USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 551 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 48 THR OG1 : rot 180:sc= 0.535 USER MOD Set 1.2: A 50 THR OG1 : rot 69:sc= 0.564 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.256 K(o=0.36,f=-2.2!) USER MOD Set 2.2: A 33 TYR OH : rot -96:sc= 0.104 USER MOD Set 3.1: A 8 TYR OH : rot -177:sc= -0.276! USER MOD Set 3.2: A 16 TYR OH : rot 157:sc= -1.95! USER MOD Set 4.1: A 2 SER OG : rot 90:sc= 0.15 USER MOD Set 4.2: A 51 HIS : no HD1:sc= -4.85! C(o=-4.7!,f=-7.8!) USER MOD Single : A 1 ASP N :NH3+ -147:sc= -0.336 (180deg=-2.66!) USER MOD Single : A 4 MET CE :methyl -150:sc= -0.497 (180deg=-2.37!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0515) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -53:sc= 1.11 USER MOD Single : A 34 ASN : amide:sc= -9.7! C(o=-9.7!,f=-19!) USER MOD Single : A 35 ASN : amide:sc= -7.19! C(o=-7.2!,f=-22!) USER MOD Single : A 38 MET CE :methyl -141:sc= -0.313 (180deg=-1.62!) USER MOD Single : A 41 HIS : no HE2:sc= 0.207 K(o=0.21,f=-4.9!) USER MOD Single : A 43 ASN : amide:sc= -3.12 K(o=-3.1,f=-4!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= -1.96! C(o=-2!,f=-6.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -15.571 -11.848 8.208 1.00 0.00 N ATOM 2 CA ASP A 1 -14.085 -11.777 8.296 1.00 0.00 C ATOM 3 C ASP A 1 -13.631 -10.331 8.090 1.00 0.00 C ATOM 4 O ASP A 1 -14.435 -9.429 7.964 1.00 0.00 O ATOM 5 CB ASP A 1 -13.465 -12.661 7.213 1.00 0.00 C ATOM 6 CG ASP A 1 -13.835 -14.123 7.475 1.00 0.00 C ATOM 7 OD1 ASP A 1 -14.280 -14.414 8.572 1.00 0.00 O ATOM 8 OD2 ASP A 1 -13.665 -14.926 6.572 1.00 0.00 O ATOM 0 H1 ASP A 1 -15.922 -12.589 8.848 1.00 0.00 H new ATOM 0 H2 ASP A 1 -15.979 -10.932 8.483 1.00 0.00 H new ATOM 0 H3 ASP A 1 -15.851 -12.073 7.232 1.00 0.00 H new ATOM 0 HA ASP A 1 -13.764 -12.125 9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -13.822 -12.355 6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -12.381 -12.544 7.209 1.00 0.00 H new ATOM 15 N SER A 2 -12.347 -10.104 8.052 1.00 0.00 N ATOM 16 CA SER A 2 -11.844 -8.718 7.850 1.00 0.00 C ATOM 17 C SER A 2 -12.396 -8.168 6.536 1.00 0.00 C ATOM 18 O SER A 2 -12.720 -7.002 6.425 1.00 0.00 O ATOM 19 CB SER A 2 -10.318 -8.730 7.795 1.00 0.00 C ATOM 20 OG SER A 2 -9.796 -8.846 9.111 1.00 0.00 O ATOM 0 H SER A 2 -11.626 -10.818 8.152 1.00 0.00 H new ATOM 0 HA SER A 2 -12.170 -8.088 8.677 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.972 -9.562 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.953 -7.815 7.327 1.00 0.00 H new ATOM 0 HG SER A 2 -9.683 -9.793 9.336 1.00 0.00 H new ATOM 26 N GLU A 3 -12.508 -9.002 5.539 1.00 0.00 N ATOM 27 CA GLU A 3 -13.044 -8.530 4.233 1.00 0.00 C ATOM 28 C GLU A 3 -14.400 -7.868 4.464 1.00 0.00 C ATOM 29 O GLU A 3 -14.822 -7.011 3.713 1.00 0.00 O ATOM 30 CB GLU A 3 -13.210 -9.720 3.289 1.00 0.00 C ATOM 31 CG GLU A 3 -11.989 -9.816 2.371 1.00 0.00 C ATOM 32 CD GLU A 3 -12.112 -11.058 1.487 1.00 0.00 C ATOM 33 OE1 GLU A 3 -13.228 -11.514 1.293 1.00 0.00 O ATOM 34 OE2 GLU A 3 -11.090 -11.533 1.019 1.00 0.00 O ATOM 0 H GLU A 3 -12.252 -9.989 5.573 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.354 -7.813 3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.321 -10.640 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.117 -9.603 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.915 -8.922 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.077 -9.869 2.966 1.00 0.00 H new ATOM 41 N MET A 4 -15.082 -8.254 5.507 1.00 0.00 N ATOM 42 CA MET A 4 -16.408 -7.642 5.798 1.00 0.00 C ATOM 43 C MET A 4 -16.189 -6.239 6.360 1.00 0.00 C ATOM 44 O MET A 4 -17.038 -5.376 6.256 1.00 0.00 O ATOM 45 CB MET A 4 -17.150 -8.492 6.831 1.00 0.00 C ATOM 46 CG MET A 4 -17.208 -9.943 6.353 1.00 0.00 C ATOM 47 SD MET A 4 -18.284 -10.059 4.902 1.00 0.00 S ATOM 48 CE MET A 4 -19.773 -9.366 5.663 1.00 0.00 C ATOM 0 H MET A 4 -14.778 -8.967 6.170 1.00 0.00 H new ATOM 0 HA MET A 4 -17.000 -7.590 4.884 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.644 -8.436 7.795 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.159 -8.106 6.978 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.207 -10.296 6.105 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.584 -10.585 7.150 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.657 -9.799 5.194 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.778 -9.596 6.728 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.782 -8.285 5.525 1.00 0.00 H new ATOM 58 N CYS A 5 -15.051 -6.007 6.954 1.00 0.00 N ATOM 59 CA CYS A 5 -14.768 -4.663 7.524 1.00 0.00 C ATOM 60 C CYS A 5 -14.326 -3.719 6.404 1.00 0.00 C ATOM 61 O CYS A 5 -14.370 -2.513 6.541 1.00 0.00 O ATOM 62 CB CYS A 5 -13.652 -4.775 8.564 1.00 0.00 C ATOM 63 SG CYS A 5 -14.077 -6.047 9.770 1.00 0.00 S ATOM 0 H CYS A 5 -14.304 -6.693 7.069 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.668 -4.272 7.997 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.709 -5.022 8.076 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -13.510 -3.817 9.065 1.00 0.00 H new ATOM 68 N LYS A 6 -13.898 -4.259 5.296 1.00 0.00 N ATOM 69 CA LYS A 6 -13.452 -3.392 4.170 1.00 0.00 C ATOM 70 C LYS A 6 -14.672 -2.880 3.400 1.00 0.00 C ATOM 71 O LYS A 6 -14.541 -2.233 2.381 1.00 0.00 O ATOM 72 CB LYS A 6 -12.567 -4.200 3.218 1.00 0.00 C ATOM 73 CG LYS A 6 -11.463 -4.906 4.008 1.00 0.00 C ATOM 74 CD LYS A 6 -10.446 -5.502 3.032 1.00 0.00 C ATOM 75 CE LYS A 6 -9.232 -6.018 3.807 1.00 0.00 C ATOM 76 NZ LYS A 6 -8.000 -5.344 3.308 1.00 0.00 N ATOM 0 H LYS A 6 -13.838 -5.262 5.122 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.889 -2.549 4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.169 -4.934 2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.127 -3.541 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.971 -4.201 4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.891 -5.692 4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.902 -6.315 2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.135 -4.748 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.359 -5.825 4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.143 -7.098 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.175 -5.695 3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.878 -5.550 2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.087 -4.317 3.445 1.00 0.00 H new ATOM 90 N ASP A 7 -15.856 -3.170 3.865 1.00 0.00 N ATOM 91 CA ASP A 7 -17.068 -2.700 3.135 1.00 0.00 C ATOM 92 C ASP A 7 -18.022 -1.979 4.092 1.00 0.00 C ATOM 93 O ASP A 7 -19.108 -1.589 3.712 1.00 0.00 O ATOM 94 CB ASP A 7 -17.782 -3.903 2.514 1.00 0.00 C ATOM 95 CG ASP A 7 -16.930 -4.469 1.375 1.00 0.00 C ATOM 96 OD1 ASP A 7 -15.960 -3.824 1.011 1.00 0.00 O ATOM 97 OD2 ASP A 7 -17.263 -5.536 0.887 1.00 0.00 O ATOM 0 H ASP A 7 -16.037 -3.708 4.713 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.763 -2.004 2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.952 -4.669 3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -18.760 -3.604 2.137 1.00 0.00 H new ATOM 102 N TYR A 8 -17.635 -1.790 5.325 1.00 0.00 N ATOM 103 CA TYR A 8 -18.544 -1.086 6.275 1.00 0.00 C ATOM 104 C TYR A 8 -17.853 0.176 6.807 1.00 0.00 C ATOM 105 O TYR A 8 -16.646 0.232 6.924 1.00 0.00 O ATOM 106 CB TYR A 8 -18.915 -2.031 7.435 1.00 0.00 C ATOM 107 CG TYR A 8 -17.947 -1.870 8.588 1.00 0.00 C ATOM 108 CD1 TYR A 8 -16.598 -2.201 8.421 1.00 0.00 C ATOM 109 CD2 TYR A 8 -18.402 -1.385 9.819 1.00 0.00 C ATOM 110 CE1 TYR A 8 -15.702 -2.048 9.485 1.00 0.00 C ATOM 111 CE2 TYR A 8 -17.506 -1.230 10.884 1.00 0.00 C ATOM 112 CZ TYR A 8 -16.156 -1.563 10.717 1.00 0.00 C ATOM 113 OH TYR A 8 -15.274 -1.410 11.767 1.00 0.00 O ATOM 0 H TYR A 8 -16.740 -2.088 5.712 1.00 0.00 H new ATOM 0 HA TYR A 8 -19.458 -0.793 5.759 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -19.929 -1.819 7.773 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -18.905 -3.064 7.087 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.248 -2.575 7.470 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -19.444 -1.130 9.948 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.661 -2.304 9.356 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -17.856 -0.854 11.834 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.762 -1.115 12.564 1.00 0.00 H new ATOM 123 N ARG A 9 -18.612 1.184 7.135 1.00 0.00 N ATOM 124 CA ARG A 9 -18.002 2.436 7.663 1.00 0.00 C ATOM 125 C ARG A 9 -18.751 2.866 8.925 1.00 0.00 C ATOM 126 O ARG A 9 -19.964 2.925 8.950 1.00 0.00 O ATOM 127 CB ARG A 9 -18.094 3.538 6.606 1.00 0.00 C ATOM 128 CG ARG A 9 -17.042 3.285 5.526 1.00 0.00 C ATOM 129 CD ARG A 9 -16.985 4.481 4.574 1.00 0.00 C ATOM 130 NE ARG A 9 -16.303 4.076 3.312 1.00 0.00 N ATOM 131 CZ ARG A 9 -16.328 4.866 2.273 1.00 0.00 C ATOM 132 NH1 ARG A 9 -15.917 6.100 2.380 1.00 0.00 N ATOM 133 NH2 ARG A 9 -16.761 4.420 1.126 1.00 0.00 N ATOM 0 H ARG A 9 -19.629 1.195 7.060 