USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 210 HIS HE2 : A 210 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 238 HIS HE2 : A 238 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 184 SER OG : rot 180:sc= -0.0258 USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 188 SER OG : rot 180:sc= 0 USER MOD Single : A 190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 THR OG1 : rot 47:sc= 0.0205 USER MOD Single : A 193 GLN : amide:sc= -0.0787 K(o=-0.079,f=-2.4!) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 180:sc= 0 USER MOD Single : A 199 THR OG1 : rot 14:sc= 0.417! USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot 180:sc= -0.0502 USER MOD Single : A 208 GLN : amide:sc=-0.00269 X(o=-0.0027,f=-0.38) USER MOD Single : A 209 SER OG : rot -23:sc= 0.69 USER MOD Single : A 211 GLN : amide:sc= -0.107 K(o=-0.11,f=-2.7!) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= -0.194 K(o=-0.19,f=-2.5!) USER MOD Single : A 223 ASN : amide:sc= 0.233 K(o=0.23,f=-1.1) USER MOD Single : A 224 GLN : amide:sc= -0.775 K(o=-0.78,f=-0.19) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0864) USER MOD Single : A 242 SER OG : rot -160:sc= -0.723 USER MOD Single : A 244 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 183 -22.709 -3.740 -3.158 1.00 0.00 N ATOM 2 CA GLY A 183 -23.409 -3.811 -1.888 1.00 0.00 C ATOM 3 C GLY A 183 -23.757 -5.233 -1.497 1.00 0.00 C ATOM 4 O GLY A 183 -23.329 -6.186 -2.148 1.00 0.00 O ATOM 0 HA2 GLY A 183 -22.790 -3.365 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -24.323 -3.220 -1.947 1.00 0.00 H new ATOM 8 N SER A 184 -24.535 -5.378 -0.429 1.00 0.00 N ATOM 9 CA SER A 184 -24.936 -6.695 0.052 1.00 0.00 C ATOM 10 C SER A 184 -26.247 -6.613 0.829 1.00 0.00 C ATOM 11 O SER A 184 -26.685 -5.530 1.216 1.00 0.00 O ATOM 12 CB SER A 184 -23.842 -7.293 0.938 1.00 0.00 C ATOM 13 OG SER A 184 -22.658 -7.529 0.196 1.00 0.00 O ATOM 0 H SER A 184 -24.900 -4.600 0.120 1.00 0.00 H new ATOM 0 HA SER A 184 -25.086 -7.341 -0.813 1.00 0.00 H new ATOM 0 HB2 SER A 184 -23.628 -6.615 1.765 1.00 0.00 H new ATOM 0 HB3 SER A 184 -24.194 -8.228 1.375 1.00 0.00 H new ATOM 0 HG SER A 184 -21.973 -7.910 0.785 1.00 0.00 H new ATOM 19 N SER A 185 -26.868 -7.767 1.052 1.00 0.00 N ATOM 20 CA SER A 185 -28.130 -7.828 1.779 1.00 0.00 C ATOM 21 C SER A 185 -27.947 -8.510 3.131 1.00 0.00 C ATOM 22 O SER A 185 -28.339 -7.975 4.167 1.00 0.00 O ATOM 23 CB SER A 185 -29.181 -8.576 0.956 1.00 0.00 C ATOM 24 OG SER A 185 -30.479 -8.383 1.492 1.00 0.00 O ATOM 0 H SER A 185 -26.517 -8.672 0.739 1.00 0.00 H new ATOM 0 HA SER A 185 -28.471 -6.807 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 185 -29.155 -8.228 -0.077 1.00 0.00 H new ATOM 0 HB3 SER A 185 -28.945 -9.640 0.940 1.00 0.00 H new ATOM 0 HG SER A 185 -31.133 -8.869 0.948 1.00 0.00 H new ATOM 30 N GLY A 186 -27.347 -9.696 3.112 1.00 0.00 N ATOM 31 CA GLY A 186 -27.121 -10.433 4.342 1.00 0.00 C ATOM 32 C GLY A 186 -27.244 -11.932 4.150 1.00 0.00 C ATOM 33 O GLY A 186 -26.422 -12.698 4.653 1.00 0.00 O ATOM 0 H GLY A 186 -27.013 -10.160 2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 186 -26.128 -10.199 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 186 -27.838 -10.106 5.095 1.00 0.00 H new ATOM 37 N SER A 187 -28.274 -12.351 3.422 1.00 0.00 N ATOM 38 CA SER A 187 -28.505 -13.769 3.170 1.00 0.00 C ATOM 39 C SER A 187 -27.488 -14.316 2.173 1.00 0.00 C ATOM 40 O SER A 187 -27.427 -13.874 1.026 1.00 0.00 O ATOM 41 CB SER A 187 -29.924 -13.990 2.642 1.00 0.00 C ATOM 42 OG SER A 187 -30.892 -13.586 3.596 1.00 0.00 O ATOM 0 H SER A 187 -28.962 -11.729 2.996 1.00 0.00 H new ATOM 0 HA SER A 187 -28.388 -14.304 4.112 1.00 0.00 H new ATOM 0 HB2 SER A 187 -30.063 -13.429 1.718 1.00 0.00 H new ATOM 0 HB3 SER A 187 -30.065 -15.043 2.400 1.00 0.00 H new ATOM 0 HG SER A 187 -31.790 -13.736 3.234 1.00 0.00 H new ATOM 48 N SER A 188 -26.692 -15.282 2.620 1.00 0.00 N ATOM 49 CA SER A 188 -25.674 -15.888 1.770 1.00 0.00 C ATOM 50 C SER A 188 -24.758 -14.823 1.174 1.00 0.00 C ATOM 51 O SER A 188 -24.387 -14.891 0.003 1.00 0.00 O ATOM 52 CB SER A 188 -26.331 -16.696 0.649 1.00 0.00 C ATOM 53 OG SER A 188 -27.263 -17.627 1.171 1.00 0.00 O ATOM 0 H SER A 188 -26.732 -15.662 3.566 1.00 0.00 H new ATOM 0 HA SER A 188 -25.072 -16.556 2.386 1.00 0.00 H new ATOM 0 HB2 SER A 188 -26.835 -16.021 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 188 -25.566 -17.223 0.080 1.00 0.00 H new ATOM 0 HG SER A 188 -27.670 -18.130 0.435 1.00 0.00 H new ATOM 59 N GLY A 189 -24.398 -13.837 1.991 1.00 0.00 N ATOM 60 CA GLY A 189 -23.530 -12.771 1.528 1.00 0.00 C ATOM 61 C GLY A 189 -22.072 -13.029 1.852 1.00 0.00 C ATOM 62 O GLY A 189 -21.753 -13.887 2.675 1.00 0.00 O ATOM 0 H GLY A 189 -24.692 -13.758 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -23.645 -12.656 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -23.840 -11.831 1.984 1.00 0.00 H new ATOM 66 N LYS A 190 -21.182 -12.286 1.203 1.00 0.00 N ATOM 67 CA LYS A 190 -19.749 -12.438 1.425 1.00 0.00 C ATOM 68 C LYS A 190 -19.354 -11.920 2.804 1.00 0.00 C ATOM 69 O LYS A 190 -19.795 -10.851 3.226 1.00 0.00 O ATOM 70 CB LYS A 190 -18.963 -11.692 0.344 1.00 0.00 C ATOM 71 CG LYS A 190 -19.167 -12.253 -1.053 1.00 0.00 C ATOM 72 CD LYS A 190 -18.896 -11.205 -2.119 1.00 0.00 C ATOM 73 CE LYS A 190 -18.905 -11.813 -3.513 1.00 0.00 C ATOM 74 NZ LYS A 190 -20.289 -12.059 -4.003 1.00 0.00 N ATOM 0 H LYS A 190 -21.428 -11.572 0.518 1.00 0.00 H new ATOM 0 HA LYS A 190 -19.509 -13.500 1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 190 -19.257 -10.643 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 190 -17.901 -11.727 0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 190 -18.506 -13.106 -1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 190 -20.189 -12.620 -1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 190 -19.649 -10.420 -2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 190 -17.930 -10.735 -1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 190 -18.389 -11.146 -4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 190 -18.351 -12.752 -3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 190 -20.251 -12.474 -4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 190 -20.774 -12.716 -3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 190 -20.810 -11.160 -4.037 1.00 0.00 H new ATOM 88 N ARG A 191 -18.520 -12.685 3.502 1.00 0.00 N ATOM 89 CA ARG A 191 -18.066 -12.303 4.833 1.00 0.00 C ATOM 90 C ARG A 191 -16.954 -11.262 4.750 1.00 0.00 C ATOM 91 O ARG A 191 -16.244 -11.173 3.748 1.00 0.00 O ATOM 92 CB ARG A 191 -17.573 -13.532 5.599 1.00 0.00 C ATOM 93 CG ARG A 191 -18.668 -14.542 5.900 1.00 0.00 C ATOM 94 CD ARG A 191 -18.090 -15.913 6.214 1.00 0.00 C ATOM 95 NE ARG A 191 -17.815 -16.077 7.639 1.00 0.00 N ATOM 96 CZ ARG A 191 -16.708 -15.640 8.229 1.00 0.00 C ATOM 97 NH1 ARG A 191 -15.778 -15.016 7.521 1.00 0.00 N ATOM 98 NH2 ARG A 191 -16.530 -15.827 9.531 1.00 0.00 N ATOM 0 H ARG A 191 -18.145 -13.573 3.167 1.00 0.00 H new ATOM 0 HA ARG A 191 -18.910 -11.866 5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -16.789 -14.020 5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -17.121 -13.208 6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -19.263 -14.195 6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -19.341 -14.616 5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -18.788 -16.684 5.888 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -17.170 -16.057 5.648 1.00 0.00 H new ATOM 0 HE ARG A 191 -18.511 -16.553 8.213 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -15.911 -14.870 6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -14.929 -14.681 7.977 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -17.244 -16.307 10.080 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -15.680 -15.491 9.983 1.00 0.00 H new ATOM 112 N THR A 192 -16.807 -10.474 5.811 1.00 0.00 N ATOM 113 CA THR A 192 -15.783 -9.438 5.858 1.00 0.00 C ATOM 114 C THR A 192 -14.979 -9.518 7.150 1.00 0.00 C ATOM 115 O THR A 192 -15.545 -9.577 8.241 1.00 0.00 O ATOM 116 CB THR A 192 -16.401 -8.032 5.738 1.00 0.00 C ATOM 117 OG1 THR A 192 -17.487 -7.893 6.661 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.895 -7.777 4.322 1.00 0.00 C ATOM 0 H THR A 192 -17.385 -10.534 6.649 1.00 0.00 H new ATOM 0 HA THR A 192 -15.120 -9.610 5.010 1.00 0.00 H new ATOM 0 HB THR A 192 -15.630 -7.299 5.974 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.214 -8.230 7.540 1.00 0.00 H new ATOM 0 HG21 THR A 192 -17.327 -6.778 4.262 1.00 0.00 H new ATOM 0 HG22 THR A 192 -16.060 -7.854 3.626 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.653 -8.516 4.062 1.00 0.00 H new ATOM 126 N GLN A 193 -13.656 -9.520 7.019 1.00 0.00 N ATOM 127 CA GLN A 193 -12.774 -9.594 8.178 1.00 0.00 C ATOM 128 C GLN A 193 -11.917 -8.337 8.290 1.00 0.00 C ATOM 129 O GLN A 193 -11.085 -8.044 7.431 1.00 0.00 O ATOM 130 CB GLN A 193 -11.878 -10.830 8.085 1.00 0.00 C ATOM 131 CG GLN A 193 -11.435 -11.363 9.438 1.00 0.00 C ATOM 132 CD GLN A 193 -12.485 -12.238 10.093 1.00 0.00 C ATOM 133 OE1 GLN A 193 -13.629 -11.822 10.278 1.00 0.00 O ATOM 134 NE2 GLN A 193 -12.101 -13.459 10.447 1.00 0.00 N ATOM 0 H GLN A 193 -13.172 -9.471 6.123 1.00 0.00 H new ATOM 0 HA GLN A 193 -13.394 -9.670 9.071 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -12.412 -11.616 7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -10.996 -10.585 7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -10.516 -11.935 9.315 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -11.204 -10.525 10.096 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -11.143 -13.762 10.275 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -12.765 -14.094 10.891 1.00 0.00 H new ATOM 143 N PRO A 194 -12.123 -7.575 9.374 1.00 0.00 N ATOM 144 CA PRO A 194 -11.379 -6.337 9.625 1.00 0.00 C ATOM 145 C PRO A 194 -9.917 -6.599 9.967 1.00 0.00 C ATOM 146 O PRO A 194 -9.602 -7.111 11.042 1.00 0.00 O ATOM 147 CB PRO A 194 -12.107 -5.722 10.823 1.00 0.00 C ATOM 148 CG PRO A 194 -12.738 -6.879 11.518 1.00 0.00 C ATOM 149 CD PRO A 194 -13.099 -7.862 10.439 1.00 0.00 C ATOM 0 HA PRO A 194 -11.354 -5.691 8.747 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -11.414 -5.196 11.480 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -12.855 -4.997 10.502 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -12.051 -7.324 12.238 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -13.622 -6.566 12.073 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -13.019 -8.891 10.790 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -14.123 -7.721 10.094 1.00 0.00 H new ATOM 157 N CYS A 195 -9.026 -6.244 9.047 1.00 0.00 N ATOM 158 CA CYS A 195 -7.596 -6.441 9.251 1.00 0.00 C ATOM 159 C CYS A 195 -7.143 -5.815 10.567 1.00 0.00 C ATOM 160 O CYS A 195 -7.329 -4.620 10.796 1.00 0.00 O ATOM 161 CB CYS A 195 -6.806 -5.837 8.088 1.00 0.00 C ATOM 162 SG CYS A 195 -5.096 -6.451 7.951 1.00 0.00 S ATOM 0 H CYS A 195 -9.269 -5.818 8.153 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.405 -7.513 9.294 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.332 -6.048 7.157 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -6.783 -4.753 8.202 1.00 0.00 H new ATOM 167 N THR A 196 -6.545 -6.632 11.429 1.00 0.00 N ATOM 168 CA THR A 196 -6.066 -6.160 12.722 1.00 0.00 C ATOM 169 C THR A 196 -4.789 -5.341 12.570 1.00 0.00 C ATOM 170 O THR A 196 -4.189 -4.920 13.559 1.00 0.00 O ATOM 171 CB THR A 196 -5.799 -7.333 13.684 1.00 0.00 C ATOM 172 OG1 THR A 196 -6.967 -8.153 13.793 1.00 0.00 O ATOM 173 CG2 THR A 196 -5.402 -6.823 15.061 1.00 0.00 C ATOM 0 H THR A 196 -6.381 -7.624 11.255 1.00 0.00 H new ATOM 0 HA THR A 196 -6.851 -5.529 13.139 1.00 0.00 H new ATOM 0 HB THR A 196 -4.977 -7.924 13.281 1.00 0.00 H new ATOM 0 HG1 THR A 196 -6.788 -8.897 14.405 1.00 0.00 H new ATOM 0 HG21 THR A 196 -5.218 -7.669 15.723 1.00 0.00 H new ATOM 0 HG22 THR A 196 -4.496 -6.223 14.979 1.00 0.00 H new ATOM 0 HG23 THR A 196 -6.207 -6.211 15.468 1.00 0.00 H new ATOM 181 N TYR A 197 -4.379 -5.119 11.326 1.00 0.00 N ATOM 182 CA TYR A 197 -3.172 -4.352 11.045 1.00 0.00 C ATOM 183 C TYR A 197 -3.519 -2.947 10.561 1.00 0.00 C