USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 642 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.097 (180deg=0.0554) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.105) USER MOD Single : A 13 SER OG : rot -66:sc= 1.15 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.306 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-0.49) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.46! K(o=-3.5!,f=-2.4) USER MOD Single : A 34 SER OG : rot 180:sc= 0.00985 USER MOD Single : A 38 THR OG1 : rot -160:sc= -2.8! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 155:sc= -0.351 (180deg=-1.17) USER MOD Single : A 47 SER OG : rot -29:sc= 0.117 USER MOD Single : A 49 GLN : amide:sc= -1.12 K(o=-1.1,f=-5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0436 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.19) USER MOD Single : A 57 TYR OH : rot -18:sc= -0.0908 USER MOD Single : A 59 GLN : amide:sc= 0.0616 X(o=0.062,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0137) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc=-0.00667 (180deg=-0.041) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -134:sc=-0.000838 (180deg=-0.0875) USER MOD Single : A 68 TYR OH : rot 5:sc= 0.599 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.725 16.211 5.582 1.00 0.00 N ATOM 2 CA MET A 1 -13.240 16.089 5.497 1.00 0.00 C ATOM 3 C MET A 1 -12.809 15.881 4.043 1.00 0.00 C ATOM 4 O MET A 1 -13.100 14.865 3.440 1.00 0.00 O ATOM 5 CB MET A 1 -12.894 14.860 6.342 1.00 0.00 C ATOM 6 CG MET A 1 -12.343 15.305 7.700 1.00 0.00 C ATOM 7 SD MET A 1 -13.718 15.662 8.821 1.00 0.00 S ATOM 8 CE MET A 1 -12.752 15.728 10.350 1.00 0.00 C ATOM 0 H1 MET A 1 -15.027 16.097 6.571 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.017 17.148 5.237 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.168 15.474 4.998 1.00 0.00 H new ATOM 0 HA MET A 1 -12.731 16.984 5.853 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.781 14.243 6.483 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.158 14.246 5.824 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.710 14.524 8.121 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.719 16.191 7.579 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.414 15.941 11.190 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.259 14.769 10.511 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.001 16.514 10.272 1.00 0.00 H new ATOM 20 N LYS A 2 -12.117 16.837 3.478 1.00 0.00 N ATOM 21 CA LYS A 2 -11.659 16.706 2.063 1.00 0.00 C ATOM 22 C LYS A 2 -10.216 17.198 1.927 1.00 0.00 C ATOM 23 O LYS A 2 -9.768 18.041 2.682 1.00 0.00 O ATOM 24 CB LYS A 2 -12.607 17.592 1.255 1.00 0.00 C ATOM 25 CG LYS A 2 -12.539 17.201 -0.223 1.00 0.00 C ATOM 26 CD LYS A 2 -13.832 17.621 -0.924 1.00 0.00 C ATOM 27 CE LYS A 2 -13.964 16.866 -2.248 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.354 17.136 -2.708 1.00 0.00 N ATOM 0 H LYS A 2 -11.849 17.707 3.939 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.676 15.672 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.627 17.483 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.334 18.640 1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.683 17.681 -0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.394 16.125 -0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.690 17.409 -0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.827 18.696 -1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.232 17.215 -2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.794 15.798 -2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.521 16.651 -3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.029 16.787 -1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.485 18.160 -2.835 1.00 0.00 H new ATOM 42 N LYS A 3 -9.490 16.677 0.972 1.00 0.00 N ATOM 43 CA LYS A 3 -8.074 17.108 0.780 1.00 0.00 C ATOM 44 C LYS A 3 -7.961 18.029 -0.438 1.00 0.00 C ATOM 45 O LYS A 3 -8.759 17.961 -1.352 1.00 0.00 O ATOM 46 CB LYS A 3 -7.292 15.815 0.550 1.00 0.00 C ATOM 47 CG LYS A 3 -6.779 15.281 1.888 1.00 0.00 C ATOM 48 CD LYS A 3 -7.930 14.619 2.649 1.00 0.00 C ATOM 49 CE LYS A 3 -7.441 14.176 4.030 1.00 0.00 C ATOM 50 NZ LYS A 3 -8.649 13.621 4.704 1.00 0.00 N ATOM 0 H LYS A 3 -9.818 15.969 0.315 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.694 17.666 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.930 15.072 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.456 15.999 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.978 14.561 1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.359 16.095 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.761 15.317 2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.303 13.760 2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.654 13.426 3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.026 15.014 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.395 13.295 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.378 14.359 4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.018 12.821 4.152 1.00 0.00 H new ATOM 64 N ASP A 4 -6.973 18.888 -0.452 1.00 0.00 N ATOM 65 CA ASP A 4 -6.798 19.819 -1.607 1.00 0.00 C ATOM 66 C ASP A 4 -5.732 19.273 -2.571 1.00 0.00 C ATOM 67 O ASP A 4 -5.072 18.301 -2.261 1.00 0.00 O ATOM 68 CB ASP A 4 -6.335 21.136 -0.983 1.00 0.00 C ATOM 69 CG ASP A 4 -7.529 22.083 -0.835 1.00 0.00 C ATOM 70 OD1 ASP A 4 -8.216 22.295 -1.819 1.00 0.00 O ATOM 71 OD2 ASP A 4 -7.734 22.578 0.261 1.00 0.00 O ATOM 0 H ASP A 4 -6.279 18.984 0.289 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.714 19.941 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.883 20.949 -0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.569 21.596 -1.607 1.00 0.00 H new ATOM 76 N PRO A 5 -5.591 19.911 -3.713 1.00 0.00 N ATOM 77 CA PRO A 5 -4.587 19.457 -4.707 1.00 0.00 C ATOM 78 C PRO A 5 -3.170 19.777 -4.218 1.00 0.00 C ATOM 79 O PRO A 5 -2.223 19.085 -4.539 1.00 0.00 O ATOM 80 CB PRO A 5 -4.925 20.260 -5.960 1.00 0.00 C ATOM 81 CG PRO A 5 -5.623 21.483 -5.458 1.00 0.00 C ATOM 82 CD PRO A 5 -6.333 21.093 -4.189 1.00 0.00 C ATOM 0 HA PRO A 5 -4.614 18.381 -4.880 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.025 20.520 -6.517 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -5.564 19.690 -6.634 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.909 22.285 -5.270 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -6.332 21.854 -6.198 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.312 21.899 -3.456 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -7.381 20.858 -4.374 1.00 0.00 H new ATOM 90 N ASN A 6 -3.026 20.821 -3.441 1.00 0.00 N ATOM 91 CA ASN A 6 -1.675 21.193 -2.923 1.00 0.00 C ATOM 92 C ASN A 6 -1.344 20.371 -1.676 1.00 0.00 C ATOM 93 O ASN A 6 -0.196 20.083 -1.396 1.00 0.00 O ATOM 94 CB ASN A 6 -1.780 22.678 -2.576 1.00 0.00 C ATOM 95 CG ASN A 6 -1.683 23.511 -3.855 1.00 0.00 C ATOM 96 OD1 ASN A 6 -0.624 23.622 -4.442 1.00 0.00 O ATOM 97 ND2 ASN A 6 -2.749 24.105 -4.317 1.00 0.00 N ATOM 0 H ASN A 6 -3.787 21.432 -3.143 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.885 21.000 -3.649 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.725 22.878 -2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.984 22.958 -1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.693 24.662 -5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.638 24.013 -3.825 1.00 0.00 H new ATOM 104 N ALA A 7 -2.348 19.990 -0.926 1.00 0.00 N ATOM 105 CA ALA A 7 -2.107 19.181 0.307 1.00 0.00 C ATOM 106 C ALA A 7 -1.880 17.707 -0.059 1.00 0.00 C ATOM 107 O ALA A 7 -2.274 17.273 -1.122 1.00 0.00 O ATOM 108 CB ALA A 7 -3.383 19.334 1.139 1.00 0.00 C ATOM 0 H ALA A 7 -3.327 20.205 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.222 19.514 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.284 18.767 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.540 20.387 1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.234 18.958 0.572 1.00 0.00 H new ATOM 114 N PRO A 8 -1.253 16.977 0.837 1.00 0.00 N ATOM 115 CA PRO A 8 -0.989 15.550 0.592 1.00 0.00 C ATOM 116 C PRO A 8 -2.220 14.701 0.919 1.00 0.00 C ATOM 117 O PRO A 8 -2.907 14.945 1.893 1.00 0.00 O ATOM 118 CB PRO A 8 0.170 15.225 1.507 1.00 0.00 C ATOM 119 CG PRO A 8 0.145 16.252 2.577 1.00 0.00 C ATOM 120 CD PRO A 8 -0.742 17.394 2.142 1.00 0.00 C ATOM 0 HA PRO A 8 -0.759 15.338 -0.452 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.069 14.223 1.925 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.115 15.250 0.964 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.227 15.819 3.506 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.154 16.614 2.775 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.552 17.561 2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.183 18.327 2.071 1.00 0.00 H new ATOM 128 N LYS A 9 -2.508 13.711 0.111 1.00 0.00 N ATOM 129 CA LYS A 9 -3.701 12.848 0.370 1.00 0.00 C ATOM 130 C LYS A 9 -3.331 11.692 1.299 1.00 0.00 C ATOM 131 O LYS A 9 -2.247 11.643 1.848 1.00 0.00 O ATOM 132 CB LYS A 9 -4.109 12.317 -1.005 1.00 0.00 C ATOM 133 CG LYS A 9 -4.857 13.409 -1.771 1.00 0.00 C ATOM 134 CD LYS A 9 -3.855 14.276 -2.535 1.00 0.00 C ATOM 135 CE LYS A 9 -4.570 14.995 -3.681 1.00 0.00 C ATOM 136 NZ LYS A 9 -4.629 13.997 -4.785 1.00 0.00 N ATOM 0 H LYS A 9 -1.968 13.463 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.508 13.397 0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.226 12.006 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.742 11.437 -0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.568 12.959 -2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.432 14.024 -1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.401 15.004 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.048 