USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 624 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 65 LYS NZ :NH3+ 177:sc= -0.293 (180deg=-0.162) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 177:sc= -0.153 (180deg=0) USER MOD Set 2.1: A 23 SER OG : rot 107:sc= 1.21 USER MOD Set 2.2: A 45 CYS SG : rot 132:sc= -0.285 USER MOD Set 3.1: A 27 HIS :FLIP no HD1:sc= -1.46 F(o=-13,f=-12) USER MOD Set 3.2: A 31 HIS : no HD1:sc= -10.3! C(o=-12!,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.344) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0171) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.416 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00599 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.7) USER MOD Single : A 22 THR OG1 : rot 98:sc= 1.31 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 40:sc= 0.0831 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00458 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 42 SER OG : rot 176:sc= -1.56 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -44:sc= 0.168 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -137:sc= -0.455 USER MOD Single : A 52 MET CE :methyl -121:sc= -0.339 (180deg=-1.9!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -103:sc= 0.778 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -168:sc= -0.113 (180deg=-0.426) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.655 8.359 -4.134 1.00 0.00 N ATOM 2 CA MET A 1 -21.865 9.567 -3.758 1.00 0.00 C ATOM 3 C MET A 1 -21.775 10.531 -4.944 1.00 0.00 C ATOM 4 O MET A 1 -21.672 10.117 -6.084 1.00 0.00 O ATOM 5 CB MET A 1 -20.478 9.035 -3.394 1.00 0.00 C ATOM 6 CG MET A 1 -19.750 10.060 -2.522 1.00 0.00 C ATOM 7 SD MET A 1 -18.173 9.368 -1.967 1.00 0.00 S ATOM 8 CE MET A 1 -18.752 8.732 -0.375 1.00 0.00 C ATOM 0 H1 MET A 1 -22.709 7.713 -3.321 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.615 8.645 -4.413 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.193 7.876 -4.930 1.00 0.00 H new ATOM 0 HA MET A 1 -22.320 10.118 -2.935 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.568 8.088 -2.862 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.903 8.838 -4.299 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.579 10.977 -3.086 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.366 10.325 -1.662 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.924 8.254 0.149 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.135 9.555 0.228 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.546 8.004 -0.541 1.00 0.00 H new ATOM 20 N GLY A 2 -21.813 11.812 -4.681 1.00 0.00 N ATOM 21 CA GLY A 2 -21.731 12.813 -5.786 1.00 0.00 C ATOM 22 C GLY A 2 -21.186 14.133 -5.239 1.00 0.00 C ATOM 23 O GLY A 2 -21.815 14.784 -4.426 1.00 0.00 O ATOM 0 H GLY A 2 -21.898 12.209 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -21.084 12.441 -6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -22.717 12.968 -6.224 1.00 0.00 H new ATOM 27 N LYS A 3 -20.019 14.530 -5.679 1.00 0.00 N ATOM 28 CA LYS A 3 -19.423 15.809 -5.188 1.00 0.00 C ATOM 29 C LYS A 3 -18.660 16.505 -6.320 1.00 0.00 C ATOM 30 O LYS A 3 -17.478 16.288 -6.508 1.00 0.00 O ATOM 31 CB LYS A 3 -18.464 15.396 -4.063 1.00 0.00 C ATOM 32 CG LYS A 3 -18.702 16.274 -2.831 1.00 0.00 C ATOM 33 CD LYS A 3 -17.959 17.601 -2.996 1.00 0.00 C ATOM 34 CE LYS A 3 -18.172 18.464 -1.751 1.00 0.00 C ATOM 35 NZ LYS A 3 -16.957 19.322 -1.665 1.00 0.00 N ATOM 0 H LYS A 3 -19.452 14.022 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 3 -20.180 16.511 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.617 14.347 -3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.431 15.495 -4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.769 16.456 -2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.356 15.761 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.895 17.418 -3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.321 18.125 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.076 19.067 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.285 17.848 -0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.154 20.142 -1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.172 18.772 -1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.696 19.651 -2.617 1.00 0.00 H new ATOM 49 N GLY A 4 -19.332 17.339 -7.072 1.00 0.00 N ATOM 50 CA GLY A 4 -18.658 18.055 -8.195 1.00 0.00 C ATOM 51 C GLY A 4 -18.331 19.486 -7.764 1.00 0.00 C ATOM 52 O GLY A 4 -17.332 20.052 -8.165 1.00 0.00 O ATOM 0 H GLY A 4 -20.322 17.555 -6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.745 17.531 -8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.304 18.067 -9.073 1.00 0.00 H new ATOM 56 N ASP A 5 -19.169 20.074 -6.943 1.00 0.00 N ATOM 57 CA ASP A 5 -18.930 21.478 -6.467 1.00 0.00 C ATOM 58 C ASP A 5 -18.768 22.436 -7.660 1.00 0.00 C ATOM 59 O ASP A 5 -18.714 22.002 -8.794 1.00 0.00 O ATOM 60 CB ASP A 5 -17.639 21.425 -5.638 1.00 0.00 C ATOM 61 CG ASP A 5 -17.980 21.458 -4.147 1.00 0.00 C ATOM 62 OD1 ASP A 5 -18.772 20.631 -3.721 1.00 0.00 O ATOM 63 OD2 ASP A 5 -17.445 22.308 -3.455 1.00 0.00 O ATOM 0 H ASP A 5 -20.016 19.639 -6.578 1.00 0.00 H new ATOM 0 HA ASP A 5 -19.769 21.848 -5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -17.082 20.518 -5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.997 22.269 -5.893 1.00 0.00 H new ATOM 68 N PRO A 6 -18.700 23.720 -7.372 1.00 0.00 N ATOM 69 CA PRO A 6 -18.546 24.726 -8.454 1.00 0.00 C ATOM 70 C PRO A 6 -17.120 24.708 -8.996 1.00 0.00 C ATOM 71 O PRO A 6 -16.892 24.802 -10.187 1.00 0.00 O ATOM 72 CB PRO A 6 -18.809 26.055 -7.753 1.00 0.00 C ATOM 73 CG PRO A 6 -18.463 25.804 -6.320 1.00 0.00 C ATOM 74 CD PRO A 6 -18.760 24.354 -6.043 1.00 0.00 C ATOM 0 HA PRO A 6 -19.212 24.542 -9.297 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -18.197 26.853 -8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -19.850 26.361 -7.861 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.412 26.025 -6.133 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.047 26.449 -5.664 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.030 23.920 -5.360 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.740 24.228 -5.584 1.00 0.00 H new ATOM 82 N ASN A 7 -16.158 24.615 -8.116 1.00 0.00 N ATOM 83 CA ASN A 7 -14.737 24.619 -8.544 1.00 0.00 C ATOM 84 C ASN A 7 -13.993 23.454 -7.881 1.00 0.00 C ATOM 85 O ASN A 7 -14.588 22.471 -7.487 1.00 0.00 O ATOM 86 CB ASN A 7 -14.210 25.977 -8.049 1.00 0.00 C ATOM 87 CG ASN A 7 -13.933 26.889 -9.245 1.00 0.00 C ATOM 88 OD1 ASN A 7 -12.797 27.084 -9.628 1.00 0.00 O ATOM 89 ND2 ASN A 7 -14.937 27.461 -9.853 1.00 0.00 N ATOM 0 H ASN A 7 -16.303 24.536 -7.109 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.603 24.495 -9.619 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.940 26.442 -7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.298 25.835 -7.469 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.768 28.073 -10.651 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.890 27.296 -9.530 1.00 0.00 H new ATOM 96 N LYS A 8 -12.695 23.563 -7.762 1.00 0.00 N ATOM 97 CA LYS A 8 -11.875 22.475 -7.132 1.00 0.00 C ATOM 98 C LYS A 8 -12.076 21.143 -7.876 1.00 0.00 C ATOM 99 O LYS A 8 -12.986 21.014 -8.671 1.00 0.00 O ATOM 100 CB LYS A 8 -12.355 22.363 -5.678 1.00 0.00 C ATOM 101 CG LYS A 8 -11.523 23.293 -4.793 1.00 0.00 C ATOM 102 CD LYS A 8 -12.012 23.194 -3.346 1.00 0.00 C ATOM 103 CE LYS A 8 -11.283 24.229 -2.487 1.00 0.00 C ATOM 104 NZ LYS A 8 -12.064 25.487 -2.653 1.00 0.00 N ATOM 0 H LYS A 8 -12.157 24.370 -8.078 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.811 22.705 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.410 22.628 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.262 21.334 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.469 23.021 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.607 24.321 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.088 23.363 -3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.831 22.192 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.249 23.921 -1.442 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.252 24.358 -2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.424 26.304 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.533 25.485 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.781 25.552 -1.903 1.00 0.00 H new ATOM 118 N PRO A 9 -11.211 20.187 -7.605 1.00 0.00 N ATOM 119 CA PRO A 9 -11.315 18.867 -8.276 1.00 0.00 C ATOM 120 C PRO A 9 -12.483 18.059 -7.700 1.00 0.00 C ATOM 121 O PRO A 9 -13.332 18.588 -7.007 1.00 0.00 O ATOM 122 CB PRO A 9 -9.984 18.193 -7.958 1.00 0.00 C ATOM 123 CG PRO A 9 -9.507 18.840 -6.698 1.00 0.00 C ATOM 124 CD PRO A 9 -10.073 20.236 -6.669 1.00 0.00 C ATOM 0 HA PRO A 9 -11.501 18.949 -9.347 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.109 17.118 -7.826 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.268 18.334 -8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.836 18.274 -5.827 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.418 18.866 -6.668 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.395 20.514 -5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.332 20.972 -6.981 1.00 0.00 H new ATOM 132 N ARG A 10 -12.527 16.783 -7.985 1.00 0.00 N ATOM 133 CA ARG A 10 -13.634 15.928 -7.462 1.00 0.00 C ATOM 134 C ARG A 10 -13.170 15.165 -6.218 1.00 0.00 C ATOM 135 O ARG A 10 -11.989 15.088 -5.933 1.00 0.00 O ATOM 136 CB ARG A 10 -13.953 14.958 -8.601 1.00 0.00 C ATOM 137 CG ARG A 10 -15.232 14.186 -8.275 1.00 0.00 C ATOM 138 CD ARG A 10 -15.601 13.286 -9.456 1.00 0.00 C ATOM 139 NE ARG A 10 -16.754 12.476 -8.977 1.00 0.00 N ATOM 140 CZ ARG A 10 -17.725 12.174 -9.795 1.00 0.00 C ATOM 141 NH1 ARG A 10 -18.440 13.123 -10.336 1.00 0.00 N ATOM 142 NH2 ARG A 10 -17.983 10.925 -10.072 1.00 0.00 N ATOM 0 