ATOM 184 O TYR A 197 -3.136 -1.953 11.179 1.00 0.00 O ATOM 185 CB TYR A 197 -2.320 -5.068 9.995 1.00 0.00 C ATOM 186 CG TYR A 197 -1.808 -6.417 10.449 1.00 0.00 C ATOM 187 CD1 TYR A 197 -2.686 -7.420 10.838 1.00 0.00 C ATOM 188 CD2 TYR A 197 -0.446 -6.687 10.489 1.00 0.00 C ATOM 189 CE1 TYR A 197 -2.223 -8.653 11.254 1.00 0.00 C ATOM 190 CE2 TYR A 197 0.027 -7.918 10.902 1.00 0.00 C ATOM 191 CZ TYR A 197 -0.866 -8.898 11.284 1.00 0.00 C ATOM 192 OH TYR A 197 -0.400 -10.125 11.697 1.00 0.00 O ATOM 0 H TYR A 197 -4.865 -5.460 10.496 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.603 -4.268 11.971 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.910 -5.199 9.088 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.471 -4.435 9.735 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -3.749 -7.233 10.815 1.00 0.00 H new ATOM 0 HD2 TYR A 197 0.256 -5.921 10.192 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -2.920 -9.421 11.554 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.089 -8.112 10.926 1.00 0.00 H new ATOM 0 HH TYR A 197 0.579 -10.133 11.658 1.00 0.00 H new ATOM 202 N CYS A 198 -4.247 -2.873 9.453 1.00 0.00 N ATOM 203 CA CYS A 198 -4.648 -1.592 8.884 1.00 0.00 C ATOM 204 C CYS A 198 -6.037 -1.191 9.372 1.00 0.00 C ATOM 205 O CYS A 198 -6.616 -0.213 8.899 1.00 0.00 O ATOM 206 CB CYS A 198 -4.632 -1.661 7.356 1.00 0.00 C ATOM 207 SG CYS A 198 -5.669 -2.988 6.661 1.00 0.00 S ATOM 0 H CYS A 198 -4.572 -3.686 8.930 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.934 -0.837 9.214 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.968 -0.704 6.956 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.605 -1.803 7.020 1.00 0.00 H new ATOM 212 N THR A 199 -6.568 -1.954 10.323 1.00 0.00 N ATOM 213 CA THR A 199 -7.888 -1.680 10.875 1.00 0.00 C ATOM 214 C THR A 199 -8.871 -1.284 9.779 1.00 0.00 C ATOM 215 O THR A 199 -9.609 -0.309 9.915 1.00 0.00 O ATOM 216 CB THR A 199 -7.835 -0.559 11.930 1.00 0.00 C ATOM 217 OG1 THR A 199 -7.194 0.598 11.383 1.00 0.00 O ATOM 218 CG2 THR A 199 -7.086 -1.020 13.172 1.00 0.00 C ATOM 0 H THR A 199 -6.103 -2.767 10.727 1.00 0.00 H new ATOM 0 HA THR A 199 -8.228 -2.600 11.350 1.00 0.00 H new ATOM 0 HB THR A 199 -8.857 -0.308 12.213 1.00 0.00 H new ATOM 0 HG1 THR A 199 -7.131 0.507 10.409 1.00 0.00 H new ATOM 0 HG21 THR A 199 -7.061 -0.212 13.903 1.00 0.00 H new ATOM 0 HG22 THR A 199 -7.593 -1.884 13.603 1.00 0.00 H new ATOM 0 HG23 THR A 199 -6.067 -1.295 12.901 1.00 0.00 H new ATOM 226 N LYS A 200 -8.876 -2.048 8.691 1.00 0.00 N ATOM 227 CA LYS A 200 -9.770 -1.778 7.571 1.00 0.00 C ATOM 228 C LYS A 200 -10.686 -2.969 7.308 1.00 0.00 C ATOM 229 O LYS A 200 -10.353 -4.105 7.642 1.00 0.00 O ATOM 230 CB LYS A 200 -8.961 -1.457 6.312 1.00 0.00 C ATOM 231 CG LYS A 200 -8.524 -0.004 6.225 1.00 0.00 C ATOM 232 CD LYS A 200 -9.558 0.847 5.508 1.00 0.00 C ATOM 233 CE LYS A 200 -9.545 2.282 6.012 1.00 0.00 C ATOM 234 NZ LYS A 200 -8.380 3.044 5.486 1.00 0.00 N ATOM 0 H LYS A 200 -8.271 -2.859 8.561 1.00 0.00 H new ATOM 0 HA LYS A 200 -10.386 -0.917 7.829 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -8.078 -2.096 6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.559 -1.701 5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -8.361 0.389 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -7.571 0.060 5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -9.361 0.835 4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -10.549 0.418 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -10.468 2.779 5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -9.518 2.284 7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -8.407 4.017 5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -7.498 2.584 5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -8.419 3.064 4.447 1.00 0.00 H new ATOM 248 N GLU A 201 -11.841 -2.700 6.706 1.00 0.00 N ATOM 249 CA GLU A 201 -12.804 -3.750 6.399 1.00 0.00 C ATOM 250 C GLU A 201 -12.530 -4.354 5.024 1.00 0.00 C ATOM 251 O GLU A 201 -12.649 -3.678 4.002 1.00 0.00 O ATOM 252 CB GLU A 201 -14.230 -3.196 6.450 1.00 0.00 C ATOM 253 CG GLU A 201 -14.573 -2.520 7.766 1.00 0.00 C ATOM 254 CD GLU A 201 -16.068 -2.366 7.971 1.00 0.00 C ATOM 255 OE1 GLU A 201 -16.721 -1.731 7.116 1.00 0.00 O ATOM 256 OE2 GLU A 201 -16.585 -2.880 8.984 1.00 0.00 O ATOM 0 H GLU A 201 -12.132 -1.764 6.422 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.700 -4.534 7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -14.362 -2.481 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.934 -4.010 6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -14.155 -3.101 8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -14.102 -1.537 7.799 1.00 0.00 H new ATOM 263 N PHE A 202 -12.163 -5.631 5.008 1.00 0.00 N ATOM 264 CA PHE A 202 -11.870 -6.326 3.760 1.00 0.00 C ATOM 265 C PHE A 202 -12.509 -7.712 3.747 1.00 0.00 C ATOM 266 O PHE A 202 -12.603 -8.375 4.780 1.00 0.00 O ATOM 267 CB PHE A 202 -10.358 -6.448 3.562 1.00 0.00 C ATOM 268 CG PHE A 202 -9.695 -5.152 3.194 1.00 0.00 C ATOM 269 CD1 PHE A 202 -9.920 -4.570 1.956 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.847 -4.514 4.085 1.00 0.00 C ATOM 271 CE1 PHE A 202 -9.311 -3.378 1.614 1.00 0.00 C ATOM 272 CE2 PHE A 202 -8.235 -3.321 3.749 1.00 0.00 C ATOM 273 CZ PHE A 202 -8.468 -2.752 2.512 1.00 0.00 C ATOM 0 H PHE A 202 -12.061 -6.205 5.845 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.291 -5.743 2.941 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -9.909 -6.829 4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.160 -7.183 2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -10.579 -5.054 1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.662 -4.954 5.054 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -9.494 -2.936 0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.576 -2.834 4.453 1.00 0.00 H new ATOM 0 HZ PHE A 202 -7.992 -1.819 2.247 1.00 0.00 H new ATOM 283 N VAL A 203 -12.949 -8.143 2.569 1.00 0.00 N ATOM 284 CA VAL A 203 -13.579 -9.449 2.419 1.00 0.00 C ATOM 285 C VAL A 203 -12.758 -10.537 3.102 1.00 0.00 C ATOM 