USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 349 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 39 CYS SG : rot -95:sc= 0.186 USER MOD Set 1.2: A 41 CYS SG : rot 180:sc= 0.984 USER MOD Set 1.3: A 46 CYS SG : rot 70:sc= 1.54 USER MOD Set 1.4: A 48 CYS SG : rot -105:sc= -3.9! USER MOD Set 1.5: A 50 LYS NZ :NH3+ 143:sc= 0.339 (180deg=-0.41) USER MOD Set 1.6: A 52 CYS SG : rot 180:sc= 0.00927 USER MOD Set 1.7: A 58 CYS SG : rot 36:sc= 1.57 USER MOD Set 1.8: A 60 CYS SG : rot 180:sc= -3.24! USER MOD Set 1.9: A 64 CYS SG : rot -170:sc= 0.0456 USER MOD Set 1.10: A 66 CYS SG : rot 180:sc= -1.43! USER MOD Set 1.11: A 67 LYS NZ :NH3+ -174:sc= -1.78! (180deg=-1.41) USER MOD Set 2.1: A 10 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 11 THR OG1 : rot 177:sc= 0.0685 USER MOD Set 2.3: A 14 CYS SG : rot -24:sc= 0.0577 USER MOD Set 2.4: A 19 CYS SG : rot 180:sc= -0.44 USER MOD Set 2.5: A 21 CYS SG : rot 96:sc= -2.07 USER MOD Set 2.6: A 25 CYS SG : rot -160:sc= -1.27 USER MOD Set 2.7: A 27 CYS SG : rot 180:sc= -1.46 USER MOD Set 2.8: A 31 CYS SG : rot 180:sc= 0.144 USER MOD Set 2.9: A 33 CYS SG : rot 180:sc= -0.46 USER MOD Set 2.10: A 36 CYS SG : rot 180:sc= 0.149 USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= 1.27 (180deg=0.925) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.265 K(o=0.27,f=-0.51) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.044 (180deg=-0.329) USER MOD Single : A 26 GLN : amide:sc= -0.235 K(o=-0.24,f=0.39) USER MOD Single : A 32 THR OG1 : rot -42:sc= 0.235 USER MOD Single : A 37 LYS NZ :NH3+ -123:sc= 0.522 (180deg=0.155) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 40 ASN : amide:sc= 1.15 K(o=1.2,f=-0.006) USER MOD Single : A 42 THR OG1 : rot 128:sc= 1.27 USER MOD Single : A 43 SER OG : rot -34:sc= 0.249 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 59:sc= 0.00258 USER MOD Single : A 57 SER OG : rot -40:sc= 0.188 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 118:sc= 1.24 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 15.688 -8.347 -17.311 1.00 0.00 N ATOM 99 CA LYS A 9 17.074 -7.925 -17.176 1.00 0.00 C ATOM 100 C LYS A 9 17.723 -8.524 -15.951 1.00 0.00 C ATOM 101 O LYS A 9 18.924 -8.379 -15.749 1.00 0.00 O ATOM 102 CB LYS A 9 17.146 -6.416 -17.091 1.00 0.00 C ATOM 103 CG LYS A 9 16.940 -5.692 -18.417 1.00 0.00 C ATOM 104 CD LYS A 9 18.143 -5.848 -19.339 1.00 0.00 C ATOM 105 CE LYS A 9 17.942 -5.107 -20.658 1.00 0.00 C ATOM 106 NZ LYS A 9 17.735 -3.649 -20.466 1.00 0.00 N ATOM 0 HA LYS A 9 17.613 -8.278 -18.055 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.393 -6.069 -16.383 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.118 -6.135 -16.686 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.050 -6.083 -18.911 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.761 -4.633 -18.229 1.00 0.00 H new ATOM 0 HD2 LYS A 9 19.035 -5.469 -18.841 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.314 -6.906 -19.538 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.811 -5.266 -21.296 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.082 -5.527 -21.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.923 -3.151 -21.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.753 -3.474 -20.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.384 -3.300 -19.732 1.00 0.00 H new ATOM 120 N CYS A 10 16.944 -9.192 -15.148 1.00 0.00 N ATOM 121 CA CYS A 10 17.444 -9.761 -13.919 1.00 0.00 C ATOM 122 C CYS A 10 18.017 -11.133 -14.135 1.00 0.00 C ATOM 123 O CYS A 10 17.685 -11.824 -15.106 1.00 0.00 O ATOM 124 CB CYS A 10 16.347 -9.818 -12.881 1.00 0.00 C ATOM 125 SG CYS A 10 15.598 -8.226 -12.557 1.00 0.00 S ATOM 0 H CYS A 10 15.953 -9.359 -15.320 1.00 0.00 H new ATOM 0 HA CYS A 10 18.246 -9.115 -13.561 1.00 0.00 H new ATOM 0 HB2 CYS A 10 15.577 -10.513 -13.214 1.00 0.00 H new ATOM 0 HB3 CYS A 10 16.755 -10.216 -11.952 1.00 0.00 H new ATOM 0 HG CYS A 10 14.667 -8.359 -11.659 1.00 0.00 H new ATOM 130 N THR A 11 18.875 -11.518 -13.235 1.00 0.00 N ATOM 131 CA THR A 11 19.509 -12.803 -13.277 1.00 0.00 C ATOM 132 C THR A 11 18.736 -13.788 -12.399 1.00 0.00 C ATOM 133 O THR A 11 17.785 -13.397 -11.716 1.00 0.00 O ATOM 134 CB THR A 11 20.944 -12.683 -12.773 1.00 0.00 C ATOM 135 OG1 THR A 11 20.946 -12.251 -11.405 1.00 0.00 O ATOM 136 CG2 THR A 11 21.687 -11.675 -13.616 1.00 0.00 C ATOM 0 H THR A 11 19.157 -10.941 -12.442 1.00 0.00 H new ATOM 0 HA THR A 11 19.517 -13.167 -14.304 1.00 0.00 H new ATOM 0 HB THR A 11 21.432 -13.655 -12.844 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.868 -12.218 -11.074 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.713 -11.587 -13.258 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.692 -12.003 -14.655 1.00 0.00 H new ATOM 0 HG23 THR A 11 21.193 -10.706 -13.544 1.00 0.00 H new ATOM 144 N SER A 12 19.136 -15.048 -12.398 1.00 0.00 N ATOM 145 CA SER A 12 18.466 -16.050 -11.579 1.00 0.00 C ATOM 146 C SER A 12 18.758 -15.823 -10.091 1.00 0.00 C ATOM 147 O SER A 12 18.041 -16.322 -9.219 1.00 0.00 O ATOM 148 CB SER A 12 18.899 -17.454 -11.999 1.00 0.00 C ATOM 149 OG SER A 12 18.678 -17.654 -13.388 1.00 0.00 O ATOM 0 H SER A 12 19.916 -15.403 -12.951 1.00 0.00 H new ATOM 0 HA SER A 12 17.391 -15.954 -11.733 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.955 -17.598 -11.769 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.344 -18.197 -11.427 1.00 0.00 H new ATOM 0 HG SER A 12 18.963 -18.558 -13.638 1.00 0.00 H new ATOM 155 N ALA A 13 19.798 -15.047 -9.813 1.00 0.00 N ATOM 156 CA ALA A 13 20.190 -14.748 -8.449 1.00 0.00 C ATOM 157 C ALA A 13 19.253 -13.715 -7.823 1.00 0.00 C ATOM 158 O ALA A 13 18.884 -13.828 -6.650 1.00 0.00 O ATOM 159 CB ALA A 13 21.630 -14.266 -8.410 1.00 0.00 C ATOM 0 H ALA A 13 20.387 -14.612 -10.523 1.00 0.00 H new ATOM 0 HA ALA A 