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 67 THR OG1 : rot -46:sc= 1.07 USER MOD Set 1.2: A 70 SER OG : rot -160:sc= 1.07 USER MOD Set 2.1: A 61 SER OG : rot -71:sc= 1.17 USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 43 ASN : amide:sc= -4.71! C(o=-4.1!,f=-6.8!) USER MOD Set 3.2: A 48 THR OG1 : rot 85:sc= 0.215 USER MOD Set 3.3: A 50 THR OG1 : rot -83:sc= 0.44 USER MOD Set 4.1: A 31 GLN : amide:sc= 0.803 K(o=1.7,f=-1.2!) USER MOD Set 4.2: A 33 TYR OH : rot -106:sc= 0.876 USER MOD Set 5.1: A 2 SER OG : rot -149:sc= 0.771 USER MOD Set 5.2: A 49 ASN : amide:sc= 0.948 K(o=-4,f=-16!) USER MOD Set 5.3: A 51 HIS : no HE2:sc= -5.76! C(o=-4!,f=-4.9!) USER MOD Single : A 1 ASP N :NH3+ -117:sc= 0.251 (180deg=-0.204) USER MOD Single : A 4 MET CE :methyl 151:sc= -0.17 (180deg=-1.08) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -179:sc= -0.484 USER MOD Single : A 16 TYR OH : rot 180:sc= -1.32! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -24:sc= 1.37 USER MOD Single : A 34 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.46) USER MOD Single : A 35 ASN : amide:sc= -6.87! C(o=-6.9!,f=-20!) USER MOD Single : A 38 MET CE :methyl -147:sc= -0.38 (180deg=-1.94!) USER MOD Single : A 41 HIS : no HE2:sc= -0.726 K(o=-0.73,f=-5.5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) 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 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : 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 -15.318 -12.118 8.159 1.00 0.00 N ATOM 2 CA ASP A 1 -13.844 -11.929 8.283 1.00 0.00 C ATOM 3 C ASP A 1 -13.509 -10.446 8.117 1.00 0.00 C ATOM 4 O ASP A 1 -14.385 -9.611 8.005 1.00 0.00 O ATOM 5 CB ASP A 1 -13.132 -12.739 7.197 1.00 0.00 C ATOM 6 CG ASP A 1 -13.342 -14.233 7.453 1.00 0.00 C ATOM 7 OD1 ASP A 1 -13.764 -14.574 8.546 1.00 0.00 O ATOM 8 OD2 ASP A 1 -13.079 -15.012 6.551 1.00 0.00 O ATOM 0 H1 ASP A 1 -15.698 -12.483 9.056 1.00 0.00 H new ATOM 0 H2 ASP A 1 -15.768 -11.207 7.938 1.00 0.00 H new ATOM 0 H3 ASP A 1 -15.518 -12.796 7.396 1.00 0.00 H new ATOM 0 HA ASP A 1 -13.513 -12.270 9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -13.520 -12.470 6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -12.067 -12.506 7.194 1.00 0.00 H new ATOM 15 N SER A 2 -12.248 -10.110 8.099 1.00 0.00 N ATOM 16 CA SER A 2 -11.864 -8.680 7.938 1.00 0.00 C ATOM 17 C SER A 2 -12.371 -8.169 6.590 1.00 0.00 C ATOM 18 O SER A 2 -12.702 -7.010 6.439 1.00 0.00 O ATOM 19 CB SER A 2 -10.342 -8.549 7.989 1.00 0.00 C ATOM 20 OG SER A 2 -9.915 -8.504 9.343 1.00 0.00 O ATOM 0 H SER A 2 -11.469 -10.763 8.189 1.00 0.00 H new ATOM 0 HA SER A 2 -12.306 -8.093 8.743 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.877 -9.392 7.478 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.026 -7.646 7.467 1.00 0.00 H new ATOM 0 HG SER A 2 -9.104 -7.959 9.412 1.00 0.00 H new ATOM 26 N GLU A 3 -12.438 -9.025 5.610 1.00 0.00 N ATOM 27 CA GLU A 3 -12.926 -8.586 4.274 1.00 0.00 C ATOM 28 C GLU A 3 -14.286 -7.912 4.441 1.00 0.00 C ATOM 29 O GLU A 3 -14.676 -7.070 3.658 1.00 0.00 O ATOM 30 CB GLU A 3 -13.059 -9.798 3.352 1.00 0.00 C ATOM 31 CG GLU A 3 -11.863 -9.842 2.399 1.00 0.00 C ATOM 32 CD GLU A 3 -11.939 -11.106 1.540 1.00 0.00 C ATOM 33 OE1 GLU A 3 -13.040 -11.583 1.319 1.00 0.00 O ATOM 34 OE2 GLU A 3 -10.895 -11.574 1.116 1.00 0.00 O ATOM 0 H GLU A 3 -12.176 -10.009 5.676 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.219 -7.883 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.103 -10.714 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.988 -9.738 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.859 -8.957 1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.932 -9.831 2.966 1.00 0.00 H new ATOM 41 N MET A 4 -15.009 -8.273 5.466 1.00 0.00 N ATOM 42 CA MET A 4 -16.339 -7.645 5.694 1.00 0.00 C ATOM 43 C MET A 4 -16.131 -6.238 6.250 1.00 0.00 C ATOM 44 O MET A 4 -16.961 -5.365 6.091 1.00 0.00 O ATOM 45 CB MET A 4 -17.134 -8.480 6.700 1.00 0.00 C ATOM 46 CG MET A 4 -17.317 -9.897 6.155 1.00 0.00 C ATOM 47 SD MET A 4 -18.268 -10.882 7.340 1.00 0.00 S ATOM 48 CE MET A 4 -19.856 -10.042 7.113 1.00 0.00 C ATOM 0 H MET A 4 -14.736 -8.975 6.154 1.00 0.00 H new ATOM 0 HA MET A 4 -16.891 -7.595 4.755 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.612 -8.511 7.656 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.106 -8.021 6.883 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.833 -9.865 5.195 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.345 -10.359 5.979 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.669 -10.740 7.313 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.924 -9.200 7.802 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.933 -9.680 6.088 1.00 0.00 H new ATOM 58 N CYS A 5 -15.024 -6.014 6.902 1.00 0.00 N ATOM 59 CA CYS A 5 -14.752 -4.666 7.471 1.00 0.00 C ATOM 60 C CYS A 5 -14.209 -3.751 6.372 1.00 0.00 C ATOM 61 O CYS A 5 -14.160 -2.546 6.520 1.00 0.00 O ATOM 62 CB CYS A 5 -13.719 -4.791 8.595 1.00 0.00 C ATOM 63 SG CYS A 5 -14.214 -6.108 9.724 1.00 0.00 S ATOM 0 H CYS A 5 -14.295 -6.708 7.065 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.673 -4.242 7.870 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.736 -5.006 8.177 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -13.637 -3.847 9.134 1.00 0.00 H new ATOM 68 N LYS A 6 -13.804 -4.313 5.267 1.00 0.00 N ATOM 69 CA LYS A 6 -13.268 -3.475 4.159 1.00 0.00 C ATOM 70 C LYS A 6 -14.430 -2.872 3.366 1.00 0.00 C ATOM 71 O LYS A 6 -14.231 -2.236 2.350 1.00 0.00 O ATOM 72 CB LYS A 6 -12.416 -4.340 3.227 1.00 0.00 C ATOM 73 CG LYS A 6 -11.452 -5.192 4.055 1.00 0.00 C ATOM 74 CD LYS A 6 -10.423 -5.844 3.127 1.00 0.00 C ATOM 75 CE LYS A 6 -9.343 -6.534 3.962 1.00 0.00 C ATOM 76 NZ LYS A 6 -8.190 -5.609 4.146 1.00 0.00 N ATOM 0 H LYS A 6 -13.821 -5.316 5.084 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.655 -2.676 4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.057 -4.982 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.857 -3.707 2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.948 -4.573 4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.003 -5.958 4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.913 -6.569 2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.972 -5.091 2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.748 -6.824 4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.014 -7.448 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.456 -6.078 4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.799 -5.353 3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.510 -4.749 4.636 1.00 0.00 H new ATOM 90 N ASP A 7 -15.643 -3.073 3.809 1.00 0.00 N ATOM 91 CA ASP A 7 -16.804 -2.513 3.057 1.00 0.00 C ATOM 92 C ASP A 7 -17.806 -1.871 4.022 1.00 0.00 C ATOM 93 O ASP A 7 -18.919 -1.559 3.648 1.00 0.00 O ATOM 94 CB ASP A 7 -17.494 -3.638 2.283 1.00 0.00 C ATOM 95 CG ASP A 7 -16.584 -4.105 1.144 1.00 0.00 C ATOM 96 OD1 ASP A 7 -15.602 -3.429 0.882 1.00 0.00 O ATOM 97 OD2 ASP A 7 -16.885 -5.129 0.553 1.00 0.00 O ATOM 0 H ASP A 7 -15.879 -3.596 4.652 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.444 -1.751 2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.716 -4.471 2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -18.446 -3.288 1.883 1.00 0.00 H new ATOM 102 N TYR A 8 -17.431 -1.663 5.254 1.00 0.00 N ATOM 103 CA TYR A 8 -18.383 -1.036 6.215 1.00 0.00 C ATOM 104 C TYR A 8 -17.754 0.228 6.815 1.00 0.00 C ATOM 105 O TYR A 8 -16.551 0.332 6.951 1.00 0.00 O ATOM 106 CB TYR A 8 -18.741 -2.048 7.320 1.00 0.00 C ATOM 107 CG TYR A 8 -17.822 -1.890 8.512 1.00 0.00 C ATOM 108 CD1 TYR A 8 -16.449 -2.123 8.373 1.00 0.00 C ATOM 109 CD2 TYR A 8 -18.345 -1.510 9.753 1.00 0.00 C ATOM 110 CE1 TYR A 8 -15.599 -1.974 9.476 1.00 0.00 C ATOM 111 CE2 TYR A 8 -17.495 -1.362 10.856 1.00 0.00 C ATOM 112 CZ TYR A 8 -16.123 -1.595 10.717 1.00 0.00 C ATOM 113 OH TYR A 8 -15.284 -1.450 11.804 1.00 0.00 O ATOM 0 H TYR A 8 -16.514 -1.898 5.635 1.00 0.00 H new ATOM 0 HA TYR A 8 -19.298 -0.752 5.695 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -19.776 -1.903 7.631 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -18.665 -3.062 6.929 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.045 -2.418 7.416 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -19.405 -1.331 9.860 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.539 -2.152 9.369 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -17.899 -1.068 11.814 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.810 -1.198 12.592 1.00 0.00 H new ATOM 123 N ARG A 9 -18.562 1.186 7.180 1.00 0.00 N ATOM 124 CA ARG A 9 -18.019 2.439 7.774 1.00 0.00 C ATOM 125 C ARG A 9 -18.777 2.760 9.063 1.00 0.00 C ATOM 126 O ARG A 9 -19.991 2.719 9.106 1.00 0.00 O ATOM 127 CB ARG A 9 -18.188 3.589 6.780 1.00 0.00 C ATOM 128 CG ARG A 9 -17.132 3.467 5.679 1.00 0.00 C ATOM 129 CD ARG A 9 -17.185 4.704 4.781 1.00 0.00 C ATOM 130 NE ARG A 9 -16.495 4.409 3.493 1.00 0.00 N ATOM 131 