286 O VAL A 203 -11.532 -10.446 3.183 1.00 0.00 O ATOM 287 CB VAL A 203 -13.765 -9.816 0.935 1.00 0.00 C ATOM 288 CG1 VAL A 203 -14.871 -10.848 0.774 1.00 0.00 C ATOM 289 CG2 VAL A 203 -14.061 -8.571 0.112 1.00 0.00 C ATOM 0 H VAL A 203 -12.881 -7.606 1.704 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.558 -9.384 2.894 1.00 0.00 H new ATOM 0 HB VAL A 203 -12.837 -10.254 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -14.988 -11.095 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -14.612 -11.749 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -15.807 -10.441 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -14.190 -8.849 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -14.974 -8.102 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -13.231 -7.870 0.202 1.00 0.00 H new ATOM 299 N PHE A 204 -13.440 -11.567 3.591 1.00 0.00 N ATOM 300 CA PHE A 204 -12.773 -12.674 4.267 1.00 0.00 C ATOM 301 C PHE A 204 -11.951 -13.498 3.281 1.00 0.00 C ATOM 302 O PHE A 204 -10.943 -14.101 3.649 1.00 0.00 O ATOM 303 CB PHE A 204 -13.802 -13.567 4.963 1.00 0.00 C ATOM 304 CG PHE A 204 -14.263 -14.720 4.118 1.00 0.00 C ATOM 305 CD1 PHE A 204 -15.342 -14.580 3.260 1.00 0.00 C ATOM 306 CD2 PHE A 204 -13.618 -15.945 4.183 1.00 0.00 C ATOM 307 CE1 PHE A 204 -15.769 -15.639 2.481 1.00 0.00 C ATOM 308 CE2 PHE A 204 -14.040 -17.008 3.406 1.00 0.00 C ATOM 309 CZ PHE A 204 -15.118 -16.855 2.555 1.00 0.00 C ATOM 0 H PHE A 204 -14.454 -11.658 3.532 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.098 -12.257 5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -13.371 -13.953 5.887 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -14.666 -12.963 5.242 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -15.856 -13.632 3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -12.776 -16.071 4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -16.611 -15.516 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -13.528 -17.957 3.464 1.00 0.00 H new ATOM 0 HZ PHE A 204 -15.451 -17.685 1.949 1.00 0.00 H new ATOM 319 N ASP A 205 -12.390 -13.519 2.027 1.00 0.00 N ATOM 320 CA ASP A 205 -11.695 -14.268 0.987 1.00 0.00 C ATOM 321 C ASP A 205 -10.414 -13.554 0.566 1.00 0.00 C ATOM 322 O ASP A 205 -9.402 -14.192 0.275 1.00 0.00 O ATOM 323 CB ASP A 205 -12.607 -14.464 -0.226 1.00 0.00 C ATOM 324 CG ASP A 205 -11.866 -15.029 -1.422 1.00 0.00 C ATOM 325 OD1 ASP A 205 -11.767 -16.269 -1.527 1.00 0.00 O ATOM 326 OD2 ASP A 205 -11.386 -14.230 -2.253 1.00 0.00 O ATOM 0 H ASP A 205 -13.224 -13.026 1.707 1.00 0.00 H new ATOM 0 HA ASP A 205 -11.429 -15.244 1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -13.424 -15.134 0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.055 -13.508 -0.498 1.00 0.00 H new ATOM 331 N THR A 206 -10.466 -12.226 0.535 1.00 0.00 N ATOM 332 CA THR A 206 -9.311 -11.425 0.148 1.00 0.00 C ATOM 333 C THR A 206 -8.361 -11.226 1.323 1.00 0.00 C ATOM 334 O THR A 206 -7.145 -11.356 1.179 1.00 0.00 O ATOM 335 CB THR A 206 -9.739 -10.047 -0.392 1.00 0.00 C ATOM 336 OG1 THR A 206 -10.378 -9.292 0.644 1.00 0.00 O ATOM 337 CG2 THR A 206 -10.686 -10.198 -1.573 1.00 0.00 C ATOM 0 H THR A 206 -11.296 -11.682 0.773 1.00 0.00 H new ATOM 0 HA THR A 206 -8.797 -11.973 -0.642 1.00 0.00 H new ATOM 0 HB THR A 206 -8.846 -9.520 -0.728 1.00 0.00 H new ATOM 0 HG1 THR A 206 -10.646 -8.417 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 206 -10.974 -9.212 -1.937 1.00 0.00 H new ATOM 0 HG22 THR A 206 -10.187 -10.748 -2.371 1.00 0.00 H new ATOM 0 HG23 THR A 206 -11.576 -10.743 -1.258 1.00 0.00 H new ATOM 345 N ILE A 207 -8.923 -10.910 2.485 1.00 0.00 N ATOM 346 CA ILE A 207 -8.125 -10.695 3.685 1.00 0.00 C ATOM 347 C ILE A 207 -6.898 -11.600 3.699 1.00 0.00 C ATOM 348 O ILE A 207 -5.838 -11.216 4.192 1.00 0.00 O ATOM 349 CB ILE A 207 -8.949 -10.947 4.962 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.244 -10.342 6.178 1.00 0.00 C ATOM 351 CG2 ILE A 207 -9.174 -12.438 5.161 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.526 -8.867 6.368 1.00 0.00 C ATOM 0 H ILE A 207 -9.928 -10.797 2.620 1.00 0.00 H new ATOM 0 HA ILE A 207 -7.805 -9.653 3.668 1.00 0.00 H new ATOM 0 HB ILE A 207 -9.920 -10.464 4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -8.554 -10.881 7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.169 -10.488 6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -9.758 -12.600 6.067 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -9.714 -12.842 4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -8.212 -12.942 5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -7.994 -8.505 7.248 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -8.190 -8.316 5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.597 -8.716 6.504 1.00 0.00 H new ATOM 364 N GLN A 208 -7.050 -12.802 3.152 1.00 0.00 N ATOM 365 CA GLN A 208 -5.953 -13.761 3.101 1.00 0.00 C ATOM 366 C GLN A 208 -4.832 -13.258 2.197 1.00 0.00 C ATOM 367 O GLN A 208 -3.665 -13.244 2.589 1.00 0.00 O ATOM 368 CB GLN A 208 -6.456 -15.117 2.603 1.00 0.00 C ATOM 369 CG GLN A 208 -7.258 -15.887 3.640 1.00 0.00 C ATOM 370 CD GLN A 208 -7.162 -17.388 3.455 1.00 0.00 C ATOM 371 OE1 GLN A 208 -6.960 -17.877 2.343 1.00 0.00 O ATOM 372 NE2 GLN A 208 -7.307 -18.130 4.547 1.00 0.00 N ATOM 0 H GLN A 208 -7.921 -13.134 2.738 1.00 0.00 H new ATOM 0 HA GLN A 208 -5.557 -13.876 4.110 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -7.074 -14.963 1.719 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -5.603 -15.721 2.294 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -6.903 -15.624 4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -8.303 -15.584 3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -7.473 -17.683 5.449 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -7.252 -19.147 4.484 1.00 0.00 H new ATOM 381 N SER A 209 -5.194 -12.847 0.987 1.00 0.00 N ATOM 382 CA SER A 209 -4.218 -12.347 0.025 1.00 0.00 C ATOM 383 C SER A 209 -3.738 -10.952 0.414 1.00 0.00 C ATOM 384 O SER A 209 -2.553 -10.637 0.303 1.00 0.00 O ATOM 385 CB SER A 209 -4.823 -12.317 -1.379 1.00 0.00 C ATOM 386 OG SER