13 20.115 -15.663 -7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.912 -14.045 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.284 -15.042 -8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.728 -13.364 -9.015 1.00 0.00 H new ATOM 165 N CYS A 14 18.864 -12.715 -8.609 1.00 0.00 N ATOM 166 CA CYS A 14 17.944 -11.680 -8.135 1.00 0.00 C ATOM 167 C CYS A 14 16.523 -12.232 -8.058 1.00 0.00 C ATOM 168 O CYS A 14 15.689 -11.741 -7.297 1.00 0.00 O ATOM 169 CB CYS A 14 17.989 -10.448 -9.055 1.00 0.00 C ATOM 170 SG CYS A 14 16.905 -9.084 -8.542 1.00 0.00 S ATOM 0 H CYS A 14 19.169 -12.598 -9.575 1.00 0.00 H new ATOM 0 HA CYS A 14 18.257 -11.373 -7.137 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.015 -10.082 -9.101 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.714 -10.754 -10.064 1.00 0.00 H new ATOM 0 HG CYS A 14 15.934 -9.551 -7.815 1.00 0.00 H new ATOM 175 N ARG A 15 16.262 -13.284 -8.834 1.00 0.00 N ATOM 176 CA ARG A 15 14.949 -13.924 -8.847 1.00 0.00 C ATOM 177 C ARG A 15 14.767 -14.814 -7.615 1.00 0.00 C ATOM 178 O ARG A 15 13.725 -15.450 -7.442 1.00 0.00 O ATOM 179 CB ARG A 15 14.758 -14.754 -10.123 1.00 0.00 C ATOM 180 CG ARG A 15 14.836 -13.950 -11.414 1.00 0.00 C ATOM 181 CD ARG A 15 14.562 -14.829 -12.624 1.00 0.00 C ATOM 182 NE ARG A 15 14.632 -14.082 -13.886 1.00 0.00 N ATOM 183 CZ ARG A 15 14.029 -14.465 -15.019 1.00 0.00 C ATOM 184 NH1 ARG A 15 13.314 -15.579 -15.049 1.00 0.00 N ATOM 185 NH2 ARG A 15 14.147 -13.735 -16.119 1.00 0.00 N ATOM 0 H ARG A 15 16.944 -13.710 -9.462 1.00 0.00 H new ATOM 0 HA ARG A 15 14.195 -13.137 -8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.517 -15.536 -10.150 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.789 -15.251 -10.077 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.114 -13.134 -11.382 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.824 -13.498 -11.505 1.00 0.00 H new ATOM 0 HD2 ARG A 15 15.284 -15.645 -12.648 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.574 -15.280 -12.526 1.00 0.00 H new ATOM 0 HE ARG A 15 15.173 -13.218 -13.901 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.221 -16.148 -14.208 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.856 -15.868 -15.913 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.699 -12.877 -16.105 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.686 -14.031 -16.979 1.00 0.00 H new ATOM 199 N SER A 16 15.782 -14.854 -6.772 1.00 0.00 N ATOM 200 CA SER A 16 15.747 -15.632 -5.556 1.00 0.00 C ATOM 201 C SER A 16 15.485 -14.704 -4.367 1.00 0.00 C ATOM 202 O SER A 16 15.707 -13.491 -4.459 1.00 0.00 O ATOM 203 CB SER A 16 17.086 -16.366 -5.381 1.00 0.00 C ATOM 204 OG SER A 16 17.015 -17.355 -4.364 1.00 0.00 O ATOM 0 H SER A 16 16.654 -14.345 -6.915 1.00 0.00 H new ATOM 0 HA SER A 16 14.946 -16.370 -5.610 1.00 0.00 H new ATOM 0 HB2 SER A 16 17.370 -16.833 -6.324 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.866 -15.646 -5.134 1.00 0.00 H new ATOM 0 HG SER A 16 17.883 -17.802 -4.282 1.00 0.00 H new ATOM 210 N GLU A 17 14.996 -15.260 -3.270 1.00 0.00 N ATOM 211 CA GLU A 17 14.746 -14.475 -2.072 1.00 0.00 C ATOM 212 C GLU A 17 15.394 -15.131 -0.850 1.00 0.00 C ATOM 213 O GLU A 17 15.145 -16.303 -0.559 1.00 0.00 O ATOM 214 CB GLU A 17 13.242 -14.264 -1.846 1.00 0.00 C ATOM 215 CG GLU A 17 12.438 -15.544 -1.724 1.00 0.00 C ATOM 216 CD GLU A 17 10.992 -15.282 -1.391 1.00 0.00 C ATOM 217 OE1 GLU A 17 10.630 -15.353 -0.194 1.00 0.00 O ATOM 218 OE2 GLU A 17 10.205 -14.999 -2.321 1.00 0.00 O ATOM 0 H GLU A 17 14.765 -16.250 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 17 15.200 -13.494 -2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.103 -13.675 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.842 -13.676 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.498 -16.099 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.878 -16.174 -0.951 1.00 0.00 H new ATOM 225 N PRO A 18 16.272 -14.400 -0.141 1.00 0.00 N ATOM 226 CA PRO A 18 16.650 -13.023 -0.493 1.00 0.00 C ATOM 227 C PRO A 18 17.523 -12.975 -1.748 1.00 0.00 C ATOM 228 O PRO A 18 17.853 -14.017 -2.324 1.00 0.00 O ATOM 229 CB PRO A 18 17.452 -12.539 0.729 1.00 0.00 C ATOM 230 CG PRO A 18 17.223 -13.568 1.789 1.00 0.00 C ATOM 231 CD PRO A 18 16.955 -14.852 1.068 1.00 0.00 C ATOM 0 HA PRO A 18 15.779 -12.407 -0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.512 -12.449 0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.114 -11.556 1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 18 18.094 -13.660 2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.380 -13.294 2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 18 17.876 -15.388 0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 18 16.333 -15.526 1.657 1.00 0.00 H new ATOM 239 N CYS A 19 17.891 -11.774 -2.161 1.00 0.00 N ATOM 240 CA CYS A 19 18.696 -11.587 -3.351 1.00 0.00 C ATOM 241 C CYS A 19 20.052 -12.270 -3.196 1.00 0.00 C ATOM 242 O CYS A 19 20.706 -12.141 -2.157 1.00 0.00 O ATOM 243 CB CYS A 19 18.884 -10.107 -3.630 1.00 0.00 C ATOM 244 SG CYS A 19 19.458 -9.758 -5.293 1.00 0.00 S ATOM 0 H CYS A 19 17.641 -10.908 -1.683 1.00 0.00 H new ATOM 0 HA CYS A 19 18.175 -12.041 -4.194 1.00 0.00 H new ATOM 0 HB2 CYS A 19 17.938 -9.592 -3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 19 19.598 -9.699 -2.915 1.00 0.00 H new ATOM 0 HG CYS A 19 19.589 -8.474 -5.446 1.00 0.00 H new ATOM 249 N GLN A 20 20.470 -12.987 -4.230 1.00 0.00 N ATOM 250 CA GLN A 20 21.713 -13.752 -4.180 1.00 0.00 C ATOM 251 C GLN A 20 22.746 -13.219 -5.172 1.00 0.00 C ATOM 252 O GLN A 20 23.687 -13.920 -5.529 1.00 0.00 O ATOM 253 CB GLN A 20 21.422 -15.225 -4.486 1.00 0.00 C ATOM 254 CG GLN A 20 20.366 -15.844 -3.588 1.00 0.00 C ATOM 255 CD GLN A 20 20.775 -15.876 -2.127 1.00 0.00 C ATOM 256 OE1 GLN A 20 