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.954 2.260 7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.090 3.553 6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.934 4.514 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.066 3.126 5.985 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.285 2.378 4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.993 4.837 4.358 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.449 5.307 5.041 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.816 3.181 3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.576 6.448 3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.937 6.716 1.568 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.080 3.455 1.042 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.781 5.037 0.314 1.00 0.00 H new ATOM 147 N VAL A 10 -18.037 3.157 9.976 1.00 0.00 N ATOM 148 CA VAL A 10 -18.710 3.571 11.238 1.00 0.00 C ATOM 149 C VAL A 10 -18.294 4.993 11.613 1.00 0.00 C ATOM 150 O VAL A 10 -17.195 5.427 11.332 1.00 0.00 O ATOM 151 CB VAL A 10 -18.307 2.616 12.365 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.810 3.165 13.701 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.922 1.239 12.113 1.00 0.00 C ATOM 0 H VAL A 10 -17.018 3.126 10.016 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.790 3.540 11.092 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.221 2.526 12.395 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.524 2.486 14.504 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.369 4.146 13.880 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.896 3.255 13.672 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.635 0.560 12.916 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -20.008 1.326 12.082 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.562 0.849 11.161 1.00 0.00 H new ATOM 163 N LEU A 11 -19.166 5.718 12.257 1.00 0.00 N ATOM 164 CA LEU A 11 -18.833 7.109 12.668 1.00 0.00 C ATOM 165 C LEU A 11 -19.112 7.264 14.164 1.00 0.00 C ATOM 166 O LEU A 11 -19.617 6.362 14.802 1.00 0.00 O ATOM 167 CB LEU A 11 -19.697 8.095 11.878 1.00 0.00 C ATOM 168 CG LEU A 11 -18.814 8.883 10.907 1.00 0.00 C ATOM 169 CD1 LEU A 11 -18.527 8.027 9.674 1.00 0.00 C ATOM 170 CD2 LEU A 11 -19.535 10.164 10.483 1.00 0.00 C ATOM 0 H LEU A 11 -20.101 5.404 12.517 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.782 7.314 12.467 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.471 7.558 11.329 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.205 8.777 12.560 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.876 9.142 11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -17.898 8.586 8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.012 7.115 9.976 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.466 7.768 9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -18.905 10.724 9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.474 9.908 9.992 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.740 10.774 11.363 1.00 0.00 H new ATOM 182 N PRO A 12 -18.780 8.431 14.733 1.00 0.00 N ATOM 183 CA PRO A 12 -18.999 8.703 16.159 1.00 0.00 C ATOM 184 C PRO A 12 -20.490 8.777 16.500 1.00 0.00 C ATOM 185 O PRO A 12 -20.888 8.591 17.633 1.00 0.00 O ATOM 186 CB PRO A 12 -18.344 10.070 16.365 1.00 0.00 C ATOM 187 CG PRO A 12 -18.365 10.699 15.014 1.00 0.00 C ATOM 188 CD PRO A 12 -18.167 9.575 14.038 1.00 0.00 C ATOM 0 HA PRO A 12 -18.588 7.919 16.795 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.894 10.669 17.091 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.326 9.970 16.741 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.311 11.210 14.835 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.576 11.445 14.917 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -18.653 9.777 13.084 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.111 9.403 13.828 1.00 0.00 H new ATOM 196 N ARG A 13 -21.318 9.046 15.528 1.00 0.00 N ATOM 197 CA ARG A 13 -22.782 9.132 15.795 1.00 0.00 C ATOM 198 C ARG A 13 -23.466 7.847 15.327 1.00 0.00 C ATOM 199 O ARG A 13 -24.482 7.445 15.859 1.00 0.00 O ATOM 200 CB ARG A 13 -23.370 10.320 15.031 1.00 0.00 C ATOM 201 CG ARG A 13 -22.900 11.626 15.670 1.00 0.00 C ATOM 202 CD ARG A 13 -23.570 12.806 14.963 1.00 0.00 C ATOM 203 NE ARG A 13 -22.919 14.075 15.388 1.00 0.00 N ATOM 204 CZ ARG A 13 -22.625 14.267 16.645 1.00 0.00 C ATOM 205 NH1 ARG A 13 -23.542 14.106 17.560 1.00 0.00 N ATOM 206 NH2 ARG A 13 -21.415 14.614 16.986 1.00 0.00 N ATOM 0 H ARG A 13 -21.044 9.210 14.559 1.00 0.00 H new ATOM 0 HA ARG A 13 -22.945 9.264 16.865 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.060 10.283 13.987 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -24.459 10.269 15.042 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -23.148 11.635 16.731 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -21.816 11.711 15.596 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -23.491 12.689 13.882 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -24.633 12.832 15.204 1.00 0.00 H new ATOM 0 HE ARG A 13 -22.703 14.794 14.698 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -24.487 13.830 17.292 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -23.314 14.256 18.543 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -20.698 14.735 16.270 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -21.185 14.764 17.968 1.00 0.00 H new ATOM 220 N ILE A 14 -22.922 7.201 14.333 1.00 0.00 N ATOM 221 CA ILE A 14 -23.547 5.947 13.829 1.00 0.00 C ATOM 222 C ILE A 14 -23.176 4.784 14.749 1.00 0.00 C ATOM 223 O ILE A 14 -24.022 4.018 15.167 1.00 0.00 O ATOM 224 CB ILE A 14 -23.042 5.659 12.412 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.418 6.820 11.489 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.681 4.370 11.895 1.00 0.00 C ATOM 227 CD1 ILE A 14 -22.691 6.667 10.152 1.00 0.00 C ATOM 0 H ILE A 14 -22.072 7.488 13.848 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.631 6.064 13.812 1.00 0.00 H new ATOM 0 HB ILE A 14 -21.958 5.546 12.430 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.496 6.836 11.329 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.150 7.769 11.954 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.322 4.165 10.887 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.413 3.542 12.551 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.765 4.483 11.878 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -22.959 7.494 9.495 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -21.614 6.672 10.321 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -22.981 5.725 9.686 1.00 0.00 H new ATOM 239 N GLY A 15 -21.919 4.643 15.067 1.00 0.00 N ATOM 240 CA GLY A 15 -21.499 3.528 15.958 1.00 0.00 C ATOM 241 C GLY A 15 -21.355 2.248 15.132 1.00 0.00 C ATOM 242 O GLY A 15 -21.358 2.281 13.918 1.00 0.00 O ATOM 0 H GLY A 15 -21.165 5.252 14.748 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.553 3.771 16.442 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.234 3.383 16.750 1.00 0.00 H new ATOM 246 N TYR A 16 -21.228 1.120 15.776 1.00 0.00 N ATOM 247 CA TYR A 16 -21.085 -0.154 15.018 1.00 0.00 C ATOM 248 C TYR A 16 -22.443 -0.850 14.923 1.00 0.00 C ATOM 249 O TYR A 16 -23.260 -0.765 15.818 1.00 0.00 O ATOM 250 CB TYR A 16 -20.091 -1.072 15.732 1.00 0.00 C ATOM 251 CG TYR A 16 -19.297 -1.844 14.705 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.940 -2.768 13.873 1.00 0.00 C ATOM 253 CD2 TYR A 16 -17.918 -1.631 14.582 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.205 -3.477 12.916 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.184 -2.342 13.626 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.828 -3.265 12.793 1.00 0.00 C ATOM 257 OH TYR A 16 -17.105 -3.963 11.847 1.00 0.00 O ATOM 0 H TYR A 16 -21.217 1.026 16.792 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.718 0.065 14.015 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.421 -0.484 16.359 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.622 -1.760 16.390 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -21.003 -2.934 13.970 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.422 -0.919 15.224 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.701 -4.188 12.272 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.121 -2.179 13.531 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.286 -3.470 11.631 1.00 0.00 H new ATOM 267 N LEU A 17 -22.689 -1.539 13.842 1.00 0.00 N ATOM 268 CA LEU A 17 -23.993 -2.243 13.685 1.00 0.00 C ATOM 269 C LEU A 17 -23.750 -3.750 13.567 1.00 0.00 C ATOM 270 O LEU A 17 -23.069 -4.211 12.672 1.00 0.00 O ATOM 271 CB LEU A 17 -24.693 -1.739 12.422 1.00 0.00 C ATOM 272 CG LEU A 17 -26.061 -2.413 12.291 1.00 0.00 C ATOM 273 CD1 LEU A 17 -27.028 -1.809 13.312 1.00 0.00 C ATOM 274 CD2 LEU A 17 -26.606 -2.189 10.879 1.00 0.00 C ATOM 0 H LEU A 17 -22.042 -1.645 13.060 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.621 -2.044 14.554 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.812 -0.656 12.467 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.084 -1.956 11.545 1.00 0.00 H new ATOM 0 HG LEU A 17 -25.958 -3.482 12.476 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -28.002 -2.289 13.219 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -26.640 -1.967 14.318 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -27.131 -0.740 13.127 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -27.580 -2.669 10.785 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.709 -1.120 10.694 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.918 -2.619 10.151 1.00 0.00 H new ATOM 286 N CYS A 18 -24.307 -4.520 14.461 1.00 0.00 N ATOM 287 CA CYS A 18 -24.117 -5.997 14.400 1.00 0.00 C ATOM 288 C CYS A 18 -25.481 -6.681 14.480 1.00 0.00 C ATOM 289 O CYS A 18 -26.435 -6.127 14.989 1.00 0.00 O ATOM 290 CB CYS A 18 -23.249 -6.453 15.576 1.00 0.00 C ATOM 291 SG CYS A 18 -21.632 -5.644 15.480 1.00 0.00 S ATOM 0 H CYS A 18 -24.887 -4.189 15.233 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.625 -6.264 13.465 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.736 -6.206 16.519 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.128 -7.536 15.554 1.00 0.00 H new ATOM 296 N PRO A 19 -25.571 -7.913 13.963 1.00 0.00 N ATOM 297 CA PRO A 19 -26.817 -8.685 13.971 1.00 0.00 C ATOM 298 C PRO A 19 -27.197 -9.131 15.382 1.00 0.00 C ATOM 299 O PRO A 19 -26.390 -9.109 16.291 1.00 0.00 O ATOM 300 CB PRO A 19 -26.489 -9.904 13.109 1.00 0.00 C ATOM 301 CG PRO A 19 -25.007 -10.042 13.201 1.00 0.00 C ATOM 302 CD PRO A 19 -24.462 -8.647 13.334 1.00 0.00 C ATOM 0 HA PRO A 19 -27.662 -8.102 13.604 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -26.994 -10.797 13.477 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.810 -9.758 12.078 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.726 -10.653 14.059 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.606 -10.533 12.314 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.563 -8.623 13.949 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.197 -8.224 12.365 1.00 0.00 H new ATOM 310 N LYS A 20 -28.420 -9.537 15.573 1.00 0.00 N ATOM 311 CA LYS A 20 -28.851 -9.984 16.926 1.00 0.00 C ATOM 312 C LYS A 20 -28.595 -11.485 17.071 1.00 0.00 C ATOM 313 O LYS A 20 -28.736 -12.047 18.139 1.00 0.00 O ATOM 314 CB LYS A 20 -30.344 -9.700 17.108 1.00 0.00 C ATOM 315 CG LYS A 20 -30.602 -8.199 16.958 1.00 0.00 C ATOM 316 CD LYS A 20 -32.089 -7.913 17.178 1.00 0.00 C ATOM 317 CE LYS A 20 -32.370 -6.435 16.907 1.00 0.00 C ATOM 318 NZ LYS A 20 -31.840 -5.613 18.032 1.00 0.00 N ATOM 0 H LYS A 20 -29.140 -9.579 14.851 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.285 -9.443 17.685 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.923 -10.255 16.369 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.672 -10.039 18.090 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.003 -7.642 17.679 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.299 -7.864 15.966 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.692 -8.536 16.517 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.372 -8.166 18.200 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -31.904 -6.131 15.970 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -33.442 -6.272 16.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -32.120 -4.620 17.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -32.228 -5.964 18.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -30.802 -5.681 18.053 1.00 0.00 H new ATOM 332 N ASP A 21 -28.219 -12.138 16.006 1.00 0.00 N ATOM 333 CA ASP A 21 -27.953 -13.600 16.086 1.00 0.00 C ATOM 334 C ASP A 21 -26.631 -13.836 16.819 1.00 0.00 C ATOM 335 O ASP A 21 -25.589 -13.369 16.405 1.00 0.00 O ATOM 336 CB ASP A 21 -27.862 -14.180 14.674 1.00 0.00 C ATOM 337 CG ASP A 21 -29.221 -14.053 13.982 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.184 -13.741 14.663 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.276 -14.268 12.782 1.00 0.00 O ATOM 0 H ASP A 21 -28.085 -11.722 15.085 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.763 -14.088 16.628 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.099 -13.652 14.101 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.561 -15.227 14.718 1.00 0.00 H new ATOM 344 N LEU A 22 -26.666 -14.555 17.906 1.00 0.00 N ATOM 345 CA LEU A 22 -25.411 -14.819 18.666 1.00 0.00 C ATOM 346 C LEU A 22 -24.652 -15.972 18.009 1.00 0.00 C ATOM 347 O LEU A 22 -25.176 -17.055 17.839 1.00 0.00 O ATOM 348 CB LEU A 22 -25.758 -15.191 20.109 1.00 0.00 C ATOM 349 CG LEU A 22 -24.484 -15.213 20.959 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.633 -16.428 20.580 1.00 0.00 C ATOM 351 CD2 LEU A 22 -23.681 -13.934 20.715 1.00 0.00 C ATOM 0 H LEU A 22 -27.509 -14.972 18.302 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.787 -13.925 18.662 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.468 -14.472 20.519 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.242 -16.167 20.136 1.00 0.00 H new ATOM 0 HG LEU A 22 -24.757 -15.275 22.013 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.727 -16.441 21.186 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -24.202 -17.341 20.758 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.363 -16.369 19.526 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -22.775 -13.952 21.321 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.411 -13.869 19.661 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.284 -13.068 20.989 1.00 0.00 H new ATOM 363 N LYS A 23 -23.421 -15.750 17.642 1.00 0.00 N ATOM 364 CA LYS A 23 -22.629 -16.837 17.001 1.00 0.00 C ATOM 365 C LYS A 23 -21.161 -16.704 17.410 1.00 0.00 C ATOM 366 O LYS A 23 -20.449 -15.846 16.927 1.00 0.00 O ATOM 367 CB LYS A 23 -22.752 -16.731 15.479 1.00 0.00 C ATOM 368 CG LYS A 23 -24.129 -17.234 15.044 1.00 0.00 C ATOM 369 CD LYS A 23 -24.166 -17.373 13.521 1.00 0.00 C ATOM 370 CE LYS A 23 -25.467 -16.774 12.984 1.00 0.00 C ATOM 371 NZ LYS A 23 -26.042 -17.682 11.951 1.00 0.00 N ATOM 0 H LYS A 23 -22.929 -14.864 17.758 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.009 -17.806 17.325 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.614 -15.697 15.163 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.970 -17.318 14.998 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.341 -18.195 15.512 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.902 -16.541 15.375 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.309 -16.865 13.078 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -24.094 -18.424 13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -26.179 -16.634 13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -25.277 -15.791 12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -26.927 -17.276 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -25.364 -17.794 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -26.237 -18.611 12.375 1.00 0.00 H new ATOM 385 N PRO A 24 -20.704 -17.578 18.321 1.00 0.00 N ATOM 386 CA PRO A 24 -19.318 -17.571 18.811 1.00 0.00 C ATOM 387 C PRO A 24 -18.319 -17.913 17.705 1.00 0.00 C ATOM 388 O PRO A 24 -18.409 -18.945 17.074 1.00 0.00 O ATOM 389 CB PRO A 24 -19.315 -18.663 19.884 1.00 0.00 C ATOM 390 CG PRO A 24 -20.444 -19.558 19.501 1.00 0.00 C ATOM 391 CD PRO A 24 -21.501 -18.650 18.943 1.00 0.00 C ATOM 0 HA PRO A 24 -19.019 -16.591 19.181 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.368 -19.202 19.900 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.460 -18.243 20.879 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.128 -20.294 18.762 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.817 -20.111 20.363 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.132 -19.161 18.216 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.159 -18.266 19.722 1.00 0.00 H new ATOM 399 N VAL A 25 -17.368 -17.053 17.462 1.00 0.00 N ATOM 400 CA VAL A 25 -16.369 -17.339 16.395 1.00 0.00 C ATOM 401 C VAL A 25 -14.972 -17.415 17.007 1.00 0.00 C ATOM 402 O VAL A 25 -14.697 -16.823 18.031 1.00 0.00 O ATOM 403 CB VAL A 25 -16.393 -16.223 15.349 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.753 -16.195 14.654 1.00 0.00 C ATOM 405 CG2 VAL A 25 -16.141 -14.879 16.033 1.00 0.00 C ATOM 0 H VAL A 25 -17.240 -16.169 17.954 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.618 -18.289 15.923 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.615 -16.407 14.608 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.765 -15.399 13.910 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.931 -17.152 14.164 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.535 -16.014 15.392 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.158 -14.083 15.289 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.918 -14.698 16.776 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.167 -14.897 16.523 1.00 