A 209 -5.985 -11.508 -1.417 1.00 0.00 O ATOM 0 H SER A 209 -6.156 -12.850 0.649 1.00 0.00 H new ATOM 0 HA SER A 209 -3.362 -13.022 0.029 1.00 0.00 H new ATOM 0 HB2 SER A 209 -4.087 -11.936 -2.087 1.00 0.00 H new ATOM 0 HB3 SER A 209 -5.072 -13.331 -1.693 1.00 0.00 H new ATOM 0 HG SER A 209 -6.362 -11.435 -0.515 1.00 0.00 H new ATOM 392 N HIS A 210 -4.668 -10.119 0.871 1.00 0.00 N ATOM 393 CA HIS A 210 -4.341 -8.757 1.277 1.00 0.00 C ATOM 394 C HIS A 210 -3.296 -8.757 2.389 1.00 0.00 C ATOM 395 O HIS A 210 -2.288 -8.056 2.305 1.00 0.00 O ATOM 396 CB HIS A 210 -5.600 -8.026 1.745 1.00 0.00 C ATOM 397 CG HIS A 210 -5.328 -6.945 2.746 1.00 0.00 C ATOM 398 ND1 HIS A 210 -4.988 -5.657 2.390 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.349 -6.967 4.100 1.00 0.00 C ATOM 400 CE1 HIS A 210 -4.810 -4.934 3.481 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.024 -5.705 4.532 1.00 0.00 N ATOM 0 H HIS A 210 -5.653 -10.363 0.969 1.00 0.00 H new ATOM 0 HA HIS A 210 -3.927 -8.237 0.413 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.100 -7.591 0.880 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.289 -8.749 2.182 1.00 0.00 H new ATOM 0 HD1 HIS A 210 -4.889 -5.316 1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.579 -7.818 4.724 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.536 -3.890 3.509 1.00 0.00 H new ATOM 409 N GLN A 211 -3.545 -9.548 3.428 1.00 0.00 N ATOM 410 CA GLN A 211 -2.625 -9.637 4.556 1.00 0.00 C ATOM 411 C GLN A 211 -1.180 -9.485 4.094 1.00 0.00 C ATOM 412 O GLN A 211 -0.356 -8.885 4.786 1.00 0.00 O ATOM 413 CB GLN A 211 -2.803 -10.972 5.281 1.00 0.00 C ATOM 414 CG GLN A 211 -3.893 -10.948 6.341 1.00 0.00 C ATOM 415 CD GLN A 211 -3.424 -10.339 7.647 1.00 0.00 C ATOM 416 OE1 GLN A 211 -2.749 -9.309 7.658 1.00 0.00 O ATOM 417 NE2 GLN A 211 -3.779 -10.973 8.759 1.00 0.00 N ATOM 0 H GLN A 211 -4.375 -10.135 3.512 1.00 0.00 H new ATOM 0 HA GLN A 211 -2.854 -8.823 5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -3.036 -11.745 4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -1.859 -11.251 5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -4.746 -10.382 5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.240 -11.965 6.523 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.339 -11.824 8.704 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -3.492 -10.609 9.667 1.00 0.00 H new ATOM 426 N TYR A 212 -0.878 -10.031 2.921 1.00 0.00 N ATOM 427 CA TYR A 212 0.469 -9.958 2.368 1.00 0.00 C ATOM 428 C TYR A 212 0.796 -8.538 1.917 1.00 0.00 C ATOM 429 O TYR A 212 1.846 -7.994 2.259 1.00 0.00 O ATOM 430 CB TYR A 212 0.612 -10.925 1.191 1.00 0.00 C ATOM 431 CG TYR A 212 0.736 -12.373 1.609 1.00 0.00 C ATOM 432 CD1 TYR A 212 -0.356 -13.068 2.112 1.00 0.00 C ATOM 433 CD2 TYR A 212 1.947 -13.046 1.499 1.00 0.00 C ATOM 434 CE1 TYR A 212 -0.247 -14.390 2.495 1.00 0.00 C ATOM 435 CE2 TYR A 212 2.065 -14.369 1.878 1.00 0.00 C ATOM 436 CZ TYR A 212 0.966 -15.037 2.376 1.00 0.00 C ATOM 437 OH TYR A 212 1.079 -16.355 2.755 1.00 0.00 O ATOM 0 H TYR A 212 -1.548 -10.529 2.335 1.00 0.00 H new ATOM 0 HA TYR A 212 1.172 -10.242 3.151 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.253 -10.817 0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 212 1.490 -10.647 0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -1.307 -12.565 2.205 1.00 0.00 H new ATOM 0 HD2 TYR A 212 2.810 -12.526 1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -1.106 -14.915 2.886 1.00 0.00 H new ATOM 0 HE2 TYR A 212 3.013 -14.878 1.785 1.00 0.00 H new ATOM 0 HH TYR A 212 1.998 -16.661 2.606 1.00 0.00 H new ATOM 447 N GLN A 213 -0.111 -7.944 1.148 1.00 0.00 N ATOM 448 CA GLN A 213 0.081 -6.587 0.650 1.00 0.00 C ATOM 449 C GLN A 213 0.097 -5.583 1.798 1.00 0.00 C ATOM 450 O GLN A 213 0.922 -4.669 1.826 1.00 0.00 O ATOM 451 CB GLN A 213 -1.023 -6.226 -0.344 1.00 0.00 C ATOM 452 CG GLN A 213 -1.007 -7.074 -1.606 1.00 0.00 C ATOM 453 CD GLN A 213 -2.370 -7.167 -2.264 1.00 0.00 C ATOM 454 OE1 GLN A 213 -3.391 -6.853 -1.651 1.00 0.00 O ATOM 455 NE2 GLN A 213 -2.393 -7.599 -3.519 1.00 0.00 N ATOM 0 H GLN A 213 -0.985 -8.381 0.856 1.00 0.00 H new ATOM 0 HA GLN A 213 1.045 -6.546 0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -1.991 -6.336 0.145 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -0.923 -5.176 -0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -0.294 -6.652 -2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -0.657 -8.077 -1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -1.523 -7.848 -3.989 1.00 0.00 H new ATOM 0 HE22 GLN A 213 -3.281 -7.682 -4.014 1.00 0.00 H new ATOM 464 N CYS A 214 -0.820 -5.759 2.744 1.00 0.00 N ATOM 465 CA CYS A 214 -0.913 -4.868 3.894 1.00 0.00 C ATOM 466 C CYS A 214 0.468 -4.370 4.310 1.00 0.00 C ATOM 467 O CYS A 214 1.378 -5.151 4.590 1.00 0.00 O ATOM 468 CB CYS A 214 -1.583 -5.585 5.068 1.00 0.00 C ATOM 469 SG CYS A 214 -2.204 -4.467 6.365 1.00 0.00 S ATOM 0 H CYS A 214 -1.509 -6.511 2.736 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.519 -4.008 3.608 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.413 -6.182 4.690 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.869 -6.278 5.512 1.00 0.00 H new ATOM 474 N PRO A 215 0.630 -3.039 4.351 1.00 0.00 N ATOM 475 CA PRO A 215 1.897 -2.407 4.732 1.00 0.00 C ATOM 476 C PRO A 215 2.213 -2.590 6.213 1.00 0.00 C ATOM 477 O PRO A 215 3.318 -2.994 6.575 1.00 0.00 O ATOM 478 CB PRO A 215 1.665 -0.928 4.414 1.00 0.00 C ATOM 479 CG PRO A 215 0.188 -0.750 4.494 1.00 0.00 C ATOM 480 CD PRO A 215 -0.411 -2.049 4.030 1.00 0.00 C ATOM 0 HA PRO A 215 2.745 -2.843 4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.180 -0.284 5.127 1.00 0.00 H new ATOM 0 HB3 PRO A 215 2.041 -0.672 3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.123 -0.519 5.513 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -0.140 0.078 3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.346 -2.267 4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.633 -2.031 2.963 1.00 0.00 H new ATOM 488 N ARG A 216 1.237 -2.290 7.063 1.00 0.00 N ATOM 489 CA ARG A 216 1.413 -2.421 8.505 