USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 623 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 25 TYR OH : rot -132:sc= -0.208 USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0.0934 USER MOD Set 1.3: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 64 SER OG : rot -178:sc= -4.86! USER MOD Single : A 1 MET CE :methyl -138:sc= -4.58 (180deg=-9.98!) USER MOD Single : A 1 MET N :NH3+ -119:sc= 1 (180deg=-0.451!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.32 K(o=-2.3,f=-17!) USER MOD Single : A 15 ASN : amide:sc= -0.612 X(o=-0.61,f=-1.1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 37 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.82) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -146:sc= -1.4 (180deg=-2.1!) USER MOD Single : A 44 ASN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= -0.0228 (180deg=-0.306) USER MOD Single : A 67 TYR OH : rot -126:sc= 0.395 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -114:sc= -0.0202 (180deg=-2.66!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.519 -10.189 8.537 1.00 0.00 N ATOM 2 CA MET A 1 -11.118 -10.564 8.635 1.00 0.00 C ATOM 3 C MET A 1 -10.501 -10.044 9.934 1.00 0.00 C ATOM 4 O MET A 1 -11.194 -9.454 10.763 1.00 0.00 O ATOM 5 CB MET A 1 -10.352 -9.991 7.440 1.00 0.00 C ATOM 6 CG MET A 1 -10.508 -8.471 7.367 1.00 0.00 C ATOM 7 SD MET A 1 -12.077 -8.052 6.627 1.00 0.00 S ATOM 8 CE MET A 1 -12.132 -6.304 6.984 1.00 0.00 C ATOM 0 H1 MET A 1 -13.105 -11.047 8.490 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.788 -9.631 9.372 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.667 -9.621 7.678 1.00 0.00 H new ATOM 0 HA MET A 1 -11.051 -11.652 8.633 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.296 -10.248 7.523 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.719 -10.443 6.518 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.442 -8.042 8.367 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.695 -8.042 6.782 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.137 -6.030 7.304 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.422 -6.072 7.778 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.871 -5.741 6.088 1.00 0.00 H new ATOM 18 N ASP A 2 -9.205 -10.280 10.073 1.00 0.00 N ATOM 19 CA ASP A 2 -8.486 -9.843 11.257 1.00 0.00 C ATOM 20 C ASP A 2 -7.525 -8.715 10.878 1.00 0.00 C ATOM 21 O ASP A 2 -6.952 -8.722 9.790 1.00 0.00 O ATOM 22 CB ASP A 2 -7.662 -10.985 11.855 1.00 0.00 C ATOM 23 CG ASP A 2 -7.943 -11.284 13.329 1.00 0.00 C ATOM 24 OD1 ASP A 2 -8.558 -10.410 13.977 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.537 -12.379 13.774 1.00 0.00 O ATOM 0 H ASP A 2 -8.634 -10.769 9.384 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.219 -9.505 11.990 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.848 -11.889 11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.604 -10.746 11.744 1.00 0.00 H new ATOM 30 N ILE A 3 -7.378 -7.772 11.797 1.00 0.00 N ATOM 31 CA ILE A 3 -6.496 -6.639 11.573 1.00 0.00 C ATOM 32 C ILE A 3 -5.613 -6.434 12.806 1.00 0.00 C ATOM 33 O ILE A 3 -6.096 -6.487 13.936 1.00 0.00 O ATOM 34 CB ILE A 3 -7.304 -5.400 11.183 1.00 0.00 C ATOM 35 CG1 ILE A 3 -8.092 -5.642 9.894 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.404 -4.167 11.081 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.586 -4.323 9.297 1.00 0.00 C ATOM 0 H ILE A 3 -7.855 -7.769 12.699 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.830 -6.835 10.732 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.030 -5.204 11.972 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.462 -6.159 9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.942 -6.293 10.100 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.004 -3.301 10.802 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.927 -3.984 12.044 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.639 -4.337 10.324 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.143 -4.524 8.382 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.235 -3.820 10.014 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.733 -3.684 9.070 1.00 0.00 H new ATOM 49 N LYS A 4 -4.334 -6.205 12.546 1.00 0.00 N ATOM 50 CA LYS A 4 -3.379 -5.992 13.620 1.00 0.00 C ATOM 51 C LYS A 4 -2.621 -4.686 13.371 1.00 0.00 C ATOM 52 O LYS A 4 -1.818 -4.597 12.444 1.00 0.00 O ATOM 53 CB LYS A 4 -2.468 -7.211 13.776 1.00 0.00 C ATOM 54 CG LYS A 4 -1.513 -7.338 12.587 1.00 0.00 C ATOM 55 CD LYS A 4 -0.995 -8.772 12.450 1.00 0.00 C ATOM 56 CE LYS A 4 0.530 -8.795 12.328 1.00 0.00 C ATOM 57 NZ LYS A 4 0.983 -10.075 11.740 1.00 0.00 N ATOM 0 H LYS A 4 -3.937 -6.162 11.607 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.896 -5.885 14.574 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.895 -7.126 14.699 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.073 -8.114 13.859 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.026 -7.044 11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.673 -6.655 12.716 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.303 -9.358 13.316 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.441 -9.241 11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.864 -7.964 11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.982 -8.659 13.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.020 -10.074 11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.681 -10.863 12.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.567 -10.189 10.794 1.00 0.00 H new ATOM 71 N ILE A 5 -2.904 -3.705 14.216 1.00 0.00 N ATOM 72 CA ILE A 5 -2.260 -2.408 14.100 1.00 0.00 C ATOM 73 C ILE A 5 -0.752 -2.573 14.301 1.00 0.00 C ATOM 74 O ILE A 5 -0.296 -2.838 15.412 1.00 0.00 O ATOM 75 CB ILE A 5 -2.902 -1.403 15.058 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.386 -1.213 14.739 1.00 0.00 C ATOM 77 CG2 ILE A 5 -2.140 -0.076 15.052 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.217 -1.139 16.022 1.00 0.00 C ATOM 0 H ILE A 5 -3.571 -3.783 14.984 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.406 -1.998 13.101 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.839 -1.806 16.069 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.523 -0.300 14.159 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.738 -2.039 14.121 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.617 0.621 15.741 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.110 -0.247 15.364 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.150 0.345 14.046 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.268 -1.004 15.767 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.097 -2.063 16.587 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.879 -0.297 16.626 1.00 0.00 H new ATOM 90 N ILE A 6 -0.020 -2.409 13.209 1.00 0.00 N ATOM 91 CA ILE A 6 1.427 -2.537 13.252 1.00 0.00 C ATOM 92 C ILE A 6 2.020 -1.328 13.979 1.00 0.00 C ATOM 93 O ILE A 6 2.472 -1.444 15.116 1.00 0.00 O ATOM 94 CB ILE A 6 1.988 -2.743 11.843 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.586 -4.111 11.288 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.505 -2.540 11.822 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.547 -5.201 11.766 1.00 0.00 C ATOM 0 H ILE A 6 -0.402 -2.189 12.289 1.00 0.00 H new ATOM 0 HA ILE A 6 1.715 -3.423 13.818 1.00 0.00 H new ATOM 0 HB ILE A 6 1.553 -1.988 11.188 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.571 -4.352 11.604 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.581 -4.078 10.199 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.878 -2.692 10.809 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.741 -1.527 12.147 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.977 -3.256 12.494 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.238 -6.163 11.357 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.557 -4.970 11.427 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.531 -5.248 12.855 1.00 0.00 H new ATOM 109 N LYS A 7 1.998 -0.195 13.292 1.00 0.00 N ATOM 110 CA LYS A 7 2.527 1.034 13.858 1.00 0.00 C ATOM 111 C LYS A 7 1.682 2.216 13.379 1.00 0.00 C ATOM 112 O LYS A 7 1.041 2.142 12.333 1.00 0.00 O ATOM 113 CB LYS A 7 4.017 1.173 13.537 1.00 0.00 C ATOM 114 CG LYS A 7 4.877 0.620 14.676 1.00 0.00 C ATOM 115 CD LYS A 7 6.363 0.673 14.316 1.00 0.00 C ATOM 116 CE LYS A 7 7.159 -0.356 15.121 1.00 0.00 C ATOM 117 NZ LYS A 7 8.049 -1.135 14.231 1.00 0.00 N ATOM 0 H LYS A 7 1.622 -0.103 12.348 1.00 0.00 H new ATOM 0 HA LYS A 7 2.459 1.013 14.946 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.245 0.641 12.613 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.260 2.222 13.369 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.698 1.196 15.584 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.587 -0.409 14.889 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.490 0.483 13.250 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.753 1.672 14.510 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.750 0.149 15.884 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.476 -1.028 15.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.582 -1.829 14.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.478 -1.633 13.