0.00 H new ATOM 415 N CYS A 26 -14.080 -18.129 16.377 1.00 0.00 N ATOM 416 CA CYS A 26 -12.696 -18.230 16.915 1.00 0.00 C ATOM 417 C CYS A 26 -11.812 -17.207 16.199 1.00 0.00 C ATOM 418 O CYS A 26 -11.910 -17.020 15.004 1.00 0.00 O ATOM 419 CB CYS A 26 -12.146 -19.639 16.672 1.00 0.00 C ATOM 420 SG CYS A 26 -10.441 -19.733 17.273 1.00 0.00 S ATOM 0 H CYS A 26 -14.250 -18.646 15.514 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.704 -18.031 17.987 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.765 -20.376 17.184 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.182 -19.877 15.609 1.00 0.00 H new ATOM 425 N GLY A 27 -10.955 -16.540 16.917 1.00 0.00 N ATOM 426 CA GLY A 27 -10.069 -15.532 16.274 1.00 0.00 C ATOM 427 C GLY A 27 -8.755 -16.201 15.865 1.00 0.00 C ATOM 428 O GLY A 27 -8.211 -17.012 16.587 1.00 0.00 O ATOM 0 H GLY A 27 -10.829 -16.649 17.923 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.560 -15.104 15.400 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.873 -14.711 16.963 1.00 0.00 H new ATOM 432 N ASP A 28 -8.241 -15.868 14.712 1.00 0.00 N ATOM 433 CA ASP A 28 -6.962 -16.491 14.263 1.00 0.00 C ATOM 434 C ASP A 28 -5.807 -15.951 15.107 1.00 0.00 C ATOM 435 O ASP A 28 -4.687 -16.414 15.012 1.00 0.00 O ATOM 436 CB ASP A 28 -6.722 -16.161 12.790 1.00 0.00 C ATOM 437 CG ASP A 28 -5.484 -16.910 12.292 1.00 0.00 C ATOM 438 OD1 ASP A 28 -5.008 -17.772 13.012 1.00 0.00 O ATOM 439 OD2 ASP A 28 -5.033 -16.609 11.199 1.00 0.00 O ATOM 0 H ASP A 28 -8.649 -15.194 14.064 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.022 -17.573 14.384 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.593 -16.442 12.197 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.585 -15.087 12.665 1.00 0.00 H new ATOM 444 N ASP A 29 -6.068 -14.978 15.937 1.00 0.00 N ATOM 445 CA ASP A 29 -4.984 -14.416 16.789 1.00 0.00 C ATOM 446 C ASP A 29 -4.917 -15.192 18.107 1.00 0.00 C ATOM 447 O ASP A 29 -4.148 -14.869 18.991 1.00 0.00 O ATOM 448 CB ASP A 29 -5.277 -12.943 17.080 1.00 0.00 C ATOM 449 CG ASP A 29 -6.580 -12.829 17.874 1.00 0.00 C ATOM 450 OD1 ASP A 29 -7.112 -13.860 18.254 1.00 0.00 O ATOM 451 OD2 ASP A 29 -7.024 -11.714 18.088 1.00 0.00 O ATOM 0 H ASP A 29 -6.985 -14.549 16.061 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.031 -14.501 16.268 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.455 -12.502 17.644 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.358 -12.386 16.147 1.00 0.00 H new ATOM 456 N GLY A 30 -5.718 -16.215 18.247 1.00 0.00 N ATOM 457 CA GLY A 30 -5.700 -17.007 19.508 1.00 0.00 C ATOM 458 C GLY A 30 -6.793 -16.492 20.447 1.00 0.00 C ATOM 459 O GLY A 30 -6.821 -16.812 21.619 1.00 0.00 O ATOM 0 H GLY A 30 -6.383 -16.535 17.543 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.860 -18.063 19.290 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.725 -16.925 19.988 1.00 0.00 H new ATOM 463 N GLN A 31 -7.694 -15.695 19.941 1.00 0.00 N ATOM 464 CA GLN A 31 -8.785 -15.158 20.803 1.00 0.00 C ATOM 465 C GLN A 31 -10.137 -15.629 20.264 1.00 0.00 C ATOM 466 O GLN A 31 -10.221 -16.239 19.218 1.00 0.00 O ATOM 467 CB GLN A 31 -8.739 -13.629 20.791 1.00 0.00 C ATOM 468 CG GLN A 31 -7.555 -13.146 21.634 1.00 0.00 C ATOM 469 CD GLN A 31 -7.293 -11.666 21.344 1.00 0.00 C ATOM 470 OE1 GLN A 31 -7.997 -11.053 20.566 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.303 -11.063 21.942 1.00 0.00 N ATOM 0 H GLN A 31 -7.722 -15.392 18.967 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.653 -15.518 21.823 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.643 -13.266 19.768 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.670 -13.224 21.187 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.767 -13.288 22.694 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.667 -13.735 21.405 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.712 -11.578 22.595 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.120 -10.077 21.757 1.00 0.00 H new ATOM 480 N THR A 32 -11.196 -15.347 20.971 1.00 0.00 N ATOM 481 CA THR A 32 -12.543 -15.774 20.500 1.00 0.00 C ATOM 482 C THR A 32 -13.531 -14.623 20.682 1.00 0.00 C ATOM 483 O THR A 32 -13.531 -13.946 21.691 1.00 0.00 O ATOM 484 CB THR A 32 -13.014 -16.981 21.314 1.00 0.00 C ATOM 485 OG1 THR A 32 -11.993 -17.968 21.327 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.278 -17.557 20.678 1.00 0.00 C ATOM 0 H THR A 32 -11.187 -14.839 21.855 1.00 0.00 H new ATOM 0 HA THR A 32 -12.488 -16.048 19.446 1.00 0.00 H new ATOM 0 HB THR A 32 -13.231 -16.673 22.337 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.716 -18.164 20.408 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.616 -18.417 21.256 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.059 -16.797 20.668 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.062 -17.868 19.656 1.00 0.00 H new ATOM 494 N TYR A 33 -14.370 -14.393 19.713 1.00 0.00 N ATOM 495 CA TYR A 33 -15.355 -13.284 19.832 1.00 0.00 C ATOM 496 C TYR A 33 -16.767 -13.865 19.889 1.00 0.00 C ATOM 497 O TYR A 33 -17.151 -14.673 19.066 1.00 0.00 O ATOM 498 CB TYR A 33 -15.222 -12.359 18.622 1.00 0.00 C ATOM 499 CG TYR A 33 -13.783 -11.923 18.491 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.831 -12.802 17.958 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.397 -10.643 18.906 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.496 -12.400 17.840 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.061 -10.242 18.788 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.110 -11.120 18.255 1.00 0.00 C ATOM 505 OH TYR A 33 -9.793 -10.725 18.140 1.00 0.00 O ATOM 0 H TYR A 33 -14.417 -14.925 18.844 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.164 -12.716 20.742 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.543 -12.875 17.717 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.869 -11.490 18.740 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.128 -13.790 17.638 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.130 -9.965 19.317 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.763 -13.078 17.428 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.764 -9.254 19.108 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.333 -10.868 18.993 1.00 0.00 H new ATOM 515 N ASN A 34 -17.541 -13.466 20.858 1.00 0.00 N ATOM 516 CA ASN A 34 -18.925 -14.002 20.974 1.00 0.00 C ATOM 517 C ASN A 34 -19.660 -13.828 19.643 1.00 0.00 C ATOM 518 O ASN A 34 -19.786 -14.753 18.869 1.00 0.00 O ATOM 519 CB ASN A 34 -19.670 -13.254 22.083 1.00 0.00 C ATOM 520 CG ASN A 34 -21.037 -13.904 22.306 1.00 0.00 C ATOM 521 OD1 ASN A 34 -21.420 -14.803 21.585 1.00 0.00 O ATOM 522 ND2 ASN A 34 -21.793 -13.485 23.284 1.00 0.00 N ATOM 0 H ASN A 34 -17.275 -12.791 21.575 1.00 0.00 H new ATOM 0 HA ASN A 34 -18.884 -15.063 21.220 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -19.090 -13.277 23.005 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -19.794 -12.206 21.810 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -22.705 -13.913 23.443 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -21.471 -12.730 23.890 1.00 0.00 H new ATOM 529 N ASN A 35 -20.151 -12.656 19.369 1.00 0.00 N ATOM 530 CA ASN A 35 -20.879 -12.436 18.088 1.00 0.00 C ATOM 531 C ASN A 35 -19.871 -12.207 16.958 1.00 0.00 C ATOM 532 O ASN A 35 -18.792 -11.693 17.176 1.00 0.00 O ATOM 533 CB ASN A 35 -21.800 -11.220 18.246 1.00 0.00 C ATOM 534 CG ASN A 35 -22.225 -10.690 16.877 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.405 -10.231 16.108 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.487 -10.731 16.541 1.00 0.00 N ATOM 0 H ASN A 35 -20.081 -11.839 19.975 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.480 -13.311 17.840 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.681 -11.496 18.825 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.286 -10.436 18.802 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -23.784 -10.377 15.632 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.175 -11.117 17.188 1.00 0.00 H new ATOM 543 N PRO A 36 -20.230 -12.602 15.724 1.00 0.00 N ATOM 544 CA PRO A 36 -19.354 -12.445 14.552 1.00 0.00 C ATOM 545 C PRO A 36 -19.063 -10.973 14.249 1.00 0.00 C ATOM 546 O PRO A 36 -17.922 -10.564 14.174 1.00 0.00 O ATOM 547 CB PRO A 36 -20.160 -13.084 13.417 1.00 0.00 C ATOM 548 CG PRO A 36 -21.573 -12.998 13.881 1.00 0.00 C ATOM 549 CD PRO A 36 -21.513 -13.228 15.363 1.00 0.00 C ATOM 0 HA PRO A 36 -18.377 -12.904 14.702 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -20.016 -12.551 12.477 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.859 -14.118 13.247 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -22.005 -12.024 13.650 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -22.195 -13.747 13.391 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.352 -12.764 15.881 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.532 -14.289 15.611 1.00 0.00 H new ATOM 557 N CYS A 37 -20.077 -10.168 14.090 1.00 0.00 N ATOM 558 CA CYS A 37 -19.831 -8.727 13.814 1.00 0.00 C ATOM 559 C CYS A 37 -19.066 -8.137 14.999 1.00 0.00 C ATOM 560 O CYS A 37 -18.292 -7.210 14.858 1.00 0.00 O ATOM 561 CB CYS A 37 -21.169 -8.003 13.647 1.00 0.00 C ATOM 562 SG CYS A 37 -20.904 -6.213 13.683 1.00 0.00 S ATOM 0 H CYS A 37 -21.058 -10.444 14.139 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.251 -8.609 12.899 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.635 -8.292 12.705 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.853 -8.295 14.444 1.00 0.00 H new ATOM 567 N MET A 38 -19.270 -8.684 16.167 1.00 0.00 N ATOM 568 CA MET A 38 -18.554 -8.180 17.369 1.00 0.00 C ATOM 569 C MET A 38 -17.052 -8.386 17.170 1.00 0.00 C ATOM 570 O MET A 38 -16.235 -7.796 17.848 1.00 0.00 O ATOM 571 CB MET A 38 -19.023 -8.958 18.601 1.00 0.00 C ATOM 572 CG MET A 38 -20.320 -8.340 19.129 1.00 0.00 C ATOM 573 SD MET A 38 -20.009 -6.637 19.656 1.00 0.00 S ATOM 574 CE MET A 38 -18.844 -7.022 20.987 1.00 0.00 C ATOM 0 H MET A 38 -19.906 -9.463 16.339 1.00 0.00 H new ATOM 0 HA MET A 38 -18.764 -7.120 17.513 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.184 -10.005 18.344 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.255 -8.934 19.374 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.085 -8.357 18.353 1.00 0.00 H new ATOM 0 HG3 MET A 38 -20.700 -8.927 19.965 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.027 -6.361 21.834 1.00 0.00 H new ATOM 0 HE2 MET A 38 -18.978 -8.058 21.300 1.00 0.00 H new ATOM 0 HE3 MET A 38 -17.824 -6.880 20.630 1.00 0.00 H new ATOM 584 N LEU A 39 -16.685 -9.214 16.229 1.00 0.00 N ATOM 585 CA LEU A 39 -15.242 -9.457 15.965 1.00 0.00 C ATOM 586 C LEU A 39 -14.640 -8.191 15.366 1.00 0.00 C ATOM 587 O LEU A 39 -13.721 -7.609 15.907 1.00 0.00 O ATOM 588 CB LEU A 39 -15.100 -10.618 14.977 1.00 0.00 C ATOM 589 CG LEU A 39 -13.652 -10.708 14.491 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.765 -11.226 15.623 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.570 -11.668 13.301 1.00 0.00 C ATOM 0 H LEU A 39 -17.327 -9.734 15.631 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.723 -9.710 16.890 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.392 -11.553 15.455 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.770 -10.471 14.130 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.311 -9.719 14.185 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.733 -11.290 15.277 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.821 -10.543 16.471 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.107 -12.215 15.930 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.538 -11.732 12.955 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.912 -12.657 13.607 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.202 -11.300 12.492 1.00 0.00 H new ATOM 603 N CYS A 40 -15.172 -7.747 14.263 1.00 0.00 N ATOM 604 CA CYS A 40 -14.652 -6.501 13.642 1.00 0.00 C ATOM 605 C CYS A 40 -14.751 -5.379 14.676 1.00 0.00 C ATOM 606 O CYS A 40 -13.962 -4.455 14.690 1.00 0.00 O ATOM 607 CB CYS A 40 -15.497 -6.160 12.421 1.00 0.00 C ATOM 608 SG CYS A 40 -14.601 -4.978 11.394 1.00 0.00 S ATOM 0 H CYS A 40 -15.943 -8.193 13.766 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.616 -6.628 13.329 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.716 -7.063 11.851 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.453 -5.739 12.731 1.00 0.00 H new ATOM 613 N HIS A 41 -15.715 -5.470 15.551 1.00 0.00 N ATOM 614 CA HIS A 41 -15.879 -4.434 16.607 1.00 0.00 C ATOM 615 C HIS A 41 -14.656 -4.457 17.519 1.00 0.00 C ATOM 616 O HIS A 41 -13.937 -3.486 17.635 1.00 0.00 O ATOM 617 CB HIS A 41 -17.128 -4.749 17.426 1.00 0.00 C ATOM 618 CG HIS A 41 -17.497 -3.558 18.268 1.00 0.00 C ATOM 619 ND1 HIS A 41 -18.106 -2.433 17.734 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.355 -3.304 19.610 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.304 -1.563 18.740 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.865 -2.044 19.907 1.00 0.00 N ATOM 0 H HIS A 41 -16.401 -6.224 15.579 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.979 -3.449 16.151 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.954 -5.007 16.763 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.948 -5.615 18.063 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -18.358 -2.291 16.756 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -16.914 -3.980 20.327 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.762 -0.593 18.619 1.00 0.00 H new ATOM 630 N GLU A 42 -14.406 -5.568 18.160 1.00 0.00 N ATOM 631 CA GLU A 42 -13.219 -5.648 19.049 1.00 0.00 C ATOM 632 C GLU A 42 -11.978 -5.334 18.220 1.00 0.00 C ATOM 633 O GLU A 42 -10.952 -4.929 18.734 1.00 0.00 O ATOM 634 CB GLU A 42 -13.105 -7.057 19.633 1.00 0.00 C ATOM 635 CG GLU A 42 -12.018 -7.074 20.710 1.00 0.00 C ATOM 636 CD GLU A 42 -11.949 -8.465 21.341 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.820 -9.269 21.053 1.00 0.00 O ATOM 638 OE2 GLU A 42 -11.027 -8.703 22.103 1.00 0.00 O ATOM 0 H GLU A 42 -14.970 -6.416 18.105 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.315 -4.935 19.868 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.060 -7.364 20.060 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.863 -7.771 18.845 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.054 -6.813 20.273 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.235 -6.327 21.473 1.00 0.00 H new ATOM 645 N ASN A 43 -12.073 -5.508 16.930 1.00 0.00 N ATOM 646 CA ASN A 43 -10.908 -5.210 16.054 1.00 0.00 C ATOM 647 C ASN A 43 -10.793 -3.696 15.894 1.00 0.00 C ATOM 648 O ASN A 43 -9.715 -3.153 15.765 1.00 0.00 O ATOM 649 CB ASN A 43 -11.114 -5.859 14.683 1.00 0.00 C ATOM 650 CG ASN A 43 -11.063 -7.381 14.825 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.517 -7.897 15.780 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.614 -8.126 13.906 1.00 0.00 N ATOM 0 H ASN A 43 -12.906 -5.843 16.447 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.996 -5.608 16.500 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.074 -5.554 14.265 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.343 -5.522 13.990 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.587 -9.142 13.989 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.072 -7.692 13.105 1.00 0.00 H new ATOM 659 N LEU A 44 -11.904 -3.009 15.915 1.00 0.00 N ATOM 660 CA LEU A 44 -11.866 -1.527 15.781 1.00 0.00 C ATOM 661 C LEU A 44 -11.181 -0.939 17.014 1.00 0.00 C ATOM 662 O LEU A 44 -10.515 0.074 16.946 1.00 0.00 O ATOM 663 CB LEU A 44 -13.296 -0.989 15.679 1.00 0.00 C ATOM 664 CG LEU A 44 -13.258 0.520 15.430 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.265 0.830 14.310 1.00 0.00 C ATOM 666 CD2 LEU A 44 -14.652 1.005 15.024 1.00 0.00 C ATOM 0 H LEU A 44 -12.835 -3.412 16.019 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.314 -1.247 14.884 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.827 -1.489 14.869 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.843 -1.203 16.597 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.946 1.029 16.342 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.239 1.905 14.134 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.272 0.486 14.599 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.575 0.320 13.398 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.626 2.080 14.846 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -14.964 0.494 14.113 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.360 0.786 15.823 1.00 0.00 H new ATOM 678 N ILE A 45 -11.333 -1.580 18.141 1.00 0.00 N ATOM 679 CA ILE A 45 -10.684 -1.074 19.382 1.00 0.00 C ATOM 680 C ILE A 45 -9.192 -1.403 19.327 1.00 0.00 C ATOM 681 O ILE A 45 -8.352 -0.581 19.632 1.00 0.00 O ATOM 682 CB ILE A 45 -11.307 -1.755 20.603 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.822 -1.853 20.418 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.997 -0.937 21.858 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.461 -2.389 21.702 1.00 0.00 C ATOM 0 H ILE A 45 -11.880 -2.434 18.255 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.827 0.004 19.459 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.890 -2.756 20.711 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -13.233 -0.873 20.176 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.055 -2.512 19.581 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.441 -1.422 22.727 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.917 -0.870 21.991 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.412 0.065 21.751 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.541 -2.459 21.570 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.058 -3.377 21.924 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.240 -1.713 22.528 1.00 0.00 H new ATOM 697 N ARG A 46 -8.861 -2.603 18.936 1.00 0.00 N ATOM 698 CA ARG A 46 -7.425 -2.991 