USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=21 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 68 THR OG1 : rot -9:sc= 0.156 USER MOD Set 1.2: A 71 ASN : amide:sc= -1.58! X(o=-1.4!,f=-1.8) USER MOD Set 2.1: A 53 TYR OH : rot 60:sc= 0.669! USER MOD Set 2.2: A 111 HIS : no HE2:sc= 1.06 K(o=1.7,f=-9.4!) USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= -1.6! (180deg=-3.93!) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= 1.13 (180deg=0.4) USER MOD Single : A 52 THR OG1 : rot 150:sc= 1.28 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 107:sc= 1.19 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+ 140:sc= -1.08! (180deg=-3.57!) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= -0.0389 (180deg=-0.311) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -0.0245 (180deg=-0.334) USER MOD Single : A 76 MET CE :methyl 180:sc= -0.631 (180deg=-0.631) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= 1.18 (180deg=1.05) USER MOD Single : A 79 SER OG : rot -44:sc= 0.991 USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= -0.0457 (180deg=-0.255) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0551 USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= 1.68 (180deg=1.54) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= 0.757 (180deg=0.186) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.462 X(o=-0.46,f=0.014) USER MOD Single : A 114 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.02) USER MOD Single : A 116 LYS NZ :NH3+ -148:sc= 0.297 (180deg=-2.59!) USER MOD Single : A 120 HIS : no HE2:sc= -1.49! C(o=-1.5!,f=-2.9!) USER MOD Single : A 129 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 587 N VAL A 45 -4.486 0.205 -3.730 1.00 0.83 N ATOM 588 CA VAL A 45 -4.230 1.466 -4.440 1.00 0.83 C ATOM 589 C VAL A 45 -2.815 1.555 -5.049 1.00 0.65 C ATOM 590 O VAL A 45 -2.544 2.422 -5.874 1.00 0.73 O ATOM 591 CB VAL A 45 -4.428 2.658 -3.468 1.00 1.00 C ATOM 592 CG1 VAL A 45 -4.456 3.989 -4.208 1.00 1.21 C ATOM 593 CG2 VAL A 45 -5.695 2.481 -2.638 1.00 1.20 C ATOM 0 HA VAL A 45 -4.940 1.503 -5.266 1.00 0.83 H new ATOM 0 HB VAL A 45 -3.572 2.671 -2.794 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -4.596 4.800 -3.493 1.00 1.21 H new ATOM 0 HG12 VAL A 45 -3.514 4.131 -4.737 1.00 1.21 H new ATOM 0 HG13 VAL A 45 -5.278 3.990 -4.924 1.00 1.21 H new ATOM 0 HG21 VAL A 45 -5.810 3.330 -1.965 1.00 1.20 H new ATOM 0 HG22 VAL A 45 -6.559 2.423 -3.300 1.00 1.20 H new ATOM 0 HG23 VAL A 45 -5.623 1.563 -2.055 1.00 1.20 H new ATOM 603 N VAL A 46 -1.907 0.678 -4.652 1.00 0.48 N ATOM 604 CA VAL A 46 -0.567 0.694 -5.217 1.00 0.34 C ATOM 605 C VAL A 46 -0.476 -0.130 -6.494 1.00 0.33 C ATOM 606 O VAL A 46 0.329 0.170 -7.369 1.00 0.40 O ATOM 607 CB VAL A 46 0.502 0.237 -4.184 1.00 0.33 C ATOM 608 CG1 VAL A 46 1.667 -0.475 -4.849 1.00 0.66 C ATOM 609 CG2 VAL A 46 1.013 1.443 -3.423 1.00 0.53 C ATOM 0 H VAL A 46 -2.069 -0.045 -3.951 1.00 0.48 H new ATOM 0 HA VAL A 46 -0.354 1.730 -5.479 1.00 0.34 H new ATOM 0 HB VAL A 46 0.028 -0.469 -3.502 1.00 0.33 H new ATOM 0 HG11 VAL A 46 2.390 -0.777 -4.091 1.00 0.66 H new ATOM 0 HG12 VAL A 46 1.302 -1.358 -5.374 1.00 0.66 H new ATOM 0 HG13 VAL A 46 2.147 0.198 -5.560 1.00 0.66 H new ATOM 0 HG21 VAL A 46 1.762 1.125 -2.698 1.00 0.53 H new ATOM 0 HG22 VAL A 46 1.460 2.151 -4.121 1.00 0.53 H new ATOM 0 HG23 VAL A 46 0.184 1.922 -2.902 1.00 0.53 H new ATOM 619 N GLY A 47 -1.336 -1.125 -6.636 1.00 0.42 N ATOM 620 CA GLY A 47 -1.308 -1.959 -7.827 1.00 0.54 C ATOM 621 C GLY A 47 -1.589 -1.168 -9.095 1.00 0.56 C ATOM 622 O GLY A 47 -1.399 -1.662 -10.202 1.00 0.72 O ATOM 0 H GLY A 47 -2.052 -1.373 -5.953 1.00 0.42 H new ATOM 0 HA2 GLY A 47 -0.332 -2.438 -7.909 1.00 0.54 H new ATOM 0 HA3 GLY A 47 -2.046 -2.755 -7.727 1.00 0.54 H new ATOM 626 N LYS A 48 -2.037 0.071 -8.929 1.00 0.49 N ATOM 627 CA LYS A 48 -2.358 0.923 -10.056 1.00 0.60 C ATOM 628 C LYS A 48 -1.260 1.951 -10.333 1.00 0.54 C ATOM 629 O LYS A 48 -1.072 2.368 -11.473 1.00 0.67 O ATOM 630 CB LYS A 48 -3.694 1.624 -9.811 1.00 0.76 C ATOM 631 CG LYS A 48 -3.837 2.239 -8.430 1.00 0.94 C ATOM 632 CD LYS A 48 -5.249 2.752 -8.163 1.00 1.43 C ATOM 633 CE LYS A 48 -6.244 1.622 -7.907 1.00 2.26 C ATOM 634 NZ LYS A 48 -6.654 0.912 -9.150 1.00 2.97 N ATOM 0 H LYS A 48 -2.185 0.505 -8.018 1.00 0.49 H new ATOM 0 HA LYS A 48 -2.434 0.289 -10.940 1.00 0.60 H new ATOM 0 HB2 LYS A 48 -3.822 2.407 -10.559 1.00 0.76 H new ATOM 0 HB3 LYS A 48 -4.500 0.906 -9.960 1.00 0.76 H new ATOM 0 HG2 LYS A 48 -3.575 1.497 -7.676 1.00 0.94 H new ATOM 0 HG3 LYS A 48 -3.129 3.062 -8.327 1.00 0.94 H new ATOM 0 HD2 LYS A 48 -5.233 3.419 -7.301 1.00 1.43 H new ATOM 0 HD3 LYS A 48 -5.585 3.341 -9.016 1.00 1.43 H new ATOM 0 HE2 LYS A 48 -5.801 0.905 -7.216 1.00 2.26 H new ATOM 0 HE3 LYS A 48 -7.130 2.029 -7.419 1.00 2.26 H new ATOM 0 HZ1 LYS A 48 -7.668 0.684 -9.102 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 -6.475 1.522 -9.973 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 -6.106 0.033 -9.245 1.00 2.97 H new ATOM 648 N ASP A 49 -0.514 2.335 -9.303 1.00 0.45 N ATOM 649 CA ASP A 49 0.501 3.380 -9.455 1.00 0.50 C ATOM 650 C ASP A 49 1.901 2.805 -9.237 1.00 0.40 C ATOM 651 O ASP A 49 2.895 3.534 -9.220 1.00 0.40 O ATOM 652 CB ASP A 49 0.227 4.541 -8.483 1.00 0.68 C ATOM 653 CG ASP A 49 1.091 5.767 -8.757 1.00 1.09 C ATOM 654 OD1 ASP A 49 1.375 6.055 -9.939 1.00 1.58 O ATOM 655 OD2 ASP A 49 1.479 6.454 -7.786 1.00 1.83 O ATOM 0 H ASP A 49 -0.588 1.946 -8.363 1.00 0.45 H new ATOM 0 HA ASP A 49 0.449 3.768 -10.472 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -0.824 4.822 -8.550 1.00 0.68 H new ATOM 0 HB3 ASP A 49 0.402 4.201 -7.462 1.00 0.68 H new ATOM 660 N LYS A 50 1.975 1.483 -9.094 1.00 0.37 N ATOM 661 CA LYS A 50 3.246 0.796 -8.938 1.00 0.35 C ATOM 662 C LYS A 50 4.200 1.103 -10.089 1.00 0.35 C ATOM 663 O LYS A 50 5.374 1.319 -9.837 1.00 0.35 O ATOM 664 CB LYS A 50 3.086 -0.727 -8.831 1.00 0.39 C ATOM 665 CG LYS A 50 4.426 -1.420 -8.620 1.00 0.48 C ATOM 666 CD LYS A 50 4.372 -2.907 -8.901 1.00 0.63 C ATOM 667 CE LYS A 50 5.779 -3.482 -8.946 1.00 0.80 C ATOM 668 NZ LYS A 50 5.787 -4.934 -9.250 1.00 1.13 N ATOM 0 H LYS A 50 1.162 0.867 -9.084 1.00 0.37 H new ATOM 0 HA LYS A 50 3.663 1.171 -8.004 1.00 0.35 H new ATOM 0 HB2 LYS A 50 2.418 -0.966 -8.003 1.00 0.39 H new ATOM 0 HB3 LYS A 50 2.618 -1.109 -9.738 1.00 0.39 H new ATOM 0 HG2 LYS A 50 5.173 -0.960 -9.267 1.00 0.48 H new ATOM 0 HG3 LYS A 50 4.753 -1.261 -7.593 1.00 0.48 H new ATOM 0 HD2 LYS A 50 3.790 -3.410 -8.129 1.00 0.63 H new ATOM 0 HD3 LYS A 50 3.867 -3.088 -9.850 1.00 0.63 H new ATOM 0 HE2 LYS A 50 6.361 -2.952 -9.700 1.00 0.80 H new ATOM 0 HE3 LYS A 50 6.269 -3.312 -7.987 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 6.704 -5.197 -9.664 1.00 1.13 H new ATOM 0 HZ2 LYS A 50 5.635 -5.473 -8.374 1.00 1.13 H new ATOM 0 HZ3 LYS A 50 5.027 -5.151 -9.926 1.00 1.13 H new ATOM 682 N PRO A 51 3.735 1.108 -11.368 1.00 0.39 N ATOM 683 CA PRO A 51 4.586 1.419 -12.519 1.00 0.43 C ATOM 684 C PRO A 51 5.483 2.633 -12.296 1.00 0.37 C ATOM 685 O PRO A 51 6.594 2.685 -12.814 1.00 0.36 O ATOM 686 CB PRO A 51 3.597 1.685 -13.663 1.00 0.56 C ATOM 687 CG PRO A 51 2.229 1.587 -13.064 1.00 0.55 C ATOM 688 CD PRO A 51 2.374 0.776 -11.814 1.00 0.45 C ATOM 0 HA PRO A 51 5.276 0.600 -12.721 1.00 0.43 H new ATOM 0 HB2 PRO A 51 3.762 2.671 -14.098 1.00 0.56 H new ATOM 0 HB3 PRO A 51 3.724 0.957 -14.464 1.00 0.56 H new ATOM 0 HG2 PRO A 51 1.830 2.577 -12.841 1.00 0.55 H new ATOM 0 HG3 PRO A 51 1.534 1.112 -13.757 1.00 0.55 H new ATOM 0 HD2 PRO A 51 1.627 1.045 -11.068 1.00 0.45 H new ATOM 0 HD3 PRO A 51 2.261 -0.291 -12.008 1.00 0.45 H new ATOM 696 N THR A 52 5.011 3.576 -11.490 1.00 0.36 N ATOM 697 CA THR A 52 5.755 4.787 -11.202 1.00 0.36 C ATOM 698 C THR A 52 6.921 4.472 -10.266 1.00 0.29 C ATOM 699 O THR A 52 8.062 4.893 -10.476 1.00 0.32 O ATOM 700 CB THR A 52 4.830 5.833 -10.543 1.00 0.44 C ATOM 701 OG1 THR A 52 3.654 6.020 -11.347 1.00 0.60 O ATOM 702 CG2 THR A 52 5.541 7.164 -10.367 1.00 0.50 C ATOM 0 H THR A 52 4.106 3.520 -11.022 1.00 0.36 H new ATOM 0 HA THR A 52 6.143 5.191 -12.137 1.00 0.36 H new ATOM 0 HB THR A 52 4.549 5.461 -9.558 1.00 0.44 H new ATOM 0 HG1 THR A 52 2.898 6.259 -10.771 1.00 0.60 H new ATOM 0 HG21 THR A 52 4.864 7.879 -9.901 1.00 0.50 H new ATOM 0 HG22 THR A 52 6.417 7.027 -9.733 1.00 0.50 H new ATOM 0 HG23 THR A 52 5.853 7.541 -11.341 1.00 0.50 H new ATOM 710 N TYR A 53 6.641 3.672 -9.257 1.00 0.25 N ATOM 711 CA TYR A 53 7.635 3.381 -8.239 1.00 0.24 C ATOM 712 C TYR A 53 8.568 2.287 -8.719 1.00 0.22 C ATOM 713 O TYR A 53 9.711 2.191 -8.290 1.00 0.24 O ATOM 714 CB TYR A 53 6.967 2.884 -6.972 1.00 0.27 C ATOM 715 CG TYR A 53 5.661 3.553 -6.611 1.00 0.31 C ATOM 716 CD1 TYR A 53 5.543 4.933 -6.536 1.00 0.81 C ATOM 717 CD2 TYR A 53 4.536 2.785 -6.342 1.00 0.64 C ATOM 718 CE1 TYR A 53 4.343 5.523 -6.199 1.00 0.94 C ATOM 719 CE2 TYR A 53 3.337 3.368 -6.002 1.00 0.68 C ATOM 720 CZ TYR A 53 3.244 4.733 -5.931 1.00 0.62 C ATOM 721 OH TYR A 53 2.044 5.311 -5.588 1.00 0.79 O ATOM 0 H TYR A 53 5.740 3.214 -9.119 1.00 0.25 H new ATOM 0 HA TYR A 53 8.187 4.300 -8.042 1.00 0.24 H new ATOM 0 HB2 TYR A 53 6.789 1.813 -7.074 1.00 0.27 H new ATOM 0 HB3 TYR A 53 7.662 3.014 -6.142 1.00 0.27 H new ATOM 0 HD1 TYR A 53 6.402 5.553 -6.744 1.00 0.81 H new ATOM 0 HD2 TYR A 53 4.603 1.709 -6.401 1.00 0.64 H new ATOM 0 HE1 TYR A 53 4.264 6.599 -6.145 1.00 0.94 H new ATOM 0 HE2 TYR A 53 2.474 2.753 -5.792 1.00 0.68 H new ATOM 0 HH TYR A 53 1.742 5.894 -6.315 1.00 0.79 H new ATOM 731 N ASP A 54 8.058 1.481 -9.633 1.00 0.21 N ATOM 732 CA ASP A 54 8.800 0.365 -10.209 1.00 0.23 C ATOM 733 C ASP A 54 9.780 0.888 -11.250 1.00 0.22 C ATOM 734 O ASP A 54 10.896 0.383 -11.389 1.00 0.23 O ATOM 735 CB ASP A 54 7.800 -0.612 -10.842 1.00 