USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 NoAdj-H: A 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 75 ASN : amide:sc= -5! C(o=-11!,f=-16!) USER MOD Set 1.2: A 77 THR OG1 : rot 87:sc= -5.69! USER MOD Set 2.1: A 61 SER OG : rot 133:sc= 0.0378 USER MOD Set 2.2: A 73 THR OG1 : rot 121:sc= 0.697 USER MOD Set 3.1: A 31 GLN : amide:sc= -9.16! C(o=-13!,f=-12!) USER MOD Set 3.2: A 32 SER OG : rot 180:sc= -3.38! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0326 (180deg=-0.203) USER MOD Single : A 4 SER OG : rot 160:sc= -1.64! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= -2.99! (180deg=-3.55!) USER MOD Single : A 25 LYS NZ :NH3+ -124:sc= -3.82! (180deg=-12.7!) USER MOD Single : A 26 SER OG : rot -49:sc= -0.696 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.03! USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -2.57 K(o=-2.6,f=-7!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -159:sc= -1.79 USER MOD Single : A 62 THR OG1 : rot -77:sc= 0.612 USER MOD Single : A 66 GLN : amide:sc= -0.865 K(o=-0.87,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= -0.143 (180deg=-0.86) USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= 1.22 (180deg=-0.449) USER MOD Single : A 71 ASN : amide:sc= -6.89! C(o=-6.9!,f=-5.4!) USER MOD Single : A 78 THR OG1 : rot -110:sc= -1.91! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 1.08 K(o=1.1,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.086 -8.357 3.894 1.00 0.00 N ATOM 2 CA MET A 1 16.708 -7.159 4.694 1.00 0.00 C ATOM 3 C MET A 1 16.845 -5.904 3.827 1.00 0.00 C ATOM 4 O MET A 1 17.058 -4.815 4.322 1.00 0.00 O ATOM 5 CB MET A 1 17.632 -7.047 5.911 1.00 0.00 C ATOM 6 CG MET A 1 16.965 -6.190 6.990 1.00 0.00 C ATOM 7 SD MET A 1 15.732 -7.179 7.870 1.00 0.00 S ATOM 8 CE MET A 1 14.811 -5.800 8.597 1.00 0.00 C ATOM 0 H1 MET A 1 17.191 -9.177 4.525 1.00 0.00 H new ATOM 0 H2 MET A 1 16.345 -8.553 3.192 1.00 0.00 H new ATOM 0 H3 MET A 1 17.987 -8.178 3.406 1.00 0.00 H new ATOM 0 HA MET A 1 15.676 -7.255 5.031 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.851 -8.039 6.305 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.583 -6.603 5.617 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.714 -5.818 7.689 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.492 -5.319 6.537 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.986 -6.188 9.195 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.475 -5.214 9.232 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.417 -5.167 7.802 1.00 0.00 H new ATOM 18 N GLY A 2 16.727 -6.049 2.535 1.00 0.00 N ATOM 19 CA GLY A 2 16.852 -4.866 1.636 1.00 0.00 C ATOM 20 C GLY A 2 18.086 -4.052 2.029 1.00 0.00 C ATOM 21 O GLY A 2 19.197 -4.377 1.661 1.00 0.00 O ATOM 0 H GLY A 2 16.549 -6.936 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 2 16.934 -5.192 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 2 15.958 -4.247 1.706 1.00 0.00 H new ATOM 25 N ASP A 3 17.902 -2.995 2.774 1.00 0.00 N ATOM 26 CA ASP A 3 19.070 -2.165 3.187 1.00 0.00 C ATOM 27 C ASP A 3 18.628 -1.130 4.224 1.00 0.00 C ATOM 28 O ASP A 3 18.933 -1.241 5.395 1.00 0.00 O ATOM 29 CB ASP A 3 19.643 -1.445 1.964 1.00 0.00 C ATOM 30 CG ASP A 3 20.999 -0.833 2.319 1.00 0.00 C ATOM 31 OD1 ASP A 3 21.019 0.094 3.114 1.00 0.00 O ATOM 32 OD2 ASP A 3 21.995 -1.301 1.793 1.00 0.00 O ATOM 0 H ASP A 3 16.996 -2.671 3.113 1.00 0.00 H new ATOM 0 HA ASP A 3 19.833 -2.810 3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 3 19.754 -2.145 1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 3 18.956 -0.666 1.633 1.00 0.00 H new ATOM 37 N SER A 4 17.914 -0.122 3.803 1.00 0.00 N ATOM 38 CA SER A 4 17.456 0.923 4.761 1.00 0.00 C ATOM 39 C SER A 4 16.660 0.269 5.894 1.00 0.00 C ATOM 40 O SER A 4 16.700 -0.931 6.084 1.00 0.00 O ATOM 41 CB SER A 4 16.568 1.934 4.025 1.00 0.00 C ATOM 42 OG SER A 4 15.221 1.784 4.454 1.00 0.00 O ATOM 0 H SER A 4 17.628 0.023 2.835 1.00 0.00 H new ATOM 0 HA SER A 4 18.322 1.436 5.180 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.913 2.949 4.223 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.637 1.779 2.948 1.00 0.00 H new ATOM 0 HG SER A 4 14.720 2.601 4.249 1.00 0.00 H new ATOM 48 N ARG A 5 15.939 1.055 6.646 1.00 0.00 N ATOM 49 CA ARG A 5 15.130 0.498 7.771 1.00 0.00 C ATOM 50 C ARG A 5 13.647 0.603 7.411 1.00 0.00 C ATOM 51 O ARG A 5 12.888 -0.331 7.571 1.00 0.00 O ATOM 52 CB ARG A 5 15.409 1.302 9.052 1.00 0.00 C ATOM 53 CG ARG A 5 16.708 2.095 8.890 1.00 0.00 C ATOM 54 CD ARG A 5 16.987 2.886 10.171 1.00 0.00 C ATOM 55 NE ARG A 5 15.865 3.833 10.422 1.00 0.00 N ATOM 56 CZ ARG A 5 15.714 4.882 9.661 1.00 0.00 C ATOM 57 NH1 ARG A 5 14.728 5.709 9.876 1.00 0.00 N ATOM 58 NH2 ARG A 5 16.552 5.107 8.686 1.00 0.00 N ATOM 0 H ARG A 5 15.874 2.066 6.530 1.00 0.00 H new ATOM 0 HA ARG A 5 15.397 -0.545 7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.580 1.980 9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.486 0.629 9.906 1.00 0.00 H new ATOM 0 HG2 ARG A 5 17.536 1.418 8.680 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.629 2.774 8.041 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.098 2.205 11.015 1.00 0.00 H new ATOM 0 HD3 ARG A 5 17.925 3.433 10.077 1.00 0.00 H new ATOM 0 HE ARG A 5 15.215 3.661 11.189 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.074 5.536 10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.611 6.529 9.280 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.325 4.463 8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.434 5.927 8.091 1.00 0.00 H new ATOM 72 N ASP A 6 13.236 1.740 6.922 1.00 0.00 N ATOM 73 CA ASP A 6 11.807 1.922 6.544 1.00 0.00 C ATOM 74 C ASP A 6 11.506 1.095 5.290 1.00 0.00 C ATOM 75 O ASP A 6 10.401 0.635 5.089 1.00 0.00 O ATOM 76 CB ASP A 6 11.549 3.409 6.261 1.00 0.00 C ATOM 77 CG ASP A 6 10.269 3.861 6.970 1.00 0.00 C ATOM 78 OD1 ASP A 6 10.205 5.019 7.351 1.00 0.00 O ATOM 79 OD2 ASP A 6 9.377 3.043 7.122 1.00 0.00 O ATOM 0 H ASP A 6 13.831 2.554 6.767 1.00 0.00 H new ATOM 0 HA ASP A 6 11.161 1.590 7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.395 4.005 6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.458 3.573 5.187 1.00 0.00 H new ATOM 84 N LEU A 7 12.481 0.909 4.443 1.00 0.00 N ATOM 85 CA LEU A 7 12.246 0.119 3.202 1.00 0.00 C ATOM 86 C LEU A 7 11.953 -1.343 3.575 1.00 0.00 C ATOM 87 O LEU A 7 12.313 -1.805 4.639 1.00 0.00 O ATOM 88 CB LEU A 7 13.481 0.251 2.276 1.00 0.00 C ATOM 89 CG LEU A 7 14.431 -0.965 2.367 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.757 -1.305 3.831 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.811 -2.184 1.660 1.00 0.00 C ATOM 0 H LEU A 7 13.428 1.269 4.556 1.00 0.00 H new ATOM 0 HA LEU A 7 11.380 0.499 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.146 0.368 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.030 1.156 2.537 1.00 0.00 H new ATOM 0 HG LEU A 7 15.363 -0.703 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.427 -2.164 3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.240 -0.450 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.836 -1.542 4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.492 -3.032 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.864 -2.437 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.638 -1.947 0.610 1.00 0.00 H new ATOM 103 N CYS A 8 11.289 -2.068 2.709 1.00 0.00 N ATOM 104 CA CYS A 8 10.958 -3.498 3.003 1.00 0.00 C ATOM 105 C CYS A 8 11.498 -4.378 1.867 1.00 0.00 C ATOM 106 O CYS A 8 11.756 -3.910 0.778 1.00 0.00 O ATOM 107 CB CYS A 8 9.428 -3.671 3.131 1.00 0.00 C ATOM 108 SG CYS A 8 8.829 -4.911 1.938 1.00 0.00 S ATOM 0 H CYS A 8 10.960 -1.729 1.805 1.00 0.00 H new ATOM 0 HA CYS A 8 11.419 -3.796 3.945 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.174 -3.980 4.145 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.931 -2.717 2.954 1.00 0.00 H new ATOM 113 N PRO A 9 11.677 -5.644 2.124 1.00 0.00 N ATOM 114 CA PRO A 9 12.201 -6.616 1.114 1.00 0.00 C ATOM 115 C PRO A 9 11.357 -6.613 -0.162 1.00 0.00 C ATOM 116 O PRO A 9 11.847 -6.393 -1.252 1.00 0.00 O ATOM 117 CB PRO A 9 12.080 -7.976 1.826 1.00 0.00 C ATOM 118 CG PRO A 9 11.115 -7.737 2.939 1.00 0.00 C ATOM 119 CD PRO A 9 11.384 -6.311 3.395 1.00 0.00 C ATOM 0 HA PRO A 9 13.217 -6.376 0.800 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.718 -8.748 1.147 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.045 -8.312 2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.086 -7.856 2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.267 -8.447 3.752 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.522 -5.873 3.898 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.222 -6.254 4.090 1.00 0.00 H new ATOM 127 N HIS A 10 10.087 -6.853 -0.019 1.00 0.00 N ATOM 128 CA HIS A 10 9.180 -6.867 -1.206 1.00 0.00 C ATOM 129 C HIS A 10 8.916 -5.429 -1.650 1.00 0.00 C ATOM 130 O HIS A 10 8.221 -5.182 -2.614 1.00 0.00 O ATOM 131 CB HIS A 10 7.854 -7.556 -0.838 1.00 0.00 C ATOM 132 CG HIS A 10 8.122 -8.655 0.151 1.00 0.00 C ATOM 133 ND1 HIS A 10 8.172 -8.434 1.527 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.358 -9.997 -0.025 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.430 -9.623 2.108 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.551 -10.600 1.210 1.00 0.00 N ATOM 0 H HIS A 10 9.631 -7.042 0.874 1.00 0.00 H new ATOM 0 HA HIS A 10 9.649 -7.418 -2.021 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.160 -6.831 -0.414 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.382 -7.963 -1.732 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.389 -10.505 -0.978 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.527 -9.766 3.174 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.745 -11.585 1.392 1.00 0.00 H new ATOM 144 N LEU A 11 9.471 -4.481 -0.949 1.00 0.00 N ATOM 145 CA LEU A 11 9.262 -3.053 -1.316 1.00 0.00 C ATOM 146 C LEU A 11 10.020 -2.741 -2.608 1.00 0.00 C ATOM 147 O LEU A 11 9.674 -1.834 -3.339 1.00 0.00 O ATOM 148 CB LEU A 11 9.783 -2.173 -0.177 1.00 0.00 C ATOM 149 CG LEU A 11 9.243 -0.738 -0.312 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.904 -0.176 1.073 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.303 0.150 -0.976 1.00 0.00 C ATOM 0 H LEU A 11 10.064 -4.635 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 11 8.202 -2.857 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.480 -2.593 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.873 -2.160 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 11 8.342 -0.753 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.522 0.840 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.146 -0.802 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.802 -0.165 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.919 1.166 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.205 0.159 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.539 -0.243 -1.965 1.00 0.00 H new ATOM 163 N ASP A 12 11.046 -3.488 -2.897 1.00 0.00 N ATOM 164 CA ASP A 12 11.824 -3.242 -4.143 1.00 0.00 C ATOM 165 C ASP A 12 11.191 -4.024 -5.295 1.00 0.00 C ATOM 166 O ASP A 12 11.402 -3.726 -6.455 1.00 0.00 O ATOM 167 CB ASP A 12 13.262 -3.717 -3.940 1.00 0.00 C ATOM 168 CG ASP A 12 14.030 -3.603 -5.258 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.634 -2.566 -5.481 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.004 -4.554 -6.022 1.00 0.00 O