13.657 -2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.569 15.315 -3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.027 15.889 -3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.525 14.104 -5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.833 14.152 -5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.570 13.037 -4.389 1.00 0.00 H new ATOM 150 N ARG A 10 -4.232 10.764 1.471 1.00 0.00 N ATOM 151 CA ARG A 10 -3.954 9.596 2.365 1.00 0.00 C ATOM 152 C ARG A 10 -2.747 8.796 1.835 1.00 0.00 C ATOM 153 O ARG A 10 -2.590 8.650 0.640 1.00 0.00 O ATOM 154 CB ARG A 10 -5.230 8.743 2.331 1.00 0.00 C ATOM 155 CG ARG A 10 -5.521 8.283 0.898 1.00 0.00 C ATOM 156 CD ARG A 10 -7.026 8.071 0.727 1.00 0.00 C ATOM 157 NE ARG A 10 -7.248 8.051 -0.745 1.00 0.00 N ATOM 158 CZ ARG A 10 -8.010 7.136 -1.278 1.00 0.00 C ATOM 159 NH1 ARG A 10 -9.306 7.193 -1.120 1.00 0.00 N ATOM 160 NH2 ARG A 10 -7.480 6.164 -1.969 1.00 0.00 N ATOM 0 H ARG A 10 -5.152 10.761 1.031 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.707 9.906 3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.115 7.877 2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.072 9.320 2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.164 9.027 0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.986 7.357 0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.348 7.137 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.594 8.872 1.201 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.804 8.753 -1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.721 7.953 -0.580 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.902 6.478 -1.536 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.469 6.119 -2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.077 5.449 -2.385 1.00 0.00 H new ATOM 174 N PRO A 11 -1.927 8.297 2.738 1.00 0.00 N ATOM 175 CA PRO A 11 -0.738 7.512 2.320 1.00 0.00 C ATOM 176 C PRO A 11 -1.162 6.110 1.852 1.00 0.00 C ATOM 177 O PRO A 11 -2.313 5.744 1.985 1.00 0.00 O ATOM 178 CB PRO A 11 0.102 7.424 3.591 1.00 0.00 C ATOM 179 CG PRO A 11 -0.869 7.584 4.717 1.00 0.00 C ATOM 180 CD PRO A 11 -2.018 8.412 4.205 1.00 0.00 C ATOM 0 HA PRO A 11 -0.198 7.965 1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.623 6.468 3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.863 8.204 3.614 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.220 6.612 5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.393 8.072 5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.973 8.038 4.574 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.935 9.450 4.528 1.00 0.00 H new ATOM 188 N PRO A 12 -0.219 5.359 1.321 1.00 0.00 N ATOM 189 CA PRO A 12 -0.535 3.987 0.848 1.00 0.00 C ATOM 190 C PRO A 12 -0.836 3.079 2.044 1.00 0.00 C ATOM 191 O PRO A 12 -1.097 3.552 3.134 1.00 0.00 O ATOM 192 CB PRO A 12 0.737 3.554 0.119 1.00 0.00 C ATOM 193 CG PRO A 12 1.825 4.383 0.721 1.00 0.00 C ATOM 194 CD PRO A 12 1.200 5.695 1.113 1.00 0.00 C ATOM 0 HA PRO A 12 -1.413 3.938 0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.929 2.490 0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.656 3.727 -0.954 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.256 3.885 1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.634 4.537 0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.652 6.099 2.019 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.323 6.446 0.333 1.00 0.00 H new ATOM 202 N SER A 13 -0.802 1.777 1.856 1.00 0.00 N ATOM 203 CA SER A 13 -1.088 0.844 2.996 1.00 0.00 C ATOM 204 C SER A 13 -0.898 -0.616 2.577 1.00 0.00 C ATOM 205 O SER A 13 -1.794 -1.426 2.726 1.00 0.00 O ATOM 206 CB SER A 13 -2.553 1.099 3.376 1.00 0.00 C ATOM 207 OG SER A 13 -2.975 0.109 4.304 1.00 0.00 O ATOM 0 H SER A 13 -0.590 1.323 0.967 1.00 0.00 H new ATOM 0 HA SER A 13 -0.409 1.020 3.830 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.660 2.092 3.812 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.182 1.072 2.486 1.00 0.00 H new ATOM 0 HG SER A 13 -2.990 -0.767 3.864 1.00 0.00 H new ATOM 213 N ALA A 14 0.251 -0.962 2.030 1.00 0.00 N ATOM 214 CA ALA A 14 0.510 -2.371 1.570 1.00 0.00 C ATOM 215 C ALA A 14 -0.294 -2.652 0.306 1.00 0.00 C ATOM 216 O ALA A 14 0.263 -2.770 -0.771 1.00 0.00 O ATOM 217 CB ALA A 14 0.103 -3.324 2.710 1.00 0.00 C ATOM 0 H ALA A 14 1.029 -0.319 1.882 1.00 0.00 H new ATOM 0 HA ALA A 14 1.564 -2.517 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.280 -4.355 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.695 -3.103 3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.955 -3.190 2.936 1.00 0.00 H new ATOM 223 N PHE A 15 -1.592 -2.762 0.416 1.00 0.00 N ATOM 224 CA PHE A 15 -2.419 -3.036 -0.801 1.00 0.00 C ATOM 225 C PHE A 15 -2.276 -1.893 -1.812 1.00 0.00 C ATOM 226 O PHE A 15 -2.473 -2.081 -2.998 1.00 0.00 O ATOM 227 CB PHE A 15 -3.867 -3.138 -0.301 1.00 0.00 C ATOM 228 CG PHE A 15 -4.791 -3.438 -1.463 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.513 -4.510 -2.324 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.920 -2.641 -1.683 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.365 -4.782 -3.401 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.771 -2.914 -2.760 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.493 -3.984 -3.620 1.00 0.00 C ATOM 0 H PHE A 15 -2.114 -2.675 1.288 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.105 -3.948 -1.308 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.947 -3.923 0.451 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.162 -2.205 0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.642 -5.126 -2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.135 -1.815 -1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.151 -5.608 -4.063 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.643 -2.299 -2.928 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.149 -4.193 -4.452 1.00 0.00 H new ATOM 243 N PHE A 16 -1.940 -0.712 -1.354 1.00 0.00 N ATOM 244 CA PHE A 16 -1.791 0.440 -2.296 1.00 0.00 C ATOM 245 C PHE A 16 -0.522 0.282 -3.128 1.00 0.00 C ATOM 246 O PHE A 16 -0.482 0.669 -4.280 1.00 0.00 O ATOM 247 CB PHE A 16 -1.714 1.686 -1.412 1.00 0.00 C ATOM 248 CG PHE A 16 -2.144 2.895 -2.209 1.00 0.00 C ATOM 249 CD1 PHE A 16 -1.204 3.606 -2.963 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.483 3.304 -2.191 1.00 0.00 C ATOM 251 CE1 PHE A 16 -1.603 4.728 -3.702 1.00 0.00 C ATOM 252 CE2 PHE A 16 -3.881 4.425 -2.929 1.00 0.00 C ATOM 253 CZ PHE A 16 -2.942 5.137 -3.684 1.00 0.00 C ATOM 0 H PHE A 16 -1.763 -0.497 -0.373 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.622 0.503 -2.999 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.355 1.566 -0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.697 1.822 -1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.171 3.290 -2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.208 2.755 -1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.878 5.277 -4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.914 4.741 -2.916 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.250 6.002 -4.253 1.00 0.00 H new ATOM 263 N LEU A 17 0.501 -0.322 -2.574 1.00 0.00 N ATOM 264 CA LEU A 17 1.749 -0.542 -3.366 1.00 0.00 C ATOM 265 C LEU A 17 1.407 -1.529 -4.482 1.00 0.00 C ATOM 266 O LEU A 17 1.300 -1.156 -5.632 1.00 0.00 O ATOM 267 CB LEU A 17 2.765 -1.135 -2.382 1.00 0.00 C ATOM 268 CG LEU A 17 3.496 -0.015 -1.624 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.257 0.874 -2.613 1.00 0.00 C ATOM 270 CD2 LEU A 17 2.483 0.837 -0.849 1.00 0.00 C ATOM 0 H LEU A 17 0.525 -0.669 -1.615 1.00 0.00 H new ATOM 0 HA LEU A 17 2.154 0.363 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.256 -1.789 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.487 -1.749 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 17 4.201 -0.464 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.772 1.665 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.986 0.273 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.555 1.317 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.007 1.629 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.771 1.280 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.950 0.209 -0.136 1.00 0.00 H new ATOM 282 N PHE A 18 1.237 -2.788 -4.125 1.00 0.00 N ATOM 283 CA PHE A 18 0.880 -3.865 -5.123 1.00 0.00 C ATOM 284 C PHE A 18 -0.049 -3.313 -6.227 1.00 0.00 C ATOM 285 O PHE A 18 0.251 -3.418 -7.402 1.00 0.00 O ATOM 286 CB PHE A 18 0.166 -4.935 -4.286 1.00 0.00 C ATOM 287 CG PHE A 18 -0.344 -6.056 -5.168 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.519 -7.085 -5.569 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.684 -6.070 -5.572 1.00 0.00 C ATOM 290 CE1 PHE A 18 0.040 -8.126 -6.375 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.163 -7.112 -6.376 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.302 -8.140 -6.778 1.00 0.00 C ATOM 0 H PHE A 18 1.332 -3.122 -3.166 1.00 0.00 H new ATOM 0 HA PHE A 18 1.755 -4.258 -5.641 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.851 -5.337 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.666 -4.485 -3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.553 -7.075 -5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.349 -5.277 -5.264 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.705 -8.918 -6.686 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.197 -7.122 -6.686 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.672 -8.943 -7.398 1.00 0.00 H new ATOM 302 N CYS A 19 -1.167 -2.728 -5.863 1.00 0.00 N ATOM 303 CA CYS A 19 -2.086 -2.178 -6.904 1.00 0.00 C ATOM 304 C CYS A 19 -1.412 -1.025 -7.655 1.00 0.00 C ATOM 305 O CYS A 19 -1.528 -0.908 -8.860 1.00 0.00 O ATOM 306 CB CYS A 19 -3.319 -1.682 -6.143 1.00 0.00 