H ARG A 10 -11.841 16.295 -8.560 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.506 16.512 -7.167 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -14.075 15.506 -9.535 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.124 14.265 -8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.088 13.585 -7.377 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.045 14.881 -8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.870 13.875 -10.333 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.764 12.650 -9.744 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.785 12.157 -8.009 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.239 14.099 -10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.199 12.888 -10.975 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.425 10.183 -9.649 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.742 10.691 -10.712 1.00 0.00 H new ATOM 156 N GLY A 11 -14.092 14.601 -5.479 1.00 0.00 N ATOM 157 CA GLY A 11 -13.714 13.841 -4.251 1.00 0.00 C ATOM 158 C GLY A 11 -13.126 12.486 -4.646 1.00 0.00 C ATOM 159 O GLY A 11 -12.847 12.235 -5.803 1.00 0.00 O ATOM 0 H GLY A 11 -15.092 14.635 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.987 14.408 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.588 13.698 -3.616 1.00 0.00 H new ATOM 163 N LYS A 12 -12.938 11.612 -3.690 1.00 0.00 N ATOM 164 CA LYS A 12 -12.368 10.265 -3.998 1.00 0.00 C ATOM 165 C LYS A 12 -13.451 9.191 -3.860 1.00 0.00 C ATOM 166 O LYS A 12 -14.626 9.493 -3.771 1.00 0.00 O ATOM 167 CB LYS A 12 -11.267 10.054 -2.958 1.00 0.00 C ATOM 168 CG LYS A 12 -10.152 11.078 -3.180 1.00 0.00 C ATOM 169 CD LYS A 12 -9.264 11.142 -1.936 1.00 0.00 C ATOM 170 CE LYS A 12 -9.900 12.074 -0.901 1.00 0.00 C ATOM 171 NZ LYS A 12 -8.836 12.302 0.116 1.00 0.00 N ATOM 0 H LYS A 12 -13.155 11.774 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.984 10.200 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.676 10.158 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.867 9.043 -3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.557 10.801 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.580 12.059 -3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.138 10.145 -1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.271 11.502 -2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.218 13.012 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.784 11.621 -0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.197 12.933 0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.558 11.393 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.009 12.740 -0.339 1.00 0.00 H new ATOM 185 N MET A 13 -13.060 7.942 -3.843 1.00 0.00 N ATOM 186 CA MET A 13 -14.060 6.842 -3.712 1.00 0.00 C ATOM 187 C MET A 13 -13.527 5.755 -2.775 1.00 0.00 C ATOM 188 O MET A 13 -12.539 5.945 -2.090 1.00 0.00 O ATOM 189 CB MET A 13 -14.234 6.294 -5.129 1.00 0.00 C ATOM 190 CG MET A 13 -15.007 7.306 -5.975 1.00 0.00 C ATOM 191 SD MET A 13 -15.143 6.695 -7.673 1.00 0.00 S ATOM 192 CE MET A 13 -16.522 7.751 -8.183 1.00 0.00 C ATOM 0 H MET A 13 -12.089 7.637 -3.914 1.00 0.00 H new ATOM 0 HA MET A 13 -15.004 7.188 -3.292 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.260 6.098 -5.577 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.768 5.344 -5.100 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.000 7.465 -5.554 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.498 8.270 -5.964 1.00 0.00 H new ATOM 0 HE1 MET A 13 -16.779 7.538 -9.221 1.00 0.00 H new ATOM 0 HE2 MET A 13 -17.386 7.554 -7.548 1.00 0.00 H new ATOM 0 HE3 MET A 13 -16.233 8.798 -8.088 1.00 0.00 H new ATOM 202 N SER A 14 -14.176 4.620 -2.741 1.00 0.00 N ATOM 203 CA SER A 14 -13.715 3.514 -1.851 1.00 0.00 C ATOM 204 C SER A 14 -14.004 2.159 -2.502 1.00 0.00 C ATOM 205 O SER A 14 -14.565 2.087 -3.579 1.00 0.00 O ATOM 206 CB SER A 14 -14.530 3.677 -0.570 1.00 0.00 C ATOM 207 OG SER A 14 -14.462 2.476 0.187 1.00 0.00 O ATOM 0 H SER A 14 -15.008 4.411 -3.293 1.00 0.00 H new ATOM 0 HA SER A 14 -12.642 3.553 -1.661 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.145 4.512 0.016 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.567 3.909 -0.812 1.00 0.00 H new ATOM 0 HG SER A 14 -14.983 2.579 1.011 1.00 0.00 H new ATOM 213 N SER A 15 -13.625 1.086 -1.854 1.00 0.00 N ATOM 214 CA SER A 15 -13.874 -0.270 -2.430 1.00 0.00 C ATOM 215 C SER A 15 -15.340 -0.666 -2.236 1.00 0.00 C ATOM 216 O SER A 15 -15.895 -1.420 -3.012 1.00 0.00 O ATOM 217 CB SER A 15 -12.957 -1.211 -1.650 1.00 0.00 C ATOM 218 OG SER A 15 -13.287 -1.151 -0.269 1.00 0.00 O ATOM 0 H SER A 15 -13.153 1.091 -0.950 1.00 0.00 H new ATOM 0 HA SER A 15 -13.674 -0.305 -3.501 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.066 -2.231 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.915 -0.928 -1.799 1.00 0.00 H new ATOM 0 HG SER A 15 -12.701 -1.755 0.234 1.00 0.00 H new ATOM 224 N TYR A 16 -15.969 -0.161 -1.203 1.00 0.00 N ATOM 225 CA TYR A 16 -17.401 -0.505 -0.951 1.00 0.00 C ATOM 226 C TYR A 16 -18.307 0.258 -1.922 1.00 0.00 C ATOM 227 O TYR A 16 -19.375 -0.203 -2.279 1.00 0.00 O ATOM 228 CB TYR A 16 -17.672 -0.068 0.490 1.00 0.00 C ATOM 229 CG TYR A 16 -18.943 -0.717 0.981 1.00 0.00 C ATOM 230 CD1 TYR A 16 -18.930 -2.052 1.403 1.00 0.00 C ATOM 231 CD2 TYR A 16 -20.136 0.016 1.016 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.109 -2.654 1.858 1.00 0.00 C ATOM 233 CE2 TYR A 16 -21.315 -0.586 1.471 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.301 -1.921 1.893 1.00 0.00 C ATOM 235 OH TYR A 16 -22.463 -2.515 2.342 1.00 0.00 O ATOM 0 H TYR A 16 -15.551 0.475 -0.524 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.600 -1.567 -1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.836 -0.350 1.130 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.761 1.017 0.542 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -18.010 -2.617 1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.146 1.046 0.692 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.099 -3.684 2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -22.235 -0.021 1.497 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.198 -1.868 2.303 1.00 0.00 H new ATOM 245 N ALA A 17 -17.884 1.420 -2.352 1.00 0.00 N ATOM 246 CA ALA A 17 -18.715 2.219 -3.304 1.00 0.00 C ATOM 247 C ALA A 17 -18.653 1.601 -4.703 1.00 0.00 C ATOM 248 O ALA A 17 -19.640 1.555 -5.413 1.00 0.00 O ATOM 249 CB ALA A 17 -18.092 3.616 -3.308 1.00 0.00 C ATOM 0 H ALA A 17 -16.999 1.850 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.765 2.245 -3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.650 4.261 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.126 4.032 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.056 3.551 -3.639 1.00 0.00 H new ATOM 255 N PHE A 18 -17.500 1.122 -5.098 1.00 0.00 N ATOM 256 CA PHE A 18 -17.368 0.500 -6.452 1.00 0.00 C ATOM 257 C PHE A 18 -18.116 -0.836 -6.491 1.00 0.00 C ATOM 258 O PHE A 18 -18.597 -1.255 -7.526 1.00 0.00 O ATOM 259 CB PHE A 18 -15.866 0.281 -6.651 1.00 0.00 C ATOM 260 CG PHE A 18 -15.276 1.468 -7.376 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.696 1.775 -8.674 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.308 2.261 -6.746 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.149 2.877 -9.346 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.761 3.362 -7.417 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.182 3.669 -8.716 1.00 0.00 C ATOM 0 H PHE A 18 -16.645 1.135 -4.542 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.791 1.127 -7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.376 0.150 -5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.693 -0.631 -7.223 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.442 1.163 -9.159 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.984 2.023 -5.744 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.473 3.115 -10.348 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.015 3.974 -6.932 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.760 4.518 -9.233 1.00 0.00 H new ATOM 275 N PHE A 19 -18.218 -1.501 -5.367 1.00 0.00 N ATOM 276 CA PHE A 19 -18.938 -2.812 -5.331 1.00 0.00 C ATOM 277 C PHE A 19 -20.404 -2.617 -5.727 1.00 0.00 C ATOM 278 O PHE A 19 -20.882 -3.204 -6.678 1.00 0.00 O ATOM 279 CB PHE A 19 -18.834 -3.292 -3.882 1.00 0.00 C ATOM 280 CG PHE A 19 -19.135 -4.770 -3.818 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.206 -5.696 -4.310 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.342 -5.216 -3.269 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.485 -7.066 -4.251 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.621 -6.587 -3.210 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.693 -7.511 -3.701 1.00 0.00 C ATOM 0 H PHE A 19 -17.834 -1.193 -4.473 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.511 -3.534 -6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.834 -3.097 -3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.533 -2.740 -3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.274 -5.353 -4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -21.059 -4.503 -2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.769 -7.780 -4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.553 -6.931 -2.785 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.908 -8.568 -3.656 1.00 0.00 H new ATOM 295 N VAL A 20 -21.116 -1.788 -5.004 1.00 0.00 N ATOM 296 CA VAL A 20 -22.553 -1.543 -5.336 1.00 0.00 C ATOM 297 C VAL A 20 -22.659 -0.874 -6.711 1.00 0.00 C ATOM 298 O VAL A 20 -23.566 -1.149 -7.474 1.00 0.00 O ATOM 299 CB VAL A 20 -23.070 -0.611 -4.232 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.535 -0.248 -4.495 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.959 -1.321 -2.880 1.00 0.00 C ATOM 0 H VAL A 20 -20.764 -1.271 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.134 -2.464 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.472 0.301 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.893 0.414 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.618 0.257 -5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.138 -1.156 -4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.325 -0.663 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.556 -2.233 -2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.917 -1.574 -2.686 1.00 0.00 H new ATOM 311 N GLN A 21 -21.736 -0.003 -7.031 1.00 0.00 N ATOM 312 CA GLN A 21 -21.777 0.686 -8.358 1.00 0.00 C ATOM 313 C GLN A 21 -21.610 -0.338 -9.484 1.00 0.00 C ATOM 314 O GLN A 21 -22.322 -0.309 -10.470 1.00 0.00 O ATOM 315 CB GLN A 21 -20.599 1.664 -8.346 1.00 0.00 C ATOM 316 CG GLN A 21 -20.800 2.720 -9.434 1.00 0.00 C ATOM 317 CD GLN A 21 -20.483 2.111 -10.801 1.00 0.00 C ATOM 318 OE1 GLN A 21 -19.438 1.519 -10.987 1.00 0.00 O ATOM 319 NE2 GLN A 21 -21.345 2.233 -11.773 1.00 0.00 N ATOM 0 H GLN A 21 -20.955 0.261 -6.431 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.724 1.199 -8.525 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.520 2.143 -7.370 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.665 1.127 -8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.827 3.085 -9.416 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.154 3.577 -9.247 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -22.222 2.730 -11.617 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -21.142 1.832 -12.688 1.00 0.00 H new ATOM 328 N THR A 22 -20.676 -1.244 -9.339 1.00 0.00 N ATOM 329 CA THR A 22 -20.457 -2.278 -10.395 1.00 0.00 C ATOM 330 C THR A 22 -21.522 -3.371 -10.287 1.00 0.00 C ATOM 331 O THR A 22 -21.893 -3.989 -11.268 1.00 0.00 O ATOM 332 CB THR A 22 -19.067 -2.853 -10.112 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.122 -1.794 -10.051 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.678 -3.824 -11.228 1.00 0.00 C ATOM 0 H THR A 22 -20.055 -1.312 -8.533 1.00 0.00 H new ATOM 0 HA THR A 22 -20.525 -1.862 -11.400 1.00 0.00 H new ATOM 0 HB THR A 22 -19.079 -3.384 -9.160 1.00 0.00 H new ATOM 0 HG1 THR A 22 -17.966 -1.548 -9.115 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.688 -4.233 -11.026 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.404 -4.636 -11.273 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.665 -3.296 -12.181 1.00 0.00 H new ATOM 342 N SER A 23 -22.018 -3.611 -9.099 1.00 0.00 N ATOM 343 CA SER A 23 -23.064 -4.662 -8.916 1.00 0.00 C ATOM 344 C SER A 23 -24.413 -4.162 -9.444 1.00 0.00 C ATOM 345 O SER A 23 -25.250 -4.940 -9.863 1.00 0.00 O ATOM 346 CB SER A 23 -23.132 -4.902 -7.408 1.00 0.00 C ATOM 347 OG SER A 23 -21.922 -5.507 -6.974 1.00 0.00 O ATOM 0 H SER A 23 -21.743 -3.123 -8.247 1.00 0.00 H new ATOM 0 HA SER A 23 -22.829 -5.576 -9.460 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.289 -3.959 -6.885 1.00 0.00 H new ATOM 0 HB3 SER A 23 -23.980 -5.544 -7.168 1.00 0.00 H new ATOM 0 HG SER A 23 -21.389 -4.853 -6.475 1.00 0.00 H new ATOM 353 N ARG A 24 -24.625 -2.868 -9.433 1.00 0.00 N ATOM 354 CA ARG A 24 -25.918 -2.313 -9.940 1.00 0.00 C ATOM 355 C ARG A 24 -25.976 -2.451 -11.463 1.00 0.00 C ATOM 356 O ARG A 24 -26.986 -2.838 -12.021 1.00 0.00 O ATOM 357 CB ARG A 24 -25.913 -0.838 -9.535 1.00 0.00 C ATOM 358 CG ARG A 24 -27.347 -0.305 -9.533 1.00 0.00 C ATOM 359 CD ARG A 24 -27.712 0.191 -10.934 1.00 0.00 C ATOM 360 NE ARG A 24 -29.075 0.775 -10.792 1.00 0.00 N ATOM 361 CZ ARG A 24 -29.315 1.983 -11.223 1.00 0.00 C ATOM 362 NH1 ARG A 24 -28.603 2.986 -10.784 1.00 0.00 N ATOM 363 NH2 ARG A 24 -30.263 2.189 -12.095 1.00 0.00 N ATOM 0 H ARG A 24 -23.959 -2.173 -9.095 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.782 -2.837 -9.532 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.469 -0.723 -8.546 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.300 -0.262 -10.228 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.037 -1.090 -9.223 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.443 0.507 -8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -26.998 0.935 -11.288 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -27.705 -0.625 -11.656 1.00 0.00 H new ATOM 0 HE ARG A 24 -29.821 0.231 -10.358 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -27.860 2.825 -10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -28.790 3.930 -11.121 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -30.817 1.406 -12.440 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -30.450 3.134 -12.431 1.00 0.00 H new ATOM 377 N GLU A 25 -24.896 -2.143 -12.133 1.00 0.00 N ATOM 378 CA GLU A 25 -24.873 -2.260 -13.622 1.00 0.00 C ATOM 379 C GLU A 25 -25.083 -3.720 -14.029 1.00 0.00 C ATOM 380 O GLU A 25 -25.831 -4.018 -14.941 1.00 0.00 O ATOM 381 CB GLU A 25 -23.483 -1.780 -14.045 1.00 0.00 C ATOM 382 CG GLU A 25 -23.409 -0.257 -13.917 1.00 0.00 C ATOM 383 CD GLU A 25 -22.255 0.272 -14.770 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.116 0.034 -14.404 1.00 0.00 O ATOM 385 OE2 GLU A 25 -22.530 0.908 -15.775 1.00 0.00 O ATOM 0 H GLU A 25 -24.027 -1.815 -11.712 1.00 0.00 H new ATOM 0 HA GLU A 25 -25.661 -1.674 -14.096 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -22.720 -2.246 -13.421 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.280 -2.080 -15.073 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.349 0.192 -14.239 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.263 0.024 -12.874 1.00 0.00 H new ATOM 392 N GLU A 26 -24.431 -4.628 -13.349 1.00 0.00 N ATOM 393 CA GLU A 26 -24.592 -6.078 -13.681 1.00 0.00 C ATOM 394 C GLU A 26 -26.049 -6.505 -13.477 1.00 0.00 C ATOM 395 O GLU A 26 -26.517 -7.447 -14.090 1.00 0.00 O ATOM 396 CB GLU A 26 -23.674 -6.819 -12.705 1.00 0.00 C ATOM 397 CG GLU A 26 -23.695 -8.317 -13.023 1.00 0.00 C ATOM 398 CD GLU A 26 -22.605 -9.025 -12.215 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.844 -9.303 -11.052 1.00 0.00 O ATOM 400 OE2 GLU A 26 -21.551 -9.278 -12.775 1.00 0.00 O ATOM 0 H GLU A 26 -23.794 -4.429 -12.578 1.00 0.00 H new ATOM 0 HA GLU A 26 -24.337 -6.294 -14.719 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -22.657 -6.434 -12.782 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.002 -6.649 -11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -24.672 -8.737 -12.783 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -23.533 -8.476 -14.089 1.00 0.00 H new ATOM 407 N HIS A 27 -26.769 -5.817 -12.624 1.00 0.00 N ATOM 408 CA HIS A 27 -28.198 -6.176 -12.379 1.00 0.00 C ATOM 409 C HIS A 27 -29.112 -5.313 -13.260 1.00 0.00 C ATOM 410 O HIS A 27 -30.176 -4.900 -12.845 1.00 0.00 O ATOM 411 CB HIS A 27 -28.429 -5.873 -10.897 1.00 0.00 C ATOM 412 CG HIS A 27 -29.803 -6.329 -10.477 1.00 0.00 C ATOM 413 ND1 HIS A 27 -31.007 -5.670 -10.398 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -30.053 -7.621 -10.041 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -31.985 -6.536 -9.920 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.358 -7.697 -9.720 1.00 0.00 N flip ATOM 0 H HIS A 27 -26.426 -5.021 -12.087 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.417 -7.217 -12.619 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.672 -6.375 -10.294 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.323 -4.803 -10.717 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.331 -8.422 -9.971 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -33.028 -6.316 -9.748 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -31.812 -8.539 -9.367 1.00 0.00 H new ATOM 424 N LYS A 28 -28.701 -5.033 -14.470 1.00 0.00 N ATOM 425 CA LYS A 28 -29.546 -4.190 -15.371 1.00 0.00 C ATOM 426 C LYS A 28 -29.732 -4.876 -16.730 1.00 0.00 C ATOM 427 O LYS A 28 -29.682 -4.240 -17.766 1.00 0.00 O ATOM 428 CB LYS A 28 -28.771 -2.874 -15.530 1.00 0.00 C ATOM 429 CG LYS A 28 -29.694 -1.690 -15.227 1.00 0.00 C ATOM 430 CD LYS A 28 -30.604 -1.429 -16.430 1.00 0.00 C ATOM 431 CE LYS A 28 -31.867 -2.284 -16.310 1.00 0.00 C ATOM 432 NZ LYS A 28 -32.953 -1.448 -16.893 1.00 0.00 N ATOM 0 H LYS A 28 -27.819 -5.350 -14.873 1.00 0.00 H new ATOM 0 HA LYS A 28 -30.544 -4.028 -14.964 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -27.915 -2.862 -14.856 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -28.379 -2.792 -16.544 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -30.295 -1.901 -14.342 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -29.102 -0.802 -15.006 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -30.870 -0.373 -16.476 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -30.078 -1.666 -17.355 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -31.760 -3.225 -16.850 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -32.077 -2.535 -15.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -33.853 -1.967 -16.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -33.036 -0.562 -16.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -32.729 -1.231 -17.885 1.00 0.00 H new ATOM 446 N LYS A 29 -29.950 -6.167 -16.730 1.00 0.00 N ATOM 447 CA LYS A 29 -30.146 -6.900 -18.018 1.00 0.00 C ATOM 448 C LYS A 29 -31.447 -7.709 -17.970 1.00 0.00 C ATOM 449 O LYS A 29 -32.204 -7.739 -18.922 1.00 0.00 O ATOM 450 CB LYS A 29 -28.938 -7.832 -18.131 1.00 0.00 C ATOM 451 CG LYS A 29 -27.696 -7.015 -18.494 1.00 0.00 C ATOM 452 CD LYS A 29 -26.440 -7.787 -18.086 1.00 0.00 C ATOM 453 CE LYS A 29 -25.199 -7.042 -18.582 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.056 -7.940 -18.258 1.00 0.00 N ATOM 0 H LYS A 29 -30.001 -6.746 -15.892 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.221 -6.226 -18.871 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.779 -8.355 -17.188 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -29.121 -8.592 -18.890 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.680 -6.814 -19.565 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.722 -6.049 -17.989 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -26.403 -7.895 -17.002 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.466 -8.792 -18.506 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.257 -6.848 -19.653 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.095 -6.076 -18.