21.959 -15.973 -1.793 1.00 0.00 O ATOM 257 NE2 GLN A 20 19.803 -15.786 -1.249 1.00 0.00 N ATOM 0 H GLN A 20 19.968 -13.056 -5.115 1.00 0.00 H new ATOM 0 HA GLN A 20 22.128 -13.651 -3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.100 -15.313 -5.523 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.346 -15.795 -4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.437 -15.282 -3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.161 -16.860 -3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 20 18.836 -15.707 -1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 20 20.015 -15.795 -0.251 1.00 0.00 H new ATOM 266 N CYS A 21 22.585 -11.979 -5.596 1.00 0.00 N ATOM 267 CA CYS A 21 23.491 -11.386 -6.573 1.00 0.00 C ATOM 268 C CYS A 21 24.772 -10.878 -5.945 1.00 0.00 C ATOM 269 O CYS A 21 25.091 -9.689 -6.013 1.00 0.00 O ATOM 270 CB CYS A 21 22.807 -10.273 -7.294 1.00 0.00 C ATOM 271 SG CYS A 21 21.413 -10.808 -8.272 1.00 0.00 S ATOM 0 H CYS A 21 21.837 -11.360 -5.282 1.00 0.00 H new ATOM 0 HA CYS A 21 23.764 -12.174 -7.275 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.469 -9.534 -6.568 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.527 -9.775 -7.944 1.00 0.00 H new ATOM 0 HG CYS A 21 20.318 -10.653 -7.588 1.00 0.00 H new ATOM 276 N GLY A 22 25.489 -11.774 -5.330 1.00 0.00 N ATOM 277 CA GLY A 22 26.770 -11.436 -4.757 1.00 0.00 C ATOM 278 C GLY A 22 27.820 -11.276 -5.833 1.00 0.00 C ATOM 279 O GLY A 22 28.434 -10.222 -5.962 1.00 0.00 O ATOM 0 H GLY A 22 25.212 -12.748 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.685 -10.511 -4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 22 27.076 -12.214 -4.058 1.00 0.00 H new ATOM 283 N SER A 23 28.012 -12.324 -6.615 1.00 0.00 N ATOM 284 CA SER A 23 28.961 -12.303 -7.712 1.00 0.00 C ATOM 285 C SER A 23 28.272 -12.705 -9.022 1.00 0.00 C ATOM 286 O SER A 23 28.914 -12.852 -10.057 1.00 0.00 O ATOM 287 CB SER A 23 30.122 -13.254 -7.413 1.00 0.00 C ATOM 288 OG SER A 23 30.689 -12.980 -6.140 1.00 0.00 O ATOM 0 H SER A 23 27.517 -13.209 -6.508 1.00 0.00 H new ATOM 0 HA SER A 23 29.350 -11.291 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 23 29.770 -14.285 -7.444 1.00 0.00 H new ATOM 0 HB3 SER A 23 30.886 -13.155 -8.184 1.00 0.00 H new ATOM 0 HG SER A 23 31.428 -13.601 -5.970 1.00 0.00 H new ATOM 294 N LYS A 24 26.959 -12.877 -8.960 1.00 0.00 N ATOM 295 CA LYS A 24 26.172 -13.276 -10.125 1.00 0.00 C ATOM 296 C LYS A 24 25.220 -12.169 -10.556 1.00 0.00 C ATOM 297 O LYS A 24 24.117 -12.438 -11.045 1.00 0.00 O ATOM 298 CB LYS A 24 25.377 -14.551 -9.819 1.00 0.00 C ATOM 299 CG LYS A 24 26.190 -15.832 -9.899 1.00 0.00 C ATOM 300 CD LYS A 24 26.658 -16.099 -11.324 1.00 0.00 C ATOM 301 CE LYS A 24 27.324 -17.460 -11.450 1.00 0.00 C ATOM 302 NZ LYS A 24 26.384 -18.571 -11.150 1.00 0.00 N ATOM 0 H LYS A 24 26.410 -12.746 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 24 26.866 -13.469 -10.943 1.00 0.00 H new ATOM 0 HB2 LYS A 24 24.951 -14.468 -8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 24 24.542 -14.621 -10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 24 27.053 -15.760 -9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.588 -16.670 -9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.807 -16.046 -12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 24 27.358 -15.321 -11.629 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.716 -17.580 -12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.175 -17.511 -10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 26.765 -19.460 -11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 26.267 -18.658 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 25.462 -18.373 -11.588 1.00 0.00 H new ATOM 316 N CYS A 25 25.638 -10.928 -10.402 1.00 0.00 N ATOM 317 CA CYS A 25 24.787 -9.828 -10.778 1.00 0.00 C ATOM 318 C CYS A 25 25.058 -9.383 -12.200 1.00 0.00 C ATOM 319 O CYS A 25 26.147 -8.912 -12.526 1.00 0.00 O ATOM 320 CB CYS A 25 24.937 -8.648 -9.840 1.00 0.00 C ATOM 321 SG CYS A 25 23.621 -7.427 -10.042 1.00 0.00 S ATOM 0 H CYS A 25 26.548 -10.663 -10.025 1.00 0.00 H new ATOM 0 HA CYS A 25 23.762 -10.193 -10.709 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.941 -9.006 -8.810 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.901 -8.170 -10.015 1.00 0.00 H new ATOM 0 HG CYS A 25 24.007 -6.287 -9.550 1.00 0.00 H new ATOM 326 N GLN A 26 24.059 -9.542 -13.035 1.00 0.00 N ATOM 327 CA GLN A 26 24.119 -9.133 -14.426 1.00 0.00 C ATOM 328 C GLN A 26 22.873 -8.330 -14.757 1.00 0.00 C ATOM 329 O GLN A 26 22.559 -8.099 -15.927 1.00 0.00 O ATOM 330 CB GLN A 26 24.209 -10.364 -15.347 1.00 0.00 C ATOM 331 CG GLN A 26 25.571 -11.048 -15.369 1.00 0.00 C ATOM 332 CD GLN A 26 26.688 -10.137 -15.845 1.00 0.00 C ATOM 333 OE1 GLN A 26 27.341 -9.468 -15.049 1.00 0.00 O ATOM 334 NE2 GLN A 26 26.908 -10.101 -17.143 1.00 0.00 N ATOM 0 H GLN A 26 23.169 -9.964 -12.769 1.00 0.00 H new ATOM 0 HA GLN A 26 25.008 -8.522 -14.584 1.00 0.00 H new ATOM 0 HB2 GLN A 26 23.459 -11.090 -15.034 1.00 0.00 H new ATOM 0 HB3 GLN A 26 23.954 -10.060 -16.362 1.00 0.00 H new ATOM 0 HG2 GLN A 26 25.806 -11.408 -14.367 1.00 0.00 H new ATOM 0 HG3 GLN A 26 25.521 -11.922 -16.019 1.00 0.00 H new ATOM 0 HE21 GLN A 26 26.344 -10.672 -17.772 1.00 0.00 H new ATOM 0 HE22 GLN A 26 27.643 -9.502 -17.519 1.00 0.00 H new ATOM 343 N CYS A 27 22.172 -7.904 -13.711 1.00 0.00 N ATOM 344 CA CYS A 27 20.927 -7.168 -13.852 1.00 0.00 C ATOM 345 C CYS A 27 21.124 -5.855 -14.583 1.00 0.00 C ATOM 346 O CYS A 27 22.121 -5.157 -14.388 1.00 0.00 O ATOM 347 CB CYS A 27 20.290 -6.926 -12.488 1.00 0.00 C ATOM 348 SG CYS A 27 19.815 -8.441 -11.634 1.00 0.00 S ATOM 0 H CYS A 27 22.454 -8.061 -12.743 1.00 0.00 H new ATOM 0 HA CYS A 27 20.255 -7.780 -14.453 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.989 -6.371 -11.863 1.00 0.00 H new ATOM 0 HB3 CYS A 27 19.408 -6.298 -12.615 1.00 0.00 H new ATOM 0 HG CYS A 27 19.285 -8.143 -10.485 1.00 0.00 H new ATOM 353 N GLY A 28 20.175 -5.537 -15.431 1.00 0.00 N ATOM 354 CA GLY A 28 20.240 -4.309 -16.197 1.00 0.00 C ATOM 355 C GLY A 28 19.144 -3.342 -15.815 1.00 0.00 C ATOM 356 O GLY A 28 18.508 -3.505 -14.773 1.00 0.00 O ATOM 0 H GLY A 28 19.349 -6.108 -15.610 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.210 -3.836 -16.042 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.164 -4.541 -17.259 1.00 0.00 H new ATOM 360 N GLU A 29 18.910 -2.344 -16.654 1.00 0.00 N ATOM 361 CA GLU A 29 17.865 -1.366 -16.398 1.00 0.00 C ATOM 362 C GLU A 29 16.503 -2.029 -16.451 1.00 0.00 C ATOM 363 O GLU A 29 16.214 -2.817 -17.357 1.00 0.00 O ATOM 364 CB GLU A 29 17.933 -0.165 -17.367 1.00 0.00 C ATOM 365 CG GLU A 29 18.009 -0.525 -18.848 1.00 0.00 C ATOM 366 CD GLU A 29 19.382 -1.001 -19.258 1.00 0.00 C ATOM 367 OE1 GLU A 29 19.628 -2.223 -19.225 1.00 0.00 O ATOM 368 OE2 GLU A 29 20.226 -0.159 -19.602 1.00 0.00 O ATOM 0 H GLU A 29 19.430 -2.191 -17.518 1.00 0.00 H new ATOM 0 HA GLU A 29 18.027 -0.969 -15.396 1.00 0.00 H new ATOM 0 HB2 GLU A 29 17.055 0.460 -17.207 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.804 0.438 -17.111 1.00 0.00 H new ATOM 0 HG2 GLU A 29 17.278 -1.303 -19.067 1.00 0.00 H new ATOM 0 HG3 GLU A 29 17.737 0.346 -19.445 1.00 0.00 H new ATOM 375 N GLY A 30 15.683 -1.714 -15.482 1.00 0.00 N ATOM 376 CA GLY A 30 14.398 -2.347 -15.357 1.00 0.00 C ATOM 377 C GLY A 30 14.331 -3.103 -14.062 1.00 0.00 C ATOM 378 O GLY A 30 13.272 -3.568 -13.643 1.00 0.00 O ATOM 0 H GLY A 30 15.885 -1.018 -14.764 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.607 -1.597 -15.393 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.233 -3.025 -16.194 1.00 0.00 H new ATOM 382 N CYS A 31 15.483 -3.222 -13.429 1.00 0.00 N ATOM 383 CA CYS A 31 15.600 -3.868 -12.155 1.00 0.00 C ATOM 384 C CYS A 31 15.168 -2.902 -11.071 1.00 0.00 C ATOM 385 O CYS A 31 15.697 -1.786 -10.967 1.00 0.00 O ATOM 386 CB CYS A 31 17.040 -4.321 -11.924 1.00 0.00 C ATOM 387 SG CYS A 31 17.313 -5.126 -10.338 1.00 0.00 S ATOM 0 H CYS A 31 16.366 -2.867 -13.796 1.00 0.00 H new ATOM 0 HA CYS A 31 14.959 -4.749 -12.130 1.00 0.00 H new ATOM 0 HB2 CYS A 31 17.326 -5.007 -12.721 1.00 0.00 H new ATOM 0 HB3 CYS A 31 17.698 -3.455 -11.998 1.00 0.00 H new ATOM 0 HG CYS A 31 18.561 -5.475 -10.238 1.00 0.00 H new ATOM 392 N THR A 32 14.210 -3.310 -10.283 1.00 0.00 N ATOM 393 CA THR A 32 13.668 -2.457 -9.261 1.00 0.00 C ATOM 394 C THR A 32 14.135 -2.907 -7.865 1.00 0.00 C ATOM 395 O THR A 32 13.638 -2.434 -6.838 1.00 0.00 O ATOM 396 CB THR A 32 12.116 -2.425 -9.359 1.00 0.00 C ATOM 397 OG1 THR A 32 11.574 -1.357 -8.568 1.00 0.00 O ATOM 398 CG2 THR A 32 11.506 -3.749 -8.918 1.00 0.00 C ATOM 0 H THR A 32 13.786 -4.236 -10.331 1.00 0.00 H new ATOM 0 HA THR A 32 14.039 -1.444 -9.417 1.00 0.00 H new ATOM 0 HB THR A 32 11.862 -2.256 -10.405 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.045 -1.314 -7.710 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.420 -3.694 -8.998 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.877 -4.551 -9.556 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.784 -3.951 -7.883 1.00 0.00 H new ATOM 406 N CYS A 33 15.116 -3.797 -7.836 1.00 0.00 N ATOM 407 CA CYS A 33 15.651 -4.282 -6.582 1.00 0.00 C ATOM 408 C CYS A 33 16.676 -3.298 -6.035 1.00 0.00 C ATOM 409 O CYS A 33 17.456 -2.716 -6.788 1.00 0.00 O ATOM 410 CB CYS A 33 16.287 -5.662 -6.758 1.00 0.00 C ATOM 411 SG CYS A 33 16.820 -6.427 -5.207 1.00 0.00 S ATOM 0 H CYS A 33 15.554 -4.195 -8.667 1.00 0.00 H new ATOM 0 HA CYS A 33 14.830 -4.373 -5.871 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.571 -6.321 -7.250 1.00 0.00 H new ATOM 0 HB3 CYS A 33 17.147 -5.573 -7.422 1.00 0.00 H new ATOM 0 HG CYS A 33 17.343 -7.591 -5.455 1.00 0.00 H new ATOM 416 N ALA A 34 16.670 -3.108 -4.730 1.00 0.00 N ATOM 417 CA ALA A 34 17.593 -2.185 -4.093 1.00 0.00 C ATOM 418 C ALA A 34 18.766 -2.934 -3.477 1.00 0.00 C ATOM 419 O ALA A 34 19.658 -2.334 -2.876 1.00 0.00 O ATOM 420 CB ALA A 34 16.871 -1.364 -3.035 1.00 0.00 C ATOM 0 H ALA A 34 16.035 -3.581 -4.087 1.00 0.00 H new ATOM 0 HA ALA A 34 17.983 -1.509 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.574 -0.676 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.066 -0.797 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.455 -2.030 -2.279 1.00 0.00 H new ATOM 426 N ALA A 35 18.764 -4.246 -3.631 1.00 0.00 N ATOM 427 CA ALA A 35 19.813 -5.078 -3.075 1.00 0.00 C ATOM 428 C ALA A 35 21.070 -5.032 -3.926 1.00 0.00 C ATOM 429 O ALA A 35 22.164 -4.772 -3.421 1.00 0.00 O ATOM 430 CB ALA A 35 19.333 -6.515 -2.927 1.00 0.00 C ATOM 0 H ALA A 35 18.044 -4.759 -4.139 1.00 0.00 H new ATOM 0 HA ALA A 35 20.059 -4.682 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.134 -7.125 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.470 -6.544 -2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.052 -6.907 -3.904 1.00 0.00 H new ATOM 436 N CYS A 36 20.910 -5.271 -5.211 1.00 0.00 N ATOM 437 CA CYS A 36 22.037 -5.349 -6.119 1.00 0.00 C ATOM 438 C CYS A 36 22.250 -4.055 -6.926 1.00 0.00 C ATOM 439 O CYS A 36 23.340 -3.824 -7.450 1.00 0.00 O ATOM 440 CB CYS A 36 21.838 -6.539 -7.045 1.00 0.00 C ATOM 441 SG CYS A 36 20.180 -6.625 -7.749 1.00 0.00 S ATOM 0 H CYS A 36 20.003 -5.416 -5.654 1.00 0.00 H new ATOM 0 HA CYS A 36 22.941 -5.480 -5.524 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.567 -6.487 -7.854 1.00 0.00 H new ATOM 0 HB3 CYS A 36 22.039 -7.457 -6.494 1.00 0.00 H new ATOM 0 HG CYS A 36 20.092 -7.663 -8.527 1.00 0.00 H new ATOM 446 N LYS A 37 21.228 -3.217 -7.019 1.00 0.00 N ATOM 447 CA LYS A 37 21.348 -1.969 -7.772 1.00 0.00 C ATOM 