1.00 0.00 C ATOM 490 C ARG A 216 2.165 -3.704 8.846 1.00 0.00 C ATOM 491 O ARG A 216 2.992 -3.728 9.759 1.00 0.00 O ATOM 492 CB ARG A 216 0.055 -2.411 9.208 1.00 0.00 C ATOM 493 CG ARG A 216 -0.542 -1.021 9.359 1.00 0.00 C ATOM 494 CD ARG A 216 0.372 -0.105 10.157 1.00 0.00 C ATOM 495 NE ARG A 216 -0.353 1.021 10.738 1.00 0.00 N ATOM 496 CZ ARG A 216 -1.173 0.910 11.778 1.00 0.00 C ATOM 497 NH1 ARG A 216 -1.370 -0.270 12.347 1.00 0.00 N ATOM 498 NH2 ARG A 216 -1.797 1.982 12.250 1.00 0.00 N ATOM 0 H ARG A 216 0.317 -1.955 6.779 1.00 0.00 H new ATOM 0 HA ARG A 216 2.001 -1.572 8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.640 -3.037 8.647 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.163 -2.860 10.195 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.719 -0.591 8.373 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.510 -1.092 9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 216 0.853 -0.675 10.952 1.00 0.00 H new ATOM 0 HD3 ARG A 216 1.165 0.270 9.509 1.00 0.00 H new ATOM 0 HE ARG A 216 -0.223 1.944 10.323 1.00 0.00 H new ATOM 0 HH11 ARG A 216 -0.892 -1.096 11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 216 -2.000 -0.353 13.145 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -1.647 2.892 11.815 1.00 0.00 H new ATOM 0 HH22 ARG A 216 -2.426 1.896 13.048 1.00 0.00 H new ATOM 512 N LEU A 217 1.872 -4.770 8.109 1.00 0.00 N ATOM 513 CA LEU A 217 2.520 -6.057 8.334 1.00 0.00 C ATOM 514 C LEU A 217 4.026 -5.887 8.504 1.00 0.00 C ATOM 515 O LEU A 217 4.685 -5.178 7.743 1.00 0.00 O ATOM 516 CB LEU A 217 2.231 -7.006 7.169 1.00 0.00 C ATOM 517 CG LEU A 217 2.696 -8.451 7.349 1.00 0.00 C ATOM 518 CD1 LEU A 217 1.601 -9.288 7.992 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.111 -9.049 6.013 1.00 0.00 C ATOM 0 H LEU A 217 1.190 -4.768 7.351 1.00 0.00 H new ATOM 0 HA LEU A 217 2.116 -6.484 9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.156 -7.011 6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 217 2.702 -6.603 6.273 1.00 0.00 H new ATOM 0 HG LEU A 217 3.563 -8.453 8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 217 1.950 -10.314 8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.352 -8.873 8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 217 0.715 -9.278 7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.439 -10.078 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.263 -9.033 5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 217 3.929 -8.465 5.591 1.00 0.00 H new ATOM 531 N PRO A 218 4.585 -6.553 9.525 1.00 0.00 N ATOM 532 CA PRO A 218 6.020 -6.493 9.818 1.00 0.00 C ATOM 533 C PRO A 218 6.857 -7.210 8.764 1.00 0.00 C ATOM 534 O PRO A 218 6.489 -8.284 8.290 1.00 0.00 O ATOM 535 CB PRO A 218 6.137 -7.204 11.168 1.00 0.00 C ATOM 536 CG PRO A 218 4.961 -8.118 11.218 1.00 0.00 C ATOM 537 CD PRO A 218 3.860 -7.416 10.473 1.00 0.00 C ATOM 0 HA PRO A 218 6.391 -5.468 9.827 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.073 -7.758 11.244 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.120 -6.492 11.993 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.193 -9.078 10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 218 4.668 -8.321 12.248 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.210 -8.123 9.957 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.228 -6.834 11.144 1.00 0.00 H new ATOM 545 N VAL A 219 7.986 -6.608 8.402 1.00 0.00 N ATOM 546 CA VAL A 219 8.876 -7.190 7.405 1.00 0.00 C ATOM 547 C VAL A 219 10.329 -7.128 7.862 1.00 0.00 C ATOM 548 O VAL A 219 10.799 -6.092 8.332 1.00 0.00 O ATOM 549 CB VAL A 219 8.746 -6.472 6.048 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.385 -6.749 5.426 1.00 0.00 C ATOM 551 CG2 VAL A 219 8.971 -4.977 6.213 1.00 0.00 C ATOM 0 H VAL A 219 8.305 -5.718 8.784 1.00 0.00 H new ATOM 0 HA VAL A 219 8.579 -8.232 7.287 1.00 0.00 H new ATOM 0 HB VAL A 219 9.512 -6.860 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.311 -6.234 4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 219 7.267 -7.822 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 219 6.601 -6.390 6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 219 8.875 -4.486 5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.229 -4.571 6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 219 9.970 -4.801 6.612 1.00 0.00 H new ATOM 561 N ALA A 220 11.037 -8.244 7.721 1.00 0.00 N ATOM 562 CA ALA A 220 12.437 -8.316 8.118 1.00 0.00 C ATOM 563 C ALA A 220 13.318 -7.505 7.173 1.00 0.00 C ATOM 564 O ALA A 220 13.070 -7.454 5.968 1.00 0.00 O ATOM 565 CB ALA A 220 12.900 -9.764 8.161 1.00 0.00 C ATOM 0 H ALA A 220 10.663 -9.111 7.335 1.00 0.00 H new ATOM 0 HA ALA A 220 12.528 -7.887 9.116 1.00 0.00 H new ATOM 0 HB1 ALA A 220 13.948 -9.802 8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 220 12.297 -10.317 8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 220 12.787 -10.212 7.174 1.00 0.00 H new ATOM 571 N CYS A 221 14.346 -6.871 7.727 1.00 0.00 N ATOM 572 CA CYS A 221 15.263 -6.061 6.935 1.00 0.00 C ATOM 573 C CYS A 221 16.112 -6.938 6.020 1.00 0.00 C ATOM 574 O CYS A 221 16.647 -7.969 6.428 1.00 0.00 O ATOM 575 CB CYS A 221 16.168 -5.234 7.850 1.00 0.00 C ATOM 576 SG CYS A 221 17.233 -4.048 6.969 1.00 0.00 S ATOM 0 H CYS A 221 14.565 -6.903 8.723 1.00 0.00 H new ATOM 0 HA CYS A 221 14.670 -5.387 6.316 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.547 -4.689 8.561 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.797 -5.910 8.429 1.00 0.00 H new ATOM 581 N PRO A 222 16.239 -6.521 4.751 1.00 0.00 N ATOM 582 CA PRO A 222 17.022 -7.254 3.752 1.00 0.00 C ATOM 583 C PRO A 222 18.521 -7.187 4.027 1.00 0.00 C ATOM 584 O PRO A 222 19.281 -8.049 3.587 1.00 0.00 O ATOM 585 CB PRO A 222 16.687 -6.535 2.442 1.00 0.00 C ATOM 586 CG PRO A 222 16.295 -5.158 2.855 1.00 0.00 C ATOM 587 CD PRO A 222 15.629 -5.302 4.195 1.00 0.00 C ATOM 0 HA PRO A 222 16.781 -8.317 3.745 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.545 -6.518 1.770 1.00 0.00 H new ATOM 0 HB3 PRO A 222 15.876 -7.035 1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 222 17.167 -4.507 