18.854 1.00 0.00 C ATOM 699 C ARG A 46 -6.828 -2.456 17.550 1.00 0.00 C ATOM 700 O ARG A 46 -5.629 -2.318 17.415 1.00 0.00 O ATOM 701 CB ARG A 46 -7.305 -4.516 18.875 1.00 0.00 C ATOM 702 CG ARG A 46 -7.779 -5.047 20.229 1.00 0.00 C ATOM 703 CD ARG A 46 -7.558 -6.560 20.285 1.00 0.00 C ATOM 704 NE ARG A 46 -8.158 -7.102 21.535 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.709 -6.713 22.696 1.00 0.00 C ATOM 706 NH1 ARG A 46 -8.493 -6.070 23.518 1.00 0.00 N ATOM 707 NH2 ARG A 46 -6.474 -6.966 23.036 1.00 0.00 N ATOM 0 H ARG A 46 -9.523 -3.332 18.670 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.887 -2.571 19.704 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.903 -4.949 18.073 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.271 -4.812 18.698 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.233 -4.558 21.036 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.835 -4.817 20.374 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.010 -7.037 19.415 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.492 -6.784 20.253 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.920 -7.778 21.483 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.458 -5.871 23.253 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.141 -5.766 24.426 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.861 -7.468 22.394 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.122 -6.662 23.944 1.00 0.00 H new ATOM 721 N GLN A 47 -7.657 -2.157 16.589 1.00 0.00 N ATOM 722 CA GLN A 47 -7.143 -1.633 15.293 1.00 0.00 C ATOM 723 C GLN A 47 -6.271 -2.698 14.623 1.00 0.00 C ATOM 724 O GLN A 47 -5.213 -2.410 14.100 1.00 0.00 O ATOM 725 CB GLN A 47 -6.318 -0.371 15.544 1.00 0.00 C ATOM 726 CG GLN A 47 -7.213 0.705 16.158 1.00 0.00 C ATOM 727 CD GLN A 47 -6.403 1.985 16.372 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.192 1.972 16.286 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.026 3.097 16.649 1.00 0.00 N ATOM 0 H GLN A 47 -8.671 -2.253 16.646 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.981 -1.390 14.639 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.487 -0.594 16.213 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.888 -0.012 14.609 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.061 0.904 15.503 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.619 0.356 17.108 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.043 3.107 16.721 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.496 3.956 16.793 1.00 0.00 H new ATOM 738 N THR A 48 -6.711 -3.928 14.634 1.00 0.00 N ATOM 739 CA THR A 48 -5.913 -5.013 13.997 1.00 0.00 C ATOM 740 C THR A 48 -6.771 -5.722 12.947 1.00 0.00 C ATOM 741 O THR A 48 -7.982 -5.620 12.949 1.00 0.00 O ATOM 742 CB THR A 48 -5.480 -6.023 15.063 1.00 0.00 C ATOM 743 OG1 THR A 48 -6.578 -6.863 15.389 1.00 0.00 O ATOM 744 CG2 THR A 48 -5.012 -5.281 16.315 1.00 0.00 C ATOM 0 H THR A 48 -7.589 -4.227 15.057 1.00 0.00 H new ATOM 0 HA THR A 48 -5.030 -4.585 13.522 1.00 0.00 H new ATOM 0 HB THR A 48 -4.660 -6.629 14.678 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.303 -7.512 16.070 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.704 -6.003 17.072 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.169 -4.638 16.063 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.829 -4.673 16.704 1.00 0.00 H new ATOM 752 N ASN A 49 -6.155 -6.439 12.048 1.00 0.00 N ATOM 753 CA ASN A 49 -6.939 -7.153 11.001 1.00 0.00 C ATOM 754 C ASN A 49 -7.161 -8.605 11.432 1.00 0.00 C ATOM 755 O ASN A 49 -6.754 -9.532 10.761 1.00 0.00 O ATOM 756 CB ASN A 49 -6.171 -7.122 9.677 1.00 0.00 C ATOM 757 CG ASN A 49 -4.930 -8.011 9.784 1.00 0.00 C ATOM 758 OD1 ASN A 49 -4.531 -8.387 10.867 1.00 0.00 O ATOM 759 ND2 ASN A 49 -4.303 -8.367 8.697 1.00 0.00 N ATOM 0 H ASN A 49 -5.144 -6.561 11.993 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.904 -6.662 10.871 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.811 -7.469 8.865 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.879 -6.099 9.438 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.477 -8.962 8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.639 -8.051 7.787 1.00 0.00 H new ATOM 766 N THR A 50 -7.802 -8.810 12.550 1.00 0.00 N ATOM 767 CA THR A 50 -8.046 -10.202 13.023 1.00 0.00 C ATOM 768 C THR A 50 -9.119 -10.862 12.159 1.00 0.00 C ATOM 769 O THR A 50 -10.098 -10.245 11.785 1.00 0.00 O ATOM 770 CB THR A 50 -8.521 -10.174 14.478 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.593 -9.438 15.262 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.623 -11.607 15.013 1.00 0.00 C ATOM 0 H THR A 50 -8.167 -8.075 13.156 1.00 0.00 H new ATOM 0 HA THR A 50 -7.119 -10.770 12.949 1.00 0.00 H new ATOM 0 HB THR A 50 -9.501 -9.699 14.532 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.639 -8.490 15.019 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.961 -11.585 16.049 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.335 -12.171 14.410 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.645 -12.085 14.961 1.00 0.00 H new ATOM 780 N HIS A 51 -8.946 -12.114 11.846 1.00 0.00 N ATOM 781 CA HIS A 51 -9.956 -12.823 11.015 1.00 0.00 C ATOM 782 C HIS A 51 -10.535 -13.983 11.822 1.00 0.00 C ATOM 783 O HIS A 51 -10.062 -14.299 12.895 1.00 0.00 O ATOM 784 CB HIS A 51 -9.290 -13.369 9.752 1.00 0.00 C ATOM 785 CG HIS A 51 -8.426 -12.302 9.137 1.00 0.00 C ATOM 786 ND1 HIS A 51 -8.944 -11.322 8.307 1.00 0.00 N ATOM 787 CD2 HIS A 51 -7.079 -12.050 9.221 1.00 0.00 C ATOM 788 CE1 HIS A 51 -7.924 -10.531 7.928 1.00 0.00 C ATOM 789 NE2 HIS A 51 -6.764 -10.931 8.456 1.00 0.00 N ATOM 0 H HIS A 51 -8.146 -12.679 12.131 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.750 -12.132 10.733 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.687 -14.244 9.995 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.049 -13.693 9.039 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.372 -12.632 9.794 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.030 -9.676 7.276 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.845 -10.507 8.326 1.00 0.00 H new ATOM 797 N ILE A 52 -11.550 -14.625 11.318 1.00 0.00 N ATOM 798 CA ILE A 52 -12.143 -15.765 12.067 1.00 0.00 C ATOM 799 C ILE A 52 -11.309 -17.020 11.819 1.00 0.00 C ATOM 800 O ILE A 52 -11.062 -17.407 10.695 1.00 0.00 O ATOM 801 CB ILE A 52 -13.575 -16.004 11.596 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.389 -14.721 11.770 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.195 -17.123 12.434 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.849 -14.994 11.414 1.00 0.00 C ATOM 0 H ILE A 52 -11.993 -14.411 10.424 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.150 -15.533 13.132 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.576 -16.290 10.544 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.314 -14.366 12.798 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.989 -13.934 11.131 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.219 -17.300 12.104 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.611 -18.035 12.312 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.198 -16.832 13.484 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.431 -14.080 11.538 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.915 -15.329 10.379 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.245 -15.768 12.071 1.00 0.00 H new ATOM 816 N ARG A 53 -10.875 -17.656 12.866 1.00 0.00 N ATOM 817 CA ARG A 53 -10.056 -18.888 12.714 1.00 0.00 C ATOM 818 C ARG A 53 -10.976 -20.069 12.419 1.00 0.00 C ATOM 819 O ARG A 53 -10.712 -20.884 11.558 1.00 0.00 O ATOM 820 CB ARG A 53 -9.302 -19.146 14.016 1.00 0.00 C ATOM 821 CG ARG A 53 -8.402 -20.367 13.847 1.00 0.00 C ATOM 822 CD ARG A 53 -7.620 -20.610 15.139 1.00 0.00 C ATOM 823 NE ARG A 53 -6.651 -21.722 14.933 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.518 -22.649 15.841 1.00 0.00 C ATOM 825 NH1 ARG A 53 -6.616 -22.341 17.106 1.00 0.00 N ATOM 826 NH2 ARG A 53 -6.287 -23.883 15.485 1.00 0.00 N ATOM 0 H ARG A 53 -11.053 -17.374 13.830 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.347 -18.765 11.895 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.704 -18.274 14.282 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.007 -19.310 14.831 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.003 -21.243 13.603 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.713 -20.212 13.017 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.092 -19.703 15.433 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.305 -20.856 15.950 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.091 -21.759 14.081 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.796 -21.376 17.383 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.512 -23.065 17.817 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.210 -24.123 14.497 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.183 -24.608 16.195 1.00 0.00 H