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.713 -0.492 13.755 1.00 0.00 H new ATOM 131 N ASP A 8 1.709 3.280 14.169 1.00 0.00 N ATOM 132 CA ASP A 8 0.954 4.476 13.839 1.00 0.00 C ATOM 133 C ASP A 8 1.898 5.679 13.813 1.00 0.00 C ATOM 134 O ASP A 8 2.429 6.079 14.848 1.00 0.00 O ATOM 135 CB ASP A 8 -0.130 4.749 14.885 1.00 0.00 C ATOM 136 CG ASP A 8 -0.585 6.207 14.979 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.745 6.822 13.903 1.00 0.00 O ATOM 138 OD2 ASP A 8 -0.762 6.673 16.125 1.00 0.00 O ATOM 0 H ASP A 8 2.242 3.338 15.037 1.00 0.00 H new ATOM 0 HA ASP A 8 0.487 4.322 12.866 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.996 4.127 14.659 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.241 4.436 15.861 1.00 0.00 H new ATOM 143 N LYS A 9 2.079 6.223 12.618 1.00 0.00 N ATOM 144 CA LYS A 9 2.950 7.372 12.443 1.00 0.00 C ATOM 145 C LYS A 9 2.098 8.631 12.267 1.00 0.00 C ATOM 146 O LYS A 9 1.012 8.574 11.693 1.00 0.00 O ATOM 147 CB LYS A 9 3.933 7.130 11.295 1.00 0.00 C ATOM 148 CG LYS A 9 4.605 8.435 10.864 1.00 0.00 C ATOM 149 CD LYS A 9 6.070 8.201 10.492 1.00 0.00 C ATOM 150 CE LYS A 9 6.606 9.343 9.627 1.00 0.00 C ATOM 151 NZ LYS A 9 7.680 10.072 10.338 1.00 0.00 N ATOM 0 H LYS A 9 1.637 5.889 11.762 1.00 0.00 H new ATOM 0 HA LYS A 9 3.563 7.523 13.331 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.692 6.412 11.606 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.407 6.691 10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.073 8.858 10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.543 9.164 11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.669 8.114 11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.166 7.257 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.989 8.946 8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.796 10.029 9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.033 10.844 9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.304 10.467 11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.459 9.418 10.554 1.00 0.00 H new ATOM 165 N LYS A 10 2.624 9.738 12.771 1.00 0.00 N ATOM 166 CA LYS A 10 1.925 11.008 12.677 1.00 0.00 C ATOM 167 C LYS A 10 2.697 11.942 11.743 1.00 0.00 C ATOM 168 O LYS A 10 3.921 11.865 11.656 1.00 0.00 O ATOM 169 CB LYS A 10 1.685 11.592 14.071 1.00 0.00 C ATOM 170 CG LYS A 10 0.197 11.863 14.303 1.00 0.00 C ATOM 171 CD LYS A 10 -0.003 13.031 15.270 1.00 0.00 C ATOM 172 CE LYS A 10 -1.237 13.853 14.889 1.00 0.00 C ATOM 173 NZ LYS A 10 -1.403 14.997 15.813 1.00 0.00 N ATOM 0 H LYS A 10 3.526 9.781 13.246 1.00 0.00 H new ATOM 0 HA LYS A 10 0.936 10.867 12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.055 10.900 14.828 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.249 12.518 14.183 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.288 12.086 13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.281 10.969 14.703 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.114 12.652 16.286 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.880 13.670 15.262 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.138 14.216 13.866 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.125 13.222 14.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.244 15.544 15.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.519 14.645 16.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.562 15.607 15.764 1.00 0.00 H new ATOM 187 N ASN A 11 1.949 12.803 11.069 1.00 0.00 N ATOM 188 CA ASN A 11 2.548 13.751 10.145 1.00 0.00 C ATOM 189 C ASN A 11 1.744 15.053 10.163 1.00 0.00 C ATOM 190 O ASN A 11 0.727 15.168 9.480 1.00 0.00 O ATOM 191 CB ASN A 11 2.537 13.209 8.715 1.00 0.00 C ATOM 192 CG ASN A 11 3.250 14.167 7.759 1.00 0.00 C ATOM 193 OD1 ASN A 11 3.426 15.343 8.034 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.649 13.601 6.623 1.00 0.00 N ATOM 0 H ASN A 11 0.934 12.864 11.144 1.00 0.00 H new ATOM 0 HA ASN A 11 3.578 13.921 10.458 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.024 12.234 8.688 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.508 13.061 8.387 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.134 14.157 5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.470 12.611 6.456 1.00 0.00 H new ATOM 201 N PRO A 12 2.242 16.025 10.973 1.00 0.00 N ATOM 202 CA PRO A 12 1.580 17.314 11.089 1.00 0.00 C ATOM 203 C PRO A 12 1.830 18.172 9.848 1.00 0.00 C ATOM 204 O PRO A 12 1.107 19.136 9.599 1.00 0.00 O ATOM 205 CB PRO A 12 2.141 17.931 12.360 1.00 0.00 C ATOM 206 CG PRO A 12 3.428 17.177 12.656 1.00 0.00 C ATOM 207 CD PRO A 12 3.443 15.924 11.797 1.00 0.00 C ATOM 0 HA PRO A 12 0.495 17.226 11.150 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.334 18.995 12.225 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.435 17.837 13.185 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.295 17.801 12.436 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.483 16.916 13.713 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.342 15.876 11.182 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.428 15.023 12.410 1.00 0.00 H new ATOM 215 N LEU A 13 2.855 17.791 9.100 1.00 0.00 N ATOM 216 CA LEU A 13 3.209 18.513 7.890 1.00 0.00 C ATOM 217 C LEU A 13 2.077 18.376 6.870 1.00 0.00 C ATOM 218 O LEU A 13 1.462 19.368 6.483 1.00 0.00 O ATOM 219 CB LEU A 13 4.569 18.048 7.367 1.00 0.00 C ATOM 220 CG LEU A 13 5.727 18.102 8.365 1.00 0.00 C ATOM 221 CD1 LEU A 13 6.991 17.473 7.775 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.970 19.535 8.845 1.00 0.00 C ATOM 0 H LEU A 13 3.452 16.991 9.309 1.00 0.00 H new ATOM 0 HA LEU A 13 3.322 19.577 8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.468 17.022 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.832 18.659 6.503 1.00 0.00 H new ATOM 0 HG LEU A 13 5.452 17.511 9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.798 17.525 8.506 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.795 16.431 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.281 18.015 6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.798 19.546 9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.214 20.168 7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.071 19.913 9.332 1.00 0.00 H new ATOM 234 N LEU A 14 1.838 17.138 6.463 1.00 0.00 N ATOM 235 CA LEU A 14 0.791 16.858 5.495 1.00 0.00 C ATOM 236 C LEU A 14 -0.566 16.862 6.202 1.00 0.00 C ATOM 237 O LEU A 14 -1.607 16.959 5.554 1.00 0.00 O ATOM 238 CB LEU A 14 1.089 15.559 4.744 1.00 0.00 C ATOM 239 CG LEU A 14 2.477 15.456 4.107 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.733 14.044 3.576 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.663 16.518 3.022 1.00 0.00 C ATOM 0 H LEU A 14 2.351 16.318 6.786 1.00 0.00 H new ATOM 0 HA LEU A 14 0.757 17.638 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.966 14.726 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.341 15.436 3.961 1.00 0.00 H new ATOM 0 HG LEU A 14 3.222 15.650 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.726 13.998 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.672 13.330 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.984 13.797 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.657 16.422 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.911 16.380 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.553 17.510 3.461 1.00 0.00 H new ATOM 253 N ASN A 15 -0.510 16.755 7.522 1.00 0.00 N ATOM 254 CA ASN A 15 -1.722 16.745 8.323 1.00 0.00 C ATOM 255 C ASN A 15 -2.413 15.388 8.178 1.00 0.00 C ATOM 256 O ASN A 15 -3.634 15.294 8.293 1.00 0.00 O ATOM 257 CB ASN A 15 -2.699 17.826 7.859 1.00 0.00 C ATOM 258 CG ASN A 15 -3.152 18.697 9.032 1.00 0.00 C ATOM 259 OD1 ASN A 15 -2.986 19.906 9.042 1.00 0.00 O ATOM 260 ND2 ASN A 15 -3.731 18.018 10.018 1.00 0.00 N ATOM 0 H ASN A 15 0.355 16.675 8.056 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.442 16.934 9.359 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.224 18.449 7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.566 17.360 7.391 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.067 18.509 10.846 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.839 17.006 9.946 1.00 0.00 H new ATOM 267 N ARG A 16 -1.603 14.370 7.926 1.00 0.00 N ATOM 268 CA ARG A 16 -2.122 13.023 7.764 1.00 0.00 C ATOM 269 C ARG A 16 -1.544 12.098 8.837 1.00 0.00 C ATOM 270 O ARG A 16 -0.803 12.544 9.712 1.00 0.00 O ATOM 271 CB ARG A 16 -1.779 12.464 6.381 1.00 0.00 C ATOM 272 CG ARG A 16 -0.311 12.037 6.311 1.00 0.00 C ATOM 273 CD ARG A 16 0.113 11.769 4.866 1.00 0.00 C ATOM 274 NE ARG A 16 1.516 11.298 4.829 1.00 0.00 N ATOM 275 CZ ARG A 16 2.143 10.890 3.717 1.00 0.00 C ATOM 276 NH1 ARG A 16 1.495 10.892 2.544 1.00 0.00 N ATOM 277 NH2 ARG A 16 3.417 10.480 3.778 1.00 0.00 N ATOM 0 H ARG A 16 -0.591 14.451 7.830 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.206 13.071 7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.421 11.611 6.160 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.979 13.218 5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.319 12.816 6.740 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.161 11.139 6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.542 11.021 4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.010 12.678 4.274 1.00 0.00 H new ATOM 0 HE ARG A 16 2.038 11.283 5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.525 11.204 2.498 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.972 10.582 1.697 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.910 10.478 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.894 10.170 2.932 1.00 0.00 H new ATOM 291 N