ATOM 0 H ASP A 12 11.381 -4.261 -2.323 1.00 0.00 H new ATOM 0 HA ASP A 12 11.819 -2.177 -4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.749 -3.118 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.269 -4.750 -3.591 1.00 0.00 H new ATOM 175 N SER A 13 10.422 -5.031 -4.983 1.00 0.00 N ATOM 176 CA SER A 13 9.781 -5.846 -6.054 1.00 0.00 C ATOM 177 C SER A 13 8.519 -5.145 -6.569 1.00 0.00 C ATOM 178 O SER A 13 8.081 -5.381 -7.677 1.00 0.00 O ATOM 179 CB SER A 13 9.403 -7.215 -5.485 1.00 0.00 C ATOM 180 OG SER A 13 9.047 -8.085 -6.552 1.00 0.00 O ATOM 0 H SER A 13 10.209 -5.325 -4.030 1.00 0.00 H new ATOM 0 HA SER A 13 10.482 -5.966 -6.880 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.239 -7.632 -4.924 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.570 -7.115 -4.789 1.00 0.00 H new ATOM 0 HG SER A 13 8.806 -8.964 -6.191 1.00 0.00 H new ATOM 186 N ILE A 14 7.927 -4.292 -5.779 1.00 0.00 N ATOM 187 CA ILE A 14 6.691 -3.591 -6.234 1.00 0.00 C ATOM 188 C ILE A 14 7.061 -2.422 -7.155 1.00 0.00 C ATOM 189 O ILE A 14 6.205 -1.802 -7.755 1.00 0.00 O ATOM 190 CB ILE A 14 5.937 -3.054 -5.021 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.879 -2.198 -4.172 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.421 -4.226 -4.182 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.066 -1.382 -3.163 1.00 0.00 C ATOM 0 H ILE A 14 8.244 -4.050 -4.840 1.00 0.00 H new ATOM 0 HA ILE A 14 6.062 -4.295 -6.779 1.00 0.00 H new ATOM 0 HB ILE A 14 5.096 -2.447 -5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.592 -2.835 -3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.457 -1.531 -4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.882 -3.843 -3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.750 -4.838 -4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.263 -4.832 -3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.740 -0.773 -2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.370 -0.734 -3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.508 -2.057 -2.514 1.00 0.00 H new ATOM 205 N GLY A 15 8.323 -2.115 -7.270 1.00 0.00 N ATOM 206 CA GLY A 15 8.737 -0.986 -8.154 1.00 0.00 C ATOM 207 C GLY A 15 8.004 0.293 -7.738 1.00 0.00 C ATOM 208 O GLY A 15 7.750 0.522 -6.572 1.00 0.00 O ATOM 0 H GLY A 15 9.085 -2.595 -6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.815 -0.836 -8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.511 -1.224 -9.193 1.00 0.00 H new ATOM 212 N GLU A 16 7.663 1.129 -8.685 1.00 0.00 N ATOM 213 CA GLU A 16 6.947 2.398 -8.351 1.00 0.00 C ATOM 214 C GLU A 16 5.810 2.619 -9.351 1.00 0.00 C ATOM 215 O GLU A 16 6.015 3.123 -10.437 1.00 0.00 O ATOM 216 CB GLU A 16 7.931 3.575 -8.425 1.00 0.00 C ATOM 217 CG GLU A 16 7.174 4.912 -8.365 1.00 0.00 C ATOM 218 CD GLU A 16 6.099 4.854 -7.277 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.384 5.272 -6.166 1.00 0.00 O ATOM 220 OE2 GLU A 16 5.008 4.395 -7.574 1.00 0.00 O ATOM 0 H GLU A 16 7.850 0.987 -9.678 1.00 0.00 H new ATOM 0 HA GLU A 16 6.537 2.331 -7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.642 3.515 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.508 3.518 -9.348 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.870 5.725 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.715 5.124 -9.331 1.00 0.00 H new ATOM 227 N VAL A 17 4.611 2.252 -8.991 1.00 0.00 N ATOM 228 CA VAL A 17 3.463 2.448 -9.920 1.00 0.00 C ATOM 229 C VAL A 17 3.268 3.945 -10.160 1.00 0.00 C ATOM 230 O VAL A 17 4.081 4.755 -9.761 1.00 0.00 O ATOM 231 CB VAL A 17 2.194 1.860 -9.301 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.331 0.340 -9.202 1.00 0.00 C ATOM 233 CG2 VAL A 17 1.993 2.447 -7.903 1.00 0.00 C ATOM 0 H VAL A 17 4.377 1.825 -8.095 1.00 0.00 H new ATOM 0 HA VAL A 17 3.666 1.945 -10.866 1.00 0.00 H new ATOM 0 HB VAL A 17 1.336 2.106 -9.926 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.427 -0.079 -8.761 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.476 -0.078 -10.198 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.188 0.092 -8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.089 2.029 -7.460 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.851 2.200 -7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.895 3.530 -7.974 1.00 0.00 H new ATOM 243 N THR A 18 2.203 4.324 -10.809 1.00 0.00 N ATOM 244 CA THR A 18 1.976 5.772 -11.064 1.00 0.00 C ATOM 245 C THR A 18 1.715 6.484 -9.738 1.00 0.00 C ATOM 246 O THR A 18 0.888 6.074 -8.951 1.00 0.00 O ATOM 247 CB THR A 18 0.760 5.937 -11.993 1.00 0.00 C ATOM 248 OG1 THR A 18 0.147 4.670 -12.191 1.00 0.00 O ATOM 249 CG2 THR A 18 1.209 6.498 -13.345 1.00 0.00 C ATOM 0 H THR A 18 1.484 3.698 -11.172 1.00 0.00 H new ATOM 0 HA THR A 18 2.856 6.207 -11.538 1.00 0.00 H new ATOM 0 HB THR A 18 0.049 6.626 -11.537 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.629 4.771 -12.781 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.343 6.612 -13.997 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.682 7.469 -13.197 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.922 5.813 -13.805 1.00 0.00 H new ATOM 257 N LYS A 19 2.395 7.567 -9.499 1.00 0.00 N ATOM 258 CA LYS A 19 2.167 8.327 -8.240 1.00 0.00 C ATOM 259 C LYS A 19 0.677 8.623 -8.153 1.00 0.00 C ATOM 260 O LYS A 19 -0.006 8.192 -7.246 1.00 0.00 O ATOM 261 CB LYS A 19 2.950 9.641 -8.292 1.00 0.00 C ATOM 262 CG LYS A 19 3.072 10.111 -9.754 1.00 0.00 C ATOM 263 CD LYS A 19 4.543 10.074 -10.198 1.00 0.00 C ATOM 264 CE LYS A 19 5.012 8.616 -10.309 1.00 0.00 C ATOM 265 NZ LYS A 19 4.447 8.005 -11.546 1.00 0.00 N ATOM 0 H LYS A 19 3.101 7.960 -10.122 1.00 0.00 H new ATOM 0 HA LYS A 19 2.498 7.755 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.445 10.401 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.941 9.503 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.472 9.471 -10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.679 11.123 -9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.656 10.577 -11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.163 10.612 -9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.101 8.574 -10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.692 8.052 -9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.606 6.977 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.426 8.197 -11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.915 8.414 -12.380 1.00 0.00 H new ATOM 279 N GLU A 20 0.168 9.337 -9.119 1.00 0.00 N ATOM 280 CA GLU A 20 -1.279 9.647 -9.147 1.00 0.00 C ATOM 281 C GLU A 20 -2.036 8.387 -8.750 1.00 0.00 C ATOM 282 O GLU A 20 -3.015 8.432 -8.040 1.00 0.00 O ATOM 283 CB GLU A 20 -1.661 10.081 -10.563 1.00 0.00 C ATOM 284 CG GLU A 20 -3.178 9.937 -10.799 1.00 0.00 C ATOM 285 CD GLU A 20 -3.434 8.911 -11.908 1.00 0.00 C ATOM 286 OE1 GLU A 20 -4.275 9.176 -12.750 1.00 0.00 O ATOM 287 OE2 GLU A 20 -2.784 7.878 -11.895 1.00 0.00 O ATOM 0 H GLU A 20 0.704 9.721 -9.897 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.526 10.453 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.362 11.117 -10.722 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.118 9.477 -11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.671 9.623 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.606 10.901 -11.076 1.00 0.00 H new ATOM 294 N ASP A 21 -1.569 7.254 -9.186 1.00 0.00 N ATOM 295 CA ASP A 21 -2.255 5.987 -8.808 1.00 0.00 C ATOM 296 C ASP A 21 -2.474 5.999 -7.297 1.00 0.00 C ATOM 297 O ASP A 21 -3.523 5.641 -6.805 1.00 0.00 O ATOM 298 CB ASP A 21 -1.391 4.781 -9.205 1.00 0.00 C ATOM 299 CG ASP A 21 -2.281 3.555 -9.436 1.00 0.00 C ATOM 300 OD1 ASP A 21 -1.738 2.502 -9.728 1.00 0.00 O ATOM 301 OD2 ASP A 21 -3.487 3.690 -9.317 1.00 0.00 O ATOM 0 H ASP A 21 -0.749 7.148 -9.783 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.210 5.908 -9.326 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.828 5.008 -10.110 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.663 4.570 -8.421 1.00 0.00 H new ATOM 306 N LEU A 22 -1.493 6.444 -6.562 1.00 0.00 N ATOM 307 CA LEU A 22 -1.641 6.515 -5.083 1.00 0.00 C ATOM 308 C LEU A 22 -2.557 7.685 -4.749 1.00 0.00 C ATOM 309 O LEU A 22 -3.157 7.746 -3.695 1.00 0.00 O ATOM 310 CB LEU A 22 -0.270 6.727 -4.435 1.00 0.00 C ATOM 311 CG LEU A 22 0.471 5.391 -4.352 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.613 4.795 -5.753 1.00 0.00 C ATOM 313 CD2 LEU A 22 1.862 5.619 -3.753 1.00 0.00 C ATOM 0 H LEU A 22 -0.594 6.762 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.066 5.586 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.312 7.441 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.390 7.151 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.092 4.703 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.141 3.843 -5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.376 4.634 -6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.175 5.482 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.392 4.669 -3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.422 6.308 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.763 6.043 -2.754 1.00 0.00 H new ATOM 325 N LEU A 23 -2.667 8.609 -5.653 1.00 0.00 N ATOM 326 CA LEU A 23 -3.541 9.784 -5.426 1.00 0.00 C ATOM 327 C LEU A 23 -4.991 9.379 -5.695 1.00 0.00 C ATOM 328 O LEU A 23 -5.836 9.502 -4.831 1.00 0.00 O ATOM 329 CB LEU A 23 -3.090 10.902 -6.373 1.00 0.00 C ATOM 330 CG LEU A 23 -1.582 11.152 -6.177 1.00 0.00 C ATOM 331 CD1 LEU A 23 -1.162 12.413 -6.949 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.274 11.349 -4.685 1.00 0.00 C ATOM 0 H LEU A 23 -2.183 8.600 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.471 10.140 -4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.294 10.624 -7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.652 11.814 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.029 10.291 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.095 12.587 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.371 12.276 -8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.722 13.271 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.206 11.525 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.832 12.206 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.565 10.456 -4.132 1.00 0.00 H new ATOM 344 N LEU A 24 -5.299 8.870 -6.860 1.00 0.00 N ATOM 345 CA LEU A 24 -6.701 8.445 -7.096 1.00 0.00 C ATOM 346 C LEU A 24 -7.042 7.388 -6.062 1.00 0.00 C ATOM 347 O LEU A 24 -8.090 7.429 -5.469 1.00 0.00 O ATOM 348 CB LEU A 24 -6.895 7.876 -8.506 1.00 0.00 C ATOM 349 CG LEU A 24 -5.998 6.651 -8.742 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.801 5.363 -8.519 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.491 6.671 -10.189 1.00 0.00 C ATOM 0 H LEU A 24 -4.654 8.734 -7.639 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.358 9.310 -7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.939 7.597 -8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.667 8.644 -9.245 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.160 6.683 -8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.158 4.499 -8.688 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.176 5.341 -7.496 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.640 5.332 -9.214 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.854 5.804 -10.363 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.340 6.641 -10.872 