448 C LYS A 37 22.150 -0.941 -6.978 1.00 0.00 C ATOM 449 O LYS A 37 21.884 -0.710 -5.800 1.00 0.00 O ATOM 450 CB LYS A 37 19.970 -1.397 -8.118 1.00 0.00 C ATOM 451 CG LYS A 37 20.025 -0.210 -9.077 1.00 0.00 C ATOM 452 CD LYS A 37 18.666 0.463 -9.238 1.00 0.00 C ATOM 453 CE LYS A 37 18.198 1.082 -7.931 1.00 0.00 C ATOM 454 NZ LYS A 37 16.980 1.914 -8.106 1.00 0.00 N ATOM 0 H LYS A 37 20.316 -3.372 -6.590 1.00 0.00 H new ATOM 0 HA LYS A 37 21.872 -2.191 -8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.360 -2.184 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.473 -1.088 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.748 0.518 -8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.379 -0.548 -10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.728 1.234 -10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.934 -0.269 -9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.994 0.291 -7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.997 1.695 -7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.168 2.880 -7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.721 1.943 -9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.197 1.502 -7.559 1.00 0.00 H new ATOM 468 N THR A 38 23.117 -0.326 -7.625 1.00 0.00 N ATOM 469 CA THR A 38 23.955 0.663 -6.979 1.00 0.00 C ATOM 470 C THR A 38 24.095 1.911 -7.867 1.00 0.00 C ATOM 471 O THR A 38 23.475 1.994 -8.927 1.00 0.00 O ATOM 472 CB THR A 38 25.351 0.065 -6.643 1.00 0.00 C ATOM 473 OG1 THR A 38 26.146 1.010 -5.912 1.00 0.00 O ATOM 474 CG2 THR A 38 26.083 -0.360 -7.909 1.00 0.00 C ATOM 0 H THR A 38 23.344 -0.495 -8.605 1.00 0.00 H new ATOM 0 HA THR A 38 23.480 0.959 -6.044 1.00 0.00 H new ATOM 0 HB THR A 38 25.193 -0.817 -6.022 1.00 0.00 H new ATOM 0 HG1 THR A 38 27.019 0.615 -5.709 1.00 0.00 H new ATOM 0 HG21 THR A 38 27.056 -0.774 -7.645 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.497 -1.115 -8.432 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.221 0.505 -8.557 1.00 0.00 H new ATOM 482 N CYS A 39 24.889 2.870 -7.421 1.00 0.00 N ATOM 483 CA CYS A 39 25.107 4.115 -8.146 1.00 0.00 C ATOM 484 C CYS A 39 26.366 4.801 -7.632 1.00 0.00 C ATOM 485 O CYS A 39 26.768 4.587 -6.488 1.00 0.00 O ATOM 486 CB CYS A 39 23.897 5.044 -7.985 1.00 0.00 C ATOM 487 SG CYS A 39 24.104 6.685 -8.711 1.00 0.00 S ATOM 0 H CYS A 39 25.404 2.809 -6.542 1.00 0.00 H new ATOM 0 HA CYS A 39 25.233 3.888 -9.205 1.00 0.00 H new ATOM 0 HB2 CYS A 39 23.028 4.568 -8.439 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.681 5.156 -6.923 1.00 0.00 H new ATOM 0 HG CYS A 39 24.515 7.515 -7.798 1.00 0.00 H new ATOM 492 N ASN A 40 26.997 5.607 -8.476 1.00 0.00 N ATOM 493 CA ASN A 40 28.209 6.311 -8.076 1.00 0.00 C ATOM 494 C ASN A 40 27.999 7.817 -7.978 1.00 0.00 C ATOM 495 O ASN A 40 28.850 8.524 -7.450 1.00 0.00 O ATOM 496 CB ASN A 40 29.386 5.985 -9.000 1.00 0.00 C ATOM 497 CG ASN A 40 29.982 4.613 -8.718 1.00 0.00 C ATOM 498 OD1 ASN A 40 30.862 4.467 -7.869 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.509 3.604 -9.421 1.00 0.00 N ATOM 0 H ASN A 40 26.694 5.789 -9.433 1.00 0.00 H new ATOM 0 HA ASN A 40 28.456 5.952 -7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 40 29.053 6.027 -10.037 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.158 6.745 -8.882 1.00 0.00 H new ATOM 0 HD21 ASN A 40 29.872 2.663 -9.270 1.00 0.00 H new ATOM 0 HD22 ASN A 40 28.780 3.764 -10.116 1.00 0.00 H new ATOM 506 N CYS A 41 26.884 8.322 -8.492 1.00 0.00 N ATOM 507 CA CYS A 41 26.598 9.735 -8.350 1.00 0.00 C ATOM 508 C CYS A 41 26.078 9.979 -6.941 1.00 0.00 C ATOM 509 O CYS A 41 25.187 9.280 -6.473 1.00 0.00 O ATOM 510 CB CYS A 41 25.593 10.221 -9.408 1.00 0.00 C ATOM 511 SG CYS A 41 26.190 10.110 -11.140 1.00 0.00 S ATOM 0 H CYS A 41 26.181 7.785 -8.999 1.00 0.00 H new ATOM 0 HA CYS A 41 27.512 10.307 -8.511 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.677 9.637 -9.315 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.333 11.257 -9.193 1.00 0.00 H new ATOM 0 HG CYS A 41 25.266 10.542 -11.946 1.00 0.00 H new ATOM 516 N THR A 42 26.646 10.948 -6.269 1.00 0.00 N ATOM 517 CA THR A 42 26.314 11.201 -4.880 1.00 0.00 C ATOM 518 C THR A 42 25.411 12.414 -4.736 1.00 0.00 C ATOM 519 O THR A 42 25.133 13.104 -5.709 1.00 0.00 O ATOM 520 CB THR A 42 27.592 11.394 -4.030 1.00 0.00 C ATOM 521 OG1 THR A 42 28.432 12.406 -4.619 1.00 0.00 O ATOM 522 CG2 THR A 42 28.368 10.089 -3.925 1.00 0.00 C ATOM 0 H THR A 42 27.345 11.580 -6.659 1.00 0.00 H new ATOM 0 HA THR A 42 25.776 10.326 -4.514 1.00 0.00 H new ATOM 0 HB THR A 42 27.292 11.709 -3.030 1.00 0.00 H new ATOM 0 HG1 THR A 42 28.663 13.075 -3.941 1.00 0.00 H new ATOM 0 HG21 THR A 42 29.263 10.245 -3.323 1.00 0.00 H new ATOM 0 HG22 THR A 42 27.742 9.331 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 42 28.655 9.755 -4.922 1.00 0.00 H new ATOM 530 N SER A 43 24.976 12.682 -3.506 1.00 0.00 N ATOM 531 CA SER A 43 24.093 13.806 -3.208 1.00 0.00 C ATOM 532 C SER A 43 24.796 15.143 -3.471 1.00 0.00 C ATOM 533 O SER A 43 24.178 16.204 -3.405 1.00 0.00 O ATOM 534 CB SER A 43 23.613 13.725 -1.752 1.00 0.00 C ATOM 535 OG SER A 43 22.600 14.686 -1.474 1.00 0.00 O ATOM 0 H SER A 43 25.226 12.126 -2.689 1.00 0.00 H new ATOM 0 HA SER A 43 23.228 13.749 -3.868 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.230 12.725 -1.551 1.00 0.00 H new ATOM 0 HB3 SER A 43 24.458 13.883 -1.082 1.00 0.00 H new ATOM 0 HG SER A 43 22.766 15.497 -1.999 1.00 0.00 H new ATOM 541 N ASP A 44 26.087 15.079 -3.767 1.00 0.00 N ATOM 542 CA ASP A 44 26.856 16.266 -4.092 1.00 0.00 C ATOM 543 C ASP A 44 26.446 16.776 -5.461 1.00 0.00 C ATOM 544 O ASP A 44 26.545 17.965 -5.750 1.00 0.00 O ATOM 545 CB ASP A 44 28.359 15.961 -4.089 1.00 0.00 C ATOM 546 CG ASP A 44 28.847 15.408 -2.770 1.00 0.00 C ATOM 547 OD1 ASP A 