ARG A 17 -1.906 10.828 8.736 1.00 0.00 N ATOM 292 CA ARG A 17 -1.433 9.837 9.687 1.00 0.00 C ATOM 293 C ARG A 17 -1.190 8.500 8.985 1.00 0.00 C ATOM 294 O ARG A 17 -2.116 7.904 8.438 1.00 0.00 O ATOM 295 CB ARG A 17 -2.443 9.634 10.819 1.00 0.00 C ATOM 296 CG ARG A 17 -1.791 9.865 12.183 1.00 0.00 C ATOM 297 CD ARG A 17 -2.836 10.256 13.231 1.00 0.00 C ATOM 298 NE ARG A 17 -3.000 9.163 14.215 1.00 0.00 N ATOM 299 CZ ARG A 17 -3.602 9.306 15.403 1.00 0.00 C ATOM 300 NH1 ARG A 17 -4.100 10.496 15.763 1.00 0.00 N ATOM 301 NH2 ARG A 17 -3.705 8.258 16.232 1.00 0.00 N ATOM 0 H ARG A 17 -2.522 10.462 8.010 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.498 10.204 10.110 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.280 10.320 10.691 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.849 8.623 10.772 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.273 8.960 12.501 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.040 10.651 12.103 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.529 11.170 13.739 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.789 10.465 12.746 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.632 8.243 13.973 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.021 11.294 15.132 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.558 10.604 16.668 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.325 7.352 15.958 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.163 8.367 17.137 1.00 0.00 H new ATOM 315 N GLU A 18 0.062 8.067 9.022 1.00 0.00 N ATOM 316 CA GLU A 18 0.439 6.812 8.395 1.00 0.00 C ATOM 317 C GLU A 18 0.312 5.661 9.395 1.00 0.00 C ATOM 318 O GLU A 18 1.092 5.566 10.342 1.00 0.00 O ATOM 319 CB GLU A 18 1.857 6.888 7.824 1.00 0.00 C ATOM 320 CG GLU A 18 2.042 8.153 6.984 1.00 0.00 C ATOM 321 CD GLU A 18 1.228 8.076 5.690 1.00 0.00 C ATOM 322 OE1 GLU A 18 1.419 7.081 4.958 1.00 0.00 O ATOM 323 OE2 GLU A 18 0.432 9.013 5.464 1.00 0.00 O ATOM 0 H GLU A 18 0.828 8.563 9.477 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.242 6.624 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.582 6.878 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.054 6.008 7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.733 9.025 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.098 8.285 6.747 1.00 0.00 H new ATOM 330 N LEU A 19 -0.677 4.813 9.150 1.00 0.00 N ATOM 331 CA LEU A 19 -0.916 3.672 10.017 1.00 0.00 C ATOM 332 C LEU A 19 -0.649 2.382 9.240 1.00 0.00 C ATOM 333 O LEU A 19 -1.088 2.237 8.100 1.00 0.00 O ATOM 334 CB LEU A 19 -2.319 3.745 10.624 1.00 0.00 C ATOM 335 CG LEU A 19 -2.770 5.126 11.105 1.00 0.00 C ATOM 336 CD1 LEU A 19 -4.015 5.591 10.346 1.00 0.00 C ATOM 337 CD2 LEU A 19 -2.986 5.135 12.620 1.00 0.00 C ATOM 0 H LEU A 19 -1.322 4.894 8.364 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.227 3.684 10.862 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.034 3.389 9.882 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.365 3.055 11.467 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.975 5.840 10.889 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.315 6.575 10.707 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.792 5.648 9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.827 4.882 10.509 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.306 6.128 12.936 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.753 4.406 12.883 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.053 4.878 13.122 1.00 0.00 H new ATOM 349 N ASP A 20 0.069 1.476 9.887 1.00 0.00 N ATOM 350 CA ASP A 20 0.400 0.203 9.271 1.00 0.00 C ATOM 351 C ASP A 20 -0.297 -0.925 10.034 1.00 0.00 C ATOM 352 O ASP A 20 -0.377 -0.892 11.261 1.00 0.00 O ATOM 353 CB ASP A 20 1.907 -0.057 9.317 1.00 0.00 C ATOM 354 CG ASP A 20 2.774 1.061 8.733 1.00 0.00 C ATOM 355 OD1 ASP A 20 2.178 2.032 8.219 1.00 0.00 O ATOM 356 OD2 ASP A 20 4.014 0.918 8.814 1.00 0.00 O ATOM 0 H ASP A 20 0.431 1.599 10.833 1.00 0.00 H new ATOM 0 HA ASP A 20 0.071 0.237 8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.201 -0.220 10.354 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.118 -0.980 8.777 1.00 0.00 H new ATOM 361 N PHE A 21 -0.785 -1.896 9.276 1.00 0.00 N ATOM 362 CA PHE A 21 -1.473 -3.032 9.865 1.00 0.00 C ATOM 363 C PHE A 21 -1.473 -4.228 8.912 1.00 0.00 C ATOM 364 O PHE A 21 -1.268 -4.068 7.710 1.00 0.00 O ATOM 365 CB PHE A 21 -2.918 -2.597 10.119 1.00 0.00 C ATOM 366 CG PHE A 21 -3.673 -2.180 8.855 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.522 -0.924 8.355 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.495 -3.066 8.231 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.223 -0.538 7.182 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.196 -2.679 7.058 1.00 0.00 C ATOM 371 CZ PHE A 21 -5.045 -1.423 6.558 1.00 0.00 C ATOM 0 H PHE A 21 -0.717 -1.919 8.259 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.971 -3.335 10.784 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.455 -3.416 10.597 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.918 -1.764 10.821 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.869 -0.220 8.850 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.615 -4.063 8.627 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.103 0.459 6.785 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.849 -3.382 6.563 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.578 -1.129 5.666 1.00 0.00 H new ATOM 381 N ILE A 22 -1.704 -5.400 9.484 1.00 0.00 N ATOM 382 CA ILE A 22 -1.733 -6.623 8.701 1.00 0.00 C ATOM 383 C ILE A 22 -3.152 -7.196 8.709 1.00 0.00 C ATOM 384 O ILE A 22 -3.782 -7.288 9.762 1.00 0.00 O ATOM 385 CB ILE A 22 -0.671 -7.605 9.200 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.721 -6.969 9.169 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.720 -8.914 8.410 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.190 -6.745 7.730 1.00 0.00 C ATOM 0 H ILE A 22 -1.873 -5.529 10.482 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.478 -6.415 7.662 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.892 -7.848 10.239 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.702 -6.018 9.701 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.430 -7.612 9.690 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.045 -9.594 8.785 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.702 -9.373 8.526 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.538 -8.709 7.355 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.181 -6.292 7.737 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.231 -7.701 7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.492 -6.082 7.219 1.00 0.00 H new ATOM 400 N VAL A 23 -3.614 -7.567 7.524 1.00 0.00 N ATOM 401 CA VAL A 23 -4.946 -8.128 7.382 1.00 0.00 C ATOM 402 C VAL A 23 -4.841 -9.645 7.213 1.00 0.00 C ATOM 403 O VAL A 23 -4.120 -10.127 6.341 1.00 0.00 O ATOM 404 CB VAL A 23 -5.680 -7.447 6.224 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.181 -7.738 6.280 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.413 -5.941 6.216 1.00 0.00 C ATOM 0 H VAL A 23 -3.089 -7.490 6.653 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.536 -7.941 8.279 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.293 -7.860 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.679 -7.243 5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.346 -8.813 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.589 -7.365 7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.946 -5.481 5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.759 -5.505 7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.344 -5.762 6.105 1.00 0.00 H new ATOM 416 N LYS A 24 -5.569 -10.355 8.062 1.00 0.00 N ATOM 417 CA LYS A 24 -5.567 -11.807 8.018 1.00 0.00 C ATOM 418 C LYS A 24 -7.008 -12.312 7.920 1.00 0.00 C ATOM 419 O LYS A 24 -7.924 -11.695 8.460 1.00 0.00 O ATOM 420 CB LYS A 24 -4.795 -12.378 9.209 1.00 0.00 C ATOM 421 CG LYS A 24 -3.325 -12.606 8.851 1.00 0.00 C ATOM 422 CD LYS A 24 -2.475 -12.781 10.111 1.00 0.00 C ATOM 423 CE LYS A 24 -1.116 -13.399 9.774 1.00 0.00 C ATOM 424 NZ LYS A 24 -1.090 -14.830 10.149 1.00 0.00 N ATOM 0 H LYS A 24 -6.165 -9.951 8.785 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.044 -12.160 7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.865 -11.694 10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.247 -13.319 9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.233 -13.490 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.953 -11.761 8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.329 -11.814 10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.001 -13.416 10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.916 -13.293 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.326 -12.864 10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.161 -15.234 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.260 -14.924 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.831 -15.339 9.627 1.00 0.00 H new ATOM 438 N TYR A 25 -7.163 -13.430 7.226 1.00 0.00 N ATOM 439 CA TYR A 25 -8.476 -14.026 7.050 1.00 0.00 C ATOM 440 C TYR A 25 -8.362 -15.496 6.641 1.00 0.00 C ATOM 441 O TYR A 25 -7.282 -15.961 6.280 1.00 0.00 O ATOM 442 CB TYR A 25 -9.145 -13.245 5.916 1.00 0.00 C ATOM 443 CG TYR A 25 -8.249 -13.031 4.695 1.00 0.00 C ATOM 444 CD1 TYR A 25 -7.262 -12.067 4.723 1.00 0.00 C ATOM 445 