C ATOM 307 SG CYS A 19 -4.566 -1.095 -7.318 1.00 0.00 S ATOM 0 H CYS A 19 -1.478 -2.610 -4.899 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.351 -2.928 -7.649 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.730 -2.487 -5.533 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.039 -0.878 -5.463 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.612 -0.677 -6.668 1.00 0.00 H new ATOM 313 N SER A 20 -0.716 -0.169 -6.950 1.00 0.00 N ATOM 314 CA SER A 20 -0.042 0.986 -7.621 1.00 0.00 C ATOM 315 C SER A 20 0.951 0.495 -8.680 1.00 0.00 C ATOM 316 O SER A 20 1.195 1.170 -9.664 1.00 0.00 O ATOM 317 CB SER A 20 0.694 1.737 -6.509 1.00 0.00 C ATOM 318 OG SER A 20 1.513 2.745 -7.087 1.00 0.00 O ATOM 0 H SER A 20 -0.585 -0.219 -5.940 1.00 0.00 H new ATOM 0 HA SER A 20 -0.761 1.624 -8.134 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.023 2.185 -5.820 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.304 1.045 -5.929 1.00 0.00 H new ATOM 0 HG SER A 20 1.985 3.229 -6.378 1.00 0.00 H new ATOM 324 N GLU A 21 1.531 -0.668 -8.491 1.00 0.00 N ATOM 325 CA GLU A 21 2.512 -1.182 -9.494 1.00 0.00 C ATOM 326 C GLU A 21 1.822 -2.077 -10.534 1.00 0.00 C ATOM 327 O GLU A 21 2.291 -2.199 -11.650 1.00 0.00 O ATOM 328 CB GLU A 21 3.556 -1.968 -8.691 1.00 0.00 C ATOM 329 CG GLU A 21 2.892 -3.127 -7.946 1.00 0.00 C ATOM 330 CD GLU A 21 3.952 -4.156 -7.549 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.891 -4.332 -8.308 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.805 -4.752 -6.495 1.00 0.00 O ATOM 0 H GLU A 21 1.367 -1.278 -7.690 1.00 0.00 H new ATOM 0 HA GLU A 21 2.972 -0.368 -10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.326 -2.351 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.051 -1.306 -7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.380 -2.756 -7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.136 -3.594 -8.578 1.00 0.00 H new ATOM 339 N HIS A 22 0.715 -2.697 -10.190 1.00 0.00 N ATOM 340 CA HIS A 22 0.010 -3.574 -11.178 1.00 0.00 C ATOM 341 C HIS A 22 -1.193 -2.843 -11.791 1.00 0.00 C ATOM 342 O HIS A 22 -2.068 -3.460 -12.369 1.00 0.00 O ATOM 343 CB HIS A 22 -0.471 -4.779 -10.369 1.00 0.00 C ATOM 344 CG HIS A 22 0.703 -5.623 -9.961 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.482 -6.304 -10.884 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.238 -5.911 -8.732 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.434 -6.965 -10.199 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.332 -6.760 -8.884 1.00 0.00 N ATOM 0 H HIS A 22 0.273 -2.633 -9.273 1.00 0.00 H new ATOM 0 HA HIS A 22 0.664 -3.859 -12.002 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.012 -4.442 -9.485 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.167 -5.372 -10.962 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.868 -5.537 -7.789 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.189 -7.586 -10.658 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.927 -7.142 -8.149 1.00 0.00 H new ATOM 356 N ARG A 23 -1.245 -1.539 -11.672 1.00 0.00 N ATOM 357 CA ARG A 23 -2.389 -0.773 -12.247 1.00 0.00 C ATOM 358 C ARG A 23 -2.208 -0.540 -13.763 1.00 0.00 C ATOM 359 O ARG A 23 -3.149 -0.729 -14.510 1.00 0.00 O ATOM 360 CB ARG A 23 -2.417 0.552 -11.476 1.00 0.00 C ATOM 361 CG ARG A 23 -3.589 1.408 -11.967 1.00 0.00 C ATOM 362 CD ARG A 23 -3.994 2.395 -10.870 1.00 0.00 C ATOM 363 NE ARG A 23 -2.876 3.377 -10.804 1.00 0.00 N ATOM 364 CZ ARG A 23 -3.132 4.656 -10.773 1.00 0.00 C ATOM 365 NH1 ARG A 23 -3.950 5.135 -9.877 1.00 0.00 N ATOM 366 NH2 ARG A 23 -2.570 5.456 -11.638 1.00 0.00 N ATOM 0 H ARG A 23 -0.541 -0.972 -11.199 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.328 -1.317 -12.146 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.516 0.361 -10.408 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.478 1.087 -11.618 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.306 1.948 -12.870 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.434 0.771 -12.228 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.937 2.886 -11.109 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.132 1.889 -9.915 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.910 3.050 -10.783 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.389 4.510 -9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.151 6.135 -9.852 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.930 5.081 -12.339 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.771 6.456 -11.613 1.00 0.00 H new ATOM 380 N PRO A 24 -1.021 -0.140 -14.193 1.00 0.00 N ATOM 381 CA PRO A 24 -0.807 0.095 -15.645 1.00 0.00 C ATOM 382 C PRO A 24 -0.698 -1.234 -16.411 1.00 0.00 C ATOM 383 O PRO A 24 -0.631 -1.245 -17.626 1.00 0.00 O ATOM 384 CB PRO A 24 0.511 0.860 -15.702 1.00 0.00 C ATOM 385 CG PRO A 24 1.239 0.482 -14.454 1.00 0.00 C ATOM 386 CD PRO A 24 0.204 0.130 -13.415 1.00 0.00 C ATOM 0 HA PRO A 24 -1.632 0.638 -16.105 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.084 0.591 -16.589 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.340 1.936 -15.747 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.901 -0.364 -14.638 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.863 1.306 -14.110 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.505 -0.741 -12.833 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.055 0.948 -12.710 1.00 0.00 H new ATOM 394 N LYS A 25 -0.684 -2.350 -15.718 1.00 0.00 N ATOM 395 CA LYS A 25 -0.582 -3.668 -16.415 1.00 0.00 C ATOM 396 C LYS A 25 -1.979 -4.180 -16.774 1.00 0.00 C ATOM 397 O LYS A 25 -2.189 -4.750 -17.828 1.00 0.00 O ATOM 398 CB LYS A 25 0.089 -4.598 -15.405 1.00 0.00 C ATOM 399 CG LYS A 25 0.437 -5.925 -16.083 1.00 0.00 C ATOM 400 CD LYS A 25 1.297 -6.770 -15.142 1.00 0.00 C ATOM 401 CE LYS A 25 1.749 -8.040 -15.863 1.00 0.00 C ATOM 402 NZ LYS A 25 2.477 -8.829 -14.831 1.00 0.00 N ATOM 0 H LYS A 25 -0.739 -2.402 -14.701 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.017 -3.604 -17.345 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.992 -4.132 -15.010 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.576 -4.773 -14.559 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.475 -6.464 -16.341 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.972 -5.740 -17.014 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.165 -6.198 -14.813 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.729 -7.029 -14.248 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.897 -8.595 -16.256 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.395 -7.805 -16.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.819 -9.717 -15.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.286 -8.278 -14.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.835 -9.043 -14.041 1.00 0.00 H new ATOM 416 N ILE A 26 -2.934 -3.979 -15.902 1.00 0.00 N ATOM 417 CA ILE A 26 -4.327 -4.448 -16.184 1.00 0.00 C ATOM 418 C ILE A 26 -4.993 -3.541 -17.227 1.00 0.00 C ATOM 419 O ILE A 26 -5.915 -3.946 -17.907 1.00 0.00 O ATOM 420 CB ILE A 26 -5.060 -4.366 -14.837 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.354 -5.263 -13.806 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.514 -4.821 -15.007 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.353 -6.723 -14.278 1.00 0.00 C ATOM 0 H ILE A 26 -2.810 -3.510 -15.005 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.347 -5.459 -16.591 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.047 -3.334 -14.486 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.330 -4.921 -13.658 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.858 -5.186 -12.842 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.029 -4.761 -14.048 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.015 -4.176 -15.729 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.534 -5.850 -15.365 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.850 -7.344 -13.537 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.380 -7.066 -14.402 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.828 -6.797 -15.231 1.00 0.00 H new ATOM 435 N LYS A 27 -4.524 -2.325 -17.367 1.00 0.00 N ATOM 436 CA LYS A 27 -5.121 -1.397 -18.379 1.00 0.00 C ATOM 437 C LYS A 27 -4.656 -1.773 -19.793 1.00 0.00 C ATOM 438 O LYS A 27 -5.295 -1.430 -20.770 1.00 0.00 O ATOM 439 CB LYS A 27 -4.607 -0.008 -17.997 1.00 0.00 C ATOM 440 CG LYS A 27 -5.254 0.430 -16.681 1.00 0.00 C ATOM 441 CD LYS A 27 -4.924 1.900 -16.413 1.00 0.00 C ATOM 442 CE LYS A 27 -6.046 2.532 -15.586 1.00 0.00 C ATOM 443 NZ LYS A 27 -5.408 3.687 -14.894 1.00 0.00 N ATOM 0 H LYS A 27 -3.754 -1.935 -16.824 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.210 -1.443 -18.384 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.522 -0.026 -17.893 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.840 0.708 -18.785 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.334 0.292 -16.731 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.891 -0.190 -15.861 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.976 1.980 -15.881 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.807 2.435 -17.355 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.870 2.858 -16.221 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.458 1.821 -14.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.115 4.173 -14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.632 3.345 -14.