2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.617 -4.711 2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.813 -4.435 4.830 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.548 -5.402 4.098 1.00 0.00 H new ATOM 595 N ASN A 223 18.938 -6.159 4.758 1.00 0.00 N ATOM 596 CA ASN A 223 20.347 -5.981 5.092 1.00 0.00 C ATOM 597 C ASN A 223 20.694 -6.702 6.391 1.00 0.00 C ATOM 598 O ASN A 223 21.826 -6.631 6.868 1.00 0.00 O ATOM 599 CB ASN A 223 20.678 -4.492 5.218 1.00 0.00 C ATOM 600 CG ASN A 223 20.532 -3.754 3.902 1.00 0.00 C ATOM 601 OD1 ASN A 223 20.499 -4.366 2.834 1.00 0.00 O ATOM 602 ND2 ASN A 223 20.444 -2.431 3.972 1.00 0.00 N ATOM 0 H ASN A 223 18.321 -5.437 5.130 1.00 0.00 H new ATOM 0 HA ASN A 223 20.943 -6.413 4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 223 20.022 -4.038 5.961 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.699 -4.379 5.583 1.00 0.00 H new ATOM 0 HD21 ASN A 223 20.345 -1.881 3.119 1.00 0.00 H new ATOM 0 HD22 ASN A 223 20.476 -1.965 4.879 1.00 0.00 H new ATOM 609 N GLN A 224 19.711 -7.396 6.956 1.00 0.00 N ATOM 610 CA GLN A 224 19.913 -8.130 8.200 1.00 0.00 C ATOM 611 C GLN A 224 20.820 -7.354 9.149 1.00 0.00 C ATOM 612 O GLN A 224 21.798 -7.892 9.669 1.00 0.00 O ATOM 613 CB GLN A 224 20.514 -9.507 7.912 1.00 0.00 C ATOM 614 CG GLN A 224 19.474 -10.573 7.606 1.00 0.00 C ATOM 615 CD GLN A 224 19.034 -10.559 6.155 1.00 0.00 C ATOM 616 OE1 GLN A 224 19.846 -10.735 5.246 1.00 0.00 O ATOM 617 NE2 GLN A 224 17.742 -10.349 5.930 1.00 0.00 N ATOM 0 H GLN A 224 18.768 -7.465 6.573 1.00 0.00 H new ATOM 0 HA GLN A 224 18.942 -8.258 8.679 1.00 0.00 H new ATOM 0 HB2 GLN A 224 21.198 -9.426 7.068 1.00 0.00 H new ATOM 0 HB3 GLN A 224 21.105 -9.824 8.772 1.00 0.00 H new ATOM 0 HG2 GLN A 224 19.883 -11.554 7.848 1.00 0.00 H new ATOM 0 HG3 GLN A 224 18.605 -10.422 8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 224 17.104 -10.208 6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 224 17.388 -10.329 4.974 1.00 0.00 H new ATOM 626 N CYS A 225 20.489 -6.086 9.372 1.00 0.00 N ATOM 627 CA CYS A 225 21.274 -5.235 10.258 1.00 0.00 C ATOM 628 C CYS A 225 21.164 -5.708 11.704 1.00 0.00 C ATOM 629 O CYS A 225 22.169 -5.859 12.398 1.00 0.00 O ATOM 630 CB CYS A 225 20.808 -3.782 10.148 1.00 0.00 C ATOM 631 SG CYS A 225 19.010 -3.561 10.344 1.00 0.00 S ATOM 0 H CYS A 225 19.682 -5.625 8.951 1.00 0.00 H new ATOM 0 HA CYS A 225 22.318 -5.299 9.952 1.00 0.00 H new ATOM 0 HB2 CYS A 225 21.321 -3.189 10.905 1.00 0.00 H new ATOM 0 HB3 CYS A 225 21.108 -3.388 9.177 1.00 0.00 H new ATOM 636 N GLY A 226 19.934 -5.941 12.153 1.00 0.00 N ATOM 637 CA GLY A 226 19.715 -6.395 13.514 1.00 0.00 C ATOM 638 C GLY A 226 18.314 -6.093 14.007 1.00 0.00 C ATOM 639 O GLY A 226 17.686 -6.925 14.663 1.00 0.00 O ATOM 0 H GLY A 226 19.086 -5.823 11.599 1.00 0.00 H new ATOM 0 HA2 GLY A 226 19.892 -7.469 13.569 1.00 0.00 H new ATOM 0 HA3 GLY A 226 20.440 -5.918 14.174 1.00 0.00 H new ATOM 643 N VAL A 227 17.822 -4.899 13.693 1.00 0.00 N ATOM 644 CA VAL A 227 16.486 -4.489 14.109 1.00 0.00 C ATOM 645 C VAL A 227 15.529 -5.675 14.133 1.00 0.00 C ATOM 646 O VAL A 227 14.686 -5.789 15.021 1.00 0.00 O ATOM 647 CB VAL A 227 15.916 -3.403 13.176 1.00 0.00 C ATOM 648 CG1 VAL A 227 15.768 -3.939 11.760 1.00 0.00 C ATOM 649 CG2 VAL A 227 14.584 -2.893 13.705 1.00 0.00 C ATOM 0 H VAL A 227 18.329 -4.198 13.152 1.00 0.00 H new ATOM 0 HA VAL A 227 16.580 -4.081 15.115 1.00 0.00 H new ATOM 0 HB VAL A 227 16.615 -2.567 13.150 1.00 0.00 H new ATOM 0 HG11 VAL A 227 15.364 -3.158 11.116 1.00 0.00 H new ATOM 0 HG12 VAL A 227 16.743 -4.251 11.385 1.00 0.00 H new ATOM 0 HG13 VAL A 227 15.091 -4.793 11.763 1.00 0.00 H new ATOM 0 HG21 VAL A 227 14.195 -2.127 13.034 1.00 0.00 H new ATOM 0 HG22 VAL A 227 13.875 -3.719 13.762 1.00 0.00 H new ATOM 0 HG23 VAL A 227 14.726 -2.468 14.698 1.00 0.00 H new ATOM 659 N GLY A 228 15.667 -6.560 13.149 1.00 0.00 N ATOM 660 CA GLY A 228 14.808 -7.727 13.076 1.00 0.00 C ATOM 661 C GLY A 228 13.611 -7.511 12.171 1.00 0.00 C ATOM 662 O GLY A 228 13.711 -7.654 10.952 1.00 0.00 O ATOM 0 H GLY A 228 16.358 -6.489 12.402 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.385 -8.577 12.713 1.00 0.00 H new ATOM 0 HA3 GLY A 228 14.461 -7.982 14.077 1.00 0.00 H new ATOM 666 N THR A 229 12.474 -7.168 12.768 1.00 0.00 N ATOM 667 CA THR A 229 11.252 -6.934 12.009 1.00 0.00 C ATOM 668 C THR A 229 10.841 -5.468 12.065 1.00 0.00 C ATOM 669 O THR A 229 11.046 -4.794 13.075 1.00 0.00 O ATOM 670 CB THR A 229 10.092 -7.802 12.532 1.00 0.00 C ATOM 671 OG1 THR A 229 10.032 -7.731 13.961 1.00 0.00 O ATOM 672 CG2 THR A 229 10.260 -9.250 12.097 1.00 0.00 C ATOM 0 H THR A 229 12.374 -7.046 13.776 1.00 0.00 H new ATOM 0 HA THR A 229 11.464 -7.208 10.976 1.00 0.00 H new ATOM 0 HB THR A 229 9.163 -7.419 12.111 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.291 -8.284 14.285 1.00 0.00 H new ATOM 0 HG21 THR A 229 9.429 -9.843 12.478 1.00 0.00 H new ATOM 0 HG22 THR A 229 10.275 -9.304 11.008 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.197 -9.642 12.492 1.00 0.00 H new ATOM 680 N VAL A 230 10.259 -4.978 10.975 1.00 0.00 N ATOM 681 CA VAL A 230 9.817 -3.591 10.902 1.00 0.00 C ATOM 682 C VAL A 230 8.734 -3.414 9.844 1.00 0.00 C ATOM 683 O VAL A 230 8.880 -3.868 8.709 1.00 0.00 O ATOM 684 CB VAL A 230 10.990 -2.644 10.582 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.512 -2.896 9.176 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.564 -1.194 10.751 1.00 0.00 C ATOM 0 H VAL A 230 10.083 -5.522 10.130 1.00 0.00 H new ATOM 0 HA VAL A 230 9.410 -3.337 11.881 1.00 0.00 H new ATOM 0 HB VAL A 230 11.799 -2.845 11.284 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.340 -2.218 8.968 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.858 -3.926 9.096 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.713 -2.724 8.455 1.00 0.00 H new ATOM 0 HG21 VAL A 230 11.404 -0.539 10.521 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.738 -0.976 10.074 1.00 0.00 H new ATOM 0 HG23 VAL A 230 10.244 -1.026 11.779 1.00 0.00 H new ATOM 696 N ALA A 231 7.646 -2.752 