4.704 1.00 0.83 C ATOM 589 C VAL A 45 -2.653 2.122 -5.382 1.00 0.65 C ATOM 590 O VAL A 45 -2.309 2.742 -6.387 1.00 0.73 O ATOM 591 CB VAL A 45 -3.979 3.791 -4.045 1.00 1.00 C ATOM 592 CG1 VAL A 45 -3.856 4.897 -5.085 1.00 1.21 C ATOM 593 CG2 VAL A 45 -5.213 4.007 -3.166 1.00 1.20 C ATOM 0 HA VAL A 45 -4.775 2.356 -5.475 1.00 0.83 H new ATOM 0 HB VAL A 45 -3.096 3.835 -3.408 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -3.840 5.866 -4.586 1.00 1.21 H new ATOM 0 HG12 VAL A 45 -2.933 4.764 -5.650 1.00 1.21 H new ATOM 0 HG13 VAL A 45 -4.707 4.853 -5.765 1.00 1.21 H new ATOM 0 HG21 VAL A 45 -5.169 4.998 -2.714 1.00 1.20 H new ATOM 0 HG22 VAL A 45 -6.113 3.927 -3.776 1.00 1.20 H new ATOM 0 HG23 VAL A 45 -5.238 3.251 -2.382 1.00 1.20 H new ATOM 603 N VAL A 46 -1.883 1.193 -4.846 1.00 0.48 N ATOM 604 CA VAL A 46 -0.573 0.900 -5.410 1.00 0.34 C ATOM 605 C VAL A 46 -0.662 -0.159 -6.499 1.00 0.33 C ATOM 606 O VAL A 46 0.254 -0.309 -7.291 1.00 0.40 O ATOM 607 CB VAL A 46 0.445 0.496 -4.306 1.00 0.33 C ATOM 608 CG1 VAL A 46 1.799 0.128 -4.879 1.00 0.66 C ATOM 609 CG2 VAL A 46 0.641 1.641 -3.351 1.00 0.53 C ATOM 0 H VAL A 46 -2.135 0.633 -4.031 1.00 0.48 H new ATOM 0 HA VAL A 46 -0.205 1.815 -5.873 1.00 0.34 H new ATOM 0 HB VAL A 46 0.032 -0.376 -3.799 1.00 0.33 H new ATOM 0 HG11 VAL A 46 2.475 -0.146 -4.069 1.00 0.66 H new ATOM 0 HG12 VAL A 46 1.689 -0.715 -5.561 1.00 0.66 H new ATOM 0 HG13 VAL A 46 2.209 0.981 -5.420 1.00 0.66 H new ATOM 0 HG21 VAL A 46 1.355 1.353 -2.579 1.00 0.53 H new ATOM 0 HG22 VAL A 46 1.022 2.506 -3.894 1.00 0.53 H new ATOM 0 HG23 VAL A 46 -0.312 1.895 -2.887 1.00 0.53 H new ATOM 619 N GLY A 47 -1.786 -0.842 -6.591 1.00 0.42 N ATOM 620 CA GLY A 47 -1.944 -1.815 -7.654 1.00 0.54 C ATOM 621 C GLY A 47 -2.081 -1.151 -9.011 1.00 0.56 C ATOM 622 O GLY A 47 -1.978 -1.805 -10.046 1.00 0.72 O ATOM 0 H GLY A 47 -2.583 -0.747 -5.962 1.00 0.42 H new ATOM 0 HA2 GLY A 47 -1.085 -2.486 -7.663 1.00 0.54 H new ATOM 0 HA3 GLY A 47 -2.825 -2.427 -7.458 1.00 0.54 H new ATOM 626 N LYS A 48 -2.298 0.160 -8.994 1.00 0.49 N ATOM 627 CA LYS A 48 -2.489 0.927 -10.210 1.00 0.60 C ATOM 628 C LYS A 48 -1.336 1.883 -10.485 1.00 0.54 C ATOM 629 O LYS A 48 -1.059 2.208 -11.637 1.00 0.67 O ATOM 630 CB LYS A 48 -3.787 1.712 -10.112 1.00 0.76 C ATOM 631 CG LYS A 48 -4.005 2.400 -8.776 1.00 0.94 C ATOM 632 CD LYS A 48 -5.390 3.030 -8.688 1.00 1.43 C ATOM 633 CE LYS A 48 -6.480 2.031 -9.045 1.00 2.26 C ATOM 634 NZ LYS A 48 -7.838 2.568 -8.773 1.00 2.97 N ATOM 0 H LYS A 48 -2.345 0.714 -8.139 1.00 0.49 H new ATOM 0 HA LYS A 48 -2.529 0.221 -11.039 1.00 0.60 H new ATOM 0 HB2 LYS A 48 -3.803 2.464 -10.901 1.00 0.76 H new ATOM 0 HB3 LYS A 48 -4.621 1.036 -10.299 1.00 0.76 H new ATOM 0 HG2 LYS A 48 -3.882 1.677 -7.970 1.00 0.94 H new ATOM 0 HG3 LYS A 48 -3.245 3.169 -8.634 1.00 0.94 H new ATOM 0 HD2 LYS A 48 -5.556 3.406 -7.679 1.00 1.43 H new ATOM 0 HD3 LYS A 48 -5.445 3.886 -9.361 1.00 1.43 H new ATOM 0 HE2 LYS A 48 -6.399 1.767 -10.100 1.00 2.26 H new ATOM 0 HE3 LYS A 48 -6.332 1.114 -8.475 1.00 2.26 H new ATOM 0 HZ1 LYS A 48 -8.551 1.856 -9.030 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 -7.925 2.796 -7.762 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 -7.990 3.429 -9.336 1.00 2.97 H new ATOM 648 N ASP A 49 -0.666 2.335 -9.437 1.00 0.45 N ATOM 649 CA ASP A 49 0.408 3.307 -9.600 1.00 0.50 C ATOM 650 C ASP A 49 1.756 2.641 -9.343 1.00 0.40 C ATOM 651 O ASP A 49 2.796 3.295 -9.293 1.00 0.40 O ATOM 652 CB ASP A 49 0.188 4.494 -8.651 1.00 0.68 C ATOM 653 CG ASP A 49 1.009 5.719 -9.025 1.00 1.09 C ATOM 654 OD1 ASP A 49 1.335 5.884 -10.218 1.00 1.83 O ATOM 655 OD2 ASP A 49 1.294 6.548 -8.130 1.00 1.58 O ATOM 0 H ASP A 49 -0.842 2.050 -8.474 1.00 0.45 H new ATOM 0 HA ASP A 49 0.404 3.683 -10.623 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -0.869 4.759 -8.650 1.00 0.68 H new ATOM 0 HB3 ASP A 49 0.441 4.191 -7.635 1.00 0.68 H new ATOM 660 N LYS A 50 1.722 1.318 -9.203 1.00 0.37 N ATOM 661 CA LYS A 50 2.909 0.520 -8.951 1.00 0.35 C ATOM 662 C LYS A 50 3.972 0.712 -10.030 1.00 0.35 C ATOM 663 O LYS A 50 5.132 0.882 -9.692 1.00 0.35 O ATOM 664 CB LYS A 50 2.553 -0.958 -8.857 1.00 0.39 C ATOM 665 CG LYS A 50 3.633 -1.781 -8.189 1.00 0.48 C ATOM 666 CD LYS A 50 3.397 -3.262 -8.365 1.00 0.63 C ATOM 667 CE LYS A 50 4.406 -4.063 -7.571 1.00 0.80 C ATOM 668 NZ LYS A 50 4.650 -5.402 -8.156 1.00 1.13 N ATOM 0 H LYS A 50 0.863 0.771 -9.262 1.00 0.37 H new ATOM 0 HA LYS A 50 3.321 0.862 -8.002 1.00 0.35 H new ATOM 0 HB2 LYS A 50 1.622 -1.068 -8.300 1.00 0.39 H new ATOM 0 HB3 LYS A 50 2.373 -1.348 -9.859 1.00 0.39 H new ATOM 0 HG2 LYS A 50 4.604 -1.515 -8.607 1.00 0.48 H new ATOM 0 HG3 LYS A 50 3.667 -1.542 -7.126 1.00 0.48 H new ATOM 0 HD2 LYS A 50 2.388 -3.515 -8.041 1.00 0.63 H new ATOM 0 HD3 LYS A 50 3.467 -3.524 -9.421 1.00 0.63 H new ATOM 0 HE2 LYS A 50 5.346 -3.513 -7.524 1.00 0.80 H new ATOM 0 HE3 LYS A 50 4.051 -4.176 -6.547 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 4.202 -6.128 -7.561 1.00 1.13 H new ATOM 0 HZ2 LYS A 50 4.246 -5.441 -9.114 1.00 1.13 H new ATOM 0 HZ3 LYS A 50 5.674 -5.578 -8.204 1.00 1.13 H new ATOM 682 N PRO A 51 3.608 0.675 -11.342 1.00 0.39 N ATOM 683 CA PRO A 51 4.572 0.855 -12.435 1.00 0.43 C ATOM 684 C PRO A 51 5.449 2.088 -12.252 1.00 0.37 C ATOM 685 O PRO A 51 6.590 2.107 -12.698 1.00 0.36 O ATOM 686 CB PRO A 51 3.701 1.002 -13.691 1.00 0.56 C ATOM 687 CG PRO A 51 2.299 1.137 -13.199 1.00 0.55 C ATOM 688 CD PRO A 51 2.258 0.432 -11.878 1.00 0.45 C ATOM 0 HA PRO A 51 5.267 0.017 -12.485 1.00 0.43 H new ATOM 0 HB2 PRO A 51 3.997 1.875 -14.272 1.00 0.56 H new ATOM 0 HB3 PRO A 51 3.805 0.135 -14.343 1.00 0.56 H new ATOM 0 HG2 PRO A 51 2.022 2.186 -13.091 1.00 0.55 H new ATOM 0 HG3 PRO A 51 1.594 0.692 -13.901 1.00 0.55 H new ATOM 0 HD2 PRO A 51 1.484 0.837 -11.226 1.00 0.45 H new ATOM 0 HD3 PRO A 51 2.053 -0.632 -11.993 1.00 0.45 H new ATOM 696 N THR A 52 4.922 3.095 -11.567 1.00 0.36 N ATOM 697 CA THR A 52 5.661 4.320 -11.314 1.00 0.36 C ATOM 698 C THR A 52 6.756 4.063 -10.279 1.00 0.29 C ATOM 699 O THR A 52 7.909 4.491 -10.416 1.00 0.32 O ATOM 700 CB THR A 52 4.711 5.418 -10.798 1.00 0.44 C ATOM 701 OG1 THR A 52 3.528 5.461 -11.613 1.00 0.60 O ATOM 702 CG2 THR A 52 5.388 6.784 -10.809 1.00 0.50 C ATOM 0 H THR A 52 3.980 3.084 -11.176 1.00 0.36 H new ATOM 0 HA THR A 52 6.116 4.653 -12.247 1.00 0.36 H new ATOM 0 HB THR A 52 4.442 5.177 -9.770 1.00 0.44 H new ATOM 0 HG1 THR A 52 2.803 5.893 -11.115 1.00 0.60 H new ATOM 0 HG21 THR A 52 4.693 7.538 -10.440 1.00 0.50 H new ATOM 0 HG22 THR A 52 6.269 6.758 -10.168 1.00 0.50 H new ATOM 0 HG23 THR A 52 5.687 7.034 -11.827 1.00 0.50 H new ATOM 710 N TYR A 53 6.396 3.313 -9.260 1.00 0.25 N ATOM 711 CA TYR A 53 7.311 3.028 -8.174 1.00 0.24 C ATOM 712 C TYR A 53 8.274 1.922 -8.589 1.00 0.22 C ATOM 713 O TYR A 53 9.398 1.841 -8.095 1.00 0.24 O ATOM 714 CB TYR A 53 6.519 2.585 -6.949 1.00 0.27 C ATOM 715 CG TYR A 53 5.289 3.421 -6.649 1.00 0.31 C ATOM 716 CD1 TYR A 53 5.345 4.809 -6.605 1.00 0.81 C ATOM 717 CD2 TYR A 53 4.067 2.809 -6.401 1.00 0.64 C ATOM 718 CE1 TYR A 53 4.220 5.558 -6.324 1.00 0.94 C ATOM 719 CE2 TYR A 53 2.940 3.551 -6.118 1.00 0.68 C ATOM 720 CZ TYR A 53 3.022 4.924 -6.078 1.00 0.62 C ATOM 721 OH TYR A 53 1.898 5.666 -5.804 1.00 0.79 O ATOM 0 H TYR A 53 5.474 2.888 -9.160 1.00 0.25 H new ATOM 0 HA TYR A 53 7.880 3.926 -7.934 1.00 0.24 H new ATOM 0 HB2 TYR A 53 6.211 1.549 -7.088 1.00 0.27 H new ATOM 0 HB3 TYR A 53 7.177 2.608 -6.081 1.00 0.27 H new ATOM 0 HD1 TYR A 53 6.283 5.309 -6.794 1.00 0.81 H new ATOM 0 HD2 TYR A 53 3.998 1.732 -6.430 1.00 0.64 H new ATOM 0 HE1 TYR A 53 4.279 6.636 -6.297 1.00 0.94 H new ATOM 0 HE2 TYR A 53 1.998 3.057 -5.929 1.00 0.68 H new ATOM 0 HH TYR A 53 1.772 6.340 -6.504 1.00 0.79 H new ATOM 731 N ASP A 54 7.834 1.110 -9.541 1.00 0.21 N ATOM 732 CA ASP A 54 8.648 0.018 -10.073 1.00 0.23 C ATOM 733 C ASP A 54 9.629 0.540 -11.126 1.00 0.22 C ATOM 734 O ASP A 54 10.759 0.059 -11.236 1.00 0.23 O ATOM 735 CB ASP A 54 7.733 -1.051 -10.682 1.00 0.31 C ATOM 736 CG ASP A 54 8.487 -2.138 -11.419 1.00 0.58 C ATOM 737 OD1 ASP A 54 8.944 -3.098 -10.758 1.00 1.16 O ATOM 738 OD2 ASP A 54 8.647 -2.035 -12.649 1.00 1.14 O ATOM 0 H ASP A 54 6.910 1.186 -9.966 1.00 0.21 H new ATOM 0 HA ASP A 54 9.226 -0.422 -9.260 1.00 0.23 H new ATOM 0 HB2 ASP A 54 7.139 -1.505 -9.889 1.00 0.31 H new ATOM 0 HB3 ASP A 54 7.035 -0.573 -11.369 1.00 0.31 H new ATOM 743 N GLU A 55 9.209 1.544 -11.891 1.00 0.24 N ATOM 744 CA GLU A 55 10.099 2.148 -12.874 1.00 0.28 C ATOM 745 C GLU A 55 11.242 2.851 -12.169 1.00 0.29 C ATOM 746 O GLU A 55 12.386 2.753 -12.597 1.00 0.35 O ATOM 747 CB GLU A 55 9.347 3.105 -13.802 1.00 0.35 C ATOM 748 CG GLU A 55 8.784 4.333 -13.115 1.00 0.40 C ATOM 749 CD GLU A 55 7.964 5.188 -14.051 1.00 0.88 C ATOM 750 OE1 GLU A 55 8.556 6.007 -14.786 1.00 1.38 O ATOM 751 OE2 GLU A 55 6.726 5.034 -14.076 1.00 1.63 O ATOM 0 H GLU A 55 8.274 1.950 -11.850 1.00 0.24 H new ATOM 0 HA GLU A 55 10.508 1.355 -13.501 1.00 0.28 H new ATOM 0 HB2 GLU A 55 10.021 3.425 -14.596 1.00 0.35 H new ATOM 0 HB3 GLU A 55 8.529 2.563 -14.277 1.00 0.35 H new ATOM 0 HG2 GLU A 55 8.165 4.024 -12.273 1.00 0.40 H new ATOM 0 HG3 GLU A 55 9.603 4.926 -12.708 1.00 0.40 H new ATOM 758 N ILE A 56 10.947 3.532 -11.068 1.00 0.27 N ATOM 759 CA ILE A 56 12.009 4.134 -10.275 1.00 0.30 C ATOM 760 C ILE A 56 12.827 3.033 -9.590 1.00 0.27 C ATOM 761 O ILE A 56 14.027 3.178 -9.366 1.00 0.30 O ATOM 762 CB ILE A 56 11.446 5.111 -9.225 1.00 0.34 C ATOM 763 CG1 ILE A 56 10.517 6.116 -9.908 1.00 0.42 C ATOM 764 CG2 