new ATOM 840 N SER A 54 -12.057 -20.157 13.134 1.00 0.00 N ATOM 841 CA SER A 54 -13.017 -21.272 12.919 1.00 0.00 C ATOM 842 C SER A 54 -14.374 -20.872 13.500 1.00 0.00 C ATOM 843 O SER A 54 -14.462 -20.011 14.352 1.00 0.00 O ATOM 844 CB SER A 54 -12.510 -22.531 13.625 1.00 0.00 C ATOM 845 OG SER A 54 -13.152 -23.672 13.078 1.00 0.00 O ATOM 0 H SER A 54 -12.321 -19.498 13.866 1.00 0.00 H new ATOM 0 HA SER A 54 -13.114 -21.476 11.853 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.430 -22.617 13.507 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.710 -22.466 14.695 1.00 0.00 H new ATOM 0 HG SER A 54 -12.826 -24.479 13.529 1.00 0.00 H new ATOM 851 N THR A 55 -15.431 -21.484 13.049 1.00 0.00 N ATOM 852 CA THR A 55 -16.774 -21.126 13.584 1.00 0.00 C ATOM 853 C THR A 55 -16.914 -21.663 15.009 1.00 0.00 C ATOM 854 O THR A 55 -16.407 -22.717 15.339 1.00 0.00 O ATOM 855 CB THR A 55 -17.860 -21.737 12.696 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.873 -23.147 12.868 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.574 -21.401 11.231 1.00 0.00 C ATOM 0 H THR A 55 -15.425 -22.214 12.336 1.00 0.00 H new ATOM 0 HA THR A 55 -16.884 -20.042 13.592 1.00 0.00 H new ATOM 0 HB THR A 55 -18.831 -21.328 12.976 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.569 -23.539 12.301 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.348 -21.837 10.600 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.566 -20.319 11.101 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.603 -21.808 10.947 1.00 0.00 H new ATOM 865 N GLY A 56 -17.598 -20.945 15.856 1.00 0.00 N ATOM 866 CA GLY A 56 -17.770 -21.409 17.260 1.00 0.00 C ATOM 867 C GLY A 56 -16.563 -20.979 18.092 1.00 0.00 C ATOM 868 O GLY A 56 -15.541 -20.582 17.570 1.00 0.00 O ATOM 0 H GLY A 56 -18.046 -20.055 15.635 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.684 -20.991 17.683 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.874 -22.494 17.285 1.00 0.00 H new ATOM 872 N LYS A 57 -16.679 -21.055 19.387 1.00 0.00 N ATOM 873 CA LYS A 57 -15.545 -20.653 20.267 1.00 0.00 C ATOM 874 C LYS A 57 -14.279 -21.402 19.841 1.00 0.00 C ATOM 875 O LYS A 57 -14.340 -22.507 19.340 1.00 0.00 O ATOM 876 CB LYS A 57 -15.881 -21.003 21.719 1.00 0.00 C ATOM 877 CG LYS A 57 -14.803 -20.438 22.645 1.00 0.00 C ATOM 878 CD LYS A 57 -15.004 -20.988 24.058 1.00 0.00 C ATOM 879 CE LYS A 57 -14.100 -20.229 25.033 1.00 0.00 C ATOM 880 NZ LYS A 57 -14.753 -20.171 26.372 1.00 0.00 N ATOM 0 H LYS A 57 -17.513 -21.379 19.877 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.378 -19.579 20.180 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.855 -20.594 21.986 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.946 -22.085 21.837 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.814 -20.708 22.276 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.853 -19.349 22.657 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.047 -20.883 24.356 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.771 -22.052 24.082 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.132 -20.725 25.109 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.914 -19.221 24.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.140 -19.656 27.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.666 -19.680 26.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.909 -21.137 26.724 1.00 0.00 H new ATOM 894 N CYS A 58 -13.132 -20.810 20.038 1.00 0.00 N ATOM 895 CA CYS A 58 -11.866 -21.491 19.646 1.00 0.00 C ATOM 896 C CYS A 58 -11.825 -22.885 20.276 1.00 0.00 C ATOM 897 O CYS A 58 -11.182 -23.786 19.773 1.00 0.00 O ATOM 898 CB CYS A 58 -10.669 -20.674 20.140 1.00 0.00 C ATOM 899 SG CYS A 58 -10.559 -19.132 19.198 1.00 0.00 S ATOM 0 H CYS A 58 -13.018 -19.885 20.453 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.821 -21.578 18.560 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.778 -20.456 21.203 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.750 -21.249 20.025 1.00 0.00 H new ATOM 904 N GLU A 59 -12.506 -23.068 21.372 1.00 0.00 N ATOM 905 CA GLU A 59 -12.511 -24.401 22.037 1.00 0.00 C ATOM 906 C GLU A 59 -13.537 -25.304 21.353 1.00 0.00 C ATOM 907 O GLU A 59 -13.480 -26.514 21.452 1.00 0.00 O ATOM 908 CB GLU A 59 -12.883 -24.232 23.511 1.00 0.00 C ATOM 909 CG GLU A 59 -12.972 -25.606 24.176 1.00 0.00 C ATOM 910 CD GLU A 59 -13.489 -25.449 25.607 1.00 0.00 C ATOM 911 OE1 GLU A 59 -13.849 -24.340 25.967 1.00 0.00 O ATOM 912 OE2 GLU A 59 -13.517 -26.439 26.319 1.00 0.00 O ATOM 0 H GLU A 59 -13.061 -22.350 21.838 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.521 -24.851 21.961 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.137 -23.619 24.017 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.837 -23.711 23.599 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.638 -26.255 23.607 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.992 -26.083 24.183 1.00 0.00 H new ATOM 919 N GLU A 60 -14.478 -24.725 20.658 1.00 0.00 N ATOM 920 CA GLU A 60 -15.508 -25.549 19.965 1.00 0.00 C ATOM 921 C GLU A 60 -15.020 -25.892 18.558 1.00 0.00 C ATOM 922 O GLU A 60 -14.713 -25.023 17.767 1.00 0.00 O ATOM 923 CB GLU A 60 -16.816 -24.759 19.874 1.00 0.00 C ATOM 924 CG GLU A 60 -17.903 -25.643 19.262 1.00 0.00 C ATOM 925 CD GLU A 60 -19.191 -24.831 19.106 1.00 0.00 C ATOM 926 OE1 GLU A 60 -19.173 -23.658 19.439 1.00 0.00 O ATOM 927 OE2 GLU A 60 -20.174 -25.397 18.657 1.00 0.00 O ATOM 0 H GLU A 60 -14.578 -23.717 20.540 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.678 -26.468 20.526 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.120 -24.423 20.865 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.673 -23.866 19.265 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.578 -26.019 18.292 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.082 -26.511 19.897 1.00 0.00 H new ATOM 934 N SER A 61 -14.947 -27.155 18.237 1.00 0.00 N ATOM 935 CA SER A 61 -14.479 -27.554 16.879 1.00 0.00 C ATOM 936 C SER A 61 -15.387 -28.655 16.328 1.00 0.00 C ATOM 937 O SER A 61 -16.015 -29.384 17.071 1.00 0.00 O ATOM 938 CB SER A 61 -13.042 -28.072 16.967 1.00 0.00 C ATOM 939 OG SER A 61 -13.046 -29.385 17.506 1.00 0.00 O ATOM 0 H SER A 61 -15.191 -27.928 18.856 1.00 0.00 H new ATOM 0 HA SER A 61 -14.514 -26.691 16.215 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.584 -28.074 15.978 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.443 -27.411 17.594 1.00 0.00 H new ATOM 0 HG SER A 61 -12.126 -29.719 17.561 1.00 0.00 H new ATOM 945 N SER A 62 -15.462 -28.782 15.032 1.00 0.00 N ATOM 946 CA SER A 62 -16.330 -29.836 14.437 1.00 0.00 C ATOM 947 C SER A 62 -15.469 -30.819 13.641 1.00 0.00 C ATOM 948 O SER A 62 -14.379 -30.498 13.213 1.00 0.00 O ATOM 949 CB SER A 62 -17.354 -29.186 13.504 1.00 0.00 C ATOM 950 OG SER A 62 -16.677 -28.562 12.422 1.00 0.00 O ATOM 0 H SER A 62 -14.960 -28.202 14.360 1.00 0.00 H new ATOM 0 HA SER A 62 -16.849 -30.370 15.233 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.048 -29.937 13.128 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.945 -28.451 14.050 1.00 0.00 H new ATOM 0 HG SER A 62 -17.332 -28.147 11.822 1.00 0.00 H new ATOM 956 N THR A 63 -15.951 -32.015 13.440 1.00 0.00 N ATOM 957 CA THR A 63 -15.161 -33.017 12.670 1.00 0.00 C ATOM 958 C THR A 63 -16.011 -33.556 11.518 1.00 0.00 C ATOM 959 O THR A 63 -16.650 -34.585 11.634 1.00 0.00 O ATOM 960 CB THR A 63 -14.762 -34.170 13.596 1.00 0.00 C ATOM 961 OG1 THR A 63 -15.291 -33.937 14.893 1.00 0.00 O ATOM 962 CG2 THR A 63 -13.238 -34.261 13.673 1.00 0.00 C ATOM 0 H THR A 63 -16.857 -32.341 13.776 1.00 0.00 H new ATOM 0 HA THR A 63 -14.263 -32.546 12.269 1.00 0.00 H new ATOM 0 HB THR A 63 -15.159 -35.106 13.204 1.00 0.00 H new ATOM 0 HG1 THR A 63 -15.038 -34.675 15.487 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.955 -35.082 14.332 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.833 -34.440 12.677 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.837 -33.326 14.065 1.00 0.00 H new ATOM 970 N PRO A 64 -16.016 -32.842 10.384 1.00 0.00 N ATOM 971 CA PRO A 64 -16.787 -33.239 9.198 1.00 0.00 C ATOM 972 C PRO A 64 -16.229 -34.511 8.552 1.00 0.00 C ATOM 973 O PRO A 64 -16.919 -35.210 7.839 1.00 0.00 O ATOM 974 CB PRO A 64 -16.621 -32.050 8.250 1.00 0.00 C ATOM 975 CG PRO A 64 -15.345 -31.408 8.678 1.00 0.00 C ATOM 976 CD PRO A 64 -15.269 -31.591 10.167 1.00 0.00 C ATOM 0 HA PRO A 64 -17.825 -33.465 9.442 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.573 -32.375 7.211 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.460 -31.358 8.330 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.491 -31.870 8.184 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.332 -30.351 8.414 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.238 -31.671 10.512 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.719 -30.754 10.700 1.00 0.00 H new ATOM 984 N GLY A 65 -14.984 -34.816 8.798 1.00 0.00 N ATOM 