0.31 C ATOM 736 CG ASP A 54 8.429 -1.649 -11.756 1.00 0.58 C ATOM 737 OD1 ASP A 54 8.751 -1.314 -12.911 1.00 1.14 O ATOM 738 OD2 ASP A 54 8.656 -2.786 -11.294 1.00 1.16 O ATOM 0 H ASP A 54 7.112 1.580 -10.001 1.00 0.21 H new ATOM 0 HA ASP A 54 9.368 -0.154 -9.437 1.00 0.23 H new ATOM 0 HB2 ASP A 54 7.260 -1.126 -10.047 1.00 0.31 H new ATOM 0 HB3 ASP A 54 7.065 -0.043 -11.410 1.00 0.31 H new ATOM 743 N GLU A 55 9.365 1.926 -11.975 1.00 0.24 N ATOM 744 CA GLU A 55 10.249 2.561 -12.942 1.00 0.28 C ATOM 745 C GLU A 55 11.382 3.269 -12.216 1.00 0.29 C ATOM 746 O GLU A 55 12.521 3.241 -12.671 1.00 0.35 O ATOM 747 CB GLU A 55 9.481 3.517 -13.873 1.00 0.35 C ATOM 748 CG GLU A 55 8.903 4.743 -13.195 1.00 0.40 C ATOM 749 CD GLU A 55 9.675 6.000 -13.532 1.00 0.88 C ATOM 750 OE1 GLU A 55 10.663 6.301 -12.843 1.00 1.63 O ATOM 751 OE2 GLU A 55 9.304 6.688 -14.506 1.00 1.38 O ATOM 0 H GLU A 55 8.434 2.338 -11.911 1.00 0.24 H new ATOM 0 HA GLU A 55 10.678 1.788 -13.580 1.00 0.28 H new ATOM 0 HB2 GLU A 55 10.151 3.842 -14.669 1.00 0.35 H new ATOM 0 HB3 GLU A 55 8.669 2.965 -14.346 1.00 0.35 H new ATOM 0 HG2 GLU A 55 7.863 4.866 -13.496 1.00 0.40 H new ATOM 0 HG3 GLU A 55 8.907 4.595 -12.115 1.00 0.40 H new ATOM 758 N ILE A 56 11.084 3.861 -11.061 1.00 0.27 N ATOM 759 CA ILE A 56 12.134 4.440 -10.233 1.00 0.30 C ATOM 760 C ILE A 56 12.978 3.319 -9.622 1.00 0.27 C ATOM 761 O ILE A 56 14.192 3.446 -9.467 1.00 0.30 O ATOM 762 CB ILE A 56 11.547 5.336 -9.122 1.00 0.34 C ATOM 763 CG1 ILE A 56 10.617 6.388 -9.733 1.00 0.42 C ATOM 764 CG2 ILE A 56 12.667 6.014 -8.340 1.00 0.36 C ATOM 765 CD1 ILE A 56 9.769 7.113 -8.715 1.00 0.61 C ATOM 0 H ILE A 56 10.140 3.951 -10.684 1.00 0.27 H new ATOM 0 HA ILE A 56 12.763 5.069 -10.863 1.00 0.30 H new ATOM 0 HB ILE A 56 10.973 4.713 -8.436 1.00 0.34 H new ATOM 0 HG12 ILE A 56 11.216 7.117 -10.279 1.00 0.42 H new ATOM 0 HG13 ILE A 56 9.963 5.905 -10.459 1.00 0.42 H new ATOM 0 HG21 ILE A 56 12.237 6.643 -7.560 1.00 0.36 H new ATOM 0 HG22 ILE A 56 13.304 5.255 -7.885 1.00 0.36 H new ATOM 0 HG23 ILE A 56 13.261 6.629 -9.015 1.00 0.36 H new ATOM 0 HD11 ILE A 56 9.136 7.842 -9.221 1.00 0.61 H new ATOM 0 HD12 ILE A 56 9.143 6.395 -8.185 1.00 0.61 H new ATOM 0 HD13 ILE A 56 10.415 7.626 -8.002 1.00 0.61 H new ATOM 777 N PHE A 57 12.317 2.207 -9.326 1.00 0.24 N ATOM 778 CA PHE A 57 12.960 1.017 -8.777 1.00 0.22 C ATOM 779 C PHE A 57 14.094 0.532 -9.678 1.00 0.24 C ATOM 780 O PHE A 57 15.243 0.440 -9.248 1.00 0.32 O ATOM 781 CB PHE A 57 11.905 -0.079 -8.595 1.00 0.20 C ATOM 782 CG PHE A 57 12.431 -1.394 -8.112 1.00 0.19 C ATOM 783 CD1 PHE A 57 12.787 -1.575 -6.786 1.00 0.83 C ATOM 784 CD2 PHE A 57 12.546 -2.461 -8.983 1.00 0.85 C ATOM 785 CE1 PHE A 57 13.248 -2.794 -6.345 1.00 0.83 C ATOM 786 CE2 PHE A 57 13.002 -3.684 -8.545 1.00 0.88 C ATOM 787 CZ PHE A 57 13.355 -3.852 -7.226 1.00 0.28 C ATOM 0 H PHE A 57 11.311 2.104 -9.461 1.00 0.24 H new ATOM 0 HA PHE A 57 13.401 1.265 -7.811 1.00 0.22 H new ATOM 0 HB2 PHE A 57 11.154 0.275 -7.889 1.00 0.20 H new ATOM 0 HB3 PHE A 57 11.399 -0.236 -9.547 1.00 0.20 H new ATOM 0 HD1 PHE A 57 12.702 -0.752 -6.092 1.00 0.83 H new ATOM 0 HD2 PHE A 57 12.275 -2.334 -10.021 1.00 0.85 H new ATOM 0 HE1 PHE A 57 13.526 -2.923 -5.310 1.00 0.83 H new ATOM 0 HE2 PHE A 57 13.082 -4.510 -9.236 1.00 0.88 H new ATOM 0 HZ PHE A 57 13.715 -4.810 -6.880 1.00 0.28 H new ATOM 797 N TYR A 58 13.776 0.241 -10.937 1.00 0.26 N ATOM 798 CA TYR A 58 14.788 -0.215 -11.892 1.00 0.29 C ATOM 799 C TYR A 58 15.766 0.909 -12.234 1.00 0.33 C ATOM 800 O TYR A 58 16.902 0.660 -12.635 1.00 0.37 O ATOM 801 CB TYR A 58 14.128 -0.756 -13.163 1.00 0.33 C ATOM 802 CG TYR A 58 13.506 -2.121 -12.986 1.00 0.34 C ATOM 803 CD1 TYR A 58 12.251 -2.262 -12.410 1.00 1.00 C ATOM 804 CD2 TYR A 58 14.171 -3.267 -13.396 1.00 0.88 C ATOM 805 CE1 TYR A 58 11.674 -3.508 -12.253 1.00 1.03 C ATOM 806 CE2 TYR A 58 13.598 -4.515 -13.246 1.00 0.92 C ATOM 807 CZ TYR A 58 12.375 -4.638 -12.644 1.00 0.50 C ATOM 808 OH TYR A 58 11.776 -5.873 -12.528 1.00 0.61 O ATOM 0 H TYR A 58 12.833 0.311 -11.320 1.00 0.26 H new ATOM 0 HA TYR A 58 15.350 -1.023 -11.424 1.00 0.29 H new ATOM 0 HB2 TYR A 58 13.360 -0.055 -13.490 1.00 0.33 H new ATOM 0 HB3 TYR A 58 14.873 -0.805 -13.957 1.00 0.33 H new ATOM 0 HD1 TYR A 58 11.717 -1.384 -12.079 1.00 1.00 H new ATOM 0 HD2 TYR A 58 15.152 -3.182 -13.839 1.00 0.88 H new ATOM 0 HE1 TYR A 58 10.685 -3.600 -11.829 1.00 1.03 H new ATOM 0 HE2 TYR A 58 14.115 -5.393 -13.604 1.00 0.92 H new ATOM 0 HH TYR A 58 12.392 -6.566 -12.843 1.00 0.61 H new ATOM 818 N THR A 59 15.323 2.139 -12.041 1.00 0.33 N ATOM 819 CA THR A 59 16.159 3.306 -12.261 1.00 0.38 C ATOM 820 C THR A 59 17.255 3.398 -11.190 1.00 0.38 C ATOM 821 O THR A 59 18.345 3.914 -11.440 1.00 0.44 O ATOM 822 CB THR A 59 15.292 4.590 -12.280 1.00 0.40 C ATOM 823 OG1 THR A 59 14.505 4.625 -13.480 1.00 0.44 O ATOM 824 CG2 THR A 59 16.123 5.853 -12.192 1.00 0.44 C ATOM 0 H THR A 59 14.377 2.357 -11.728 1.00 0.33 H new ATOM 0 HA THR A 59 16.647 3.207 -13.231 1.00 0.38 H new ATOM 0 HB THR A 59 14.649 4.556 -11.401 1.00 0.40 H new ATOM 0 HG1 THR A 59 13.569 4.431 -13.263 1.00 0.44 H new ATOM 0 HG21 THR A 59 15.466 6.723 -12.209 1.00 0.44 H new ATOM 0 HG22 THR A 59 16.695 5.848 -11.264 1.00 0.44 H new ATOM 0 HG23 THR A 59 16.807 5.898 -13.039 1.00 0.44 H new ATOM 832 N LEU A 60 16.979 2.859 -10.007 1.00 0.33 N ATOM 833 CA LEU A 60 17.954 2.868 -8.921 1.00 0.35 C ATOM 834 C LEU A 60 18.880 1.652 -9.003 1.00 0.36 C ATOM 835 O LEU A 60 19.822 1.536 -8.220 1.00 0.45 O ATOM 836 CB LEU A 60 17.249 2.895 -7.560 1.00 0.35 C ATOM 837 CG LEU A 60 16.384 4.124 -7.286 1.00 0.49 C ATOM 838 CD1 LEU A 60 15.857 4.075 -5.867 1.00 0.79 C ATOM 839 CD2 LEU A 60 17.173 5.402 -7.510 1.00 0.76 C ATOM 0 H LEU A 60 16.092 2.412 -9.776 1.00 0.33 H new ATOM 0 HA LEU A 60 18.557 3.770 -9.025 1.00 0.35 H new ATOM 0 HB2 LEU A 60 16.622 2.007 -7.479 1.00 0.35 H new ATOM 0 HB3 LEU A 60 18.005 2.824 -6.778 1.00 0.35 H new ATOM 0 HG LEU A 60 15.544 4.119 -7.981 1.00 0.49 H new ATOM 0 HD11 LEU A 60 15.241 4.954 -5.677 1.00 0.79 H new ATOM 0 HD12 LEU A 60 15.257 3.175 -5.733 1.00 0.79 H new ATOM 0 HD13 LEU A 60 16.694 4.061 -5.168 1.00 0.79 H new ATOM 0 HD21 LEU A 60 16.536 6.263 -7.309 1.00 0.76 H new ATOM 0 HD22 LEU A 60 18.032 5.422 -6.839 1.00 0.76 H new ATOM 0 HD23 LEU A 60 17.518 5.440 -8.543 1.00 0.76 H new ATOM 851 N SER A 61 18.601 0.770 -9.968 1.00 0.33 N ATOM 852 CA SER A 61 19.375 -0.458 -10.186 1.00 0.36 C ATOM 853 C SER A 61 19.170 -1.460 -9.049 1.00 0.33 C ATOM 854 O SER A 61 19.930 -1.491 -8.080 1.00 0.37 O ATOM 855 CB SER A 61 20.867 -0.151 -10.374 1.00 0.45 C ATOM 856 OG SER A 61 21.618 -1.335 -10.598 1.00 0.64 O ATOM 0 H SER A 61 17.828 0.888 -10.623 1.00 0.33 H new ATOM 0 HA SER A 61 19.004 -0.913 -11.104 1.00 0.36 H new ATOM 0 HB2 SER A 61 20.996 0.528 -11.217 1.00 0.45 H new ATOM 0 HB3 SER A 61 21.248 0.361 -9.491 1.00 0.45 H new ATOM 0 HG SER A 61 22.563 -1.105 -10.715 1.00 0.64 H new ATOM 862 N PRO A 62 18.124 -2.292 -9.160 1.00 0.29 N ATOM 863 CA PRO A 62 17.819 -3.320 -8.167 1.00 0.31 C ATOM 864 C PRO A 62 18.722 -4.547 -8.266 1.00 0.32 C ATOM 865 O PRO A 62 19.230 -4.885 -9.340 1.00 0.46 O ATOM 866 CB PRO A 62 16.379 -3.709 -8.495 1.00 0.37 C ATOM 867 CG PRO A 62 16.217 -3.418 -9.946 1.00 0.36 C ATOM 868 CD PRO A 62 17.137 -2.271 -10.258 1.00 0.29 C ATOM 0 HA PRO A 62 17.970 -2.945 -7.155 1.00 0.31 H new ATOM 0 HB2 PRO A 62 16.197 -4.762 -8.282 1.00 0.37 H new ATOM 0 HB3 PRO A 62 15.670 -3.136 -7.897 1.00 0.37 H new ATOM 0 HG2 PRO A 62 16.469 -4.292 -10.547 1.00 0.36 H new ATOM 0 HG3 PRO A 62 15.183 -3.160 -10.177 1.00 0.36 H new ATOM 0 HD2 PRO A 62 17.617 -2.398 -11.228 1.00 0.29 H new ATOM 0 HD3 PRO A 62 16.597 -1.325 -10.291 1.00 0.29 H new ATOM 876 N VAL A 63 18.912 -5.210 -7.135 1.00 0.33 N ATOM 877 CA VAL A 63 19.690 -6.429 -7.067 1.00 0.42 C ATOM 878 C VAL A 63 18.836 -7.589 -6.554 1.00 0.44 C ATOM 879 O VAL A 63 18.245 -7.511 -5.476 1.00 0.45 O ATOM 880 CB VAL A 63 20.938 -6.252 -6.170 1.00 0.58 C ATOM 881 CG1 VAL A 63 21.967 -5.358 -6.851 1.00 1.33 C ATOM 882 CG2 VAL A 63 20.557 -5.685 -4.806 1.00 1.28 C ATOM 0 H VAL A 63 18.528 -4.913 -6.238 1.00 0.33 H new ATOM 0 HA VAL A 63 20.027 -6.659 -8.078 1.00 0.42 H new ATOM 0 HB VAL A 63 21.382 -7.235 -6.016 1.00 0.58 H new ATOM 0 HG11 VAL A 63 22.837 -5.246 -6.204 1.00 1.33 H new ATOM 0 HG12 VAL A 63 22.273 -5.809 -7.795 1.00 1.33 H new ATOM 0 HG13 VAL A 63 21.528 -4.379 -7.042 1.00 1.33 H new ATOM 0 HG21 VAL A 63 21.453 -5.571 -4.196 1.00 1.28 H new ATOM 0 HG22 VAL A 63 20.080 -4.713 -4.936 1.00 1.28 H new ATOM 0 HG23 VAL A 63 19.865 -6.365 -4.310 1.00 1.28 H new ATOM 892 N ASN A 64 18.735 -8.642 -7.366 1.00 0.54 N ATOM 893 CA ASN A 64 18.012 -9.866 -6.997 1.00 0.63 C ATOM 894 C ASN A 64 16.521 -9.607 -6.778 1.00 0.55 C ATOM 895 O ASN A 64 15.839 -10.366 -6.086 1.00 0.60 O ATOM 896 CB ASN A 64 18.637 -10.508 -5.748 1.00 0.71 C ATOM 897 CG ASN A 64 19.791 -11.436 -6.087 1.00 1.08 C ATOM 898 OD1 ASN A 64 19.594 -12.637 -6.261 1.00 1.42 O ATOM 899 ND2 ASN A 64 20.997 -10.894 -6.190 1.00 1.67 N ATOM 0 H ASN A 64 19.150 -8.673 -8.297 1.00 0.54 H new ATOM 0 HA ASN A 64 18.102 -10.560 -7.833 1.00 0.63 H new ATOM 0 HB2 ASN A 64 18.990 -9.724 -5.078 1.00 0.71 H new ATOM 0 HB3 ASN A 64 17.872 -11.067 -5.209 1.00 0.71 H new ATOM 0 HD21 ASN A 64 21.801 -11.478 -6.421 1.00 1.67 H new ATOM 0 HD22 ASN A 64 21.121 -9.893 -6.038 1.00 1.67 H new ATOM 906 N GLY A 65 16.011 -8.553 -7.395 1.00 0.49 N ATOM 907 CA GLY A 65 14.598 -8.252 -7.298 1.00 0.50 C ATOM 908 C GLY A 65 14.259 -7.422 -6.080 1.00 0.39 C ATOM 909 O GLY A 65 13.251 -7.663 -5.421 1.00 0.49 O ATOM 0 H GLY A 65 16.551 -7.899 -7.962 1.00 0.49 H new ATOM 0 HA2 GLY A 65 14.282 -7.719 -8.195 1.00 0.50 H new ATOM 0 HA3 GLY A 65 14.034 -9.184 -7.266 1.00 0.50 H new ATOM 913 N LYS A 66 15.145 -6.502 -5.733 1.00 0.33 N ATOM 914 CA LYS A 66 14.860 -5.487 -4.733 1.00 0.26 C ATOM 915 C LYS A 66 15.980 -4.475 -4.715 1.00 0.21 C ATOM 916 O LYS A 66 17.063 -4.732 -5.231 1.00 0.27 O ATOM 917 CB LYS A 66 14.701 -6.074 -3.325 1.00 0.30 C ATOM 918 CG LYS A 66 15.969 -6.687 -2.760 1.00 0.75 C ATOM 919 CD LYS A 66 16.144 -8.132 -3.188 1.00 0.61 C ATOM 920 CE LYS A 66 15.252 -9.067 -2.383 1.00 1.21 C ATOM 921 NZ LYS A 66 13.840 -9.060 -2.862 1.00 1.82 N ATOM 0 H LYS A 66 16.080 -6.438 -6.136 1.00 0.33 H new ATOM 0 HA LYS A 66 13.914 -5.021 -5.007 1.00 0.26 H new ATOM 0 HB2 LYS A 66 14.360 -5.287 -2.652 1.00 0.30 H new ATOM 0 HB3 LYS A 66 13.921 -6.835 -3.347 1.00 0.30 H new ATOM 0 HG2 LYS A 66 16.830 -6.105 -3.089 1.00 0.75 H new ATOM 0 HG3 LYS A 66 15.944 -6.632 -1.672 1.00 0.75 H new ATOM 0 HD2 LYS A 66 15.911 -8.229 -4.248 1.00 0.61 H new ATOM 0 HD3 LYS A 66 17.186 -8.425 -3.063 1.00 0.61 H new ATOM 0 HE2 LYS A 66 15.647 -10.081 -2.441 1.00 1.21 H new ATOM 0 HE3 LYS A 66 15.278 -8.775 -1.333 1.00 1.21 H new ATOM 0 HZ1 LYS A 66 13.462 -10.029 -2.843 1.00 1.82 H new ATOM 0 HZ2 LYS A 66 13.266 -8.452 -2.243 1.00 1.82 H new ATOM 0 HZ3 LYS A 66 13.805 -8.694 -3.835 1.00 1.82 H new ATOM 935 N ILE A 67 15.720 -3.331 -4.130 1.00 0.18 N ATOM 936 CA ILE A 67 16.769 -2.373 -3.883 1.00 0.20 C ATOM 937 C ILE A 67 17.334 -2.581 -2.498 1.00 0.19 C ATOM 938 O ILE A 67 16.584 -2.787 -1.540 1.00 0.21 O ATOM 939 CB ILE A 67 16.284 -0.918 -4.014 1.00 0.25 C ATOM 940 CG1 ILE A 67 14.902 -0.756 -3.382 1.00 0.29 C ATOM 941 CG2 ILE A 67 16.284 -0.489 -5.471 1.00 0.41 C ATOM 942 CD1 ILE A 67 14.273 0.595 -3.623 1.00 0.35 C ATOM 0 H ILE A 67 14.793 -3.042 -3.817 1.00 0.18 H new ATOM 0 HA ILE A 67 17.535 -2.537 -4.641 1.00 0.20 H new ATOM 0 HB ILE A 67 16.973 -0.267 -3.476 1.00 0.25 H new ATOM 0 HG12 ILE A 67 14.241 -1.529 -3.775 1.00 0.29 H new ATOM 0 HG13 ILE A 67 14.983 -0.922 -2.308 1.00 0.29 H new ATOM 0 HG21 ILE A 67 15.939 0.542 -5.547 1.00 0.41 H new ATOM 0 HG22 ILE A 67 17.295 -0.563 -5.872 1.00 0.41 H new ATOM 0 HG23 ILE A 67 15.619 -1.137 -6.041 1.00 0.41 H new ATOM 0 HD11 ILE A 67 13.295 0.632 -3.143 1.00 0.35 H new ATOM 0 HD12 ILE A 67 14.911 1.373 -3.205 1.00 0.35 H new ATOM 0 HD13 ILE A 67 14.158 0.757 -4.695 1.00 0.35 H new ATOM 954 N THR A 68 18.651 -2.568 -2.400 1.00 0.24 N ATOM 955 CA THR A 68 19.294 -2.532 -1.109 1.00 0.30 C ATOM 956 C THR A 68 18.830 -1.278 -0.400 1.00 0.36 C ATOM 957 O THR A 68 18.775 -0.216 -1.004 1.00 0.70 O ATOM 958 CB THR A 68 20.829 -2.546 -1.236 1.00 0.44 C ATOM 959 OG1 THR A 68 21.253 -1.660 -2.284 1.00 0.65 O ATOM 960 CG2 THR A 68 21.332 -3.956 -1.514 1.00 0.55 C ATOM 0 H THR A 68 19.289 -2.582 -3.196 1.00 0.24 H new ATOM 0 HA THR A 68 19.021 -3.421 -0.540 1.00 0.30 H new ATOM 0 HB THR A 68 21.251 -2.204 -0.291 1.00 0.44 H new ATOM 0 HG1 THR A 68 20.471 -1.350 -2.787 1.00 0.65 H new ATOM 0 HG21 THR A 68 22.419 -3.944 -1.600 1.00 0.55 H new ATOM 0 HG22 THR A 68 21.040 -4.614 -0.696 1.00 0.55 H new ATOM 0 HG23 THR A 68 20.898 -4.320 -2.445 1.00 0.55 H new ATOM 968 N GLY A 69 18.467 -1.404 0.861 1.00 0.29 N ATOM 969 CA GLY A 69 17.761 -0.339 1.536 1.00 0.31 C ATOM 970 C GLY A 69 18.411 1.027 1.453 1.00 0.31 C ATOM 971 O GLY A 69 17.711 2.026 1.486 1.00 0.38 O ATOM 0 H GLY A 69 18.649 -2.228 1.434 1.00 0.29 H new ATOM 0 HA2 GLY A 69 16.756 -0.270 1.119 1.00 0.31 H new ATOM 0 HA3 GLY A 69 17.652 -0.607 2.587 1.00 0.31 H new ATOM 975 N ALA A 70 19.731 1.077 1.323 1.00 0.33 N ATOM 976 CA ALA A 70 20.443 2.346 1.145 1.00 0.37 C ATOM 977 C ALA A 70 19.919 3.136 -0.061 1.00 0.35 C ATOM 978 O ALA A 70 20.001 4.366 -0.092 1.00 0.39 O ATOM 979 CB ALA A 70 21.933 2.086 0.994 1.00 0.44 C ATOM 0 H ALA A 70 20.335 0.255 1.337 1.00 0.33 H new ATOM 0 HA ALA A 70 20.265 2.952 2.033 1.00 0.37 H new ATOM 0 HB1 ALA A 70 22.456 3.033 0.862 1.00 0.44 H new ATOM 0 HB2 ALA A 70 22.307 1.586 1.887 1.00 0.44 H new ATOM 0 HB3 ALA A 70 22.105 1.452 0.124 1.00 0.44 H new ATOM 985 N ASN A 71 19.374 2.430 -1.047 1.00 0.35 N ATOM 986 CA ASN A 71 18.876 3.065 -2.265 1.00 0.37 C ATOM 987 C ASN A 71 17.504 3.672 -1.997 1.00 0.34 C ATOM 988 O ASN A 71 17.161 4.742 -2.495 1.00 0.34 O ATOM 989 CB ASN A 71 18.771 2.060 -3.429 1.00 0.47 C ATOM 990 CG ASN A 71 19.796 0.928 -3.389 1.00 1.01 C ATOM 991 OD1 ASN A 71 19.539 -0.168 -3.887 1.00 2.11 O ATOM 992 ND2 ASN A 71 20.949 1.161 -2.784 1.00 1.00 N ATOM 0 H ASN A 71 19.265 1.416 -1.027 1.00 0.35 H new ATOM 0 HA ASN A 71 19.584 3.842 -2.552 1.00 0.37 H new ATOM 0 HB2 ASN A 71 17.771 1.627 -3.428 1.00 0.47 H new ATOM 0 HB3 ASN A 71 18.883 2.600 -4.369 1.00 0.47 H new ATOM 0 HD21 ASN A 71 21.651 0.423 -2.722 1.00 1.00 H new ATOM 0 HD22 ASN A 71 21.137 2.078 -2.380 1.00 1.00 H new ATOM 999 N ALA A 72 16.733 2.980 -1.184 1.00 0.35 N ATOM 1000 CA ALA A 72 15.420 3.448 -0.791 1.00 0.35 C ATOM 1001 C ALA A 72 15.548 4.556 0.239 1.00 0.31 C ATOM 1002 O ALA A 72 14.724 5.467 0.289 1.00 0.30 O ATOM 1003 CB ALA A 72 14.610 2.292 -0.250 1.00 0.42 C ATOM 0 H ALA A 72 16.997 2.082 -0.779 1.00 0.35 H new ATOM 0 HA ALA A 72 14.903 3.855 -1.660 1.00 0.35 H new ATOM 0 HB1 ALA A 72 13.622 2.646 0.045 1.00 0.42 H new ATOM 0 HB2 ALA A 72 14.506 1.528 -1.021 1.00 0.42 H new ATOM 0 HB3 ALA A 72 15.117 1.867 0.616 1.00 0.42 H new ATOM 1009 N LYS A 73 16.598 4.484 1.050 1.00 0.31 N ATOM 1010 CA LYS A 73 16.911 5.554 1.980 1.00 0.31 C ATOM 1011 C LYS A 73 17.275 6.787 1.185 1.00 0.29 C ATOM 1012 O LYS A 73 16.947 7.902 1.565 1.00 0.30 O ATOM 1013 CB LYS A 73 18.056 5.163 2.923 1.00 0.37 C ATOM 1014 CG LYS A 73 17.748 3.940 3.772 1.00 0.39 C ATOM 1015 CD LYS A 73 16.464 4.119 4.565 1.00 0.44 C ATOM 1016 CE LYS A 73 16.641 5.096 5.717 1.00 0.85 C ATOM 1017 NZ LYS A 73 17.573 4.565 6.745 1.00 1.69 N ATOM 0 H LYS A 73 17.244 3.695 1.079 1.00 0.31 H new ATOM 0 HA LYS A 73 16.039 5.753 2.603 1.00 0.31 H new ATOM 0 HB2 LYS A 73 18.953 4.971 2.334 1.00 0.37 H new ATOM 0 HB3 LYS A 73 18.280 6.004 3.579 1.00 0.37 H new ATOM 0 HG2 LYS A 73 17.661 3.063 3.130 1.00 0.39 H new ATOM 0 HG3 LYS A 73 18.576 3.753 4.456 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.675 4.477 3.903 1.00 0.44 H new ATOM 0 HD3 LYS A 73 16.140 3.154 4.954 1.00 0.44 H new ATOM 0 HE2 LYS A 73 17.020 6.044 5.336 1.00 0.85 H new ATOM 0 HE3 LYS A 73 15.673 5.301 6.174 1.00 0.85 H new ATOM 0 HZ1 LYS A 73 17.431 5.077 7.639 1.00 1.69 H new ATOM 0 HZ2 LYS A 73 17.387 3.552 6.892 1.00 1.69 H new ATOM 0 HZ3 LYS A 73 18.554 4.694 6.424 1.00 1.69 H new ATOM 1031 N LYS A 74 17.917 6.555 0.050 1.00 0.31 N ATOM 1032 CA LYS A 74 18.245 7.612 -0.888 1.00 0.34 C ATOM 1033 C LYS A 74 16.969 8.308 -1.345 1.00 0.31 C ATOM 1034 O LYS A 74 16.873 9.534 -1.325 1.00 0.33 O ATOM 1035 CB LYS A 74 18.966 7.020 -2.098 1.00 0.44 C ATOM 1036 CG LYS A 74 19.843 8.011 -2.820 1.00 0.83 C ATOM 1037 CD LYS A 74 21.098 8.282 -2.022 1.00 1.02 C ATOM 1038 CE LYS A 74 21.990 7.050 -1.956 1.00 0.96 C ATOM 1039 NZ LYS A 74 22.466 6.646 -3.305 1.00 1.35 N ATOM 0 H LYS A 74 18.224 5.628 -0.245 1.00 0.31 H new ATOM 0 HA LYS A 74 18.895 8.337 -0.398 1.00 0.34 H new ATOM 0 HB2 LYS A 74 19.576 6.178 -1.771 1.00 0.44 H new ATOM 0 HB3 LYS A 74 18.226 6.626 -2.795 1.00 0.44 H new ATOM 0 HG2 LYS A 74 20.107 7.624 -3.804 1.00 0.83 H new ATOM 0 HG3 LYS A 74 19.297 8.941 -2.979 1.00 0.83 H new ATOM 0 HD2 LYS A 74 21.648 9.107 -2.474 1.00 1.02 H new ATOM 0 HD3 LYS A 74 20.829 8.593 -1.013 1.00 1.02 H new ATOM 0 HE2 LYS A 74 22.846 7.254 -1.313 1.00 0.96 H new ATOM 0 HE3 LYS A 74 21.440 6.226 -1.502 1.00 0.96 H new ATOM 0 HZ1 LYS A 74 23.279 6.005 -3.209 1.00 1.35 H new ATOM 0 HZ2 LYS A 74 21.700 6.159 -3.812 1.00 1.35 H new ATOM 0 HZ3 LYS A 74 22.753 7.491 -3.839 1.00 1.35 H new ATOM 1053 N GLU A 75 15.997 7.501 -1.745 1.00 0.34 N ATOM 1054 CA GLU A 75 14.688 8.003 -2.185 1.00 0.38 C ATOM 1055 C GLU A 75 14.010 8.859 -1.119 1.00 0.34 C ATOM 1056 O GLU A 75 13.608 9.998 -1.373 1.00 0.38 O ATOM 1057 CB GLU A 75 13.767 6.839 -2.553 1.00 0.47 C ATOM 1058 CG GLU A 75 14.043 6.239 -3.918 1.00 0.62 C ATOM 1059 CD GLU A 75 13.889 7.250 -5.035 1.00 0.96 C ATOM 1060 OE1 GLU A 75 12.765 7.759 -5.228 1.00 1.36 O ATOM 1061 OE2 GLU A 75 14.892 7.539 -5.715 1.00 1.48 O ATOM 0 H GLU A 75 16.085 6.485 -1.777 1.00 0.34 H new ATOM 0 HA GLU A 75 14.868 8.629 -3.059 1.00 0.38 H new ATOM 0 HB2 GLU A 75 13.866 6.059 -1.798 1.00 0.47 H new ATOM 0 HB3 GLU A 75 12.733 7.184 -2.522 1.00 0.47 H new ATOM 0 HG2 GLU A 75 15.055 5.833 -3.936 1.00 0.62 H new ATOM 0 HG3 GLU A 75 13.362 5.405 -4.090 1.00 0.62 H new ATOM 1068 N MET A 76 13.889 8.323 0.074 1.00 0.31 N ATOM 1069 CA MET A 76 13.226 9.042 1.145 1.00 0.32 C ATOM 1070 C MET A 76 14.083 10.223 1.623 1.00 0.31 C ATOM 1071 O MET A 76 13.563 11.214 2.124 1.00 0.36 O ATOM 1072 CB MET A 76 12.863 8.087 2.284 1.00 0.33 C ATOM 1073 CG MET A 76 13.976 7.142 2.669 1.00 0.50 C ATOM 1074 SD MET A 76 13.509 6.037 4.016 1.00 0.65 S ATOM 1075 CE MET A 76 12.277 5.002 3.217 1.00 0.46 C ATOM 0 H MET A 76 14.237 7.399 0.329 1.00 0.31 H new ATOM 0 HA MET A 76 12.295 9.462 0.765 1.00 0.32 H new ATOM 0 HB2 MET A 76 12.578 8.672 3.158 1.00 0.33 H new ATOM 0 HB3 MET A 76 11.990 7.504 1.992 1.00 0.33 H new ATOM 0 HG2 MET A 76 14.262 6.550 1.800 1.00 0.50 H new ATOM 0 HG3 MET A 76 14.852 7.719 2.964 1.00 0.50 H new ATOM 0 HE1 MET A 76 11.899 4.270 3.931 1.00 0.46 H new ATOM 0 HE2 MET A 76 11.454 5.623 2.863 1.00 0.46 H new ATOM 0 HE3 MET A 76 12.730 4.484 2.372 1.00 0.46 H new ATOM 1085 N VAL A 77 15.390 10.139 1.422 1.00 0.30 N ATOM 1086 CA VAL A 77 16.277 11.268 1.698 1.00 0.34 C ATOM 1087 C VAL A 77 16.027 12.415 0.715 1.00 0.37 C ATOM 1088 O VAL A 77 15.900 13.574 1.117 1.00 0.41 O ATOM 1089 CB VAL A 77 17.768 10.842 1.646 1.00 0.39 C ATOM 1090 CG1 VAL A 77 18.676 12.011 1.287 1.00 0.59 C ATOM 1091 CG2 VAL A 