ILE A 56 12.579 5.837 -8.511 1.00 0.36 C ATOM 765 CD1 ILE A 56 9.727 6.964 -8.939 1.00 0.61 C ATOM 0 H ILE A 56 10.003 3.679 -10.711 1.00 0.27 H new ATOM 0 HA ILE A 56 12.653 4.705 -10.944 1.00 0.30 H new ATOM 0 HB ILE A 56 10.881 4.548 -8.482 1.00 0.34 H new ATOM 0 HG12 ILE A 56 11.110 6.768 -10.549 1.00 0.42 H new ATOM 0 HG13 ILE A 56 9.824 5.577 -10.554 1.00 0.42 H new ATOM 0 HG21 ILE A 56 12.163 6.523 -7.773 1.00 0.36 H new ATOM 0 HG22 ILE A 56 13.219 5.110 -8.011 1.00 0.36 H new ATOM 0 HG23 ILE A 56 13.166 6.398 -9.238 1.00 0.36 H new ATOM 0 HD11 ILE A 56 9.090 7.653 -9.494 1.00 0.61 H new ATOM 0 HD12 ILE A 56 9.107 6.321 -8.314 1.00 0.61 H new ATOM 0 HD13 ILE A 56 10.412 7.531 -8.309 1.00 0.61 H new ATOM 777 N PHE A 57 12.160 1.920 -9.307 1.00 0.24 N ATOM 778 CA PHE A 57 12.785 0.753 -8.684 1.00 0.22 C ATOM 779 C PHE A 57 13.945 0.222 -9.528 1.00 0.24 C ATOM 780 O PHE A 57 15.082 0.158 -9.059 1.00 0.32 O ATOM 781 CB PHE A 57 11.728 -0.336 -8.465 1.00 0.20 C ATOM 782 CG PHE A 57 12.262 -1.643 -7.955 1.00 0.19 C ATOM 783 CD1 PHE A 57 12.742 -1.751 -6.664 1.00 0.83 C ATOM 784 CD2 PHE A 57 12.266 -2.765 -8.763 1.00 0.85 C ATOM 785 CE1 PHE A 57 13.221 -2.954 -6.191 1.00 0.83 C ATOM 786 CE2 PHE A 57 12.740 -3.975 -8.293 1.00 0.88 C ATOM 787 CZ PHE A 57 13.216 -4.068 -7.003 1.00 0.28 C ATOM 0 H PHE A 57 11.166 1.798 -9.503 1.00 0.24 H new ATOM 0 HA PHE A 57 13.198 1.053 -7.721 1.00 0.22 H new ATOM 0 HB2 PHE A 57 10.985 0.036 -7.760 1.00 0.20 H new ATOM 0 HB3 PHE A 57 11.211 -0.515 -9.408 1.00 0.20 H new ATOM 0 HD1 PHE A 57 12.742 -0.885 -6.019 1.00 0.83 H new ATOM 0 HD2 PHE A 57 11.894 -2.695 -9.774 1.00 0.85 H new ATOM 0 HE1 PHE A 57 13.601 -3.024 -5.182 1.00 0.83 H new ATOM 0 HE2 PHE A 57 12.737 -4.844 -8.934 1.00 0.88 H new ATOM 0 HZ PHE A 57 13.584 -5.012 -6.629 1.00 0.28 H new ATOM 797 N TYR A 58 13.665 -0.144 -10.777 1.00 0.26 N ATOM 798 CA TYR A 58 14.704 -0.654 -11.678 1.00 0.29 C ATOM 799 C TYR A 58 15.709 0.439 -12.019 1.00 0.33 C ATOM 800 O TYR A 58 16.857 0.159 -12.359 1.00 0.37 O ATOM 801 CB TYR A 58 14.095 -1.215 -12.970 1.00 0.33 C ATOM 802 CG TYR A 58 13.393 -2.541 -12.795 1.00 0.34 C ATOM 803 CD1 TYR A 58 12.166 -2.614 -12.162 1.00 0.88 C ATOM 804 CD2 TYR A 58 13.961 -3.721 -13.262 1.00 1.00 C ATOM 805 CE1 TYR A 58 11.519 -3.818 -11.998 1.00 0.92 C ATOM 806 CE2 TYR A 58 13.318 -4.932 -13.104 1.00 1.03 C ATOM 807 CZ TYR A 58 12.098 -4.975 -12.466 1.00 0.50 C ATOM 808 OH TYR A 58 11.448 -6.176 -12.302 1.00 0.61 O ATOM 0 H TYR A 58 12.733 -0.099 -11.190 1.00 0.26 H new ATOM 0 HA TYR A 58 15.218 -1.461 -11.157 1.00 0.29 H new ATOM 0 HB2 TYR A 58 13.386 -0.490 -13.369 1.00 0.33 H new ATOM 0 HB3 TYR A 58 14.885 -1.329 -13.712 1.00 0.33 H new ATOM 0 HD1 TYR A 58 11.707 -1.710 -11.789 1.00 0.88 H new ATOM 0 HD2 TYR A 58 14.921 -3.689 -13.756 1.00 1.00 H new ATOM 0 HE1 TYR A 58 10.560 -3.854 -11.503 1.00 0.92 H new ATOM 0 HE2 TYR A 58 13.768 -5.840 -13.478 1.00 1.03 H new ATOM 0 HH TYR A 58 11.989 -6.896 -12.688 1.00 0.61 H new ATOM 818 N THR A 59 15.280 1.681 -11.890 1.00 0.33 N ATOM 819 CA THR A 59 16.135 2.824 -12.146 1.00 0.38 C ATOM 820 C THR A 59 17.205 2.966 -11.053 1.00 0.38 C ATOM 821 O THR A 59 18.294 3.481 -11.301 1.00 0.44 O ATOM 822 CB THR A 59 15.276 4.102 -12.256 1.00 0.40 C ATOM 823 OG1 THR A 59 14.465 4.030 -13.434 1.00 0.44 O ATOM 824 CG2 THR A 59 16.113 5.365 -12.308 1.00 0.44 C ATOM 0 H THR A 59 14.331 1.925 -11.605 1.00 0.33 H new ATOM 0 HA THR A 59 16.655 2.671 -13.092 1.00 0.38 H new ATOM 0 HB THR A 59 14.658 4.153 -11.360 1.00 0.40 H new ATOM 0 HG1 THR A 59 13.573 3.700 -13.197 1.00 0.44 H new ATOM 0 HG21 THR A 59 15.458 6.233 -12.385 1.00 0.44 H new ATOM 0 HG22 THR A 59 16.712 5.442 -11.401 1.00 0.44 H new ATOM 0 HG23 THR A 59 16.772 5.329 -13.176 1.00 0.44 H new ATOM 832 N LEU A 60 16.909 2.468 -9.857 1.00 0.33 N ATOM 833 CA LEU A 60 17.858 2.542 -8.745 1.00 0.35 C ATOM 834 C LEU A 60 18.813 1.350 -8.727 1.00 0.36 C ATOM 835 O LEU A 60 19.629 1.215 -7.813 1.00 0.45 O ATOM 836 CB LEU A 60 17.123 2.620 -7.405 1.00 0.35 C ATOM 837 CG LEU A 60 16.295 3.878 -7.169 1.00 0.49 C ATOM 838 CD1 LEU A 60 15.743 3.870 -5.757 1.00 0.79 C ATOM 839 CD2 LEU A 60 17.135 5.119 -7.406 1.00 0.76 C ATOM 0 H LEU A 60 16.026 2.011 -9.631 1.00 0.33 H new ATOM 0 HA LEU A 60 18.444 3.449 -8.894 1.00 0.35 H new ATOM 0 HB2 LEU A 60 16.465 1.755 -7.323 1.00 0.35 H new ATOM 0 HB3 LEU A 60 17.858 2.537 -6.605 1.00 0.35 H new ATOM 0 HG LEU A 60 15.463 3.892 -7.873 1.00 0.49 H new ATOM 0 HD11 LEU A 60 15.152 4.771 -5.592 1.00 0.79 H new ATOM 0 HD12 LEU A 60 15.113 2.992 -5.618 1.00 0.79 H new ATOM 0 HD13 LEU A 60 16.567 3.842 -5.044 1.00 0.79 H new ATOM 0 HD21 LEU A 60 16.528 6.008 -7.233 1.00 0.76 H new ATOM 0 HD22 LEU A 60 17.983 5.120 -6.722 1.00 0.76 H new ATOM 0 HD23 LEU A 60 17.498 5.122 -8.434 1.00 0.76 H new ATOM 851 N SER A 61 18.702 0.498 -9.742 1.00 0.33 N ATOM 852 CA SER A 61 19.554 -0.681 -9.884 1.00 0.36 C ATOM 853 C SER A 61 19.297 -1.682 -8.750 1.00 0.33 C ATOM 854 O SER A 61 20.013 -1.707 -7.746 1.00 0.37 O ATOM 855 CB SER A 61 21.037 -0.280 -9.936 1.00 0.45 C ATOM 856 OG SER A 61 21.874 -1.392 -10.226 1.00 0.64 O ATOM 0 H SER A 61 18.018 0.605 -10.491 1.00 0.33 H new ATOM 0 HA SER A 61 19.302 -1.168 -10.826 1.00 0.36 H new ATOM 0 HB2 SER A 61 21.179 0.490 -10.695 1.00 0.45 H new ATOM 0 HB3 SER A 61 21.330 0.156 -8.981 1.00 0.45 H new ATOM 0 HG SER A 61 22.809 -1.100 -10.253 1.00 0.64 H new ATOM 862 N PRO A 62 18.239 -2.497 -8.887 1.00 0.29 N ATOM 863 CA PRO A 62 17.892 -3.513 -7.898 1.00 0.31 C ATOM 864 C PRO A 62 18.708 -4.795 -8.042 1.00 0.32 C ATOM 865 O PRO A 62 19.178 -5.132 -9.128 1.00 0.46 O ATOM 866 CB PRO A 62 16.420 -3.790 -8.193 1.00 0.37 C ATOM 867 CG PRO A 62 16.261 -3.517 -9.651 1.00 0.36 C ATOM 868 CD PRO A 62 17.284 -2.469 -10.009 1.00 0.29 C ATOM 0 HA PRO A 62 18.094 -3.171 -6.883 1.00 0.31 H new ATOM 0 HB2 PRO A 62 16.156 -4.820 -7.953 1.00 0.37 H new ATOM 0 HB3 PRO A 62 15.770 -3.148 -7.598 1.00 0.37 H new ATOM 0 HG2 PRO A 62 16.416 -4.425 -10.234 1.00 0.36 H new ATOM 0 HG3 PRO A 62 15.253 -3.165 -9.871 1.00 0.36 H new ATOM 0 HD2 PRO A 62 17.774 -2.698 -10.955 1.00 0.29 H new ATOM 0 HD3 PRO A 62 16.826 -1.486 -10.117 1.00 0.29 H new ATOM 876 N VAL A 63 18.872 -5.503 -6.936 1.00 0.33 N ATOM 877 CA VAL A 63 19.547 -6.781 -6.927 1.00 0.42 C ATOM 878 C VAL A 63 18.612 -7.868 -6.408 1.00 0.44 C ATOM 879 O VAL A 63 18.001 -7.719 -5.352 1.00 0.45 O ATOM 880 CB VAL A 63 20.830 -6.742 -6.068 1.00 0.58 C ATOM 881 CG1 VAL A 63 21.903 -5.896 -6.732 1.00 1.33 C ATOM 882 CG2 VAL A 63 20.543 -6.210 -4.672 1.00 1.28 C ATOM 0 H VAL A 63 18.538 -5.203 -6.020 1.00 0.33 H new ATOM 0 HA VAL A 63 19.835 -7.008 -7.954 1.00 0.42 H new ATOM 0 HB VAL A 63 21.194 -7.766 -5.980 1.00 0.58 H new ATOM 0 HG11 VAL A 63 22.796 -5.885 -6.107 1.00 1.33 H new ATOM 0 HG12 VAL A 63 22.148 -6.318 -7.707 1.00 1.33 H new ATOM 0 HG13 VAL A 63 21.536 -4.877 -6.859 1.00 1.33 H new ATOM 0 HG21 VAL A 63 21.466 -6.195 -4.092 1.00 1.28 H new ATOM 0 HG22 VAL A 63 20.142 -5.199 -4.743 1.00 1.28 H new ATOM 0 HG23 VAL A 63 19.815 -6.855 -4.179 1.00 1.28 H new ATOM 892 N ASN A 64 18.476 -8.932 -7.190 1.00 0.54 N ATOM 893 CA ASN A 64 17.644 -10.083 -6.830 1.00 0.63 C ATOM 894 C ASN A 64 16.182 -9.685 -6.647 1.00 0.55 C ATOM 895 O ASN A 64 15.422 -10.374 -5.967 1.00 0.60 O ATOM 896 CB ASN A 64 18.161 -10.768 -5.557 1.00 0.71 C ATOM 897 CG ASN A 64 19.566 -11.311 -5.705 1.00 1.08 C ATOM 898 OD1 ASN A 64 19.769 -12.393 -6.256 1.00 1.42 O ATOM 899 ND2 ASN A 64 20.539 -10.600 -5.160 1.00 1.67 N ATOM 0 H ASN A 64 18.939 -9.025 -8.094 1.00 0.54 H new ATOM 0 HA ASN A 64 17.707 -10.789 -7.658 1.00 0.63 H new ATOM 0 HB2 ASN A 64 18.138 -10.055 -4.733 1.00 0.71 H new ATOM 0 HB3 ASN A 64 17.488 -11.584 -5.292 1.00 0.71 H new ATOM 0 HD21 ASN A 64 21.499 -10.944 -5.187 1.00 1.67 H new ATOM 0 HD22 ASN A 64 20.330 -9.708 -4.713 1.00 1.67 H new ATOM 906 N GLY A 65 15.786 -8.580 -7.268 1.00 0.49 N ATOM 907 CA GLY A 65 14.406 -8.151 -7.207 1.00 0.50 C ATOM 908 C GLY A 65 14.122 -7.243 -6.026 1.00 0.39 C ATOM 909 O GLY A 65 13.008 -7.219 -5.516 1.00 0.49 O ATOM 0 H GLY A 65 16.399 -7.974 -7.813 1.00 0.49 H new ATOM 0 HA2 GLY A 65 14.152 -7.629 -8.130 1.00 0.50 H new ATOM 0 HA3 GLY A 65 13.761 -9.027 -7.149 1.00 0.50 H new ATOM 913 N LYS A 66 15.145 -6.535 -5.561 1.00 0.33 N ATOM 914 CA LYS A 66 14.982 -5.522 -4.522 1.00 0.26 C ATOM 915 C LYS A 66 16.158 -4.573 -4.535 1.00 0.21 C ATOM 916 O LYS A 66 17.273 -4.955 -4.876 1.00 0.27 O ATOM 917 CB LYS A 66 14.831 -6.125 -3.112 1.00 0.30 C ATOM 918 CG LYS A 66 15.962 -7.049 -2.688 1.00 0.75 C ATOM 919 CD LYS A 66 15.816 -8.396 -3.349 1.00 0.61 C ATOM 920 CE LYS A 66 14.606 -9.142 -2.812 1.00 1.21 C ATOM 921 NZ LYS A 66 13.792 -9.760 -3.895 1.00 1.82 N ATOM 0 H LYS A 66 16.104 -6.645 -5.890 1.00 0.33 H new ATOM 0 HA LYS A 66 14.059 -4.989 -4.749 1.00 0.26 H new ATOM 0 HB2 LYS A 66 14.756 -5.311 -2.391 1.00 0.30 H new ATOM 0 HB3 LYS A 66 13.893 -6.678 -3.067 1.00 0.30 H new ATOM 0 HG2 LYS A 66 16.921 -6.607 -2.957 1.00 0.75 H new ATOM 0 HG3 LYS A 66 15.958 -7.166 -1.604 1.00 0.75 H new ATOM 0 HD2 LYS A 66 15.718 -8.267 -4.427 1.00 0.61 H new ATOM 0 HD3 LYS A 66 16.716 -8.987 -3.179 1.00 0.61 H new ATOM 0 HE2 LYS A 66 14.938 -9.919 -2.123 1.00 1.21 H new ATOM 0 HE3 LYS A 66 13.983 -8.454 -2.241 1.00 1.21 H new ATOM 0 HZ1 LYS A 66 13.212 -10.527 -3.499 1.00 1.82 H new ATOM 0 HZ2 LYS A 66 13.172 -9.040 -4.317 1.00 1.82 H new ATOM 0 HZ3 LYS A 66 14.423 -10.146 -4.626 1.00 1.82 H new ATOM 935 N ILE A 67 15.903 -3.338 -4.174 1.00 0.18 N ATOM 936 CA ILE A 67 16.955 -2.348 -4.110 1.00 0.20 C ATOM 937 C ILE A 67 17.642 -2.410 -2.762 1.00 0.19 C ATOM 938 O ILE A 67 16.979 -2.461 -1.727 1.00 0.21 O ATOM 939 CB ILE A 67 16.419 -0.921 -4.357 1.00 0.25 C ATOM 940 CG1 ILE A 67 15.120 -0.707 -3.581 1.00 0.29 C ATOM 941 CG2 ILE A 67 16.204 -0.687 -5.846 1.00 0.41 C ATOM 942 CD1 ILE A 67 14.468 0.624 -3.838 1.00 0.35 C ATOM 0 H ILE A 67 14.977 -2.993 -3.920 1.00 0.18 H new ATOM 0 HA ILE A 67 17.670 -2.577 -4.900 1.00 0.20 H new ATOM 0 HB ILE A 67 17.156 -0.200 -4.002 1.00 0.25 H new ATOM 0 HG12 ILE A 67 14.419 -1.500 -3.840 1.00 0.29 H new ATOM 0 HG13 ILE A 67 15.326 -0.800 -2.515 1.00 0.29 H new ATOM 0 HG21 ILE A 67 15.826 0.323 -6.005 1.00 0.41 H new ATOM 0 HG22 ILE A 67 17.150 -0.807 -6.374 1.00 0.41 H new ATOM 0 HG23 ILE A 67 15.482 -1.409 -6.227 1.00 0.41 H new ATOM 0 HD11 ILE A 67 13.552 0.700 -3.251 1.00 0.35 H new ATOM 0 HD12 ILE A 67 15.150 1.425 -3.551 1.00 0.35 H new ATOM 0 HD13 ILE A 67 14.229 0.713 -4.898 1.00 0.35 H new ATOM 954 N THR A 68 18.968 -2.444 -2.781 1.00 0.24 N ATOM 955 CA THR A 68 19.742 -2.391 -1.557 1.00 0.30 C ATOM 956 C THR A 68 19.420 -1.095 -0.831 1.00 0.36 C ATOM 957 O THR A 68 19.780 -0.022 -1.299 1.00 0.70 O ATOM 958 CB THR A 68 21.244 -2.481 -1.859 1.00 0.44 C ATOM 959 OG1 THR A 68 21.533 -1.761 -3.066 1.00 0.65 O ATOM 960 CG2 THR A 68 21.682 -3.929 -2.011 1.00 0.55 C ATOM 0 H THR A 68 19.526 -2.508 -3.632 1.00 0.24 H new ATOM 0 HA THR A 68 19.481 -3.240 -0.925 1.00 0.30 H new ATOM 0 HB THR A 68 21.792 -2.042 -1.025 1.00 0.44 H new ATOM 0 HG1 THR A 68 21.071 -0.897 -3.050 1.00 0.65 H new ATOM 0 HG21 THR A 68 22.750 -3.965 -2.225 1.00 0.55 H new ATOM 0 HG22 THR A 68 21.478 -4.470 -1.087 1.00 0.55 H new ATOM 0 HG23 THR A 68 21.132 -4.391 -2.831 1.00 0.55 H new ATOM 968 N GLY A 69 18.761 -1.235 0.320 1.00 0.29 N ATOM 969 CA GLY A 69 18.012 -0.152 0.949 1.00 0.31 C ATOM 970 C GLY A 69 18.663 1.215 0.948 1.00 0.31 C ATOM 971 O GLY A 69 17.958 2.207 0.988 1.00 0.38 O ATOM 0 H GLY A 69 18.733 -2.110 0.844 1.00 0.29 H new ATOM 0 HA2 GLY A 69 17.047 -0.070 0.448 1.00 0.31 H new ATOM 0 HA3 GLY A 69 17.812 -0.433 1.983 1.00 0.31 H new ATOM 975 N ALA A 70 19.981 1.279 0.914 1.00 0.33 N ATOM 976 CA ALA A 70 20.686 2.559 0.817 1.00 0.37 C ATOM 977 C ALA A 70 20.135 3.448 -0.317 1.00 0.35 C ATOM 978 O ALA A 70 20.148 4.675 -0.214 1.00 0.39 O ATOM 979 CB ALA A 70 22.169 2.320 0.604 1.00 0.44 C ATOM 0 H ALA A 70 20.592 0.463 0.952 1.00 0.33 H new ATOM 0 HA ALA A 70 20.525 3.088 1.757 1.00 0.37 H new ATOM 0 HB1 ALA A 70 22.685 3.277 0.533 1.00 0.44 H new ATOM 0 HB2 ALA A 70 22.570 1.753 1.444 1.00 0.44 H new ATOM 0 HB3 ALA A 70 22.318 1.758 -0.318 1.00 0.44 H new ATOM 985 N ASN A 71 19.638 2.823 -1.383 1.00 0.35 N ATOM 986 CA ASN A 71 19.101 3.554 -2.536 1.00 0.37 C ATOM 987 C ASN A 71 17.671 4.025 -2.285 1.00 0.34 C ATOM 988 O ASN A 71 17.291 5.123 -2.681 1.00 0.34 O ATOM 989 CB ASN A 71 19.157 2.695 -3.804 1.00 0.47 C ATOM 990 CG ASN A 71 18.628 1.294 -3.608 1.00 1.01 C ATOM 991 OD1 ASN A 71 17.752 1.046 -2.785 1.00 2.11 O ATOM 992 ND2 ASN A 71 19.185 0.354 -4.349 1.00 1.00 N ATOM 0 H ASN A 71 19.595 1.808 -1.475 1.00 0.35 H new ATOM 0 HA ASN A 71 19.728 4.434 -2.680 1.00 0.37 H new ATOM 0 HB2 ASN A 71 18.583 3.185 -4.590 1.00 0.47 H new ATOM 0 HB3 ASN A 71 20.189 2.640 -4.150 1.00 0.47 H new ATOM 0 HD21 ASN A 71 18.890 -0.617 -4.248 1.00 1.00 H new ATOM 0 HD22 ASN A 71 19.911 0.599 -5.023 1.00 1.00 H new ATOM 999 N ALA A 72 16.882 3.195 -1.622 1.00 0.35 N ATOM 1000 CA ALA A 72 15.522 3.560 -1.266 1.00 0.35 C ATOM 1001 C ALA A 72 15.557 4.638 -0.209 1.00 0.31 C ATOM 1002 O ALA A 72 14.720 5.539 -0.182 1.00 0.30 O ATOM 1003 CB ALA A 72 14.765 2.343 -0.772 1.00 0.42 C ATOM 0 H ALA A 72 17.162 2.262 -1.319 1.00 0.35 H new ATOM 0 HA ALA A 72 15.004 3.943 -2.145 1.00 0.35 H new ATOM 0 HB1 ALA A 72 13.747 2.630 -0.508 1.00 0.42 H new ATOM 0 HB2 ALA A 72 14.737 1.588 -1.558 1.00 0.42 H new ATOM 0 HB3 ALA A 72 15.266 1.935 0.106 1.00 0.42 H new ATOM 1009 N LYS A 73 16.559 4.539 0.651 1.00 0.31 N ATOM 1010 CA LYS A 73 16.803 5.558 1.658 1.00 0.31 C ATOM 1011 C LYS A 73 17.161 6.857 0.964 1.00 0.29 C ATOM 1012 O LYS A 73 16.717 7.926 1.362 1.00 0.30 O ATOM 1013 CB LYS A 73 17.930 5.145 2.611 1.00 0.37 C ATOM 1014 CG LYS A 73 17.625 3.899 3.423 1.00 0.39 C ATOM 1015 CD LYS A 73 16.309 4.030 4.167 1.00 0.44 C ATOM 1016 CE LYS A 73 16.425 4.900 5.409 1.00 0.85 C ATOM 1017 NZ LYS A 73 17.329 4.297 6.428 1.00 1.69 N ATOM 0 H LYS A 73 17.218 3.760 0.671 1.00 0.31 H new ATOM 0 HA LYS A 73 15.899 5.686 2.253 1.00 0.31 H new ATOM 0 HB2 LYS A 73 18.838 4.976 2.032 1.00 0.37 H new ATOM 0 HB3 LYS A 73 18.136 5.970 3.293 1.00 0.37 H new ATOM 0 HG2 LYS A 73 17.586 3.033 2.762 1.00 0.39 H new ATOM 0 HG3 LYS A 73 18.431 3.721 4.135 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.559 4.454 3.499 1.00 0.44 H new ATOM 0 HD3 LYS A 73 15.957 3.039 4.453 1.00 0.44 H new ATOM 0 HE2 LYS A 73 16.800 5.884 5.129 1.00 0.85 H new ATOM 0 HE3 LYS A 73 15.436 5.047 5.843 1.00 0.85 H new ATOM 0 HZ1 LYS A 73 17.141 4.726 7.356 1.00 1.69 H new ATOM 0 HZ2 LYS A 73 17.159 3.272 6.480 1.00 1.69 H new ATOM 0 HZ3 LYS A 73 18.319 4.471 6.160 1.00 1.69 H new ATOM 1031 N LYS A 74 17.939 6.735 -0.104 1.00 0.31 N ATOM 1032 CA LYS A 74 18.337 7.874 -0.916 1.00 0.34 C ATOM 1033 C LYS A 74 17.103 8.614 -1.400 1.00 0.31 C ATOM 1034 O LYS A 74 17.007 9.835 -1.277 1.00 0.33 O ATOM 1035 CB LYS A 74 19.136 7.390 -2.128 1.00 0.44 C ATOM 1036 CG LYS A 74 20.003 8.461 -2.753 1.00 0.83 C ATOM 1037 CD LYS A 74 21.150 8.824 -1.832 1.00 1.02 C ATOM 1038 CE LYS A 74 22.071 7.635 -1.584 1.00 0.96 C ATOM 1039 NZ LYS A 74 22.772 7.196 -2.821 1.00 1.35 N ATOM 0 H LYS A 74 18.311 5.843 -0.430 1.00 0.31 H new ATOM 0 HA LYS A 74 18.953 8.542 -0.313 1.00 0.34 H new ATOM 0 HB2 LYS A 74 19.768 6.555 -1.825 1.00 0.44 H new ATOM 0 HB3 LYS A 74 18.444 7.011 -2.880 1.00 0.44 H new ATOM 0 HG2 LYS A 74 20.394 8.109 -3.708 1.00 0.83 H new ATOM 0 HG3 LYS A 74 19.403 9.347 -2.961 1.00 0.83 H new ATOM 0 HD2 LYS A 74 21.722 9.643 -2.268 1.00 1.02 H new ATOM 0 HD3 LYS A 74 20.754 9.182 -0.882 1.00 1.02 H new ATOM 0 HE2 LYS A 74 22.808 7.901 -0.826 1.00 0.96 H new ATOM 0 HE3 LYS A 74 21.489 6.804 -1.185 1.00 0.96 H new ATOM 0 HZ1 LYS A 74 23.485 6.478 -2.580 1.00 1.35 H new ATOM 0 HZ2 LYS A 74 22.082 6.790 -3.485 1.00 1.35 H new ATOM 0 HZ3 LYS A 74 23.240 8.013 -3.264 1.00 1.35 H new ATOM 1053 N GLU A 75 16.161 7.847 -1.934 1.00 0.34 N ATOM 1054 CA GLU A 75 14.910 8.404 -2.459 1.00 0.38 C ATOM 1055 C GLU A 75 14.107 9.130 -1.379 1.00 0.34 C ATOM 1056 O GLU A 75 13.727 10.297 -1.546 1.00 0.38 O ATOM 1057 CB GLU A 75 14.049 7.324 -3.133 1.00 0.47 C ATOM 1058 CG GLU A 75 14.693 6.711 -4.371 1.00 0.62 C ATOM 1059 CD GLU A 75 15.474 7.730 -5.195 1.00 0.96 C ATOM 1060 OE1 GLU A 75 14.855 8.455 -6.001 1.00 1.48 O ATOM 1061 OE2 GLU A 75 16.713 7.824 -5.028 1.00 1.36 O ATOM 0 H GLU A 75 16.235 6.833 -2.017 1.00 0.34 H new ATOM 0 HA GLU A 75 15.191 9.138 -3.215 1.00 0.38 H new ATOM 0 HB2 GLU A 75 13.844 6.533 -2.412 1.00 0.47 H new ATOM 0 HB3 GLU A 75 13.089 7.759 -3.411 1.00 0.47 H new ATOM 0 HG2 GLU A 75 15.362 5.907 -4.067 1.00 0.62 H new ATOM 0 HG3 GLU A 75 13.919 6.263 -4.994 1.00 0.62 H new ATOM 1068 N MET A 76 13.864 8.460 -0.262 1.00 0.31 N ATOM 1069 CA MET A 76 13.070 9.054 0.811 1.00 0.32 C ATOM 1070 C MET A 76 13.820 10.205 1.494 1.00 0.31 C ATOM 1071 O MET A 76 13.196 11.100 2.061 1.00 0.36 O ATOM 1072 CB MET A 76 12.632 7.990 1.827 1.00 0.33 C ATOM 1073 CG MET A 76 13.731 7.027 2.218 1.00 0.50 C ATOM 1074 SD MET A 76 13.198 5.811 3.444 1.00 0.65 S ATOM 1075 CE MET A 76 11.998 4.866 2.502 1.00 0.46 C ATOM 0 H MET A 76 14.199 7.515 -0.073 1.00 0.31 H new ATOM 0 HA MET A 76 12.170 9.475 0.362 1.00 0.32 H new ATOM 0 HB2 MET A 76 12.263 8.488 2.724 1.00 0.33 H new ATOM 0 HB3 MET A 76 11.798 7.425 1.410 1.00 0.33 H new ATOM 0 HG2 MET A 76 14.085 6.507 1.328 1.00 0.50 H new ATOM 0 HG3 MET A 76 14.576 7.590 2.615 1.00 0.50 H new ATOM 0 HE1 MET A 76 11.570 4.089 3.135 1.00 0.46 H new ATOM 0 HE2 MET A 76 11.205 5.528 2.154 1.00 0.46 H new ATOM 0 HE3 MET A 76 12.489 4.406 1.644 1.00 0.46 H new ATOM 1085 N VAL A 77 15.148 10.196 1.417 1.00 0.30 N ATOM 1086 CA VAL A 77 15.951 11.313 1.930 1.00 0.34 C ATOM 1087 C VAL A 77 15.832 12.528 1.012 1.00 0.37 C ATOM 1088 O VAL A 77 15.562 13.639 1.472 1.00 0.41 O ATOM 1089 CB VAL A 77 17.454 10.953 2.086 1.00 0.39 C ATOM 1090 CG1 VAL A 77 18.291 12.205 2.331 1.00 0.59 C ATOM 1091 CG2 VAL A 77 17.657 9.976 3.232 1.00 0.42 C ATOM 0 H VAL A 77 15.692 9.436 1.008 1.00 0.30 H new ATOM 0 HA VAL A 77 15.552 11.542 2.918 1.00 0.34 H new ATOM 0 HB VAL A 77 17.780 10.486 1.157 1.00 0.39 H new ATOM 0 HG11 VAL A 77 19.340 11.927 2.437 1.00 0.59 H new ATOM 0 HG12 VAL A 77 18.180 12.887 1.488 1.00 0.59 H new ATOM 0 HG13 VAL A 77 17.952 12.696 3.243 1.00 0.59 H new ATOM 0 HG21 VAL A 77 18.717 9.737 3.323 1.00 0.42 H new ATOM 0 HG22 VAL A 77 17.305 10.426 4.160 1.00 0.42 H new ATOM 0 HG23 VAL A 77 17.095 9.063 3.035 1.00 0.42 H new ATOM 1101 N LYS A 78 16.015 12.304 -0.288 1.00 0.39 N ATOM 1102 CA LYS A 78 15.987 13.387 -1.269 1.00 0.45 C ATOM 1103 C LYS A 78 14.577 13.957 -1.386 1.00 0.48 C ATOM 1104 O LYS A 78 14.362 15.005 -1.993 1.00 0.59 O ATOM 1105 CB LYS A 78 16.467 12.892 -2.635 1.00 0.54 C ATOM 1106 CG LYS A 78 15.399 12.154 -3.421 1.00 0.76 C ATOM 1107 CD LYS A 78 15.972 10.974 -4.177 1.00 0.84 C ATOM 1108 CE LYS A 78 16.966 11.376 -5.242 1.00 1.08 C ATOM 1109 NZ LYS A 78 17.238 10.246 -6.172 1.00 1.20 N ATOM 0 H LYS A 78 16.185 11.381 -0.687 1.00 0.39 H new ATOM 0 HA LYS A 78 