44 28.888 16.168 -1.775 1.00 0.00 O ATOM 548 OD2 ASP A 44 29.201 14.206 -2.721 1.00 0.00 O ATOM 0 H ASP A 44 26.623 14.212 -3.788 1.00 0.00 H new ATOM 0 HA ASP A 44 26.655 17.026 -3.337 1.00 0.00 H new ATOM 0 HB2 ASP A 44 28.580 15.245 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 44 28.910 16.873 -4.320 1.00 0.00 H new ATOM 553 N GLY A 45 25.982 15.862 -6.295 1.00 0.00 N ATOM 554 CA GLY A 45 25.561 16.212 -7.624 1.00 0.00 C ATOM 555 C GLY A 45 25.690 15.045 -8.576 1.00 0.00 C ATOM 556 O GLY A 45 26.496 14.134 -8.349 1.00 0.00 O ATOM 0 H GLY A 45 25.890 14.872 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 45 24.525 16.550 -7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 45 26.160 17.047 -7.988 1.00 0.00 H new ATOM 560 N CYS A 46 24.901 15.064 -9.631 1.00 0.00 N ATOM 561 CA CYS A 46 24.936 14.012 -10.629 1.00 0.00 C ATOM 562 C CYS A 46 26.180 14.169 -11.491 1.00 0.00 C ATOM 563 O CYS A 46 26.541 15.288 -11.884 1.00 0.00 O ATOM 564 CB CYS A 46 23.686 14.071 -11.504 1.00 0.00 C ATOM 565 SG CYS A 46 23.658 12.856 -12.844 1.00 0.00 S ATOM 0 H CYS A 46 24.223 15.802 -9.821 1.00 0.00 H new ATOM 0 HA CYS A 46 24.964 13.046 -10.126 1.00 0.00 H new ATOM 0 HB2 CYS A 46 22.809 13.921 -10.875 1.00 0.00 H new ATOM 0 HB3 CYS A 46 23.604 15.070 -11.933 1.00 0.00 H new ATOM 0 HG CYS A 46 23.505 11.665 -12.347 1.00 0.00 H new ATOM 570 N LYS A 47 26.841 13.070 -11.789 1.00 0.00 N ATOM 571 CA LYS A 47 28.064 13.138 -12.560 1.00 0.00 C ATOM 572 C LYS A 47 27.960 12.382 -13.878 1.00 0.00 C ATOM 573 O LYS A 47 28.891 12.399 -14.673 1.00 0.00 O ATOM 574 CB LYS A 47 29.251 12.626 -11.740 1.00 0.00 C ATOM 575 CG LYS A 47 29.453 13.375 -10.427 1.00 0.00 C ATOM 576 CD LYS A 47 30.794 13.054 -9.788 1.00 0.00 C ATOM 577 CE LYS A 47 30.937 11.577 -9.465 1.00 0.00 C ATOM 578 NZ LYS A 47 32.244 11.279 -8.828 1.00 0.00 N ATOM 0 H LYS A 47 26.557 12.130 -11.513 1.00 0.00 H new ATOM 0 HA LYS A 47 28.229 14.188 -12.803 1.00 0.00 H new ATOM 0 HB2 LYS A 47 29.105 11.567 -11.526 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.158 12.708 -12.339 1.00 0.00 H new ATOM 0 HG2 LYS A 47 29.385 14.448 -10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 47 28.651 13.117 -9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 47 31.597 13.356 -10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 47 30.908 13.637 -8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 47 30.130 11.270 -8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 47 30.836 10.993 -10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 32.306 10.261 -8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 33.014 11.549 -9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 32.329 11.817 -7.942 1.00 0.00 H new ATOM 592 N CYS A 48 26.843 11.721 -14.116 1.00 0.00 N ATOM 593 CA CYS A 48 26.685 10.983 -15.358 1.00 0.00 C ATOM 594 C CYS A 48 25.798 11.760 -16.334 1.00 0.00 C ATOM 595 O CYS A 48 26.028 11.743 -17.546 1.00 0.00 O ATOM 596 CB CYS A 48 26.114 9.593 -15.093 1.00 0.00 C ATOM 597 SG CYS A 48 24.336 9.557 -14.852 1.00 0.00 S ATOM 0 H CYS A 48 26.046 11.678 -13.481 1.00 0.00 H new ATOM 0 HA CYS A 48 27.668 10.861 -15.813 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.368 8.943 -15.930 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.597 9.177 -14.209 1.00 0.00 H new ATOM 0 HG CYS A 48 24.072 9.399 -13.589 1.00 0.00 H new ATOM 602 N GLY A 49 24.795 12.452 -15.798 1.00 0.00 N ATOM 603 CA GLY A 49 23.917 13.245 -16.633 1.00 0.00 C ATOM 604 C GLY A 49 22.473 12.768 -16.606 1.00 0.00 C ATOM 605 O GLY A 49 21.671 13.164 -17.451 1.00 0.00 O ATOM 0 H GLY A 49 24.577 12.476 -14.802 1.00 0.00 H new ATOM 0 HA2 GLY A 49 23.956 14.284 -16.306 1.00 0.00 H new ATOM 0 HA3 GLY A 49 24.282 13.220 -17.660 1.00 0.00 H new ATOM 609 N LYS A 50 22.137 11.912 -15.648 1.00 0.00 N ATOM 610 CA LYS A 50 20.765 11.413 -15.522 1.00 0.00 C ATOM 611 C LYS A 50 20.025 12.151 -14.410 1.00 0.00 C ATOM 612 O LYS A 50 18.840 11.897 -14.168 1.00 0.00 O ATOM 613 CB LYS A 50 20.760 9.911 -15.230 1.00 0.00 C ATOM 614 CG LYS A 50 21.529 9.075 -16.239 1.00 0.00 C ATOM 615 CD LYS A 50 20.866 9.050 -17.600 1.00 0.00 C ATOM 616 CE LYS A 50 21.724 8.288 -18.601 1.00 0.00 C ATOM 617 NZ LYS A 50 22.098 6.938 -18.096 1.00 0.00 N ATOM 0 H LYS A 50 22.787 11.549 -14.950 1.00 0.00 H new ATOM 0 HA LYS A 50 20.256 11.592 -16.469 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.183 9.744 -14.240 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.728 9.562 -15.198 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.540 9.471 -16.338 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.622 8.055 -15.865 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.885 8.582 -17.524 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.707 10.069 -17.951 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.182 8.187 -19.541 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.628 8.859 -18.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.095 6.259 -18.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 23.048 6.976 -17.