CD2 TYR A 25 -8.427 -13.803 3.565 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.419 -11.866 3.574 1.00 0.00 C ATOM 447 CE2 TYR A 25 -7.584 -13.601 2.415 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.621 -12.643 2.476 1.00 0.00 C ATOM 449 OH TYR A 25 -5.825 -12.453 1.390 1.00 0.00 O ATOM 0 H TYR A 25 -6.400 -13.939 6.779 1.00 0.00 H new ATOM 0 HA TYR A 25 -9.043 -13.984 7.980 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.045 -13.775 5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.463 -12.274 6.296 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.122 -11.463 5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.198 -14.559 3.543 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.643 -11.115 3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.714 -14.197 1.524 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.380 -12.390 0.585 1.00 0.00 H new ATOM 459 N GLU A 26 -9.490 -16.186 6.713 1.00 0.00 N ATOM 460 CA GLU A 26 -9.530 -17.594 6.355 1.00 0.00 C ATOM 461 C GLU A 26 -10.628 -17.848 5.320 1.00 0.00 C ATOM 462 O GLU A 26 -11.341 -18.847 5.399 1.00 0.00 O ATOM 463 CB GLU A 26 -9.731 -18.469 7.594 1.00 0.00 C ATOM 464 CG GLU A 26 -8.388 -18.869 8.207 1.00 0.00 C ATOM 465 CD GLU A 26 -8.588 -19.615 9.528 1.00 0.00 C ATOM 466 OE1 GLU A 26 -9.528 -19.233 10.258 1.00 0.00 O ATOM 467 OE2 GLU A 26 -7.797 -20.550 9.777 1.00 0.00 O ATOM 0 H GLU A 26 -10.384 -15.797 7.014 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.571 -17.864 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.325 -17.930 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.293 -19.364 7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.839 -19.500 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.782 -17.979 8.376 1.00 0.00 H new ATOM 474 N GLY A 27 -10.730 -16.926 4.374 1.00 0.00 N ATOM 475 CA GLY A 27 -11.729 -17.038 3.325 1.00 0.00 C ATOM 476 C GLY A 27 -11.343 -16.193 2.108 1.00 0.00 C ATOM 477 O GLY A 27 -10.164 -16.081 1.775 1.00 0.00 O ATOM 0 H GLY A 27 -10.137 -16.098 4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.835 -18.082 3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.698 -16.714 3.705 1.00 0.00 H new ATOM 481 N SER A 28 -12.359 -15.622 1.478 1.00 0.00 N ATOM 482 CA SER A 28 -12.140 -14.792 0.306 1.00 0.00 C ATOM 483 C SER A 28 -11.376 -13.525 0.697 1.00 0.00 C ATOM 484 O SER A 28 -11.397 -13.117 1.857 1.00 0.00 O ATOM 485 CB SER A 28 -13.466 -14.426 -0.364 1.00 0.00 C ATOM 486 OG SER A 28 -13.673 -15.155 -1.571 1.00 0.00 O ATOM 0 H SER A 28 -13.335 -15.718 1.757 1.00 0.00 H new ATOM 0 HA SER A 28 -11.546 -15.360 -0.410 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.287 -14.624 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.481 -13.357 -0.579 1.00 0.00 H new ATOM 0 HG SER A 28 -14.531 -14.895 -1.968 1.00 0.00 H new ATOM 492 N THR A 29 -10.720 -12.939 -0.294 1.00 0.00 N ATOM 493 CA THR A 29 -9.951 -11.727 -0.068 1.00 0.00 C ATOM 494 C THR A 29 -10.882 -10.554 0.240 1.00 0.00 C ATOM 495 O THR A 29 -11.800 -10.267 -0.527 1.00 0.00 O ATOM 496 CB THR A 29 -9.065 -11.494 -1.294 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.908 -12.287 -1.042 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.528 -10.063 -1.365 1.00 0.00 C ATOM 0 H THR A 29 -10.705 -13.281 -1.255 1.00 0.00 H new ATOM 0 HA THR A 29 -9.305 -11.826 0.804 1.00 0.00 H new ATOM 0 HB THR A 29 -9.632 -11.714 -2.199 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.280 -12.196 -1.789 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.906 -9.951 -2.253 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.362 -9.363 -1.416 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.933 -9.853 -0.476 1.00 0.00 H new ATOM 506 N PRO A 30 -10.607 -9.889 1.395 1.00 0.00 N ATOM 507 CA PRO A 30 -11.410 -8.753 1.814 1.00 0.00 C ATOM 508 C PRO A 30 -11.082 -7.512 0.981 1.00 0.00 C ATOM 509 O PRO A 30 -9.939 -7.323 0.566 1.00 0.00 O ATOM 510 CB PRO A 30 -11.099 -8.576 3.291 1.00 0.00 C ATOM 511 CG PRO A 30 -9.794 -9.316 3.534 1.00 0.00 C ATOM 512 CD PRO A 30 -9.528 -10.201 2.327 1.00 0.00 C ATOM 0 HA PRO A 30 -12.477 -8.913 1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.003 -7.521 3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.899 -8.982 3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.976 -8.610 3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.859 -9.917 4.441 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.553 -9.990 1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.533 -11.256 2.600 1.00 0.00 H new ATOM 520 N SER A 31 -12.104 -6.700 0.760 1.00 0.00 N ATOM 521 CA SER A 31 -11.939 -5.483 -0.016 1.00 0.00 C ATOM 522 C SER A 31 -11.338 -4.381 0.859 1.00 0.00 C ATOM 523 O SER A 31 -11.252 -4.529 2.077 1.00 0.00 O ATOM 524 CB SER A 31 -13.273 -5.021 -0.608 1.00 0.00 C ATOM 525 OG SER A 31 -13.911 -6.054 -1.354 1.00 0.00 O ATOM 0 H SER A 31 -13.050 -6.861 1.105 1.00 0.00 H new ATOM 0 HA SER A 31 -11.259 -5.694 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.933 -4.694 0.196 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.104 -4.159 -1.253 1.00 0.00 H new ATOM 0 HG SER A 31 -14.760 -5.721 -1.714 1.00 0.00 H new ATOM 531 N ARG A 32 -10.936 -3.302 0.204 1.00 0.00 N ATOM 532 CA ARG A 32 -10.345 -2.176 0.908 1.00 0.00 C ATOM 533 C ARG A 32 -11.395 -1.487 1.782 1.00 0.00 C ATOM 534 O ARG A 32 -11.076 -0.978 2.856 1.00 0.00 O ATOM 535 CB ARG A 32 -9.761 -1.158 -0.074 1.00 0.00 C ATOM 536 CG ARG A 32 -8.380 -1.599 -0.564 1.00 0.00 C ATOM 537 CD ARG A 32 -8.190 -1.263 -2.044 1.00 0.00 C ATOM 538 NE ARG A 32 -7.561 0.070 -2.183 1.00 0.00 N ATOM 539 CZ ARG A 32 -7.520 0.765 -3.328 1.00 0.00 C ATOM 540 NH1 ARG A 32 -8.071 0.259 -4.440 1.00 0.00 N ATOM 541 NH2 ARG A 32 -6.929 1.967 -3.361 1.00 0.00 N ATOM 0 H ARG A 32 -11.008 -3.183 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.541 -2.561 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.432 -1.041 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.686 -0.184 0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.607 -1.107 0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.262 -2.672 -0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.567 -2.020 -2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.153 -1.275 -2.555 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.132 0.485 -1.356 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.522 -0.656 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.039 0.789 -5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.510 2.353 -2.515 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.898 2.496 -4.232 1.00 0.00 H new ATOM 555 N ASN A 33 -12.625 -1.492 1.290 1.00 0.00 N ATOM 556 CA ASN A 33 -13.723 -0.873 2.013 1.00 0.00 C ATOM 557 C ASN A 33 -13.988 -1.659 3.298 1.00 0.00 C ATOM 558 O ASN A 33 -14.214 -1.070 4.355 1.00 0.00 O ATOM 559 CB ASN A 33 -15.006 -0.882 1.180 1.00 0.00 C ATOM 560 CG ASN A 33 -15.182 0.440 0.430 1.00 0.00 C ATOM 561 OD1 ASN A 33 -15.249 1.510 1.012 1.00 0.00 O ATOM 562 ND2 ASN A 33 -15.255 0.307 -0.892 1.00 0.00 N ATOM 0 H ASN A 33 -12.886 -1.915 0.399 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.444 0.157 2.233 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.976 -1.707 0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.864 -1.053 1.830 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.374 1.131 -1.482 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.192 -0.619 -1.316 1.00 0.00 H new ATOM 569 N ASP A 34 -13.952 -2.976 3.167 1.00 0.00 N ATOM 570 CA ASP A 34 -14.186 -3.849 4.305 1.00 0.00 C ATOM 571 C ASP A 34 -13.088 -3.627 5.346 1.00 0.00 C ATOM 572 O ASP A 34 -13.376 -3.418 6.523 1.00 0.00 O ATOM 573 CB ASP A 34 -14.151 -5.320 3.887 1.00 0.00 C ATOM 574 CG ASP A 34 -15.473 -6.072 4.056 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.482 -5.576 3.510 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.445 -7.126 4.728 1.00 0.00 O ATOM 0 H ASP A 34 -13.764 -3.461 2.289 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.169 -3.614 4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.849 -5.378 2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.383 -5.830 4.470 1.00 0.00 H new ATOM 581 N VAL A 35 -11.850 -3.681 4.875 1.00 0.00 N ATOM 582 CA VAL A 35 -10.707 -3.488 5.751 1.00 0.00 C ATOM 583 C VAL A 35 -10.736 -2.066 6.315 1.00 0.00 C ATOM 584 O VAL A 35 -10.346 -1.840 7.459 1.00 0.00 O ATOM 585 CB VAL A 35 -9.413 -3.808 5.000 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.188 -3.385 5.814 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.343 -5.292 4.634 1.00 0.00 C ATOM 0 H VAL A 35 -11.614 -3.856 3.898 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.754 -4.173 6.597 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.414 -3.235 4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.281 -3.624 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.228 -2.312 6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.181 -3.918 6.765 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.413 -5.492 4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.377 -5.893 5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.189 -5.550 3.997 1.00 0.00 H new ATOM 597 N ARG A 36 -11.201 -1.144 5.485 1.00 0.00 N ATOM 598 CA ARG A 36 -11.285 0.250 5.886 1.00 0.00 C ATOM 599 C ARG A 36 -12.296 0.415 7.023 1.00 0.00 C ATOM 600 O ARG A 36 -11.975 0.982 8.066 1.00 0.00 O ATOM 601 CB