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.168 -7.497 -18.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -24.022 -8.102 -17.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.179 -8.849 -18.748 1.00 0.00 H new ATOM 468 N LYS A 30 -31.707 -8.358 -16.866 1.00 0.00 N ATOM 469 CA LYS A 30 -32.957 -9.169 -16.736 1.00 0.00 C ATOM 470 C LYS A 30 -33.678 -8.812 -15.435 1.00 0.00 C ATOM 471 O LYS A 30 -33.857 -9.645 -14.564 1.00 0.00 O ATOM 472 CB LYS A 30 -32.495 -10.632 -16.706 1.00 0.00 C ATOM 473 CG LYS A 30 -31.473 -10.845 -15.579 1.00 0.00 C ATOM 474 CD LYS A 30 -30.110 -11.216 -16.173 1.00 0.00 C ATOM 475 CE LYS A 30 -30.172 -12.631 -16.751 1.00 0.00 C ATOM 476 NZ LYS A 30 -29.107 -12.669 -17.792 1.00 0.00 N ATOM 0 H LYS A 30 -31.105 -8.362 -16.043 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.652 -8.983 -17.554 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -33.352 -11.288 -16.557 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -32.051 -10.900 -17.665 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -31.384 -9.938 -14.981 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -31.815 -11.635 -14.911 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -29.836 -10.505 -16.953 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -29.339 -11.159 -15.404 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -29.997 -13.381 -15.979 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -31.152 -12.839 -17.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -29.088 -13.610 -18.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -29.304 -11.949 -18.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -28.185 -12.474 -17.352 1.00 0.00 H new ATOM 490 N HIS A 31 -34.080 -7.574 -15.288 1.00 0.00 N ATOM 491 CA HIS A 31 -34.776 -7.157 -14.027 1.00 0.00 C ATOM 492 C HIS A 31 -35.857 -6.109 -14.350 1.00 0.00 C ATOM 493 O HIS A 31 -35.868 -5.041 -13.769 1.00 0.00 O ATOM 494 CB HIS A 31 -33.686 -6.546 -13.118 1.00 0.00 C ATOM 495 CG HIS A 31 -32.438 -7.397 -13.133 1.00 0.00 C ATOM 496 ND1 HIS A 31 -31.310 -7.028 -13.845 1.00 0.00 N ATOM 497 CD2 HIS A 31 -32.142 -8.611 -12.564 1.00 0.00 C ATOM 498 CE1 HIS A 31 -30.397 -8.004 -13.691 1.00 0.00 C ATOM 499 NE2 HIS A 31 -30.853 -8.992 -12.919 1.00 0.00 N ATOM 0 H HIS A 31 -33.958 -6.836 -15.981 1.00 0.00 H new ATOM 0 HA HIS A 31 -35.269 -7.998 -13.539 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -33.448 -5.537 -13.455 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.062 -6.461 -12.098 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -32.809 -9.183 -11.936 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -29.414 -7.990 -14.138 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.362 -9.844 -12.648 1.00 0.00 H new ATOM 507 N PRO A 32 -36.737 -6.441 -15.271 1.00 0.00 N ATOM 508 CA PRO A 32 -37.815 -5.492 -15.652 1.00 0.00 C ATOM 509 C PRO A 32 -38.867 -5.402 -14.543 1.00 0.00 C ATOM 510 O PRO A 32 -39.232 -4.325 -14.110 1.00 0.00 O ATOM 511 CB PRO A 32 -38.409 -6.109 -16.916 1.00 0.00 C ATOM 512 CG PRO A 32 -38.098 -7.568 -16.821 1.00 0.00 C ATOM 513 CD PRO A 32 -36.821 -7.699 -16.033 1.00 0.00 C ATOM 0 HA PRO A 32 -37.453 -4.476 -15.810 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -39.484 -5.938 -16.970 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -37.971 -5.670 -17.812 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -38.910 -8.104 -16.330 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -37.984 -8.003 -17.814 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.848 -8.565 -15.371 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -35.960 -7.826 -16.689 1.00 0.00 H new ATOM 521 N ASP A 33 -39.356 -6.525 -14.084 1.00 0.00 N ATOM 522 CA ASP A 33 -40.388 -6.512 -13.003 1.00 0.00 C ATOM 523 C ASP A 33 -39.718 -6.424 -11.626 1.00 0.00 C ATOM 524 O ASP A 33 -40.289 -5.910 -10.683 1.00 0.00 O ATOM 525 CB ASP A 33 -41.152 -7.835 -13.155 1.00 0.00 C ATOM 526 CG ASP A 33 -40.193 -9.020 -12.997 1.00 0.00 C ATOM 527 OD1 ASP A 33 -39.567 -9.384 -13.978 1.00 0.00 O ATOM 528 OD2 ASP A 33 -40.101 -9.541 -11.897 1.00 0.00 O ATOM 0 H ASP A 33 -39.085 -7.452 -14.411 1.00 0.00 H new ATOM 0 HA ASP A 33 -41.054 -5.653 -13.083 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -41.943 -7.895 -12.407 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -41.634 -7.875 -14.132 1.00 0.00 H new ATOM 533 N SER A 34 -38.514 -6.923 -11.511 1.00 0.00 N ATOM 534 CA SER A 34 -37.800 -6.876 -10.199 1.00 0.00 C ATOM 535 C SER A 34 -37.034 -5.557 -10.061 1.00 0.00 C ATOM 536 O SER A 34 -36.287 -5.168 -10.938 1.00 0.00 O ATOM 537 CB SER A 34 -36.831 -8.057 -10.235 1.00 0.00 C ATOM 538 OG SER A 34 -37.568 -9.265 -10.353 1.00 0.00 O ATOM 0 H SER A 34 -37.993 -7.362 -12.270 1.00 0.00 H new ATOM 0 HA SER A 34 -38.485 -6.935 -9.353 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.144 -7.953 -11.075 1.00 0.00 H new ATOM 0 HB3 SER A 34 -36.226 -8.074 -9.328 1.00 0.00 H new ATOM 0 HG SER A 34 -38.318 -9.132 -10.970 1.00 0.00 H new ATOM 544 N SER A 35 -37.214 -4.871 -8.960 1.00 0.00 N ATOM 545 CA SER A 35 -36.501 -3.580 -8.749 1.00 0.00 C ATOM 546 C SER A 35 -35.181 -3.827 -8.017 1.00 0.00 C ATOM 547 O SER A 35 -34.787 -4.958 -7.802 1.00 0.00 O ATOM 548 CB SER A 35 -37.445 -2.743 -7.887 1.00 0.00 C ATOM 549 OG SER A 35 -37.689 -3.422 -6.662 1.00 0.00 O ATOM 0 H SER A 35 -37.828 -5.154 -8.196 1.00 0.00 H new ATOM 0 HA SER A 35 -36.258 -3.080 -9.687 1.00 0.00 H new ATOM 0 HB2 SER A 35 -37.007 -1.764 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 35 -38.383 -2.573 -8.415 1.00 0.00 H new ATOM 0 HG SER A 35 -38.293 -2.887 -6.106 1.00 0.00 H new ATOM 555 N VAL A 36 -34.496 -2.779 -7.633 1.00 0.00 N ATOM 556 CA VAL A 36 -33.201 -2.954 -6.912 1.00 0.00 C ATOM 557 C VAL A 36 -32.746 -1.625 -6.294 1.00 0.00 C ATOM 558 O VAL A 36 -31.734 -1.068 -6.677 1.00 0.00 O ATOM 559 CB VAL A 36 -32.213 -3.433 -7.984 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.077 -2.379 -9.086 1.00 0.00 C ATOM 561 CG2 VAL A 36 -30.844 -3.680 -7.344 1.00 0.00 C ATOM 0 H VAL A 36 -34.778 -1.811 -7.788 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.278 -3.664 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.587 -4.359 -8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.373 -2.730 -9.841 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.049 -2.208 -9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.711 -1.447 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.142 -4.020 -8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.477 -2.754 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -30.936 -4.442 -6.570 1.00 0.00 H new ATOM 571 N ASN A 37 -33.483 -1.118 -5.334 1.00 0.00 N ATOM 572 CA ASN A 37 -33.090 0.171 -4.681 1.00 0.00 C ATOM 573 C ASN A 37 -31.716 0.019 -4.025 1.00 0.00 C ATOM 574 O ASN A 37 -31.114 -1.038 -4.082 1.00 0.00 O ATOM 575 CB ASN A 37 -34.166 0.435 -3.624 1.00 0.00 C ATOM 576 CG ASN A 37 -35.318 1.223 -4.250 1.00 0.00 C ATOM 577 OD1 ASN A 37 -35.681 0.990 -5.386 1.00 0.00 O ATOM 578 ND2 ASN A 37 -35.913 2.152 -3.553 1.00 0.00 N ATOM 0 H ASN A 37 -34.339 -1.541 -4.975 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.020 0.993 -5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.534 -0.509 -3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -33.741 0.993 -2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -36.682 2.682 -3.962 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -35.609 2.348 -2.599 1.00 0.00 H new ATOM 585 N PHE A 38 -31.211 1.059 -3.405 1.00 0.00 N ATOM 586 CA PHE A 38 -29.871 0.953 -2.752 1.00 0.00 C ATOM 587 C PHE A 38 -29.947 0.029 -1.542 1.00 0.00 C ATOM 588 O PHE A 38 -29.095 -0.802 -1.354 1.00 0.00 O ATOM 589 CB PHE A 38 -29.491 2.364 -2.311 1.00 0.00 C ATOM 590 CG PHE A 38 -29.434 3.273 -3.515 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.305 3.257 -4.342 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.503 4.128 -3.806 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.245 4.094 -5.461 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.443 4.967 -4.925 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.312 4.949 -5.752 1.00 0.00 C ATOM 0 H PHE A 38 -31.665 1.969 -3.324 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.131 0.540 -3.437 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.220 2.740 -1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.525 2.350 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.480 2.598 -4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.374 4.141 -3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.375 4.080 -6.100 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.267 5.627 -5.151 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.265 5.596 -6.615 1.00 0.00 H new ATOM 605 N ALA A 39 -30.951 0.171 -0.716 1.00 0.00 N ATOM 606 CA ALA A 39 -31.052 -0.711 0.487 1.00 0.00 C ATOM 607 C ALA A 39 -31.416 -2.133 0.077 1.00 0.00 C ATOM 608 O ALA A 39 -30.860 -3.087 0.584 1.00 0.00 O ATOM 609 CB ALA A 39 -32.148 -0.096 1.358 1.00 0.00 C ATOM 0 H ALA A 39 -31.701 0.854 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.106 -0.774 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.275 -0.695 2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.866 0.920 1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.085 -0.074 0.802 1.00 0.00 H new ATOM 615 N GLU A 40 -32.325 -2.285 -0.846 1.00 0.00 N ATOM 616 CA GLU A 40 -32.699 -3.658 -1.295 1.00 0.00 C ATOM 617 C GLU A 40 -31.490 -4.344 -1.946 1.00 0.00 C ATOM 618 