16.661 14.174 -0.929 1.00 0.45 H new ATOM 0 HB2 LYS A 78 16.814 13.744 -3.220 1.00 0.54 H new ATOM 0 HB3 LYS A 78 17.323 12.233 -2.493 1.00 0.54 H new ATOM 0 HG2 LYS A 78 14.622 11.807 -2.740 1.00 0.76 H new ATOM 0 HG3 LYS A 78 14.925 12.840 -4.123 1.00 0.76 H new ATOM 0 HD2 LYS A 78 16.458 10.300 -3.472 1.00 0.84 H new ATOM 0 HD3 LYS A 78 15.158 10.417 -4.641 1.00 0.84 H new ATOM 0 HE2 LYS A 78 16.580 12.228 -5.802 1.00 1.08 H new ATOM 0 HE3 LYS A 78 17.896 11.698 -4.773 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 18.112 10.436 -6.703 1.00 1.20 H new ATOM 0 HZ2 LYS A 78 17.349 9.367 -5.627 1.00 1.20 H new ATOM 0 HZ3 LYS A 78 16.444 10.144 -6.836 1.00 1.20 H new ATOM 1123 N SER A 79 13.610 13.246 -0.804 1.00 0.44 N ATOM 1124 CA SER A 79 12.245 13.734 -0.728 1.00 0.51 C ATOM 1125 C SER A 79 12.170 14.943 0.217 1.00 0.55 C ATOM 1126 O SER A 79 11.145 15.629 0.286 1.00 0.64 O ATOM 1127 CB SER A 79 11.304 12.619 -0.258 1.00 0.53 C ATOM 1128 OG SER A 79 9.968 12.877 -0.661 1.00 1.37 O ATOM 0 H SER A 79 13.754 12.330 -0.380 1.00 0.44 H new ATOM 0 HA SER A 79 11.928 14.050 -1.722 1.00 0.51 H new ATOM 0 HB2 SER A 79 11.633 11.664 -0.668 1.00 0.53 H new ATOM 0 HB3 SER A 79 11.350 12.533 0.828 1.00 0.53 H new ATOM 0 HG SER A 79 9.810 12.480 -1.543 1.00 1.37 H new ATOM 1134 N LYS A 80 13.278 15.196 0.929 1.00 0.54 N ATOM 1135 CA LYS A 80 13.422 16.352 1.817 1.00 0.61 C ATOM 1136 C LYS A 80 12.605 16.169 3.086 1.00 0.62 C ATOM 1137 O LYS A 80 11.548 16.778 3.255 1.00 0.75 O ATOM 1138 CB LYS A 80 13.043 17.660 1.110 1.00 0.70 C ATOM 1139 CG LYS A 80 14.006 18.043 0.000 1.00 1.01 C ATOM 1140 CD LYS A 80 13.450 19.151 -0.881 1.00 1.31 C ATOM 1141 CE LYS A 80 12.476 18.620 -1.926 1.00 1.94 C ATOM 1142 NZ LYS A 80 11.233 18.055 -1.328 1.00 2.65 N ATOM 0 H LYS A 80 14.104 14.598 0.902 1.00 0.54 H new ATOM 0 HA LYS A 80 14.474 16.420 2.094 1.00 0.61 H new ATOM 0 HB2 LYS A 80 12.040 17.563 0.694 1.00 0.70 H new ATOM 0 HB3 LYS A 80 13.007 18.465 1.844 1.00 0.70 H new ATOM 0 HG2 LYS A 80 14.951 18.367 0.436 1.00 1.01 H new ATOM 0 HG3 LYS A 80 14.221 17.167 -0.612 1.00 1.01 H new ATOM 0 HD2 LYS A 80 12.945 19.890 -0.258 1.00 1.31 H new ATOM 0 HD3 LYS A 80 14.272 19.663 -1.380 1.00 1.31 H new ATOM 0 HE2 LYS A 80 12.210 19.426 -2.610 1.00 1.94 H new ATOM 0 HE3 LYS A 80 12.971 17.850 -2.518 1.00 1.94 H new ATOM 0 HZ1 LYS A 80 10.465 18.087 -2.029 1.00 2.65 H new ATOM 0 HZ2 LYS A 80 11.402 17.069 -1.044 1.00 2.65 H new ATOM 0 HZ3 LYS A 80 10.964 18.614 -0.494 1.00 2.65 H new ATOM 1156 N LEU A 81 13.088 15.290 3.957 1.00 0.66 N ATOM 1157 CA LEU A 81 12.388 14.962 5.196 1.00 0.69 C ATOM 1158 C LEU A 81 13.355 14.902 6.369 1.00 0.73 C ATOM 1159 O LEU A 81 14.569 14.823 6.179 1.00 0.75 O ATOM 1160 CB LEU A 81 11.712 13.598 5.077 1.00 0.70 C ATOM 1161 CG LEU A 81 10.808 13.413 3.873 1.00 0.68 C ATOM 1162 CD1 LEU A 81 10.466 11.948 3.708 1.00 1.16 C ATOM 1163 CD2 LEU A 81 9.542 14.234 4.043 1.00 1.08 C ATOM 0 H LEU A 81 13.967 14.789 3.828 1.00 0.66 H new ATOM 0 HA LEU A 81 11.647 15.743 5.367 1.00 0.69 H new ATOM 0 HB2 LEU A 81 12.486 12.831 5.048 1.00 0.70 H new ATOM 0 HB3 LEU A 81 11.125 13.424 5.979 1.00 0.70 H new ATOM 0 HG LEU A 81 11.329 13.756 2.979 1.00 0.68 H new ATOM 0 HD11 LEU A 81 9.817 11.821 2.842 1.00 1.16 H new ATOM 0 HD12 LEU A 81 11.382 11.375 3.562 1.00 1.16 H new ATOM 0 HD13 LEU A 81 9.953 11.591 4.601 1.00 1.16 H new ATOM 0 HD21 LEU A 81 8.899 14.095 3.174 1.00 1.08 H new ATOM 0 HD22 LEU A 81 9.015 13.909 4.940 1.00 1.08 H new ATOM 0 HD23 LEU A 81 9.802 15.288 4.137 1.00 1.08 H new ATOM 1175 N PRO A 82 12.821 14.949 7.600 1.00 0.78 N ATOM 1176 CA PRO A 82 13.587 14.634 8.803 1.00 0.84 C ATOM 1177 C PRO A 82 13.707 13.122 9.009 1.00 0.75 C ATOM 1178 O PRO A 82 13.012 12.343 8.353 1.00 0.70 O ATOM 1179 CB PRO A 82 12.751 15.265 9.918 1.00 0.95 C ATOM 1180 CG PRO A 82 11.352 15.212 9.414 1.00 0.91 C ATOM 1181 CD PRO A 82 11.432 15.342 7.919 1.00 0.82 C ATOM 0 HA PRO A 82 14.611 15.005 8.762 1.00 0.84 H new ATOM 0 HB2 PRO A 82 12.857 14.714 10.853 1.00 0.95 H new ATOM 0 HB3 PRO A 82 13.063 16.291 10.115 1.00 0.95 H new ATOM 0 HG2 PRO A 82 10.873 14.275 9.697 1.00 0.91 H new ATOM 0 HG3 PRO A 82 10.755 16.017 9.842 1.00 0.91 H new ATOM 0 HD2 PRO A 82 10.710 14.694 7.423 1.00 0.82 H new ATOM 0 HD3 PRO A 82 11.221 16.361 7.595 1.00 0.82 H new ATOM 1189 N ASN A 83 14.567 12.712 9.930 1.00 0.79 N ATOM 1190 CA ASN A 83 14.810 11.292 10.183 1.00 0.72 C ATOM 1191 C ASN A 83 13.574 10.595 10.721 1.00 0.65 C ATOM 1192 O ASN A 83 13.408 9.393 10.544 1.00 0.61 O ATOM 1193 CB ASN A 83 15.947 11.105 11.181 1.00 0.82 C ATOM 1194 CG ASN A 83 17.297 11.516 10.629 1.00 1.10 C ATOM 1195 OD1 ASN A 83 17.497 11.344 9.327 1.00 1.53 O flip ATOM 1196 ND2 ASN A 83 18.164 11.976 11.370 1.00 1.16 N flip ATOM 0 H ASN A 83 15.112 13.342 10.518 1.00 0.79 H new ATOM 0 HA ASN A 83 15.079 10.847 9.225 1.00 0.72 H new ATOM 0 HB2 ASN A 83 15.735 11.688 12.077 1.00 0.82 H new ATOM 0 HB3 ASN A 83 15.988 10.059 11.484 1.00 0.82 H new ATOM 0 HD21 ASN A 83 17.974 12.094 12.365 1.00 1.16 H new ATOM 0 HD22 ASN A 83 19.073 12.240 10.989 1.00 1.16 H new ATOM 1203 N THR A 84 12.716 11.353 11.381 1.00 0.67 N ATOM 1204 CA THR A 84 11.498 10.808 11.952 1.00 0.67 C ATOM 1205 C THR A 84 10.584 10.261 10.862 1.00 0.58 C ATOM 1206 O THR A 84 10.130 9.113 10.930 1.00 0.53 O ATOM 1207 CB THR A 84 10.763 11.885 12.763 1.00 0.77 C ATOM 1208 OG1 THR A 84 10.706 13.107 12.017 1.00 1.11 O ATOM 1209 CG2 THR A 84 11.459 12.132 14.088 1.00 1.24 C ATOM 0 H THR A 84 12.842 12.353 11.535 1.00 0.67 H new ATOM 0 HA THR A 84 11.771 9.987 12.615 1.00 0.67 H new ATOM 0 HB THR A 84 9.751 11.531 12.961 1.00 0.77 H new ATOM 0 HG1 THR A 84 10.234 13.788 12.540 1.00 1.11 H new ATOM 0 HG21 THR A 84 10.920 12.899 14.645 1.00 1.24 H new ATOM 0 HG22 THR A 84 11.477 11.209 14.667 1.00 1.24 H new ATOM 0 HG23 THR A 84 12.480 12.466 13.906 1.00 1.24 H new ATOM 1217 N VAL A 85 10.335 11.080 9.849 1.00 0.59 N ATOM 1218 CA VAL A 85 9.516 10.670 8.722 1.00 0.55 C ATOM 1219 C VAL A 85 10.227 9.575 7.934 1.00 0.49 C ATOM 1220 O VAL A 85 9.612 8.582 7.565 1.00 0.45 O ATOM 1221 CB VAL A 85 9.186 11.864 7.800 1.00 0.60 C ATOM 1222 CG1 VAL A 85 8.262 11.434 6.671 1.00 0.56 C ATOM 1223 CG2 VAL A 85 8.563 13.000 8.598 1.00 0.72 C ATOM 0 H VAL A 85 10.691 12.034 9.787 1.00 0.59 H new ATOM 0 HA VAL A 85 8.575 10.281 9.111 1.00 0.55 H new ATOM 0 HB VAL A 85 10.117 12.223 7.361 1.00 0.60 H new ATOM 0 HG11 VAL A 85 8.043 12.291 6.034 1.00 0.56 H new ATOM 0 HG12 VAL A 85 8.747 10.657 6.080 1.00 0.56 H new ATOM 0 HG13 VAL A 85 7.333 11.046 7.089 1.00 0.56 H new ATOM 0 HG21 VAL A 85 8.338 13.832 7.931 1.00 0.72 H new ATOM 0 HG22 VAL A 85 7.643 12.652 9.068 1.00 0.72 H new ATOM 0 HG23 VAL A 85 9.261 13.330 9.367 1.00 0.72 H new ATOM 1233 N LEU A 86 11.526 9.760 7.708 1.00 0.50 N ATOM 1234 CA LEU A 86 12.374 8.728 7.101 1.00 0.50 C ATOM 1235 C LEU A 86 12.161 7.385 7.784 1.00 0.40 C ATOM 1236 O LEU A 86 11.866 6.377 7.137 1.00 0.38 O ATOM 1237 CB LEU A 86 13.849 9.107 7.241 1.00 0.62 C ATOM 1238 CG LEU A 86 14.503 9.760 6.021 1.00 0.72 C ATOM 1239 CD1 LEU A 86 14.696 8.741 4.919 1.00 1.45 C ATOM 1240 CD2 LEU A 86 13.677 10.931 5.522 1.00 1.34 C ATOM 0 H LEU A 86 12.021 10.622 7.937 1.00 0.50 H new ATOM 0 HA LEU A 86 12.102 8.652 6.048 1.00 0.50 H new ATOM 0 HB2 LEU A 86 13.948 9.787 8.087 1.00 0.62 H new ATOM 0 HB3 LEU A 86 14.411 8.207 7.489 1.00 0.62 H new ATOM 0 HG LEU A 86 15.479 10.140 6.322 1.00 0.72 H new ATOM 0 HD11 LEU A 86 15.162 9.220 4.058 1.00 1.45 H new ATOM 0 HD12 LEU A 86 15.337 7.935 5.277 1.00 1.45 H new ATOM 0 HD13 LEU A 86 13.728 8.333 4.627 1.00 1.45 H new ATOM 0 HD21 LEU A 86 14.164 11.377 4.655 1.00 1.34 H new ATOM 0 HD22 LEU A 86 12.684 10.582 5.240 1.00 1.34 H new ATOM 0 HD23 LEU A 86 13.589 11.677 6.312 1.00 1.34 H new ATOM 1252 N GLY A 87 12.305 7.399 9.105 1.00 0.39 N ATOM 1253 CA GLY A 87 12.214 6.195 9.892 1.00 0.39 C ATOM 1254 C GLY A 87 10.881 5.499 9.753 1.00 0.33 C ATOM 1255 O GLY A 87 10.834 4.286 9.558 1.00 0.37 O ATOM 0 H GLY A 87 12.486 8.243 9.648 1.00 0.39 H new ATOM 0 HA2 GLY A 87 13.008 5.511 9.593 1.00 0.39 H new ATOM 0 HA3 GLY A 87 12.383 6.439 10.941 1.00 0.39 H new ATOM 1259 N LYS A 88 9.790 6.252 9.831 1.00 0.34 N ATOM 1260 CA LYS A 88 8.482 5.626 9.804 1.00 0.37 C ATOM 1261 C LYS A 88 8.008 5.338 8.385 1.00 0.34 C ATOM 1262 O LYS A 88 7.159 4.477 8.192 1.00 0.41 O ATOM 1263 CB LYS A 88 7.433 6.421 10.587 1.00 0.49 C ATOM 1264 CG LYS A 88 7.084 7.774 10.003 1.00 0.65 C ATOM 1265 CD LYS A 88 5.890 8.369 10.739 1.00 0.98 C ATOM 1266 CE LYS A 88 5.606 9.814 10.348 1.00 1.52 C ATOM 1267 NZ LYS A 88 4.548 10.409 11.212 1.00 1.66 N ATOM 0 H LYS A 88 9.786 7.269 9.911 1.00 0.34 H new ATOM 0 HA LYS A 88 8.601 4.667 10.309 1.00 0.37 H new ATOM 0 HB2 LYS A 88 6.523 5.825 10.653 1.00 0.49 H new ATOM 0 HB3 LYS A 88 7.794 6.564 11.605 1.00 0.49 H new ATOM 0 HG2 LYS A 88 7.940 8.444 10.081 1.00 0.65 H new ATOM 0 HG3 LYS A 88 6.854 7.673 8.942 1.00 0.65 H new ATOM 0 HD2 LYS A 88 5.007 7.764 10.535 1.00 0.98 H new ATOM 0 HD3 LYS A 88 6.071 8.318 11.813 1.00 0.98 H new ATOM 0 HE2 LYS A 88 6.520 10.402 10.431 1.00 1.52 H new ATOM 0 HE3 LYS A 88 5.293 9.856 9.305 1.00 1.52 H new ATOM 0 HZ1 LYS A 88 4.747 11.419 11.359 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 3.622 10.302 10.751 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 4.535 9.922 12.131 1.00 1.66 H new ATOM 1281 N ILE A 89 8.555 6.035 7.394 1.00 0.30 N ATOM 1282 CA ILE A 89 8.281 5.681 6.009 1.00 0.31 C ATOM 1283 C ILE A 89 8.907 4.329 5.715 1.00 0.26 C ATOM 1284 O