ARG A 36 -11.701 1.137 4.711 1.00 0.00 C ATOM 602 CG ARG A 36 -10.483 1.810 4.074 1.00 0.00 C ATOM 603 CD ARG A 36 -10.878 3.116 3.381 1.00 0.00 C ATOM 604 NE ARG A 36 -10.135 3.258 2.108 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.446 2.606 0.980 1.00 0.00 C ATOM 606 NH1 ARG A 36 -11.487 1.762 0.959 1.00 0.00 N ATOM 607 NH2 ARG A 36 -9.716 2.796 -0.127 1.00 0.00 N ATOM 0 H ARG A 36 -11.524 -1.335 4.536 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.296 0.557 6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.222 0.537 3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.403 1.897 5.055 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.733 2.012 4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.026 1.134 3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.951 3.125 3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.664 3.963 4.033 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.336 3.892 2.089 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.042 1.616 1.802 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.724 1.266 0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.923 3.437 -0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.953 2.299 -0.986 1.00 0.00 H new ATOM 621 N ASN A 37 -13.496 -0.091 6.782 1.00 0.00 N ATOM 622 CA ASN A 37 -14.556 -0.007 7.773 1.00 0.00 C ATOM 623 C ASN A 37 -14.073 -0.632 9.084 1.00 0.00 C ATOM 624 O ASN A 37 -14.583 -0.307 10.155 1.00 0.00 O ATOM 625 CB ASN A 37 -15.800 -0.772 7.316 1.00 0.00 C ATOM 626 CG ASN A 37 -16.863 0.186 6.774 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.190 1.196 7.375 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.383 -0.187 5.608 1.00 0.00 N ATOM 0 H ASN A 37 -13.758 -0.561 5.915 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.808 1.045 7.908 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.526 -1.491 6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.209 -1.341 8.151 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.101 0.385 5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.064 -1.045 5.158 1.00 0.00 H new ATOM 635 N LYS A 38 -13.095 -1.516 8.956 1.00 0.00 N ATOM 636 CA LYS A 38 -12.538 -2.189 10.117 1.00 0.00 C ATOM 637 C LYS A 38 -11.608 -1.227 10.861 1.00 0.00 C ATOM 638 O LYS A 38 -11.732 -1.051 12.072 1.00 0.00 O ATOM 639 CB LYS A 38 -11.865 -3.500 9.706 1.00 0.00 C ATOM 640 CG LYS A 38 -11.956 -4.539 10.825 1.00 0.00 C ATOM 641 CD LYS A 38 -12.413 -5.893 10.280 1.00 0.00 C ATOM 642 CE LYS A 38 -13.017 -6.756 11.390 1.00 0.00 C ATOM 643 NZ LYS A 38 -14.425 -6.372 11.636 1.00 0.00 N ATOM 0 H LYS A 38 -12.674 -1.782 8.066 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.330 -2.469 10.811 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.339 -3.889 8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.819 -3.315 9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.984 -4.646 11.307 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.654 -4.196 11.589 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.150 -5.741 9.491 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.567 -6.412 9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.964 -7.808 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.437 -6.640 12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.820 -6.967 12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.467 -5.373 11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.978 -6.505 10.766 1.00 0.00 H new ATOM 657 N LEU A 39 -10.698 -0.631 10.105 1.00 0.00 N ATOM 658 CA LEU A 39 -9.748 0.308 10.677 1.00 0.00 C ATOM 659 C LEU A 39 -10.503 1.523 11.220 1.00 0.00 C ATOM 660 O LEU A 39 -10.336 1.893 12.381 1.00 0.00 O ATOM 661 CB LEU A 39 -8.665 0.663 9.656 1.00 0.00 C ATOM 662 CG LEU A 39 -7.220 0.446 10.110 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.694 -0.911 9.638 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.323 1.599 9.652 1.00 0.00 C ATOM 0 H LEU A 39 -10.598 -0.780 9.101 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.224 -0.145 11.519 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.835 0.073 8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.784 1.710 9.378 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.202 0.436 11.200 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.665 -1.039 9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.313 -1.706 10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.728 -0.956 8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.301 1.421 9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.342 1.664 8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.687 2.534 10.078 1.00 0.00 H new ATOM 676 N ALA A 40 -11.317 2.109 10.355 1.00 0.00 N ATOM 677 CA ALA A 40 -12.098 3.275 10.733 1.00 0.00 C ATOM 678 C ALA A 40 -12.803 3.001 12.063 1.00 0.00 C ATOM 679 O ALA A 40 -12.943 3.899 12.892 1.00 0.00 O ATOM 680 CB ALA A 40 -13.081 3.617 9.612 1.00 0.00 C ATOM 0 H ALA A 40 -11.453 1.798 9.393 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.451 4.141 10.874 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.667 4.491 9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.529 3.831 8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.749 2.772 9.443 1.00 0.00 H new ATOM 686 N ALA A 41 -13.228 1.756 12.226 1.00 0.00 N ATOM 687 CA ALA A 41 -13.915 1.353 13.441 1.00 0.00 C ATOM 688 C ALA A 41 -12.898 1.217 14.576 1.00 0.00 C ATOM 689 O ALA A 41 -13.190 1.559 15.721 1.00 0.00 O ATOM 690 CB ALA A 41 -14.682 0.054 13.187 1.00 0.00 C ATOM 0 H ALA A 41 -13.110 1.014 11.537 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.642 2.108 13.739 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.197 -0.248 14.099 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.412 0.212 12.393 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.984 -0.728 12.888 1.00 0.00 H new ATOM 696 N MET A 42 -11.724 0.718 14.218 1.00 0.00 N ATOM 697 CA MET A 42 -10.661 0.533 15.193 1.00 0.00 C ATOM 698 C MET A 42 -10.145 1.880 15.704 1.00 0.00 C ATOM 699 O MET A 42 -9.992 2.073 16.909 1.00 0.00 O ATOM 700 CB MET A 42 -9.510 -0.245 14.552 1.00 0.00 C ATOM 701 CG MET A 42 -9.824 -1.741 14.495 1.00 0.00 C ATOM 702 SD MET A 42 -8.560 -2.663 15.355 1.00 0.00 S ATOM 703 CE MET A 42 -7.674 -3.345 13.964 1.00 0.00 C ATOM 0 H MET A 42 -11.485 0.436 13.267 1.00 0.00 H new ATOM 0 HA MET A 42 -11.062 -0.026 16.039 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.329 0.131 13.545 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.595 -0.083 15.122 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.797 -1.934 14.946 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.883 -2.069 13.457 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.298 -4.335 14.222 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.345 -3.424 13.108 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.838 -2.694 13.711 1.00 0.00 H new ATOM 713 N LEU A 43 -9.892 2.776 14.762 1.00 0.00 N ATOM 714 CA LEU A 43 -9.396 4.099 15.102 1.00 0.00 C ATOM 715 C LEU A 43 -10.580 5.050 15.287 1.00 0.00 C ATOM 716 O LEU A 43 -10.392 6.243 15.524 1.00 0.00 O ATOM 717 CB LEU A 43 -8.382 4.575 14.060 1.00 0.00 C ATOM 718 CG LEU A 43 -7.765 3.488 13.178 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.625 4.052 12.328 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.316 2.291 14.018 1.00 0.00 C ATOM 0 H LEU A 43 -10.021 2.612 13.764 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.857 4.072 16.049 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.870 5.305 13.414 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.576 5.096 14.578 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.531 3.130 12.490 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.204 3.258 11.711 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.008 4.846 11.687 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.850 4.454 12.980 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.881 1.532 13.367 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.572 2.616 14.745 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.175 1.871 14.541 1.00 0.00 H new ATOM 732 N ASN A 44 -11.774 4.487 15.173 1.00 0.00 N ATOM 733 CA ASN A 44 -12.988 5.270 15.325 1.00 0.00 C ATOM 734 C ASN A 44 -12.851 6.574 14.537 1.00 0.00 C ATOM 735 O ASN A 44 -13.289 7.629 14.993 1.00 0.00 O ATOM 736 CB ASN A 44 -13.233 5.628 16.792 1.00 0.00 C ATOM 737 CG ASN A 44 -13.093 4.396 17.688 1.00 0.00 C ATOM 738 OD1 ASN A 44 -14.054 3.717 18.009 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.844 4.146 18.073 1.00 0.00 N ATOM 0 H ASN A 44 -11.926 3.498 14.977 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.822 4.673 14.955 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.523 6.393 17.107 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -14.231 6.053 16.905 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.646 3.345 18.673 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.085 4.755 17.768 1.00 0.00 H new ATOM 746 N ALA A 45 -12.242 6.459 13.366 1.00 0.00 N ATOM 747 CA ALA A 45 -12.041 7.616 12.510 1.00 0.00 C ATOM 748 C ALA A 45 -12.991 7.530 11.313 1.00 0.00 C ATOM 749 O ALA A 45 -13.537 6.466 11.025 1.00 0.00 O ATOM 750 CB ALA A 45 -10.573 7.689 12.085 1.00 0.00 C ATOM 0 H ALA A 45 -11.881 5.582 12.990 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.270 8.536 13.048 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.423 