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.031 4.350 -15.601 1.00 0.00 H new ATOM 457 N SER A 28 -3.556 -2.480 -19.910 1.00 0.00 N ATOM 458 CA SER A 28 -3.060 -2.882 -21.264 1.00 0.00 C ATOM 459 C SER A 28 -3.941 -4.001 -21.826 1.00 0.00 C ATOM 460 O SER A 28 -4.396 -3.941 -22.953 1.00 0.00 O ATOM 461 CB SER A 28 -1.632 -3.383 -21.038 1.00 0.00 C ATOM 462 OG SER A 28 -0.994 -3.565 -22.295 1.00 0.00 O ATOM 0 H SER A 28 -2.982 -2.795 -19.128 1.00 0.00 H new ATOM 0 HA SER A 28 -3.088 -2.059 -21.978 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.074 -2.667 -20.434 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.647 -4.322 -20.485 1.00 0.00 H new ATOM 0 HG SER A 28 -0.078 -3.884 -22.154 1.00 0.00 H new ATOM 468 N GLU A 29 -4.193 -5.014 -21.036 1.00 0.00 N ATOM 469 CA GLU A 29 -5.058 -6.141 -21.501 1.00 0.00 C ATOM 470 C GLU A 29 -6.547 -5.796 -21.315 1.00 0.00 C ATOM 471 O GLU A 29 -7.412 -6.605 -21.592 1.00 0.00 O ATOM 472 CB GLU A 29 -4.671 -7.326 -20.617 1.00 0.00 C ATOM 473 CG GLU A 29 -3.268 -7.807 -20.992 1.00 0.00 C ATOM 474 CD GLU A 29 -3.048 -9.219 -20.445 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.032 -9.367 -19.234 1.00 0.00 O ATOM 476 OE2 GLU A 29 -2.900 -10.127 -21.246 1.00 0.00 O ATOM 0 H GLU A 29 -3.836 -5.109 -20.085 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.916 -6.353 -22.561 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.698 -7.034 -19.567 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.390 -8.136 -20.741 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.148 -7.803 -22.075 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.519 -7.128 -20.586 1.00 0.00 H new ATOM 483 N HIS A 30 -6.851 -4.600 -20.868 1.00 0.00 N ATOM 484 CA HIS A 30 -8.276 -4.193 -20.683 1.00 0.00 C ATOM 485 C HIS A 30 -8.391 -2.671 -20.846 1.00 0.00 C ATOM 486 O HIS A 30 -8.315 -1.943 -19.879 1.00 0.00 O ATOM 487 CB HIS A 30 -8.667 -4.603 -19.259 1.00 0.00 C ATOM 488 CG HIS A 30 -8.532 -6.091 -19.086 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.601 -6.957 -19.256 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.465 -6.876 -18.740 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.156 -8.202 -19.008 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.859 -8.210 -18.688 1.00 0.00 N ATOM 0 H HIS A 30 -6.166 -3.885 -20.622 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.930 -4.666 -21.416 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.032 -4.088 -18.538 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.693 -4.298 -19.055 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.468 -6.515 -18.538 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.772 -9.087 -19.061 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.282 -9.019 -18.456 1.00 0.00 H new ATOM 500 N PRO A 31 -8.565 -2.232 -22.069 1.00 0.00 N ATOM 501 CA PRO A 31 -8.687 -0.776 -22.333 1.00 0.00 C ATOM 502 C PRO A 31 -9.994 -0.239 -21.745 1.00 0.00 C ATOM 503 O PRO A 31 -11.067 -0.721 -22.057 1.00 0.00 O ATOM 504 CB PRO A 31 -8.687 -0.688 -23.860 1.00 0.00 C ATOM 505 CG PRO A 31 -9.164 -2.028 -24.317 1.00 0.00 C ATOM 506 CD PRO A 31 -8.666 -3.024 -23.304 1.00 0.00 C ATOM 0 HA PRO A 31 -7.890 -0.185 -21.882 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.345 0.107 -24.211 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.690 -0.470 -24.244 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.252 -2.051 -24.383 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.780 -2.259 -25.310 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.356 -3.860 -23.190 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.702 -3.443 -23.593 1.00 0.00 H new ATOM 514 N GLY A 32 -9.908 0.748 -20.889 1.00 0.00 N ATOM 515 CA GLY A 32 -11.141 1.315 -20.266 1.00 0.00 C ATOM 516 C GLY A 32 -11.369 0.683 -18.884 1.00 0.00 C ATOM 517 O GLY A 32 -12.125 1.195 -18.081 1.00 0.00 O ATOM 0 H GLY A 32 -9.035 1.186 -20.595 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.045 2.396 -20.169 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.002 1.127 -20.908 1.00 0.00 H new ATOM 521 N LEU A 33 -10.728 -0.431 -18.602 1.00 0.00 N ATOM 522 CA LEU A 33 -10.909 -1.110 -17.275 1.00 0.00 C ATOM 523 C LEU A 33 -10.740 -0.122 -16.114 1.00 0.00 C ATOM 524 O LEU A 33 -9.637 0.237 -15.745 1.00 0.00 O ATOM 525 CB LEU A 33 -9.808 -2.179 -17.231 1.00 0.00 C ATOM 526 CG LEU A 33 -10.213 -3.346 -16.319 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.420 -2.842 -14.892 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.507 -3.990 -16.829 1.00 0.00 C ATOM 0 H LEU A 33 -10.084 -0.901 -19.238 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.909 -1.532 -17.171 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.615 -2.549 -18.238 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.880 -1.736 -16.871 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.417 -4.091 -16.327 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.707 -3.675 -14.250 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.493 -2.402 -14.523 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.208 -2.089 -14.883 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.785 -4.816 -16.175 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.305 -3.248 -16.835 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.353 -4.365 -17.841 1.00 0.00 H new ATOM 540 N SER A 34 -11.833 0.315 -15.541 1.00 0.00 N ATOM 541 CA SER A 34 -11.762 1.282 -14.398 1.00 0.00 C ATOM 542 C SER A 34 -10.889 0.715 -13.272 1.00 0.00 C ATOM 543 O SER A 34 -10.291 -0.335 -13.411 1.00 0.00 O ATOM 544 CB SER A 34 -13.206 1.448 -13.924 1.00 0.00 C ATOM 545 OG SER A 34 -13.802 0.166 -13.779 1.00 0.00 O ATOM 0 H SER A 34 -12.777 0.043 -15.816 1.00 0.00 H new ATOM 0 HA SER A 34 -11.319 2.233 -14.694 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.230 1.983 -12.974 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.770 2.045 -14.641 1.00 0.00 H new ATOM 0 HG SER A 34 -14.728 0.268 -13.474 1.00 0.00 H new ATOM 551 N ILE A 35 -10.813 1.405 -12.162 1.00 0.00 N ATOM 552 CA ILE A 35 -9.975 0.911 -11.024 1.00 0.00 C ATOM 553 C ILE A 35 -10.816 0.051 -10.064 1.00 0.00 C ATOM 554 O ILE A 35 -10.424 -0.193 -8.939 1.00 0.00 O ATOM 555 CB ILE A 35 -9.479 2.178 -10.317 1.00 0.00 C ATOM 556 CG1 ILE A 35 -8.691 3.047 -11.304 1.00 0.00 C ATOM 557 CG2 ILE A 35 -8.565 1.795 -9.151 1.00 0.00 C ATOM 558 CD1 ILE A 35 -8.409 4.411 -10.671 1.00 0.00 C ATOM 0 H ILE A 35 -11.294 2.288 -11.993 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.152 0.283 -11.365 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.339 2.734 -9.943 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.754 2.557 -11.569 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.257 3.173 -12.227 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.215 2.698 -8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.118 1.179 -8.442 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.710 1.234 -9.528 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.849 5.029 -11.373 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.352 4.901 -10.428 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.825 4.276 -9.760 1.00 0.00 H new ATOM 570 N GLY A 36 -11.964 -0.410 -10.499 1.00 0.00 N ATOM 571 CA GLY A 36 -12.819 -1.254 -9.612 1.00 0.00 C ATOM 572 C GLY A 36 -12.634 -2.727 -9.978 1.00 0.00 C ATOM 573 O GLY A 36 -12.339 -3.552 -9.134 1.00 0.00 O ATOM 0 H GLY A 36 -12.344 -0.237 -11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.551 -1.091 -8.568 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.866 -0.970 -9.720 1.00 0.00 H new ATOM 577 N ASP A 37 -12.808 -3.061 -11.232 1.00 0.00 N ATOM 578 CA ASP A 37 -12.647 -4.483 -11.662 1.00 0.00 C ATOM 579 C ASP A 37 -11.206 -4.950 -11.432 1.00 0.00 C ATOM 580 O ASP A 37 -10.976 -6.010 -10.878 1.00 0.00 O ATOM 581 CB ASP A 37 -12.982 -4.495 -13.155 1.00 0.00 C ATOM 582 CG ASP A 37 -14.463 -4.161 -13.349 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.288 -4.893 -12.827 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.747 -3.178 -14.014 1.00 0.00 O ATOM 0 H ASP A 37 -13.055 -2.409 -11.977 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.293 -5.155 -11.096 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.363 -3.770 -13.683 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.760 -5.474 -13.580 1.00 0.00 H new ATOM 589 N THR A 38 -10.236 -4.171 -11.848 1.00 0.00 N ATOM 590 CA THR A 38 -8.811 -4.580 -11.644 1.00 0.00 C ATOM 591 C THR A 38 -8.483 -4.572 -10.148 1.00 0.00 C ATOM 592 O THR A 38 -7.678 -5.351 -9.676 1.00 0.00 O ATOM 593 CB THR A 38 -7.965 -3.554 -12.414 1.00 0.00 C ATOM 594 OG1 THR A 38 -6.593 -3.898 -12.292 1.00 0.00 O ATOM 595 CG2 THR A 38 -8.182 -2.145 -11.859 1.00 0.00 C ATOM 0 H THR A 38 -10.368 -3.275 -12.317 1.00 0.00 H new ATOM 0 HA THR A 38 -8.611 -5.589 -12.006 1.00 0.00 H new ATOM 0 HB THR A 38 -8.267 -3.566 -13.461 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.040 -3.114 -12.491 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.573 -1.435 -12.419 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.234 -1.875 -11.954 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.894 -2.120 -10.808 1.00 0.00 H new ATOM 603 N ALA A 39 -9.121 -3.707 -9.402 1.00 0.00 N ATOM 604 CA ALA A 39 -8.873 -3.651 -7.929 1.00 0.00 C ATOM 605 C ALA A 39 -9.454 -4.903 -7.267 1.00 0.00 C ATOM 606 O ALA A 39 -8.974 -5.359 -6.247 1.00 0.00 O ATOM 607 CB ALA A 39 -9.601 -2.397 -7.441 1.00 0.00 C ATOM 0 H ALA A 39 -9.805 -3.035 -9.750 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.811 -3.614 -7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.462 -2.291 -6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.195 -1.521 -7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.665 -2.484 -7.663 1.00 0.00 H new ATOM 613 N LYS A 40 -10.474 -5.473 -7.862 1.00 0.00 N ATOM 614 CA LYS A 40 -11.080 -6.711 -7.295 1.00 0.00 C ATOM 615 C LYS A 40 -10.163 -7.887 -7.616 1.00 0.00 C ATOM 616 O LYS A 40 -9.954 -8.768 -6.804 1.00 0.00 O ATOM 617 CB LYS A 40 -12.429 -6.864 -8.002 1.00 0.00 C ATOM 618 CG LYS A 40 -13.488 -6.043 -7.264 1.00 0.00 C ATOM 619 CD LYS A 40 -14.880 -6.451 -7.751 1.00 0.00 C ATOM 620 CE LYS A 40 -15.330 -7.714 -7.013 1.00 0.00 C ATOM 621 NZ LYS A 40 -16.764 -7.883 -7.378 1.00 0.00 N ATOM 0 H LYS A 40 -10.911 -5.131 -8.718 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.210 -6.670 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.350 -6.529 -9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.721 -7.914 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.405 -6.205 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.327 -4.979 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.590 -5.642 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.862 -6.632 -8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.741 -8.579 -7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.207 -7.606 -5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.144 -8.730 -6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.301 -7.047 -7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.850 -7.990 -8.409 1.00 0.00 H new ATOM 635 N LYS A 41 -9.601 -7.886 -8.797 1.00 0.00 N ATOM 636 CA LYS A 41 -8.671 -8.985 -9.186 1.00 0.00 C ATOM 637 C LYS A 41 -7.371 -8.841 -8.394 1.00 0.00 C ATOM 638 O LYS A 41 -6.930 -9.759 -7.730 1.00 0.00 O ATOM 639 CB LYS A 41 -8.416 -8.793 -10.683 1.00 0.00 C ATOM 640 CG LYS A 41 -7.923 -10.109 -11.289 1.00 0.00 C ATOM 641 CD LYS A 41 -8.100 -10.071 -12.807 1.00 0.00 C ATOM 642 CE LYS A 41 -7.358 -11.252 -13.437 1.00 0.00 C ATOM 643 NZ LYS A 41 -7.655 -11.162 -14.893 1.00 0.00 N ATOM 0 H LYS A 41 -9.747 -7.170 -9.509 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.078 -9.975 -8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.331 -8.471 -11.180 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.676 -8.008 -10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.874 -10.266 -11.039 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.480 -10.946 -10.868 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.159 -10.115 -13.062 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.716 -9.132 -13.205 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.286 -11.191 -13.248 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.701 -12.200 -13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.180 -11.940 -15.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.682 -11.230 -15.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.311 -10.252 -15.262 1.00 0.00 H new ATOM 657 N LEU A 42 -6.757 -7.685 -8.465 1.00 0.00 N ATOM 658 CA LEU A 42 -5.473 -7.438 -7.724 1.00 0.00 C ATOM 659 C LEU A 42 -5.577 -7.896 -6.264 1.00 0.00 C ATOM 660 O LEU A 42 -4.809 -8.723 -5.810 1.00 0.00 O ATOM 661 CB LEU A 42 -5.282 -5.923 -7.779 1.00 0.00 C ATOM 662 CG LEU A 42 -4.305 -5.556 -8.896 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.873 -5.969 -10.253 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.093 -4.048 -8.884 1.00 0.00 C ATOM 0 H LEU A 42 -7.092 -6.891 -9.010 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.642 -7.989 -8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.241 -5.434 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.905 -5.561 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.361 -6.076 -8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.167 -5.702 -11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.039 -7.046 -10.265 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.818 -5.454 -10.424 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.397 -3.772 -9.677 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.046 -3.545 -9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.683 -3.746 -7.920 1.00 0.00 H new ATOM 676 N GLY A 43 -6.522 -7.359 -5.526 1.00 0.00 N ATOM 677 CA GLY A 43 -6.688 -7.754 -4.089 1.00 0.00 C ATOM 678 C GLY A 43 -6.753 -9.280 -3.972 1.00 0.00 C ATOM 679 O GLY A 43 -6.361 -9.852 -2.972 1.00 0.00 O ATOM 0 H GLY A 43 -7.188 -6.662 -5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.856 -7.370 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.597 -7.310 -3.684 1.00 0.00 H new ATOM 683 N GLU A 44 -7.216 -9.940 -5.004 1.00 0.00 N ATOM 684 CA GLU A 44 -7.274 -11.428 -4.974 1.00 0.00 C ATOM 685 C GLU A 44 -5.848 -11.968 -5.062 1.00 0.00 C ATOM 686 O GLU A 44 -5.491 -12.922 -4.399 1.00 0.00 O ATOM 687 CB GLU A 44 -8.085 -11.833 -6.208 1.00 0.00 C ATOM 688 CG GLU A 44 -8.669 -13.233 -5.998 1.00 0.00 C ATOM 689 CD GLU A 44 -9.518 -13.619 -7.211 1.00 0.00 C ATOM 690 OE1 GLU A 44 -10.584 -13.047 -7.369 1.00 0.00 O ATOM 691 OE2 GLU A 44 -9.086 -14.479 -7.962 1.00 0.00 O ATOM 0 H GLU A 44 -7.556 -9.510 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.730 -11.820 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.887 -11.115 -6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.450 -11.821 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.866 -13.956 -5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.277 -13.253 -5.094 1.00 0.00 H new ATOM 698 N MET A 45 -5.027 -11.344 -5.872 1.00 0.00 N ATOM 699 CA MET A 45 -3.611 -11.793 -6.006 1.00 0.00 C ATOM 700 C MET A 45 -2.792 -11.271 -4.823 1.00 0.00 C ATOM 701 O MET A 45 -1.984 -11.983 -4.262 1.00 0.00 O ATOM 702 CB MET A 45 -3.115 -11.178 -7.315 1.00 0.00 C ATOM 703 CG MET A 45 -3.631 -12.003 -8.496 1.00 0.00 C ATOM 704 SD MET A 45 -3.056 -11.264 -10.045 1.00 0.00 S ATOM 705 CE MET A 45 -4.411 -11.849 -11.092 1.00 0.00 C ATOM 0 H MET A 45 -5.280 -10.540 -6.447 1.00 0.00 H new ATOM 0 HA MET A 45 -3.518 -12.879 -6.013 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.461 -10.148 -7.399 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.025 -11.150 -7.326 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.277 -13.031 -8.418 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.720 -12.039 -8.480 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.522 -11.184 -11.949 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.191 -12.858 -11.441 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.337 -11.857 -10.517 1.00 0.00 H new ATOM 715 N TRP A 46 -3.009 -10.035 -4.426 1.00 0.00 N ATOM 716 CA TRP A 46 -2.252 -9.458 -3.260 1.00 0.00 C ATOM 717 C TRP A 46 -2.351 -10.401 -2.052 1.00 0.00 C ATOM 718 O TRP A 46 -1.369 -10.679 -1.389 1.00 0.00 O ATOM 719 CB TRP A 46 -2.929 -8.108 -2.972 1.00 0.00 C ATOM 720 CG TRP A 46 -2.333 -7.483 -1.748 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.024 -7.094 -0.653 1.00 0.00 C ATOM 722 CD2 TRP A 46 -0.940 -7.174 -1.482 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.139 -6.558 0.266 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.842 -6.585 -0.201 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.236 -7.345 -2.227 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.385 -6.180 0.323 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.473 -6.939 -1.705 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.546 -6.357 -0.433 1.00 0.00 C ATOM 0 H TRP A 46 -3.679 -9.399 -4.859 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.190 -9.332 -3.470 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.807 -7.442 -3.826 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.000 -8.252 -2.831 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.091 -7.186 -0.518 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.412 -6.189 1.177 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.189 -7.792 -3.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.437 -5.733 1.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.373 -7.076 -2.286 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.501 -6.045 -0.036 1.00 0.00 H new ATOM 739 N SER A 47 -3.528 -10.907 -1.779 1.00 0.00 N ATOM 740 CA SER A 47 -3.695 -11.850 -0.632 1.00 0.00 C ATOM 741 C SER A 47 -2.978 -13.180 -0.921 1.00 0.00 C ATOM 742 O SER A 47 -2.873 -14.031 -0.059 1.00 0.00 O ATOM 743 CB SER A 47 -5.203 -12.075 -0.509 1.00 0.00 C ATOM 744 OG SER A 47 -5.473 -12.818 0.671 1.00 0.00 O ATOM 0 H SER A 47 -4.381 -10.707 -2.302 1.00 0.00 H new ATOM 0 HA SER A 47 -3.266 -11.450 0.287 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.723 -11.118 -0.477 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.575 -12.611 -1.383 1.00 0.00 H new ATOM 0 HG SER A 47 -4.707 -13.393 0.878 1.00 0.00 H new ATOM 750 N GLU A 48 -2.473 -13.362 -2.122 1.00 0.00 N ATOM 751 CA GLU A 48 -1.756 -14.617 -2.466 1.00 0.00 C ATOM 752 C GLU A 48 -0.256 -14.354 -2.601 1.00 0.00 C ATOM 753 O GLU A 48 0.529 -15.283 -2.667 1.00 0.00 O ATOM 754 CB GLU A 48 -2.348 -15.041 -3.810 1.00 0.00 C ATOM 755 CG GLU A 48 -3.717 -15.686 -3.586 1.00 0.00 C ATOM 756 CD GLU A 48 -4.161 -16.401 -4.863 1.00 0.00 C ATOM 757 OE1 GLU A 48 -4.448 -15.717 -5.832 1.00 0.00 O ATOM 758 OE2 GLU A 48 -4.205 -17.620 -4.852 1.00 0.00 O ATOM 0 H GLU A 48 -2.532 -12.682 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.872 -15.385 -1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.445 -14.176 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.680 -15.744 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.666 -16.395 -2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.448 -14.926 -3.310 1.00 0.00 H new ATOM 765 N GLN A 49 0.163 -13.106 -2.637 1.00 0.00 N ATOM 766 CA GLN A 49 1.622 -12.819 -2.758 1.00 0.00 C ATOM 767 C GLN A 49 2.352 -13.364 -1.536 1.00 0.00 C ATOM 768 O GLN A 49 1.845 -13.325 -0.429 1.00 0.00 O ATOM 769 CB GLN A 49 1.745 -11.289 -2.807 1.00 0.00 C ATOM 770 CG GLN A 49 1.024 -10.741 -4.041 1.00 0.00 C ATOM 771 CD GLN A 49 1.685 -11.275 -5.312 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.863 -11.574 -5.320 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.971 -11.408 -6.397 1.00 0.00 N ATOM 0 H GLN A 49 -0.441 -12.285 -2.588 1.00 0.00 H new ATOM 0 HA GLN A 49 2.058 -13.283 -3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.318 -10.853 -1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.796 -11.002 -2.833 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.026 -11.031 -4.018 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.054 -9.651 -4.036 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.018 -11.157 -6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.402 -11.763 -7.251 1.00 0.00 H new ATOM 782 N SER A 50 3.543 -13.849 -1.725 1.00 0.00 N ATOM 783 CA SER A 50 4.333 -14.376 -0.577 1.00 0.00 C ATOM 784 C SER A 50 5.227 -13.255 -0.039 1.00 0.00 C ATOM 785 O SER A 50 4.886 -12.093 -0.138 1.00 0.00 O ATOM 786 CB SER A 50 5.166 -15.518 -1.162 1.00 0.00 C ATOM 787 OG SER A 50 6.113 -14.986 -2.080 1.00 0.00 O ATOM 0 H SER A 50 4.009 -13.905 -2.631 1.00 0.00 H new ATOM 0 HA SER A 50 3.716 -14.726 0.250 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.678 -16.056 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.518 -16.236 -1.665 1.00 0.00 H new ATOM 0 HG SER A 50 6.650 -15.715 -2.456 1.00 0.00 H new ATOM 793 N ALA A 51 6.363 -13.582 0.519 1.00 0.00 N ATOM 794 CA ALA A 51 7.265 -12.516 1.049 1.00 0.00 C ATOM 795 C ALA A 51 8.027 -11.828 -0.096 1.00 0.00 C ATOM 796 O ALA A 51 8.674 -10.819 0.107 1.00 0.00 O ATOM 797 CB ALA A 51 8.235 -13.237 1.985 1.00 0.00 C ATOM 0 H ALA A 51 6.705 -14.537 0.631 1.00 0.00 H new ATOM 0 HA ALA A 51 6.708 -11.734 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.931 -12.516 2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.676 -13.722 2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.791 -13.988 1.424 1.00 0.00 H new ATOM 803 N LYS A 52 7.959 -12.359 -1.297 1.00 0.00 N ATOM 804 CA LYS A 52 8.683 -11.722 -2.441 1.00 0.00 C ATOM 805 C LYS A 52 7.931 -10.473 -2.912 1.00 0.00 C ATOM 806 O LYS A 52 8.521 -9.435 -3.148 1.00 0.00 O ATOM 807 CB LYS A 52 8.705 -12.782 -3.544 1.00 0.00 C ATOM 808 CG LYS A 52 9.772 -12.422 -4.579 1.00 0.00 C ATOM 809 CD LYS A 52 11.142 -12.886 -4.083 1.00 0.00 C ATOM 810 CE LYS A 52 12.121 -12.939 -5.258 1.00 0.00 C ATOM 811 NZ LYS A 52 13.170 -13.911 -4.841 1.00 0.00 N ATOM 0 H LYS A 52 7.435 -13.202 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 52 9.688 -11.404 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.915 -13.762 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.727 -12.845 -4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.541 -12.893 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.780 -11.345 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.513 -12.204 -3.318 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.059 -13.870 -3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.624 -13.263 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.550 -11.957 -5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.879 -14.002 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.631 -13.573 -3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.733 -14.838 -4.663 1.00 0.00 H new ATOM 825 N ASP A 53 6.632 -10.566 -3.045 1.00 0.00 N ATOM 826 CA ASP A 53 5.830 -9.388 -3.496 1.00 0.00 C ATOM 827 C ASP A 53 4.826 -8.993 -2.410 1.00 0.00 C ATOM 828 O ASP A 53 3.631 -8.942 -2.637 1.00 0.00 O ATOM 829 CB ASP A 53 5.099 -9.861 -4.751 1.00 0.00 C ATOM 830 CG ASP A 53 5.851 -9.388 -5.996 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.938 -9.888 -6.233 1.00 0.00 O ATOM 832 OD2 ASP A 53 5.328 -8.531 -6.690 1.00 0.00 O ATOM 0 H ASP A 53 6.090 -11.410 -2.860 1.00 0.00 H new ATOM 0 HA ASP A 53 6.452 -8.515 -3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.024 -10.948 -4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.081 -9.471 -4.759 1.00 0.00 H new ATOM 837 N LYS A 54 5.309 -8.712 -1.229 1.00 0.00 N ATOM 838 CA LYS A 54 4.401 -8.318 -0.116 1.00 0.00 C ATOM 839 C LYS A 54 5.191 -7.800 1.094 1.00 0.00 C ATOM 840 O LYS A 54 4.712 -6.964 1.835 1.00 0.00 O ATOM 841 CB LYS A 54 3.658 -9.601 0.238 1.00 0.00 C ATOM 842 CG LYS A 54 2.192 -9.281 0.547 1.00 0.00 C ATOM 843 CD LYS A 54 1.536 -10.465 1.257 1.00 0.00 C ATOM 844 CE LYS A 54 2.050 -10.553 2.696 1.00 0.00 C ATOM 845 NZ LYS A 54 1.114 -9.706 3.488 1.00 0.00 N ATOM 0 H LYS A 54 6.300 -8.739 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 54 3.730 -7.508 -0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.719 -10.308 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.126 -10.077 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.130 -8.391 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.657 -9.059 -0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.452 -10.348 1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.758 -11.390 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.050 -11.583 3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.074 -10.189 2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.400 -9.715 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.140 -8.730 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.148 -10.081 3.401 1.00 0.00 H new ATOM 859 N GLN A 55 6.391 -8.284 1.300 1.00 0.00 N ATOM 860 CA GLN A 55 7.206 -7.813 2.463 1.00 0.00 C ATOM 861 C GLN A 55 7.790 -6.411 2.201 1.00 0.00 C ATOM 862 O GLN A 55 7.661 -5.541 3.037 1.00 0.00 O ATOM 863 CB GLN A 55 8.328 -8.840 2.619 1.00 0.00 C ATOM 864 CG GLN A 55 7.850 -9.986 3.513 1.00 0.00 C ATOM 865 CD GLN A 55 7.728 -9.491 4.956 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.697 -9.056 5.546 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.568 -9.540 5.554 1.00 0.00 N ATOM 0 H GLN A 55 6.842 -8.985 0.713 1.00 0.00 H new ATOM 0 HA GLN A 55 6.600 -7.731 3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.622 -9.225 1.642 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.209 -8.368 3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.887 -10.358 3.162 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.551 -10.819 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.754 -9.905 5.059 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.476 -9.213 6.516 1.00 0.00 H new ATOM 876 N PRO A 56 8.422 -6.221 1.058 1.00 0.00 N ATOM 877 CA PRO A 56 9.012 -4.892 0.751 1.00 0.00 C ATOM 878 C PRO A 56 7.920 -3.865 0.410 1.00 0.00 C ATOM 879 O PRO A 56 8.192 -2.684 0.307 1.00 0.00 O ATOM 880 CB PRO A 56 9.901 -5.160 -0.458 1.00 0.00 C ATOM 881 CG PRO A 56 9.318 -6.369 -1.113 1.00 0.00 C ATOM 882 CD PRO A 56 8.652 -7.185 -0.035 1.00 0.00 C ATOM 0 HA PRO A 56 9.559 -4.472 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.908 -4.308 -1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.934 -5.335 -0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.597 -6.082 -1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.095 -6.950 -1.610 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.716 -7.620 -0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.286 -8.010 0.289 1.00 0.00 H new ATOM 890 N TYR A 57 6.693 -4.299 0.238 1.00 0.00 N ATOM 891 CA TYR A 57 5.598 -3.338 -0.092 1.00 0.00 C ATOM 892 C TYR A 57 4.979 -2.787 1.193 1.00 0.00 C ATOM 893 O TYR A 57 4.568 -1.643 1.250 1.00 0.00 O ATOM 894 CB TYR A 57 4.575 -4.154 -0.883 1.00 0.00 C ATOM 895 CG TYR A 57 5.084 -4.372 -2.288 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.462 -3.278 -3.077 1.00 0.00 C ATOM 897 CD2 TYR A 57 5.180 -5.670 -2.803 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.935 -3.482 -4.378 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.652 -5.875 -4.104 1.00 0.00 C ATOM 900 CZ TYR A 57 6.030 -4.781 -4.892 1.00 0.00 C ATOM 901 OH TYR A 57 6.497 -4.983 -6.174 1.00 0.00 O ATOM 0 H TYR A 57 6.406 -5.275 0.312 1.00 0.00 H new ATOM 0 HA TYR A 57 5.956 -2.481 -0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.402 -5.113 -0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.618 -3.632 -0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.388 -2.276 -2.681 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.889 -6.514 -2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.227 -2.638 -4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.725 -6.877 -4.500 1.00 0.00 H new ATOM 0 HH TYR A 57 6.444 -4.144 -6.678 1.00 0.00 H new ATOM 911 N GLU A 58 4.921 -3.587 2.231 1.00 0.00 N ATOM 912 CA GLU A 58 4.339 -3.101 3.519 1.00 0.00 C ATOM 913 C GLU A 58 5.362 -2.240 4.269 1.00 0.00 C ATOM 914 O GLU A 58 5.002 -1.420 5.093 1.00 0.00 O ATOM 915 CB GLU A 58 3.980 -4.356 4.325 1.00 0.00 C ATOM 916 CG GLU A 58 5.219 -5.236 4.520 1.00 0.00 C ATOM 917 CD GLU A 58 5.252 -5.776 5.952 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.415 -4.978 6.860 1.00 0.00 O ATOM 919 OE2 GLU A 58 5.113 -6.977 6.115 1.00 0.00 O ATOM 0 H GLU A 58 5.251 -4.552 2.241 1.00 0.00 H new ATOM 0 HA GLU A 58 3.459 -2.479 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.573 -4.069 5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.204 -4.919 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.204 -6.063 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.121 -4.659 4.318 1.00 0.00 H new ATOM 926 N GLN A 59 6.631 -2.393 3.969 1.00 0.00 N ATOM 927 CA GLN A 59 7.672 -1.554 4.640 1.00 0.00 C ATOM 928 C GLN A 59 7.911 -0.269 3.829 1.00 0.00 C ATOM 929 O GLN A 59 8.533 0.663 4.302 1.00 0.00 O ATOM 930 CB GLN A 59 8.936 -2.412 4.653 1.00 0.00 C ATOM 931 CG GLN A 59 8.683 -3.692 5.453 1.00 0.00 C ATOM 932 CD GLN A 59 9.993 -4.466 5.604 1.00 0.00 C ATOM 933 OE1 GLN A 59 10.690 -4.318 6.589 1.00 0.00 O ATOM 934 NE2 GLN A 59 10.359 -5.294 4.664 1.00 0.00 N ATOM 0 H GLN A 59 6.989 -3.063 3.288 1.00 0.00 H new ATOM 0 HA GLN A 59 7.374 -1.256 5.645 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.228 -2.661 3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.762 -1.853 5.094 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.278 -3.446 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.940 -4.309 4.947 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.774 -5.418 