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.412 6.635 -17.375 1.00 0.00 H new ATOM 631 N GLU A 51 20.737 13.067 -13.741 1.00 0.00 N ATOM 632 CA GLU A 51 20.187 13.855 -12.627 1.00 0.00 C ATOM 633 C GLU A 51 19.897 12.969 -11.423 1.00 0.00 C ATOM 634 O GLU A 51 19.021 13.271 -10.602 1.00 0.00 O ATOM 635 CB GLU A 51 18.931 14.614 -13.058 1.00 0.00 C ATOM 636 CG GLU A 51 19.195 15.655 -14.120 1.00 0.00 C ATOM 637 CD GLU A 51 17.936 16.191 -14.732 1.00 0.00 C ATOM 638 OE1 GLU A 51 17.388 15.529 -15.628 1.00 0.00 O ATOM 639 OE2 GLU A 51 17.486 17.276 -14.333 1.00 0.00 O ATOM 0 H GLU A 51 21.710 13.284 -13.956 1.00 0.00 H new ATOM 0 HA GLU A 51 20.939 14.588 -12.334 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.196 13.902 -13.432 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.491 15.098 -12.186 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.760 16.478 -13.683 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.818 15.220 -14.902 1.00 0.00 H new ATOM 646 N CYS A 52 20.645 11.892 -11.313 1.00 0.00 N ATOM 647 CA CYS A 52 20.504 10.972 -10.214 1.00 0.00 C ATOM 648 C CYS A 52 21.574 11.250 -9.173 1.00 0.00 C ATOM 649 O CYS A 52 22.655 11.740 -9.497 1.00 0.00 O ATOM 650 CB CYS A 52 20.622 9.539 -10.713 1.00 0.00 C ATOM 651 SG CYS A 52 22.166 9.197 -11.572 1.00 0.00 S ATOM 0 H CYS A 52 21.367 11.633 -11.985 1.00 0.00 H new ATOM 0 HA CYS A 52 19.521 11.106 -9.761 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.530 8.860 -9.866 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.789 9.327 -11.383 1.00 0.00 H new ATOM 0 HG CYS A 52 22.181 7.956 -11.959 1.00 0.00 H new ATOM 656 N THR A 53 21.268 10.959 -7.931 1.00 0.00 N ATOM 657 CA THR A 53 22.200 11.180 -6.850 1.00 0.00 C ATOM 658 C THR A 53 22.095 10.055 -5.818 1.00 0.00 C ATOM 659 O THR A 53 21.738 10.284 -4.656 1.00 0.00 O ATOM 660 CB THR A 53 21.937 12.538 -6.165 1.00 0.00 C ATOM 661 OG1 THR A 53 20.530 12.697 -5.920 1.00 0.00 O ATOM 662 CG2 THR A 53 22.432 13.696 -7.020 1.00 0.00 C ATOM 0 H THR A 53 20.373 10.565 -7.642 1.00 0.00 H new ATOM 0 HA THR A 53 23.206 11.190 -7.270 1.00 0.00 H new ATOM 0 HB THR A 53 22.483 12.547 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.212 11.966 -5.350 1.00 0.00 H new ATOM 0 HG21 THR A 53 22.231 14.638 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.505 13.594 -7.185 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.915 13.687 -7.979 1.00 0.00 H new ATOM 670 N GLY A 54 22.389 8.843 -6.253 1.00 0.00 N ATOM 671 CA GLY A 54 22.296 7.692 -5.379 1.00 0.00 C ATOM 672 C GLY A 54 21.390 6.626 -5.964 1.00 0.00 C ATOM 673 O GLY A 54 20.520 6.944 -6.772 1.00 0.00 O ATOM 0 H GLY A 54 22.693 8.632 -7.204 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.290 7.277 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.915 8.002 -4.406 1.00 0.00 H new ATOM 677 N PRO A 55 21.564 5.344 -5.566 1.00 0.00 N ATOM 678 CA PRO A 55 20.781 4.221 -6.109 1.00 0.00 C ATOM 679 C PRO A 55 19.268 4.436 -6.023 1.00 0.00 C ATOM 680 O PRO A 55 18.534 4.090 -6.951 1.00 0.00 O ATOM 681 CB PRO A 55 21.205 3.016 -5.247 1.00 0.00 C ATOM 682 CG PRO A 55 21.945 3.591 -4.084 1.00 0.00 C ATOM 683 CD PRO A 55 22.531 4.892 -4.556 1.00 0.00 C ATOM 0 HA PRO A 55 20.977 4.090 -7.173 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.336 2.447 -4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.837 2.332 -5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.276 3.750 -3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.728 2.912 -3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.629 5.610 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.525 4.756 -4.982 1.00 0.00 H new ATOM 691 N ASP A 56 18.814 5.027 -4.926 1.00 0.00 N ATOM 692 CA ASP A 56 17.383 5.272 -4.706 1.00 0.00 C ATOM 693 C ASP A 56 16.802 6.189 -5.777 1.00 0.00 C ATOM 694 O ASP A 56 15.681 5.982 -6.250 1.00 0.00 O ATOM 695 CB ASP A 56 17.151 5.884 -3.322 1.00 0.00 C ATOM 696 CG ASP A 56 15.694 6.205 -3.056 1.00 0.00 C ATOM 697 OD1 ASP A 56 15.277 7.350 -3.317 1.00 0.00 O ATOM 698 OD2 ASP A 56 14.959 5.310 -2.580 1.00 0.00 O ATOM 0 H ASP A 56 19.414 5.349 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 56 16.873 4.310 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.511 5.193 -2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.741 6.796 -3.230 1.00 0.00 H new ATOM 703 N SER A 57 17.578 7.177 -6.173 1.00 0.00 N ATOM 704 CA SER A 57 17.139 8.151 -7.155 1.00 0.00 C ATOM 705 C SER A 57 17.672 7.791 -8.548 1.00 0.00 C ATOM 706 O SER A 57 17.442 8.512 -9.524 1.00 0.00 O ATOM 707 CB SER A 57 17.625 9.550 -6.735 1.00 0.00 C ATOM 708 OG SER A 57 17.043 10.568 -7.530 1.00 0.00 O ATOM 0 H SER A 57 18.525 7.328 -5.827 1.00 0.00 H new ATOM 0 HA SER A 57 16.050 8.148 -7.202 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.379 9.721 -5.687 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.711 9.599 -6.819 1.00 0.00 H new ATOM 0 HG SER A 57 16.999 10.270 -8.463 1.00 0.00 H new ATOM 714 N CYS A 58 18.364 6.672 -8.636 1.00 0.00 N ATOM 715 CA CYS A 58 18.960 6.248 -9.884 1.00 0.00 C ATOM 716 C CYS A 58 18.033 5.328 -10.667 1.00 0.00 C ATOM 717 O CYS A 58 17.455 4.378 -10.115 1.00 0.00 O ATOM 718 CB CYS A 58 20.294 5.556 -9.628 1.00 0.00 C ATOM 719 SG CYS A 58 21.130 5.001 -11.123 1.00 0.00 S ATOM 0 H CYS A 58 18.527 6.039 -7.853 1.00 0.00 H new ATOM 0 HA CYS A 58 19.130 7.140 -10.486 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.950 6.241 -9.090 1.00 0.00 H new ATOM 0 HB3 CYS A 58 20.127 4.698 -8.977 1.00 0.00 H new ATOM 0 HG CYS A 58 20.916 5.853 -12.081 1.00 0.00 H new ATOM 724 N LYS A 59 17.907 5.612 -11.955 1.00 0.00 N ATOM 725 CA LYS A 59 17.074 4.827 -12.853 1.00 0.00 C ATOM 726 C LYS A 59 17.936 4.176 -13.934 1.00 0.00 C ATOM 727 O LYS A 59 17.426 3.632 -14.919 1.00 0.00 O ATOM 728 CB LYS A 59 16.013 5.722 -13.504 1.00 0.00 C ATOM 729 CG LYS A 59 16.596 6.906 -14.272 1.00 0.00 C ATOM 730 CD LYS A 59 15.512 7.735 -14.951 1.00 0.00 C ATOM 731 CE LYS A 59 14.781 6.936 -16.023 1.00 0.00 C ATOM 732 NZ LYS A 59 13.793 7.767 -16.751 1.00 0.00 N ATOM 0 H LYS A 59 18.380 6.394 -12.407 1.00 0.00 H new ATOM 0 HA LYS A 59 16.577 4.047 -12.277 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.411 5.120 -14.184 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.342 6.097 -12.731 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.161 7.539 -13.588 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.297 6.542 -15.023 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.797 8.081 -14.204 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.959 8.622 -15.400 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.504 6.529 -16.729 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.274 6.088 -15.