8.557 11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.942 7.778 12.969 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.307 6.784 11.539 1.00 0.00 H new ATOM 756 N PRO A 46 -13.163 8.694 10.631 1.00 0.00 N ATOM 757 CA PRO A 46 -14.037 8.760 9.472 1.00 0.00 C ATOM 758 C PRO A 46 -13.384 8.103 8.255 1.00 0.00 C ATOM 759 O PRO A 46 -12.259 8.443 7.890 1.00 0.00 O ATOM 760 CB PRO A 46 -14.313 10.241 9.271 1.00 0.00 C ATOM 761 CG PRO A 46 -13.220 10.975 10.031 1.00 0.00 C ATOM 762 CD PRO A 46 -12.533 9.973 10.944 1.00 0.00 C ATOM 0 HA PRO A 46 -14.968 8.211 9.615 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.295 10.502 8.213 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.299 10.509 9.649 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.502 11.414 9.338 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.644 11.794 10.613 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.459 9.941 10.760 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.669 10.235 11.993 1.00 0.00 H new ATOM 770 N LEU A 47 -14.117 7.174 7.659 1.00 0.00 N ATOM 771 CA LEU A 47 -13.623 6.466 6.490 1.00 0.00 C ATOM 772 C LEU A 47 -13.170 7.481 5.438 1.00 0.00 C ATOM 773 O LEU A 47 -12.076 7.365 4.888 1.00 0.00 O ATOM 774 CB LEU A 47 -14.673 5.478 5.978 1.00 0.00 C ATOM 775 CG LEU A 47 -14.150 4.104 5.554 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.544 3.030 6.569 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.615 3.754 4.139 1.00 0.00 C ATOM 0 H LEU A 47 -15.050 6.895 7.964 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.752 5.864 6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.420 5.335 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.183 5.929 5.127 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.061 4.144 5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.160 2.063 6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.123 3.278 7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.630 2.982 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.230 2.773 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.704 3.738 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.242 4.501 3.438 1.00 0.00 H new ATOM 789 N GLU A 48 -14.035 8.454 5.190 1.00 0.00 N ATOM 790 CA GLU A 48 -13.738 9.489 4.214 1.00 0.00 C ATOM 791 C GLU A 48 -12.317 10.019 4.419 1.00 0.00 C ATOM 792 O GLU A 48 -11.557 10.152 3.461 1.00 0.00 O ATOM 793 CB GLU A 48 -14.762 10.623 4.288 1.00 0.00 C ATOM 794 CG GLU A 48 -14.885 11.158 5.716 1.00 0.00 C ATOM 795 CD GLU A 48 -15.977 12.226 5.809 1.00 0.00 C ATOM 796 OE1 GLU A 48 -15.969 13.123 4.939 1.00 0.00 O ATOM 797 OE2 GLU A 48 -16.795 12.121 6.749 1.00 0.00 O ATOM 0 H GLU A 48 -14.942 8.547 5.648 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.802 9.051 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.466 11.430 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.733 10.264 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.114 10.338 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.931 11.579 6.034 1.00 0.00 H new ATOM 804 N LEU A 49 -12.002 10.306 5.673 1.00 0.00 N ATOM 805 CA LEU A 49 -10.686 10.819 6.015 1.00 0.00 C ATOM 806 C LEU A 49 -9.660 9.688 5.911 1.00 0.00 C ATOM 807 O LEU A 49 -8.474 9.938 5.701 1.00 0.00 O ATOM 808 CB LEU A 49 -10.715 11.499 7.385 1.00 0.00 C ATOM 809 CG LEU A 49 -11.597 12.743 7.498 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.374 13.455 8.834 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.380 13.679 6.307 1.00 0.00 C ATOM 0 H LEU A 49 -12.635 10.193 6.465 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.383 11.591 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.052 10.771 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.695 11.776 7.653 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.639 12.425 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.014 14.336 8.888 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.619 12.778 9.652 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.330 13.759 8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.019 14.556 6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.336 13.992 6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.630 13.157 5.383 1.00 0.00 H new ATOM 823 N LEU A 50 -10.154 8.468 6.065 1.00 0.00 N ATOM 824 CA LEU A 50 -9.295 7.298 5.991 1.00 0.00 C ATOM 825 C LEU A 50 -9.084 6.918 4.524 1.00 0.00 C ATOM 826 O LEU A 50 -10.024 6.942 3.731 1.00 0.00 O ATOM 827 CB LEU A 50 -9.862 6.163 6.845 1.00 0.00 C ATOM 828 CG LEU A 50 -8.839 5.334 7.624 1.00 0.00 C ATOM 829 CD1 LEU A 50 -8.762 5.787 9.083 1.00 0.00 C ATOM 830 CD2 LEU A 50 -9.138 3.838 7.502 1.00 0.00 C ATOM 0 H LEU A 50 -11.138 8.264 6.241 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.312 7.519 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.571 6.589 7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.425 5.492 6.195 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.856 5.502 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.028 5.181 9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.465 6.835 9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.738 5.668 9.553 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.396 3.272 8.065 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.131 3.632 7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.100 3.544 6.453 1.00 0.00 H new ATOM 842 N VAL A 51 -7.844 6.575 4.208 1.00 0.00 N ATOM 843 CA VAL A 51 -7.497 6.190 2.850 1.00 0.00 C ATOM 844 C VAL A 51 -6.545 4.993 2.891 1.00 0.00 C ATOM 845 O VAL A 51 -5.892 4.750 3.905 1.00 0.00 O ATOM 846 CB VAL A 51 -6.918 7.390 2.098 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.073 7.216 0.585 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.562 8.695 2.568 1.00 0.00 C ATOM 0 H VAL A 51 -7.067 6.556 4.869 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.386 5.879 2.302 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.853 7.443 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.653 8.083 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.546 6.317 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.130 7.125 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.132 9.532 2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.636 8.656 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.377 8.829 3.634 1.00 0.00 H new ATOM 858 N ILE A 52 -6.495 4.279 1.777 1.00 0.00 N ATOM 859 CA ILE A 52 -5.633 3.113 1.673 1.00 0.00 C ATOM 860 C ILE A 52 -4.617 3.334 0.551 1.00 0.00 C ATOM 861 O ILE A 52 -4.993 3.632 -0.582 1.00 0.00 O ATOM 862 CB ILE A 52 -6.469 1.842 1.506 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.584 1.777 2.551 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.582 0.596 1.534 1.00 0.00 C ATOM 865 CD1 ILE A 52 -7.109 1.057 3.815 1.00 0.00 C ATOM 0 H ILE A 52 -7.037 4.485 0.938 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.066 2.974 2.594 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.948 1.874 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.910 2.786 2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.447 1.258 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.200 -0.294 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.857 0.647 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.056 0.545 2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.921 1.024 4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.807 0.041 3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.261 1.592 4.242 1.00 0.00 H new ATOM 877 N GLN A 53 -3.350 3.180 0.905 1.00 0.00 N ATOM 878 CA GLN A 53 -2.277 3.358 -0.059 1.00 0.00 C ATOM 879 C GLN A 53 -2.310 2.241 -1.103 1.00 0.00 C ATOM 880 O GLN A 53 -2.559 2.494 -2.281 1.00 0.00 O ATOM 881 CB GLN A 53 -0.917 3.416 0.640 1.00 0.00 C ATOM 882 CG GLN A 53 0.222 3.461 -0.381 1.00 0.00 C ATOM 883 CD GLN A 53 1.568 3.172 0.287 1.00 0.00 C ATOM 884 OE1 GLN A 53 2.165 2.122 0.111 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.011 4.158 1.061 1.00 0.00 N ATOM 0 H GLN A 53 -3.042 2.934 1.846 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.427 4.309 -0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.871 4.296 1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.798 2.545 1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.038 2.730 -1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.251 4.441 -0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.461 5.011 1.165 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.900 4.061 1.551 1.00 0.00 H new ATOM 894 N ARG A 54 -2.054 1.028 -0.634 1.00 0.00 N ATOM 895 CA ARG A 54 -2.051 -0.129 -1.513 1.00 0.00 C ATOM 896 C ARG A 54 -1.904 -1.415 -0.697 1.00 0.00 C ATOM 897 O ARG A 54 -0.926 -1.585 0.030 1.00 0.00 O ATOM 898 CB ARG A 54 -0.911 -0.046 -2.530 1.00 0.00 C ATOM 899 CG ARG A 54 -1.309 -0.700 -3.854 1.00 0.00 C ATOM 900 CD ARG A 54 -0.466 -0.155 -5.009 1.00 0.00 C ATOM 901 NE ARG A 54 0.869 -0.794 -5.007 1.00 0.00 N ATOM 902 CZ ARG A 54 1.790 -0.612 -5.963 1.00 0.00 C ATOM 903 NH1 ARG A 54 1.528 0.191 -7.002 1.00 0.00 N ATOM 904 NH2 ARG A 54 2.975 -1.233 -5.878 1.00 0.00 N ATOM 0 H ARG A 54 -1.847 0.822 0.343 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.000 -0.140 -2.049 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.647 0.998 -2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.025 -0.538 -2.129 