985 CA GLY A 65 -14.386 -36.043 8.201 1.00 0.00 C ATOM 986 C GLY A 65 -13.835 -35.719 6.809 1.00 0.00 C ATOM 987 O GLY A 65 -13.502 -36.602 6.043 1.00 0.00 O ATOM 0 H GLY A 65 -14.356 -34.269 9.386 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.588 -36.419 8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.137 -36.830 8.132 1.00 0.00 H new ATOM 991 N THR A 66 -13.735 -34.462 6.476 1.00 0.00 N ATOM 992 CA THR A 66 -13.205 -34.088 5.135 1.00 0.00 C ATOM 993 C THR A 66 -11.970 -33.200 5.303 1.00 0.00 C ATOM 994 O THR A 66 -11.947 -32.301 6.121 1.00 0.00 O ATOM 995 CB THR A 66 -14.279 -33.327 4.354 1.00 0.00 C ATOM 996 OG1 THR A 66 -15.464 -34.108 4.298 1.00 0.00 O ATOM 997 CG2 THR A 66 -13.780 -33.047 2.935 1.00 0.00 C ATOM 0 H THR A 66 -13.997 -33.678 7.074 1.00 0.00 H new ATOM 0 HA THR A 66 -12.931 -34.991 4.589 1.00 0.00 H new ATOM 0 HB THR A 66 -14.491 -32.382 4.854 1.00 0.00 H new ATOM 0 HG1 THR A 66 -16.153 -33.621 3.800 1.00 0.00 H new ATOM 0 HG21 THR A 66 -14.546 -32.505 2.380 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.872 -32.446 2.981 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.566 -33.990 2.432 1.00 0.00 H new ATOM 1005 N THR A 67 -10.944 -33.444 4.536 1.00 0.00 N ATOM 1006 CA THR A 67 -9.712 -32.614 4.653 1.00 0.00 C ATOM 1007 C THR A 67 -9.963 -31.239 4.030 1.00 0.00 C ATOM 1008 O THR A 67 -9.200 -30.313 4.217 1.00 0.00 O ATOM 1009 CB THR A 67 -8.560 -33.303 3.918 1.00 0.00 C ATOM 1010 OG1 THR A 67 -8.842 -33.338 2.526 1.00 0.00 O ATOM 1011 CG2 THR A 67 -8.397 -34.730 4.443 1.00 0.00 C ATOM 0 H THR A 67 -10.905 -34.182 3.833 1.00 0.00 H new ATOM 0 HA THR A 67 -9.453 -32.496 5.705 1.00 0.00 H new ATOM 0 HB THR A 67 -7.637 -32.748 4.089 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.104 -33.777 2.054 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.576 -35.219 3.918 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.180 -34.702 5.511 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.319 -35.287 4.274 1.00 0.00 H new ATOM 1019 N ALA A 68 -11.029 -31.099 3.290 1.00 0.00 N ATOM 1020 CA ALA A 68 -11.327 -29.784 2.655 1.00 0.00 C ATOM 1021 C ALA A 68 -11.503 -28.721 3.741 1.00 0.00 C ATOM 1022 O ALA A 68 -11.181 -27.565 3.550 1.00 0.00 O ATOM 1023 CB ALA A 68 -12.616 -29.894 1.837 1.00 0.00 C ATOM 0 H ALA A 68 -11.706 -31.838 3.098 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.503 -29.502 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.835 -28.933 1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.492 -30.652 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.440 -30.176 2.492 1.00 0.00 H new ATOM 1029 N ALA A 69 -12.011 -29.101 4.882 1.00 0.00 N ATOM 1030 CA ALA A 69 -12.206 -28.112 5.978 1.00 0.00 C ATOM 1031 C ALA A 69 -10.866 -27.456 6.318 1.00 0.00 C ATOM 1032 O ALA A 69 -9.822 -28.071 6.224 1.00 0.00 O ATOM 1033 CB ALA A 69 -12.755 -28.824 7.215 1.00 0.00 C ATOM 0 H ALA A 69 -12.299 -30.054 5.102 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.913 -27.347 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.898 -28.101 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.710 -29.290 6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.049 -29.589 7.538 1.00 0.00 H new ATOM 1039 N SER A 70 -10.886 -26.213 6.711 1.00 0.00 N ATOM 1040 CA SER A 70 -9.614 -25.519 7.056 1.00 0.00 C ATOM 1041 C SER A 70 -9.022 -26.136 8.325 1.00 0.00 C ATOM 1042 O SER A 70 -7.824 -26.130 8.529 1.00 0.00 O ATOM 1043 CB SER A 70 -9.890 -24.033 7.292 1.00 0.00 C ATOM 1044 OG SER A 70 -10.660 -23.877 8.475 1.00 0.00 O ATOM 0 H SER A 70 -11.729 -25.647 6.808 1.00 0.00 H new ATOM 0 HA SER A 70 -8.906 -25.631 6.234 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.951 -23.487 7.382 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.423 -23.611 6.440 1.00 0.00 H new ATOM 0 HG SER A 70 -10.836 -22.925 8.628 1.00 0.00 H new ATOM 1050 N MET A 71 -9.852 -26.667 9.180 1.00 0.00 N ATOM 1051 CA MET A 71 -9.336 -27.282 10.436 1.00 0.00 C ATOM 1052 C MET A 71 -8.218 -28.271 10.097 1.00 0.00 C ATOM 1053 O MET A 71 -7.094 -28.123 10.536 1.00 0.00 O ATOM 1054 CB MET A 71 -10.472 -28.021 11.146 1.00 0.00 C ATOM 1055 CG MET A 71 -10.611 -27.489 12.574 1.00 0.00 C ATOM 1056 SD MET A 71 -11.187 -28.819 13.660 1.00 0.00 S ATOM 1057 CE MET A 71 -9.650 -29.033 14.590 1.00 0.00 C ATOM 0 H MET A 71 -10.865 -26.702 9.064 1.00 0.00 H new ATOM 0 HA MET A 71 -8.946 -26.502 11.089 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.406 -27.882 10.602 1.00 0.00 H new ATOM 0 HB3 MET A 71 -10.269 -29.092 11.163 1.00 0.00 H new ATOM 0 HG2 MET A 71 -9.653 -27.107 12.926 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.314 -26.656 12.597 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.780 -29.821 15.332 1.00 0.00 H new ATOM 0 HE2 MET A 71 -8.846 -29.307 13.907 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.396 -28.100 15.093 1.00 0.00 H new ATOM 1067 N PRO A 72 -8.539 -29.298 9.300 1.00 0.00 N ATOM 1068 CA PRO A 72 -7.566 -30.321 8.895 1.00 0.00 C ATOM 1069 C PRO A 72 -6.524 -29.760 7.921 1.00 0.00 C ATOM 1070 O PRO A 72 -6.788 -28.831 7.184 1.00 0.00 O ATOM 1071 CB PRO A 72 -8.424 -31.373 8.192 1.00 0.00 C ATOM 1072 CG PRO A 72 -9.623 -30.624 7.715 1.00 0.00 C ATOM 1073 CD PRO A 72 -9.875 -29.546 8.731 1.00 0.00 C ATOM 0 HA PRO A 72 -7.003 -30.709 9.744 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.887 -31.832 7.362 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.704 -32.176 8.874 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.447 -30.196 6.728 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.485 -31.285 7.627 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.289 -28.649 8.271 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.583 -29.870 9.494 1.00 0.00 H new ATOM 1081 N PRO A 73 -5.317 -30.343 7.924 1.00 0.00 N ATOM 1082 CA PRO A 73 -4.224 -29.909 7.043 1.00 0.00 C ATOM 1083 C PRO A 73 -4.515 -30.230 5.575 1.00 0.00 C ATOM 1084 O PRO A 73 -5.187 -31.193 5.261 1.00 0.00 O ATOM 1085 CB PRO A 73 -3.028 -30.726 7.531 1.00 0.00 C ATOM 1086 CG PRO A 73 -3.631 -31.932 8.167 1.00 0.00 C ATOM 1087 CD PRO A 73 -4.922 -31.473 8.783 1.00 0.00 C ATOM 0 HA PRO A 73 -4.067 -28.831 7.085 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.371 -31.000 6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.426 -30.161 8.243 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.807 -32.715 7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.965 -32.349 8.922 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.673 -32.263 8.781 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.787 -31.164 9.819 1.00 0.00 H new ATOM 1095 N SER A 74 -4.017 -29.430 4.672 1.00 0.00 N ATOM 1096 CA SER A 74 -4.267 -29.689 3.227 1.00 0.00 C ATOM 1097 C SER A 74 -2.931 -29.835 2.495 1.00 0.00 C ATOM 1098 O SER A 74 -1.981 -29.130 2.771 1.00 0.00 O ATOM 1099 CB SER A 74 -5.051 -28.520 2.628 1.00 0.00 C ATOM 1100 OG SER A 74 -5.409 -28.826 1.288 1.00 0.00 O ATOM 0 H SER A 74 -3.448 -28.608 4.873 1.00 0.00 H new ATOM 0 HA SER A 74 -4.843 -30.608 3.117 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.946 -28.327 3.220 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.449 -27.612 2.656 1.00 0.00 H new ATOM 0 HG SER A 74 -5.913 -28.078 0.905 1.00 0.00 H new ATOM 1106 N ASP A 75 -2.851 -30.744 1.563 1.00 0.00 N ATOM 1107 CA ASP A 75 -1.577 -30.933 0.812 1.00 0.00 C ATOM 1108 C ASP A 75 -1.319 -29.710 -0.071 1.00 0.00 C ATOM 1109 O ASP A 75 -2.230 -29.142 -0.641 1.00 0.00 O ATOM 1110 CB ASP A 75 -1.682 -32.183 -0.063 1.00 0.00 C ATOM 1111 CG ASP A 75 -1.824 -33.420 0.826 1.00 0.00 C ATOM 1112 OD1 ASP A 75 -1.594 -33.297 2.017 1.00 0.00 O ATOM 1113 OD2 ASP A 75 -2.161 -34.468 0.300 1.00 0.00 O ATOM 0 H ASP A 75 -3.613 -31.364 1.289 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.754 -31.052 1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.540 -32.101 -0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.797 -32.274 -0.692 1.00 0.00 H new ATOM 1118 N GLU A 76 -0.086 -29.301 -0.188 1.00 0.00 N ATOM 1119 CA GLU A 76 0.226 -28.114 -1.035 1.00 0.00 C ATOM 1120 C GLU A 76 1.647 -28.243 -1.589 1.00 0.00 C ATOM 1121 O GLU A 76 2.574 -28.243 -0.795 1.00 0.00 O ATOM 1122 CB GLU A 76 0.123 -26.843 -0.189 1.00 0.00 C ATOM 1123 CG GLU A 76 0.358 -25.620 -1.076 1.00 0.00 C ATOM 1124 CD GLU A 76 -0.820 -25.452 -2.037 1.00 0.00 C ATOM 1125 OE1 GLU A 76 -1.899 -25.918 -1.708 1.00 0.00 O ATOM 1126 OE2 GLU A 76 -0.623 -24.861 -3.086 1.00 0.00 O ATOM 1127 OXT GLU A 76 1.783 -28.339 -2.797 1.00 0.00 O ATOM 0 H GLU A 76 0.718 -29.736 0.265 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.483 -28.060 -1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.860 -26.783 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.858 -26.868 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.469 -24.727 -0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.285 -25.737 -1.637 1.00 0.00 H new TER 1134 GLU A 76