ILE A 89 8.274 3.452 5.128 1.00 0.28 O ATOM 1285 CB ILE A 89 8.817 6.732 5.004 1.00 0.37 C ATOM 1286 CG1 ILE A 89 7.988 8.017 5.083 1.00 0.71 C ATOM 1287 CG2 ILE A 89 8.814 6.187 3.577 1.00 0.56 C ATOM 1288 CD1 ILE A 89 8.382 9.059 4.061 1.00 1.15 C ATOM 0 H ILE A 89 9.178 6.832 7.521 1.00 0.30 H new ATOM 0 HA ILE A 89 7.199 5.645 5.884 1.00 0.31 H new ATOM 0 HB ILE A 89 9.848 6.959 5.275 1.00 0.37 H new ATOM 0 HG12 ILE A 89 6.935 7.768 4.948 1.00 0.71 H new ATOM 0 HG13 ILE A 89 8.089 8.443 6.081 1.00 0.71 H new ATOM 0 HG21 ILE A 89 9.195 6.948 2.896 1.00 0.56 H new ATOM 0 HG22 ILE A 89 9.448 5.302 3.524 1.00 0.56 H new ATOM 0 HG23 ILE A 89 7.796 5.922 3.291 1.00 0.56 H new ATOM 0 HD11 ILE A 89 7.751 9.940 4.178 1.00 1.15 H new ATOM 0 HD12 ILE A 89 9.426 9.337 4.209 1.00 1.15 H new ATOM 0 HD13 ILE A 89 8.254 8.652 3.058 1.00 1.15 H new ATOM 1300 N TRP A 90 10.147 4.160 6.161 1.00 0.24 N ATOM 1301 CA TRP A 90 10.850 2.898 5.987 1.00 0.22 C ATOM 1302 C TRP A 90 10.151 1.766 6.727 1.00 0.23 C ATOM 1303 O TRP A 90 9.816 0.754 6.134 1.00 0.25 O ATOM 1304 CB TRP A 90 12.286 3.000 6.481 1.00 0.22 C ATOM 1305 CG TRP A 90 13.078 1.754 6.230 1.00 0.23 C ATOM 1306 CD1 TRP A 90 13.364 0.763 7.131 1.00 0.30 C ATOM 1307 CD2 TRP A 90 13.676 1.359 4.992 1.00 0.21 C ATOM 1308 NE1 TRP A 90 14.119 -0.218 6.526 1.00 0.30 N ATOM 1309 CE2 TRP A 90 14.325 0.130 5.211 1.00 0.25 C ATOM 1310 CE3 TRP A 90 13.727 1.932 3.716 1.00 0.22 C ATOM 1311 CZ2 TRP A 90 15.025 -0.533 4.203 1.00 0.28 C ATOM 1312 CZ3 TRP A 90 14.420 1.273 2.718 1.00 0.28 C ATOM 1313 CH2 TRP A 90 15.062 0.056 2.965 1.00 0.30 C ATOM 0 H TRP A 90 10.684 4.880 6.644 1.00 0.24 H new ATOM 0 HA TRP A 90 10.849 2.679 4.919 1.00 0.22 H new ATOM 0 HB2 TRP A 90 12.775 3.841 5.989 1.00 0.22 H new ATOM 0 HB3 TRP A 90 12.283 3.214 7.550 1.00 0.22 H new ATOM 0 HD1 TRP A 90 13.045 0.752 8.163 1.00 0.30 H new ATOM 0 HE1 TRP A 90 14.468 -1.063 6.979 1.00 0.30 H new ATOM 0 HE3 TRP A 90 13.234 2.872 3.515 1.00 0.22 H new ATOM 0 HZ2 TRP A 90 15.519 -1.475 4.390 1.00 0.28 H new ATOM 0 HZ3 TRP A 90 14.466 1.706 1.730 1.00 0.28 H new ATOM 0 HH2 TRP A 90 15.598 -0.431 2.164 1.00 0.30 H new ATOM 1324 N LYS A 91 9.930 1.951 8.023 1.00 0.26 N ATOM 1325 CA LYS A 91 9.394 0.884 8.859 1.00 0.30 C ATOM 1326 C LYS A 91 7.921 0.617 8.559 1.00 0.31 C ATOM 1327 O LYS A 91 7.357 -0.356 9.051 1.00 0.42 O ATOM 1328 CB LYS A 91 9.602 1.198 10.340 1.00 0.40 C ATOM 1329 CG LYS A 91 8.777 2.358 10.860 1.00 1.08 C ATOM 1330 CD LYS A 91 9.067 2.629 12.324 1.00 1.26 C ATOM 1331 CE LYS A 91 8.160 3.717 12.863 1.00 2.03 C ATOM 1332 NZ LYS A 91 8.431 4.018 14.295 1.00 2.54 N ATOM 0 H LYS A 91 10.113 2.825 8.516 1.00 0.26 H new ATOM 0 HA LYS A 91 9.944 -0.026 8.621 1.00 0.30 H new ATOM 0 HB2 LYS A 91 9.363 0.309 10.924 1.00 0.40 H new ATOM 0 HB3 LYS A 91 10.657 1.415 10.507 1.00 0.40 H new ATOM 0 HG2 LYS A 91 8.992 3.251 10.273 1.00 1.08 H new ATOM 0 HG3 LYS A 91 7.717 2.139 10.732 1.00 1.08 H new ATOM 0 HD2 LYS A 91 8.928 1.715 12.902 1.00 1.26 H new ATOM 0 HD3 LYS A 91 10.109 2.926 12.443 1.00 1.26 H new ATOM 0 HE2 LYS A 91 8.292 4.623 12.272 1.00 2.03 H new ATOM 0 HE3 LYS A 91 7.120 3.410 12.749 1.00 2.03 H new ATOM 0 HZ1 LYS A 91 7.787 4.767 14.620 1.00 2.54 H new ATOM 0 HZ2 LYS A 91 8.280 3.161 14.864 1.00 2.54 H new ATOM 0 HZ3 LYS A 91 9.415 4.336 14.403 1.00 2.54 H new ATOM 1346 N LEU A 92 7.295 1.487 7.775 1.00 0.27 N ATOM 1347 CA LEU A 92 5.938 1.235 7.314 1.00 0.33 C ATOM 1348 C LEU A 92 5.976 0.525 5.962 1.00 0.34 C ATOM 1349 O LEU A 92 5.114 -0.303 5.664 1.00 0.47 O ATOM 1350 CB LEU A 92 5.146 2.541 7.194 1.00 0.37 C ATOM 1351 CG LEU A 92 3.617 2.418 7.337 1.00 0.49 C ATOM 1352 CD1 LEU A 92 3.233 2.150 8.785 1.00 0.86 C ATOM 1353 CD2 LEU A 92 2.918 3.676 6.838 1.00 0.61 C ATOM 0 H LEU A 92 7.701 2.364 7.449 1.00 0.27 H new ATOM 0 HA LEU A 92 5.439 0.600 8.046 1.00 0.33 H new ATOM 0 HB2 LEU A 92 5.508 3.233 7.954 1.00 0.37 H new ATOM 0 HB3 LEU A 92 5.366 2.988 6.225 1.00 0.37 H new ATOM 0 HG LEU A 92 3.293 1.577 6.725 1.00 0.49 H new ATOM 0 HD11 LEU A 92 2.149 2.067 8.865 1.00 0.86 H new ATOM 0 HD12 LEU A 92 3.694 1.220 9.117 1.00 0.86 H new ATOM 0 HD13 LEU A 92 3.581 2.971 9.412 1.00 0.86 H new ATOM 0 HD21 LEU A 92 1.840 3.562 6.950 1.00 0.61 H new ATOM 0 HD22 LEU A 92 3.255 4.534 7.419 1.00 0.61 H new ATOM 0 HD23 LEU A 92 3.158 3.833 5.787 1.00 0.61 H new ATOM 1365 N ALA A 93 6.976 0.857 5.141 1.00 0.30 N ATOM 1366 CA ALA A 93 7.106 0.243 3.826 1.00 0.37 C ATOM 1367 C ALA A 93 7.807 -1.112 3.894 1.00 0.37 C ATOM 1368 O ALA A 93 7.368 -2.083 3.276 1.00 0.45 O ATOM 1369 CB ALA A 93 7.861 1.168 2.893 1.00 0.43 C ATOM 0 H ALA A 93 7.699 1.541 5.365 1.00 0.30 H new ATOM 0 HA ALA A 93 6.100 0.075 3.442 1.00 0.37 H new ATOM 0 HB1 ALA A 93 7.953 0.700 1.913 1.00 0.43 H new ATOM 0 HB2 ALA A 93 7.319 2.109 2.797 1.00 0.43 H new ATOM 0 HB3 ALA A 93 8.855 1.361 3.298 1.00 0.43 H new ATOM 1375 N ASP A 94 8.887 -1.180 4.657 1.00 0.32 N ATOM 1376 CA ASP A 94 9.624 -2.423 4.823 1.00 0.38 C ATOM 1377 C ASP A 94 9.087 -3.150 6.035 1.00 0.45 C ATOM 1378 O ASP A 94 9.676 -3.120 7.108 1.00 0.49 O ATOM 1379 CB ASP A 94 11.132 -2.160 4.966 1.00 0.35 C ATOM 1380 CG ASP A 94 11.981 -3.419 4.927 1.00 0.47 C ATOM 1381 OD1 ASP A 94 11.540 -4.442 4.343 1.00 0.61 O ATOM 1382 OD2 ASP A 94 13.104 -3.396 5.470 1.00 0.62 O ATOM 0 H ASP A 94 9.273 -0.388 5.171 1.00 0.32 H new ATOM 0 HA ASP A 94 9.489 -3.042 3.936 1.00 0.38 H new ATOM 0 HB2 ASP A 94 11.452 -1.492 4.166 1.00 0.35 H new ATOM 0 HB3 ASP A 94 11.313 -1.640 5.907 1.00 0.35 H new ATOM 1387 N VAL A 95 7.927 -3.760 5.859 1.00 0.64 N ATOM 1388 CA VAL A 95 7.282 -4.516 6.924 1.00 0.79 C ATOM 1389 C VAL A 95 8.131 -5.721 7.293 1.00 0.74 C ATOM 1390 O VAL A 95 8.074 -6.232 8.410 1.00 0.88 O ATOM 1391 CB VAL A 95 5.887 -4.997 6.479 1.00 1.07 C ATOM 1392 CG1 VAL A 95 5.114 -5.568 7.656 1.00 1.76 C ATOM 1393 CG2 VAL A 95 5.120 -3.864 5.822 1.00 1.57 C ATOM 0 H VAL A 95 7.407 -3.747 4.981 1.00 0.64 H new ATOM 0 HA VAL A 95 7.175 -3.863 7.790 1.00 0.79 H new ATOM 0 HB VAL A 95 6.014 -5.792 5.745 1.00 1.07 H new ATOM 0 HG11 VAL A 95 4.132 -5.901 7.319 1.00 1.76 H new ATOM 0 HG12 VAL A 95 5.660 -6.413 8.075 1.00 1.76 H new ATOM 0 HG13 VAL A 95 4.994 -4.800 8.420 1.00 1.76 H new ATOM 0 HG21 VAL A 95 4.137 -4.221 5.514 1.00 1.57 H new ATOM 0 HG22 VAL A 95 5.003 -3.045 6.531 1.00 1.57 H new ATOM 0 HG23 VAL A 95 5.669 -3.512 4.948 1.00 1.57 H new ATOM 1403 N ASP A 96 8.923 -6.151 6.329 1.00 0.68 N ATOM 1404 CA ASP A 96 9.806 -7.289 6.493 1.00 0.73 C ATOM 1405 C ASP A 96 11.065 -6.877 7.255 1.00 0.60 C ATOM 1406 O ASP A 96 11.683 -7.691 7.945 1.00 0.68 O ATOM 1407 CB ASP A 96 10.151 -7.807 5.104 1.00 0.94 C ATOM 1408 CG ASP A 96 11.141 -8.951 5.109 1.00 1.04 C ATOM 1409 OD1 ASP A 96 10.727 -10.112 5.334 1.00 1.70 O ATOM 1410 OD2 ASP A 96 12.330 -8.691 4.868 1.00 1.40 O ATOM 0 H ASP A 96 8.972 -5.719 5.406 1.00 0.68 H new ATOM 0 HA ASP A 96 9.321 -8.074 7.073 1.00 0.73 H new ATOM 0 HB2 ASP A 96 9.236 -8.133 4.610 1.00 0.94 H new ATOM 0 HB3 ASP A 96 10.559 -6.988 4.512 1.00 0.94 H new ATOM 1415 N LYS A 97 11.400 -5.589 7.156 1.00 0.48 N ATOM 1416 CA LYS A 97 12.500 -4.987 7.913 1.00 0.46 C ATOM 1417 C LYS A 97 13.811 -5.722 7.673 1.00 0.46 C ATOM 1418 O LYS A 97 14.303 -6.471 8.529 1.00 0.70 O ATOM 1419 CB LYS A 97 12.137 -4.919 9.390 1.00 0.59 C ATOM 1420 CG LYS A 97 10.833 -4.176 9.596 1.00 0.67 C ATOM 1421 CD LYS A 97 10.398 -4.142 11.046 1.00 0.82 C ATOM 1422 CE LYS A 97 8.986 -3.594 11.167 1.00 1.34 C ATOM 1423 NZ LYS A 97 8.563 -3.467 12.582 1.00 1.74 N ATOM 0 H LYS A 97 10.914 -4.931 6.546 1.00 0.48 H new ATOM 0 HA LYS A 97 12.654 -3.968 7.558 1.00 0.46 H new ATOM 0 HB2 LYS A 97 12.052 -5.928 9.794 1.00 0.59 H new ATOM 0 HB3 LYS A 97 12.934 -4.421 9.941 1.00 0.59 H new ATOM 0 HG2 LYS A 97 10.941 -3.155 9.230 1.00 0.67 H new ATOM 0 HG3 LYS A 97 10.053 -4.648 8.999 1.00 0.67 H new ATOM 0 HD2 LYS A 97 10.442 -5.146 11.468 1.00 0.82 H new ATOM 0 HD3 LYS A 97 11.085 -3.523 11.623 1.00 0.82 H new ATOM 0 HE2 LYS A 97 8.932 -2.619 10.683 1.00 1.34 H new ATOM 0 HE3 LYS A 97 8.295 -4.251 10.639 1.00 1.34 H new ATOM 0 HZ1 LYS A 97 7.595 -3.090 12.622 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 8.590 -4.401 13.038 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 9.207 -2.820 13.080 1.00 1.74 H new ATOM 1437 N ASP A 98 14.353 -5.498 6.492 1.00 0.35 N ATOM 1438 CA ASP A 98 15.475 -6.265 5.992 1.00 0.43 C ATOM 1439 C ASP A 98 16.668 -5.381 5.623 1.00 0.39 C ATOM 1440 O ASP A 98 17.807 -5.849 5.619 1.00 0.63 O ATOM 1441 CB ASP A 98 15.019 -7.078 4.769 1.00 0.69 C ATOM 1442 CG ASP A 98 14.214 -6.233 3.791 1.00 0.72 C ATOM 1443 OD1 ASP A 98 14.658 -5.139 3.454 1.00 1.35 O ATOM 1444 OD2 ASP A 98 13.113 -6.649 3.361 1.00 1.51 O ATOM 0 H ASP A 98 14.026 -4.776 5.850 1.00 0.35 H new ATOM 0 HA ASP A 98 15.810 -6.931 6.787 1.00 0.43 H new ATOM 0 HB2 ASP A 98 15.891 -7.489 4.261 1.00 0.69 H new ATOM 0 HB3 ASP A 98 14.416 -7.923 5.100 1.00 0.69 H new ATOM 1449 N GLY A 99 16.418 -4.113 5.320 1.00 0.29 N ATOM 1450 CA GLY A 99 17.502 -3.234 4.917 1.00 0.29 C ATOM 1451 C GLY A 99 17.562 -3.067 3.411 1.00 0.24 C ATOM 1452 O GLY A 99 18.581 -2.642 2.859 1.00 0.27 O ATOM 0 H GLY A 99 15.495 -3.680 5.345 1.00 0.29 H new ATOM 0 HA2 GLY A 99 17.372 -2.259 5.386 1.00 0.29 H new ATOM 0 HA3 GLY A 99 18.449 -3.637 5.276 1.00 0.29 H new ATOM 1456 N LEU A 100 16.472 -3.435 2.754 1.00 0.23 N ATOM 1457 CA LEU A 100 16.305 -3.262 1.323 1.00 0.21 C ATOM 1458 C LEU A 100 14.819 -3.106 1.021 1.00 0.24 C ATOM 1459 O LEU A 100 14.017 -3.037 1.943 1.00 0.38 O ATOM 1460 CB LEU A 100 