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.181 -1.780 -3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.365 -0.517 -4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.968 -0.345 -5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.361 0.926 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 54 1.102 -1.411 -4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.627 0.665 -7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.230 0.329 -7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.175 -1.844 -5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.677 -1.095 -6.605 1.00 0.00 H new ATOM 918 N ILE A 55 -2.891 -2.287 -0.844 1.00 0.00 N ATOM 919 CA ILE A 55 -2.884 -3.552 -0.129 1.00 0.00 C ATOM 920 C ILE A 55 -2.106 -4.588 -0.943 1.00 0.00 C ATOM 921 O ILE A 55 -2.211 -4.627 -2.168 1.00 0.00 O ATOM 922 CB ILE A 55 -4.312 -3.984 0.211 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.882 -3.140 1.353 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.374 -5.481 0.518 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.345 -3.498 1.621 1.00 0.00 C ATOM 0 H ILE A 55 -3.701 -2.142 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.372 -3.446 0.827 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.939 -3.809 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.293 -3.299 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.803 -2.082 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.400 -5.761 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.036 -6.045 -0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.730 -5.705 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.726 -2.884 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.935 -3.315 0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.418 -4.551 1.894 1.00 0.00 H new ATOM 937 N LYS A 56 -1.342 -5.403 -0.229 1.00 0.00 N ATOM 938 CA LYS A 56 -0.547 -6.436 -0.870 1.00 0.00 C ATOM 939 C LYS A 56 -0.891 -7.794 -0.254 1.00 0.00 C ATOM 940 O LYS A 56 -0.641 -8.025 0.928 1.00 0.00 O ATOM 941 CB LYS A 56 0.941 -6.088 -0.799 1.00 0.00 C ATOM 942 CG LYS A 56 1.670 -6.536 -2.067 1.00 0.00 C ATOM 943 CD LYS A 56 2.369 -5.354 -2.743 1.00 0.00 C ATOM 944 CE LYS A 56 3.794 -5.184 -2.213 1.00 0.00 C ATOM 945 NZ LYS A 56 4.521 -4.162 -2.999 1.00 0.00 N ATOM 0 H LYS A 56 -1.257 -5.368 0.787 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.786 -6.497 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.061 -5.013 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.389 -6.568 0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.403 -7.303 -1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.959 -6.988 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.394 -5.510 -3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.800 -4.441 -2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.765 -4.892 -1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.323 -6.135 -2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.486 -4.059 -2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.564 -4.456 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.024 -3.251 -2.928 1.00 0.00 H new ATOM 959 N THR A 57 -1.460 -8.657 -1.083 1.00 0.00 N ATOM 960 CA THR A 57 -1.841 -9.985 -0.635 1.00 0.00 C ATOM 961 C THR A 57 -0.659 -10.948 -0.756 1.00 0.00 C ATOM 962 O THR A 57 -0.009 -11.012 -1.799 1.00 0.00 O ATOM 963 CB THR A 57 -3.066 -10.423 -1.441 1.00 0.00 C ATOM 964 OG1 THR A 57 -3.835 -9.231 -1.578 1.00 0.00 O ATOM 965 CG2 THR A 57 -3.978 -11.367 -0.655 1.00 0.00 C ATOM 0 H THR A 57 -1.666 -8.462 -2.063 1.00 0.00 H new ATOM 0 HA THR A 57 -2.112 -9.983 0.421 1.00 0.00 H new ATOM 0 HB THR A 57 -2.740 -10.914 -2.358 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.648 -9.423 -2.090 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.831 -11.647 -1.273 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.422 -12.262 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.331 -10.865 0.246 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.597 -13.478 3.990 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.437 -12.255 4.759 1.00 0.00 C ATOM 1052 C GLU A 63 -2.151 -11.076 3.827 1.00 0.00 C ATOM 1053 O GLU A 63 -1.175 -11.093 3.079 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.333 -12.407 5.806 1.00 0.00 C ATOM 1055 CG GLU A 63 -1.027 -11.067 6.479 1.00 0.00 C ATOM 1056 CD GLU A 63 0.135 -10.356 5.782 1.00 0.00 C ATOM 1057 OE1 GLU A 63 1.289 -10.744 6.065 1.00 0.00 O ATOM 1058 OE2 GLU A 63 -0.157 -9.440 4.983 1.00 0.00 O ATOM 0 HA GLU A 63 -3.369 -12.056 5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.638 -13.135 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.430 -12.796 5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.913 -10.433 6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.781 -11.231 7.528 1.00 0.00 H new ATOM 1065 N SER A 64 -3.021 -10.079 3.903 1.00 0.00 N ATOM 1066 CA SER A 64 -2.874 -8.893 3.075 1.00 0.00 C ATOM 1067 C SER A 64 -2.503 -7.691 3.946 1.00 0.00 C ATOM 1068 O SER A 64 -3.134 -7.445 4.973 1.00 0.00 O ATOM 1069 CB SER A 64 -4.156 -8.606 2.292 1.00 0.00 C ATOM 1070 OG SER A 64 -4.606 -9.747 1.567 1.00 0.00 O ATOM 0 H SER A 64 -3.830 -10.068 4.525 1.00 0.00 H new ATOM 0 HA SER A 64 -2.075 -9.074 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.937 -8.283 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.981 -7.782 1.600 1.00 0.00 H new ATOM 0 HG SER A 64 -5.409 -9.514 1.056 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.481 -6.973 3.503 1.00 0.00 N ATOM 1077 CA LYS A 65 -1.019 -5.802 4.228 1.00 0.00 C ATOM 1078 C LYS A 65 -1.174 -4.564 3.343 1.00 0.00 C ATOM 1079 O LYS A 65 -0.971 -4.633 2.132 1.00 0.00 O ATOM 1080 CB LYS A 65 0.407 -6.017 4.740 1.00 0.00 C ATOM 1081 CG LYS A 65 1.434 -5.479 3.742 1.00 0.00 C ATOM 1082 CD LYS A 65 2.859 -5.673 4.264 1.00 0.00 C ATOM 1083 CE LYS A 65 3.242 -7.155 4.277 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.360 -7.671 2.895 1.00 0.00 N ATOM 0 H LYS A 65 -0.960 -7.180 2.651 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.631 -5.638 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.532 -5.517 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.580 -7.080 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.320 -5.990 2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.250 -4.420 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.558 -5.119 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.940 -5.264 5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.187 -7.288 4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.491 -7.726 4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.888 -8.567 2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.411 -7.832 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.865 -6.977 2.307 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.534 -3.460 3.981 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.719 -2.209 3.266 1.00 0.00 C ATOM 1100 C GLY A 66 -1.644 -1.016 4.221 1.00 0.00 C ATOM 1101 O GLY A 66 -2.163 -1.073 5.335 1.00 0.00 O ATOM 0 H GLY A 66 -1.703 -3.406 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.955 -2.110 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.684 -2.214 2.760 1.00 0.00 H new ATOM 1105 N TYR A 67 -0.993 0.038 3.750 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.843 1.243 4.548 1.00 0.00 C ATOM 1107 C TYR A 67 -2.018 2.198 4.326 1.00 0.00 C ATOM 1108 O TYR A 67 -2.326 2.555 3.190 1.00 0.00 O ATOM 1109 CB TYR A 67 0.443 1.914 4.061 1.00 0.00 C ATOM 1110 CG TYR A 67 1.717 1.352 4.694 1.00 0.00 C ATOM 1111 CD1 TYR A 67 2.040 0.020 4.528 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.543 2.176 5.431 1.00 0.00 C ATOM 1113 CE1 TYR A 67 3.239 -0.509 5.123 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.742 1.646 6.027 1.00 0.00 C ATOM 1115 CZ TYR A 67 4.031 0.330 5.844 1.00 0.00 C ATOM 1116 OH TYR A 67 5.164 -0.171 6.406 1.00 0.00 O ATOM 0 H TYR A 67 -0.564 0.082 2.826 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.811 0.998 5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.509 1.806 2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.386 2.982 4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.393 -0.625 3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.290 3.218 5.561 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.504 -1.549 5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.397 2.280 6.606 1.00 0.00 H new ATOM 0 HH TYR A 67 5.171 0.032 7.365 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.642 2.583 5.429 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.777 3.489 5.369 1.00 0.00 C ATOM 1128 C ALA A 68 -3.321 4.897 5.760 1.00 0.00 C ATOM 1129 O ALA A 68 -2.328 5.058 6.467 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.895 2.967 6.273 1.00 0.00 C ATOM 0 H ALA A 68 -2.384 2.284 6.369 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.174 3.540 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.746 3.646 6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.203 1.977 5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.534 2.905 7.300 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.069 5.880 5.281 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.754 7.269 5.571 1.00 0.00 C ATOM 1138 C LYS A 69 -4.926 7.907 6.320 1.00 0.00 C ATOM 1139 O LYS A 69 -6.007 8.077 5.759 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.367 8.009 4.290 1.00 0.00 C ATOM 1141 CG LYS A 69 -2.075 7.442 3.698 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.869 7.930 2.263 1.00 0.00 C ATOM 1143 CE LYS A 69 -2.729 7.130 1.282 1.00 0.00 C ATOM 1144 NZ LYS A 69 -2.413 7.509 -0.113 1.00 0.00 N ATOM 0 H LYS A 69 -4.892 5.743 4.694 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.884 7.334 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.173 7.926 3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.238 9.070 4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.227 7.742 4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.111 6.353 3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.123 8.988 2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.818 7.836 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.555 6.063 1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.785 7.311 1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.005 6.957 -0.