CZ ARG A 9 -17.075 3.652 2.603 1.00 0.00 C ATOM 132 NH1 ARG A 9 -18.274 3.945 2.178 1.00 0.00 N ATOM 133 NH2 ARG A 9 -16.457 2.601 2.136 1.00 0.00 N ATOM 0 H ARG A 9 -19.578 1.154 7.092 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.961 2.308 7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.187 3.565 6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.086 4.546 7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.141 3.368 6.121 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.309 2.568 5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.221 4.988 4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.707 5.548 5.278 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.571 4.799 3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.758 4.766 2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.727 3.353 1.482 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.520 2.371 2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.911 2.010 1.440 1.00 0.00 H new ATOM 147 N VAL A 10 -18.074 3.074 10.116 1.00 0.00 N ATOM 148 CA VAL A 10 -18.758 3.391 11.401 1.00 0.00 C ATOM 149 C VAL A 10 -18.341 4.785 11.878 1.00 0.00 C ATOM 150 O VAL A 10 -17.228 5.220 11.659 1.00 0.00 O ATOM 151 CB VAL A 10 -18.368 2.353 12.456 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.875 2.801 13.828 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.993 1.002 12.098 1.00 0.00 C ATOM 0 H VAL A 10 -17.056 3.125 10.142 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.837 3.370 11.250 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.283 2.256 12.485 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.597 2.061 14.578 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.430 3.762 14.084 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.960 2.899 13.801 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.716 0.262 12.849 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -20.078 1.100 12.068 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.631 0.681 11.121 1.00 0.00 H new ATOM 163 N LEU A 11 -19.229 5.485 12.529 1.00 0.00 N ATOM 164 CA LEU A 11 -18.894 6.851 13.024 1.00 0.00 C ATOM 165 C LEU A 11 -19.254 6.950 14.509 1.00 0.00 C ATOM 166 O LEU A 11 -19.797 6.028 15.084 1.00 0.00 O ATOM 167 CB LEU A 11 -19.697 7.886 12.232 1.00 0.00 C ATOM 168 CG LEU A 11 -18.749 8.707 11.353 1.00 0.00 C ATOM 169 CD1 LEU A 11 -18.809 8.187 9.916 1.00 0.00 C ATOM 170 CD2 LEU A 11 -19.171 10.177 11.380 1.00 0.00 C ATOM 0 H LEU A 11 -20.175 5.169 12.740 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.829 7.041 12.894 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.443 7.387 11.613 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.237 8.542 12.914 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.731 8.614 11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.135 8.771 9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.508 7.140 9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.827 8.280 9.538 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -18.496 10.761 10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.189 10.270 11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.129 10.549 12.404 1.00 0.00 H new ATOM 182 N PRO A 12 -18.946 8.094 15.140 1.00 0.00 N ATOM 183 CA PRO A 12 -19.242 8.315 16.562 1.00 0.00 C ATOM 184 C PRO A 12 -20.749 8.375 16.826 1.00 0.00 C ATOM 185 O PRO A 12 -21.206 8.153 17.929 1.00 0.00 O ATOM 186 CB PRO A 12 -18.601 9.672 16.852 1.00 0.00 C ATOM 187 CG PRO A 12 -18.551 10.350 15.526 1.00 0.00 C ATOM 188 CD PRO A 12 -18.293 9.262 14.524 1.00 0.00 C ATOM 0 HA PRO A 12 -18.865 7.509 17.191 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.190 10.244 17.569 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.604 9.558 17.278 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.488 10.864 15.313 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.762 11.102 15.500 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -18.721 9.499 13.550 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.227 9.096 14.372 1.00 0.00 H new ATOM 196 N ARG A 13 -21.524 8.672 15.820 1.00 0.00 N ATOM 197 CA ARG A 13 -22.999 8.745 16.011 1.00 0.00 C ATOM 198 C ARG A 13 -23.647 7.466 15.477 1.00 0.00 C ATOM 199 O ARG A 13 -24.677 7.034 15.956 1.00 0.00 O ATOM 200 CB ARG A 13 -23.553 9.949 15.247 1.00 0.00 C ATOM 201 CG ARG A 13 -23.068 11.241 15.906 1.00 0.00 C ATOM 202 CD ARG A 13 -23.690 12.442 15.188 1.00 0.00 C ATOM 203 NE ARG A 13 -23.002 13.691 15.622 1.00 0.00 N ATOM 204 CZ ARG A 13 -22.544 14.527 14.732 1.00 0.00 C ATOM 205 NH1 ARG A 13 -23.006 15.747 14.681 1.00 0.00 N ATOM 206 NH2 ARG A 13 -21.624 14.145 13.890 1.00 0.00 N ATOM 0 H ARG A 13 -21.199 8.867 14.873 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.222 8.851 17.073 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.227 9.914 14.207 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -24.643 9.919 15.241 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -23.344 11.250 16.960 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -21.981 11.299 15.861 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -23.600 12.321 14.109 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -24.755 12.503 15.414 1.00 0.00 H new ATOM 0 HE ARG A 13 -22.889 13.892 16.616 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -23.726 16.047 15.338 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -22.647 16.400 13.984 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -21.262 13.192 13.927 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -21.266 14.799 13.194 1.00 0.00 H new ATOM 220 N ILE A 14 -23.055 6.860 14.486 1.00 0.00 N ATOM 221 CA ILE A 14 -23.640 5.613 13.916 1.00 0.00 C ATOM 222 C ILE A 14 -23.249 4.414 14.785 1.00 0.00 C ATOM 223 O ILE A 14 -24.076 3.596 15.136 1.00 0.00 O ATOM 224 CB ILE A 14 -23.110 5.406 12.495 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.588 6.551 11.600 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.632 4.077 11.944 1.00 0.00 C ATOM 227 CD1 ILE A 14 -22.821 6.519 10.276 1.00 0.00 C ATOM 0 H ILE A 14 -22.190 7.174 14.045 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.726 5.702 13.893 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.020 5.389 12.513 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.658 6.459 11.415 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.432 7.507 12.100 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.255 3.929 10.932 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.292 3.260 12.581 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.722 4.093 11.926 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -23.162 7.335 9.638 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -21.754 6.632 10.471 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -23.000 5.568 9.775 1.00 0.00 H new ATOM 239 N GLY A 15 -21.996 4.299 15.131 1.00 0.00 N ATOM 240 CA GLY A 15 -21.561 3.148 15.972 1.00 0.00 C ATOM 241 C GLY A 15 -21.464 1.894 15.100 1.00 0.00 C ATOM 242 O GLY A 15 -21.506 1.967 13.889 1.00 0.00 O ATOM 0 H GLY A 15 -21.256 4.950 14.869 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.596 3.362 16.430 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.271 2.987 16.784 1.00 0.00 H new ATOM 246 N TYR A 16 -21.335 0.743 15.704 1.00 0.00 N ATOM 247 CA TYR A 16 -21.236 -0.508 14.900 1.00 0.00 C ATOM 248 C TYR A 16 -22.617 -1.156 14.784 1.00 0.00 C ATOM 249 O TYR A 16 -23.454 -1.020 15.653 1.00 0.00 O ATOM 250 CB TYR A 16 -20.274 -1.482 15.581 1.00 0.00 C ATOM 251 CG TYR A 16 -19.539 -2.277 14.528 1.00 0.00 C ATOM 252 CD1 TYR A 16 -20.228 -3.221 13.757 1.00 0.00 C ATOM 253 CD2 TYR A 16 -18.170 -2.069 14.319 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.549 -3.957 12.778 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.491 -2.803 13.340 1.00 0.00 C ATOM 256 CZ TYR A 16 -18.181 -3.748 12.569 1.00 0.00 C ATOM 257 OH TYR A 16 -17.512 -4.471 11.603 1.00 0.00 O ATOM 0 H TYR A 16 -21.294 0.616 16.715 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.864 -0.266 13.905 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.564 -0.935 16.202 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.824 -2.153 16.241 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -21.284 -3.382 13.917 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.638 -1.341 14.914 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.081 -4.686 12.184 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.435 -2.641 13.179 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.570 -4.201 11.586 1.00 0.00 H new ATOM 267 N LEU A 17 -22.859 -1.863 13.713 1.00 0.00 N ATOM 268 CA LEU A 17 -24.183 -2.523 13.539 1.00 0.00 C ATOM 269 C LEU A 17 -23.993 -4.040 13.483 1.00 0.00 C ATOM 270 O LEU A 17 -23.531 -4.582 12.499 1.00 0.00 O ATOM 271 CB LEU A 17 -24.828 -2.044 12.238 1.00 0.00 C ATOM 272 CG LEU A 17 -26.186 -2.726 12.058 1.00 0.00 C ATOM 273 CD1 LEU A 17 -27.199 -2.110 13.024 1.00 0.00 C ATOM 274 CD2 LEU A 17 -26.668 -2.530 10.620 1.00 0.00 C ATOM 0 H LEU A 17 -22.197 -2.011 12.952 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.828 -2.266 14.380 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.953 -0.961 12.259 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.179 -2.273 11.393 1.00 0.00 H new ATOM 0 HG LEU A 17 -26.088 -3.791 12.266 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -28.166 -2.596 12.896 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -26.856 -2.250 14.049 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -27.298 -1.044 12.817 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -27.635 -3.016 10.491 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.766 -1.465 10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.947 -2.970 9.931 1.00 0.00 H new ATOM 286 N CYS A 18 -24.347 -4.730 14.532 1.00 0.00 N ATOM 287 CA CYS A 18 -24.188 -6.211 14.540 1.00 0.00 C ATOM 288 C CYS A 18 -25.563 -6.863 14.684 1.00 0.00 C ATOM 289 O CYS A 18 -26.500 -6.259 15.168 1.00 0.00 O ATOM 290 CB CYS A 18 -23.300 -6.623 15.716 1.00 0.00 C ATOM 291 SG CYS A 18 -21.688 -5.815 15.562 1.00 0.00 S ATOM 0 H CYS A 18 -24.740 -4.331 15.385 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.725 -6.535 13.608 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.771 -6.343 16.658 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.177 -7.706 15.731 1.00 0.00 H new ATOM 296 N PRO A 19 -25.681 -8.125 14.252 1.00 0.00 N ATOM 297 CA PRO A 19 -26.939 -8.872 14.329 1.00 0.00 C ATOM 298 C PRO A 19 -27.271 -9.266 15.769 1.00 0.00 C ATOM 299 O PRO A 19 -26.438 -9.190 16.651 1.00 0.00 O ATOM 300 CB PRO A 19 -26.668 -10.121 13.493 1.00 0.00 C ATOM 301 CG PRO A 19 -25.186 -10.296 13.536 1.00 0.00 C ATOM 302 CD PRO A 19 -24.594 -8.917 13.654 1.00 0.00 C ATOM 0 HA PRO A 19 -27.787 -8.286 13.975 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.181 -10.991 13.904 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -27.022 -9.996 12.470 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.893 -10.917 14.383 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.828 -10.796 12.636 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.704 -8.915 14.283 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.298 -8.523 12.682 1.00 0.00 H new ATOM 310 N LYS A 20 -28.479 -9.682 16.017 1.00 0.00 N ATOM 311 CA LYS A 20 -28.858 -10.076 17.402 1.00 0.00 C ATOM 312 C LYS A 20 -28.563 -11.562 17.608 1.00 0.00 C ATOM 313 O LYS A 20 -28.561 -12.056 18.718 1.00 0.00 O ATOM 314 CB LYS A 20 -30.349 -9.812 17.619 1.00 0.00 C ATOM 315 CG LYS A 20 -30.623 -8.313 17.477 1.00 0.00 C ATOM 316 CD LYS A 20 -32.086 -8.026 17.823 1.00 0.00 C ATOM 317 CE LYS A 20 -32.355 -6.524 17.702 1.00 0.00 C ATOM 318 NZ LYS A 20 -33.771 -6.304 17.295 1.00 0.00 N ATOM 0 H LYS A 20 -29.221 -9.767 15.322 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.281 -9.491 18.118 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.939 -10.372 16.893 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.651 -10.157 18.608 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -29.965 -7.748 18.137 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.409 -7.988 16.459 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.744 -8.579 17.153 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.304 -8.365 18.836 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -32.158 -6.031 18.654 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -31.682 -6.081 16.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -33.954 -5.284 17.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -33.944 -6.762 16.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -34.405 -6.713 18.011 1.00 0.00 H new ATOM 332 N ASP A 21 -28.309 -12.279 16.548 1.00 0.00 N ATOM 333 CA ASP A 21 -28.008 -13.731 16.688 1.00 0.00 C ATOM 334 C ASP A 21 -26.603 -13.901 17.267 1.00 0.00 C ATOM 335 O ASP A 21 -25.618 -13.563 16.641 1.00 0.00 O ATOM 336 CB ASP A 21 -28.077 -14.402 15.315 1.00 0.00 C ATOM 337 CG ASP A 21 -28.086 -15.922 15.491 1.00 0.00 C ATOM 338 OD1 ASP A 21 -28.087 -16.367 16.627 1.00 0.00 O ATOM 339 OD2 ASP A 21 -28.090 -16.615 14.487 1.00 0.00 O ATOM 0 H ASP A 21 -28.297 -11.922 15.592 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.737 -14.193 17.354 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -28.974 -14.081 14.786 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.224 -14.100 14.707 1.00 0.00 H new ATOM 344 N LEU A 22 -26.500 -14.420 18.461 1.00 0.00 N ATOM 345 CA LEU A 22 -25.155 -14.604 19.074 1.00 0.00 C ATOM 346 C LEU A 22 -24.467 -15.817 18.448 1.00 0.00 C ATOM 347 O LEU A 22 -24.881 -16.945 18.636 1.00 0.00 O ATOM 348 CB LEU A 22 -25.300 -14.826 20.581 1.00 0.00 C ATOM 349 CG LEU A 22 -23.930 -15.163 21.174 1.00 0.00 C ATOM 350 CD1 LEU A 22 -22.956 -14.020 20.883 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.057 -15.351 22.686 1.00 0.00 C ATOM 0 H LEU A 22 -27.286 -14.723 19.036 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.555 -13.712 18.895 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.705 -13.932 21.055 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.003 -15.636 20.775 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.558 -16.084 20.726 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -21.979 -14.258 21.305 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -22.863 -13.887 19.805 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.330 -13.100 21.332 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.080 -15.591 23.106 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.430 -14.431 23.137 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.751 -16.165 22.894 1.00 0.00 H new ATOM 363 N LYS A 23 -23.415 -15.596 17.711 1.00 0.00 N ATOM 364 CA LYS A 23 -22.695 -16.737 17.079 1.00 0.00 C ATOM 365 C LYS A 23 -21.217 -16.665 17.463 1.00 0.00 C ATOM 366 O LYS A 23 -20.497 -15.785 17.033 1.00 0.00 O ATOM 367 CB LYS A 23 -22.842 -16.660 15.558 1.00 0.00 C ATOM 368 CG LYS A 23 -24.199 -17.234 15.150 1.00 0.00 C ATOM 369 CD LYS A 23 -24.139 -17.708 13.696 1.00 0.00 C ATOM 370 CE LYS A 23 -25.293 -18.675 13.427 1.00 0.00 C ATOM 371 NZ LYS A 23 -26.006 -18.266 12.184 1.00 0.00 N ATOM 0 H LYS A 23 -23.022 -14.675 17.519 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.118 -17.679 17.427 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.757 -15.626 15.225 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -22.039 -17.217 15.075 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.465 -18.065 15.803 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.975 -16.477 15.265 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -24.201 -16.854 13.021 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.186 -18.199 13.502 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -24.913 -19.691 13.323 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -25.983 -18.678 14.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -26.791 -18.924 12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -26.381 -17.303 12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -25.344 -18.285 11.382 1.00 0.00 H new ATOM 385 N PRO A 24 -20.763 -17.608 18.301 1.00 0.00 N ATOM 386 CA PRO A 24 -19.371 -17.658 18.773 1.00 0.00 C ATOM 387 C PRO A 24 -18.379 -17.926 17.641 1.00 0.00 C ATOM 388 O PRO A 24 -18.480 -18.903 16.929 1.00 0.00 O ATOM 389 CB PRO A 24 -19.373 -18.822 19.764 1.00 0.00 C ATOM 390 CG PRO A 24 -20.517 -19.671 19.332 1.00 0.00 C ATOM 391 CD PRO A 24 -21.567 -18.712 18.851 1.00 0.00 C ATOM 0 HA PRO A 24 -19.057 -16.709 19.207 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.434 -19.374 19.731 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.502 -18.472 20.788 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.219 -20.357 18.539 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.889 -20.279 20.157 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.211 -19.161 18.095 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.214 -18.378 19.662 1.00 0.00 H new ATOM 399 N VAL A 25 -17.417 -17.059 17.475 1.00 0.00 N ATOM 400 CA VAL A 25 -16.409 -17.258 16.397 1.00 0.00 C ATOM 401 C VAL A 25 -15.020 -17.393 17.018 1.00 0.00 C ATOM 402 O VAL A 25 -14.750 -16.869 18.080 1.00 0.00 O ATOM 403 CB VAL A 25 -16.406 -16.051 15.459 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.756 -15.939 14.753 1.00 0.00 C ATOM 405 CG2 VAL A 25 -16.148 -14.781 16.273 1.00 0.00 C ATOM 0 H VAL A 25 -17.286 -16.220 18.041 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.662 -18.159 15.839 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.622 -16.175 14.712 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.747 -15.077 14.086 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.940 -16.844 14.174 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.545 -15.816 15.495 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.145 -13.917 15.608 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.933 -14.662 17.020 