77 18.188 10.250 2.982 1.00 0.42 C ATOM 0 H VAL A 77 15.862 9.306 1.070 1.00 0.30 H new ATOM 0 HA VAL A 77 16.054 11.615 2.707 1.00 0.34 H new ATOM 0 HB VAL A 77 17.870 10.089 0.865 1.00 0.39 H new ATOM 0 HG11 VAL A 77 19.712 11.672 1.261 1.00 0.59 H new ATOM 0 HG12 VAL A 77 18.397 12.401 0.308 1.00 0.59 H new ATOM 0 HG13 VAL A 77 18.570 12.797 2.035 1.00 0.59 H new ATOM 0 HG21 VAL A 77 19.236 9.954 2.935 1.00 0.42 H new ATOM 0 HG22 VAL A 77 18.056 10.994 3.767 1.00 0.42 H new ATOM 0 HG23 VAL A 77 17.574 9.377 3.202 1.00 0.42 H new ATOM 1101 N LYS A 78 15.925 12.089 -0.572 1.00 0.39 N ATOM 1102 CA LYS A 78 15.779 13.107 -1.608 1.00 0.45 C ATOM 1103 C LYS A 78 14.375 13.713 -1.602 1.00 0.48 C ATOM 1104 O LYS A 78 14.161 14.799 -2.140 1.00 0.59 O ATOM 1105 CB LYS A 78 16.085 12.515 -2.986 1.00 0.54 C ATOM 1106 CG LYS A 78 15.087 11.458 -3.416 1.00 0.76 C ATOM 1107 CD LYS A 78 15.407 10.885 -4.780 1.00 0.84 C ATOM 1108 CE LYS A 78 16.685 10.064 -4.767 1.00 1.08 C ATOM 1109 NZ LYS A 78 16.820 9.238 -5.994 1.00 1.20 N ATOM 0 H LYS A 78 15.941 11.131 -0.921 1.00 0.39 H new ATOM 0 HA LYS A 78 16.493 13.902 -1.392 1.00 0.45 H new ATOM 0 HB2 LYS A 78 16.096 13.317 -3.724 1.00 0.54 H new ATOM 0 HB3 LYS A 78 17.084 12.079 -2.973 1.00 0.54 H new ATOM 0 HG2 LYS A 78 15.074 10.654 -2.681 1.00 0.76 H new ATOM 0 HG3 LYS A 78 14.087 11.891 -3.432 1.00 0.76 H new ATOM 0 HD2 LYS A 78 14.578 10.261 -5.114 1.00 0.84 H new ATOM 0 HD3 LYS A 78 15.505 11.697 -5.500 1.00 0.84 H new ATOM 0 HE2 LYS A 78 17.544 10.729 -4.680 1.00 1.08 H new ATOM 0 HE3 LYS A 78 16.693 9.417 -3.890 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 17.825 9.035 -6.167 1.00 1.20 H new ATOM 0 HZ2 LYS A 78 16.303 8.344 -5.870 1.00 1.20 H new ATOM 0 HZ3 LYS A 78 16.427 9.755 -6.806 1.00 1.20 H new ATOM 1123 N SER A 79 13.430 13.014 -0.976 1.00 0.44 N ATOM 1124 CA SER A 79 12.036 13.465 -0.924 1.00 0.51 C ATOM 1125 C SER A 79 11.860 14.745 -0.084 1.00 0.55 C ATOM 1126 O SER A 79 10.735 15.210 0.105 1.00 0.64 O ATOM 1127 CB SER A 79 11.137 12.350 -0.385 1.00 0.53 C ATOM 1128 OG SER A 79 11.411 12.071 0.974 1.00 1.37 O ATOM 0 H SER A 79 13.603 12.131 -0.496 1.00 0.44 H new ATOM 0 HA SER A 79 11.741 13.709 -1.945 1.00 0.51 H new ATOM 0 HB2 SER A 79 10.092 12.640 -0.494 1.00 0.53 H new ATOM 0 HB3 SER A 79 11.281 11.447 -0.978 1.00 0.53 H new ATOM 0 HG SER A 79 12.381 12.039 1.112 1.00 1.37 H new ATOM 1134 N LYS A 80 12.977 15.298 0.415 1.00 0.54 N ATOM 1135 CA LYS A 80 12.990 16.603 1.096 1.00 0.61 C ATOM 1136 C LYS A 80 12.392 16.496 2.492 1.00 0.62 C ATOM 1137 O LYS A 80 11.836 17.466 3.021 1.00 0.75 O ATOM 1138 CB LYS A 80 12.232 17.657 0.279 1.00 0.70 C ATOM 1139 CG LYS A 80 12.759 17.831 -1.135 1.00 1.01 C ATOM 1140 CD LYS A 80 11.926 18.827 -1.927 1.00 1.31 C ATOM 1141 CE LYS A 80 12.469 19.012 -3.335 1.00 1.94 C ATOM 1142 NZ LYS A 80 13.859 19.542 -3.326 1.00 2.65 N ATOM 0 H LYS A 80 13.894 14.855 0.358 1.00 0.54 H new ATOM 0 HA LYS A 80 14.030 16.916 1.187 1.00 0.61 H new ATOM 0 HB2 LYS A 80 11.179 17.379 0.233 1.00 0.70 H new ATOM 0 HB3 LYS A 80 12.287 18.614 0.798 1.00 0.70 H new ATOM 0 HG2 LYS A 80 13.794 18.170 -1.098 1.00 1.01 H new ATOM 0 HG3 LYS A 80 12.757 16.868 -1.645 1.00 1.01 H new ATOM 0 HD2 LYS A 80 10.893 18.481 -1.977 1.00 1.31 H new ATOM 0 HD3 LYS A 80 11.916 19.787 -1.411 1.00 1.31 H new ATOM 0 HE2 LYS A 80 12.447 18.058 -3.861 1.00 1.94 H new ATOM 0 HE3 LYS A 80 11.823 19.695 -3.887 1.00 1.94 H new ATOM 0 HZ1 LYS A 80 14.109 19.876 -4.278 1.00 2.65 H new ATOM 0 HZ2 LYS A 80 13.925 20.332 -2.653 1.00 2.65 H new ATOM 0 HZ3 LYS A 80 14.516 18.788 -3.040 1.00 2.65 H new ATOM 1156 N LEU A 81 12.524 15.328 3.093 1.00 0.66 N ATOM 1157 CA LEU A 81 11.961 15.080 4.408 1.00 0.69 C ATOM 1158 C LEU A 81 13.053 14.964 5.466 1.00 0.73 C ATOM 1159 O LEU A 81 14.224 14.757 5.135 1.00 0.75 O ATOM 1160 CB LEU A 81 11.139 13.795 4.382 1.00 0.70 C ATOM 1161 CG LEU A 81 10.060 13.733 3.298 1.00 0.68 C ATOM 1162 CD1 LEU A 81 9.369 12.384 3.309 1.00 1.16 C ATOM 1163 CD2 LEU A 81 9.045 14.844 3.486 1.00 1.08 C ATOM 0 H LEU A 81 13.019 14.532 2.689 1.00 0.66 H new ATOM 0 HA LEU A 81 11.322 15.925 4.667 1.00 0.69 H new ATOM 0 HB2 LEU A 81 11.817 12.952 4.246 1.00 0.70 H new ATOM 0 HB3 LEU A 81 10.663 13.668 5.354 1.00 0.70 H new ATOM 0 HG LEU A 81 10.544 13.868 2.331 1.00 0.68 H new ATOM 0 HD11 LEU A 81 8.606 12.360 2.531 1.00 1.16 H new ATOM 0 HD12 LEU A 81 10.101 11.598 3.123 1.00 1.16 H new ATOM 0 HD13 LEU A 81 8.902 12.222 4.281 1.00 1.16 H new ATOM 0 HD21 LEU A 81 8.288 14.781 2.705 1.00 1.08 H new ATOM 0 HD22 LEU A 81 8.570 14.741 4.461 1.00 1.08 H new ATOM 0 HD23 LEU A 81 9.547 15.810 3.427 1.00 1.08 H new ATOM 1175 N PRO A 82 12.684 15.105 6.748 1.00 0.78 N ATOM 1176 CA PRO A 82 13.601 14.901 7.857 1.00 0.84 C ATOM 1177 C PRO A 82 13.740 13.426 8.200 1.00 0.75 C ATOM 1178 O PRO A 82 12.798 12.645 8.017 1.00 0.70 O ATOM 1179 CB PRO A 82 12.936 15.660 9.001 1.00 0.95 C ATOM 1180 CG PRO A 82 11.478 15.569 8.712 1.00 0.91 C ATOM 1181 CD PRO A 82 11.338 15.485 7.216 1.00 0.82 C ATOM 0 HA PRO A 82 14.612 15.245 7.637 1.00 0.84 H new ATOM 0 HB2 PRO A 82 13.178 15.215 9.966 1.00 0.95 H new ATOM 0 HB3 PRO A 82 13.270 16.697 9.036 1.00 0.95 H new ATOM 0 HG2 PRO A 82 11.042 14.692 9.191 1.00 0.91 H new ATOM 0 HG3 PRO A 82 10.951 16.440 9.102 1.00 0.91 H new ATOM 0 HD2 PRO A 82 10.592 14.745 6.927 1.00 0.82 H new ATOM 0 HD3 PRO A 82 11.023 16.438 6.791 1.00 0.82 H new ATOM 1189 N ASN A 83 14.908 13.066 8.709 1.00 0.79 N ATOM 1190 CA ASN A 83 15.254 11.675 9.023 1.00 0.72 C ATOM 1191 C ASN A 83 14.196 10.985 9.883 1.00 0.65 C ATOM 1192 O ASN A 83 14.005 9.776 9.780 1.00 0.61 O ATOM 1193 CB ASN A 83 16.612 11.618 9.732 1.00 0.82 C ATOM 1194 CG ASN A 83 17.758 12.033 8.831 1.00 1.10 C ATOM 1195 OD1 ASN A 83 18.068 13.219 8.705 1.00 1.53 O ATOM 1196 ND2 ASN A 83 18.407 11.065 8.211 1.00 1.16 N ATOM 0 H ASN A 83 15.653 13.730 8.920 1.00 0.79 H new ATOM 0 HA ASN A 83 15.303 11.139 8.075 1.00 0.72 H new ATOM 0 HB2 ASN A 83 16.589 12.268 10.607 1.00 0.82 H new ATOM 0 HB3 ASN A 83 16.787 10.604 10.093 1.00 0.82 H new ATOM 0 HD21 ASN A 83 19.195 11.287 7.603 1.00 1.16 H new ATOM 0 HD22 ASN A 83 18.121 10.095 8.340 1.00 1.16 H new ATOM 1203 N THR A 84 13.501 11.751 10.711 1.00 0.67 N ATOM 1204 CA THR A 84 12.476 11.198 11.584 1.00 0.67 C ATOM 1205 C THR A 84 11.337 10.585 10.762 1.00 0.58 C ATOM 1206 O THR A 84 10.932 9.434 10.977 1.00 0.53 O ATOM 1207 CB THR A 84 11.917 12.296 12.500 1.00 0.77 C ATOM 1208 OG1 THR A 84 12.965 13.224 12.816 1.00 1.11 O ATOM 1209 CG2 THR A 84 11.357 11.710 13.785 1.00 1.24 C ATOM 0 H THR A 84 13.629 12.759 10.797 1.00 0.67 H new ATOM 0 HA THR A 84 12.930 10.415 12.192 1.00 0.67 H new ATOM 0 HB THR A 84 11.107 12.803 11.976 1.00 0.77 H new ATOM 0 HG1 THR A 84 12.613 13.928 13.399 1.00 1.11 H new ATOM 0 HG21 THR A 84 10.969 12.513 14.412 1.00 1.24 H new ATOM 0 HG22 THR A 84 10.552 11.014 13.547 1.00 1.24 H new ATOM 0 HG23 THR A 84 12.147 11.182 14.319 1.00 1.24 H new ATOM 1217 N VAL A 85 10.848 11.363 9.801 1.00 0.59 N ATOM 1218 CA VAL A 85 9.778 10.920 8.920 1.00 0.55 C ATOM 1219 C VAL A 85 10.237 9.737 8.087 1.00 0.49 C ATOM 1220 O VAL A 85 9.504 8.771 7.933 1.00 0.45 O ATOM 1221 CB VAL A 85 9.292 12.059 7.999 1.00 0.60 C ATOM 1222 CG1 VAL A 85 8.182 11.580 7.076 1.00 0.56 C ATOM 1223 CG2 VAL A 85 8.815 13.240 8.832 1.00 0.72 C ATOM 0 H VAL A 85 11.180 12.309 9.614 1.00 0.59 H new ATOM 0 HA VAL A 85 8.940 10.615 9.546 1.00 0.55 H new ATOM 0 HB VAL A 85 10.131 12.378 7.380 1.00 0.60 H new ATOM 0 HG11 VAL A 85 7.859 12.403 6.438 1.00 0.56 H new ATOM 0 HG12 VAL A 85 8.552 10.764 6.456 1.00 0.56 H new ATOM 0 HG13 VAL A 85 7.339 11.230 7.672 1.00 0.56 H new ATOM 0 HG21 VAL A 85 8.475 14.037 8.171 1.00 0.72 H new ATOM 0 HG22 VAL A 85 7.992 12.924 9.473 1.00 0.72 H new ATOM 0 HG23 VAL A 85 9.636 13.606 9.449 1.00 0.72 H new ATOM 1233 N LEU A 86 11.470 9.795 7.586 1.00 0.50 N ATOM 1234 CA LEU A 86 12.010 8.707 6.775 1.00 0.50 C ATOM 1235 C LEU A 86 12.133 7.437 7.593 1.00 0.40 C ATOM 1236 O LEU A 86 11.865 6.345 7.100 1.00 0.38 O ATOM 1237 CB LEU A 86 13.379 9.063 6.186 1.00 0.62 C ATOM 1238 CG LEU A 86 13.373 10.121 5.083 1.00 0.72 C ATOM 1239 CD1 LEU A 86 11.959 10.461 4.648 1.00 1.45 C ATOM 1240 CD2 LEU A 86 14.109 11.362 5.542 1.00 1.34 C ATOM 0 H LEU A 86 12.109 10.578 7.726 1.00 0.50 H new ATOM 0 HA LEU A 86 11.311 8.546 5.954 1.00 0.50 H new ATOM 0 HB2 LEU A 86 14.022 9.411 6.994 1.00 0.62 H new ATOM 0 HB3 LEU A 86 13.830 8.154 5.789 1.00 0.62 H new ATOM 0 HG LEU A 86 13.891 9.709 4.217 1.00 0.72 H new ATOM 0 HD11 LEU A 86 11.992 11.216 3.863 1.00 1.45 H new ATOM 0 HD12 LEU A 86 11.469 9.564 4.269 1.00 1.45 H new ATOM 0 HD13 LEU A 86 11.399 10.847 5.500 1.00 1.45 H new ATOM 0 HD21 LEU A 86 14.097 12.107 4.747 1.00 1.34 H new ATOM 0 HD22 LEU A 86 13.620 11.768 6.427 1.00 1.34 H new ATOM 0 HD23 LEU A 86 15.141 11.105 5.783 1.00 1.34 H new ATOM 1252 N GLY A 87 12.539 7.592 8.845 1.00 0.39 N ATOM 1253 CA GLY A 87 12.657 6.458 9.733 1.00 0.39 C ATOM 1254 C GLY A 87 11.344 5.716 9.880 1.00 0.33 C ATOM 1255 O GLY A 87 11.300 4.479 9.795 1.00 0.37 O ATOM 0 H GLY A 87 12.790 8.489 9.262 1.00 0.39 H new ATOM 0 HA2 GLY A 87 13.418 5.777 9.353 1.00 0.39 H new ATOM 0 HA3 GLY A 87 12.994 6.797 10.713 1.00 0.39 H new ATOM 1259 N LYS A 88 10.258 6.455 10.086 1.00 0.34 N ATOM 1260 CA LYS A 88 8.967 5.807 10.265 1.00 0.37 C ATOM 1261 C LYS A 88 8.338 5.418 8.925 1.00 0.34 C ATOM 1262 O LYS A 88 7.579 4.457 8.866 1.00 0.41 O ATOM 1263 CB LYS A 88 8.002 6.647 11.111 1.00 0.49 C ATOM 1264 CG LYS A 88 7.682 8.020 10.557 1.00 0.65 C ATOM 1265 CD LYS A 88 6.452 8.599 11.238 1.00 0.98 C ATOM 1266 CE LYS A 88 6.180 10.031 10.812 1.00 1.52 C ATOM 1267 NZ LYS A 88 4.818 10.484 11.215 1.00 1.66 N ATOM 0 H LYS A 88 10.245 7.474 10.132 1.00 