16.929 -4.446 0.562 1.00 0.27 C ATOM 1461 CG LEU A 100 16.544 -5.853 1.044 1.00 0.39 C ATOM 1462 CD1 LEU A 100 15.161 -6.255 0.546 1.00 0.41 C ATOM 1463 CD2 LEU A 100 17.589 -6.864 0.600 1.00 0.54 C ATOM 0 H LEU A 100 15.668 -3.868 3.209 1.00 0.23 H new ATOM 0 HA LEU A 100 16.824 -2.364 0.987 1.00 0.21 H new ATOM 0 HB2 LEU A 100 16.654 -4.359 -0.489 1.00 0.27 H new ATOM 0 HB3 LEU A 100 18.014 -4.352 0.616 1.00 0.27 H new ATOM 0 HG LEU A 100 16.508 -5.838 2.133 1.00 0.39 H new ATOM 0 HD11 LEU A 100 14.921 -7.256 0.906 1.00 0.41 H new ATOM 0 HD12 LEU A 100 14.420 -5.548 0.919 1.00 0.41 H new ATOM 0 HD13 LEU A 100 15.151 -6.249 -0.544 1.00 0.41 H new ATOM 0 HD21 LEU A 100 17.305 -7.857 0.948 1.00 0.54 H new ATOM 0 HD22 LEU A 100 17.655 -6.865 -0.488 1.00 0.54 H new ATOM 0 HD23 LEU A 100 18.558 -6.595 1.022 1.00 0.54 H new ATOM 1475 N LEU A 101 14.448 -3.046 -0.250 1.00 0.20 N ATOM 1476 CA LEU A 101 13.044 -2.895 -0.619 1.00 0.20 C ATOM 1477 C LEU A 101 12.805 -3.565 -1.959 1.00 0.17 C ATOM 1478 O LEU A 101 13.439 -3.212 -2.948 1.00 0.18 O ATOM 1479 CB LEU A 101 12.615 -1.417 -0.715 1.00 0.24 C ATOM 1480 CG LEU A 101 12.515 -0.643 0.610 1.00 0.26 C ATOM 1481 CD1 LEU A 101 12.002 0.762 0.371 1.00 0.68 C ATOM 1482 CD2 LEU A 101 11.597 -1.341 1.590 1.00 0.58 C ATOM 0 H LEU A 101 15.092 -3.099 -1.039 1.00 0.20 H new ATOM 0 HA LEU A 101 12.448 -3.363 0.165 1.00 0.20 H new ATOM 0 HB2 LEU A 101 13.323 -0.898 -1.361 1.00 0.24 H new ATOM 0 HB3 LEU A 101 11.644 -1.375 -1.208 1.00 0.24 H new ATOM 0 HG LEU A 101 13.518 -0.601 1.034 1.00 0.26 H new ATOM 0 HD11 LEU A 101 11.939 1.293 1.321 1.00 0.68 H new ATOM 0 HD12 LEU A 101 12.684 1.290 -0.295 1.00 0.68 H new ATOM 0 HD13 LEU A 101 11.013 0.716 -0.085 1.00 0.68 H new ATOM 0 HD21 LEU A 101 11.549 -0.767 2.516 1.00 0.58 H new ATOM 0 HD22 LEU A 101 10.598 -1.420 1.160 1.00 0.58 H new ATOM 0 HD23 LEU A 101 11.981 -2.339 1.801 1.00 0.58 H new ATOM 1494 N ASP A 102 11.919 -4.541 -2.001 1.00 0.16 N ATOM 1495 CA ASP A 102 11.599 -5.199 -3.262 1.00 0.17 C ATOM 1496 C ASP A 102 10.719 -4.283 -4.110 1.00 0.16 C ATOM 1497 O ASP A 102 10.470 -3.145 -3.731 1.00 0.16 O ATOM 1498 CB ASP A 102 10.909 -6.543 -3.023 1.00 0.25 C ATOM 1499 CG ASP A 102 9.436 -6.404 -2.703 1.00 0.77 C ATOM 1500 OD1 ASP A 102 9.099 -6.069 -1.551 1.00 1.50 O ATOM 1501 OD2 ASP A 102 8.615 -6.629 -3.609 1.00 1.40 O ATOM 0 H ASP A 102 11.411 -4.896 -1.190 1.00 0.16 H new ATOM 0 HA ASP A 102 12.527 -5.397 -3.798 1.00 0.17 H new ATOM 0 HB2 ASP A 102 11.025 -7.167 -3.909 1.00 0.25 H new ATOM 0 HB3 ASP A 102 11.406 -7.059 -2.202 1.00 0.25 H new ATOM 1506 N ASP A 103 10.268 -4.773 -5.252 1.00 0.18 N ATOM 1507 CA ASP A 103 9.465 -3.968 -6.179 1.00 0.19 C ATOM 1508 C ASP A 103 8.165 -3.486 -5.514 1.00 0.16 C ATOM 1509 O ASP A 103 7.717 -2.360 -5.750 1.00 0.17 O ATOM 1510 CB ASP A 103 9.193 -4.791 -7.450 1.00 0.28 C ATOM 1511 CG ASP A 103 7.726 -4.938 -7.784 1.00 0.97 C ATOM 1512 OD1 ASP A 103 7.171 -4.044 -8.448 1.00 1.65 O ATOM 1513 OD2 ASP A 103 7.125 -5.971 -7.410 1.00 1.73 O ATOM 0 H ASP A 103 10.441 -5.727 -5.567 1.00 0.18 H new ATOM 0 HA ASP A 103 10.018 -3.071 -6.456 1.00 0.19 H new ATOM 0 HB2 ASP A 103 9.701 -4.320 -8.291 1.00 0.28 H new ATOM 0 HB3 ASP A 103 9.629 -5.783 -7.329 1.00 0.28 H new ATOM 1518 N GLU A 104 7.606 -4.304 -4.630 1.00 0.18 N ATOM 1519 CA GLU A 104 6.409 -3.925 -3.882 1.00 0.23 C ATOM 1520 C GLU A 104 6.769 -3.088 -2.662 1.00 0.19 C ATOM 1521 O GLU A 104 6.051 -2.153 -2.316 1.00 0.22 O ATOM 1522 CB GLU A 104 5.632 -5.166 -3.448 1.00 0.33 C ATOM 1523 CG GLU A 104 4.393 -5.423 -4.283 1.00 0.65 C ATOM 1524 CD GLU A 104 4.330 -6.844 -4.804 1.00 1.28 C ATOM 1525 OE1 GLU A 104 4.306 -7.780 -3.988 1.00 1.68 O ATOM 1526 OE2 GLU A 104 4.300 -7.029 -6.037 1.00 2.14 O ATOM 0 H GLU A 104 7.961 -5.235 -4.412 1.00 0.18 H new ATOM 0 HA GLU A 104 5.781 -3.325 -4.541 1.00 0.23 H new ATOM 0 HB2 GLU A 104 6.287 -6.035 -3.507 1.00 0.33 H new ATOM 0 HB3 GLU A 104 5.341 -5.056 -2.403 1.00 0.33 H new ATOM 0 HG2 GLU A 104 3.506 -5.220 -3.683 1.00 0.65 H new ATOM 0 HG3 GLU A 104 4.375 -4.730 -5.124 1.00 0.65 H new ATOM 1533 N GLU A 105 7.878 -3.419 -2.012 1.00 0.18 N ATOM 1534 CA GLU A 105 8.336 -2.652 -0.862 1.00 0.17 C ATOM 1535 C GLU A 105 8.662 -1.211 -1.259 1.00 0.17 C ATOM 1536 O GLU A 105 8.371 -0.276 -0.512 1.00 0.22 O ATOM 1537 CB GLU A 105 9.537 -3.334 -0.214 1.00 0.19 C ATOM 1538 CG GLU A 105 9.212 -3.896 1.163 1.00 0.26 C ATOM 1539 CD GLU A 105 10.274 -4.830 1.737 1.00 0.40 C ATOM 1540 OE1 GLU A 105 11.463 -4.715 1.406 1.00 0.81 O ATOM 1541 OE2 GLU A 105 9.959 -5.685 2.588 1.00 1.11 O ATOM 0 H GLU A 105 8.473 -4.209 -2.260 1.00 0.18 H new ATOM 0 HA GLU A 105 7.531 -2.615 -0.129 1.00 0.17 H new ATOM 0 HB2 GLU A 105 9.886 -4.140 -0.859 1.00 0.19 H new ATOM 0 HB3 GLU A 105 10.355 -2.619 -0.128 1.00 0.19 H new ATOM 0 HG2 GLU A 105 9.066 -3.066 1.854 1.00 0.26 H new ATOM 0 HG3 GLU A 105 8.266 -4.434 1.107 1.00 0.26 H new ATOM 1548 N PHE A 106 9.247 -1.038 -2.441 1.00 0.16 N ATOM 1549 CA PHE A 106 9.471 0.293 -2.998 1.00 0.16 C ATOM 1550 C PHE A 106 8.128 0.894 -3.365 1.00 0.16 C ATOM 1551 O PHE A 106 7.880 2.075 -3.138 1.00 0.18 O ATOM 1552 CB PHE A 106 10.369 0.210 -4.247 1.00 0.19 C ATOM 1553 CG PHE A 106 10.895 1.538 -4.786 1.00 0.21 C ATOM 1554 CD1 PHE A 106 10.247 2.744 -4.556 1.00 1.04 C ATOM 1555 CD2 PHE A 106 12.058 1.564 -5.540 1.00 1.04 C ATOM 1556 CE1 PHE A 106 10.748 3.928 -5.064 1.00 1.04 C ATOM 1557 CE2 PHE A 106 12.557 2.742 -6.046 1.00 1.07 C ATOM 1558 CZ PHE A 106 11.904 3.923 -5.809 1.00 0.28 C ATOM 0 H PHE A 106 9.574 -1.802 -3.032 1.00 0.16 H new ATOM 0 HA PHE A 106 9.973 0.919 -2.260 1.00 0.16 H new ATOM 0 HB2 PHE A 106 11.222 -0.428 -4.014 1.00 0.19 H new ATOM 0 HB3 PHE A 106 9.808 -0.284 -5.040 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.339 2.757 -3.972 1.00 1.04 H new ATOM 0 HD2 PHE A 106 12.583 0.640 -5.734 1.00 1.04 H new ATOM 0 HE1 PHE A 106 10.231 4.858 -4.876 1.00 1.04 H new ATOM 0 HE2 PHE A 106 13.465 2.736 -6.631 1.00 1.07 H new ATOM 0 HZ PHE A 106 12.296 4.848 -6.206 1.00 0.28 H new ATOM 1568 N ALA A 107 7.256 0.057 -3.916 1.00 0.16 N ATOM 1569 CA ALA A 107 5.936 0.489 -4.336 1.00 0.16 C ATOM 1570 C ALA A 107 5.236 1.284 -3.241 1.00 0.16 C ATOM 1571 O ALA A 107 4.772 2.397 -3.485 1.00 0.18 O ATOM 1572 CB ALA A 107 5.097 -0.705 -4.759 1.00 0.19 C ATOM 0 H ALA A 107 7.446 -0.931 -4.081 1.00 0.16 H new ATOM 0 HA ALA A 107 6.056 1.150 -5.195 1.00 0.16 H new ATOM 0 HB1 ALA A 107 4.110 -0.364 -5.071 1.00 0.19 H new ATOM 0 HB2 ALA A 107 5.584 -1.216 -5.590 1.00 0.19 H new ATOM 0 HB3 ALA A 107 4.994 -1.393 -3.920 1.00 0.19 H new ATOM 1578 N LEU A 108 5.187 0.755 -2.022 1.00 0.18 N ATOM 1579 CA LEU A 108 4.525 1.495 -0.958 1.00 0.22 C ATOM 1580 C LEU A 108 5.441 2.526 -0.327 1.00 0.19 C ATOM 1581 O LEU A 108 4.974 3.572 0.094 1.00 0.20 O ATOM 1582 CB LEU A 108 3.895 0.618 0.108 1.00 0.34 C ATOM 1583 CG LEU A 108 4.785 -0.348 0.849 1.00 0.52 C ATOM 1584 CD1 LEU A 108 4.360 -0.348 2.298 1.00 1.22 C ATOM 1585 CD2 LEU A 108 4.632 -1.731 0.266 1.00 1.23 C ATOM 0 H LEU A 108 5.581 -0.147 -1.754 1.00 0.18 H new ATOM 0 HA LEU A 108 3.704 2.014 -1.452 1.00 0.22 H new ATOM 0 HB2 LEU A 108 3.427 1.272 0.844 1.00 0.34 H new ATOM 0 HB3 LEU A 108 3.097 0.043 -0.362 1.00 0.34 H new ATOM 0 HG LEU A 108 5.830 -0.051 0.761 1.00 0.52 H new ATOM 0 HD11 LEU A 108 4.987 -1.039 2.861 1.00 1.22 H new ATOM 0 HD12 LEU A 108 4.467 0.656 2.709 1.00 1.22 H new ATOM 0 HD13 LEU A 108 3.318 -0.661 2.372 1.00 1.22 H new ATOM 0 HD21 LEU A 108 5.277 -2.426 0.804 1.00 1.23 H new ATOM 0 HD22 LEU A 108 3.595 -2.052 0.359 1.00 1.23 H new ATOM 0 HD23 LEU A 108 4.914 -1.715 -0.787 1.00 1.23 H new ATOM 1597 N ALA A 109 6.731 2.231 -0.253 1.00 0.19 N ATOM 1598 CA ALA A 109 7.726 3.237 0.158 1.00 0.19 C ATOM 1599 C ALA A 109 7.502 4.569 -0.572 1.00 0.19 C ATOM 1600 O ALA A 109 7.337 5.621 0.050 1.00 0.20 O ATOM 1601 CB ALA A 109 9.135 2.737 -0.114 1.00 0.22 C ATOM 0 H ALA A 109 7.121 1.313 -0.468 1.00 0.19 H new ATOM 0 HA ALA A 109 7.604 3.402 1.228 1.00 0.19 H new ATOM 0 HB1 ALA A 109 9.856 3.494 0.196 1.00 0.22 H new ATOM 0 HB2 ALA A 109 9.310 1.818 0.446 1.00 0.22 H new ATOM 0 HB3 ALA A 109 9.252 2.540 -1.180 1.00 0.22 H new ATOM 1607 N ASN A 110 7.460 4.505 -1.898 1.00 0.19 N ATOM 1608 CA ASN A 110 7.332 5.696 -2.731 1.00 0.19 C ATOM 1609 C ASN A 110 5.903 6.219 -2.706 1.00 0.20 C ATOM 1610 O ASN A 110 5.667 7.425 -2.760 1.00 0.23 O ATOM 1611 CB ASN A 110 7.743 5.388 -4.171 1.00 0.21 C ATOM 1612 CG ASN A 110 7.981 6.643 -4.999 1.00 0.29 C ATOM 1613 OD1 ASN A 110 7.706 6.672 -6.198 1.00 1.18 O ATOM 1614 ND2 ASN A 110 8.516 7.682 -4.374 1.00 1.11 N ATOM 0 H ASN A 110 7.513 3.632 -2.424 1.00 0.19 H new ATOM 0 HA ASN A 110 7.994 6.462 -2.328 1.00 0.19 H new ATOM 0 HB2 ASN A 110 8.651 4.786 -4.164 1.00 0.21 H new ATOM 0 HB3 ASN A 110 6.966 4.788 -4.645 1.00 0.21 H new ATOM 0 HD21 ASN A 110 8.712 8.541 -4.888 1.00 1.11 H new ATOM 0 HD22 ASN A 110 8.731 7.623 -3.379 1.00 1.11 H new ATOM 1621 N HIS A 111 4.947 5.301 -2.609 1.00 0.23 N ATOM 1622 CA HIS A 111 3.541 5.675 -2.548 1.00 0.25 C ATOM 1623 C HIS A 111 3.259 6.423 -1.255 1.00 0.24 C ATOM 1624 O HIS A 111 2.444 7.337 -1.217 1.00 0.26 O ATOM 1625 CB HIS A 111 2.641 4.439 -2.658 1.00 0.30 C ATOM 1626 CG HIS A 111 1.184 4.744 -2.537 1.00 0.32 C ATOM 1627 ND1 HIS A 111 0.452 5.322 -3.546 1.00 0.41 N ATOM 1628 CD2 HIS A 111 0.321 4.535 -1.516 1.00 0.39 C ATOM 1629 CE1 HIS A 111 -0.798 5.462 -3.155 1.00 0.49 C ATOM 1630 NE2 HIS A 111 -0.908 4.992 -1.923 1.00 0.47 N ATOM 0 H HIS A 111 5.120 4.297 -2.571 1.00 0.23 H new ATOM 0 HA