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.316 7.188 -17.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.088 8.135 -16.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.280 8.562 -17.212 1.00 0.00 H new ATOM 746 N CYS A 60 19.240 4.237 -13.744 1.00 0.00 N ATOM 747 CA CYS A 60 20.179 3.687 -14.702 1.00 0.00 C ATOM 748 C CYS A 60 20.364 2.195 -14.485 1.00 0.00 C ATOM 749 O CYS A 60 20.108 1.676 -13.391 1.00 0.00 O ATOM 750 CB CYS A 60 21.536 4.378 -14.569 1.00 0.00 C ATOM 751 SG CYS A 60 21.462 6.178 -14.500 1.00 0.00 S ATOM 0 H CYS A 60 19.676 4.666 -12.928 1.00 0.00 H new ATOM 0 HA CYS A 60 19.774 3.856 -15.700 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.027 4.013 -13.667 1.00 0.00 H new ATOM 0 HB3 CYS A 60 22.161 4.086 -15.413 1.00 0.00 H new ATOM 0 HG CYS A 60 22.665 6.658 -14.385 1.00 0.00 H new ATOM 756 N GLY A 61 20.803 1.514 -15.524 1.00 0.00 N ATOM 757 CA GLY A 61 21.110 0.115 -15.414 1.00 0.00 C ATOM 758 C GLY A 61 22.540 -0.069 -14.984 1.00 0.00 C ATOM 759 O GLY A 61 23.184 0.891 -14.566 1.00 0.00 O ATOM 0 H GLY A 61 20.953 1.912 -16.451 1.00 0.00 H new ATOM 0 HA2 GLY A 61 20.442 -0.356 -14.693 1.00 0.00 H new ATOM 0 HA3 GLY A 61 20.944 -0.378 -16.372 1.00 0.00 H new ATOM 763 N SER A 62 23.058 -1.267 -15.104 1.00 0.00 N ATOM 764 CA SER A 62 24.422 -1.533 -14.690 1.00 0.00 C ATOM 765 C SER A 62 25.432 -1.074 -15.739 1.00 0.00 C ATOM 766 O SER A 62 26.620 -0.945 -15.451 1.00 0.00 O ATOM 767 CB SER A 62 24.605 -3.009 -14.364 1.00 0.00 C ATOM 768 OG SER A 62 23.761 -3.392 -13.286 1.00 0.00 O ATOM 0 H SER A 62 22.561 -2.073 -15.483 1.00 0.00 H new ATOM 0 HA SER A 62 24.611 -0.954 -13.786 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.377 -3.612 -15.243 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.646 -3.203 -14.105 1.00 0.00 H new ATOM 0 HG SER A 62 23.129 -4.076 -13.592 1.00 0.00 H new ATOM 774 N SER A 63 24.964 -0.816 -16.941 1.00 0.00 N ATOM 775 CA SER A 63 25.841 -0.354 -17.993 1.00 0.00 C ATOM 776 C SER A 63 25.737 1.168 -18.167 1.00 0.00 C ATOM 777 O SER A 63 25.104 1.656 -19.106 1.00 0.00 O ATOM 778 CB SER A 63 25.528 -1.078 -19.303 1.00 0.00 C ATOM 779 OG SER A 63 25.582 -2.490 -19.126 1.00 0.00 O ATOM 0 H SER A 63 23.986 -0.918 -17.213 1.00 0.00 H new ATOM 0 HA SER A 63 26.868 -0.585 -17.710 1.00 0.00 H new ATOM 0 HB2 SER A 63 24.538 -0.789 -19.656 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.241 -0.776 -20.070 1.00 0.00 H new ATOM 0 HG SER A 63 25.377 -2.934 -19.975 1.00 0.00 H new ATOM 785 N CYS A 64 26.312 1.906 -17.221 1.00 0.00 N ATOM 786 CA CYS A 64 26.337 3.353 -17.285 1.00 0.00 C ATOM 787 C CYS A 64 27.639 3.901 -16.712 1.00 0.00 C ATOM 788 O CYS A 64 28.373 3.191 -16.018 1.00 0.00 O ATOM 789 CB CYS A 64 25.165 3.929 -16.520 1.00 0.00 C ATOM 790 SG CYS A 64 24.953 5.723 -16.730 1.00 0.00 S ATOM 0 H CYS A 64 26.769 1.515 -16.397 1.00 0.00 H new ATOM 0 HA CYS A 64 26.266 3.646 -18.333 1.00 0.00 H new ATOM 0 HB2 CYS A 64 24.253 3.426 -16.841 1.00 0.00 H new ATOM 0 HB3 CYS A 64 25.294 3.711 -15.460 1.00 0.00 H new ATOM 0 HG CYS A 64 24.067 6.157 -15.884 1.00 0.00 H new ATOM 795 N SER A 65 27.898 5.174 -16.978 1.00 0.00 N ATOM 796 CA SER A 65 29.103 5.846 -16.524 1.00 0.00 C ATOM 797 C SER A 65 29.172 5.915 -14.990 1.00 0.00 C ATOM 798 O SER A 65 30.257 5.929 -14.411 1.00 0.00 O ATOM 799 CB SER A 65 29.147 7.250 -17.116 1.00 0.00 C ATOM 800 OG SER A 65 28.890 7.214 -18.514 1.00 0.00 O ATOM 0 H SER A 65 27.272 5.771 -17.519 1.00 0.00 H new ATOM 0 HA SER A 65 29.965 5.272 -16.863 1.00 0.00 H new ATOM 0 HB2 SER A 65 28.409 7.882 -16.622 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.124 7.697 -16.932 1.00 0.00 H new ATOM 0 HG SER A 65 28.921 8.124 -18.876 1.00 0.00 H new ATOM 806 N CYS A 66 28.013 5.947 -14.339 1.00 0.00 N ATOM 807 CA CYS A 66 27.964 6.016 -12.882 1.00 0.00 C ATOM 808 C CYS A 66 27.874 4.614 -12.281 1.00 0.00 C ATOM 809 O CYS A 66 27.480 4.441 -11.126 1.00 0.00 O ATOM 810 CB CYS A 66 26.769 6.859 -12.427 1.00 0.00 C ATOM 811 SG CYS A 66 25.162 6.060 -12.629 1.00 0.00 S ATOM 0 H CYS A 66 27.100 5.926 -14.794 1.00 0.00 H new ATOM 0 HA CYS A 66 28.882 6.488 -12.531 1.00 0.00 H new ATOM 0 HB2 CYS A 66 26.902 7.116 -11.376 1.00 0.00 H new ATOM 0 HB3 CYS A 66 26.767 7.794 -12.986 1.00 0.00 H new ATOM 0 HG CYS A 66 24.225 6.859 -12.212 1.00 0.00 H new ATOM 816 N LYS A 67 28.245 3.619 -13.063 1.00 0.00 N ATOM 817 CA LYS A 67 28.188 2.234 -12.620 1.00 0.00 C ATOM 818 C LYS A 67 29.553 1.574 -12.716 1.00 0.00 C ATOM 819 O LYS A 67 30.298 1.617 -11.698 1.00 0.00 O ATOM 820 CB LYS A 67 27.173 1.460 -13.451 1.00 0.00 C ATOM 821 CG LYS A 67 25.754 1.991 -13.340 1.00 0.00 C ATOM 822 CD LYS A 67 25.195 1.798 -11.943 1.00 0.00 C ATOM 823 CE LYS A 67 23.747 2.250 -11.857 1.00 0.00 C ATOM 824 NZ LYS A 67 23.617 3.723 -11.952 1.00 0.00 N ATOM 0 H LYS A 67 28.592 3.742 -14.014 1.00 0.00 H new ATOM 0 HA LYS A 67 27.878 2.224 -11.575 1.00 0.00 H new ATOM 0 HB2 LYS A 67 27.479 1.485 -14.497 1.00 0.00 H new ATOM 0 HB3 LYS A 67 27.185 0.415 -13.141 1.00 0.00 H new ATOM 0 HG2 LYS A 67 25.740 3.051 -13.595 1.00 0.00 H new ATOM 0 HG3 LYS A 67 25.116 1.481 -14.062 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.267 0.747 -11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.796 2.360 -11.228 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.174 1.783 -12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.316 1.908 -10.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.627 3.995 -11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.223 4.172 -11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.909 4.037 -12.899 1.00 0.00 H new