0.34 H new ATOM 0 HA LYS A 88 9.157 4.889 10.821 1.00 0.37 H new ATOM 0 HB2 LYS A 88 7.070 6.094 11.226 1.00 0.49 H new ATOM 0 HB3 LYS A 88 8.428 6.766 12.107 1.00 0.49 H new ATOM 0 HG2 LYS A 88 8.533 8.685 10.705 1.00 0.65 H new ATOM 0 HG3 LYS A 88 7.512 7.954 9.482 1.00 0.65 H new ATOM 0 HD2 LYS A 88 5.585 7.981 11.004 1.00 0.98 H new ATOM 0 HD3 LYS A 88 6.587 8.563 12.319 1.00 0.98 H new ATOM 0 HE2 LYS A 88 6.927 10.689 11.255 1.00 1.52 H new ATOM 0 HE3 LYS A 88 6.284 10.114 9.730 1.00 1.52 H new ATOM 0 HZ1 LYS A 88 4.698 11.487 10.966 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 4.102 9.916 10.719 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 4.703 10.366 12.242 1.00 1.66 H new ATOM 1281 N ILE A 89 8.658 6.143 7.850 1.00 0.30 N ATOM 1282 CA ILE A 89 8.245 5.720 6.513 1.00 0.31 C ATOM 1283 C ILE A 89 8.845 4.359 6.199 1.00 0.26 C ATOM 1284 O ILE A 89 8.157 3.460 5.721 1.00 0.28 O ATOM 1285 CB ILE A 89 8.672 6.719 5.411 1.00 0.37 C ATOM 1286 CG1 ILE A 89 7.904 8.033 5.555 1.00 0.71 C ATOM 1287 CG2 ILE A 89 8.443 6.125 4.021 1.00 0.56 C ATOM 1288 CD1 ILE A 89 8.265 9.067 4.511 1.00 1.15 C ATOM 0 H ILE A 89 9.193 7.011 7.879 1.00 0.30 H new ATOM 0 HA ILE A 89 7.156 5.675 6.518 1.00 0.31 H new ATOM 0 HB ILE A 89 9.737 6.919 5.529 1.00 0.37 H new ATOM 0 HG12 ILE A 89 6.835 7.827 5.495 1.00 0.71 H new ATOM 0 HG13 ILE A 89 8.094 8.448 6.545 1.00 0.71 H new ATOM 0 HG21 ILE A 89 8.750 6.845 3.263 1.00 0.56 H new ATOM 0 HG22 ILE A 89 9.030 5.213 3.914 1.00 0.56 H new ATOM 0 HG23 ILE A 89 7.385 5.893 3.894 1.00 0.56 H new ATOM 0 HD11 ILE A 89 7.680 9.972 4.677 1.00 1.15 H new ATOM 0 HD12 ILE A 89 9.327 9.303 4.584 1.00 1.15 H new ATOM 0 HD13 ILE A 89 8.049 8.673 3.518 1.00 1.15 H new ATOM 1300 N TRP A 90 10.136 4.218 6.485 1.00 0.24 N ATOM 1301 CA TRP A 90 10.837 2.968 6.259 1.00 0.22 C ATOM 1302 C TRP A 90 10.168 1.824 7.002 1.00 0.23 C ATOM 1303 O TRP A 90 9.773 0.831 6.399 1.00 0.25 O ATOM 1304 CB TRP A 90 12.294 3.059 6.707 1.00 0.22 C ATOM 1305 CG TRP A 90 13.019 1.758 6.539 1.00 0.23 C ATOM 1306 CD1 TRP A 90 13.235 0.800 7.489 1.00 0.30 C ATOM 1307 CD2 TRP A 90 13.589 1.259 5.328 1.00 0.21 C ATOM 1308 NE1 TRP A 90 13.921 -0.259 6.939 1.00 0.30 N ATOM 1309 CE2 TRP A 90 14.145 -0.004 5.612 1.00 0.25 C ATOM 1310 CE3 TRP A 90 13.675 1.754 4.029 1.00 0.22 C ATOM 1311 CZ2 TRP A 90 14.797 -0.766 4.643 1.00 0.28 C ATOM 1312 CZ3 TRP A 90 14.318 0.998 3.074 1.00 0.28 C ATOM 1313 CH2 TRP A 90 14.864 -0.254 3.381 1.00 0.30 C ATOM 0 H TRP A 90 10.716 4.961 6.875 1.00 0.24 H new ATOM 0 HA TRP A 90 10.802 2.776 5.187 1.00 0.22 H new ATOM 0 HB2 TRP A 90 12.802 3.833 6.132 1.00 0.22 H new ATOM 0 HB3 TRP A 90 12.333 3.362 7.753 1.00 0.22 H new ATOM 0 HD1 TRP A 90 12.915 0.864 8.519 1.00 0.30 H new ATOM 0 HE1 TRP A 90 14.215 -1.098 7.439 1.00 0.30 H new ATOM 0 HE3 TRP A 90 13.246 2.712 3.775 1.00 0.22 H new ATOM 0 HZ2 TRP A 90 15.232 -1.725 4.883 1.00 0.28 H new ATOM 0 HZ3 TRP A 90 14.403 1.379 2.067 1.00 0.28 H new ATOM 0 HH2 TRP A 90 15.348 -0.826 2.603 1.00 0.30 H new ATOM 1324 N LYS A 91 10.039 1.974 8.316 1.00 0.26 N ATOM 1325 CA LYS A 91 9.524 0.895 9.146 1.00 0.30 C ATOM 1326 C LYS A 91 8.031 0.661 8.906 1.00 0.31 C ATOM 1327 O LYS A 91 7.459 -0.313 9.398 1.00 0.42 O ATOM 1328 CB LYS A 91 9.804 1.173 10.621 1.00 0.40 C ATOM 1329 CG LYS A 91 9.038 2.342 11.203 1.00 1.08 C ATOM 1330 CD LYS A 91 9.213 2.389 12.701 1.00 1.26 C ATOM 1331 CE LYS A 91 10.642 2.721 13.086 1.00 2.03 C ATOM 1332 NZ LYS A 91 11.079 4.030 12.540 1.00 2.54 N ATOM 0 H LYS A 91 10.282 2.825 8.824 1.00 0.26 H new ATOM 0 HA LYS A 91 10.045 -0.020 8.862 1.00 0.30 H new ATOM 0 HB2 LYS A 91 9.566 0.278 11.196 1.00 0.40 H new ATOM 0 HB3 LYS A 91 10.871 1.358 10.745 1.00 0.40 H new ATOM 0 HG2 LYS A 91 9.390 3.273 10.759 1.00 1.08 H new ATOM 0 HG3 LYS A 91 7.980 2.251 10.956 1.00 1.08 H new ATOM 0 HD2 LYS A 91 8.539 3.134 13.123 1.00 1.26 H new ATOM 0 HD3 LYS A 91 8.934 1.427 13.131 1.00 1.26 H new ATOM 0 HE2 LYS A 91 10.730 2.734 14.172 1.00 2.03 H new ATOM 0 HE3 LYS A 91 11.306 1.937 12.722 1.00 2.03 H new ATOM 0 HZ1 LYS A 91 11.938 4.343 13.035 1.00 2.54 H new ATOM 0 HZ2 LYS A 91 11.281 3.933 11.524 1.00 2.54 H new ATOM 0 HZ3 LYS A 91 10.325 4.733 12.677 1.00 2.54 H new ATOM 1346 N LEU A 92 7.404 1.563 8.163 1.00 0.27 N ATOM 1347 CA LEU A 92 6.013 1.399 7.779 1.00 0.33 C ATOM 1348 C LEU A 92 5.915 0.718 6.410 1.00 0.34 C ATOM 1349 O LEU A 92 4.986 -0.047 6.156 1.00 0.47 O ATOM 1350 CB LEU A 92 5.307 2.759 7.752 1.00 0.37 C ATOM 1351 CG LEU A 92 3.781 2.702 7.833 1.00 0.49 C ATOM 1352 CD1 LEU A 92 3.335 2.215 9.205 1.00 0.86 C ATOM 1353 CD2 LEU A 92 3.185 4.068 7.543 1.00 0.61 C ATOM 0 H LEU A 92 7.840 2.417 7.815 1.00 0.27 H new ATOM 0 HA LEU A 92 5.519 0.766 8.516 1.00 0.33 H new ATOM 0 HB2 LEU A 92 5.677 3.359 8.583 1.00 0.37 H new ATOM 0 HB3 LEU A 92 5.587 3.278 6.835 1.00 0.37 H new ATOM 0 HG LEU A 92 3.424 1.997 7.082 1.00 0.49 H new ATOM 0 HD11 LEU A 92 2.246 2.181 9.243 1.00 0.86 H new ATOM 0 HD12 LEU A 92 3.735 1.217 9.385 1.00 0.86 H new ATOM 0 HD13 LEU A 92 3.704 2.897 9.971 1.00 0.86 H new ATOM 0 HD21 LEU A 92 2.098 4.011 7.604 1.00 0.61 H new ATOM 0 HD22 LEU A 92 3.553 4.788 8.274 1.00 0.61 H new ATOM 0 HD23 LEU A 92 3.476 4.387 6.542 1.00 0.61 H new ATOM 1365 N ALA A 93 6.886 0.989 5.534 1.00 0.30 N ATOM 1366 CA ALA A 93 6.880 0.422 4.188 1.00 0.37 C ATOM 1367 C ALA A 93 7.554 -0.950 4.138 1.00 0.37 C ATOM 1368 O ALA A 93 7.054 -1.872 3.490 1.00 0.45 O ATOM 1369 CB ALA A 93 7.561 1.374 3.216 1.00 0.43 C ATOM 0 H ALA A 93 7.682 1.595 5.734 1.00 0.30 H new ATOM 0 HA ALA A 93 5.839 0.286 3.896 1.00 0.37 H new ATOM 0 HB1 ALA A 93 7.551 0.941 2.216 1.00 0.43 H new ATOM 0 HB2 ALA A 93 7.029 2.325 3.205 1.00 0.43 H new ATOM 0 HB3 ALA A 93 8.592 1.538 3.530 1.00 0.43 H new ATOM 1375 N ASP A 94 8.687 -1.090 4.819 1.00 0.32 N ATOM 1376 CA ASP A 94 9.404 -2.359 4.836 1.00 0.38 C ATOM 1377 C ASP A 94 8.828 -3.255 5.915 1.00 0.45 C ATOM 1378 O ASP A 94 9.161 -3.124 7.091 1.00 0.49 O ATOM 1379 CB ASP A 94 10.905 -2.149 5.062 1.00 0.35 C ATOM 1380 CG ASP A 94 11.696 -3.441 4.998 1.00 0.47 C ATOM 1381 OD1 ASP A 94 11.143 -4.471 4.543 1.00 0.61 O ATOM 1382 OD2 ASP A 94 12.876 -3.447 5.400 1.00 0.62 O ATOM 0 H ASP A 94 9.125 -0.346 5.362 1.00 0.32 H new ATOM 0 HA ASP A 94 9.280 -2.837 3.864 1.00 0.38 H new ATOM 0 HB2 ASP A 94 11.287 -1.457 4.312 1.00 0.35 H new ATOM 0 HB3 ASP A 94 11.059 -1.682 6.035 1.00 0.35 H new ATOM 1387 N VAL A 95 7.960 -4.166 5.498 1.00 0.64 N ATOM 1388 CA VAL A 95 7.229 -5.015 6.428 1.00 0.79 C ATOM 1389 C VAL A 95 8.139 -6.053 7.056 1.00 0.74 C ATOM 1390 O VAL A 95 7.932 -6.468 8.199 1.00 0.88 O ATOM 1391 CB VAL A 95 6.038 -5.717 5.734 1.00 1.07 C ATOM 1392 CG1 VAL A 95 5.214 -6.511 6.738 1.00 1.76 C ATOM 1393 CG2 VAL A 95 5.165 -4.701 5.011 1.00 1.57 C ATOM 0 H VAL A 95 7.744 -4.337 4.516 1.00 0.64 H new ATOM 0 HA VAL A 95 6.841 -4.367 7.214 1.00 0.79 H new ATOM 0 HB VAL A 95 6.439 -6.414 4.998 1.00 1.07 H new ATOM 0 HG11 VAL A 95 4.383 -6.995 6.225 1.00 1.76 H new ATOM 0 HG12 VAL A 95 5.842 -7.269 7.206 1.00 1.76 H new ATOM 0 HG13 VAL A 95 4.826 -5.839 7.503 1.00 1.76 H new ATOM 0 HG21 VAL A 95 4.333 -5.214 4.529 1.00 1.57 H new ATOM 0 HG22 VAL A 95 4.779 -3.977 5.729 1.00 1.57 H new ATOM 0 HG23 VAL A 95 5.758 -4.183 4.257 1.00 1.57 H new ATOM 1403 N ASP A 96 9.159 -6.458 6.323 1.00 0.68 N ATOM 1404 CA ASP A 96 10.097 -7.440 6.837 1.00 0.73 C ATOM 1405 C ASP A 96 11.088 -6.752 7.743 1.00 0.60 C ATOM 1406 O ASP A 96 11.648 -7.366 8.655 1.00 0.68 O ATOM 1407 CB ASP A 96 10.922 -8.066 5.730 1.00 0.94 C ATOM 1408 CG ASP A 96 10.298 -7.979 4.364 1.00 1.04 C ATOM 1409 OD1 ASP A 96 10.476 -6.927 3.711 1.00 1.40 O ATOM 1410 OD2 ASP A 96 9.670 -8.957 3.916 1.00 1.70 O ATOM 0 H ASP A 96 9.359 -6.127 5.379 1.00 0.68 H new ATOM 0 HA ASP A 96 9.509 -8.202 7.349 1.00 0.73 H new ATOM 0 HB2 ASP A 96 11.898 -7.581 5.702 1.00 0.94 H new ATOM 0 HB3 ASP A 96 11.095 -9.115 5.971 1.00 0.94 H new ATOM 1415 N LYS A 97 11.304 -5.462 7.468 1.00 0.48 N ATOM 1416 CA LYS A 97 12.318 -4.679 8.163 1.00 0.46 C ATOM 1417 C LYS A 97 13.669 -5.341 7.946 1.00 0.46 C ATOM 1418 O LYS A 97 14.484 -5.492 8.860 1.00 0.70 O ATOM 1419 CB LYS A 97 11.950 -4.560 9.639 1.00 0.59 C ATOM 1420 CG LYS A 97 10.578 -3.949 9.808 1.00 0.67 C ATOM 1421 CD LYS A 97 10.106 -3.991 11.249 1.00 0.82 C ATOM 1422 CE LYS A 97 8.676 -3.490 11.368 1.00 1.34 C ATOM 1423 NZ LYS A 97 8.149 -3.614 12.754 1.00 1.74 N ATOM 0 H LYS A 97 10.784 -4.939 6.763 1.00 0.48 H new ATOM 0 HA LYS A 97 12.373 -3.664 7.769 1.00 0.46 H new ATOM 0 HB2 LYS A 97 11.973 -5.546 10.104 1.00 0.59 H new ATOM 0 HB3 LYS A 97 12.690 -3.948 10.154 1.00 0.59 H new ATOM 0 HG2 LYS A 97 10.598 -2.915 9.464 1.00 0.67 H new ATOM 0 HG3 LYS A 97 9.865 -4.481 9.178 1.00 0.67 H new ATOM 0 HD2 LYS A 97 10.170 -5.011 11.627 1.00 0.82 H new ATOM 0 HD3 LYS A 97 10.762 -3.380 11.868 1.00 0.82 H new ATOM 0 HE2 LYS A 97 8.632 -2.446 11.057 1.00 1.34 H new ATOM 0 HE3 LYS A 97 8.038 -4.053 10.687 1.00 1.34 H new ATOM 0 HZ1 LYS A 97 7.172 -3.260 12.787 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 8.166 -4.613 13.044 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 8.741 -3.056 13.402 1.00 1.74 H new ATOM 1437 N ASP A 98 13.890 -5.701 6.686 1.00 0.35 N ATOM 1438 CA ASP A 98 15.007 -6.536 6.287 1.00 0.43 C ATOM 1439 C ASP A 98 16.100 -5.728 5.599 1.00 0.39 C ATOM 1440 O ASP A 98 17.074 -6.290 5.100 1.00 0.63 O ATOM 1441 CB ASP A 98 14.519 -7.692 5.391 1.00 0.69 C ATOM 1442 CG ASP A 98 13.782 -7.271 4.114 1.00 0.72 C ATOM 1443 OD1 ASP A 98 13.193 -6.178 4.119 1.00 1.51 O ATOM 1444 OD2 ASP A 98 13.837 -7.987 3.079 1.00 1.35 O ATOM 0 H ASP A 98 13.292 -5.417 5.910 1.00 0.35 H new ATOM 0 HA ASP A 98 15.447 -6.960 7.190 1.00 0.43 H new ATOM 0 HB2 ASP A 98 15.380 -8.299 5.110 1.00 0.69 H new ATOM 