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.182 -14.858 16.772 1.00 0.00 H new ATOM 415 N CYS A 26 -14.131 -18.073 16.353 1.00 0.00 N ATOM 416 CA CYS A 26 -12.753 -18.217 16.895 1.00 0.00 C ATOM 417 C CYS A 26 -11.852 -17.202 16.190 1.00 0.00 C ATOM 418 O CYS A 26 -11.979 -16.971 15.005 1.00 0.00 O ATOM 419 CB CYS A 26 -12.239 -19.639 16.644 1.00 0.00 C ATOM 420 SG CYS A 26 -10.542 -19.782 17.255 1.00 0.00 S ATOM 0 H CYS A 26 -14.298 -18.535 15.459 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.751 -18.035 17.970 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.880 -20.363 17.146 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.274 -19.867 15.579 1.00 0.00 H new ATOM 425 N GLY A 27 -10.963 -16.576 16.907 1.00 0.00 N ATOM 426 CA GLY A 27 -10.076 -15.560 16.271 1.00 0.00 C ATOM 427 C GLY A 27 -8.760 -16.206 15.836 1.00 0.00 C ATOM 428 O GLY A 27 -8.238 -17.085 16.492 1.00 0.00 O ATOM 0 H GLY A 27 -10.811 -16.722 17.905 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.576 -15.119 15.408 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.877 -14.750 16.973 1.00 0.00 H new ATOM 432 N ASP A 28 -8.216 -15.767 14.732 1.00 0.00 N ATOM 433 CA ASP A 28 -6.929 -16.344 14.251 1.00 0.00 C ATOM 434 C ASP A 28 -5.802 -15.934 15.199 1.00 0.00 C ATOM 435 O ASP A 28 -4.723 -16.491 15.175 1.00 0.00 O ATOM 436 CB ASP A 28 -6.628 -15.820 12.845 1.00 0.00 C ATOM 437 CG ASP A 28 -6.588 -14.291 12.868 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.645 -13.733 13.952 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.500 -13.703 11.803 1.00 0.00 O ATOM 0 H ASP A 28 -8.609 -15.033 14.143 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.006 -17.431 14.225 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.674 -16.214 12.495 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.391 -16.164 12.146 1.00 0.00 H new ATOM 444 N ASP A 29 -6.043 -14.962 16.035 1.00 0.00 N ATOM 445 CA ASP A 29 -4.984 -14.516 16.984 1.00 0.00 C ATOM 446 C ASP A 29 -5.002 -15.408 18.227 1.00 0.00 C ATOM 447 O ASP A 29 -4.293 -15.168 19.184 1.00 0.00 O ATOM 448 CB ASP A 29 -5.246 -13.067 17.394 1.00 0.00 C ATOM 449 CG ASP A 29 -5.012 -12.148 16.194 1.00 0.00 C ATOM 450 OD1 ASP A 29 -4.516 -12.632 15.190 1.00 0.00 O ATOM 451 OD2 ASP A 29 -5.333 -10.976 16.299 1.00 0.00 O ATOM 0 H ASP A 29 -6.927 -14.457 16.102 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.010 -14.588 16.500 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.269 -12.959 17.754 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.587 -12.785 18.215 1.00 0.00 H new ATOM 456 N GLY A 30 -5.806 -16.435 18.222 1.00 0.00 N ATOM 457 CA GLY A 30 -5.866 -17.338 19.406 1.00 0.00 C ATOM 458 C GLY A 30 -6.916 -16.815 20.389 1.00 0.00 C ATOM 459 O GLY A 30 -6.938 -17.186 21.545 1.00 0.00 O ATOM 0 H GLY A 30 -6.423 -16.688 17.450 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.118 -18.351 19.093 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.891 -17.387 19.890 1.00 0.00 H new ATOM 463 N GLN A 31 -7.787 -15.954 19.936 1.00 0.00 N ATOM 464 CA GLN A 31 -8.835 -15.406 20.844 1.00 0.00 C ATOM 465 C GLN A 31 -10.216 -15.848 20.355 1.00 0.00 C ATOM 466 O GLN A 31 -10.355 -16.404 19.284 1.00 0.00 O ATOM 467 CB GLN A 31 -8.758 -13.878 20.846 1.00 0.00 C ATOM 468 CG GLN A 31 -7.471 -13.438 21.549 1.00 0.00 C ATOM 469 CD GLN A 31 -7.329 -11.918 21.448 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.104 -11.266 20.778 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.363 -11.323 22.092 1.00 0.00 N ATOM 0 H GLN A 31 -7.818 -15.607 18.977 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.672 -15.779 21.855 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.775 -13.500 19.824 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.626 -13.459 21.355 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.493 -13.743 22.595 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.610 -13.926 21.093 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.712 -11.871 22.655 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.259 -10.310 22.033 1.00 0.00 H new ATOM 480 N THR A 32 -11.238 -15.607 21.130 1.00 0.00 N ATOM 481 CA THR A 32 -12.608 -16.015 20.708 1.00 0.00 C ATOM 482 C THR A 32 -13.579 -14.854 20.932 1.00 0.00 C ATOM 483 O THR A 32 -13.556 -14.201 21.956 1.00 0.00 O ATOM 484 CB THR A 32 -13.060 -17.219 21.537 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.211 -18.325 21.268 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.501 -17.576 21.173 1.00 0.00 C ATOM 0 H THR A 32 -11.183 -15.145 22.038 1.00 0.00 H new ATOM 0 HA THR A 32 -12.596 -16.282 19.651 1.00 0.00 H new ATOM 0 HB THR A 32 -13.006 -16.972 22.597 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.805 -18.218 20.383 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.824 -18.434 21.763 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.150 -16.726 21.383 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.558 -17.823 20.113 1.00 0.00 H new ATOM 494 N TYR A 33 -14.436 -14.596 19.983 1.00 0.00 N ATOM 495 CA TYR A 33 -15.410 -13.481 20.143 1.00 0.00 C ATOM 496 C TYR A 33 -16.830 -14.051 20.166 1.00 0.00 C ATOM 497 O TYR A 33 -17.189 -14.878 19.351 1.00 0.00 O ATOM 498 CB TYR A 33 -15.261 -12.506 18.974 1.00 0.00 C ATOM 499 CG TYR A 33 -13.811 -12.097 18.853 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.919 -12.893 18.124 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.360 -10.926 19.474 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.574 -12.516 18.016 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.015 -10.551 19.365 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.123 -11.345 18.636 1.00 0.00 C ATOM 505 OH TYR A 33 -9.797 -10.975 18.530 1.00 0.00 O ATOM 0 H TYR A 33 -14.504 -15.109 19.104 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.218 -12.953 21.077 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.598 -12.974 18.049 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.887 -11.628 19.134 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.267 -13.796 17.646 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.048 -10.313 20.036 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.885 -13.129 17.454 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.666 -9.648 19.844 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.340 -11.148 19.380 1.00 0.00 H new ATOM 515 N ASN A 34 -17.636 -13.626 21.099 1.00 0.00 N ATOM 516 CA ASN A 34 -19.025 -14.156 21.177 1.00 0.00 C ATOM 517 C ASN A 34 -19.739 -13.952 19.841 1.00 0.00 C ATOM 518 O ASN A 34 -19.894 -14.870 19.066 1.00 0.00 O ATOM 519 CB ASN A 34 -19.790 -13.437 22.293 1.00 0.00 C ATOM 520 CG ASN A 34 -18.874 -13.263 23.504 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.162 -14.174 23.877 1.00 0.00 O ATOM 522 ND2 ASN A 34 -18.864 -12.125 24.137 1.00 0.00 N ATOM 0 H ASN A 34 -17.393 -12.936 21.810 1.00 0.00 H new ATOM 0 HA ASN A 34 -18.988 -15.223 21.397 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.138 -12.465 21.943 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.674 -14.011 22.571 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.258 -11.997 24.947 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.462 -11.361 23.822 1.00 0.00 H new ATOM 529 N ASN A 35 -20.183 -12.762 19.564 1.00 0.00 N ATOM 530 CA ASN A 35 -20.894 -12.513 18.277 1.00 0.00 C ATOM 531 C ASN A 35 -19.873 -12.310 17.153 1.00 0.00 C ATOM 532 O ASN A 35 -18.797 -11.789 17.371 1.00 0.00 O ATOM 533 CB ASN A 35 -21.772 -11.268 18.429 1.00 0.00 C ATOM 534 CG ASN A 35 -22.275 -10.802 17.064 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.505 -10.354 16.239 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.549 -10.885 16.792 1.00 0.00 N ATOM 0 H ASN A 35 -20.086 -11.948 20.171 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.520 -13.369 18.026 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.618 -11.489 19.080 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.203 -10.470 18.906 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -23.898 -10.573 15.886 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.195 -11.262 17.486 1.00 0.00 H new ATOM 543 N PRO A 36 -20.223 -12.726 15.924 1.00 0.00 N ATOM 544 CA PRO A 36 -19.341 -12.588 14.756 1.00 0.00 C ATOM 545 C PRO A 36 -19.078 -11.119 14.421 1.00 0.00 C ATOM 546 O PRO A 36 -17.945 -10.690 14.323 1.00 0.00 O ATOM 547 CB PRO A 36 -20.129 -13.264 13.632 1.00 0.00 C ATOM 548 CG PRO A 36 -21.548 -13.180 14.078 1.00 0.00 C ATOM 549 CD PRO A 36 -21.505 -13.360 15.568 1.00 0.00 C ATOM 0 HA PRO A 36 -18.359 -13.030 14.922 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.980 -12.755 12.680 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.816 -14.299 13.493 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.988 -12.220 13.810 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -22.155 -13.952 13.606 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.349 -12.876 16.061 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.531 -14.412 15.851 1.00 0.00 H new ATOM 557 N CYS A 37 -20.110 -10.336 14.264 1.00 0.00 N ATOM 558 CA CYS A 37 -19.898 -8.896 13.960 1.00 0.00 C ATOM 559 C CYS A 37 -19.154 -8.269 15.138 1.00 0.00 C ATOM 560 O CYS A 37 -18.404 -7.326 14.986 1.00 0.00 O ATOM 561 CB CYS A 37 -21.249 -8.205 13.766 1.00 0.00 C ATOM 562 SG CYS A 37 -21.015 -6.409 13.754 1.00 0.00 S ATOM 0 H CYS A 37 -21.084 -10.630 14.333 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.317 -8.781 13.045 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.704 -8.529 12.830 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.932 -8.488 14.567 1.00 0.00 H new ATOM 567 N MET A 38 -19.351 -8.804 16.314 1.00 0.00 N ATOM 568 CA MET A 38 -18.650 -8.262 17.510 1.00 0.00 C ATOM 569 C MET A 38 -17.143 -8.439 17.322 1.00 0.00 C ATOM 570 O MET A 38 -16.344 -7.852 18.023 1.00 0.00 O ATOM 571 CB MET A 38 -19.108 -9.027 18.756 1.00 0.00 C ATOM 572 CG MET A 38 -20.336 -8.338 19.353 1.00 0.00 C ATOM 573 SD MET A 38 -19.876 -6.692 19.947 1.00 0.00 S ATOM 574 CE MET A 38 -18.691 -7.227 21.204 1.00 0.00 C ATOM 0 H MET A 38 -19.969 -9.595 16.496 1.00 0.00 H new ATOM 0 HA MET A 38 -18.883 -7.204 17.632 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.347 -10.058 18.496 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.304 -9.062 19.491 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.122 -8.259 18.602 1.00 0.00 H new ATOM 0 HG3 MET A 38 -20.737 -8.933 20.173 1.00 0.00 H new ATOM 0 HE1 MET A 38 -18.715 -6.534 22.045 1.00 0.00 H new ATOM 0 HE2 MET A 38 -18.954 -8.227 21.550 1.00 0.00 H new ATOM 0 HE3 MET A 38 -17.689 -7.243 20.776 1.00 0.00 H new ATOM 584 N LEU A 39 -16.753 -9.241 16.367 1.00 0.00 N ATOM 585 CA LEU A 39 -15.303 -9.455 16.113 1.00 0.00 C ATOM 586 C LEU A 39 -14.733 -8.204 15.451 1.00 0.00 C ATOM 587 O LEU A 39 -13.852 -7.554 15.978 1.00 0.00 O ATOM 588 CB LEU A 39 -15.126 -10.657 15.182 1.00 0.00 C ATOM 589 CG LEU A 39 -13.668 -10.742 14.732 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.789 -11.094 15.931 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.522 -11.824 13.660 1.00 0.00 C ATOM 0 H LEU A 39 -17.381 -9.758 15.751 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.781 -9.647 17.050 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.413 -11.574 15.696 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.780 -10.559 14.316 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.359 -9.781 14.320 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.748 -11.155 15.613 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.890 -10.323 16.695 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.101 -12.055 16.341 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.481 -11.882 13.341 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.830 -12.786 14.070 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.150 -11.576 12.805 1.00 0.00 H new ATOM 603 N CYS A 40 -15.246 -7.850 14.307 1.00 0.00 N ATOM 604 CA CYS A 40 -14.751 -6.626 13.622 1.00 0.00 C ATOM 605 C CYS A 40 -14.864 -5.455 14.598 1.00 0.00 C ATOM 606 O CYS A 40 -14.164 -4.467 14.491 1.00 0.00 O ATOM 607 CB CYS A 40 -15.603 -6.355 12.387 1.00 0.00 C ATOM 608 SG CYS A 40 -14.792 -5.103 11.371 1.00 0.00 S ATOM 0 H CYS A 40 -15.985 -8.354 13.818 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.714 -6.756 13.312 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.738 -7.273 11.815 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.595 -6.014 12.682 1.00 0.00 H new ATOM 613 N HIS A 41 -15.738 -5.571 15.562 1.00 0.00 N ATOM 614 CA HIS A 41 -15.900 -4.484 16.564 1.00 0.00 C ATOM 615 C HIS A 41 -14.653 -4.438 17.442 1.00 0.00 C ATOM 616 O HIS A 41 -13.930 -3.462 17.462 1.00 0.00 O ATOM 617 CB HIS A 41 -17.125 -4.773 17.433 1.00 0.00 C ATOM 618 CG HIS A 41 -17.511 -3.533 18.193 1.00 0.00 C ATOM 619 ND1 HIS A 41 -18.113 -2.446 17.579 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.390 -3.194 19.518 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.329 -1.514 18.526 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.907 -1.919 19.725 1.00 0.00 N ATOM 0 H HIS A 41 -16.348 -6.377 15.697 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.035 -3.528 16.059 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.956 -5.102 16.809 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.907 -5.584 18.128 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -18.349 -2.367 16.590 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -16.959 -3.822 20.284 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.788 -0.555 18.338 1.00 0.00 H new ATOM 630 N GLU A 42 -14.384 -5.496 18.160 1.00 0.00 N ATOM 631 CA GLU A 42 -13.171 -5.512 19.021 1.00 0.00 C ATOM 632 C GLU A 42 -11.949 -5.274 18.138 1.00 0.00 C ATOM 633 O GLU A 42 -10.892 -4.896 18.606 1.00 0.00 O ATOM 634 CB GLU A 42 -13.049 -6.872 19.712 1.00 0.00 C ATOM 635 CG GLU A 42 -14.209 -7.053 20.692 1.00 0.00 C ATOM 636 CD GLU A 42 -13.951 -8.284 21.562 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.855 -8.814 21.495 1.00 0.00 O ATOM 638 OE2 GLU A 42 -14.855 -8.676 22.282 1.00 0.00 O ATOM 0 H GLU A 42 -14.950 -6.344 18.186 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.241 -4.734 19.781 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.058 -7.671 18.970 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.098 -6.939 20.241 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.312 -6.167 21.318 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.146 -7.169 20.147 1.00 0.00 H new ATOM 645 N ASN A 43 -12.092 -5.487 16.859 1.00 0.00 N ATOM 646 CA ASN A 43 -10.948 -5.265 15.935 1.00 0.00 C ATOM 647 C ASN A 43 -10.776 -3.763 15.715 1.00 0.00 C ATOM 648 O ASN A 43 -9.687 -3.278 15.484 1.00 0.00 O ATOM 649 CB ASN A 43 -11.230 -5.951 14.598 1.00 0.00 C ATOM 650 CG ASN A 43 -11.117 -7.467 14.771 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.505 -7.941 15.708 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.687 -8.255 13.901 1.00 0.00 N ATOM 0 H ASN A 43 -12.953 -5.806 16.415 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.037 -5.682 16.365 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.227 -5.688 14.245 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.523 -5.606 13.844 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.619 -9.267 14.008 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.201 -7.859 13.114 1.00 0.00 H new ATOM 659 N LEU A 44 -11.847 -3.023 15.793 1.00 0.00 N ATOM 660 CA LEU A 44 -11.748 -1.550 15.599 1.00 0.00 C ATOM 661 C LEU A 44 -11.014 -0.938 16.794 1.00 0.00 C ATOM 662 O LEU A 44 -10.219 -0.031 16.649 1.00 0.00 O ATOM 663 CB LEU A 44 -13.154 -0.954 15.505 1.00 0.00 C ATOM 664 CG LEU A 44 -13.074 0.450 14.904 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.334 1.378 15.870 1.00 0.00 C ATOM 666 CD2 LEU A 44 -12.319 0.395 13.574 1.00 0.00 C ATOM 0 H LEU A 44 -12.786 -3.374 15.983 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.202 -1.334 14.681 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.789 -1.589 14.888 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.610 -0.912 16.494 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.082 0.829 14.735 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.277 2.379 15.442 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.871 1.419 16.818 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.327 0.998 16.040 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.262 1.396 13.146 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.311 0.015 13.743 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.845 -0.265 12.884 1.00 0.00 H new ATOM 678 N ILE A 45 -11.273 -1.430 17.974 1.00 0.00 N ATOM 679 CA ILE A 45 -10.590 -0.881 19.178 1.00 0.00 C ATOM 680 C ILE A 45 -9.122 -1.307 19.167 1.00 0.00 C ATOM 681 O ILE A 45 -8.232 -0.510 19.391 1.00 0.00 O ATOM 682 CB ILE A 45 -11.266 -1.419 20.441 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.782 -1.478 20.228 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.954 -0.496 21.619 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.262 -0.171 19.591 1.00 0.00 C ATOM 0 H ILE A 45 -11.929 -2.189 18.156 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.655 0.207 19.167 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.891 -2.420 20.653 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -13.037 -2.322 19.587 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.287 -1.637 21.181 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.435 -0.879 22.519 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.876 -0.455 21.774 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.328 0.505 21.406 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.341 -0.214 19.440 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.021 0.664 20.249 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.767 -0.031 18.630 1.00 0.00 H new ATOM 697 N ARG A 46 -8.861 -2.558 18.905 1.00 0.00 N ATOM 698 CA ARG A 46 -7.449 -3.031 