HIS A 111 3.320 6.329 -3.392 1.00 0.25 H new ATOM 0 HB2 HIS A 111 2.823 3.952 -3.616 1.00 0.30 H new ATOM 0 HB3 HIS A 111 2.920 3.727 -1.881 1.00 0.30 H new ATOM 0 HD1 HIS A 111 0.819 5.599 -4.456 1.00 0.41 H new ATOM 0 HD2 HIS A 111 0.555 4.092 -0.560 1.00 0.39 H new ATOM 0 HE1 HIS A 111 -1.598 5.889 -3.741 1.00 0.49 H new ATOM 1639 N LEU A 112 3.946 6.024 -0.201 1.00 0.25 N ATOM 1640 CA LEU A 112 3.841 6.690 1.086 1.00 0.28 C ATOM 1641 C LEU A 112 4.527 8.052 1.027 1.00 0.25 C ATOM 1642 O LEU A 112 4.119 8.998 1.702 1.00 0.27 O ATOM 1643 CB LEU A 112 4.457 5.820 2.181 1.00 0.35 C ATOM 1644 CG LEU A 112 3.640 4.578 2.571 1.00 0.44 C ATOM 1645 CD1 LEU A 112 4.413 3.729 3.570 1.00 0.55 C ATOM 1646 CD2 LEU A 112 2.287 4.990 3.146 1.00 0.54 C ATOM 0 H LEU A 112 4.590 5.233 -0.211 1.00 0.25 H new ATOM 0 HA LEU A 112 2.788 6.844 1.323 1.00 0.28 H new ATOM 0 HB2 LEU A 112 5.445 5.496 1.852 1.00 0.35 H new ATOM 0 HB3 LEU A 112 4.602 6.433 3.070 1.00 0.35 H new ATOM 0 HG LEU A 112 3.464 3.981 1.676 1.00 0.44 H new ATOM 0 HD11 LEU A 112 3.822 2.853 3.837 1.00 0.55 H new ATOM 0 HD12 LEU A 112 5.355 3.409 3.124 1.00 0.55 H new ATOM 0 HD13 LEU A 112 4.617 4.316 4.466 1.00 0.55 H new ATOM 0 HD21 LEU A 112 1.720 4.099 3.417 1.00 0.54 H new ATOM 0 HD22 LEU A 112 2.441 5.606 4.032 1.00 0.54 H new ATOM 0 HD23 LEU A 112 1.733 5.559 2.400 1.00 0.54 H new ATOM 1658 N ILE A 113 5.575 8.137 0.208 1.00 0.26 N ATOM 1659 CA ILE A 113 6.226 9.408 -0.094 1.00 0.26 C ATOM 1660 C ILE A 113 5.248 10.371 -0.765 1.00 0.26 C ATOM 1661 O ILE A 113 5.219 11.564 -0.456 1.00 0.32 O ATOM 1662 CB ILE A 113 7.454 9.198 -1.003 1.00 0.27 C ATOM 1663 CG1 ILE A 113 8.591 8.576 -0.199 1.00 0.28 C ATOM 1664 CG2 ILE A 113 7.914 10.508 -1.622 1.00 0.33 C ATOM 1665 CD1 ILE A 113 9.781 8.154 -1.036 1.00 0.81 C ATOM 0 H ILE A 113 5.993 7.333 -0.261 1.00 0.26 H new ATOM 0 HA ILE A 113 6.559 9.840 0.850 1.00 0.26 H new ATOM 0 HB ILE A 113 7.167 8.526 -1.811 1.00 0.27 H new ATOM 0 HG12 ILE A 113 8.924 9.292 0.552 1.00 0.28 H new ATOM 0 HG13 ILE A 113 8.210 7.706 0.336 1.00 0.28 H new ATOM 0 HG21 ILE A 113 8.781 10.326 -2.257 1.00 0.33 H new ATOM 0 HG22 ILE A 113 7.107 10.930 -2.222 1.00 0.33 H new ATOM 0 HG23 ILE A 113 8.184 11.209 -0.832 1.00 0.33 H new ATOM 0 HD11 ILE A 113 10.545 7.722 -0.390 1.00 0.81 H new ATOM 0 HD12 ILE A 113 9.465 7.413 -1.770 1.00 0.81 H new ATOM 0 HD13 ILE A 113 10.190 9.023 -1.551 1.00 0.81 H new ATOM 1677 N LYS A 114 4.460 9.853 -1.698 1.00 0.25 N ATOM 1678 CA LYS A 114 3.422 10.662 -2.340 1.00 0.31 C ATOM 1679 C LYS A 114 2.312 11.001 -1.335 1.00 0.32 C ATOM 1680 O LYS A 114 1.767 12.100 -1.356 1.00 0.41 O ATOM 1681 CB LYS A 114 2.874 9.949 -3.598 1.00 0.45 C ATOM 1682 CG LYS A 114 1.505 9.287 -3.445 1.00 0.86 C ATOM 1683 CD LYS A 114 0.370 10.228 -3.837 1.00 1.30 C ATOM 1684 CE LYS A 114 -0.978 9.523 -3.798 1.00 1.59 C ATOM 1685 NZ LYS A 114 -2.089 10.390 -4.280 1.00 2.22 N ATOM 0 H LYS A 114 4.515 8.889 -2.027 1.00 0.25 H new ATOM 0 HA LYS A 114 3.860 11.603 -2.672 1.00 0.31 H new ATOM 0 HB2 LYS A 114 2.816 10.676 -4.408 1.00 0.45 H new ATOM 0 HB3 LYS A 114 3.592 9.188 -3.903 1.00 0.45 H new ATOM 0 HG2 LYS A 114 1.464 8.391 -4.065 1.00 0.86 H new ATOM 0 HG3 LYS A 114 1.370 8.967 -2.412 1.00 0.86 H new ATOM 0 HD2 LYS A 114 0.354 11.083 -3.161 1.00 1.30 H new ATOM 0 HD3 LYS A 114 0.549 10.618 -4.839 1.00 1.30 H new ATOM 0 HE2 LYS A 114 -0.932 8.623 -4.411 1.00 1.59 H new ATOM 0 HE3 LYS A 114 -1.188 9.203 -2.777 1.00 1.59 H new ATOM 0 HZ1 LYS A 114 -2.985 9.864 -4.234 1.00 2.22 H new ATOM 0 HZ2 LYS A 114 -2.153 11.237 -3.680 1.00 2.22 H new ATOM 0 HZ3 LYS A 114 -1.905 10.675 -5.263 1.00 2.22 H new ATOM 1699 N VAL A 115 2.024 10.062 -0.437 1.00 0.30 N ATOM 1700 CA VAL A 115 1.020 10.250 0.611 1.00 0.35 C ATOM 1701 C VAL A 115 1.367 11.439 1.516 1.00 0.35 C ATOM 1702 O VAL A 115 0.526 12.309 1.758 1.00 0.42 O ATOM 1703 CB VAL A 115 0.863 8.952 1.446 1.00 0.41 C ATOM 1704 CG1 VAL A 115 0.226 9.226 2.799 1.00 0.49 C ATOM 1705 CG2 VAL A 115 0.033 7.932 0.682 1.00 0.47 C ATOM 0 H VAL A 115 2.479 9.149 -0.414 1.00 0.30 H new ATOM 0 HA VAL A 115 0.069 10.473 0.128 1.00 0.35 H new ATOM 0 HB VAL A 115 1.862 8.552 1.620 1.00 0.41 H new ATOM 0 HG11 VAL A 115 0.133 8.292 3.353 1.00 0.49 H new ATOM 0 HG12 VAL A 115 0.850 9.921 3.361 1.00 0.49 H new ATOM 0 HG13 VAL A 115 -0.763 9.662 2.654 1.00 0.49 H new ATOM 0 HG21 VAL A 115 -0.070 7.026 1.279 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.955 8.346 0.478 1.00 0.47 H new ATOM 0 HG23 VAL A 115 0.527 7.692 -0.259 1.00 0.47 H new ATOM 1715 N LYS A 116 2.605 11.492 1.994 1.00 0.35 N ATOM 1716 CA LYS A 116 3.041 12.612 2.825 1.00 0.45 C ATOM 1717 C LYS A 116 3.104 13.896 1.995 1.00 0.48 C ATOM 1718 O LYS A 116 2.921 15.000 2.516 1.00 0.63 O ATOM 1719 CB LYS A 116 4.409 12.332 3.431 1.00 0.59 C ATOM 1720 CG LYS A 116 5.453 12.115 2.374 1.00 0.77 C ATOM 1721 CD LYS A 116 6.856 12.179 2.915 1.00 0.79 C ATOM 1722 CE LYS A 116 7.850 12.040 1.784 1.00 1.68 C ATOM 1723 NZ LYS A 116 7.742 13.156 0.801 1.00 1.91 N ATOM 0 H LYS A 116 3.318 10.783 1.824 1.00 0.35 H new ATOM 0 HA LYS A 116 2.317 12.738 3.630 1.00 0.45 H new ATOM 0 HB2 LYS A 116 4.703 13.167 4.066 1.00 0.59 H new ATOM 0 HB3 LYS A 116 4.350 11.451 4.070 1.00 0.59 H new ATOM 0 HG2 LYS A 116 5.293 11.143 1.907 1.00 0.77 H new ATOM 0 HG3 LYS A 116 5.335 12.867 1.594 1.00 0.77 H new ATOM 0 HD2 LYS A 116 7.012 13.125 3.434 1.00 0.79 H new ATOM 0 HD3 LYS A 116 7.010 11.385 3.646 1.00 0.79 H new ATOM 0 HE2 LYS A 116 8.861 12.013 2.192 1.00 1.68 H new ATOM 0 HE3 LYS A 116 7.687 11.091 1.273 1.00 1.68 H new ATOM 0 HZ1 LYS A 116 8.669 13.320 0.359 1.00 1.91 H new ATOM 0 HZ2 LYS A 116 7.048 12.907 0.068 1.00 1.91 H new ATOM 0 HZ3 LYS A 116 7.434 14.021 1.290 1.00 1.91 H new ATOM 1737 N LEU A 117 3.360 13.737 0.699 1.00 0.43 N ATOM 1738 CA LEU A 117 3.493 14.865 -0.212 1.00 0.53 C ATOM 1739 C LEU A 117 2.141 15.537 -0.446 1.00 0.60 C ATOM 1740 O LEU A 117 2.070 16.703 -0.850 1.00 0.73 O ATOM 1741 CB LEU A 117 4.079 14.384 -1.540 1.00 0.54 C ATOM 1742 CG LEU A 117 4.335 15.470 -2.587 1.00 0.68 C ATOM 1743 CD1 LEU A 117 5.431 16.418 -2.121 1.00 1.28 C ATOM 1744 CD2 LEU A 117 4.694 14.835 -3.924 1.00 1.17 C ATOM 0 H LEU A 117 3.480 12.827 0.255 1.00 0.43 H new ATOM 0 HA LEU A 117 4.163 15.599 0.235 1.00 0.53 H new ATOM 0 HB2 LEU A 117 5.020 13.873 -1.336 1.00 0.54 H new ATOM 0 HB3 LEU A 117 3.401 13.645 -1.968 1.00 0.54 H new ATOM 0 HG LEU A 117 3.423 16.053 -2.717 1.00 0.68 H new ATOM 0 HD11 LEU A 117 5.598 17.183 -2.880 1.00 1.28 H new ATOM 0 HD12 LEU A 117 5.129 16.893 -1.188 1.00 1.28 H new ATOM 0 HD13 LEU A 117 6.353 15.858 -1.961 1.00 1.28 H new ATOM 0 HD21 LEU A 117 4.874 15.617 -4.662 1.00 1.17 H new ATOM 0 HD22 LEU A 117 5.593 14.230 -3.810 1.00 1.17 H new ATOM 0 HD23 LEU A 117 3.872 14.203 -4.259 1.00 1.17 H new ATOM 1756 N GLU A 118 1.067 14.794 -0.176 1.00 0.57 N ATOM 1757 CA GLU A 118 -0.288 15.322 -0.317 1.00 0.70 C ATOM 1758 C GLU A 118 -0.596 16.341 0.778 1.00 0.79 C ATOM 1759 O GLU A 118 -1.610 17.036 0.725 1.00 0.95 O ATOM 1760 CB GLU A 118 -1.313 14.185 -0.296 1.00 0.75 C ATOM 1761 CG GLU A 118 -1.059 13.146 -1.374 1.00 0.78 C ATOM 1762 CD GLU A 118 -2.135 12.085 -1.455 1.00 1.27 C ATOM 1763 OE1 GLU A 118 -2.150 11.194 -0.578 1.00 1.99 O ATOM 1764 OE2 GLU A 118 -2.986 12.151 -2.365 1.00 1.78 O ATOM 0 H GLU A 118 1.110 13.826 0.141 1.00 0.57 H new ATOM 0 HA GLU A 118 -0.353 15.830 -1.279 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.293 13.701 0.681 1.00 0.75 H new ATOM 0 HB3 GLU A 118 -2.312 14.600 -0.426 1.00 0.75 H new ATOM 0 HG2 GLU A 118 -0.980 13.647 -2.339 1.00 0.78 H new ATOM 0 HG3 GLU A 118 -0.099 12.665 -1.185 1.00 0.78 H new ATOM 1771 N GLY A 119 0.287 16.436 1.768 1.00 0.75 N ATOM 1772 CA GLY A 119 0.120 17.437 2.798 1.00 0.86 C ATOM 1773 C GLY A 119 -0.172 16.842 4.156 1.00 0.87 C ATOM 1774 O GLY A 119 -0.353 17.571 5.129 1.00 1.01 O ATOM 0 H GLY A 119 1.109 15.841 1.872 1.00 0.75 H new ATOM 0 HA2 GLY A 119 1.025 18.042 2.859 1.00 0.86 H new ATOM 0 HA3 GLY A 119 -0.693 18.107 2.518 1.00 0.86 H new ATOM 1778 N HIS A 120 -0.212 15.519 4.236 1.00 0.80 N ATOM 1779 CA HIS A 120 -0.444 14.860 5.510 1.00 0.84 C ATOM 1780 C HIS A 120 0.619 13.791 5.742 1.00 0.81 C ATOM 1781 O HIS A 120 0.942 13.026 4.836 1.00 0.84 O ATOM 1782 CB HIS A 120 -1.864 14.265 5.563 1.00 0.86 C ATOM 1783 CG HIS A 120 -1.986 12.841 5.084 1.00 0.77 C ATOM 1784 ND1 HIS A 120 -2.069 11.781 5.954 1.00 0.76 N ATOM 1785 CD2 HIS A 120 -2.046 12.305 3.837 1.00 0.81 C ATOM 1786 CE1 HIS A 120 -2.173 10.660 5.277 1.00 0.83 C ATOM 1787 NE2 HIS A 120 -2.167 10.945 3.986 1.00 0.87 N ATOM 0 H HIS A 120 -0.088 14.889 3.443 1.00 0.80 H new ATOM 0 HA HIS A 120 -0.368 15.595 6.311 1.00 0.84 H new ATOM 0 HB2 HIS A 120 -2.223 14.317 6.591 1.00 0.86 H new ATOM 0 HB3 HIS A 120 -2.524 14.890 4.962 1.00 0.86 H new ATOM 0 HD1 HIS A 120 -2.052 11.853 6.971 1.00 0.76 H new ATOM 0 HD2 HIS A 120 -2.006 12.847 2.904 1.00 0.81 H new ATOM 0 HE1 HIS A 120 -2.250 9.671 5.704 1.00 0.83 H new ATOM 1796 N GLU A 121 1.178 13.763 6.940 1.00 0.93 N ATOM 1797 CA GLU A 121 2.216 12.797 7.268 1.00 1.01 C ATOM 1798 C GLU A 121 1.639 11.393 7.410 1.00 0.79 C ATOM 1799 O GLU A 121 0.424 11.208 7.514 1.00 0.71 O ATOM 1800 CB GLU A 121 2.947 13.193 8.552 1.00 1.31 C ATOM 1801 CG GLU A 121 2.041 13.293 9.768 1.00 1.55 C ATOM 1802 CD GLU A 121 2.799 13.091 11.064 1.00 2.15 C ATOM 1803 OE1 GLU A 121 3.688 13.912 11.365 1.00 2.52 O ATOM 1804 OE2 GLU A 121 2.478 12.145 11.810 1.00 2.75 O ATOM 0 H GLU A 121 0.932 14.396 7.701 1.00 0.93 H new ATOM 0 HA GLU A 121 