3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.230 -5.817 4.756 1.00 0.00 H new ATOM 943 N LYS A 60 7.397 -0.206 2.620 1.00 0.00 N ATOM 944 CA LYS A 60 7.562 1.019 1.788 1.00 0.00 C ATOM 945 C LYS A 60 6.377 1.947 2.048 1.00 0.00 C ATOM 946 O LYS A 60 6.502 3.157 2.026 1.00 0.00 O ATOM 947 CB LYS A 60 7.559 0.524 0.341 1.00 0.00 C ATOM 948 CG LYS A 60 8.288 1.535 -0.545 1.00 0.00 C ATOM 949 CD LYS A 60 7.276 2.522 -1.131 1.00 0.00 C ATOM 950 CE LYS A 60 7.954 3.876 -1.352 1.00 0.00 C ATOM 951 NZ LYS A 60 8.744 3.709 -2.603 1.00 0.00 N ATOM 0 H LYS A 60 6.869 -0.958 2.177 1.00 0.00 H new ATOM 0 HA LYS A 60 8.474 1.572 2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.046 -0.449 0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.535 0.391 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.039 2.070 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.815 1.018 -1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.884 2.141 -2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.428 2.634 -0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.219 4.674 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.596 4.138 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.731 3.988 -2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.713 2.714 -2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.340 4.308 -3.351 1.00 0.00 H new ATOM 965 N ALA A 61 5.230 1.375 2.321 1.00 0.00 N ATOM 966 CA ALA A 61 4.025 2.196 2.616 1.00 0.00 C ATOM 967 C ALA A 61 4.000 2.531 4.108 1.00 0.00 C ATOM 968 O ALA A 61 3.505 3.566 4.513 1.00 0.00 O ATOM 969 CB ALA A 61 2.838 1.306 2.246 1.00 0.00 C ATOM 0 H ALA A 61 5.080 0.366 2.351 1.00 0.00 H new ATOM 0 HA ALA A 61 4.007 3.137 2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.908 1.842 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.896 1.043 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.863 0.398 2.848 1.00 0.00 H new ATOM 975 N ALA A 62 4.545 1.660 4.926 1.00 0.00 N ATOM 976 CA ALA A 62 4.570 1.922 6.397 1.00 0.00 C ATOM 977 C ALA A 62 5.338 3.212 6.686 1.00 0.00 C ATOM 978 O ALA A 62 4.791 4.145 7.245 1.00 0.00 O ATOM 979 CB ALA A 62 5.288 0.719 7.014 1.00 0.00 C ATOM 0 H ALA A 62 4.973 0.780 4.636 1.00 0.00 H new ATOM 0 HA ALA A 62 3.568 2.045 6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.343 0.844 8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.737 -0.192 6.781 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.296 0.648 6.605 1.00 0.00 H new ATOM 985 N LYS A 63 6.593 3.289 6.302 1.00 0.00 N ATOM 986 CA LYS A 63 7.373 4.543 6.553 1.00 0.00 C ATOM 987 C LYS A 63 6.799 5.707 5.732 1.00 0.00 C ATOM 988 O LYS A 63 7.097 6.858 5.992 1.00 0.00 O ATOM 989 CB LYS A 63 8.803 4.229 6.103 1.00 0.00 C ATOM 990 CG LYS A 63 9.794 5.033 6.947 1.00 0.00 C ATOM 991 CD LYS A 63 11.215 4.535 6.678 1.00 0.00 C ATOM 992 CE LYS A 63 12.201 5.292 7.569 1.00 0.00 C ATOM 993 NZ LYS A 63 12.165 4.578 8.876 1.00 0.00 N ATOM 0 H LYS A 63 7.106 2.544 5.830 1.00 0.00 H new ATOM 0 HA LYS A 63 7.332 4.842 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.002 3.162 6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.925 4.474 5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.717 6.093 6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.555 4.929 8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.279 3.465 6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.470 4.682 5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.204 5.285 7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.910 6.336 7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.912 4.952 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.238 4.722 9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.320 3.561 8.721 1.00 0.00 H new ATOM 1007 N LEU A 64 5.962 5.421 4.759 1.00 0.00 N ATOM 1008 CA LEU A 64 5.356 6.514 3.946 1.00 0.00 C ATOM 1009 C LEU A 64 4.165 7.089 4.711 1.00 0.00 C ATOM 1010 O LEU A 64 3.896 8.274 4.667 1.00 0.00 O ATOM 1011 CB LEU A 64 4.899 5.848 2.644 1.00 0.00 C ATOM 1012 CG LEU A 64 5.846 6.235 1.507 1.00 0.00 C ATOM 1013 CD1 LEU A 64 5.536 5.390 0.271 1.00 0.00 C ATOM 1014 CD2 LEU A 64 5.657 7.717 1.170 1.00 0.00 C ATOM 0 H LEU A 64 5.676 4.477 4.497 1.00 0.00 H new ATOM 0 HA LEU A 64 6.049 7.331 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.883 4.765 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.882 6.157 2.404 1.00 0.00 H new ATOM 0 HG LEU A 64 6.876 6.059 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.212 5.667 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.669 4.335 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.506 5.565 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.331 7.995 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.627 7.891 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.879 8.321 2.050 1.00 0.00 H new ATOM 1026 N LYS A 65 3.468 6.248 5.431 1.00 0.00 N ATOM 1027 CA LYS A 65 2.302 6.725 6.231 1.00 0.00 C ATOM 1028 C LYS A 65 2.810 7.654 7.341 1.00 0.00 C ATOM 1029 O LYS A 65 2.281 8.728 7.556 1.00 0.00 O ATOM 1030 CB LYS A 65 1.671 5.449 6.812 1.00 0.00 C ATOM 1031 CG LYS A 65 0.520 5.813 7.755 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.419 4.614 7.902 1.00 0.00 C ATOM 1033 CE LYS A 65 0.190 3.606 8.880 1.00 0.00 C ATOM 1034 NZ LYS A 65 -0.739 2.443 8.859 1.00 0.00 N ATOM 0 H LYS A 65 3.658 5.248 5.499 1.00 0.00 H new ATOM 0 HA LYS A 65 1.575 7.288 5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.303 4.816 6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.424 4.874 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.912 6.103 8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.027 6.671 7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.393 4.944 8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.580 4.144 6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.195 3.315 8.573 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.273 4.028 9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.389 1.708 9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.686 2.749 9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.792 2.059 7.894 1.00 0.00 H new ATOM 1048 N GLU A 66 3.837 7.240 8.038 1.00 0.00 N ATOM 1049 CA GLU A 66 4.403 8.087 9.136 1.00 0.00 C ATOM 1050 C GLU A 66 4.815 9.460 8.590 1.00 0.00 C ATOM 1051 O GLU A 66 4.723 10.462 9.275 1.00 0.00 O ATOM 1052 CB GLU A 66 5.629 7.324 9.642 1.00 0.00 C ATOM 1053 CG GLU A 66 6.137 7.971 10.933 1.00 0.00 C ATOM 1054 CD GLU A 66 5.346 7.426 12.123 1.00 0.00 C ATOM 1055 OE1 GLU A 66 4.238 7.893 12.337 1.00 0.00 O ATOM 1056 OE2 GLU A 66 5.859 6.551 12.800 1.00 0.00 O ATOM 0 H GLU A 66 4.311 6.348 7.895 1.00 0.00 H new ATOM 0 HA GLU A 66 3.678 8.264 9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.372 6.280 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.414 7.333 8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.199 7.763 11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.029 9.054 10.876 1.00 0.00 H new ATOM 1063 N LYS A 67 5.260 9.510 7.359 1.00 0.00 N ATOM 1064 CA LYS A 67 5.672 10.817 6.756 1.00 0.00 C ATOM 1065 C LYS A 67 4.450 11.723 6.590 1.00 0.00 C ATOM 1066 O LYS A 67 4.548 12.933 6.657 1.00 0.00 O ATOM 1067 CB LYS A 67 6.268 10.463 5.391 1.00 0.00 C ATOM 1068 CG LYS A 67 7.068 11.652 4.859 1.00 0.00 C ATOM 1069 CD LYS A 67 7.259 11.506 3.349 1.00 0.00 C ATOM 1070 CE LYS A 67 8.070 12.691 2.819 1.00 0.00 C ATOM 1071 NZ LYS A 67 9.490 12.343 3.105 1.00 0.00 N ATOM 0 H LYS A 67 5.356 8.702 6.744 1.00 0.00 H new ATOM 0 HA LYS A 67 6.387 11.352 7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.912 9.588 5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.473 10.204 4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.547 12.583 5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.037 11.703 5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.773 10.571 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.290 11.464 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.906 12.836 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.783 13.619 3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.972 13.165 3.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.524 11.546 3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.966 12.074 2.221 1.00 0.00 H new ATOM 1085 N TYR A 68 3.296 11.138 6.388 1.00 0.00 N ATOM 1086 CA TYR A 68 2.047 11.949 6.229 1.00 0.00 C ATOM 1087 C TYR A 68 1.743 12.677 7.540 1.00 0.00 C ATOM 1088 O TYR A 68 1.244 13.785 7.552 1.00 0.00 O ATOM 1089 CB TYR A 68 0.956 10.918 5.924 1.00 0.00 C ATOM 1090 CG TYR A 68 -0.312 11.606 5.476 1.00 0.00 C ATOM 1091 CD1 TYR A 68 -0.281 12.524 4.421 1.00 0.00 C ATOM 1092 CD2 TYR A 68 -1.525 11.311 6.112 1.00 0.00 C ATOM 1093 CE1 TYR A 68 -1.462 13.146 4.000 1.00 0.00 C ATOM 1094 CE2 TYR A 68 -2.705 11.934 5.693 1.00 0.00 C ATOM 1095 CZ TYR A 68 -2.675 12.851 4.636 1.00 0.00 C ATOM 1096 OH TYR A 68 -3.839 13.465 4.221 1.00 0.00 O ATOM 0 H TYR A 68 3.163 10.129 6.326 1.00 0.00 H new ATOM 0 HA TYR A 68 2.126 12.705 5.448 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.300 10.235 5.147 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.757 10.317 6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.654 12.753 3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -1.549 10.602 6.926 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.438 13.854 3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.639 11.708 6.185 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.657 14.008 3.426 1.00 0.00 H new ATOM 1106 N GLU A 69 2.043 12.043 8.641 1.00 0.00 N ATOM 1107 CA GLU A 69 1.779 12.661 9.976 1.00 0.00 C ATOM 1108 C GLU A 69 2.531 13.987 10.117 1.00 0.00 C ATOM 1109 O GLU A 69 1.987 14.963 10.597 1.00 0.00 O ATOM 1110 CB GLU A 69 