18.876 1.00 0.00 C ATOM 699 C ARG A 46 -6.813 -2.646 17.540 1.00 0.00 C ATOM 700 O ARG A 46 -5.634 -2.359 17.462 1.00 0.00 O ATOM 701 CB ARG A 46 -7.413 -4.553 19.034 1.00 0.00 C ATOM 702 CG ARG A 46 -7.972 -4.938 20.404 1.00 0.00 C ATOM 703 CD ARG A 46 -7.761 -6.436 20.635 1.00 0.00 C ATOM 704 NE ARG A 46 -8.470 -6.852 21.878 1.00 0.00 N ATOM 705 CZ ARG A 46 -8.441 -6.086 22.935 1.00 0.00 C ATOM 706 NH1 ARG A 46 -7.573 -6.317 23.883 1.00 0.00 N ATOM 707 NH2 ARG A 46 -9.277 -5.091 23.045 1.00 0.00 N ATOM 0 H ARG A 46 -9.563 -3.272 18.710 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.896 -2.569 19.693 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.999 -5.025 18.245 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.390 -4.916 18.932 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.475 -4.364 21.186 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.034 -4.696 20.457 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.136 -7.003 19.783 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.697 -6.655 20.720 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.978 -7.736 21.903 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.919 -7.095 23.797 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.549 -5.719 24.709 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.955 -4.910 22.305 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.253 -4.494 23.871 1.00 0.00 H new ATOM 721 N GLN A 47 -7.584 -2.635 16.491 1.00 0.00 N ATOM 722 CA GLN A 47 -7.028 -2.267 15.158 1.00 0.00 C ATOM 723 C GLN A 47 -5.933 -3.261 14.769 1.00 0.00 C ATOM 724 O GLN A 47 -4.918 -2.895 14.211 1.00 0.00 O ATOM 725 CB GLN A 47 -6.438 -0.857 15.226 1.00 0.00 C ATOM 726 CG GLN A 47 -7.554 0.145 15.534 1.00 0.00 C ATOM 727 CD GLN A 47 -6.972 1.558 15.590 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.771 1.732 15.669 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.778 2.583 15.554 1.00 0.00 N ATOM 0 H GLN A 47 -8.578 -2.865 16.498 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.822 -2.294 14.412 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.668 -0.809 15.996 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.958 -0.605 14.280 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.328 0.089 14.769 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.027 -0.103 16.484 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.785 2.438 15.488 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.401 3.530 15.592 1.00 0.00 H new ATOM 738 N THR A 48 -6.132 -4.519 15.057 1.00 0.00 N ATOM 739 CA THR A 48 -5.103 -5.535 14.701 1.00 0.00 C ATOM 740 C THR A 48 -5.569 -6.326 13.477 1.00 0.00 C ATOM 741 O THR A 48 -4.961 -7.305 13.092 1.00 0.00 O ATOM 742 CB THR A 48 -4.900 -6.492 15.879 1.00 0.00 C ATOM 743 OG1 THR A 48 -6.089 -7.238 16.091 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.564 -5.692 17.138 1.00 0.00 C ATOM 0 H THR A 48 -6.962 -4.886 15.523 1.00 0.00 H new ATOM 0 HA THR A 48 -4.162 -5.034 14.474 1.00 0.00 H new ATOM 0 HB THR A 48 -4.079 -7.173 15.656 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.099 -8.014 15.493 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.420 -6.375 17.975 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.650 -5.122 16.973 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.382 -5.008 17.364 1.00 0.00 H new ATOM 752 N ASN A 49 -6.641 -5.909 12.862 1.00 0.00 N ATOM 753 CA ASN A 49 -7.141 -6.639 11.663 1.00 0.00 C ATOM 754 C ASN A 49 -7.253 -8.130 11.983 1.00 0.00 C ATOM 755 O ASN A 49 -6.655 -8.960 11.330 1.00 0.00 O ATOM 756 CB ASN A 49 -6.163 -6.437 10.504 1.00 0.00 C ATOM 757 CG ASN A 49 -6.852 -6.796 9.186 1.00 0.00 C ATOM 758 OD1 ASN A 49 -8.023 -7.118 9.168 1.00 0.00 O ATOM 759 ND2 ASN A 49 -6.169 -6.752 8.074 1.00 0.00 N ATOM 0 H ASN A 49 -7.192 -5.096 13.137 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.122 -6.255 11.384 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.822 -5.402 10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.280 -7.060 10.647 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.619 -6.988 7.190 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.186 -6.481 8.090 1.00 0.00 H new ATOM 766 N THR A 50 -8.013 -8.478 12.985 1.00 0.00 N ATOM 767 CA THR A 50 -8.160 -9.917 13.342 1.00 0.00 C ATOM 768 C THR A 50 -9.171 -10.581 12.408 1.00 0.00 C ATOM 769 O THR A 50 -10.113 -9.962 11.953 1.00 0.00 O ATOM 770 CB THR A 50 -8.653 -10.039 14.785 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.818 -9.268 15.637 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.612 -11.508 15.217 1.00 0.00 C ATOM 0 H THR A 50 -8.538 -7.829 13.571 1.00 0.00 H new ATOM 0 HA THR A 50 -7.193 -10.410 13.241 1.00 0.00 H new ATOM 0 HB THR A 50 -9.677 -9.671 14.852 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.018 -9.786 15.867 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.963 -11.595 16.245 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.254 -12.098 14.563 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.589 -11.878 15.151 1.00 0.00 H new ATOM 780 N HIS A 51 -8.988 -11.841 12.129 1.00 0.00 N ATOM 781 CA HIS A 51 -9.942 -12.553 11.235 1.00 0.00 C ATOM 782 C HIS A 51 -10.528 -13.748 11.989 1.00 0.00 C ATOM 783 O HIS A 51 -10.090 -14.081 13.072 1.00 0.00 O ATOM 784 CB HIS A 51 -9.208 -13.044 9.986 1.00 0.00 C ATOM 785 CG HIS A 51 -8.376 -11.927 9.420 1.00 0.00 C ATOM 786 ND1 HIS A 51 -7.206 -11.497 10.027 1.00 0.00 N ATOM 787 CD2 HIS A 51 -8.529 -11.143 8.303 1.00 0.00 C ATOM 788 CE1 HIS A 51 -6.705 -10.497 9.277 1.00 0.00 C ATOM 789 NE2 HIS A 51 -7.472 -10.242 8.214 1.00 0.00 N ATOM 0 H HIS A 51 -8.218 -12.409 12.482 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.742 -11.876 10.935 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.573 -13.894 10.235 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.926 -13.390 9.242 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.799 -11.870 10.885 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.346 -11.215 7.600 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.793 -9.966 9.507 1.00 0.00 H new ATOM 797 N ILE A 52 -11.513 -14.395 11.432 1.00 0.00 N ATOM 798 CA ILE A 52 -12.116 -15.564 12.129 1.00 0.00 C ATOM 799 C ILE A 52 -11.282 -16.816 11.852 1.00 0.00 C ATOM 800 O ILE A 52 -11.017 -17.162 10.717 1.00 0.00 O ATOM 801 CB ILE A 52 -13.541 -15.785 11.626 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.343 -14.489 11.770 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.199 -16.884 12.458 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.825 -14.782 11.533 1.00 0.00 C ATOM 0 H ILE A 52 -11.925 -14.166 10.528 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.135 -15.369 13.201 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.518 -16.080 10.577 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.199 -14.067 12.765 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.988 -13.747 11.055 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.217 -17.048 12.105 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.628 -17.807 12.359 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.222 -16.583 13.505 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.399 -13.861 11.635 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.960 -15.185 10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.174 -15.510 12.266 1.00 0.00 H new ATOM 816 N ARG A 53 -10.869 -17.495 12.883 1.00 0.00 N ATOM 817 CA ARG A 53 -10.054 -18.728 12.697 1.00 0.00 C ATOM 818 C ARG A 53 -10.974 -19.897 12.349 1.00 0.00 C ATOM 819 O ARG A 53 -10.717 -20.658 11.438 1.00 0.00 O ATOM 820 CB ARG A 53 -9.312 -19.038 13.998 1.00 0.00 C ATOM 821 CG ARG A 53 -8.463 -20.296 13.815 1.00 0.00 C ATOM 822 CD ARG A 53 -7.640 -20.545 15.080 1.00 0.00 C ATOM 823 NE ARG A 53 -6.698 -21.675 14.846 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.337 -22.440 15.840 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.172 -22.274 16.403 1.00 0.00 N ATOM 826 NH2 ARG A 53 -7.142 -23.373 16.271 1.00 0.00 N ATOM 0 H ARG A 53 -11.062 -17.248 13.854 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.337 -18.577 11.890 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.678 -18.196 14.277 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.025 -19.183 14.810 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.104 -21.154 13.611 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.803 -20.180 12.956 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.086 -19.646 15.349 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.300 -20.775 15.916 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.335 -21.851 13.909 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.542 -21.546 16.067 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.891 -22.872 17.180 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.053 -23.504 15.831 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.860 -23.971 17.048 1.00 0.00 H new ATOM 840 N SER A 54 -12.045 -20.040 