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.919 7.583 -10.361 1.00 0.00 H new ATOM 363 N LYS A 25 -6.156 6.457 -5.811 1.00 0.00 N ATOM 364 CA LYS A 25 -6.458 5.431 -4.775 1.00 0.00 C ATOM 365 C LYS A 25 -6.966 6.174 -3.537 1.00 0.00 C ATOM 366 O LYS A 25 -7.950 5.804 -2.928 1.00 0.00 O ATOM 367 CB LYS A 25 -5.185 4.645 -4.440 1.00 0.00 C ATOM 368 CG LYS A 25 -4.942 3.575 -5.514 1.00 0.00 C ATOM 369 CD LYS A 25 -3.507 3.047 -5.411 1.00 0.00 C ATOM 370 CE LYS A 25 -3.391 1.725 -6.174 1.00 0.00 C ATOM 371 NZ LYS A 25 -3.598 1.973 -7.628 1.00 0.00 N ATOM 0 H LYS A 25 -5.251 6.365 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.208 4.724 -5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.332 5.321 -4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.282 4.176 -3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.650 2.755 -5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.113 3.996 -6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.810 3.778 -5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.237 2.900 -4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.410 1.280 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.131 1.014 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.373 1.373 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.840 2.973 -7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.726 1.746 -8.147 1.00 0.00 H new ATOM 385 N SER A 26 -6.307 7.246 -3.193 1.00 0.00 N ATOM 386 CA SER A 26 -6.732 8.069 -2.031 1.00 0.00 C ATOM 387 C SER A 26 -8.045 8.780 -2.384 1.00 0.00 C ATOM 388 O SER A 26 -8.471 9.691 -1.702 1.00 0.00 O ATOM 389 CB SER A 26 -5.651 9.120 -1.747 1.00 0.00 C ATOM 390 OG SER A 26 -5.755 9.552 -0.397 1.00 0.00 O ATOM 0 H SER A 26 -5.478 7.590 -3.678 1.00 0.00 H new ATOM 0 HA SER A 26 -6.875 7.438 -1.154 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.662 8.699 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.767 9.968 -2.422 1.00 0.00 H new ATOM 0 HG SER A 26 -6.687 9.781 -0.198 1.00 0.00 H new ATOM 396 N LYS A 27 -8.671 8.399 -3.471 1.00 0.00 N ATOM 397 CA LYS A 27 -9.928 9.086 -3.886 1.00 0.00 C ATOM 398 C LYS A 27 -10.886 9.214 -2.696 1.00 0.00 C ATOM 399 O LYS A 27 -11.381 10.288 -2.421 1.00 0.00 O ATOM 400 CB LYS A 27 -10.611 8.330 -5.039 1.00 0.00 C ATOM 401 CG LYS A 27 -10.472 6.808 -4.860 1.00 0.00 C ATOM 402 CD LYS A 27 -11.758 6.117 -5.317 1.00 0.00 C ATOM 403 CE LYS A 27 -11.934 6.331 -6.821 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.168 5.635 -7.282 1.00 0.00 N ATOM 0 H LYS A 27 -8.365 7.644 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.668 10.085 -4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.666 8.600 -5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.167 8.630 -5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.624 6.440 -5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.272 6.572 -3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.713 5.052 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.614 6.521 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.001 7.396 -7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.066 5.948 -7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.287 5.781 -8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.087 4.617 -7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.993 6.021 -6.779 1.00 0.00 H new ATOM 418 N GLY A 28 -11.149 8.154 -1.970 1.00 0.00 N ATOM 419 CA GLY A 28 -12.064 8.289 -0.803 1.00 0.00 C ATOM 420 C GLY A 28 -12.983 7.077 -0.689 1.00 0.00 C ATOM 421 O GLY A 28 -13.910 7.081 0.091 1.00 0.00 O ATOM 0 H GLY A 28 -10.776 7.219 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.480 8.395 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.661 9.195 -0.907 1.00 0.00 H new ATOM 425 N THR A 29 -12.755 6.041 -1.451 1.00 0.00 N ATOM 426 CA THR A 29 -13.655 4.857 -1.351 1.00 0.00 C ATOM 427 C THR A 29 -12.951 3.581 -1.820 1.00 0.00 C ATOM 428 O THR A 29 -12.218 3.580 -2.789 1.00 0.00 O ATOM 429 CB THR A 29 -14.884 5.060 -2.241 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.583 4.628 -3.560 1.00 0.00 O ATOM 431 CG2 THR A 29 -15.304 6.534 -2.277 1.00 0.00 C ATOM 0 H THR A 29 -11.996 5.963 -2.128 1.00 0.00 H new ATOM 0 HA THR A 29 -13.941 4.755 -0.304 1.00 0.00 H new ATOM 0 HB THR A 29 -15.707 4.477 -1.829 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.368 4.755 -4.133 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.179 6.647 -2.917 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.546 6.868 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.486 7.136 -2.672 1.00 0.00 H new ATOM 439 N CYS A 30 -13.210 2.482 -1.159 1.00 0.00 N ATOM 440 CA CYS A 30 -12.603 1.185 -1.588 1.00 0.00 C ATOM 441 C CYS A 30 -13.132 0.866 -2.989 1.00 0.00 C ATOM 442 O CYS A 30 -14.319 0.898 -3.231 1.00 0.00 O ATOM 443 CB CYS A 30 -13.016 0.065 -0.617 1.00 0.00 C ATOM 444 SG CYS A 30 -12.537 -1.551 -1.296 1.00 0.00 S ATOM 0 H CYS A 30 -13.816 2.426 -0.340 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.515 1.258 -1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.540 0.218 0.352 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.093 0.095 -0.451 1.00 0.00 H new ATOM 449 N GLN A 31 -12.273 0.579 -3.922 1.00 0.00 N ATOM 450 CA GLN A 31 -12.767 0.283 -5.299 1.00 0.00 C ATOM 451 C GLN A 31 -13.537 -1.038 -5.302 1.00 0.00 C ATOM 452 O GLN A 31 -14.161 -1.397 -6.281 1.00 0.00 O ATOM 453 CB GLN A 31 -11.598 0.207 -6.288 1.00 0.00 C ATOM 454 CG GLN A 31 -10.652 -0.944 -5.922 1.00 0.00 C ATOM 455 CD GLN A 31 -11.203 -2.265 -6.462 1.00 0.00 C ATOM 456 OE1 GLN A 31 -12.197 -2.284 -7.161 1.00 0.00 O ATOM 457 NE2 GLN A 31 -10.590 -3.380 -6.171 1.00 0.00 N ATOM 0 H GLN A 31 -11.262 0.536 -3.798 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.432 1.089 -5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.979 0.063 -7.299 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.050 1.149 -6.285 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.661 -0.757 -6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.539 -1.003 -4.839 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.756 -3.365 -5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.945 -4.266 -6.530 1.00 0.00 H new ATOM 466 N SER A 32 -13.508 -1.758 -4.214 1.00 0.00 N ATOM 467 CA SER A 32 -14.245 -3.055 -4.149 1.00 0.00 C ATOM 468 C SER A 32 -15.392 -2.936 -3.142 1.00 0.00 C ATOM 469 O SER A 32 -16.361 -3.666 -3.203 1.00 0.00 O ATOM 470 CB SER A 32 -13.288 -4.159 -3.705 1.00 0.00 C ATOM 471 OG SER A 32 -12.188 -4.214 -4.604 1.00 0.00 O ATOM 0 H SER A 32 -13.004 -1.504 -3.364 1.00 0.00 H new ATOM 0 HA SER A 32 -14.648 -3.298 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.936 -3.965 -2.692 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.805 -5.118 -3.685 1.00 0.00 H new ATOM 0 HG SER A 32 -11.570 -4.920 -4.322 1.00 0.00 H new ATOM 477 N CYS A 33 -15.286 -2.020 -2.216 1.00 0.00 N ATOM 478 CA CYS A 33 -16.366 -1.841 -1.197 1.00 0.00 C ATOM 479 C CYS A 33 -16.827 -0.385 -1.202 1.00 0.00 C ATOM 480 O CYS A 33 -17.889 -0.058 -0.709 1.00 0.00 O ATOM 481 CB CYS A 33 -15.819 -2.189 0.190 1.00 0.00 C ATOM 482 SG CYS A 33 -15.083 -3.834 0.145 1.00 0.00 S ATOM 0 H CYS A 33 -14.494 -1.384 -2.120 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.205 -2.495 -1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.075 -1.453 0.495 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.620 -2.157 0.928 1.00 0.00 H new ATOM 487 N GLY A 34 -16.030 0.494 -1.743 1.00 0.00 N ATOM 488 CA GLY A 34 -16.414 1.933 -1.765 1.00 0.00 C ATOM 489 C GLY A 34 -16.913 2.324 -0.375 1.00 0.00 C ATOM 490 O GLY A 34 -18.047 2.721 -0.196 1.00 0.00 O ATOM 0 H GLY A 34 -15.130 0.278 -2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.560 2.548 -2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.192 2.106 -2.509 1.00 0.00 H new ATOM 494 N VAL A 35 -16.080 2.171 0.618 1.00 0.00 N ATOM 495 CA VAL A 35 -16.505 2.483 2.012 1.00 0.00 C ATOM 496 C VAL A 35 -16.134 3.917 2.418 1.00 0.00 C ATOM 497 O VAL A 35 -16.911 4.585 3.067 1.00 0.00 O ATOM 498 CB VAL A 35 -15.841 1.474 2.954 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.474 0.091 2.728 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.339 1.404 2.658 1.00 0.00 C ATOM 0 H VAL A 35 -15.119 1.842 0.523 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.591 2.409 2.075 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.987 1.784 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.008 -0.635 3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.543 0.142 2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.320 -0.215 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.869 0.686 3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.186 1.090 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.892 2.387 2.808 1.00 0.00 H new ATOM 510 N THR A 36 -14.971 4.405 2.057 1.00 0.00 N ATOM 511 CA THR A 36 -14.604 5.798 2.457 1.00 0.00 C ATOM 512 C THR A 36 -13.105 6.011 2.255 1.00 0.00 C ATOM 513 O THR A 36 -12.408 5.147 1.771 1.00 0.00 O ATOM 514 CB THR A 36 -14.944 6.032 3.938 1.00 0.00 C ATOM 515 OG1 THR A 36 -14.145 7.095 4.437 1.00 0.00 O ATOM 516 CG2 THR A 36 -14.663 4.762 4.752 1.00 0.00 C ATOM 0 H THR A 36 -14.269 3.906 1.510 1.00 0.00 H new ATOM 0 HA THR A 36 -15.167 6.498 1.840 1.00 0.00 H new ATOM 0 HB THR A 36 -16.001 6.285 4.027 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.359 7.250 5.381 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.907 4.940 5.799 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.273 3.943 4.371 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.609 4.500 4.665 1.00 0.00 H new ATOM 524 N GLY A 37 -12.611 7.166 2.619 1.00 0.00 N ATOM 525 CA GLY A 37 -11.159 7.460 2.449 1.00 0.00 C ATOM 526 C GLY A 37 -10.395 7.125 3.726 1.00 0.00 C ATOM 527 O GLY A 37 -9.573 6.234 3.750 1.00 0.00 O ATOM 0 H GLY A 37 -13.157 7.923 3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.759 6.881 1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.021 8.512 2.201 1.00 0.00 H new ATOM 531 N PRO A 38 -10.644 7.843 4.783 1.00 0.00 N ATOM 532 CA PRO A 38 -9.951 7.608 6.063 1.00 0.00 C ATOM 533 C PRO A 38 -9.834 6.119 6.380 1.00 0.00 C ATOM 534 O PRO A 38 -10.789 5.372 6.300 1.00 0.00 O ATOM 535 CB PRO A 38 -10.804 8.324 7.116 1.00 0.00 C ATOM 536 CG PRO A 38 -11.935 8.991 6.377 1.00 0.00 C ATOM 537 CD PRO A 38 -11.598 8.947 4.884 1.00 0.00 C ATOM 0 HA PRO A 38 -8.928 7.983 6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.186 7.616 7.851 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.211 9.059 7.660 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.876 8.478 6.573 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.058 10.021 6.712 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.485 8.768 4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.163 9.886 4.543 1.00 0.00 H new ATOM 545 N ASN A 39 -8.658 5.697 6.727 1.00 0.00 N ATOM 546 CA ASN A 39 -8.413 4.265 7.056 1.00 0.00 C ATOM 547 C ASN A 39 -8.559 3.407 5.794 1.00 0.00 C ATOM 548 O ASN A 39 -9.031 2.290 5.843 1.00 0.00 O ATOM 549 CB ASN A 39 -9.391 3.788 8.149 1.00 0.00 C ATOM 550 CG ASN A 39 -8.683 3.785 9.507 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.275 2.747 9.990 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.519 4.911 10.146 1.00 0.00 N ATOM 0 H ASN A 39 -7.835 6.295 6.799 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.397 