2.293 11.645 10.999 1.00 0.00 C ATOM 1111 CG GLU A 69 1.506 10.341 10.861 1.00 0.00 C ATOM 1112 CD GLU A 69 1.392 9.666 12.229 1.00 0.00 C ATOM 1113 OE1 GLU A 69 0.866 10.293 13.135 1.00 0.00 O ATOM 1114 OE2 GLU A 69 1.832 8.535 12.349 1.00 0.00 O ATOM 0 H GLU A 69 2.464 11.114 8.675 1.00 0.00 H new ATOM 0 HA GLU A 69 0.721 12.883 10.116 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.355 11.460 10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.185 12.042 12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.513 10.544 10.460 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.005 9.676 10.156 1.00 0.00 H new ATOM 1121 N LYS A 70 3.771 14.033 9.696 1.00 0.00 N ATOM 1122 CA LYS A 70 4.554 15.301 9.802 1.00 0.00 C ATOM 1123 C LYS A 70 4.188 16.212 8.637 1.00 0.00 C ATOM 1124 O LYS A 70 4.047 17.411 8.788 1.00 0.00 O ATOM 1125 CB LYS A 70 6.022 14.880 9.716 1.00 0.00 C ATOM 1126 CG LYS A 70 6.463 14.284 11.054 1.00 0.00 C ATOM 1127 CD LYS A 70 6.112 12.795 11.093 1.00 0.00 C ATOM 1128 CE LYS A 70 6.838 12.129 12.264 1.00 0.00 C ATOM 1129 NZ LYS A 70 5.970 12.384 13.447 1.00 0.00 N ATOM 0 H LYS A 70 4.274 13.247 9.284 1.00 0.00 H new ATOM 0 HA LYS A 70 4.352 15.845 10.725 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.155 14.149 8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.644 15.740 9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.536 14.419 11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.972 14.805 11.876 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.035 12.667 11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.398 12.318 10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.968 11.061 12.092 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.832 12.552 12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.401 11.957 14.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.870 13.409 13.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.032 11.964 13.287 1.00 0.00 H new ATOM 1143 N ASP A 71 4.008 15.640 7.473 1.00 0.00 N ATOM 1144 CA ASP A 71 3.619 16.451 6.281 1.00 0.00 C ATOM 1145 C ASP A 71 2.290 17.151 6.563 1.00 0.00 C ATOM 1146 O ASP A 71 2.169 18.355 6.445 1.00 0.00 O ATOM 1147 CB ASP A 71 3.462 15.438 5.144 1.00 0.00 C ATOM 1148 CG ASP A 71 4.713 15.453 4.263 1.00 0.00 C ATOM 1149 OD1 ASP A 71 5.079 16.524 3.809 1.00 0.00 O ATOM 1150 OD2 ASP A 71 5.282 14.395 4.059 1.00 0.00 O ATOM 0 H ASP A 71 4.115 14.641 7.297 1.00 0.00 H new ATOM 0 HA ASP A 71 4.351 17.220 6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.305 14.440 5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.582 15.680 4.547 1.00 0.00 H new ATOM 1155 N ILE A 72 1.298 16.392 6.946 1.00 0.00 N ATOM 1156 CA ILE A 72 -0.034 16.993 7.253 1.00 0.00 C ATOM 1157 C ILE A 72 0.105 17.978 8.425 1.00 0.00 C ATOM 1158 O ILE A 72 -0.574 18.980 8.480 1.00 0.00 O ATOM 1159 CB ILE A 72 -0.940 15.797 7.608 1.00 0.00 C ATOM 1160 CG1 ILE A 72 -1.295 15.031 6.326 1.00 0.00 C ATOM 1161 CG2 ILE A 72 -2.237 16.266 8.293 1.00 0.00 C ATOM 1162 CD1 ILE A 72 -2.065 15.937 5.350 1.00 0.00 C ATOM 0 H ILE A 72 1.352 15.380 7.060 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.451 17.561 6.421 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.399 15.150 8.299 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.385 14.666 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.898 14.158 6.573 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.856 15.401 8.532 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.991 16.800 9.211 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.783 16.929 7.622 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.308 15.376 4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.985 16.281 5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.448 16.797 5.088 1.00 0.00 H new ATOM 1174 N ALA A 73 0.979 17.692 9.358 1.00 0.00 N ATOM 1175 CA ALA A 73 1.162 18.608 10.531 1.00 0.00 C ATOM 1176 C ALA A 73 1.533 20.021 10.058 1.00 0.00 C ATOM 1177 O ALA A 73 0.965 21.001 10.502 1.00 0.00 O ATOM 1178 CB ALA A 73 2.305 18.000 11.346 1.00 0.00 C ATOM 0 H ALA A 73 1.575 16.864 9.360 1.00 0.00 H new ATOM 0 HA ALA A 73 0.249 18.701 11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.496 18.619 12.223 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.030 16.994 11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.205 17.953 10.732 1.00 0.00 H new ATOM 1184 N ALA A 74 2.482 20.127 9.162 1.00 0.00 N ATOM 1185 CA ALA A 74 2.899 21.473 8.654 1.00 0.00 C ATOM 1186 C ALA A 74 1.755 22.130 7.869 1.00 0.00 C ATOM 1187 O ALA A 74 1.725 23.335 7.698 1.00 0.00 O ATOM 1188 CB ALA A 74 4.092 21.206 7.733 1.00 0.00 C ATOM 0 H ALA A 74 2.988 19.339 8.759 1.00 0.00 H new ATOM 0 HA ALA A 74 3.156 22.151 9.468 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.453 22.149 7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.890 20.729 8.301 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.784 20.550 6.919 1.00 0.00 H new ATOM 1194 N TYR A 75 0.809 21.352 7.409 1.00 0.00 N ATOM 1195 CA TYR A 75 -0.345 21.924 6.655 1.00 0.00 C ATOM 1196 C TYR A 75 -1.610 21.933 7.533 1.00 0.00 C ATOM 1197 O TYR A 75 -2.629 22.483 7.157 1.00 0.00 O ATOM 1198 CB TYR A 75 -0.524 20.994 5.454 1.00 0.00 C ATOM 1199 CG TYR A 75 -1.488 21.618 4.474 1.00 0.00 C ATOM 1200 CD1 TYR A 75 -1.049 22.624 3.605 1.00 0.00 C ATOM 1201 CD2 TYR A 75 -2.822 21.191 4.434 1.00 0.00 C ATOM 1202 CE1 TYR A 75 -1.942 23.203 2.697 1.00 0.00 C ATOM 1203 CE2 TYR A 75 -3.714 21.771 3.525 1.00 0.00 C ATOM 1204 CZ TYR A 75 -3.275 22.777 2.656 1.00 0.00 C ATOM 1205 OH TYR A 75 -4.155 23.349 1.760 1.00 0.00 O ATOM 0 H TYR A 75 0.787 20.339 7.525 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.172 22.956 6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.437 20.816 4.972 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.900 20.025 5.783 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.021 22.953 3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.161 20.415 5.104 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -1.603 23.979 2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.742 21.442 3.494 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.039 22.938 1.862 1.00 0.00 H new ATOM 1215 N ARG A 76 -1.550 21.327 8.698 1.00 0.00 N ATOM 1216 CA ARG A 76 -2.741 21.298 9.599 1.00 0.00 C ATOM 1217 C ARG A 76 -3.038 22.703 10.132 1.00 0.00 C ATOM 1218 O ARG A 76 -4.099 23.251 9.900 1.00 0.00 O ATOM 1219 CB ARG A 76 -2.358 20.360 10.746 1.00 0.00 C ATOM 1220 CG ARG A 76 -3.614 19.665 11.276 1.00 0.00 C ATOM 1221 CD ARG A 76 -3.254 18.827 12.505 1.00 0.00 C ATOM 1222 NE ARG A 76 -3.443 19.744 13.663 1.00 0.00 N ATOM 1223 CZ ARG A 76 -2.414 20.341 14.198 1.00 0.00 C ATOM 1224 NH1 ARG A 76 -1.387 19.641 14.594 1.00 0.00 N ATOM 1225 NH2 ARG A 76 -2.413 21.639 14.337 1.00 0.00 N ATOM 0 H ARG A 76 -0.724 20.851 9.061 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.637 20.958 9.080 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.638 19.619 10.399 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.876 20.923 11.545 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.370 20.406 11.537 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.044 19.029 10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.896 17.950 12.587 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.227 18.466 12.450 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.378 19.905 14.038 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.389 18.627 14.485 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.582 20.108 15.012 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.217 22.186 14.027 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.609 22.106 14.755 1.00 0.00 H new ATOM 1239 N ALA A 77 -2.106 23.286 10.842 1.00 0.00 N ATOM 1240 CA ALA A 77 -2.325 24.657 11.395 1.00 0.00 C ATOM 1241 C ALA A 77 -1.580 25.694 10.549 1.00 0.00 C ATOM 1242 O ALA A 77 -0.527 26.175 10.927 1.00 0.00 O ATOM 1243 CB ALA A 77 -1.754 24.607 12.812 1.00 0.00 C ATOM 0 H ALA A 77 -1.201 22.871 11.063 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.377 24.942 11.390 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.877 25.580 13.288 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.283 23.850 13.391 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.694 24.355 12.769 1.00 0.00 H new ATOM 1249 N LYS A 78 -2.120 26.040 9.408 1.00 0.00 N ATOM 1250 CA LYS A 78 -1.451 27.046 8.531 1.00 0.00 C ATOM 1251 C LYS A 78 -2.466 27.665 7.566 1.00 0.00 C ATOM 1252 O LYS A 78 -3.212 26.914 6.960 1.00 0.00 O ATOM 1253 CB LYS A 78 -0.391 26.259 7.761 1.00 0.00 C ATOM 1254 CG LYS A 78 0.526 27.231 7.016 1.00 0.00 C ATOM 1255 CD LYS A 78 1.820 26.515 6.624 1.00 0.00 C ATOM 1256 CE LYS A 78 2.850 27.542 6.148 1.00 0.00 C ATOM 1257 NZ LYS A 78 4.126 26.782 6.030 1.00 0.00 N ATOM 1258 OXT LYS A 78 -2.480 28.880 7.449 1.00 0.00 O ATOM 0 H LYS A 78 -2.998 25.668 9.046 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.015 27.866 9.102 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.193 25.646 8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.869 25.580 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.024 27.611 6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.751 28.091 7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.212 25.959 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.622 25.790 5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.560 27.978 5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.944 28.364 6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.881 27.420 5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.380 26.385 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.008 26.010 5.343 1.00 0.00 H new TER 1272 LYS A 78