13.074 1.00 0.00 N ATOM 841 CA SER A 54 -12.994 -21.154 12.802 1.00 0.00 C ATOM 842 C SER A 54 -14.345 -20.822 13.431 1.00 0.00 C ATOM 843 O SER A 54 -14.417 -20.249 14.500 1.00 0.00 O ATOM 844 CB SER A 54 -12.453 -22.450 13.412 1.00 0.00 C ATOM 845 OG SER A 54 -12.602 -23.511 12.481 1.00 0.00 O ATOM 0 H SER A 54 -12.306 -19.430 13.848 1.00 0.00 H new ATOM 0 HA SER A 54 -13.109 -21.283 11.726 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.402 -22.329 13.676 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.989 -22.682 14.333 1.00 0.00 H new ATOM 0 HG SER A 54 -12.254 -24.340 12.871 1.00 0.00 H new ATOM 851 N THR A 55 -15.417 -21.176 12.782 1.00 0.00 N ATOM 852 CA THR A 55 -16.756 -20.875 13.354 1.00 0.00 C ATOM 853 C THR A 55 -16.839 -21.455 14.766 1.00 0.00 C ATOM 854 O THR A 55 -16.233 -22.462 15.071 1.00 0.00 O ATOM 855 CB THR A 55 -17.841 -21.499 12.473 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.823 -22.911 12.633 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.578 -21.144 11.010 1.00 0.00 C ATOM 0 H THR A 55 -15.424 -21.659 11.884 1.00 0.00 H new ATOM 0 HA THR A 55 -16.906 -19.796 13.394 1.00 0.00 H new ATOM 0 HB THR A 55 -18.817 -21.113 12.767 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.518 -23.313 12.071 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.351 -21.589 10.383 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.592 -20.061 10.890 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.603 -21.529 10.712 1.00 0.00 H new ATOM 865 N GLY A 56 -17.579 -20.822 15.634 1.00 0.00 N ATOM 866 CA GLY A 56 -17.691 -21.332 17.029 1.00 0.00 C ATOM 867 C GLY A 56 -16.511 -20.811 17.847 1.00 0.00 C ATOM 868 O GLY A 56 -15.557 -20.282 17.311 1.00 0.00 O ATOM 0 H GLY A 56 -18.111 -19.974 15.437 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.631 -21.006 17.474 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.698 -22.422 17.032 1.00 0.00 H new ATOM 872 N LYS A 57 -16.564 -20.958 19.140 1.00 0.00 N ATOM 873 CA LYS A 57 -15.443 -20.473 19.990 1.00 0.00 C ATOM 874 C LYS A 57 -14.176 -21.262 19.652 1.00 0.00 C ATOM 875 O LYS A 57 -14.225 -22.278 18.988 1.00 0.00 O ATOM 876 CB LYS A 57 -15.790 -20.681 21.465 1.00 0.00 C ATOM 877 CG LYS A 57 -17.030 -19.858 21.820 1.00 0.00 C ATOM 878 CD LYS A 57 -17.277 -19.934 23.327 1.00 0.00 C ATOM 879 CE LYS A 57 -18.551 -19.162 23.674 1.00 0.00 C ATOM 880 NZ LYS A 57 -19.057 -19.609 25.002 1.00 0.00 N ATOM 0 H LYS A 57 -17.336 -21.393 19.645 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.278 -19.412 19.803 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.974 -21.737 21.661 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.950 -20.382 22.093 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.891 -18.821 21.515 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.898 -20.236 21.279 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.373 -20.974 23.639 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.427 -19.516 23.867 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.347 -18.092 23.692 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.310 -19.329 22.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.923 -19.084 25.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.267 -20.627 24.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.334 -19.428 25.728 1.00 0.00 H new ATOM 894 N CYS A 58 -13.043 -20.807 20.108 1.00 0.00 N ATOM 895 CA CYS A 58 -11.778 -21.535 19.818 1.00 0.00 C ATOM 896 C CYS A 58 -11.718 -22.797 20.680 1.00 0.00 C ATOM 897 O CYS A 58 -10.934 -23.693 20.437 1.00 0.00 O ATOM 898 CB CYS A 58 -10.586 -20.640 20.156 1.00 0.00 C ATOM 899 SG CYS A 58 -10.653 -19.130 19.162 1.00 0.00 S ATOM 0 H CYS A 58 -12.939 -19.962 20.669 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.745 -21.804 18.762 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.597 -20.389 21.217 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.654 -21.172 19.964 1.00 0.00 H new ATOM 904 N GLU A 59 -12.542 -22.868 21.688 1.00 0.00 N ATOM 905 CA GLU A 59 -12.538 -24.066 22.576 1.00 0.00 C ATOM 906 C GLU A 59 -13.313 -25.197 21.904 1.00 0.00 C ATOM 907 O GLU A 59 -13.199 -26.347 22.277 1.00 0.00 O ATOM 908 CB GLU A 59 -13.202 -23.716 23.909 1.00 0.00 C ATOM 909 CG GLU A 59 -13.390 -24.991 24.734 1.00 0.00 C ATOM 910 CD GLU A 59 -14.162 -24.661 26.013 1.00 0.00 C ATOM 911 OE1 GLU A 59 -14.738 -23.588 26.074 1.00 0.00 O ATOM 912 OE2 GLU A 59 -14.162 -25.487 26.911 1.00 0.00 O ATOM 0 H GLU A 59 -13.220 -22.147 21.936 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.511 -24.383 22.755 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.587 -23.002 24.458 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.166 -23.238 23.733 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.931 -25.737 24.152 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.420 -25.422 24.983 1.00 0.00 H new ATOM 919 N GLU A 60 -14.097 -24.882 20.911 1.00 0.00 N ATOM 920 CA GLU A 60 -14.874 -25.945 20.214 1.00 0.00 C ATOM 921 C GLU A 60 -13.924 -26.763 19.342 1.00 0.00 C ATOM 922 O GLU A 60 -14.091 -27.954 19.170 1.00 0.00 O ATOM 923 CB GLU A 60 -15.952 -25.307 19.337 1.00 0.00 C ATOM 924 CG GLU A 60 -16.513 -24.073 20.043 1.00 0.00 C ATOM 925 CD GLU A 60 -17.829 -23.662 19.377 1.00 0.00 C ATOM 926 OE1 GLU A 60 -18.118 -24.182 18.311 1.00 0.00 O ATOM 927 OE2 GLU A 60 -18.523 -22.835 19.943 1.00 0.00 O ATOM 0 H GLU A 60 -14.233 -23.937 20.552 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.351 -26.592 20.950 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.532 -25.028 18.370 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.750 -26.023 19.143 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.678 -24.288 21.099 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.796 -23.254 19.993 1.00 0.00 H new ATOM 934 N SER A 61 -12.923 -26.131 18.796 1.00 0.00 N ATOM 935 CA SER A 61 -11.953 -26.869 17.939 1.00 0.00 C ATOM 936 C SER A 61 -11.291 -27.971 18.767 1.00 0.00 C ATOM 937 O SER A 61 -10.722 -28.905 18.237 1.00 0.00 O ATOM 938 CB SER A 61 -10.883 -25.902 17.429 1.00 0.00 C ATOM 939 OG SER A 61 -10.105 -25.435 18.523 1.00 0.00 O ATOM 0 H SER A 61 -12.734 -25.135 18.906 1.00 0.00 H new ATOM 0 HA SER A 61 -12.475 -27.310 17.090 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.243 -26.402 16.701 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.352 -25.061 16.917 1.00 0.00 H new ATOM 0 HG SER A 61 -10.644 -24.828 19.072 1.00 0.00 H new ATOM 945 N SER A 62 -11.363 -27.870 20.067 1.00 0.00 N ATOM 946 CA SER A 62 -10.740 -28.909 20.932 1.00 0.00 C ATOM 947 C SER A 62 -11.819 -29.566 21.795 1.00 0.00 C ATOM 948 O SER A 62 -12.827 -28.963 22.110 1.00 0.00 O ATOM 949 CB SER A 62 -9.692 -28.257 21.836 1.00 0.00 C ATOM 950 OG SER A 62 -8.726 -27.590 21.037 1.00 0.00 O ATOM 0 H SER A 62 -11.827 -27.111 20.566 1.00 0.00 H new ATOM 0 HA SER A 62 -10.263 -29.665 20.308 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.170 -27.550 22.513 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.208 -29.013 22.454 1.00 0.00 H new ATOM 0 HG SER A 62 -8.056 -27.171 21.616 1.00 0.00 H new ATOM 956 N THR A 63 -11.619 -30.796 22.180 1.00 0.00 N ATOM 957 CA THR A 63 -12.635 -31.487 23.021 1.00 0.00 C ATOM 958 C THR A 63 -11.980 -31.977 24.314 1.00 0.00 C ATOM 959 O THR A 63 -11.645 -33.136 24.450 1.00 0.00 O ATOM 960 CB THR A 63 -13.206 -32.683 22.254 1.00 0.00 C ATOM 961 OG1 THR A 63 -13.576 -32.269 20.947 1.00 0.00 O ATOM 962 CG2 THR A 63 -14.434 -33.224 22.987 1.00 0.00 C ATOM 0 H THR A 63 -10.796 -31.352 21.948 1.00 0.00 H new ATOM 0 HA THR A 63 -13.439 -30.792 23.262 1.00 0.00 H new ATOM 0 HB THR A 63 -12.452 -33.467 22.189 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.940 -33.033 20.453 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.839 -34.075 22.439 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.149 -33.540 23.990 1.00 0.00 H new ATOM 0 HG23 THR A 63 -15.191 -32.443 23.054 1.00 0.00 H new ATOM 970 N PRO A 64 -11.793 -31.068 25.283 1.00 0.00 N ATOM 971 CA PRO A 64 -11.176 -31.399 26.572 1.00 0.00 C ATOM 972 C PRO A 64 -12.095 -32.270 27.435 1.00 0.00 C ATOM 973 O PRO A 64 -13.304 -32.151 27.387 1.00 0.00 O ATOM 974 CB PRO A 64 -10.975 -30.037 27.235 1.00 0.00 C ATOM 975 CG PRO A 64 -12.003 -29.157 26.607 1.00 0.00 C ATOM 976 CD PRO A 64 -12.170 -29.645 25.195 1.00 0.00 C ATOM 0 HA PRO A 64 -10.254 -31.968 26.449 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.111 -30.098 28.315 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.968 -29.657 27.062 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.946 -29.211 27.151 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.685 -28.115 26.623 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.195 -29.521 24.845 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.528 -29.101 24.502 1.00 0.00 H new ATOM 984 N GLY A 65 -11.533 -33.146 28.222 1.00 0.00 N ATOM 985 CA GLY A 65 -12.374 -34.023 29.083 1.00 0.00 C ATOM 986 C GLY A 65 -12.852 -33.235 