2.930 12.795 6.445 1.00 1.01 H new ATOM 0 HB2 GLU A 121 3.730 12.462 8.753 1.00 1.31 H new ATOM 0 HB3 GLU A 121 3.439 14.153 8.397 1.00 1.31 H new ATOM 0 HG2 GLU A 121 1.558 14.270 9.780 1.00 1.55 H new ATOM 0 HG3 GLU A 121 1.250 12.547 9.692 1.00 1.55 H new ATOM 1811 N LEU A 122 2.519 10.404 7.392 1.00 0.92 N ATOM 1812 CA LEU A 122 2.111 9.018 7.534 1.00 0.87 C ATOM 1813 C LEU A 122 1.605 8.754 8.946 1.00 0.82 C ATOM 1814 O LEU A 122 2.172 9.251 9.922 1.00 0.95 O ATOM 1815 CB LEU A 122 3.255 8.054 7.220 1.00 1.18 C ATOM 1816 CG LEU A 122 3.802 8.103 5.792 1.00 1.80 C ATOM 1817 CD1 LEU A 122 4.670 9.336 5.570 1.00 2.45 C ATOM 1818 CD2 LEU A 122 4.582 6.836 5.504 1.00 2.70 C ATOM 0 H LEU A 122 3.524 10.538 7.280 1.00 0.92 H new ATOM 0 HA LEU A 122 1.309 8.845 6.816 1.00 0.87 H new ATOM 0 HB2 LEU A 122 4.075 8.258 7.909 1.00 1.18 H new ATOM 0 HB3 LEU A 122 2.914 7.039 7.422 1.00 1.18 H new ATOM 0 HG LEU A 122 2.962 8.171 5.101 1.00 1.80 H new ATOM 0 HD11 LEU A 122 5.042 9.339 4.545 1.00 2.45 H new ATOM 0 HD12 LEU A 122 4.077 10.234 5.744 1.00 2.45 H new ATOM 0 HD13 LEU A 122 5.512 9.317 6.262 1.00 2.45 H new ATOM 0 HD21 LEU A 122 4.971 6.872 4.487 1.00 2.70 H new ATOM 0 HD22 LEU A 122 5.411 6.751 6.207 1.00 2.70 H new ATOM 0 HD23 LEU A 122 3.926 5.972 5.611 1.00 2.70 H new ATOM 1830 N PRO A 123 0.554 7.940 9.058 1.00 0.77 N ATOM 1831 CA PRO A 123 -0.126 7.674 10.319 1.00 0.88 C ATOM 1832 C PRO A 123 0.441 6.462 11.046 1.00 0.92 C ATOM 1833 O PRO A 123 0.059 6.176 12.181 1.00 1.10 O ATOM 1834 CB PRO A 123 -1.548 7.395 9.849 1.00 1.00 C ATOM 1835 CG PRO A 123 -1.376 6.724 8.521 1.00 0.95 C ATOM 1836 CD PRO A 123 -0.066 7.203 7.948 1.00 0.79 C ATOM 0 HA PRO A 123 -0.029 8.491 11.034 1.00 0.88 H new ATOM 0 HB2 PRO A 123 -2.080 6.754 10.552 1.00 1.00 H new ATOM 0 HB3 PRO A 123 -2.124 8.316 9.757 1.00 1.00 H new ATOM 0 HG2 PRO A 123 -1.373 5.640 8.635 1.00 0.95 H new ATOM 0 HG3 PRO A 123 -2.202 6.972 7.854 1.00 0.95 H new ATOM 0 HD2 PRO A 123 0.557 6.370 7.624 1.00 0.79 H new ATOM 0 HD3 PRO A 123 -0.220 7.843 7.079 1.00 0.79 H new ATOM 1844 N ALA A 124 1.344 5.758 10.374 1.00 0.89 N ATOM 1845 CA ALA A 124 1.955 4.547 10.909 1.00 1.09 C ATOM 1846 C ALA A 124 0.916 3.474 11.169 1.00 1.10 C ATOM 1847 O ALA A 124 1.007 2.723 12.141 1.00 1.27 O ATOM 1848 CB ALA A 124 2.773 4.846 12.162 1.00 1.34 C ATOM 0 H ALA A 124 1.674 6.011 9.442 1.00 0.89 H new ATOM 0 HA ALA A 124 2.641 4.162 10.154 1.00 1.09 H new ATOM 0 HB1 ALA A 124 3.215 3.923 12.537 1.00 1.34 H new ATOM 0 HB2 ALA A 124 3.564 5.555 11.919 1.00 1.34 H new ATOM 0 HB3 ALA A 124 2.124 5.274 12.926 1.00 1.34 H new ATOM 1854 N ASP A 125 -0.064 3.393 10.288 1.00 1.00 N ATOM 1855 CA ASP A 125 -0.984 2.283 10.312 1.00 1.03 C ATOM 1856 C ASP A 125 -0.772 1.416 9.088 1.00 0.87 C ATOM 1857 O ASP A 125 -0.586 1.914 7.978 1.00 0.90 O ATOM 1858 CB ASP A 125 -2.443 2.728 10.410 1.00 1.22 C ATOM 1859 CG ASP A 125 -3.085 3.136 9.086 1.00 1.72 C ATOM 1860 OD1 ASP A 125 -2.799 4.251 8.595 1.00 2.14 O ATOM 1861 OD2 ASP A 125 -3.842 2.336 8.513 1.00 2.36 O ATOM 0 H ASP A 125 -0.239 4.079 9.554 1.00 1.00 H new ATOM 0 HA ASP A 125 -0.775 1.705 11.212 1.00 1.03 H new ATOM 0 HB2 ASP A 125 -3.026 1.916 10.844 1.00 1.22 H new ATOM 0 HB3 ASP A 125 -2.505 3.569 11.101 1.00 1.22 H new ATOM 1866 N LEU A 126 -0.752 0.121 9.316 1.00 0.81 N ATOM 1867 CA LEU A 126 -0.588 -0.847 8.249 1.00 0.73 C ATOM 1868 C LEU A 126 -1.848 -1.701 8.123 1.00 0.76 C ATOM 1869 O LEU A 126 -2.007 -2.715 8.811 1.00 0.86 O ATOM 1870 CB LEU A 126 0.628 -1.726 8.514 1.00 0.75 C ATOM 1871 CG LEU A 126 1.060 -2.571 7.323 1.00 0.94 C ATOM 1872 CD1 LEU A 126 1.409 -1.665 6.152 1.00 1.67 C ATOM 1873 CD2 LEU A 126 2.235 -3.455 7.698 1.00 1.83 C ATOM 0 H LEU A 126 -0.849 -0.292 10.244 1.00 0.81 H new ATOM 0 HA LEU A 126 -0.429 -0.316 7.311 1.00 0.73 H new ATOM 0 HB2 LEU A 126 1.461 -1.092 8.817 1.00 0.75 H new ATOM 0 HB3 LEU A 126 0.409 -2.386 9.353 1.00 0.75 H new ATOM 0 HG LEU A 126 0.236 -3.221 7.026 1.00 0.94 H new ATOM 0 HD11 LEU A 126 1.718 -2.273 5.301 1.00 1.67 H new ATOM 0 HD12 LEU A 126 0.536 -1.073 5.877 1.00 1.67 H new ATOM 0 HD13 LEU A 126 2.224 -0.999 6.437 1.00 1.67 H new ATOM 0 HD21 LEU A 126 2.531 -4.052 6.835 1.00 1.83 H new ATOM 0 HD22 LEU A 126 3.073 -2.833 8.013 1.00 1.83 H new ATOM 0 HD23 LEU A 126 1.947 -4.116 8.515 1.00 1.83 H new ATOM 1885 N PRO A 127 -2.779 -1.266 7.272 1.00 0.77 N ATOM 1886 CA PRO A 127 -4.074 -1.900 7.105 1.00 0.89 C ATOM 1887 C PRO A 127 -4.131 -2.845 5.906 1.00 0.85 C ATOM 1888 O PRO A 127 -3.211 -2.880 5.088 1.00 0.77 O ATOM 1889 CB PRO A 127 -4.964 -0.687 6.874 1.00 1.00 C ATOM 1890 CG PRO A 127 -4.093 0.304 6.162 1.00 0.91 C ATOM 1891 CD PRO A 127 -2.658 -0.086 6.416 1.00 0.78 C ATOM 0 HA PRO A 127 -4.351 -2.532 7.949 1.00 0.89 H new ATOM 0 HB2 PRO A 127 -5.837 -0.947 6.275 1.00 1.00 H new ATOM 0 HB3 PRO A 127 -5.333 -0.283 7.817 1.00 1.00 H new ATOM 0 HG2 PRO A 127 -4.307 0.303 5.093 1.00 0.91 H new ATOM 0 HG3 PRO A 127 -4.286 1.314 6.525 1.00 0.91 H new ATOM 0 HD2 PRO A 127 -2.132 -0.313 5.489 1.00 0.78 H new ATOM 0 HD3 PRO A 127 -2.104 0.714 6.908 1.00 0.78 H new ATOM 1899 N PRO A 128 -5.230 -3.614 5.778 1.00 0.99 N ATOM 1900 CA PRO A 128 -5.436 -4.529 4.651 1.00 1.06 C ATOM 1901 C PRO A 128 -5.328 -3.836 3.291 1.00 1.01 C ATOM 1902 O PRO A 128 -4.915 -4.445 2.301 1.00 1.15 O ATOM 1903 CB PRO A 128 -6.857 -5.071 4.861 1.00 1.27 C ATOM 1904 CG PRO A 128 -7.474 -4.206 5.910 1.00 1.34 C ATOM 1905 CD PRO A 128 -6.342 -3.686 6.742 1.00 1.15 C ATOM 0 HA PRO A 128 -4.670 -5.305 4.633 1.00 1.06 H new ATOM 0 HB2 PRO A 128 -7.431 -5.032 3.935 1.00 1.27 H new ATOM 0 HB3 PRO A 128 -6.834 -6.114 5.178 1.00 1.27 H new ATOM 0 HG2 PRO A 128 -8.034 -3.387 5.459 1.00 1.34 H new ATOM 0 HG3 PRO A 128 -8.176 -4.774 6.520 1.00 1.34 H new ATOM 0 HD2 PRO A 128 -6.570 -2.709 7.169 1.00 1.15 H new ATOM 0 HD3 PRO A 128 -6.113 -4.352 7.574 1.00 1.15 H new ATOM 1913 N HIS A 129 -5.670 -2.554 3.246 1.00 0.95 N ATOM 1914 CA HIS A 129 -5.635 -1.809 1.991 1.00 0.96 C ATOM 1915 C HIS A 129 -4.239 -1.254 1.692 1.00 0.94 C ATOM 1916 O HIS A 129 -4.117 -0.289 0.949 1.00 1.22 O ATOM 1917 CB HIS A 129 -6.689 -0.677 1.956 1.00 1.07 C ATOM 1918 CG HIS A 129 -6.669 0.281 3.116 1.00 1.11 C ATOM 1919 ND1 HIS A 129 -7.511 0.162 4.199 1.00 1.27 N ATOM 1920 CD2 HIS A 129 -5.941 1.401 3.336 1.00 1.27 C ATOM 1921 CE1 HIS A 129 -7.304 1.163 5.033 1.00 1.45 C ATOM 1922 NE2 HIS A 129 -6.354 1.931 4.535 1.00 1.48 N ATOM 0 H HIS A 129 -5.972 -2.012 4.055 1.00 0.95 H new ATOM 0 HA HIS A 129 -5.887 -2.523 1.206 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -6.550 -0.107 1.038 1.00 1.07 H new ATOM 0 HB3 HIS A 129 -7.679 -1.131 1.903 1.00 1.07 H new ATOM 0 HD2 HIS A 129 -5.176 1.804 2.688 1.00 1.27 H new ATOM 0 HE1 HIS A 129 -7.824 1.326 5.965 1.00 1.45 H new ATOM 0 HE2 HIS A 129 -5.987 2.778 4.968 1.00 1.48 H new ATOM 1931 N LEU A 130 -3.199 -1.851 2.284 1.00 0.73 N ATOM 1932 CA LEU A 130 -1.802 -1.560 1.916 1.00 0.69 C ATOM 1933 C LEU A 130 -0.914 -2.778 2.130 1.00 0.69 C ATOM 1934 O LEU A 130 0.304 -2.646 2.205 1.00 0.72 O ATOM 1935 CB LEU A 130 -1.209 -0.412 2.738 1.00 0.75 C ATOM 1936 CG LEU A 130 -1.193 0.979 2.093 1.00 0.81 C ATOM 1937 CD1 LEU A 130 -2.459 1.757 2.402 1.00 1.27 C ATOM 1938 CD2 LEU A 130 0.031 1.753 2.555 1.00 1.29 C ATOM 0 H LEU A 130 -3.296 -2.544 3.026 1.00 0.73 H new ATOM 0 HA LEU A 130 -1.828 -1.279 0.863 1.00 0.69 H new ATOM 0 HB2 LEU A 130 -1.765 -0.344 3.673 1.00 0.75 H new ATOM 0 HB3 LEU A 130 -0.183 -0.676 2.996 1.00 0.75 H new ATOM 0 HG LEU A 130 -1.147 0.846 1.012 1.00 0.81 H new ATOM 0 HD11 LEU A 130 -2.409 2.737 1.927 1.00 1.27 H new ATOM 0 HD12 LEU A 130 -3.323 1.213 2.020 1.00 1.27 H new ATOM 0 HD13 LEU A 130 -2.556 1.881 3.481 1.00 1.27 H new ATOM 0 HD21 LEU A 130 0.034 2.740 2.092 1.00 1.29 H new ATOM 0 HD22 LEU A 130 0.005 1.861 3.639 1.00 1.29 H new ATOM 0 HD23 LEU A 130 0.933 1.214 2.266 1.00 1.29 H new ATOM 1950 N VAL A 131 -1.507 -3.962 2.228 1.00 0.76 N ATOM 1951 CA VAL A 131 -0.724 -5.164 2.503 1.00 0.84 C ATOM 1952 C VAL A 131 0.140 -5.541 1.300 1.00 0.76 C ATOM 1953 O VAL A 131 -0.385 -5.915 0.248 1.00 0.76 O ATOM 1954 CB VAL A 131 -1.614 -6.364 2.897 1.00 1.05 C ATOM 1955 CG1 VAL A 131 -0.770 -7.617 3.081 1.00 1.72 C ATOM 1956 CG2 VAL A 131 -2.383 -6.057 4.170 1.00 1.59 C ATOM 0 H VAL A 131 -2.510 -4.117 2.124 1.00 0.76 H new ATOM 0 HA VAL A 131 -0.081 -4.928 3.351 1.00 0.84 H new ATOM 0 HB VAL A 131 -2.327 -6.542 2.092 1.00 1.05 H new ATOM 0 HG11 VAL A 131 -1.414 -8.452 3.358 1.00 1.72 H new ATOM 0 HG12 VAL A 131 -0.256 -7.849 2.148 1.00 1.72 H new ATOM 0 HG13 VAL A 131 -0.035 -7.448 3.868 1.00 1.72 H new ATOM 0 HG21 VAL A 131 -3.005 -6.912 4.434 1.00 1.59 H new ATOM 0 HG22 VAL A 131 -1.681 -5.855 4.979 1.00 1.59 H new ATOM 0 HG23 VAL A 131 -3.015 -5.183 4.011 1.00 1.59 H new ATOM 1966 N PRO A 132 1.474 -5.432 1.433 1.00 0.78 N ATOM 1967 CA PRO A 132 2.405 -5.782 0.360 1.00 0.79 C ATOM 1968 C PRO A 132 2.382 -7.274 0.054 1.00 0.83 C ATOM 1969 O PRO A 132 2.615 -8.107 0.938 1.00 0.85 O ATOM 1970 CB PRO A 132 3.781 -5.373 0.900 1.00 0.90 C ATOM 1971 CG PRO A 132 3.499 -4.496 2.074 1.00 1.04 C ATOM 1972 CD PRO A 132 2.178 -4.942 2.625 1.00 0.88 C ATOM 0 HA PRO A 132 2.146 -5.282 -0.573 1.00 0.79 H new ATOM 0 HB2 PRO A 132 4.364 -6.246 1.193 1.00 0.90 H new ATOM 0 HB3 PRO A 132 4.359 -4.843 0.143 1.00 0.90 H new ATOM 0 HG2 PRO A 132 4.284 -4.587 2.825 1.00 1.04 H new ATOM 0 HG3 PRO A 132 3.462 -3.448 1.777 1.00 1.04 H new ATOM 0 HD2 PRO A 132 2.296 -5.725 3.375 1.00 0.88 H new ATOM 0 HD3 PRO A 132 1.642 -4.122 3.102 1.00 0.88 H new