O GLU A 40 -31.478 -5.549 -2.123 1.00 0.00 O ATOM 619 CB GLU A 40 -33.824 -3.460 -2.314 1.00 0.00 C ATOM 620 CG GLU A 40 -35.056 -2.890 -1.609 1.00 0.00 C ATOM 621 CD GLU A 40 -35.737 -3.994 -0.796 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.377 -4.838 -1.400 1.00 0.00 O ATOM 623 OE2 GLU A 40 -35.606 -3.976 0.417 1.00 0.00 O ATOM 0 H GLU A 40 -32.823 -1.524 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.018 -4.291 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.498 -2.783 -3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.070 -4.410 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -34.766 -2.068 -0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.752 -2.482 -2.343 1.00 0.00 H new ATOM 630 N PHE A 41 -30.474 -3.589 -2.309 1.00 0.00 N ATOM 631 CA PHE A 41 -29.275 -4.204 -2.950 1.00 0.00 C ATOM 632 C PHE A 41 -28.053 -4.105 -2.030 1.00 0.00 C ATOM 633 O PHE A 41 -27.328 -5.062 -1.843 1.00 0.00 O ATOM 634 CB PHE A 41 -29.062 -3.395 -4.230 1.00 0.00 C ATOM 635 CG PHE A 41 -28.181 -4.164 -5.183 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.513 -5.477 -5.545 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.034 -3.562 -5.711 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.695 -6.185 -6.432 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.217 -4.270 -6.599 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.547 -5.581 -6.960 1.00 0.00 C ATOM 0 H PHE A 41 -30.429 -2.577 -2.187 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.415 -5.266 -3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.022 -3.182 -4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.604 -2.435 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.400 -5.942 -5.139 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.779 -2.550 -5.433 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -27.949 -7.197 -6.710 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.331 -3.805 -7.006 1.00 0.00 H new ATOM 0 HZ PHE A 41 -25.916 -6.127 -7.646 1.00 0.00 H new ATOM 650 N SER A 42 -27.831 -2.955 -1.454 1.00 0.00 N ATOM 651 CA SER A 42 -26.663 -2.768 -0.533 1.00 0.00 C ATOM 652 C SER A 42 -26.712 -3.803 0.598 1.00 0.00 C ATOM 653 O SER A 42 -25.701 -4.139 1.187 1.00 0.00 O ATOM 654 CB SER A 42 -26.821 -1.348 0.021 1.00 0.00 C ATOM 655 OG SER A 42 -27.959 -1.299 0.870 1.00 0.00 O ATOM 0 H SER A 42 -28.412 -2.126 -1.581 1.00 0.00 H new ATOM 0 HA SER A 42 -25.707 -2.901 -1.040 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.927 -1.060 0.575 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.932 -0.636 -0.797 1.00 0.00 H new ATOM 0 HG SER A 42 -28.025 -0.410 1.277 1.00 0.00 H new ATOM 661 N LYS A 43 -27.880 -4.320 0.892 1.00 0.00 N ATOM 662 CA LYS A 43 -28.006 -5.344 1.968 1.00 0.00 C ATOM 663 C LYS A 43 -27.575 -6.712 1.431 1.00 0.00 C ATOM 664 O LYS A 43 -27.077 -7.547 2.161 1.00 0.00 O ATOM 665 CB LYS A 43 -29.492 -5.355 2.331 1.00 0.00 C ATOM 666 CG LYS A 43 -29.719 -4.522 3.595 1.00 0.00 C ATOM 667 CD LYS A 43 -31.216 -4.456 3.903 1.00 0.00 C ATOM 668 CE LYS A 43 -31.504 -3.238 4.784 1.00 0.00 C ATOM 669 NZ LYS A 43 -32.726 -3.599 5.554 1.00 0.00 N ATOM 0 H LYS A 43 -28.755 -4.073 0.429 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.379 -5.123 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.081 -4.952 1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.829 -6.379 2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.184 -4.964 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.321 -3.517 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.786 -4.390 2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.534 -5.367 4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -30.667 -3.025 5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -31.667 -2.345 4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -32.986 -2.812 6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -33.508 -3.789 4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -32.539 -4.449 6.124 1.00 0.00 H new ATOM 683 N LYS A 44 -27.766 -6.940 0.155 1.00 0.00 N ATOM 684 CA LYS A 44 -27.372 -8.248 -0.447 1.00 0.00 C ATOM 685 C LYS A 44 -25.894 -8.224 -0.844 1.00 0.00 C ATOM 686 O LYS A 44 -25.165 -9.170 -0.608 1.00 0.00 O ATOM 687 CB LYS A 44 -28.257 -8.396 -1.686 1.00 0.00 C ATOM 688 CG LYS A 44 -28.548 -9.877 -1.934 1.00 0.00 C ATOM 689 CD LYS A 44 -27.416 -10.487 -2.761 1.00 0.00 C ATOM 690 CE LYS A 44 -27.789 -11.917 -3.161 1.00 0.00 C ATOM 691 NZ LYS A 44 -26.591 -12.440 -3.878 1.00 0.00 N ATOM 0 H LYS A 44 -28.179 -6.273 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.501 -9.078 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.190 -7.850 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.761 -7.962 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.644 -10.404 -0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.497 -9.989 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.236 -9.884 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.491 -10.489 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -28.022 -12.524 -2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.670 -11.931 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -26.769 -13.418 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -26.398 -11.846 -4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -25.769 -12.421 -3.241 1.00 0.00 H new ATOM 705 N CYS A 45 -25.446 -7.147 -1.443 1.00 0.00 N ATOM 706 CA CYS A 45 -24.010 -7.057 -1.855 1.00 0.00 C ATOM 707 C CYS A 45 -23.105 -7.165 -0.625 1.00 0.00 C ATOM 708 O CYS A 45 -21.988 -7.644 -0.706 1.00 0.00 O ATOM 709 CB CYS A 45 -23.860 -5.684 -2.519 1.00 0.00 C ATOM 710 SG CYS A 45 -24.523 -5.753 -4.201 1.00 0.00 S ATOM 0 H CYS A 45 -26.012 -6.328 -1.664 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.726 -7.861 -2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.389 -4.928 -1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.810 -5.392 -2.542 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.320 -4.744 -4.395 1.00 0.00 H new ATOM 716 N SER A 46 -23.583 -6.731 0.514 1.00 0.00 N ATOM 717 CA SER A 46 -22.759 -6.814 1.759 1.00 0.00 C ATOM 718 C SER A 46 -22.567 -8.280 2.157 1.00 0.00 C ATOM 719 O SER A 46 -21.531 -8.662 2.667 1.00 0.00 O ATOM 720 CB SER A 46 -23.559 -6.068 2.827 1.00 0.00 C ATOM 721 OG SER A 46 -24.765 -6.775 3.089 1.00 0.00 O ATOM 0 H SER A 46 -24.510 -6.322 0.636 1.00 0.00 H new ATOM 0 HA SER A 46 -21.767 -6.381 1.627 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.971 -5.977 3.741 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.783 -5.056 2.490 1.00 0.00 H new ATOM 0 HG SER A 46 -25.169 -7.059 2.242 1.00 0.00 H new ATOM 727 N GLU A 47 -23.560 -9.099 1.921 1.00 0.00 N ATOM 728 CA GLU A 47 -23.443 -10.546 2.279 1.00 0.00 C ATOM 729 C GLU A 47 -22.335 -11.202 1.450 1.00 0.00 C ATOM 730 O GLU A 47 -21.701 -12.146 1.883 1.00 0.00 O ATOM 731 CB GLU A 47 -24.802 -11.160 1.936 1.00 0.00 C ATOM 732 CG GLU A 47 -25.759 -10.970 3.115 1.00 0.00 C ATOM 733 CD GLU A 47 -25.347 -11.894 4.262 1.00 0.00 C ATOM 734 OE1 GLU A 47 -24.498 -11.495 5.041 1.00 0.00 O ATOM 735 OE2 GLU A 47 -25.888 -12.985 4.341 1.00 0.00 O ATOM 0 H GLU A 47 -24.447 -8.829 1.496 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.189 -10.690 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.211 -10.689 1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.688 -12.221 1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.742 -9.932 3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.781 -11.190 2.806 1.00 0.00 H new ATOM 742 N ARG A 48 -22.099 -10.703 0.263 1.00 0.00 N ATOM 743 CA ARG A 48 -21.032 -11.286 -0.603 1.00 0.00 C ATOM 744 C ARG A 48 -19.708 -10.552 -0.371 1.00 0.00 C ATOM 745 O ARG A 48 -18.646 -11.143 -0.404 1.00 0.00 O ATOM 746 CB ARG A 48 -21.522 -11.069 -2.035 1.00 0.00 C ATOM 747 CG ARG A 48 -20.850 -12.081 -2.965 1.00 0.00 C ATOM 748 CD ARG A 48 -21.507 -12.018 -4.347 1.00 0.00 C ATOM 749 NE ARG A 48 -20.819 -13.070 -5.146 1.00 0.00 N ATOM 750 CZ ARG A 48 -19.855 -12.742 -5.963 1.00 0.00 C ATOM 751 NH1 ARG A 48 -20.127 -12.115 -7.075 1.00 0.00 N ATOM 752 NH2 ARG A 48 -18.620 -13.042 -5.668 1.00 0.00 N ATOM 0 H ARG A 48 -22.602 -9.914 -0.144 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.854 -12.340 -0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.605 -11.181 -2.081 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.293 -10.054 -2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.785 -11.865 -3.047 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -20.941 -13.086 -2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.579 -12.207 -4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.383 -11.034 -4.799 1.00 0.00 H new ATOM 0 HE ARG A 48 -21.101 -14.046 -5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -21.093 -11.881 -7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -19.374 -11.859 -7.713 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.408 -13.533 -4.799 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.867 -12.786 -6.306 1.00 0.00 H new ATOM 766 N TRP A 49 -19.771 -9.267 -0.133 1.00 0.00 N ATOM 767 CA TRP A 49 -18.522 -8.479 0.107 1.00 0.00 C ATOM 768 C TRP A 49 -17.870 -8.916 1.423 1.00 0.00 C ATOM 769 O TRP A 49 -16.682 -9.176 1.481 1.00 0.00 O ATOM 770 CB TRP A 49 -18.981 -7.017 0.185 1.00 0.00 C ATOM 771 CG TRP A 49 -17.804 -6.123 0.423 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.596 -5.400 1.548 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.677 -5.845 -0.457 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.412 -4.697 1.414 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.810 -4.937 0.195 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.326 -6.288 -1.745 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.636 -4.485 -0.408 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.145 -5.834 -2.356 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.302 -4.934 -1.688 1.00 0.00 C ATOM 0 H TRP A 49 -20.635 -8.727 -0.094 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.780 -8.627 -0.678 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.481 -6.734 -0.741 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.707 -6.898 0.989 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.247 -5.376 2.409 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.030 -4.077 2.129 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -16.968 -6.981 -2.