4.160 7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.262 4.443 8.183 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.754 2.787 7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.048 4.920 11.051 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.861 5.782 9.741 1.00 0.00 H new ATOM 559 N LEU A 40 -8.129 3.907 4.663 1.00 0.00 N ATOM 560 CA LEU A 40 -8.220 3.091 3.418 1.00 0.00 C ATOM 561 C LEU A 40 -6.926 2.288 3.279 1.00 0.00 C ATOM 562 O LEU A 40 -6.010 2.425 4.066 1.00 0.00 O ATOM 563 CB LEU A 40 -8.368 4.002 2.184 1.00 0.00 C ATOM 564 CG LEU A 40 -9.841 4.192 1.773 1.00 0.00 C ATOM 565 CD1 LEU A 40 -9.876 4.860 0.396 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.562 2.838 1.679 1.00 0.00 C ATOM 0 H LEU A 40 -7.723 4.836 4.550 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.088 2.435 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.924 4.974 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.812 3.574 1.350 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.342 4.805 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.912 5.003 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.376 5.827 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.366 4.226 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.600 2.998 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.068 2.214 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.530 2.341 2.648 1.00 0.00 H new ATOM 578 N TRP A 41 -6.837 1.465 2.277 1.00 0.00 N ATOM 579 CA TRP A 41 -5.594 0.668 2.077 1.00 0.00 C ATOM 580 C TRP A 41 -5.564 0.139 0.643 1.00 0.00 C ATOM 581 O TRP A 41 -6.170 -0.866 0.326 1.00 0.00 O ATOM 582 CB TRP A 41 -5.554 -0.498 3.077 1.00 0.00 C ATOM 583 CG TRP A 41 -4.315 -0.403 3.915 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.053 -0.338 3.430 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.196 -0.360 5.367 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.170 -0.256 4.490 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.826 -0.266 5.705 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.134 -0.392 6.414 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.402 -0.206 7.034 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.712 -0.333 7.752 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.349 -0.238 8.061 1.00 0.00 C ATOM 0 H TRP A 41 -7.570 1.308 1.586 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.721 1.299 2.246 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.438 -0.474 3.714 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.572 -1.448 2.543 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.780 -0.349 2.385 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.157 -0.195 4.387 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.188 -0.463 6.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.350 -0.135 7.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.442 -0.361 8.547 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.030 -0.190 9.092 1.00 0.00 H new ATOM 602 N ALA A 42 -4.875 0.816 -0.232 1.00 0.00 N ATOM 603 CA ALA A 42 -4.818 0.363 -1.645 1.00 0.00 C ATOM 604 C ALA A 42 -3.575 -0.488 -1.885 1.00 0.00 C ATOM 605 O ALA A 42 -2.512 -0.225 -1.359 1.00 0.00 O ATOM 606 CB ALA A 42 -4.768 1.585 -2.559 1.00 0.00 C ATOM 0 H ALA A 42 -4.348 1.665 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.703 -0.236 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.726 1.260 -3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.660 2.192 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.882 2.176 -2.328 1.00 0.00 H new ATOM 612 N CYS A 43 -3.704 -1.499 -2.697 1.00 0.00 N ATOM 613 CA CYS A 43 -2.538 -2.367 -3.006 1.00 0.00 C ATOM 614 C CYS A 43 -1.444 -1.506 -3.634 1.00 0.00 C ATOM 615 O CYS A 43 -1.726 -0.499 -4.254 1.00 0.00 O ATOM 616 CB CYS A 43 -2.973 -3.456 -3.987 1.00 0.00 C ATOM 617 SG CYS A 43 -1.937 -4.921 -3.760 1.00 0.00 S ATOM 0 H CYS A 43 -4.573 -1.762 -3.162 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.159 -2.835 -2.098 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.021 -3.710 -3.824 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.888 -3.093 -5.011 1.00 0.00 H new ATOM 622 N LEU A 44 -0.200 -1.872 -3.473 1.00 0.00 N ATOM 623 CA LEU A 44 0.892 -1.041 -4.062 1.00 0.00 C ATOM 624 C LEU A 44 1.906 -1.930 -4.788 1.00 0.00 C ATOM 625 O LEU A 44 3.095 -1.724 -4.694 1.00 0.00 O ATOM 626 CB LEU A 44 1.580 -0.261 -2.927 1.00 0.00 C ATOM 627 CG LEU A 44 2.763 0.575 -3.453 1.00 0.00 C ATOM 628 CD1 LEU A 44 2.414 1.230 -4.793 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.090 1.673 -2.438 1.00 0.00 C ATOM 0 H LEU A 44 0.106 -2.702 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 44 0.474 -0.344 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.856 0.395 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.935 -0.958 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 44 3.619 -0.085 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.264 1.815 -5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.177 0.458 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.552 1.884 -4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.926 2.269 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.219 2.314 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.358 1.219 -1.484 1.00 0.00 H new ATOM 641 N GLN A 45 1.457 -2.915 -5.524 1.00 0.00 N ATOM 642 CA GLN A 45 2.430 -3.784 -6.251 1.00 0.00 C ATOM 643 C GLN A 45 2.696 -3.212 -7.646 1.00 0.00 C ATOM 644 O GLN A 45 1.835 -2.625 -8.270 1.00 0.00 O ATOM 645 CB GLN A 45 1.895 -5.214 -6.375 1.00 0.00 C ATOM 646 CG GLN A 45 0.907 -5.496 -5.248 1.00 0.00 C ATOM 647 CD GLN A 45 1.668 -5.614 -3.926 1.00 0.00 C ATOM 648 OE1 GLN A 45 1.732 -4.670 -3.163 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.251 -6.740 -3.622 1.00 0.00 N ATOM 0 H GLN A 45 0.473 -3.153 -5.652 1.00 0.00 H new ATOM 0 HA GLN A 45 3.360 -3.809 -5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.407 -5.347 -7.340 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.720 -5.925 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.170 -4.695 -5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.361 -6.417 -5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.197 -7.532 -4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.761 -6.829 -2.743 1.00 0.00 H new ATOM 658 N VAL A 46 3.896 -3.379 -8.122 1.00 0.00 N ATOM 659 CA VAL A 46 4.276 -2.854 -9.467 1.00 0.00 C ATOM 660 C VAL A 46 3.145 -3.046 -10.487 1.00 0.00 C ATOM 661 O VAL A 46 3.126 -2.394 -11.513 1.00 0.00 O ATOM 662 CB VAL A 46 5.517 -3.600 -9.966 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.139 -5.031 -10.359 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.092 -2.872 -11.184 1.00 0.00 C ATOM 0 H VAL A 46 4.645 -3.865 -7.629 1.00 0.00 H new ATOM 0 HA VAL A 46 4.476 -1.787 -9.368 1.00 0.00 H new ATOM 0 HB VAL A 46 6.263 -3.631 -9.171 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.025 -5.557 -10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.731 -5.551 -9.492 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.391 -5.005 -11.152 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.975 -3.401 -11.541 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.344 -2.840 -11.976 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.367 -1.855 -10.904 1.00 0.00 H new ATOM 674 N ALA A 47 2.219 -3.939 -10.250 1.00 0.00 N ATOM 675 CA ALA A 47 1.136 -4.147 -11.260 1.00 0.00 C ATOM 676 C ALA A 47 -0.203 -4.475 -10.592 1.00 0.00 C ATOM 677 O ALA A 47 -0.912 -5.362 -11.026 1.00 0.00 O ATOM 678 CB ALA A 47 1.529 -5.301 -12.184 1.00 0.00 C ATOM 0 H ALA A 47 2.164 -4.524 -9.417 1.00 0.00 H new ATOM 0 HA ALA A 47 1.017 -3.223 -11.825 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.744 -5.459 -12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.462 -5.059 -12.692 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.661 -6.209 -11.596 1.00 0.00 H new ATOM 684 N CYS A 48 -0.572 -3.766 -9.559 1.00 0.00 N ATOM 685 CA CYS A 48 -1.883 -4.045 -8.901 1.00 0.00 C ATOM 686 C CYS A 48 -2.571 -2.726 -8.544 1.00 0.00 C ATOM 687 O CYS A 48 -2.515 -2.277 -7.416 1.00 0.00 O ATOM 688 CB CYS A 48 -1.663 -4.855 -7.626 1.00 0.00 C ATOM 689 SG CYS A 48 -3.224 -5.639 -7.150 1.00 0.00 S ATOM 0 H CYS A 48 -0.027 -3.010 -9.144 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.510 -4.613 -9.589 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.896 -5.612 -7.788 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.307 -4.207 -6.825 1.00 0.00 H new ATOM 694 N PRO A 49 -3.223 -2.112 -9.495 1.00 0.00 N ATOM 695 CA PRO A 49 -3.938 -0.832 -9.273 1.00 0.00 C ATOM 696 C PRO A 49 -5.373 -1.047 -8.777 1.00 0.00 C ATOM 697 O PRO A 49 -6.268 -1.333 -9.545 1.00 0.00 O ATOM 698 CB PRO A 49 -3.940 -0.205 -10.666 1.00 0.00 C ATOM 699 CG PRO A 49 -3.977 -1.365 -11.616 1.00 0.00 C ATOM 700 CD PRO A 49 -3.346 -2.564 -10.889 1.00 0.00 C ATOM 0 HA PRO A 49 -3.466 -0.217 -8.507 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.804 0.446 -10.804 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.052 0.406 -10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.002 -1.589 -11.911 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.426 -1.134 -12.528 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.973 -3.452 -10.966 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.375 -2.821 -11.312 1.00 0.00 H new ATOM 708 N TYR A 50 -5.590 -0.896 -7.499 1.00 0.00 N ATOM 709 CA TYR A 50 -6.955 -1.077 -6.929 1.00 0.00 C ATOM 710 C TYR A 50 -6.930 -0.592 -5.482 1.00 0.00 C ATOM 711 O TYR A 50 -6.033 -0.928 -4.732 1.00 0.00 O ATOM 712 CB TYR A 50 -7.342 -2.561 -6.959 1.00 0.00 C ATOM 713 CG TYR A 50 -7.708 -2.968 -8.368 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.890 -3.857 -9.075 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.865 -2.455 -8.968 1.00 0.00 C ATOM 716 CE1 TYR A 50 -7.227 -4.233 -10.381 1.00 0.00 C ATOM 717 CE2 TYR A 50 -9.203 -2.831 -10.274 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.384 -3.719 -10.980 1.00 0.00 C ATOM 719 OH TYR A 50 -8.716 -4.090 -12.267 1.00 0.00 O ATOM 0 H TYR A 50 -4.871 -0.652 -6.818 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.682 -0.512 -7.513 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.512 -3.170 -6.599 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.183 -2.740 -6.289 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.998 -4.253 -8.613 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.497 -1.769 -8.423 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.595 -4.919 -10.926 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.096 -2.436 -10.736 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.548 -3.645 -12.532 1.00 0.00 H new ATOM 729 N VAL A 51 -7.886 0.200 -5.073 1.00 0.00 N ATOM 730 CA VAL A 51 -7.873 0.695 -3.667 1.00 0.00 C ATOM 731 C VAL A 51 -8.856 -0.108 -2.819 1.00 0.00 C ATOM 732 O VAL A 51 -10.056 0.035 -2.920 1.00 0.00 O ATOM 733 CB VAL A 51 -8.217 2.188 -3.634 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.385 2.479 -4.578 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.586 2.612 -2.208 1.00 0.00 C ATOM 0 H VAL A 51 -8.667 0.522 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.875 0.563 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.345 2.755 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.622 3.543 -4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.110 2.198 -5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.257 1.904 -4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.829 3.675 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.449 2.039 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.743 2.425 -1.543 1.00 0.00 H new ATOM 745 N GLY A 52 -8.336 -0.959 -1.978 1.00 0.00 N ATOM 746 CA GLY A 52 -9.203 -1.796 -1.107 1.00 0.00 C ATOM 747 C GLY A 52 -9.545 -1.028 0.171 1.00 0.00 C ATOM 748 O GLY A 52 -9.247 0.141 0.301 1.00 0.00 O ATOM 0 H GLY A 52 -7.335 -1.110 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.117 -2.064 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.694 -2.727 -0.858 1.00 0.00 H new ATOM 752 N CYS A 53 -10.174 -1.678 1.114 1.00 0.00 N ATOM 753 CA CYS A 53 -10.542 -0.987 2.382 1.00 0.00 C ATOM 754 C CYS A 53 -9.513 -1.282 3.448 1.00 0.00 C ATOM 755 O CYS A 53 -8.664 -2.142 3.321 1.00 0.00 O ATOM 756 CB CYS A 53 -11.862 -1.539 2.948 1.00 0.00 C ATOM 757 SG CYS A 53 -12.187 -3.178 2.258 1.00 0.00 S ATOM 0 H CYS A 53 -10.449 -2.659 1.060 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.615 0.075 2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.806 -1.597 4.035 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.683 -0.863 2.706 1.00 0.00 H new ATOM 762 N GLY A 54 -9.673 -0.611 4.535 1.00 0.00 N ATOM 763 CA GLY A 54 -8.829 -0.844 5.719 1.00 0.00 C ATOM 764 C GLY A 54 -9.813 -1.311 6.775 1.00 0.00 C ATOM 765 O GLY A 54 -10.997 -1.096 6.623 1.00 0.00 O ATOM 0 H GLY A 54 -10.379 0.115 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.064 -1.596 5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.312 0.065 6.027 1.00 0.00 H new ATOM 769 N GLU A 55 -9.381 -1.964 7.809 1.00 0.00 N ATOM 770 CA GLU A 55 -10.364 -2.440 8.835 1.00 0.00 C ATOM 771 C GLU A 55 -11.607 -1.567 8.793 1.00 0.00 C ATOM 772 O GLU A 55 -12.717 -2.036 8.943 1.00 0.00 O ATOM 773 CB GLU A 55 -9.747 -2.346 10.220 1.00 0.00 C ATOM 774 CG GLU A 55 -9.596 -0.877 10.624 1.00 0.00 C ATOM 775 CD GLU A 55 -8.640 -0.768 11.814 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.970 -1.296 12.864 1.00 0.00 O ATOM 777 OE2 GLU A 55 -7.594 -0.160 11.655 1.00 0.00 O ATOM 0 H GLU A 55 -8.404 -2.191 7.996 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.629 -3.475 8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.373 -2.869 10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.774 -2.836 10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.215 -0.296 9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.568 -0.460 10.886 1.00 0.00 H new ATOM 784 N SER A 56 -11.414 -0.301 8.559 1.00 0.00 N ATOM 785 CA SER A 56 -12.565 0.636 8.459 1.00 0.00 C ATOM 786 C SER A 56 -13.781 -0.136 7.945 1.00 0.00 C ATOM 787 O SER A 56 -14.883 0.020 8.434 1.00 0.00 O ATOM 788 CB SER A 56 -12.205 1.749 7.472 1.00 0.00 C ATOM 789 OG SER A 56 -12.039 2.969 8.181 1.00 0.00 O ATOM 0 H SER A 56 -10.498 0.129 8.431 1.00 0.00 H new ATOM 0 HA SER A 56 -12.793 1.070 9.433 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.288 1.496 6.940 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.990 1.854 6.723 1.00 0.00 H new ATOM 0 HG SER A 56 -12.141 3.723 7.563 1.00 0.00 H new ATOM 795 N PHE A 57 -13.576 -0.989 6.970 1.00 0.00 N ATOM 796 CA PHE A 57 -14.708 -1.798 6.431 1.00 0.00 C ATOM 797 C PHE A 57 -14.405 -3.279 6.612 1.00 0.00 C ATOM 798 O PHE A 57 -14.688 -3.870 7.636 1.00 0.00 O ATOM 799 CB PHE A 57 -14.893 -1.522 4.944 1.00 0.00 C ATOM 800 CG PHE A 57 -16.004 -2.402 4.410 1.00 0.00 C ATOM 801 CD1 PHE A 57 -15.738 -3.331 3.396 1.00 0.00 C ATOM 802 CD2 PHE A 57 -17.300 -2.290 4.933 1.00 0.00 C ATOM 803 CE1 PHE A 57 -16.766 -4.147 2.906 1.00 0.00 C ATOM 804 CE2 PHE A 57 -18.327 -3.106 4.442 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.059 -4.034 3.429 1.00 0.00 C ATOM 0 H PHE A 57 -12.673 -1.158 6.526 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.616 -1.527 6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.136 -0.472 4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.966 -1.720 4.407 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.740 -3.418 2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.507 -1.574 5.715 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.560 -4.863 2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -19.325 -3.019 4.845 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.851 -4.663 3.051 1.00 0.00 H new ATOM 815 N ALA A 58 -13.823 -3.873 5.613 1.00 0.00 N ATOM 816 CA ALA A 58 -13.474 -5.323 5.681 1.00 0.00 C ATOM 817 C ALA A 58 -11.965 -5.465 5.518 1.00 0.00 C ATOM 818 O ALA A 58 -11.421 -6.552 5.539 1.00 0.00 O ATOM 819 CB ALA A 58 -14.185 -6.075 4.554 1.00 0.00 C ATOM 0 H ALA A 58 -13.569 -3.413 4.739 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.788 -5.739 6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.929 -7.133 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.263 -5.957 4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.870 -5.671 3.592 1.00 0.00 H new ATOM 825 N ASP A 59 -11.289 -4.364 5.357 1.00 0.00 N ATOM 826 CA ASP A 59 -9.812 -4.401 5.193 1.00 0.00 C ATOM 827 C ASP A 59 -9.432 -5.336 4.044 1.00 0.00 C ATOM 828 O ASP A 59 -8.765 -6.330 4.250 1.00 0.00 O ATOM 829 CB ASP A 59 -9.157 -4.888 6.490 1.00 0.00 C ATOM 830 CG ASP A 59 -7.661 -5.115 6.268 1.00 0.00 C ATOM 831 OD1 ASP A 59 -6.921 -4.149 6.349 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.282 -6.248 6.026 1.00 0.00 O ATOM 0 H ASP A 59 -11.701 -3.431 5.332 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.459 -3.395 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.308 -4.154 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.629 -5.814 6.820 1.00 0.00 H new ATOM 837 N HIS A 60 -9.818 -5.026 2.831 1.00 0.00 N ATOM 838 CA HIS A 60 -9.420 -5.913 1.701 1.00 0.00 C ATOM 839 C HIS A 60 -7.923 -6.159 1.847 1.00 0.00 C ATOM 840 O HIS A 60 -7.388 -7.146 1.406 1.00 0.00 O ATOM 841 CB HIS A 60 -9.692 -5.224 0.352 1.00 0.00 C ATOM 842 CG HIS A 60 -10.885 -5.845 -0.328 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.062 -5.140 -0.582 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.092 -7.111 -0.819 1.00 0.00 C ATOM 845 CE1 HIS A 60 -12.908 -5.991 -1.197 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.365 -7.197 -1.364 1.00 0.00 N ATOM 0 H HIS A 60 -10.380 -4.213 2.579 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.988 -6.843 1.725 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.869 -4.160 0.510 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.815 -5.309 -0.290 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.373 -7.917 -0.786 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.906 -5.727 -1.516 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.795 -8.012 -1.801 1.00 0.00 H new ATOM 854 N SER A 61 -7.256 -5.244 2.488 1.00 0.00 N ATOM 855 CA SER A 61 -5.790 -5.381 2.702 1.00 0.00 C ATOM 856 C SER A 61 -5.449 -6.807 3.135 1.00 0.00 C ATOM 857 O SER A 61 -4.383 -7.314 2.846 1.00 0.00 O ATOM 858 CB SER A 61 -5.367 -4.401 3.798 1.00 0.00 C ATOM 859 OG SER A 61 -4.023 -3.992 3.575 1.00 0.00 O ATOM 0 H SER A 61 -7.669 -4.396 2.878 1.00 0.00 H new ATOM 0 HA SER A 61 -5.263 -5.164 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.027 -3.533 3.800 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.457 -4.872 4.777 1.00 0.00 H new ATOM 0 HG SER A 61 -3.960 -3.017 3.655 1.00 0.00 H new ATOM 865 N THR A 62 -6.335 -7.458 3.837 1.00 0.00 N ATOM 866 CA THR A 62 -6.042 -8.839 4.294 1.00 0.00 C ATOM 867 C THR A 62 -6.493 -9.857 3.252 1.00 0.00 C ATOM 868 O THR A 62 -5.693 -10.571 2.681 1.00 0.00 O ATOM 869 CB THR A 62 -6.780 -9.118 5.597 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.031 -8.444 5.587 1.00 0.00 O ATOM 871 CG2 THR A 62 -5.944 -8.639 6.787 1.00 0.00 C ATOM 0 H THR A 62 -7.246 -7.092 4.112 1.00 0.00 H new ATOM 0 HA THR A 62 -4.966 -8.927 4.444 1.00 0.00 H new ATOM 0 HB THR A 62 -6.946 -10.191 5.691 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.892 -7.493 5.776 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.480 -8.843 7.714 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.990 -9.165 6.797 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.766 -7.567 6.699 1.00 0.00 H new ATOM 879 N ILE A 63 -7.775 -9.955 3.017 1.00 0.00 N ATOM 880 CA ILE A 63 -8.252 -10.957 2.034 1.00 0.00 C ATOM 881 C ILE A 63 -7.586 -10.694 0.685 1.00 0.00 C ATOM 882 O ILE A 63 -7.314 -11.599 -0.079 1.00 0.00 O ATOM 883 CB ILE A 63 -9.766 -10.889 1.879 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.183 -9.437 1.728 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.441 -11.495 3.112 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.611 -9.365 1.183 1.00 0.00 C ATOM 0 H ILE A 63 -8.500 -9.390 3.459 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.989 -11.952 2.393 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.070 -11.452 0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.125 -8.930 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.500 -8.920 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.524 -11.444 2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.136 -12.536 3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.144 -10.937 4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.907 -8.322 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.655 -9.856 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.290 -9.866 1.873 1.00 0.00 H new ATOM 898 N HIS A 64 -7.317 -9.455 0.393 1.00 0.00 N ATOM 899 CA HIS A 64 -6.658 -9.113 -0.900 1.00 0.00 C ATOM 900 C HIS A 64 -5.200 -9.567 -0.853 1.00 0.00 C ATOM 901 O HIS A 64 -4.684 -10.123 -1.802 1.00 0.00 O ATOM 902 CB HIS A 64 -6.704 -7.602 -1.138 1.00 0.00 C ATOM 903 CG HIS A 64 -6.048 -7.300 -2.455 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.769 -6.910 -3.573 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.736 -7.350 -2.850 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.892 -6.745 -4.581 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.641 -7.002 -4.192 1.00 0.00 N ATOM 0 H HIS A 64 -7.525 -8.659 0.996 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.185 -9.616 -1.711 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.736 -7.252 -1.141 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.192 -7.077 -0.332 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.779 -6.773 -3.623 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.904 -7.619 -2.216 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.167 -6.442 -5.581 1.00 0.00 H new ATOM 915 N ALA A 65 -4.536 -9.360 0.253 1.00 0.00 N ATOM 916 CA ALA A 65 -3.119 -9.811 0.355 1.00 0.00 C ATOM 917 C ALA A 65 -3.154 -11.318 0.540 1.00 0.00 C ATOM 918 O ALA A 65 -2.196 -12.027 0.324 1.00 0.00 O ATOM 919 CB ALA A 65 -2.452 -9.155 1.566 1.00 0.00 C ATOM 0 H ALA A 65 -4.910 -8.902 1.084 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.553 -9.536 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.416 -9.488 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.478 -8.071 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.986 -9.438 2.473 1.00 0.00 H new ATOM 925 N GLN A 66 -4.282 -11.784 0.964 1.00 0.00 N ATOM 926 CA GLN A 66 -4.507 -13.224 1.220 1.00 0.00 C ATOM 927 C GLN A 66 -4.870 -13.947 -0.085 1.00 0.00 C ATOM 928 O GLN A 66 -4.528 -15.095 -0.286 1.00 0.00 O ATOM 929 CB GLN A 66 -5.689 -13.279 2.180 1.00 0.00 C ATOM 930 CG GLN A 66 -6.272 -14.690 2.308 1.00 0.00 C ATOM 931 CD GLN A 66 -5.685 -15.387 3.538 1.00 0.00 C ATOM 932 OE1 GLN A 66 -6.374 -16.112 4.228 1.00 0.00 O ATOM 933 NE2 GLN A 66 -4.430 -15.199 3.843 1.00 0.00 N ATOM 0 H GLN A 66 -5.096 -11.199 1.153 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.618 -13.706 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.372 -12.929 3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.466 -12.598 1.834 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.358 -14.638 2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.049 -15.268 1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.850 -14.591 3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.029 -15.660 4.660 1.00 0.00 H new ATOM 942 N ALA A 67 -5.588 -13.290 -0.955 1.00 0.00 N ATOM 943 CA ALA A 67 -6.010 -13.940 -2.226 1.00 0.00 C ATOM 944 C ALA A 67 -4.947 -13.729 -3.300 1.00 0.00 C ATOM 945 O ALA A 67 -4.611 -14.626 -4.046 1.00 0.00 O ATOM 946 CB ALA A 67 -7.336 -13.326 -2.687 1.00 0.00 C ATOM 0 H ALA A 67 -5.901 -12.326 -0.838 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.136 -15.010 -2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.651 -13.798 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.097 -13.487 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.205 -12.256 -2.849 1.00 0.00 H new ATOM 952 N LYS A 68 -4.431 -12.537 -3.392 1.00 0.00 N ATOM 953 CA LYS A 68 -3.403 -12.241 -4.427 1.00 0.00 C ATOM 954 C LYS A 68 -2.014 -12.323 -3.806 1.00 0.00 C ATOM 955 O LYS A 68 -1.013 -12.068 -4.446 1.00 0.00 O ATOM 956 CB LYS A 68 -3.653 -10.841 -4.977 1.00 0.00 C ATOM 957 CG LYS A 68 -5.085 -10.769 -5.533 1.00 0.00 C ATOM 958 CD LYS A 68 -6.034 -10.208 -4.470 1.00 0.00 C ATOM 959 CE LYS A 68 -7.407 -9.952 -5.096 1.00 0.00 C ATOM 960 NZ LYS A 68 -7.717 -11.032 -6.073 1.00 0.00 N ATOM 0 H LYS A 68 -4.678 -11.750 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.465 -12.967 -5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.517 -10.098 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.933 -10.611 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.107 -10.138 -6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.415 -11.762 -5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.125 -10.910 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.631 -9.282 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.172 -9.919 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.416 -8.983 -5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.736 -11.030 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.184 -10.869 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.448 -11.952 -5.670 1.00 0.00 H new ATOM 974 N LYS A 69 -1.952 -12.696 -2.563 1.00 0.00 N ATOM 975 CA LYS A 69 -0.641 -12.823 -1.872 1.00 0.00 C ATOM 976 C LYS A 69 0.131 -11.499 -1.937 1.00 0.00 C ATOM 977 O LYS A 69 1.315 -11.455 -1.665 1.00 0.00 O ATOM 978 CB LYS A 69 0.180 -13.938 -2.539 1.00 0.00 C ATOM 979 CG LYS A 69 -0.080 -15.275 -1.831 1.00 0.00 C ATOM 980 CD LYS A 69 -1.591 -15.500 -1.663 1.00 0.00 C ATOM 981 CE LYS A 69 -1.891 -17.001 -1.664 1.00 0.00 C ATOM 982 NZ LYS A 69 -3.309 -17.223 -1.259 1.00 0.00 N ATOM 0 H LYS A 69 -2.763 -12.922 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.815 -13.071 -0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.087 -14.017 -3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.242 -13.695 -2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.355 -16.091 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.407 -15.279 -0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.934 -15.051 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.134 -15.010 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.715 -17.418 -2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.220 -17.518 -0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.393 -18.141 -0.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.609 -16.464 -0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.916 -17.219 -2.104 1.00 0.00 H new ATOM 996 N HIS A 70 -0.522 -10.412 -2.254 1.00 0.00 N ATOM 997 CA HIS A 70 0.203 -9.105 -2.281 1.00 0.00 C ATOM 998 C HIS A 70 0.385 -8.660 -0.830 1.00 0.00 C ATOM 999 O HIS A 70 -0.573 -8.483 -0.108 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.611 -8.069 -3.061 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.689 -8.492 -4.503 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.751 -8.139 -5.323 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.158 -9.237 -5.288 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.516 -8.666 -6.539 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.368 -9.343 -6.569 1.00 0.00 N ATOM 0 H HIS A 70 -1.513 -10.370 -2.493 1.00 0.00 H new ATOM 0 HA HIS A 70 1.170 -9.206 -2.774 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.612 -7.982 -2.639 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.145 -7.087 -2.981 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.090 -9.673 -4.959 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.176 -8.554 -7.386 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.038 -9.835 -7.365 1.00 0.00 H new ATOM 1013 N ASN A 71 1.601 -8.517 -0.374 1.00 0.00 N ATOM 1014 CA ASN A 71 1.811 -8.134 1.049 1.00 0.00 C ATOM 1015 C ASN A 71 1.829 -6.615 1.214 1.00 0.00 C ATOM 1016 O ASN A 71 1.318 -6.085 2.181 1.00 0.00 O ATOM 1017 CB ASN A 71 3.146 -8.708 1.523 1.00 0.00 C ATOM 1018 CG ASN A 71 4.168 -8.640 0.388 1.00 0.00 C ATOM 1019 OD1 ASN A 71 5.084 -7.843 0.426 1.00 0.00 O ATOM 1020 ND2 ASN A 71 4.051 -9.450 -0.629 1.00 0.00 N ATOM 0 H ASN A 71 2.451 -8.648 -0.922 1.00 0.00 H new ATOM 0 HA ASN A 71 0.989 -8.533 1.643 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.508 -8.148 2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.015 -9.741 1.846 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.728 -9.413 -1.391 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.282 -10.120 -0.662 1.00 0.00 H new ATOM 1027 N LEU A 72 2.446 -5.915 0.311 1.00 0.00 N ATOM 1028 CA LEU A 72 2.542 -4.437 0.458 1.00 0.00 C ATOM 1029 C LEU A 72 1.272 -3.713 0.008 1.00 0.00 C ATOM 1030 O LEU A 72 0.722 -3.957 -1.047 1.00 0.00 O ATOM 1031 CB LEU A 72 3.724 -3.938 -0.360 1.00 0.00 C ATOM 1032 CG LEU A 72 5.016 -4.471 0.261 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.156 -4.337 -0.745 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.357 -3.677 1.530 1.00 0.00 C ATOM 0 H LEU A 72 2.889 -6.299 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 72 2.676 -4.219 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.636 -4.274 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.736 -2.848 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 72 4.879 -5.520 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.077 -4.717 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.920 -4.911 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.286 -3.288 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.279 -4.064 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.489 -2.625 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.546 -3.777 2.251 1.00 0.00 H new ATOM 1046 N THR A 73 0.849 -2.786 0.819 1.00 0.00 N ATOM 1047 CA THR A 73 -0.347 -1.956 0.514 1.00 0.00 C ATOM 1048 C THR A 73 -0.102 -0.599 1.170 1.00 0.00 C ATOM 1049 O THR A 73 0.669 -0.506 2.101 1.00 0.00 O ATOM 1050 CB THR A 73 -1.602 -2.603 1.105 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.611 -2.417 2.513 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.609 -4.099 0.786 1.00 0.00 C ATOM 0 H THR A 73 1.297 -2.563 1.708 1.00 0.00 H new ATOM 0 HA THR A 73 -0.499 -1.859 -0.561 1.00 0.00 H new ATOM 0 HB THR A 73 -2.487 -2.139 0.671 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.416 -1.922 2.772 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.504 -4.557 1.208 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.604 -4.241 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.724 -4.567 1.217 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.706 0.459 0.701 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.429 1.790 1.330 1.00 0.00 C ATOM 1062 C VAL A 74 -1.709 2.424 1.869 1.00 0.00 C ATOM 1063 O VAL A 74 -2.673 2.632 1.161 1.00 0.00 O ATOM 1064 CB VAL A 74 0.219 2.717 0.293 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.538 2.624 -1.035 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.181 4.165 0.793 1.00 0.00 C ATOM 0 H VAL A 74 -1.368 0.466 -0.075 1.00 0.00 H new ATOM 0 HA VAL A 74 0.250 1.642 2.169 1.00 0.00 H new ATOM 0 HB VAL A 74 1.254 2.409 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.072 3.285 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.506 1.598 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.575 2.923 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.643 4.818 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.854 4.469 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.727 4.240 1.733 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.701 2.742 3.140 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.886 3.377 3.773 1.00 0.00 C ATOM 1078 C ASN A 75 -2.932 4.848 3.372 1.00 0.00 C ATOM 1079 O ASN A 75 -2.204 5.669 3.894 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.771 3.267 5.297 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.143 3.503 5.932 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.006 4.110 5.333 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.379 3.044 7.131 1.00 0.00 N ATOM 0 H ASN A 75 -0.913 2.585 3.768 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.795 2.875 3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.395 2.282 5.574 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.055 3.998 5.672 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.290 3.196 7.565 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.653 2.534 7.634 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.776 5.185 2.444 1.00 0.00 N ATOM 1091 CA LEU A 76 -3.866 6.604 2.001 1.00 0.00 C ATOM 1092 C LEU A 76 -4.465 7.443 3.125 1.00 0.00 C ATOM 1093 O LEU A 76 -4.824 8.589 2.943 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.738 6.678 0.749 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.271 5.596 -0.249 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.452 4.713 -0.652 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.669 6.243 -1.505 1.00 0.00 C ATOM 0 H LEU A 76 -4.409 4.541 1.971 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.875 6.993 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.785 6.524 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.664 7.666 0.296 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.508 4.988 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.114 3.953 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.864 4.230 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.221 5.326 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.346 5.464 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.420 6.868 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.813 6.856 -1.224 1.00 0.00 H new ATOM 1109 N THR A 77 -4.550 6.880 4.297 1.00 0.00 N ATOM 1110 CA THR A 77 -5.095 7.629 5.458 1.00 0.00 C ATOM 1111 C THR A 77 -3.934 8.264 6.210 1.00 0.00 C ATOM 1112 O THR A 77 -4.012 9.385 6.674 1.00 0.00 O ATOM 1113 CB THR A 77 -5.820 6.660 