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.601 8.523 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.410 7.314 -0.307 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.671 8.244 7.576 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.691 8.860 8.407 1.00 0.00 C ATOM 1160 C LEU A 70 -5.476 10.374 8.434 1.00 0.00 C ATOM 1161 O LEU A 70 -4.404 10.846 8.810 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.711 8.217 9.796 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.507 8.963 10.869 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -7.916 9.296 10.374 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.531 8.175 12.180 1.00 0.00 C ATOM 0 H LEU A 70 -3.773 8.102 8.038 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.681 8.686 7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.119 7.211 9.703 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.682 8.113 10.141 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.005 9.909 11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.460 9.826 11.156 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.851 9.926 9.487 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.442 8.374 10.127 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.103 8.727 12.926 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.996 7.204 12.012 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.511 8.032 12.537 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.512 11.094 8.029 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.449 12.546 8.001 1.00 0.00 C ATOM 1179 C TYR A 71 -7.338 13.154 9.088 1.00 0.00 C ATOM 1180 O TYR A 71 -8.288 12.519 9.544 1.00 0.00 O ATOM 1181 CB TYR A 71 -6.982 12.965 6.630 1.00 0.00 C ATOM 1182 CG TYR A 71 -6.032 12.651 5.471 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.838 11.344 5.072 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -5.370 13.675 4.826 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.945 11.049 3.982 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.476 13.381 3.736 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.308 12.082 3.367 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.464 11.804 2.338 1.00 0.00 O ATOM 0 H TYR A 71 -7.400 10.699 7.718 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.429 12.889 8.176 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.933 12.464 6.453 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.183 14.036 6.642 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.356 10.543 5.578 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.522 14.698 5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.784 10.031 3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.951 14.173 3.223 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.081 12.638 1.994 1.00 0.00 H new ATOM 1198 N GLU A 72 -6.999 14.376 9.470 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.755 15.076 10.495 1.00 0.00 C ATOM 1200 C GLU A 72 -8.930 15.828 9.866 1.00 0.00 C ATOM 1201 O GLU A 72 -9.907 16.138 10.546 1.00 0.00 O ATOM 1202 CB GLU A 72 -6.855 16.029 11.285 1.00 0.00 C ATOM 1203 CG GLU A 72 -5.873 15.252 12.164 1.00 0.00 C ATOM 1204 CD GLU A 72 -5.972 15.699 13.624 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -6.795 15.098 14.348 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -5.222 16.633 13.984 1.00 0.00 O ATOM 0 H GLU A 72 -6.211 14.900 9.088 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.151 14.339 11.194 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.304 16.670 10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.467 16.682 11.907 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.081 14.184 12.092 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.856 15.404 11.802 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.797 16.098 8.576 1.00 0.00 N ATOM 1214 CA ASP A 73 -9.835 16.807 7.849 1.00 0.00 C ATOM 1215 C ASP A 73 -9.796 16.391 6.377 1.00 0.00 C ATOM 1216 O ASP A 73 -8.787 15.873 5.901 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.621 18.320 7.918 1.00 0.00 C ATOM 1218 CG ASP A 73 -10.446 19.042 8.985 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -11.640 19.289 8.709 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -9.864 19.331 10.053 1.00 0.00 O ATOM 0 H ASP A 73 -7.985 15.838 8.015 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.794 16.557 8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.565 18.514 8.104 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.858 18.750 6.945 1.00 0.00 H new ATOM 1225 N ALA A 74 -10.908 16.632 5.697 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.013 16.288 4.289 1.00 0.00 C ATOM 1227 C ALA A 74 -10.379 17.399 3.449 1.00 0.00 C ATOM 1228 O ALA A 74 -9.866 17.143 2.360 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.481 16.051 3.930 1.00 0.00 C ATOM 0 H ALA A 74 -11.743 17.061 6.095 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.473 15.365 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.560 15.793 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.876 15.234 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.054 16.957 4.126 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.435 18.609 3.986 1.00 0.00 N ATOM 1236 CA ASP A 75 -9.873 19.759 3.299 1.00 0.00 C ATOM 1237 C ASP A 75 -8.387 19.512 3.031 1.00 0.00 C ATOM 1238 O ASP A 75 -7.906 19.740 1.922 1.00 0.00 O ATOM 1239 CB ASP A 75 -9.995 21.023 4.152 1.00 0.00 C ATOM 1240 CG ASP A 75 -10.389 22.286 3.383 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -9.519 22.797 2.646 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -11.552 22.713 3.551 1.00 0.00 O ATOM 0 H ASP A 75 -10.861 18.818 4.889 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.422 19.897 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -10.734 20.846 4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.042 21.201 4.649 1.00 0.00 H new ATOM 1247 N ARG A 76 -7.701 19.048 4.065 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.280 18.767 3.955 1.00 0.00 C ATOM 1249 C ARG A 76 -6.035 17.666 2.921 1.00 0.00 C ATOM 1250 O ARG A 76 -5.138 17.781 2.087 1.00 0.00 O ATOM 1251 CB ARG A 76 -5.698 18.330 5.301 1.00 0.00 C ATOM 1252 CG ARG A 76 -4.963 19.487 5.982 1.00 0.00 C ATOM 1253 CD ARG A 76 -3.724 19.894 5.182 1.00 0.00 C ATOM 1254 NE ARG A 76 -2.908 20.850 5.965 1.00 0.00 N ATOM 1255 CZ ARG A 76 -3.133 22.170 6.006 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -4.149 22.700 5.311 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -2.342 22.962 6.744 1.00 0.00 N ATOM 0 H ARG A 76 -8.103 18.860 4.983 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.785 19.685 3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.498 17.972 5.948 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.012 17.496 5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.633 20.341 6.081 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.670 19.194 6.990 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.132 19.012 4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.024 20.347 4.237 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.126 20.481 6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.752 22.098 4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.319 23.705 5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.569 22.559 7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.513 23.967 6.775 1.00 0.00 H new ATOM 1271 N MET A 77 -6.848 16.624 3.009 1.00 0.00 N ATOM 1272 CA MET A 77 -6.731 15.504 2.091 1.00 0.00 C ATOM 1273 C MET A 77 -6.709 15.985 0.639 1.00 0.00 C ATOM 1274 O MET A 77 -5.993 15.428 -0.193 1.00 0.00 O ATOM 1275 CB MET A 77 -7.911 14.551 2.295 1.00 0.00 C ATOM 1276 CG MET A 77 -8.012 13.549 1.143 1.00 0.00 C ATOM 1277 SD MET A 77 -8.746 12.028 1.719 1.00 0.00 S ATOM 1278 CE MET A 77 -10.432 12.566 1.955 1.00 0.00 C ATOM 0 H MET A 77 -7.591 16.532 3.702 1.00 0.00 H new ATOM 0 HA MET A 77 -5.794 14.986 2.297 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.793 14.016 3.237 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.836 15.122 2.367 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.612 13.969 0.336 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.021 13.352 0.734 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.680 12.530 3.016 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.542 13.587 1.591 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.104 11.909 1.403 1.00 0.00 H new