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.990 -3.793 0.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -14.885 -6.180 -3.345 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.396 -4.588 -2.163 1.00 0.00 H new ATOM 790 N LYS A 50 -18.640 -8.992 2.479 1.00 0.00 N ATOM 791 CA LYS A 50 -18.071 -9.407 3.799 1.00 0.00 C ATOM 792 C LYS A 50 -17.611 -10.867 3.749 1.00 0.00 C ATOM 793 O LYS A 50 -16.719 -11.268 4.473 1.00 0.00 O ATOM 794 CB LYS A 50 -19.215 -9.238 4.800 1.00 0.00 C ATOM 795 CG LYS A 50 -19.158 -7.836 5.408 1.00 0.00 C ATOM 796 CD LYS A 50 -20.415 -7.590 6.245 1.00 0.00 C ATOM 797 CE LYS A 50 -20.381 -8.476 7.492 1.00 0.00 C ATOM 798 NZ LYS A 50 -21.315 -7.826 8.452 1.00 0.00 N ATOM 0 H LYS A 50 -19.639 -8.785 2.485 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.200 -8.812 4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.173 -9.392 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.139 -9.990 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.269 -7.734 6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.082 -7.089 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.473 -6.540 6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.305 -7.808 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.697 -9.494 7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.374 -8.540 7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -21.345 -8.377 9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.986 -6.861 8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -22.267 -7.785 8.036 1.00 0.00 H new ATOM 812 N THR A 51 -18.211 -11.662 2.899 1.00 0.00 N ATOM 813 CA THR A 51 -17.811 -13.098 2.797 1.00 0.00 C ATOM 814 C THR A 51 -16.686 -13.267 1.771 1.00 0.00 C ATOM 815 O THR A 51 -15.890 -14.183 1.858 1.00 0.00 O ATOM 816 CB THR A 51 -19.071 -13.831 2.334 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.571 -13.210 1.158 1.00 0.00 O ATOM 818 CG2 THR A 51 -20.131 -13.772 3.435 1.00 0.00 C ATOM 0 H THR A 51 -18.962 -11.377 2.270 1.00 0.00 H new ATOM 0 HA THR A 51 -17.437 -13.487 3.744 1.00 0.00 H new ATOM 0 HB THR A 51 -18.830 -14.873 2.121 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.546 -13.133 1.218 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.029 -14.295 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.746 -14.248 4.337 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.375 -12.732 3.650 1.00 0.00 H new ATOM 826 N MET A 52 -16.615 -12.388 0.801 1.00 0.00 N ATOM 827 CA MET A 52 -15.540 -12.493 -0.236 1.00 0.00 C ATOM 828 C MET A 52 -14.159 -12.412 0.422 1.00 0.00 C ATOM 829 O MET A 52 -14.002 -11.836 1.482 1.00 0.00 O ATOM 830 CB MET A 52 -15.760 -11.301 -1.170 1.00 0.00 C ATOM 831 CG MET A 52 -16.719 -11.702 -2.292 1.00 0.00 C ATOM 832 SD MET A 52 -17.490 -10.218 -2.986 1.00 0.00 S ATOM 833 CE MET A 52 -16.021 -9.572 -3.823 1.00 0.00 C ATOM 0 H MET A 52 -17.255 -11.602 0.682 1.00 0.00 H new ATOM 0 HA MET A 52 -15.582 -13.440 -0.773 1.00 0.00 H new ATOM 0 HB2 MET A 52 -16.169 -10.459 -0.612 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.809 -10.974 -1.590 1.00 0.00 H new ATOM 0 HG2 MET A 52 -16.180 -12.242 -3.070 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.484 -12.376 -1.907 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.791 -8.578 -3.440 1.00 0.00 H new ATOM 0 HE2 MET A 52 -15.176 -10.236 -3.639 1.00 0.00 H new ATOM 0 HE3 MET A 52 -16.209 -9.513 -4.895 1.00 0.00 H new ATOM 843 N SER A 53 -13.161 -12.988 -0.198 1.00 0.00 N ATOM 844 CA SER A 53 -11.786 -12.953 0.386 1.00 0.00 C ATOM 845 C SER A 53 -10.939 -11.884 -0.310 1.00 0.00 C ATOM 846 O SER A 53 -11.407 -11.181 -1.186 1.00 0.00 O ATOM 847 CB SER A 53 -11.212 -14.344 0.127 1.00 0.00 C ATOM 848 OG SER A 53 -10.045 -14.524 0.918 1.00 0.00 O ATOM 0 H SER A 53 -13.239 -13.483 -1.087 1.00 0.00 H new ATOM 0 HA SER A 53 -11.795 -12.706 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.952 -15.107 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.971 -14.460 -0.930 1.00 0.00 H new ATOM 0 HG SER A 53 -9.674 -15.417 0.756 1.00 0.00 H new ATOM 854 N ALA A 54 -9.695 -11.762 0.077 1.00 0.00 N ATOM 855 CA ALA A 54 -8.802 -10.742 -0.554 1.00 0.00 C ATOM 856 C ALA A 54 -8.527 -11.095 -2.021 1.00 0.00 C ATOM 857 O ALA A 54 -8.165 -10.243 -2.811 1.00 0.00 O ATOM 858 CB ALA A 54 -7.506 -10.785 0.257 1.00 0.00 C ATOM 0 H ALA A 54 -9.257 -12.326 0.805 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.255 -9.751 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.799 -10.061 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.720 -10.541 1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.074 -11.784 0.200 1.00 0.00 H new ATOM 864 N LYS A 55 -8.697 -12.342 -2.392 1.00 0.00 N ATOM 865 CA LYS A 55 -8.445 -12.746 -3.810 1.00 0.00 C ATOM 866 C LYS A 55 -9.510 -12.136 -4.723 1.00 0.00 C ATOM 867 O LYS A 55 -9.265 -11.860 -5.881 1.00 0.00 O ATOM 868 CB LYS A 55 -8.541 -14.273 -3.820 1.00 0.00 C ATOM 869 CG LYS A 55 -7.346 -14.865 -3.071 1.00 0.00 C ATOM 870 CD LYS A 55 -7.687 -16.279 -2.599 1.00 0.00 C ATOM 871 CE LYS A 55 -7.693 -17.232 -3.797 1.00 0.00 C ATOM 872 NZ LYS A 55 -8.492 -18.406 -3.352 1.00 0.00 N ATOM 0 H LYS A 55 -8.999 -13.096 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.475 -12.402 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.472 -14.592 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.558 -14.640 -4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.472 -14.889 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.091 -14.237 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.959 -16.612 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.662 -16.285 -2.111 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.138 -16.761 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.680 -17.526 -4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.541 -19.104 -4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.041 -18.838 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.453 -18.097 -3.103 1.00 0.00 H new ATOM 886 N GLU A 56 -10.691 -11.924 -4.202 1.00 0.00 N ATOM 887 CA GLU A 56 -11.786 -11.332 -5.023 1.00 0.00 C ATOM 888 C GLU A 56 -11.961 -9.853 -4.673 1.00 0.00 C ATOM 889 O GLU A 56 -12.187 -9.024 -5.535 1.00 0.00 O ATOM 890 CB GLU A 56 -13.033 -12.126 -4.641 1.00 0.00 C ATOM 891 CG GLU A 56 -13.032 -13.459 -5.388 1.00 0.00 C ATOM 892 CD GLU A 56 -14.432 -14.073 -5.343 1.00 0.00 C ATOM 893 OE1 GLU A 56 -14.791 -14.608 -4.307 1.00 0.00 O ATOM 894 OE2 GLU A 56 -15.123 -13.997 -6.347 1.00 0.00 O ATOM 0 H GLU A 56 -10.944 -12.137 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.582 -11.384 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.052 -12.299 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.930 -11.558 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.723 -13.308 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.311 -14.140 -4.936 1.00 0.00 H new ATOM 901 N LYS A 57 -11.853 -9.522 -3.413 1.00 0.00 N ATOM 902 CA LYS A 57 -12.007 -8.095 -2.991 1.00 0.00 C ATOM 903 C LYS A 57 -10.812 -7.259 -3.470 1.00 0.00 C ATOM 904 O LYS A 57 -10.887 -6.046 -3.536 1.00 0.00 O ATOM 905 CB LYS A 57 -12.053 -8.133 -1.462 1.00 0.00 C ATOM 906 CG LYS A 57 -13.473 -8.472 -1.002 1.00 0.00 C ATOM 907 CD LYS A 57 -13.708 -7.897 0.397 1.00 0.00 C ATOM 908 CE LYS A 57 -12.895 -8.695 1.419 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.083 -7.973 2.707 1.00 0.00 N ATOM 0 H LYS A 57 -11.664 -10.178 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.901 -7.639 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.350 -8.876 -1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.748 -7.169 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.201 -8.062 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.615 -9.553 -0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.416 -6.847 0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.768 -7.940 0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.248 -9.724 1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.842 -8.737 1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.555 -8.461 3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.732 -6.999 2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.094 -7.955 2.950 1.00 0.00 H new ATOM 923 N SER A 58 -9.712 -7.895 -3.800 1.00 0.00 N ATOM 924 CA SER A 58 -8.513 -7.131 -4.271 1.00 0.00 C ATOM 925 C SER A 58 -8.851 -6.333 -5.535 1.00 0.00 C ATOM 926 O SER A 58 -8.288 -5.283 -5.782 1.00 0.00 O ATOM 927 CB SER A 58 -7.452 -8.189 -4.577 1.00 0.00 C ATOM 928 OG SER A 58 -8.063 -9.288 -5.242 1.00 0.00 O ATOM 0 H SER A 58 -9.593 -8.907 -3.764 1.00 0.00 H new ATOM 0 HA SER A 58 -8.169 -6.415 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.666 -7.763 -5.201 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.980 -8.525 -3.654 1.00 0.00 H new ATOM 0 HG SER A 58 -8.186 -10.026 -4.609 1.00 0.00 H new ATOM 934 N LYS A 59 -9.764 -6.826 -6.332 1.00 0.00 N ATOM 935 CA LYS A 59 -10.141 -6.100 -7.584 1.00 0.00 C ATOM 936 C LYS A 59 -10.836 -4.779 -7.242 1.00 0.00 C ATOM 937 O LYS A 59 -10.766 -3.821 -7.990 1.00 0.00 O ATOM 938 CB LYS A 59 -11.103 -7.034 -8.321 1.00 0.00 C ATOM 939 CG LYS A 59 -11.196 -6.615 -9.791 1.00 0.00 C ATOM 940 CD LYS A 59 -12.393 -7.307 -10.446 1.00 0.00 C ATOM 941 CE LYS A 59 -12.794 -6.543 -11.711 1.00 0.00 C ATOM 942 NZ LYS A 59 -13.492 -7.547 -12.561 1.00 0.00 N ATOM 0 H LYS A 59 -10.265 -7.700 -6.171 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.270 -5.855 -8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.755 -8.064 -8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.089 -6.997 -7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.303 -5.533 -9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.278 -6.881 -10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.139 -8.337 -10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.231 -7.345 -9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.447 -5.703 -11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.921 -6.134 -12.