0 HB3 ASP A 98 13.858 -8.329 5.978 1.00 0.69 H new ATOM 1449 N GLY A 99 15.943 -4.410 5.592 1.00 0.29 N ATOM 1450 CA GLY A 99 16.997 -3.546 5.093 1.00 0.29 C ATOM 1451 C GLY A 99 17.007 -3.457 3.586 1.00 0.24 C ATOM 1452 O GLY A 99 18.014 -3.080 2.985 1.00 0.27 O ATOM 0 H GLY A 99 15.108 -3.925 5.921 1.00 0.29 H new ATOM 0 HA2 GLY A 99 16.872 -2.547 5.512 1.00 0.29 H new ATOM 0 HA3 GLY A 99 17.962 -3.918 5.438 1.00 0.29 H new ATOM 1456 N LEU A 100 15.896 -3.823 2.977 1.00 0.23 N ATOM 1457 CA LEU A 100 15.735 -3.700 1.545 1.00 0.21 C ATOM 1458 C LEU A 100 14.268 -3.550 1.208 1.00 0.24 C ATOM 1459 O LEU A 100 13.413 -3.677 2.085 1.00 0.38 O ATOM 1460 CB LEU A 100 16.355 -4.896 0.812 1.00 0.27 C ATOM 1461 CG LEU A 100 15.862 -6.282 1.236 1.00 0.39 C ATOM 1462 CD1 LEU A 100 14.558 -6.639 0.539 1.00 0.41 C ATOM 1463 CD2 LEU A 100 16.935 -7.311 0.949 1.00 0.54 C ATOM 0 H LEU A 100 15.085 -4.211 3.459 1.00 0.23 H new ATOM 0 HA LEU A 100 16.264 -2.808 1.208 1.00 0.21 H new ATOM 0 HB2 LEU A 100 16.167 -4.778 -0.255 1.00 0.27 H new ATOM 0 HB3 LEU A 100 17.435 -4.860 0.951 1.00 0.27 H new ATOM 0 HG LEU A 100 15.661 -6.272 2.307 1.00 0.39 H new ATOM 0 HD11 LEU A 100 14.233 -7.629 0.860 1.00 0.41 H new ATOM 0 HD12 LEU A 100 13.795 -5.905 0.797 1.00 0.41 H new ATOM 0 HD13 LEU A 100 14.711 -6.640 -0.540 1.00 0.41 H new ATOM 0 HD21 LEU A 100 16.583 -8.297 1.251 1.00 0.54 H new ATOM 0 HD22 LEU A 100 17.158 -7.316 -0.118 1.00 0.54 H new ATOM 0 HD23 LEU A 100 17.837 -7.061 1.507 1.00 0.54 H new ATOM 1475 N LEU A 101 13.981 -3.329 -0.063 1.00 0.20 N ATOM 1476 CA LEU A 101 12.641 -3.034 -0.513 1.00 0.20 C ATOM 1477 C LEU A 101 12.496 -3.564 -1.932 1.00 0.17 C ATOM 1478 O LEU A 101 13.184 -3.102 -2.842 1.00 0.18 O ATOM 1479 CB LEU A 101 12.369 -1.524 -0.492 1.00 0.24 C ATOM 1480 CG LEU A 101 12.173 -0.880 0.889 1.00 0.26 C ATOM 1481 CD1 LEU A 101 11.905 0.602 0.734 1.00 0.68 C ATOM 1482 CD2 LEU A 101 11.020 -1.522 1.628 1.00 0.58 C ATOM 0 H LEU A 101 14.675 -3.350 -0.810 1.00 0.20 H new ATOM 0 HA LEU A 101 11.921 -3.508 0.154 1.00 0.20 H new ATOM 0 HB2 LEU A 101 13.199 -1.021 -0.988 1.00 0.24 H new ATOM 0 HB3 LEU A 101 11.477 -1.330 -1.088 1.00 0.24 H new ATOM 0 HG LEU A 101 13.086 -1.032 1.465 1.00 0.26 H new ATOM 0 HD11 LEU A 101 11.767 1.052 1.717 1.00 0.68 H new ATOM 0 HD12 LEU A 101 12.751 1.074 0.234 1.00 0.68 H new ATOM 0 HD13 LEU A 101 11.004 0.748 0.138 1.00 0.68 H new ATOM 0 HD21 LEU A 101 10.903 -1.048 2.602 1.00 0.58 H new ATOM 0 HD22 LEU A 101 10.104 -1.397 1.051 1.00 0.58 H new ATOM 0 HD23 LEU A 101 11.221 -2.585 1.764 1.00 0.58 H new ATOM 1494 N ASP A 102 11.663 -4.562 -2.118 1.00 0.16 N ATOM 1495 CA ASP A 102 11.461 -5.141 -3.440 1.00 0.17 C ATOM 1496 C ASP A 102 10.588 -4.223 -4.306 1.00 0.16 C ATOM 1497 O ASP A 102 10.310 -3.099 -3.911 1.00 0.16 O ATOM 1498 CB ASP A 102 10.860 -6.529 -3.316 1.00 0.25 C ATOM 1499 CG ASP A 102 9.353 -6.509 -3.113 1.00 0.77 C ATOM 1500 OD1 ASP A 102 8.903 -6.371 -1.955 1.00 1.50 O ATOM 1501 OD2 ASP A 102 8.618 -6.645 -4.104 1.00 1.40 O ATOM 0 H ASP A 102 11.112 -4.994 -1.376 1.00 0.16 H new ATOM 0 HA ASP A 102 12.427 -5.236 -3.936 1.00 0.17 H new ATOM 0 HB2 ASP A 102 11.092 -7.101 -4.214 1.00 0.25 H new ATOM 0 HB3 ASP A 102 11.327 -7.047 -2.479 1.00 0.25 H new ATOM 1506 N ASP A 103 10.185 -4.680 -5.491 1.00 0.18 N ATOM 1507 CA ASP A 103 9.424 -3.842 -6.429 1.00 0.19 C ATOM 1508 C ASP A 103 8.161 -3.286 -5.769 1.00 0.16 C ATOM 1509 O ASP A 103 7.782 -2.130 -5.997 1.00 0.17 O ATOM 1510 CB ASP A 103 8.998 -4.680 -7.645 1.00 0.28 C ATOM 1511 CG ASP A 103 10.142 -5.449 -8.278 1.00 0.97 C ATOM 1512 OD1 ASP A 103 10.677 -6.374 -7.629 1.00 1.73 O ATOM 1513 OD2 ASP A 103 10.495 -5.158 -9.435 1.00 1.65 O ATOM 0 H ASP A 103 10.371 -5.625 -5.828 1.00 0.18 H new ATOM 0 HA ASP A 103 10.067 -3.016 -6.735 1.00 0.19 H new ATOM 0 HB2 ASP A 103 8.223 -5.383 -7.339 1.00 0.28 H new ATOM 0 HB3 ASP A 103 8.555 -4.022 -8.393 1.00 0.28 H new ATOM 1518 N GLU A 104 7.534 -4.086 -4.913 1.00 0.18 N ATOM 1519 CA GLU A 104 6.312 -3.659 -4.242 1.00 0.23 C ATOM 1520 C GLU A 104 6.600 -2.972 -2.916 1.00 0.19 C ATOM 1521 O GLU A 104 5.809 -2.150 -2.448 1.00 0.22 O ATOM 1522 CB GLU A 104 5.348 -4.815 -4.026 1.00 0.33 C ATOM 1523 CG GLU A 104 4.219 -4.836 -5.038 1.00 0.65 C ATOM 1524 CD GLU A 104 4.486 -5.763 -6.203 1.00 1.28 C ATOM 1525 OE1 GLU A 104 5.580 -5.684 -6.791 1.00 2.14 O ATOM 1526 OE2 GLU A 104 3.597 -6.562 -6.549 1.00 1.68 O ATOM 0 H GLU A 104 7.848 -5.025 -4.669 1.00 0.18 H new ATOM 0 HA GLU A 104 5.839 -2.936 -4.907 1.00 0.23 H new ATOM 0 HB2 GLU A 104 5.897 -5.755 -4.082 1.00 0.33 H new ATOM 0 HB3 GLU A 104 4.929 -4.750 -3.022 1.00 0.33 H new ATOM 0 HG2 GLU A 104 3.299 -5.142 -4.541 1.00 0.65 H new ATOM 0 HG3 GLU A 104 4.057 -3.826 -5.414 1.00 0.65 H new ATOM 1533 N GLU A 105 7.715 -3.312 -2.301 1.00 0.18 N ATOM 1534 CA GLU A 105 8.131 -2.643 -1.084 1.00 0.17 C ATOM 1535 C GLU A 105 8.579 -1.218 -1.401 1.00 0.17 C ATOM 1536 O GLU A 105 8.367 -0.296 -0.613 1.00 0.22 O ATOM 1537 CB GLU A 105 9.242 -3.437 -0.416 1.00 0.19 C ATOM 1538 CG GLU A 105 8.812 -4.132 0.869 1.00 0.26 C ATOM 1539 CD GLU A 105 9.770 -5.229 1.298 1.00 0.40 C ATOM 1540 OE1 GLU A 105 10.813 -4.906 1.881 1.00 0.81 O ATOM 1541 OE2 GLU A 105 9.498 -6.426 1.031 1.00 1.11 O ATOM 0 H GLU A 105 8.348 -4.045 -2.622 1.00 0.18 H new ATOM 0 HA GLU A 105 7.291 -2.585 -0.392 1.00 0.17 H new ATOM 0 HB2 GLU A 105 9.613 -4.185 -1.116 1.00 0.19 H new ATOM 0 HB3 GLU A 105 10.073 -2.767 -0.195 1.00 0.19 H new ATOM 0 HG2 GLU A 105 8.733 -3.393 1.667 1.00 0.26 H new ATOM 0 HG3 GLU A 105 7.818 -4.558 0.730 1.00 0.26 H new ATOM 1548 N PHE A 106 9.189 -1.044 -2.572 1.00 0.16 N ATOM 1549 CA PHE A 106 9.475 0.284 -3.096 1.00 0.16 C ATOM 1550 C PHE A 106 8.151 0.949 -3.409 1.00 0.16 C ATOM 1551 O PHE A 106 7.944 2.120 -3.093 1.00 0.18 O ATOM 1552 CB PHE A 106 10.338 0.220 -4.372 1.00 0.19 C ATOM 1553 CG PHE A 106 10.896 1.554 -4.846 1.00 0.21 C ATOM 1554 CD1 PHE A 106 10.223 2.725 -4.557 1.00 1.04 C ATOM 1555 CD2 PHE A 106 12.076 1.644 -5.573 1.00 1.04 C ATOM 1556 CE1 PHE A 106 10.704 3.948 -4.980 1.00 1.07 C ATOM 1557 CE2 PHE A 106 12.561 2.864 -5.995 1.00 1.04 C ATOM 1558 CZ PHE A 106 11.961 3.971 -5.723 1.00 0.28 C ATOM 0 H PHE A 106 9.494 -1.809 -3.174 1.00 0.16 H new ATOM 0 HA PHE A 106 10.037 0.850 -2.354 1.00 0.16 H new ATOM 0 HB2 PHE A 106 11.170 -0.461 -4.194 1.00 0.19 H new ATOM 0 HB3 PHE A 106 9.739 -0.211 -5.175 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.305 2.683 -3.990 1.00 1.04 H new ATOM 0 HD2 PHE A 106 12.623 0.744 -5.812 1.00 1.04 H new ATOM 0 HE1 PHE A 106 10.167 4.860 -4.768 1.00 1.07 H new ATOM 0 HE2 PHE A 106 13.473 2.892 -6.572 1.00 1.04 H new ATOM 0 HZ PHE A 106 12.385 4.911 -6.043 1.00 0.28 H new ATOM 1568 N ALA A 107 7.244 0.182 -4.004 1.00 0.16 N ATOM 1569 CA ALA A 107 5.930 0.691 -4.338 1.00 0.16 C ATOM 1570 C ALA A 107 5.268 1.312 -3.111 1.00 0.16 C ATOM 1571 O ALA A 107 4.658 2.374 -3.192 1.00 0.18 O ATOM 1572 CB ALA A 107 5.077 -0.424 -4.912 1.00 0.19 C ATOM 0 H ALA A 107 7.400 -0.792 -4.262 1.00 0.16 H new ATOM 0 HA ALA A 107 6.032 1.472 -5.092 1.00 0.16 H new ATOM 0 HB1 ALA A 107 4.090 -0.035 -5.161 1.00 0.19 H new ATOM 0 HB2 ALA A 107 5.550 -0.818 -5.812 1.00 0.19 H new ATOM 0 HB3 ALA A 107 4.977 -1.222 -4.176 1.00 0.19 H new ATOM 1578 N LEU A 108 5.426 0.657 -1.973 1.00 0.18 N ATOM 1579 CA LEU A 108 4.882 1.163 -0.725 1.00 0.22 C ATOM 1580 C LEU A 108 5.694 2.350 -0.220 1.00 0.19 C ATOM 1581 O LEU A 108 5.131 3.390 0.109 1.00 0.20 O ATOM 1582 CB LEU A 108 4.868 0.070 0.329 1.00 0.34 C ATOM 1583 CG LEU A 108 3.694 0.117 1.305 1.00 0.52 C ATOM 1584 CD1 LEU A 108 3.825 -1.003 2.297 1.00 1.22 C ATOM 1585 CD2 LEU A 108 3.613 1.445 2.043 1.00 1.23 C ATOM 0 H LEU A 108 5.927 -0.227 -1.888 1.00 0.18 H new ATOM 0 HA LEU A 108 3.860 1.492 -0.914 1.00 0.22 H new ATOM 0 HB2 LEU A 108 4.862 -0.897 -0.174 1.00 0.34 H new ATOM 0 HB3 LEU A 108 5.795 0.126 0.899 1.00 0.34 H new ATOM 0 HG LEU A 108 2.777 0.007 0.726 1.00 0.52 H new ATOM 0 HD11 LEU A 108 2.988 -0.971 2.994 1.00 1.22 H new ATOM 0 HD12 LEU A 108 3.822 -1.957 1.771 1.00 1.22 H new ATOM 0 HD13 LEU A 108 4.760 -0.894 2.847 1.00 1.22 H new ATOM 0 HD21 LEU A 108 2.763 1.431 2.725 1.00 1.23 H new ATOM 0 HD22 LEU A 108 4.531 1.603 2.610 1.00 1.23 H new ATOM 0 HD23 LEU A 108 3.487 2.254 1.323 1.00 1.23 H new ATOM 1597 N ALA A 109 7.010 2.184 -0.147 1.00 0.19 N ATOM 1598 CA ALA A 109 7.896 3.234 0.350 1.00 0.19 C ATOM 1599 C ALA A 109 7.629 4.562 -0.356 1.00 0.19 C ATOM 1600 O ALA A 109 7.385 5.591 0.284 1.00 0.20 O ATOM 1601 CB ALA A 109 9.345 2.828 0.150 1.00 0.22 C ATOM 0 H ALA A 109 7.490 1.329 -0.427 1.00 0.19 H new ATOM 0 HA ALA A 109 7.699 3.367 1.414 1.00 0.19 H new ATOM 0 HB1 ALA A 109 9.999 3.616 0.523 1.00 0.22 H new ATOM 0 HB2 ALA A 109 9.543 1.905 0.695 1.00 0.22 H new ATOM 0 HB3 ALA A 109 9.536 2.671 -0.912 1.00 0.22 H new ATOM 1607 N ASN A 110 7.636 4.519 -1.681 1.00 0.19 N ATOM 1608 CA ASN A 110 7.430 5.704 -2.484 1.00 0.19 C ATOM 1609 C ASN A 110 5.978 6.141 -2.381 1.00 0.20 C ATOM 1610 O ASN A 110 5.668 7.327 -2.500 1.00 0.23 O ATOM 1611 CB ASN A 110 7.801 5.445 -3.946 1.00 0.21 C ATOM 1612 CG ASN A 110 8.090 6.732 -4.703 1.00 0.29 C ATOM 1613 OD1 ASN A 110 7.192 7.365 -5.260 1.00 1.18 O ATOM 1614 ND2 ASN A 110 9.357 7.113 -4.745 1.00 1.11 N ATOM 0 H ASN A 110 7.784 3.666 -2.221 1.00 0.19 H new ATOM 0 HA ASN A 110 8.076 6.498 -2.108 1.00 0.19 H new ATOM 0 HB2 ASN A 110 8.676 4.797 -3.987 1.00 0.21 H new ATOM 0 HB3 ASN A 110 6.986 4.912 -4.437 1.00 0.21 H new ATOM 0 HD21 ASN A 110 9.619 7.959 -5.252 1.00 1.11 H new ATOM 0 HD22 ASN A 110 10.072 6.561 -4.270 1.00 1.11 H new ATOM 1621 N HIS A 111 5.081 5.186 -2.118 1.00 0.23 N ATOM 1622 CA HIS A 111 3.676 5.521 -1.988 1.00 0.25 C ATOM 1623 C HIS A 111 3.463 6.337 -0.731 1.00 0.24 C