6.386 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.840 5.998 5.658 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.424 7.434 7.561 1.00 0.00 C ATOM 0 H THR A 77 -4.262 5.923 4.500 1.00 0.00 H new ATOM 0 HA THR A 77 -5.790 8.396 5.117 1.00 0.00 H new ATOM 0 HB THR A 77 -5.119 5.921 6.775 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.467 5.205 5.220 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.942 6.742 8.225 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.630 7.938 8.111 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.131 8.174 7.185 1.00 0.00 H new ATOM 1123 N THR A 78 -2.857 7.538 6.343 1.00 0.00 N ATOM 1124 CA THR A 78 -1.670 8.071 7.079 1.00 0.00 C ATOM 1125 C THR A 78 -0.458 8.191 6.150 1.00 0.00 C ATOM 1126 O THR A 78 0.505 8.860 6.469 1.00 0.00 O ATOM 1127 CB THR A 78 -1.326 7.125 8.230 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.509 6.802 8.945 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.325 7.800 9.167 1.00 0.00 C ATOM 0 H THR A 78 -2.746 6.594 5.973 1.00 0.00 H new ATOM 0 HA THR A 78 -1.915 9.062 7.461 1.00 0.00 H new ATOM 0 HB THR A 78 -0.884 6.212 7.831 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.483 7.226 9.828 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.081 7.124 9.987 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.583 8.044 8.615 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.762 8.714 9.568 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.491 7.556 5.011 1.00 0.00 N ATOM 1138 CA PHE A 79 0.664 7.641 4.065 1.00 0.00 C ATOM 1139 C PHE A 79 1.793 6.706 4.516 1.00 0.00 C ATOM 1140 O PHE A 79 2.930 7.108 4.661 1.00 0.00 O ATOM 1141 CB PHE A 79 1.183 9.085 4.000 1.00 0.00 C ATOM 1142 CG PHE A 79 1.779 9.352 2.636 1.00 0.00 C ATOM 1143 CD1 PHE A 79 3.163 9.506 2.493 1.00 0.00 C ATOM 1144 CD2 PHE A 79 0.945 9.445 1.515 1.00 0.00 C ATOM 1145 CE1 PHE A 79 3.714 9.752 1.229 1.00 0.00 C ATOM 1146 CE2 PHE A 79 1.496 9.691 0.252 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.879 9.845 0.109 1.00 0.00 C ATOM 0 H PHE A 79 -1.269 6.979 4.691 1.00 0.00 H new ATOM 0 HA PHE A 79 0.326 7.335 3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.369 9.783 4.195 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.934 9.247 4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.806 9.435 3.358 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.123 9.327 1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.782 9.870 1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.853 9.762 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.303 10.036 -0.866 1.00 0.00 H new ATOM 1157 N ARG A 80 1.487 5.452 4.706 1.00 0.00 N ATOM 1158 CA ARG A 80 2.525 4.463 5.110 1.00 0.00 C ATOM 1159 C ARG A 80 2.203 3.156 4.396 1.00 0.00 C ATOM 1160 O ARG A 80 1.244 3.074 3.657 1.00 0.00 O ATOM 1161 CB ARG A 80 2.517 4.242 6.631 1.00 0.00 C ATOM 1162 CG ARG A 80 1.225 4.788 7.252 1.00 0.00 C ATOM 1163 CD ARG A 80 0.975 4.082 8.588 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.278 4.596 9.215 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.421 4.000 8.993 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.508 4.449 9.558 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -1.481 2.961 8.204 1.00 0.00 N ATOM 0 H ARG A 80 0.549 5.066 4.597 1.00 0.00 H new ATOM 0 HA ARG A 80 3.515 4.829 4.839 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.610 3.178 6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.379 4.736 7.080 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.307 5.864 7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.385 4.625 6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.897 3.006 8.430 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.819 4.245 9.258 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.243 5.417 9.820 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.465 5.263 10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.401 3.986 9.386 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.634 2.610 7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.375 2.500 8.035 1.00 0.00 H new ATOM 1181 N LEU A 81 2.986 2.136 4.592 1.00 0.00 N ATOM 1182 CA LEU A 81 2.704 0.848 3.898 1.00 0.00 C ATOM 1183 C LEU A 81 2.383 -0.240 4.912 1.00 0.00 C ATOM 1184 O LEU A 81 2.433 -0.037 6.107 1.00 0.00 O ATOM 1185 CB LEU A 81 3.930 0.437 3.073 1.00 0.00 C ATOM 1186 CG LEU A 81 3.773 0.911 1.623 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.157 1.186 1.023 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.050 -0.158 0.782 1.00 0.00 C ATOM 0 H LEU A 81 3.806 2.135 5.199 1.00 0.00 H new ATOM 0 HA LEU A 81 1.844 0.979 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.832 0.867 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.049 -0.646 3.099 1.00 0.00 H new ATOM 0 HG LEU A 81 3.179 1.825 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.046 1.523 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.659 1.959 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.751 0.272 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.947 0.195 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.629 -1.082 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.062 -0.345 1.202 1.00 0.00 H new ATOM 1200 N TRP A 82 2.060 -1.396 4.422 1.00 0.00 N ATOM 1201 CA TRP A 82 1.735 -2.542 5.309 1.00 0.00 C ATOM 1202 C TRP A 82 2.072 -3.819 4.552 1.00 0.00 C ATOM 1203 O TRP A 82 1.430 -4.164 3.581 1.00 0.00 O ATOM 1204 CB TRP A 82 0.247 -2.524 5.658 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.111 -3.773 6.398 1.00 0.00 C ATOM 1206 CD1 TRP A 82 -0.895 -4.764 5.916 1.00 0.00 C ATOM 1207 CD2 TRP A 82 0.288 -4.182 7.738 1.00 0.00 C ATOM 1208 NE1 TRP A 82 -1.004 -5.754 6.875 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.293 -5.442 8.016 1.00 0.00 C ATOM 1210 CE3 TRP A 82 1.088 -3.588 8.732 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -0.087 -6.091 9.235 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 1.297 -4.238 9.960 1.00 0.00 C ATOM 1213 CH2 TRP A 82 0.710 -5.487 10.210 1.00 0.00 C ATOM 0 H TRP A 82 2.006 -1.601 3.424 1.00 0.00 H new ATOM 0 HA TRP A 82 2.306 -2.483 6.236 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.017 -1.650 6.267 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.349 -2.445 4.749 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -1.360 -4.780 4.941 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -1.544 -6.611 6.754 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.544 -2.626 8.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.541 -7.053 9.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 1.913 -3.773 10.716 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.874 -5.981 11.156 1.00 0.00 H new ATOM 1224 N CYS A 83 3.088 -4.514 4.972 1.00 0.00 N ATOM 1225 CA CYS A 83 3.479 -5.751 4.260 1.00 0.00 C ATOM 1226 C CYS A 83 2.835 -6.960 4.922 1.00 0.00 C ATOM 1227 O CYS A 83 3.237 -7.362 5.986 1.00 0.00 O ATOM 1228 CB CYS A 83 4.998 -5.901 4.327 1.00 0.00 C ATOM 1229 SG CYS A 83 5.598 -6.600 2.775 1.00 0.00 S ATOM 0 H CYS A 83 3.664 -4.276 5.780 1.00 0.00 H new ATOM 0 HA CYS A 83 3.148 -5.690 3.223 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.463 -4.932 4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.275 -6.546 5.161 1.00 0.00 H new ATOM 1234 N TYR A 84 1.869 -7.571 4.302 1.00 0.00 N ATOM 1235 CA TYR A 84 1.270 -8.778 4.929 1.00 0.00 C ATOM 1236 C TYR A 84 2.336 -9.871 4.882 1.00 0.00 C ATOM 1237 O TYR A 84 2.127 -10.990 5.308 1.00 0.00 O ATOM 1238 CB TYR A 84 0.016 -9.216 4.159 1.00 0.00 C ATOM 1239 CG TYR A 84 -0.888 -10.010 5.073 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.046 -11.389 4.880 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.568 -9.368 6.115 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -1.884 -12.124 5.726 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.407 -10.104 6.962 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.564 -11.482 6.767 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.391 -12.205 7.602 1.00 0.00 O ATOM 0 H TYR A 84 1.473 -7.294 3.404 1.00 0.00 H new ATOM 0 HA TYR A 84 0.964 -8.575 5.955 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.512 -8.342 3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.299 -9.819 3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.520 -11.885 4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.446 -8.306 6.266 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.006 -13.186 5.576 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.933 -9.609 7.765 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.784 -11.607 8.271 1.00 0.00 H new ATOM 1255 N ALA A 85 3.498 -9.523 4.388 1.00 0.00 N ATOM 1256 CA ALA A 85 4.624 -10.489 4.327 1.00 0.00 C ATOM 1257 C ALA A 85 5.538 -10.172 5.505 1.00 0.00 C ATOM 1258 O ALA A 85 5.570 -10.887 6.487 1.00 0.00 O ATOM 1259 CB ALA A 85 5.395 -10.330 3.015 1.00 0.00 C ATOM 0 H ALA A 85 3.711 -8.596 4.021 1.00 0.00 H new ATOM 0 HA ALA A 85 4.256 -11.514 4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.217 -11.046 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.725 -10.513 2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.793 -9.318 2.947 1.00 0.00 H new ATOM 1265 N CYS A 86 6.240 -9.064 5.450 1.00 0.00 N ATOM 1266 CA CYS A 86 7.080 -8.686 6.603 1.00 0.00 C ATOM 1267 C CYS A 86 6.108 -8.449 7.748 1.00 0.00 C ATOM 1268 O CYS A 86 6.475 -8.317 8.899 1.00 0.00 O ATOM 1269 CB CYS A 86 7.848 -7.395 6.289 1.00 0.00 C ATOM 1270 SG CYS A 86 8.782 -7.599 4.750 1.00 0.00 S ATOM 0 H CYS A 86 6.260 -8.419 4.660 1.00 0.00 H new ATOM 0 HA CYS A 86 7.814 -9.454 6.845 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.153 -6.560 6.196 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.526 -7.155 7.108 1.00 0.00 H new ATOM 1275 N GLU A 87 4.847 -8.408 7.404 1.00 0.00 N ATOM 1276 CA GLU A 87 3.777 -8.195 8.409 1.00 0.00 C ATOM 1277 C GLU A 87 4.153 -7.015 9.311 1.00 0.00 C ATOM 1278 O GLU A 87 4.342 -7.153 10.503 1.00 0.00 O ATOM 1279 CB GLU A 87 3.601 -9.485 9.210 1.00 0.00 C ATOM 1280 CG GLU A 87 2.177 -10.024 9.031 1.00 0.00 C ATOM 1281 CD GLU A 87 1.195 -9.143 9.805 1.00 0.00 C ATOM 1282 OE1 GLU A 87 0.006 -9.402 9.724 1.00 0.00 O ATOM 1283 OE2 GLU A 87 1.650 -8.225 10.467 1.00 0.00 O ATOM 0 H GLU A 87 4.512 -8.516 6.446 1.00 0.00 H new ATOM 0 HA GLU A 87 2.831 -7.953 7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.325 -10.230 8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.797 -9.297 10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.913 -10.039 7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.119 -11.052 9.388 1.00 0.00 H new ATOM 1290 N LYS A 88 4.252 -5.848 8.733 1.00 0.00 N ATOM 1291 CA LYS A 88 4.603 -4.640 9.530 1.00 0.00 C ATOM 1292 C LYS A 88 4.234 -3.391 8.731 1.00 0.00 C ATOM 1293 O LYS A 88 3.707 -3.478 7.642 1.00 0.00 O ATOM 1294 CB LYS A 88 6.105 -4.632 9.814 1.00 0.00 C ATOM 1295 CG LYS A 88 6.861 -5.000 8.535 1.00 0.00 C ATOM 1296 CD LYS A 88 8.355 -4.702 8.708 1.00 0.00 C ATOM 1297 CE LYS A 88 9.015 -5.783 9.579 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.743 -5.134 10.705 1.00 0.00 N ATOM 0 H LYS A 88 4.104 -5.680 7.738 1.00 0.00 H new ATOM 0 HA LYS A 88 4.057 -4.652 10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.416 -3.648 10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.341 -5.341 10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.716 -6.056 8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.464 -4.435 7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.841 -4.664 7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.487 -3.723 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.259 -6.466 9.966 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.705 -6.377 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.190 -5.864 11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.474 -4.499 10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.073 -4.585 11.281 1.00 0.00 H new ATOM 1312 N GLU A 89 4.514 -2.231 9.261 1.00 0.00 N ATOM 1313 CA GLU A 89 4.188 -0.966 8.536 1.00 0.00 C ATOM 1314 C GLU A 89 5.493 -0.320 8.064 1.00 0.00 C ATOM 1315 O GLU A 89 6.502 -0.392 8.736 1.00 0.00 O ATOM 1316 CB GLU A 89 3.450 -0.017 9.495 1.00 0.00 C ATOM 1317 CG GLU A 89 2.156 0.491 8.848 1.00 0.00 C ATOM 1318 CD GLU A 89 1.205 0.993 9.936 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.480 2.040 10.499 1.00 0.00 O ATOM 1320 OE2 GLU A 89 0.218 0.323 10.189 1.00 0.00 O ATOM 0 H GLU A 89 4.957 -2.103 10.171 1.00 0.00 H new ATOM 0 HA GLU A 89 3.552 -1.173 7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.220 -0.536 10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.093 0.826 9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.379 1.294 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.684 -0.309 8.278 1.00 0.00 H new ATOM 1327 N VAL A 90 5.498 0.305 6.913 1.00 0.00 N ATOM 1328 CA VAL A 90 6.765 0.931 6.436 1.00 0.00 C ATOM 1329 C VAL A 90 6.452 2.145 5.556 1.00 0.00 C ATOM 1330 O VAL A 90 5.472 2.183 4.850 1.00 0.00 O ATOM 1331 CB VAL A 90 7.576 -0.109 5.637 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.628 -0.757 6.546 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.636 -1.199 5.108 1.00 0.00 C ATOM 0 H VAL A 90 4.694 0.407 6.294 1.00 0.00 H new ATOM 0 HA VAL A 90 7.350 1.265 7.293 1.00 0.00 H new ATOM 0 HB VAL A 90 8.069 0.391 4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.198 -1.491 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.302 0.010 6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.132 -1.251 7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.211 -1.933 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.142 -1.691 5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.886 -0.748 4.458 1.00 0.00 H new ATOM 1343 N PHE A 91 7.292 3.140 5.599 1.00 0.00 N ATOM 1344 CA PHE A 91 7.070 4.359 4.770 1.00 0.00 C ATOM 1345 C PHE A 91 8.014 4.320 3.582 1.00 0.00 C ATOM 1346 O PHE A 91 8.936 3.530 3.538 1.00 0.00 O ATOM 1347 CB PHE A 91 7.406 5.613 5.572 1.00 0.00 C ATOM 1348 CG PHE A 91 6.486 5.728 6.764 1.00 0.00 C ATOM 1349 CD1 PHE A 91 6.620 4.842 7.841 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.502 6.724 6.796 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.768 4.951 8.947 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.652 6.833 7.903 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.784 5.947 8.979 1.00 0.00 C ATOM 0 H PHE A 91 8.131 3.162 6.178 1.00 0.00 H new ATOM 0 HA PHE A 91 6.027 4.382 4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.443 5.574 5.905 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.307 6.496 4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.380 4.075 7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.399 7.408 5.967 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.870 4.266 9.776 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.894 7.601 7.927 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.128 6.032 9.833 1.00 0.00 H new ATOM 1363 N LEU A 92 7.819 5.186 2.631 1.00 0.00 N ATOM 1364 CA LEU A 92 8.738 5.207 1.477 1.00 0.00 C ATOM 1365 C LEU A 92 10.164 5.206 2.026 1.00 0.00 C ATOM 1366 O LEU A 92 10.439 5.771 3.065 1.00 0.00 O ATOM 1367 CB LEU A 92 8.497 6.473 0.639 1.00 0.00 C ATOM 1368 CG LEU A 92 7.030 6.913 0.772 1.00 0.00 C ATOM 1369 CD1 LEU A 92 6.876 7.859 1.971 1.00 0.00 C ATOM 1370 CD2 LEU A 92 6.592 7.643 -0.503 1.00 0.00 C ATOM 0 H LEU A 92 7.066 5.874 2.607 1.00 0.00 H new ATOM 0 HA LEU A 92 8.573 4.340 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.158 7.273 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.735 6.279 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 92 6.408 6.031 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.834 8.167 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.181 7.344 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.503 8.738 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.552 7.953 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.220 8.521 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.692 6.974 -1.358 1.00 0.00 H new ATOM 1382 N GLU A 93 11.058 4.561 1.350 1.00 0.00 N ATOM 1383 CA GLU A 93 12.473 4.496 1.822 1.00 0.00 C ATOM 1384 C GLU A 93 12.977 5.895 2.215 1.00 0.00 C ATOM 1385 O GLU A 93 14.119 6.060 2.594 1.00 0.00 O ATOM 1386 CB GLU A 93 13.344 3.933 0.695 1.00 0.00 C ATOM 1387 CG GLU A 93 12.777 4.379 -0.662 1.00 0.00 C ATOM 1388 CD GLU A 93 11.854 3.291 -1.221 1.00 0.00 C ATOM 1389 OE1 GLU A 93 10.658 3.383 -0.993 1.00 0.00 O ATOM 1390 OE2 GLU A 93 12.359 2.386 -1.864 1.00 0.00 O ATOM 0 H GLU A 93 10.875 4.066 0.477 1.00 0.00 H new ATOM 0 HA GLU A 93 12.530 3.851 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.371 4.283 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.370 2.845 0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.226 5.313 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.591 4.573 -1.361 1.00 0.00 H new ATOM 1397 N GLN A 94 12.142 6.897 2.133 1.00 0.00 N ATOM 1398 CA GLN A 94 12.573 8.277 2.506 1.00 0.00 C ATOM 1399 C GLN A 94 13.656 8.770 1.540 1.00 0.00 C ATOM 1400 O GLN A 94 13.722 9.941 1.220 1.00 0.00 O ATOM 1401 CB GLN A 94 13.123 8.283 3.936 1.00 0.00 C ATOM 1402 CG GLN A 94 12.221 7.438 4.840 1.00 0.00 C ATOM 1403 CD GLN A 94 12.468 7.807 6.305 1.00 0.00 C ATOM 1404 OE1 GLN A 94 13.092 8.809 6.594 1.00 0.00 O ATOM 1405 NE2 GLN A 94 12.003 7.034 7.248 1.00 0.00 N ATOM 0 H GLN A 94 11.174 6.818 1.822 1.00 0.00 H new ATOM 0 HA GLN A 94 11.711 8.941 2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.138 7.887 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.175 9.305 4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.175 7.605 4.584 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.422 6.378 4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.479 6.193 7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.163 7.271 8.227 1.00 0.00 H new ATOM 1414 N ARG A 95 14.505 7.896 1.072 1.00 0.00 N ATOM 1415 CA ARG A 95 15.575 8.331 0.131 1.00 0.00 C ATOM 1416 C ARG A 95 14.954 9.182 -0.979 1.00 0.00 C ATOM 1417 O ARG A 95 15.544 10.132 -1.455 1.00 0.00 O ATOM 1418 CB ARG A 95 16.268 7.090 -0.458 1.00 0.00 C ATOM 1419 CG ARG A 95 15.536 6.595 -1.717 1.00 0.00 C ATOM 1420 CD ARG A 95 15.979 7.400 -2.950 1.00 0.00 C ATOM 1421 NE ARG A 95 16.739 6.508 -3.872 1.00 0.00 N ATOM 1422 CZ ARG A 95 17.042 6.919 -5.073 1.00 0.00 C ATOM 1423 NH1 ARG A 95 17.708 6.139 -5.880 1.00 0.00 N ATOM 1424 NH2 ARG A 95 16.679 8.109 -5.467 1.00 0.00 N ATOM 0 H ARG A 95 14.504 6.902 1.300 1.00 0.00 H new ATOM 0 HA ARG A 95 16.319 8.930 0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 95 17.302 7.330 -0.705 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.294 6.295 0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.744 5.536 -1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.459 6.692 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.109 7.814 -3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.600 8.242 -2.645 1.00 0.00 H new ATOM 0 HE ARG A 95 17.022 5.578 -3.564 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.991 5.209 -5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 95 17.945 6.460 -6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 95 16.158 8.718 -4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 95 16.916 8.430 -6.406 1.00 0.00 H new ATOM 1438 N LEU A 96 13.763 8.848 -1.389 1.00 0.00 N ATOM 1439 CA LEU A 96 13.090 9.634 -2.464 1.00 0.00 C ATOM 1440 C LEU A 96 12.244 10.739 -1.831 1.00 0.00 C ATOM 1441 O LEU A 96 12.225 10.906 -0.627 1.00 0.00 O ATOM 1442 CB LEU A 96 12.190 8.706 -3.291 1.00 0.00 C ATOM 1443 CG LEU A 96 11.181 7.993 -2.372 1.00 0.00 C ATOM 1444 CD1 LEU A 96 9.820 8.691 -2.446 1.00 0.00 C ATOM 1445 CD2 LEU A 96 11.019 6.536 -2.818 1.00 0.00 C ATOM 0 H LEU A 96 13.224 8.062 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 96 13.842 10.080 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.660 9.282 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.798 7.970 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 96 11.552 8.028 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.113 8.180 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.925 9.728 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.452 8.663 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.304 6.033 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.655 6.508 -3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.982 6.029 -2.760 1.00 0.00 H new ATOM 1457 N ALA A 97 11.543 11.494 -2.629 1.00 0.00 N ATOM 1458 CA ALA A 97 10.698 12.588 -2.070 1.00 0.00 C ATOM 1459 C ALA A 97 9.623 12.973 -3.087 1.00 0.00 C ATOM 1460 O ALA A 97 9.329 12.234 -4.004 1.00 0.00 O ATOM 1461 CB ALA A 97 11.574 13.805 -1.767 1.00 0.00 C ATOM 0 H ALA A 97 11.518 11.402 -3.645 1.00 0.00 H new ATOM 0 HA ALA A 97 10.222 12.246 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.957 14.605 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.340 13.531 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.051 14.148 -2.685 1.00 0.00 H new ATOM 1467 N ALA A 98 9.031 14.126 -2.930 1.00 0.00 N ATOM 1468 CA ALA A 98 7.976 14.557 -3.888 1.00 0.00 C ATOM 1469 C ALA A 98 8.636 15.034 -5.187 1.00 0.00 C ATOM 1470 O ALA A 98 9.759 15.500 -5.181 1.00 0.00 O ATOM 1471 CB ALA A 98 7.167 15.702 -3.271 1.00 0.00 C ATOM 0 H ALA A 98 9.233 14.787 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 98 7.312 13.720 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.394 16.019 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.702 15.362 -2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.829 16.541 -3.057 1.00 0.00 H new ATOM 1477 N PRO A 99 7.948 14.919 -6.294 1.00 0.00 N ATOM 1478 CA PRO A 99 8.481 15.348 -7.621 1.00 0.00 C ATOM 1479 C PRO A 99 8.590 16.872 -7.732 1.00 0.00 C ATOM 1480 O PRO A 99 7.887 17.552 -7.003 1.00 0.00 O ATOM 1481 CB PRO A 99 7.454 14.805 -8.620 1.00 0.00 C ATOM 1482 CG PRO A 99 6.182 14.683 -7.847 1.00 0.00 C ATOM 1483 CD PRO A 99 6.585 14.369 -6.405 1.00 0.00 C ATOM 1484 OXT PRO A 99 9.376 17.332 -8.545 1.00 0.00 O ATOM 0 HA PRO A 99 9.490 14.975 -7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.336 15.479 -9.469 1.00 0.00 H new ATOM 0 HB3 PRO A 99 7.766 13.840 -9.020 1.00 0.00 H new ATOM 0 HG2 PRO A 99 5.606 15.607 -7.897 1.00 0.00 H new ATOM 0 HG3 PRO A 99 5.553 13.893 -8.256 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.906 14.834 -5.690 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.569 13.297 -6.209 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 7.873 -6.862 2.750 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -12.835 -3.403 0.068 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -2.910 -6.533 -5.065 1.00 0.00 ZN