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.798 -7.098 -13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.844 -8.331 -12.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.323 -7.913 -12.054 1.00 0.00 H new ATOM 956 N PHE A 60 -11.503 -4.724 -6.119 1.00 0.00 N ATOM 957 CA PHE A 60 -12.206 -3.469 -5.718 1.00 0.00 C ATOM 958 C PHE A 60 -11.259 -2.557 -4.933 1.00 0.00 C ATOM 959 O PHE A 60 -11.394 -1.347 -4.949 1.00 0.00 O ATOM 960 CB PHE A 60 -13.365 -3.930 -4.832 1.00 0.00 C ATOM 961 CG PHE A 60 -14.434 -4.562 -5.691 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.356 -3.756 -6.369 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.504 -5.955 -5.808 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.347 -4.342 -7.164 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.495 -6.542 -6.604 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.417 -5.735 -7.281 1.00 0.00 C ATOM 0 H PHE A 60 -11.592 -5.497 -5.460 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.553 -2.898 -6.579 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.008 -4.646 -4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.777 -3.083 -4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.302 -2.681 -6.278 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.793 -6.577 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -17.058 -3.720 -7.687 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.548 -7.617 -6.696 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.183 -6.187 -7.894 1.00 0.00 H new ATOM 976 N GLU A 61 -10.302 -3.130 -4.247 1.00 0.00 N ATOM 977 CA GLU A 61 -9.340 -2.302 -3.457 1.00 0.00 C ATOM 978 C GLU A 61 -8.375 -1.572 -4.397 1.00 0.00 C ATOM 979 O GLU A 61 -7.880 -0.505 -4.083 1.00 0.00 O ATOM 980 CB GLU A 61 -8.580 -3.297 -2.577 1.00 0.00 C ATOM 981 CG GLU A 61 -9.450 -3.690 -1.382 1.00 0.00 C ATOM 982 CD GLU A 61 -8.600 -4.443 -0.357 1.00 0.00 C ATOM 983 OE1 GLU A 61 -7.642 -3.865 0.129 1.00 0.00 O ATOM 984 OE2 GLU A 61 -8.921 -5.586 -0.074 1.00 0.00 O ATOM 0 H GLU A 61 -10.145 -4.137 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.846 -1.540 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.316 -4.183 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.647 -2.853 -2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.884 -2.800 -0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.279 -4.316 -1.712 1.00 0.00 H new ATOM 991 N ASP A 62 -8.108 -2.140 -5.545 1.00 0.00 N ATOM 992 CA ASP A 62 -7.177 -1.486 -6.513 1.00 0.00 C ATOM 993 C ASP A 62 -7.912 -0.395 -7.299 1.00 0.00 C ATOM 994 O ASP A 62 -7.317 0.572 -7.736 1.00 0.00 O ATOM 995 CB ASP A 62 -6.722 -2.607 -7.448 1.00 0.00 C ATOM 996 CG ASP A 62 -5.420 -2.199 -8.140 1.00 0.00 C ATOM 997 OD1 ASP A 62 -5.498 -1.541 -9.164 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.368 -2.551 -7.634 1.00 0.00 O ATOM 0 H ASP A 62 -8.496 -3.031 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.335 -1.006 -6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.573 -3.527 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.493 -2.810 -8.191 1.00 0.00 H new ATOM 1003 N MET A 63 -9.200 -0.547 -7.479 1.00 0.00 N ATOM 1004 CA MET A 63 -9.981 0.478 -8.237 1.00 0.00 C ATOM 1005 C MET A 63 -10.226 1.709 -7.361 1.00 0.00 C ATOM 1006 O MET A 63 -10.305 2.822 -7.848 1.00 0.00 O ATOM 1007 CB MET A 63 -11.305 -0.204 -8.585 1.00 0.00 C ATOM 1008 CG MET A 63 -11.069 -1.256 -9.670 1.00 0.00 C ATOM 1009 SD MET A 63 -12.628 -2.092 -10.050 1.00 0.00 S ATOM 1010 CE MET A 63 -13.128 -1.028 -11.425 1.00 0.00 C ATOM 0 H MET A 63 -9.745 -1.337 -7.134 1.00 0.00 H new ATOM 0 HA MET A 63 -9.455 0.820 -9.128 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.730 -0.672 -7.697 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.027 0.535 -8.932 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.669 -0.785 -10.568 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.328 -1.981 -9.333 1.00 0.00 H new ATOM 0 HE1 MET A 63 -14.085 -1.369 -11.820 1.00 0.00 H new ATOM 0 HE2 MET A 63 -13.226 -0.001 -11.073 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.375 -1.072 -12.212 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.345 1.515 -6.071 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.584 2.671 -5.154 1.00 0.00 C ATOM 1022 C ALA A 64 -9.293 3.473 -4.970 1.00 0.00 C ATOM 1023 O ALA A 64 -9.310 4.688 -4.921 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.021 2.048 -3.827 1.00 0.00 C ATOM 0 H ALA A 64 -10.287 0.605 -5.613 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.334 3.358 -5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.215 2.837 -3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.929 1.465 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.231 1.397 -3.453 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.176 2.797 -4.870 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.875 3.514 -4.691 1.00 0.00 C ATOM 1032 C LYS A 65 -6.560 4.351 -5.933 1.00 0.00 C ATOM 1033 O LYS A 65 -5.910 5.376 -5.852 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.829 2.411 -4.508 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.489 3.038 -4.115 1.00 0.00 C ATOM 1036 CD LYS A 65 -4.546 3.487 -2.654 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.177 4.027 -2.232 1.00 0.00 C ATOM 1038 NZ LYS A 65 -3.443 4.833 -1.009 1.00 0.00 N ATOM 0 H LYS A 65 -8.108 1.780 -4.904 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.895 4.197 -3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.154 1.711 -3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.720 1.842 -5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.683 2.317 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.270 3.889 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.307 4.257 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.831 2.650 -2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.479 3.216 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.734 4.637 -3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.545 5.195 -0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.065 5.631 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.905 4.236 -0.294 1.00 0.00 H new ATOM 1052 N SER A 66 -7.019 3.919 -7.081 1.00 0.00 N ATOM 1053 CA SER A 66 -6.751 4.686 -8.337 1.00 0.00 C ATOM 1054 C SER A 66 -7.376 6.081 -8.245 1.00 0.00 C ATOM 1055 O SER A 66 -6.798 7.059 -8.683 1.00 0.00 O ATOM 1056 CB SER A 66 -7.411 3.877 -9.454 1.00 0.00 C ATOM 1057 OG SER A 66 -7.054 4.434 -10.712 1.00 0.00 O ATOM 0 H SER A 66 -7.568 3.068 -7.203 1.00 0.00 H new ATOM 0 HA SER A 66 -5.684 4.823 -8.514 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.093 2.836 -9.401 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.494 3.886 -9.334 1.00 0.00 H new ATOM 0 HG SER A 66 -7.474 3.916 -11.430 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.551 6.176 -7.676 1.00 0.00 N ATOM 1064 CA ASP A 67 -9.223 7.504 -7.548 1.00 0.00 C ATOM 1065 C ASP A 67 -8.700 8.243 -6.313 1.00 0.00 C ATOM 1066 O ASP A 67 -8.664 9.458 -6.276 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.710 7.183 -7.392 1.00 0.00 C ATOM 1068 CG ASP A 67 -11.299 6.810 -8.753 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -11.322 7.669 -9.621 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.716 5.674 -8.906 1.00 0.00 O ATOM 0 H ASP A 67 -9.075 5.389 -7.294 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.034 8.148 -8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.843 6.361 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.237 8.043 -6.980 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.292 7.513 -5.306 1.00 0.00 N ATOM 1076 CA LYS A 68 -7.767 8.164 -4.066 1.00 0.00 C ATOM 1077 C LYS A 68 -6.427 8.847 -4.358 1.00 0.00 C ATOM 1078 O LYS A 68 -6.072 9.829 -3.734 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.582 7.023 -3.059 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.071 7.470 -1.679 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.545 6.505 -0.615 1.00 0.00 C ATOM 1082 CE LYS A 68 -6.146 6.942 -0.174 1.00 0.00 C ATOM 1083 NZ LYS A 68 -5.663 5.847 0.713 1.00 0.00 N ATOM 0 H LYS A 68 -8.300 6.493 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.441 8.932 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.137 6.143 -3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.532 6.736 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.726 8.483 -1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.161 7.494 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.219 6.489 0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.512 5.491 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.486 7.076 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.178 7.894 0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.689 6.049 1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.278 5.780 1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.684 4.946 0.195 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.685 8.331 -5.306 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.365 8.943 -5.649 1.00 0.00 C ATOM 1099 C ALA A 69 -4.562 10.168 -6.550 1.00 