30.305 1.00 0.00 C ATOM 987 O GLY A 65 -12.441 -32.114 30.532 1.00 0.00 O ATOM 0 H GLY A 65 -10.527 -33.292 28.306 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.230 -34.392 28.518 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.802 -34.895 29.401 1.00 0.00 H new ATOM 991 N THR A 66 -13.718 -33.812 31.093 1.00 0.00 N ATOM 992 CA THR A 66 -14.223 -33.096 32.299 1.00 0.00 C ATOM 993 C THR A 66 -13.955 -33.944 33.544 1.00 0.00 C ATOM 994 O THR A 66 -13.688 -35.125 33.457 1.00 0.00 O ATOM 995 CB THR A 66 -15.729 -32.858 32.158 1.00 0.00 C ATOM 996 OG1 THR A 66 -16.421 -34.079 32.379 1.00 0.00 O ATOM 997 CG2 THR A 66 -16.037 -32.342 30.752 1.00 0.00 C ATOM 0 H THR A 66 -14.098 -34.748 30.954 1.00 0.00 H new ATOM 0 HA THR A 66 -13.711 -32.138 32.394 1.00 0.00 H new ATOM 0 HB THR A 66 -16.051 -32.119 32.891 1.00 0.00 H new ATOM 0 HG1 THR A 66 -17.385 -33.929 32.291 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.109 -32.173 30.653 1.00 0.00 H new ATOM 0 HG22 THR A 66 -15.505 -31.406 30.583 1.00 0.00 H new ATOM 0 HG23 THR A 66 -15.716 -33.079 30.016 1.00 0.00 H new ATOM 1005 N THR A 67 -14.025 -33.349 34.704 1.00 0.00 N ATOM 1006 CA THR A 67 -13.775 -34.121 35.953 1.00 0.00 C ATOM 1007 C THR A 67 -14.987 -34.002 36.878 1.00 0.00 C ATOM 1008 O THR A 67 -15.800 -33.110 36.741 1.00 0.00 O ATOM 1009 CB THR A 67 -12.537 -33.563 36.660 1.00 0.00 C ATOM 1010 OG1 THR A 67 -12.864 -32.326 37.278 1.00 0.00 O ATOM 1011 CG2 THR A 67 -11.419 -33.345 35.639 1.00 0.00 C ATOM 0 H THR A 67 -14.244 -32.362 34.840 1.00 0.00 H new ATOM 0 HA THR A 67 -13.609 -35.169 35.704 1.00 0.00 H new ATOM 0 HB THR A 67 -12.201 -34.271 37.418 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.369 -31.769 36.649 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.538 -32.948 36.143 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.169 -34.294 35.165 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.752 -32.637 34.880 1.00 0.00 H new ATOM 1019 N ALA A 68 -15.116 -34.896 37.821 1.00 0.00 N ATOM 1020 CA ALA A 68 -16.276 -34.833 38.754 1.00 0.00 C ATOM 1021 C ALA A 68 -16.243 -33.508 39.520 1.00 0.00 C ATOM 1022 O ALA A 68 -17.269 -32.943 39.845 1.00 0.00 O ATOM 1023 CB ALA A 68 -16.198 -35.997 39.745 1.00 0.00 C ATOM 0 H ALA A 68 -14.468 -35.667 37.985 1.00 0.00 H new ATOM 0 HA ALA A 68 -17.203 -34.901 38.186 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -17.046 -35.951 40.428 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.221 -36.941 39.200 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.271 -35.929 40.314 1.00 0.00 H new ATOM 1029 N ALA A 69 -15.073 -33.009 39.810 1.00 0.00 N ATOM 1030 CA ALA A 69 -14.976 -31.722 40.554 1.00 0.00 C ATOM 1031 C ALA A 69 -15.479 -30.580 39.669 1.00 0.00 C ATOM 1032 O ALA A 69 -15.929 -29.559 40.150 1.00 0.00 O ATOM 1033 CB ALA A 69 -13.519 -31.463 40.938 1.00 0.00 C ATOM 0 H ALA A 69 -14.180 -33.437 39.564 1.00 0.00 H new ATOM 0 HA ALA A 69 -15.586 -31.779 41.456 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.448 -30.521 41.482 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.159 -32.275 41.570 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.909 -31.408 40.036 1.00 0.00 H new ATOM 1039 N SER A 70 -15.406 -30.743 38.376 1.00 0.00 N ATOM 1040 CA SER A 70 -15.878 -29.666 37.460 1.00 0.00 C ATOM 1041 C SER A 70 -17.372 -29.422 37.685 1.00 0.00 C ATOM 1042 O SER A 70 -17.872 -28.337 37.464 1.00 0.00 O ATOM 1043 CB SER A 70 -15.644 -30.092 36.011 1.00 0.00 C ATOM 1044 OG SER A 70 -14.273 -30.414 35.827 1.00 0.00 O ATOM 0 H SER A 70 -15.040 -31.576 37.914 1.00 0.00 H new ATOM 0 HA SER A 70 -15.326 -28.748 37.663 1.00 0.00 H new ATOM 0 HB2 SER A 70 -16.266 -30.954 35.769 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.934 -29.289 35.333 1.00 0.00 H new ATOM 0 HG SER A 70 -14.053 -30.377 34.873 1.00 0.00 H new ATOM 1050 N MET A 71 -18.089 -30.422 38.120 1.00 0.00 N ATOM 1051 CA MET A 71 -19.549 -30.244 38.356 1.00 0.00 C ATOM 1052 C MET A 71 -19.923 -30.829 39.719 1.00 0.00 C ATOM 1053 O MET A 71 -19.222 -31.658 40.263 1.00 0.00 O ATOM 1054 CB MET A 71 -20.334 -30.967 37.259 1.00 0.00 C ATOM 1055 CG MET A 71 -20.240 -30.170 35.956 1.00 0.00 C ATOM 1056 SD MET A 71 -20.751 -31.218 34.571 1.00 0.00 S ATOM 1057 CE MET A 71 -19.574 -30.576 33.356 1.00 0.00 C ATOM 0 H MET A 71 -17.727 -31.354 38.322 1.00 0.00 H new ATOM 0 HA MET A 71 -19.792 -29.182 38.339 1.00 0.00 H new ATOM 0 HB2 MET A 71 -19.936 -31.971 37.113 1.00 0.00 H new ATOM 0 HB3 MET A 71 -21.377 -31.078 37.556 1.00 0.00 H new ATOM 0 HG2 MET A 71 -20.875 -29.286 36.011 1.00 0.00 H new ATOM 0 HG3 MET A 71 -19.219 -29.820 35.804 1.00 0.00 H new ATOM 0 HE1 MET A 71 -19.714 -31.092 32.406 1.00 0.00 H new ATOM 0 HE2 MET A 71 -19.741 -29.508 33.217 1.00 0.00 H new ATOM 0 HE3 MET A 71 -18.557 -30.741 33.712 1.00 0.00 H new ATOM 1067 N PRO A 72 -21.058 -30.380 40.279 1.00 0.00 N ATOM 1068 CA PRO A 72 -21.540 -30.852 41.583 1.00 0.00 C ATOM 1069 C PRO A 72 -22.036 -32.300 41.514 1.00 0.00 C ATOM 1070 O PRO A 72 -22.532 -32.747 40.500 1.00 0.00 O ATOM 1071 CB PRO A 72 -22.705 -29.915 41.895 1.00 0.00 C ATOM 1072 CG PRO A 72 -23.175 -29.441 40.561 1.00 0.00 C ATOM 1073 CD PRO A 72 -21.957 -29.379 39.682 1.00 0.00 C ATOM 0 HA PRO A 72 -20.754 -30.842 42.338 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -23.498 -30.434 42.433 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -22.387 -29.082 42.522 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -23.919 -30.121 40.147 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -23.647 -28.462 40.641 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -22.196 -29.620 38.646 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -21.510 -28.385 39.683 1.00 0.00 H new ATOM 1081 N PRO A 73 -21.895 -33.042 42.622 1.00 0.00 N ATOM 1082 CA PRO A 73 -22.325 -34.445 42.697 1.00 0.00 C ATOM 1083 C PRO A 73 -23.851 -34.575 42.676 1.00 0.00 C ATOM 1084 O PRO A 73 -24.389 -35.662 42.629 1.00 0.00 O ATOM 1085 CB PRO A 73 -21.779 -34.913 44.046 1.00 0.00 C ATOM 1086 CG PRO A 73 -21.655 -33.667 44.856 1.00 0.00 C ATOM 1087 CD PRO A 73 -21.304 -32.573 43.887 1.00 0.00 C ATOM 0 HA PRO A 73 -21.966 -35.029 41.850 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -22.452 -35.628 44.519 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.815 -35.409 43.933 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -22.588 -33.444 45.374 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.884 -33.774 45.619 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.720 -31.614 44.195 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.225 -32.440 43.803 1.00 0.00 H new ATOM 1095 N SER A 74 -24.553 -33.474 42.708 1.00 0.00 N ATOM 1096 CA SER A 74 -26.041 -33.540 42.688 1.00 0.00 C ATOM 1097 C SER A 74 -26.525 -33.645 41.240 1.00 0.00 C ATOM 1098 O SER A 74 -27.679 -33.918 40.978 1.00 0.00 O ATOM 1099 CB SER A 74 -26.619 -32.277 43.329 1.00 0.00 C ATOM 1100 OG SER A 74 -26.360 -31.160 42.492 1.00 0.00 O ATOM 0 H SER A 74 -24.160 -32.534 42.747 1.00 0.00 H new ATOM 0 HA SER A 74 -26.373 -34.414 43.248 1.00 0.00 H new ATOM 0 HB2 SER A 74 -27.693 -32.391 43.479 1.00 0.00 H new ATOM 0 HB3 SER A 74 -26.175 -32.119 44.312 1.00 0.00 H new ATOM 0 HG SER A 74 -26.732 -30.351 42.902 1.00 0.00 H new ATOM 1106 N ASP A 75 -25.649 -33.431 40.296 1.00 0.00 N ATOM 1107 CA ASP A 75 -26.059 -33.519 38.867 1.00 0.00 C ATOM 1108 C ASP A 75 -26.416 -34.968 38.529 1.00 0.00 C ATOM 1109 O ASP A 75 -27.241 -35.232 37.677 1.00 0.00 O ATOM 1110 CB ASP A 75 -24.905 -33.056 37.975 1.00 0.00 C ATOM 1111 CG ASP A 75 -24.629 -31.573 38.228 1.00 0.00 C ATOM 1112 OD1 ASP A 75 -25.474 -30.926 38.824 1.00 0.00 O ATOM 1113 OD2 ASP A 75 -23.576 -31.109 37.820 1.00 0.00 O ATOM 0 H ASP A 75 -24.668 -33.199 40.453 1.00 0.00 H new ATOM 0 HA ASP A 75 -26.926 -32.881 38.697 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -24.011 -33.644 38.184 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -25.155 -33.217 36.926 1.00 0.00 H new ATOM 1118 N GLU A 76 -25.802 -35.910 39.191 1.00 0.00 N ATOM 1119 CA GLU A 76 -26.107 -37.340 38.909 1.00 0.00 C ATOM 1120 C GLU A 76 -25.653 -38.202 40.090 1.00 0.00 C ATOM 1121 O GLU A 76 -24.463 -38.451 40.194 1.00 0.00 O ATOM 1122 CB GLU A 76 -25.367 -37.780 37.644 1.00 0.00 C ATOM 1123 CG GLU A 76 -25.760 -39.218 37.298 1.00 0.00 C ATOM 1124 CD GLU A 76 -24.948 -39.691 36.091 1.00 0.00 C ATOM 1125 OE1 GLU A 76 -24.118 -38.929 35.625 1.00 0.00 O ATOM 1126 OE2 GLU A 76 -25.171 -40.808 35.653 1.00 0.00 O ATOM 1127 OXT GLU A 76 -26.503 -38.598 40.869 1.00 0.00 O ATOM 0 H GLU A 76 -25.102 -35.750 39.915 1.00 0.00 H new ATOM 0 HA GLU A 76 -27.181 -37.460 38.763 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -25.613 -37.115 36.816 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -24.290 -37.713 37.798 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -25.578 -39.872 38.151 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -26.826 -39.272 37.077 1.00 0.00 H new TER 1134 GLU A 76