ATOM 1624 O HIS A 111 2.706 7.290 -0.737 1.00 0.26 O ATOM 1625 CB HIS A 111 2.778 4.280 -1.941 1.00 0.30 C ATOM 1626 CG HIS A 111 1.321 4.613 -2.094 1.00 0.32 C ATOM 1627 ND1 HIS A 111 0.745 4.938 -3.300 1.00 0.41 N ATOM 1628 CD2 HIS A 111 0.331 4.711 -1.172 1.00 0.39 C ATOM 1629 CE1 HIS A 111 -0.529 5.228 -3.116 1.00 0.49 C ATOM 1630 NE2 HIS A 111 -0.813 5.101 -1.832 1.00 0.47 N ATOM 0 H HIS A 111 5.304 4.198 -1.995 1.00 0.23 H new ATOM 0 HA HIS A 111 3.399 6.096 -2.872 1.00 0.25 H new ATOM 0 HB2 HIS A 111 3.074 3.592 -2.733 1.00 0.30 H new ATOM 0 HB3 HIS A 111 2.931 3.762 -0.994 1.00 0.30 H new ATOM 0 HD1 HIS A 111 1.228 4.953 -4.198 1.00 0.41 H new ATOM 0 HD2 HIS A 111 0.423 4.518 -0.113 1.00 0.39 H new ATOM 0 HE1 HIS A 111 -1.225 5.521 -3.888 1.00 0.49 H new ATOM 1639 N LEU A 112 4.141 5.953 0.340 1.00 0.25 N ATOM 1640 CA LEU A 112 4.030 6.652 1.609 1.00 0.28 C ATOM 1641 C LEU A 112 4.653 8.039 1.517 1.00 0.25 C ATOM 1642 O LEU A 112 4.165 8.992 2.129 1.00 0.27 O ATOM 1643 CB LEU A 112 4.691 5.839 2.719 1.00 0.35 C ATOM 1644 CG LEU A 112 3.886 4.633 3.215 1.00 0.44 C ATOM 1645 CD1 LEU A 112 4.686 3.883 4.269 1.00 0.55 C ATOM 1646 CD2 LEU A 112 2.547 5.086 3.788 1.00 0.54 C ATOM 0 H LEU A 112 4.777 5.156 0.354 1.00 0.25 H new ATOM 0 HA LEU A 112 2.973 6.771 1.847 1.00 0.28 H new ATOM 0 HB2 LEU A 112 5.659 5.487 2.362 1.00 0.35 H new ATOM 0 HB3 LEU A 112 4.884 6.499 3.565 1.00 0.35 H new ATOM 0 HG LEU A 112 3.690 3.967 2.375 1.00 0.44 H new ATOM 0 HD11 LEU A 112 4.111 3.026 4.620 1.00 0.55 H new ATOM 0 HD12 LEU A 112 5.625 3.538 3.836 1.00 0.55 H new ATOM 0 HD13 LEU A 112 4.896 4.547 5.107 1.00 0.55 H new ATOM 0 HD21 LEU A 112 1.988 4.218 4.136 1.00 0.54 H new ATOM 0 HD22 LEU A 112 2.720 5.765 4.623 1.00 0.54 H new ATOM 0 HD23 LEU A 112 1.976 5.600 3.015 1.00 0.54 H new ATOM 1658 N ILE A 113 5.731 8.151 0.749 1.00 0.26 N ATOM 1659 CA ILE A 113 6.341 9.449 0.487 1.00 0.26 C ATOM 1660 C ILE A 113 5.331 10.381 -0.183 1.00 0.26 C ATOM 1661 O ILE A 113 5.084 11.495 0.292 1.00 0.32 O ATOM 1662 CB ILE A 113 7.600 9.311 -0.400 1.00 0.27 C ATOM 1663 CG1 ILE A 113 8.693 8.566 0.360 1.00 0.28 C ATOM 1664 CG2 ILE A 113 8.106 10.678 -0.836 1.00 0.33 C ATOM 1665 CD1 ILE A 113 9.850 8.123 -0.514 1.00 0.81 C ATOM 0 H ILE A 113 6.198 7.364 0.299 1.00 0.26 H new ATOM 0 HA ILE A 113 6.645 9.874 1.443 1.00 0.26 H new ATOM 0 HB ILE A 113 7.333 8.744 -1.292 1.00 0.27 H new ATOM 0 HG12 ILE A 113 9.074 9.209 1.153 1.00 0.28 H new ATOM 0 HG13 ILE A 113 8.257 7.691 0.841 1.00 0.28 H new ATOM 0 HG21 ILE A 113 8.992 10.556 -1.459 1.00 0.33 H new ATOM 0 HG22 ILE A 113 7.330 11.189 -1.405 1.00 0.33 H new ATOM 0 HG23 ILE A 113 8.359 11.270 0.044 1.00 0.33 H new ATOM 0 HD11 ILE A 113 10.587 7.601 0.096 1.00 0.81 H new ATOM 0 HD12 ILE A 113 9.483 7.454 -1.292 1.00 0.81 H new ATOM 0 HD13 ILE A 113 10.313 8.996 -0.975 1.00 0.81 H new ATOM 1677 N LYS A 114 4.720 9.915 -1.269 1.00 0.25 N ATOM 1678 CA LYS A 114 3.728 10.732 -1.958 1.00 0.31 C ATOM 1679 C LYS A 114 2.438 10.822 -1.145 1.00 0.32 C ATOM 1680 O LYS A 114 1.661 11.755 -1.317 1.00 0.41 O ATOM 1681 CB LYS A 114 3.467 10.229 -3.385 1.00 0.45 C ATOM 1682 CG LYS A 114 2.901 8.827 -3.478 1.00 0.86 C ATOM 1683 CD LYS A 114 2.816 8.372 -4.925 1.00 1.30 C ATOM 1684 CE LYS A 114 1.856 9.236 -5.730 1.00 1.59 C ATOM 1685 NZ LYS A 114 1.950 8.965 -7.186 1.00 2.22 N ATOM 0 H LYS A 114 4.889 8.998 -1.683 1.00 0.25 H new ATOM 0 HA LYS A 114 4.134 11.739 -2.050 1.00 0.31 H new ATOM 0 HB2 LYS A 114 2.777 10.916 -3.875 1.00 0.45 H new ATOM 0 HB3 LYS A 114 4.403 10.264 -3.943 1.00 0.45 H new ATOM 0 HG2 LYS A 114 3.529 8.139 -2.912 1.00 0.86 H new ATOM 0 HG3 LYS A 114 1.910 8.800 -3.025 1.00 0.86 H new ATOM 0 HD2 LYS A 114 3.807 8.410 -5.377 1.00 1.30 H new ATOM 0 HD3 LYS A 114 2.489 7.333 -4.961 1.00 1.30 H new ATOM 0 HE2 LYS A 114 0.835 9.054 -5.393 1.00 1.59 H new ATOM 0 HE3 LYS A 114 2.071 10.288 -5.543 1.00 1.59 H new ATOM 0 HZ1 LYS A 114 1.058 9.236 -7.648 1.00 2.22 H new ATOM 0 HZ2 LYS A 114 2.732 9.517 -7.592 1.00 2.22 H new ATOM 0 HZ3 LYS A 114 2.126 7.952 -7.340 1.00 2.22 H new ATOM 1699 N VAL A 115 2.228 9.863 -0.246 1.00 0.30 N ATOM 1700 CA VAL A 115 1.128 9.936 0.713 1.00 0.35 C ATOM 1701 C VAL A 115 1.262 11.190 1.564 1.00 0.35 C ATOM 1702 O VAL A 115 0.304 11.946 1.715 1.00 0.42 O ATOM 1703 CB VAL A 115 1.066 8.675 1.620 1.00 0.41 C ATOM 1704 CG1 VAL A 115 0.432 8.984 2.968 1.00 0.49 C ATOM 1705 CG2 VAL A 115 0.280 7.571 0.934 1.00 0.47 C ATOM 0 H VAL A 115 2.805 9.026 -0.162 1.00 0.30 H new ATOM 0 HA VAL A 115 0.197 9.979 0.148 1.00 0.35 H new ATOM 0 HB VAL A 115 2.091 8.346 1.791 1.00 0.41 H new ATOM 0 HG11 VAL A 115 0.406 8.078 3.574 1.00 0.49 H new ATOM 0 HG12 VAL A 115 1.019 9.747 3.480 1.00 0.49 H new ATOM 0 HG13 VAL A 115 -0.584 9.349 2.817 1.00 0.49 H new ATOM 0 HG21 VAL A 115 0.245 6.694 1.580 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.735 7.916 0.735 1.00 0.47 H new ATOM 0 HG23 VAL A 115 0.765 7.309 -0.006 1.00 0.47 H new ATOM 1715 N LYS A 116 2.461 11.444 2.089 1.00 0.35 N ATOM 1716 CA LYS A 116 2.667 12.629 2.891 1.00 0.45 C ATOM 1717 C LYS A 116 2.991 13.822 2.006 1.00 0.48 C ATOM 1718 O LYS A 116 3.269 14.918 2.495 1.00 0.63 O ATOM 1719 CB LYS A 116 3.737 12.413 3.943 1.00 0.59 C ATOM 1720 CG LYS A 116 5.101 12.129 3.386 1.00 0.77 C ATOM 1721 CD LYS A 116 6.146 12.500 4.401 1.00 0.79 C ATOM 1722 CE LYS A 116 6.046 13.975 4.767 1.00 1.68 C ATOM 1723 NZ LYS A 116 5.898 14.851 3.567 1.00 1.91 N ATOM 0 H LYS A 116 3.284 10.852 1.972 1.00 0.35 H new ATOM 0 HA LYS A 116 1.738 12.841 3.421 1.00 0.45 H new ATOM 0 HB2 LYS A 116 3.793 13.299 4.575 1.00 0.59 H new ATOM 0 HB3 LYS A 116 3.439 11.583 4.583 1.00 0.59 H new ATOM 0 HG2 LYS A 116 5.188 11.073 3.129 1.00 0.77 H new ATOM 0 HG3 LYS A 116 5.255 12.695 2.467 1.00 0.77 H new ATOM 0 HD2 LYS A 116 6.023 11.890 5.296 1.00 0.79 H new ATOM 0 HD3 LYS A 116 7.138 12.286 4.003 1.00 0.79 H new ATOM 0 HE2 LYS A 116 5.194 14.125 5.430 1.00 1.68 H new ATOM 0 HE3 LYS A 116 6.937 14.270 5.321 1.00 1.68 H new ATOM 0 HZ1 LYS A 116 6.355 15.767 3.748 1.00 1.91 H new ATOM 0 HZ2 LYS A 116 6.347 14.395 2.747 1.00 1.91 H new ATOM 0 HZ3 LYS A 116 4.888 15.001 3.369 1.00 1.91 H new ATOM 1737 N LEU A 117 2.973 13.588 0.700 1.00 0.43 N ATOM 1738 CA LEU A 117 3.011 14.668 -0.275 1.00 0.53 C ATOM 1739 C LEU A 117 1.582 15.130 -0.575 1.00 0.60 C ATOM 1740 O LEU A 117 1.366 16.238 -1.061 1.00 0.73 O ATOM 1741 CB LEU A 117 3.698 14.211 -1.564 1.00 0.54 C ATOM 1742 CG LEU A 117 3.855 15.286 -2.644 1.00 0.68 C ATOM 1743 CD1 LEU A 117 4.793 16.387 -2.172 1.00 1.28 C ATOM 1744 CD2 LEU A 117 4.364 14.668 -3.938 1.00 1.17 C ATOM 0 H LEU A 117 2.932 12.655 0.291 1.00 0.43 H new ATOM 0 HA LEU A 117 3.584 15.498 0.139 1.00 0.53 H new ATOM 0 HB2 LEU A 117 4.686 13.827 -1.312 1.00 0.54 H new ATOM 0 HB3 LEU A 117 3.130 13.380 -1.983 1.00 0.54 H new ATOM 0 HG LEU A 117 2.877 15.729 -2.834 1.00 0.68 H new ATOM 0 HD11 LEU A 117 4.891 17.141 -2.953 1.00 1.28 H new ATOM 0 HD12 LEU A 117 4.388 16.848 -1.271 1.00 1.28 H new ATOM 0 HD13 LEU A 117 5.772 15.962 -1.953 1.00 1.28 H new ATOM 0 HD21 LEU A 117 4.470 15.445 -4.695 1.00 1.17 H new ATOM 0 HD22 LEU A 117 5.332 14.199 -3.761 1.00 1.17 H new ATOM 0 HD23 LEU A 117 3.655 13.917 -4.286 1.00 1.17 H new ATOM 1756 N GLU A 118 0.612 14.267 -0.261 1.00 0.57 N ATOM 1757 CA GLU A 118 -0.806 14.590 -0.417 1.00 0.70 C ATOM 1758 C GLU A 118 -1.208 15.689 0.563 1.00 0.79 C ATOM 1759 O GLU A 118 -2.238 16.340 0.399 1.00 0.95 O ATOM 1760 CB GLU A 118 -1.676 13.350 -0.176 1.00 0.75 C ATOM 1761 CG GLU A 118 -1.503 12.241 -1.202 1.00 0.78 C ATOM 1762 CD GLU A 118 -2.399 11.050 -0.912 1.00 1.27 C ATOM 1763 OE1 GLU A 118 -3.593 11.270 -0.613 1.00 1.78 O ATOM 1764 OE2 GLU A 118 -1.918 9.899 -0.962 1.00 1.99 O ATOM 0 H GLU A 118 0.787 13.331 0.106 1.00 0.57 H new ATOM 0 HA GLU A 118 -0.963 14.939 -1.438 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.449 12.950 0.812 1.00 0.75 H new ATOM 0 HB3 GLU A 118 -2.723 13.654 -0.164 1.00 0.75 H new ATOM 0 HG2 GLU A 118 -1.727 12.629 -2.196 1.00 0.78 H new ATOM 0 HG3 GLU A 118 -0.462 11.917 -1.213 1.00 0.78 H new ATOM 1771 N GLY A 119 -0.375 15.896 1.575 1.00 0.75 N ATOM 1772 CA GLY A 119 -0.663 16.890 2.587 1.00 0.86 C ATOM 1773 C GLY A 119 -0.876 16.266 3.947 1.00 0.87 C ATOM 1774 O GLY A 119 -0.745 16.931 4.969 1.00 1.01 O ATOM 0 H GLY A 119 0.500 15.389 1.712 1.00 0.75 H new ATOM 0 HA2 GLY A 119 0.160 17.603 2.640 1.00 0.86 H new ATOM 0 HA3 GLY A 119 -1.553 17.451 2.302 1.00 0.86 H new ATOM 1778 N HIS A 120 -1.206 14.985 3.956 1.00 0.80 N ATOM 1779 CA HIS A 120 -1.331 14.239 5.197 1.00 0.84 C ATOM 1780 C HIS A 120 -0.133 13.310 5.306 1.00 0.81 C ATOM 1781 O HIS A 120 0.242 12.691 4.322 1.00 0.84 O ATOM 1782 CB HIS A 120 -2.657 13.448 5.229 1.00 0.86 C ATOM 1783 CG HIS A 120 -2.533 11.966 4.972 1.00 0.77 C ATOM 1784 ND1 HIS A 120 -2.399 11.045 5.986 1.00 0.76 N ATOM 1785 CD2 HIS A 120 -2.512 11.252 3.818 1.00 0.81 C ATOM 1786 CE1 HIS A 120 -2.293 9.839 5.480 1.00 0.83 C ATOM 1787 NE2 HIS A 120 -2.367 9.927 4.162 1.00 0.87 N ATOM 0 H HIS A 120 -1.393 14.439 3.115 1.00 0.80 H new ATOM 0 HA HIS A 120 -1.348 14.920 6.048 1.00 0.84 H new ATOM 0 HB2 HIS A 120 -3.123 13.593 6.204 1.00 0.86 H new ATOM 0 HB3 HIS A 120 -3.332 13.873 4.486 1.00 0.86 H new ATOM 0 HD1 HIS A 120 -2.384 11.267 6.982 1.00 0.76 H new ATOM 0 HD2 HIS A 120 -2.594 11.649 2.817 1.00 0.81 H new ATOM 0 HE1 HIS A 120 -2.167 8.927 6.045 1.00 0.83 H new ATOM 1796 N GLU A 121 0.486 13.216 6.466 1.00 0.93 N ATOM 1797 CA GLU A 121 1.649 12.353 6.595 1.00 1.01 C ATOM 1798 C GLU A 121 1.247 10.967 7.084 1.00 0.79 C ATOM 1799 O GLU A 121 0.133 10.768 7.572 1.00 0.71 O ATOM 1800 CB GLU A 121 2.699 12.966 7.522 1.00 1.31 C ATOM 1801 CG GLU A 121 2.285 13.018 8.979 1.00 1.55 C ATOM 1802 CD GLU A 121 3.428 