0.00 C ATOM 1100 O ALA A 69 -3.734 11.058 -6.586 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.601 7.847 -6.395 1.00 0.00 C ATOM 0 H ALA A 69 -5.937 7.511 -5.858 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.829 9.285 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.618 8.220 -6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.485 6.979 -5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.155 7.561 -7.289 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.652 10.217 -7.277 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.906 11.386 -8.180 1.00 0.00 C ATOM 1109 C ARG A 70 -5.932 12.689 -7.374 1.00 0.00 C ATOM 1110 O ARG A 70 -5.623 13.750 -7.886 1.00 0.00 O ATOM 1111 CB ARG A 70 -7.277 11.120 -8.807 1.00 0.00 C ATOM 1112 CG ARG A 70 -7.553 12.162 -9.893 1.00 0.00 C ATOM 1113 CD ARG A 70 -8.898 11.861 -10.558 1.00 0.00 C ATOM 1114 NE ARG A 70 -9.256 13.111 -11.285 1.00 0.00 N ATOM 1115 CZ ARG A 70 -10.016 13.055 -12.344 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -9.498 12.766 -13.505 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -11.296 13.288 -12.240 1.00 0.00 N ATOM 0 H ARG A 70 -6.377 9.499 -7.285 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.126 11.494 -8.934 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.305 10.118 -9.234 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.053 11.162 -8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.566 13.161 -9.458 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.756 12.148 -10.637 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.820 11.015 -11.241 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.656 11.604 -9.818 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.907 14.011 -10.955 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.498 12.583 -13.586 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.093 12.722 -14.332 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.701 13.514 -11.332 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.891 13.245 -13.067 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.297 12.615 -6.120 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.344 13.848 -5.274 1.00 0.00 C ATOM 1133 C TYR A 71 -4.938 14.437 -5.123 1.00 0.00 C ATOM 1134 O TYR A 71 -4.772 15.633 -4.965 1.00 0.00 O ATOM 1135 CB TYR A 71 -6.881 13.390 -3.916 1.00 0.00 C ATOM 1136 CG TYR A 71 -7.269 14.595 -3.095 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -6.313 15.237 -2.299 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -8.585 15.070 -3.128 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -6.673 16.356 -1.538 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -8.945 16.189 -2.367 1.00 0.00 C ATOM 1141 CZ TYR A 71 -7.988 16.831 -1.572 1.00 0.00 C ATOM 1142 OH TYR A 71 -8.343 17.934 -0.821 1.00 0.00 O ATOM 0 H TYR A 71 -6.565 11.754 -5.644 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.971 14.623 -5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.744 12.739 -4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.124 12.808 -3.391 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.298 14.869 -2.272 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -9.323 14.573 -3.740 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.935 16.852 -0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.960 16.557 -2.393 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.293 18.132 -0.960 1.00 0.00 H new ATOM 1152 N ASP A 72 -3.929 13.605 -5.170 1.00 0.00 N ATOM 1153 CA ASP A 72 -2.529 14.107 -5.031 1.00 0.00 C ATOM 1154 C ASP A 72 -1.921 14.367 -6.411 1.00 0.00 C ATOM 1155 O ASP A 72 -0.796 13.993 -6.683 1.00 0.00 O ATOM 1156 CB ASP A 72 -1.776 12.985 -4.316 1.00 0.00 C ATOM 1157 CG ASP A 72 -2.139 12.992 -2.830 1.00 0.00 C ATOM 1158 OD1 ASP A 72 -3.274 12.671 -2.515 1.00 0.00 O ATOM 1159 OD2 ASP A 72 -1.276 13.319 -2.031 1.00 0.00 O ATOM 0 H ASP A 72 -4.015 12.597 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.480 15.047 -4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.031 12.022 -4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.701 13.118 -4.439 1.00 0.00 H new ATOM 1164 N ARG A 73 -2.660 15.006 -7.283 1.00 0.00 N ATOM 1165 CA ARG A 73 -2.134 15.295 -8.650 1.00 0.00 C ATOM 1166 C ARG A 73 -2.594 16.681 -9.111 1.00 0.00 C ATOM 1167 O ARG A 73 -1.792 17.523 -9.468 1.00 0.00 O ATOM 1168 CB ARG A 73 -2.733 14.207 -9.543 1.00 0.00 C ATOM 1169 CG ARG A 73 -1.849 12.959 -9.490 1.00 0.00 C ATOM 1170 CD ARG A 73 -2.491 11.844 -10.317 1.00 0.00 C ATOM 1171 NE ARG A 73 -1.359 10.966 -10.722 1.00 0.00 N ATOM 1172 CZ ARG A 73 -1.098 9.882 -10.044 1.00 0.00 C ATOM 1173 NH1 ARG A 73 -2.004 8.949 -9.932 1.00 0.00 N ATOM 1174 NH2 ARG A 73 0.068 9.731 -9.477 1.00 0.00 N ATOM 0 H ARG A 73 -3.607 15.340 -7.105 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.044 15.295 -8.682 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.743 13.965 -9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.812 14.566 -10.569 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.856 13.187 -9.877 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.722 12.634 -8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.228 11.293 -9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.010 12.246 -11.187 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.787 11.212 -11.530 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.915 9.067 -10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.801 8.101 -9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.776 10.461 -9.564 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.272 8.884 -8.947 1.00 0.00 H new ATOM 1188 N GLU A 74 -3.881 16.920 -9.105 1.00 0.00 N ATOM 1189 CA GLU A 74 -4.404 18.250 -9.540 1.00 0.00 C ATOM 1190 C GLU A 74 -4.076 19.317 -8.493 1.00 0.00 C ATOM 1191 O GLU A 74 -3.852 20.468 -8.818 1.00 0.00 O ATOM 1192 CB GLU A 74 -5.917 18.061 -9.656 1.00 0.00 C ATOM 1193 CG GLU A 74 -6.519 19.219 -10.450 1.00 0.00 C ATOM 1194 CD GLU A 74 -6.021 19.162 -11.896 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -6.509 18.326 -12.637 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -5.159 19.957 -12.236 1.00 0.00 O ATOM 0 H GLU A 74 -4.594 16.249 -8.817 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.960 18.581 -10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.139 17.115 -10.149 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.365 18.016 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.607 19.162 -10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.239 20.169 -9.995 1.00 0.00 H new ATOM 1203 N MET A 75 -4.047 18.941 -7.240 1.00 0.00 N ATOM 1204 CA MET A 75 -3.735 19.928 -6.163 1.00 0.00 C ATOM 1205 C MET A 75 -2.228 19.959 -5.895 1.00 0.00 C ATOM 1206 O MET A 75 -1.589 20.988 -6.022 1.00 0.00 O ATOM 1207 CB MET A 75 -4.488 19.421 -4.931 1.00 0.00 C ATOM 1208 CG MET A 75 -5.923 19.949 -4.959 1.00 0.00 C ATOM 1209 SD MET A 75 -5.949 21.661 -4.372 1.00 0.00 S ATOM 1210 CE MET A 75 -7.176 22.285 -5.546 1.00 0.00 C ATOM 0 H MET A 75 -4.226 17.991 -6.916 1.00 0.00 H new ATOM 0 HA MET A 75 -4.031 20.942 -6.433 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.490 18.331 -4.916 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.985 19.752 -4.022 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.322 19.895 -5.972 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.562 19.328 -4.331 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.195 23.374 -5.508 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.913 21.961 -6.553 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.160 21.896 -5.285 1.00 0.00 H new ATOM 1220 N LYS A 76 -1.659 18.841 -5.523 1.00 0.00 N ATOM 1221 CA LYS A 76 -0.193 18.796 -5.243 1.00 0.00 C ATOM 1222 C LYS A 76 0.530 17.998 -6.332 1.00 0.00 C ATOM 1223 O LYS A 76 0.220 16.848 -6.580 1.00 0.00 O ATOM 1224 CB LYS A 76 -0.071 18.090 -3.892 1.00 0.00 C ATOM 1225 CG LYS A 76 -0.538 19.032 -2.781 1.00 0.00 C ATOM 1226 CD LYS A 76 0.024 18.558 -1.439 1.00 0.00 C ATOM 1227 CE LYS A 76 -0.804 17.376 -0.929 1.00 0.00 C ATOM 1228 NZ LYS A 76 -0.140 16.962 0.339 1.00 0.00 N ATOM 0 H LYS A 76 -2.149 17.955 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 76 0.255 19.789 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.672 17.181 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.962 17.790 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.205 20.049 -2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.627 19.055 -2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.067 18.263 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.000 19.372 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.841 17.665 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.817 16.561 -1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.650 16.155 0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.843 16.686 0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.149 17.756 1.011 1.00 0.00 H new ATOM 1242 N ASN A 77 1.490 18.604 -6.983 1.00 0.00 N ATOM 1243 CA ASN A 77 2.241 17.890 -8.060 1.00 0.00 C ATOM 1244 C ASN A 77 3.584 17.388 -7.524 1.00 0.00 C ATOM 1245 O ASN A 77 3.985 16.303 -7.909 1.00 0.00 O ATOM 1246 CB ASN A 77 2.457 18.938 -9.153 1.00 0.00 C ATOM 1247 CG ASN A 77 2.851 18.241 -10.456 1.00 0.00 C ATOM 1248 OD1 ASN A 77 3.794 17.476 -10.488 1.00 0.00 O ATOM 1249 ND2 ASN A 77 2.164 18.476 -11.541 1.00 0.00 N ATOM 1250 OXT ASN A 77 4.189 18.099 -6.737 1.00 0.00 O ATOM 0 H ASN A 77 1.787 19.565 -6.815 1.00 0.00 H new ATOM 0 HA ASN A 77 1.702 17.018 -8.432 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.547 19.519 -9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.237 19.638 -8.852 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.419 18.017 -12.416 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.372 19.118 -11.514 1.00 0.00 H new TER 1257 ASN A 77