13.454 9.879 1.00 2.15 C ATOM 1803 OE1 GLU A 121 4.424 12.714 9.991 1.00 2.75 O ATOM 1804 OE2 GLU A 121 3.326 14.542 10.483 1.00 2.52 O ATOM 0 H GLU A 121 0.214 13.712 7.315 1.00 0.93 H new ATOM 0 HA GLU A 121 2.094 12.253 5.605 1.00 1.01 H new ATOM 0 HB2 GLU A 121 3.622 12.392 7.438 1.00 1.31 H new ATOM 0 HB3 GLU A 121 2.921 13.978 7.182 1.00 1.31 H new ATOM 0 HG2 GLU A 121 1.449 13.708 9.094 1.00 1.55 H new ATOM 0 HG3 GLU A 121 1.932 12.035 9.291 1.00 1.55 H new ATOM 1811 N LEU A 122 2.149 10.008 6.913 1.00 0.92 N ATOM 1812 CA LEU A 122 1.924 8.647 7.385 1.00 0.87 C ATOM 1813 C LEU A 122 1.786 8.617 8.912 1.00 0.82 C ATOM 1814 O LEU A 122 2.634 9.138 9.645 1.00 0.95 O ATOM 1815 CB LEU A 122 3.028 7.664 6.909 1.00 1.18 C ATOM 1816 CG LEU A 122 4.430 8.237 6.638 1.00 1.80 C ATOM 1817 CD1 LEU A 122 4.465 9.049 5.352 1.00 2.45 C ATOM 1818 CD2 LEU A 122 4.900 9.063 7.814 1.00 2.70 C ATOM 0 H LEU A 122 3.046 10.149 6.449 1.00 0.92 H new ATOM 0 HA LEU A 122 0.987 8.307 6.943 1.00 0.87 H new ATOM 0 HB2 LEU A 122 3.126 6.881 7.661 1.00 1.18 H new ATOM 0 HB3 LEU A 122 2.679 7.186 5.994 1.00 1.18 H new ATOM 0 HG LEU A 122 5.114 7.398 6.509 1.00 1.80 H new ATOM 0 HD11 LEU A 122 5.471 9.437 5.194 1.00 2.45 H new ATOM 0 HD12 LEU A 122 4.186 8.413 4.512 1.00 2.45 H new ATOM 0 HD13 LEU A 122 3.763 9.880 5.427 1.00 2.45 H new ATOM 0 HD21 LEU A 122 5.893 9.461 7.606 1.00 2.70 H new ATOM 0 HD22 LEU A 122 4.207 9.887 7.980 1.00 2.70 H new ATOM 0 HD23 LEU A 122 4.940 8.437 8.706 1.00 2.70 H new ATOM 1830 N PRO A 123 0.704 8.011 9.408 1.00 0.77 N ATOM 1831 CA PRO A 123 0.365 8.005 10.824 1.00 0.88 C ATOM 1832 C PRO A 123 0.842 6.759 11.542 1.00 0.92 C ATOM 1833 O PRO A 123 0.420 6.481 12.668 1.00 1.10 O ATOM 1834 CB PRO A 123 -1.149 8.033 10.773 1.00 1.00 C ATOM 1835 CG PRO A 123 -1.500 7.252 9.544 1.00 0.95 C ATOM 1836 CD PRO A 123 -0.304 7.281 8.630 1.00 0.79 C ATOM 0 HA PRO A 123 0.829 8.826 11.371 1.00 0.88 H new ATOM 0 HB2 PRO A 123 -1.584 7.584 11.666 1.00 1.00 H new ATOM 0 HB3 PRO A 123 -1.525 9.054 10.714 1.00 1.00 H new ATOM 0 HG2 PRO A 123 -1.759 6.225 9.803 1.00 0.95 H new ATOM 0 HG3 PRO A 123 -2.370 7.685 9.050 1.00 0.95 H new ATOM 0 HD2 PRO A 123 0.034 6.276 8.379 1.00 0.79 H new ATOM 0 HD3 PRO A 123 -0.529 7.786 7.690 1.00 0.79 H new ATOM 1844 N ALA A 124 1.717 6.022 10.876 1.00 0.89 N ATOM 1845 CA ALA A 124 2.264 4.785 11.409 1.00 1.09 C ATOM 1846 C ALA A 124 1.186 3.724 11.550 1.00 1.10 C ATOM 1847 O ALA A 124 1.203 2.920 12.483 1.00 1.27 O ATOM 1848 CB ALA A 124 2.986 5.027 12.732 1.00 1.34 C ATOM 0 H ALA A 124 2.068 6.265 9.950 1.00 0.89 H new ATOM 0 HA ALA A 124 3.000 4.412 10.697 1.00 1.09 H new ATOM 0 HB1 ALA A 124 3.385 4.084 13.107 1.00 1.34 H new ATOM 0 HB2 ALA A 124 3.804 5.731 12.577 1.00 1.34 H new ATOM 0 HB3 ALA A 124 2.286 5.439 13.459 1.00 1.34 H new ATOM 1854 N ASP A 125 0.257 3.713 10.604 1.00 1.00 N ATOM 1855 CA ASP A 125 -0.679 2.617 10.502 1.00 1.03 C ATOM 1856 C ASP A 125 -0.461 1.873 9.205 1.00 0.87 C ATOM 1857 O ASP A 125 -0.139 2.460 8.172 1.00 0.90 O ATOM 1858 CB ASP A 125 -2.135 3.068 10.609 1.00 1.22 C ATOM 1859 CG ASP A 125 -2.774 3.464 9.289 1.00 1.72 C ATOM 1860 OD1 ASP A 125 -2.511 4.586 8.811 1.00 2.14 O ATOM 1861 OD2 ASP A 125 -3.503 2.642 8.703 1.00 2.36 O ATOM 0 H ASP A 125 0.137 4.446 9.905 1.00 1.00 H new ATOM 0 HA ASP A 125 -0.490 1.956 11.348 1.00 1.03 H new ATOM 0 HB2 ASP A 125 -2.719 2.262 11.053 1.00 1.22 H new ATOM 0 HB3 ASP A 125 -2.190 3.915 11.293 1.00 1.22 H new ATOM 1866 N LEU A 126 -0.609 0.578 9.281 1.00 0.81 N ATOM 1867 CA LEU A 126 -0.427 -0.274 8.128 1.00 0.73 C ATOM 1868 C LEU A 126 -1.659 -1.148 7.925 1.00 0.76 C ATOM 1869 O LEU A 126 -1.817 -2.185 8.573 1.00 0.86 O ATOM 1870 CB LEU A 126 0.832 -1.131 8.280 1.00 0.75 C ATOM 1871 CG LEU A 126 1.288 -1.827 7.000 1.00 0.94 C ATOM 1872 CD1 LEU A 126 1.501 -0.808 5.891 1.00 1.67 C ATOM 1873 CD2 LEU A 126 2.554 -2.628 7.253 1.00 1.83 C ATOM 0 H LEU A 126 -0.858 0.082 10.137 1.00 0.81 H new ATOM 0 HA LEU A 126 -0.298 0.354 7.246 1.00 0.73 H new ATOM 0 HB2 LEU A 126 1.643 -0.500 8.643 1.00 0.75 H new ATOM 0 HB3 LEU A 126 0.650 -1.887 9.044 1.00 0.75 H new ATOM 0 HG LEU A 126 0.508 -2.519 6.681 1.00 0.94 H new ATOM 0 HD11 LEU A 126 1.826 -1.319 4.985 1.00 1.67 H new ATOM 0 HD12 LEU A 126 0.566 -0.282 5.696 1.00 1.67 H new ATOM 0 HD13 LEU A 126 2.263 -0.092 6.197 1.00 1.67 H new ATOM 0 HD21 LEU A 126 2.865 -3.118 6.330 1.00 1.83 H new ATOM 0 HD22 LEU A 126 3.345 -1.960 7.594 1.00 1.83 H new ATOM 0 HD23 LEU A 126 2.361 -3.382 8.016 1.00 1.83 H new ATOM 1885 N PRO A 127 -2.566 -0.719 7.046 1.00 0.77 N ATOM 1886 CA PRO A 127 -3.799 -1.445 6.767 1.00 0.89 C ATOM 1887 C PRO A 127 -3.542 -2.706 5.943 1.00 0.85 C ATOM 1888 O PRO A 127 -2.598 -2.760 5.156 1.00 0.77 O ATOM 1889 CB PRO A 127 -4.649 -0.440 5.973 1.00 1.00 C ATOM 1890 CG PRO A 127 -3.902 0.850 5.999 1.00 0.91 C ATOM 1891 CD PRO A 127 -2.469 0.510 6.261 1.00 0.78 C ATOM 0 HA PRO A 127 -4.286 -1.790 7.679 1.00 0.89 H new ATOM 0 HB2 PRO A 127 -4.800 -0.782 4.949 1.00 1.00 H new ATOM 0 HB3 PRO A 127 -5.637 -0.327 6.420 1.00 1.00 H new ATOM 0 HG2 PRO A 127 -4.008 1.378 5.051 1.00 0.91 H new ATOM 0 HG3 PRO A 127 -4.292 1.508 6.776 1.00 0.91 H new ATOM 0 HD2 PRO A 127 -1.914 0.356 5.336 1.00 0.78 H new ATOM 0 HD3 PRO A 127 -1.959 1.302 6.810 1.00 0.78 H new ATOM 1899 N PRO A 128 -4.385 -3.738 6.107 1.00 0.99 N ATOM 1900 CA PRO A 128 -4.248 -5.004 5.369 1.00 1.06 C ATOM 1901 C PRO A 128 -4.368 -4.809 3.859 1.00 1.01 C ATOM 1902 O PRO A 128 -3.982 -5.671 3.074 1.00 1.15 O ATOM 1903 CB PRO A 128 -5.403 -5.861 5.894 1.00 1.27 C ATOM 1904 CG PRO A 128 -6.369 -4.893 6.493 1.00 1.34 C ATOM 1905 CD PRO A 128 -5.538 -3.762 7.027 1.00 1.15 C ATOM 0 HA PRO A 128 -3.268 -5.457 5.522 1.00 1.06 H new ATOM 0 HB2 PRO A 128 -5.866 -6.433 5.090 1.00 1.27 H new ATOM 0 HB3 PRO A 128 -5.054 -6.579 6.636 1.00 1.27 H new ATOM 0 HG2 PRO A 128 -7.080 -4.538 5.747 1.00 1.34 H new ATOM 0 HG3 PRO A 128 -6.949 -5.361 7.288 1.00 1.34 H new ATOM 0 HD2 PRO A 128 -6.084 -2.819 7.015 1.00 1.15 H new ATOM 0 HD3 PRO A 128 -5.229 -3.939 8.057 1.00 1.15 H new ATOM 1913 N HIS A 129 -4.895 -3.659 3.458 1.00 0.95 N ATOM 1914 CA HIS A 129 -5.037 -3.336 2.045 1.00 0.96 C ATOM 1915 C HIS A 129 -3.893 -2.443 1.574 1.00 0.94 C ATOM 1916 O HIS A 129 -4.033 -1.727 0.590 1.00 1.22 O ATOM 1917 CB HIS A 129 -6.393 -2.666 1.752 1.00 1.07 C ATOM 1918 CG HIS A 129 -6.640 -1.371 2.479 1.00 1.11 C ATOM 1919 ND1 HIS A 129 -7.386 -1.278 3.636 1.00 1.27 N ATOM 1920 CD2 HIS A 129 -6.253 -0.107 2.191 1.00 1.27 C ATOM 1921 CE1 HIS A 129 -7.441 -0.016 4.020 1.00 1.45 C ATOM 1922 NE2 HIS A 129 -6.764 0.717 3.159 1.00 1.48 N ATOM 0 H HIS A 129 -5.231 -2.934 4.092 1.00 0.95 H new ATOM 0 HA HIS A 129 -4.998 -4.274 1.491 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -6.465 -2.481 0.680 1.00 1.07 H new ATOM 0 HB3 HIS A 129 -7.189 -3.365 2.009 1.00 1.07 H new ATOM 0 HD2 HIS A 129 -5.649 0.198 1.349 1.00 1.27 H new ATOM 0 HE1 HIS A 129 -7.955 0.354 4.895 1.00 1.45 H new ATOM 0 HE2 HIS A 129 -6.641 1.728 3.206 1.00 1.48 H new ATOM 1931 N LEU A 130 -2.780 -2.469 2.301 1.00 0.73 N ATOM 1932 CA LEU A 130 -1.563 -1.760 1.895 1.00 0.69 C ATOM 1933 C LEU A 130 -0.334 -2.615 2.146 1.00 0.69 C ATOM 1934 O LEU A 130 0.788 -2.121 2.112 1.00 0.72 O ATOM 1935 CB LEU A 130 -1.413 -0.461 2.668 1.00 0.75 C ATOM 1936 CG LEU A 130 -1.608 0.839 1.885 1.00 0.81 C ATOM 1937 CD1 LEU A 130 -3.081 1.133 1.659 1.00 1.27 C ATOM 1938 CD2 LEU A 130 -0.942 1.993 2.609 1.00 1.29 C ATOM 0 H LEU A 130 -2.692 -2.977 3.181 1.00 0.73 H new ATOM 0 HA LEU A 130 -1.650 -1.545 0.830 1.00 0.69 H new ATOM 0 HB2 LEU A 130 -2.128 -0.472 3.491 1.00 0.75 H new ATOM 0 HB3 LEU A 130 -0.417 -0.443 3.111 1.00 0.75 H new ATOM 0 HG LEU A 130 -1.140 0.717 0.908 1.00 0.81 H new ATOM 0 HD11 LEU A 130 -3.185 2.063 1.100 1.00 1.27 H new ATOM 0 HD12 LEU A 130 -3.532 0.318 1.094 1.00 1.27 H new ATOM 0 HD13 LEU A 130 -3.584 1.230 2.621 1.00 1.27 H new ATOM 0 HD21 LEU A 130 -1.088 2.912 2.041 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -1.383 2.104 3.599 1.00 1.29 H new ATOM 0 HD23 LEU A 130 0.125 1.793 2.708 1.00 1.29 H new ATOM 1950 N VAL A 131 -0.543 -3.889 2.414 1.00 0.76 N ATOM 1951 CA VAL A 131 0.570 -4.792 2.615 1.00 0.84 C ATOM 1952 C VAL A 131 0.951 -5.425 1.290 1.00 0.76 C ATOM 1953 O VAL A 131 0.101 -5.974 0.586 1.00 0.76 O ATOM 1954 CB VAL A 131 0.273 -5.882 3.672 1.00 1.05 C ATOM 1955 CG1 VAL A 131 0.113 -5.248 5.042 1.00 1.72 C ATOM 1956 CG2 VAL A 131 -0.970 -6.683 3.319 1.00 1.59 C ATOM 0 H VAL A 131 -1.465 -4.318 2.497 1.00 0.76 H new ATOM 0 HA VAL A 131 1.404 -4.207 3.002 1.00 0.84 H new ATOM 0 HB VAL A 131 1.118 -6.570 3.687 1.00 1.05 H new ATOM 0 HG11 VAL A 131 -0.096 -6.023 5.779 1.00 1.72 H new ATOM 0 HG12 VAL A 131 1.032 -4.728 5.312 1.00 1.72 H new ATOM 0 HG13 VAL A 131 -0.713 -4.537 5.020 1.00 1.72 H new ATOM 0 HG21 VAL A 131 -1.146 -7.438 4.085 1.00 1.59 H new ATOM 0 HG22 VAL A 131 -1.830 -6.015 3.264 1.00 1.59 H new ATOM 0 HG23 VAL A 131 -0.827 -7.170 2.355 1.00 1.59 H new ATOM 1966 N PRO A 132 2.229 -5.307 0.908 1.00 0.78 N ATOM 1967 CA PRO A 132 2.726 -5.849 -0.352 1.00 0.79 C ATOM 1968 C PRO A 132 2.332 -7.321 -0.535 1.00 0.83 C ATOM 1969 O PRO A 132 2.249 -8.070 0.441 1.00 0.85 O ATOM 1970 CB PRO A 132 4.242 -5.709 -0.229 1.00 0.90 C ATOM 1971 CG PRO A 132 4.455 -4.597 0.739 1.00 1.04 C ATOM 1972 CD PRO A 132 3.280 -4.611 1.673 1.00 0.88 C ATOM 0 HA PRO A 132 2.312 -5.329 -1.216 1.00 0.79 H new ATOM 0 HB2 PRO A 132 4.695 -6.634 0.128 1.00 0.90 H new ATOM 0 HB3 PRO A 132 4.696 -5.483 -1.194 1.00 0.90 H new ATOM 0 HG2 PRO A 132 5.387 -4.734 1.287 1.00 1.04 H new ATOM 0 HG3 PRO A 132 4.527 -3.641 0.221 1.00 1.04 H new ATOM 0 HD2 PRO A 132 3.513 -5.135 2.600 1.00 0.88 H new ATOM 0 HD3 PRO A 132 2.974 -3.601 1.945 1.00 0.88 H new