10.223 1.00 0.00 N ATOM 697 CA ALA A 231 6.538 -2.513 9.306 1.00 0.00 C ATOM 698 C ALA A 231 7.042 -2.274 7.887 1.00 0.00 C ATOM 699 O ALA A 231 8.104 -1.685 7.687 1.00 0.00 O ATOM 700 CB ALA A 231 5.707 -1.330 9.780 1.00 0.00 C ATOM 0 H ALA A 231 7.508 -2.371 11.159 1.00 0.00 H new ATOM 0 HA ALA A 231 5.909 -3.403 9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.883 -1.163 9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 231 5.308 -1.540 10.773 1.00 0.00 H new ATOM 0 HB3 ALA A 231 6.333 -0.439 9.821 1.00 0.00 H new ATOM 706 N ARG A 232 6.274 -2.735 6.906 1.00 0.00 N ATOM 707 CA ARG A 232 6.643 -2.573 5.505 1.00 0.00 C ATOM 708 C ARG A 232 6.723 -1.095 5.132 1.00 0.00 C ATOM 709 O ARG A 232 7.542 -0.699 4.303 1.00 0.00 O ATOM 710 CB ARG A 232 5.633 -3.284 4.603 1.00 0.00 C ATOM 711 CG ARG A 232 5.935 -3.142 3.120 1.00 0.00 C ATOM 712 CD ARG A 232 5.275 -1.904 2.534 1.00 0.00 C ATOM 713 NE ARG A 232 5.519 -1.781 1.099 1.00 0.00 N ATOM 714 CZ ARG A 232 4.756 -1.062 0.283 1.00 0.00 C ATOM 715 NH1 ARG A 232 3.707 -0.405 0.757 1.00 0.00 N ATOM 716 NH2 ARG A 232 5.043 -0.999 -1.012 1.00 0.00 N ATOM 0 H ARG A 232 5.392 -3.224 7.056 1.00 0.00 H new ATOM 0 HA ARG A 232 7.626 -3.021 5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.611 -4.343 4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.638 -2.886 4.802 1.00 0.00 H new ATOM 0 HG2 ARG A 232 7.013 -3.086 2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 232 5.585 -4.028 2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 232 4.201 -1.945 2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 232 5.652 -1.017 3.043 1.00 0.00 H new ATOM 0 HE ARG A 232 6.319 -2.274 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 232 3.483 -0.450 1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 232 3.123 0.146 0.128 1.00 0.00 H new ATOM 0 HH21 ARG A 232 5.850 -1.503 -1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 232 4.457 -0.447 -1.638 1.00 0.00 H new ATOM 730 N GLU A 233 5.867 -0.287 5.749 1.00 0.00 N ATOM 731 CA GLU A 233 5.841 1.146 5.480 1.00 0.00 C ATOM 732 C GLU A 233 6.860 1.881 6.345 1.00 0.00 C ATOM 733 O GLU A 233 7.047 3.090 6.210 1.00 0.00 O ATOM 734 CB GLU A 233 4.441 1.709 5.732 1.00 0.00 C ATOM 735 CG GLU A 233 4.109 1.877 7.205 1.00 0.00 C ATOM 736 CD GLU A 233 4.584 3.204 7.763 1.00 0.00 C ATOM 737 OE1 GLU A 233 3.995 4.244 7.401 1.00 0.00 O ATOM 738 OE2 GLU A 233 5.545 3.203 8.560 1.00 0.00 O ATOM 0 H GLU A 233 5.183 -0.600 6.438 1.00 0.00 H new ATOM 0 HA GLU A 233 6.103 1.298 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 233 4.352 2.675 5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.705 1.047 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 233 3.031 1.795 7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.565 1.065 7.771 1.00 0.00 H new ATOM 745 N ASP A 234 7.516 1.142 7.233 1.00 0.00 N ATOM 746 CA ASP A 234 8.516 1.722 8.121 1.00 0.00 C ATOM 747 C ASP A 234 9.924 1.330 7.683 1.00 0.00 C ATOM 748 O ASP A 234 10.914 1.842 8.208 1.00 0.00 O ATOM 749 CB ASP A 234 8.273 1.272 9.563 1.00 0.00 C ATOM 750 CG ASP A 234 7.229 2.118 10.265 1.00 0.00 C ATOM 751 OD1 ASP A 234 7.556 3.257 10.660 1.00 0.00 O ATOM 752 OD2 ASP A 234 6.085 1.642 10.418 1.00 0.00 O ATOM 0 H ASP A 234 7.373 0.140 7.357 1.00 0.00 H new ATOM 0 HA ASP A 234 8.427 2.807 8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.954 0.230 9.566 1.00 0.00 H new ATOM 0 HB3 ASP A 234 9.210 1.321 10.119 1.00 0.00 H new ATOM 757 N LEU A 235 10.006 0.418 6.721 1.00 0.00 N ATOM 758 CA LEU A 235 11.293 -0.045 6.213 1.00 0.00 C ATOM 759 C LEU A 235 12.000 1.060 5.435 1.00 0.00 C ATOM 760 O LEU A 235 13.204 1.278 5.573 1.00 0.00 O ATOM 761 CB LEU A 235 11.099 -1.270 5.318 1.00 0.00 C ATOM 762 CG LEU A 235 12.302 -2.206 5.192 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.604 -2.870 6.527 1.00 0.00 C ATOM 764 CD2 LEU A 235 12.052 -3.255 4.118 1.00 0.00 C ATOM 0 H LEU A 235 9.197 -0.016 6.277 1.00 0.00 H new ATOM 0 HA LEU A 235 11.915 -0.320 7.065 1.00 0.00 H new ATOM 0 HB2 LEU A 235 10.255 -1.845 5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.825 -0.927 4.320 1.00 0.00 H new ATOM 0 HG LEU A 235 13.169 -1.614 4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.463 -3.532 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.827 -2.106 7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.738 -3.449 6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 235 12.918 -3.912 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 235 11.173 -3.843 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 235 11.886 -2.762 3.160 1.00 0.00 H new ATOM 776 N PRO A 236 11.236 1.777 4.597 1.00 0.00 N ATOM 777 CA PRO A 236 11.768 2.874 3.783 1.00 0.00 C ATOM 778 C PRO A 236 12.625 3.837 4.596 1.00 0.00 C ATOM 779 O PRO A 236 13.830 3.951 4.373 1.00 0.00 O ATOM 780 CB PRO A 236 10.509 3.579 3.272 1.00 0.00 C ATOM 781 CG PRO A 236 9.456 2.525 3.276 1.00 0.00 C ATOM 782 CD PRO A 236 9.794 1.573 4.381 1.00 0.00 C ATOM 0 HA PRO A 236 12.423 2.512 2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 236 10.235 4.415 3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.660 3.983 2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.471 2.964 3.433 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.425 2.008 2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 236 9.221 1.788 5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.574 0.543 4.102 1.00 0.00 H new ATOM 790 N GLY A 237 11.996 4.528 5.542 1.00 0.00 N ATOM 791 CA GLY A 237 12.718 5.473 6.375 1.00 0.00 C ATOM 792 C GLY A 237 13.857 4.823 7.135 1.00 0.00 C ATOM 793 O GLY A 237 14.893 5.447 7.368 1.00 0.00 O ATOM 0 H GLY A 237 11.000 4.450 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 237 13.112 6.275 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 237 12.027 5.930 7.083 1.00 0.00 H new ATOM 797 N HIS A 238 13.666 3.566 7.524 1.00 0.00 N ATOM 798 CA HIS A 238 14.686 2.832 8.264 1.00 0.00 C ATOM 799 C HIS A 238 15.941 2.644 7.417 1.00 0.00 C ATOM 800 O HIS A 238 17.050 2.961 7.852 1.00 0.00 O ATOM 801 CB HIS A 238 14.146 1.471 8.705 1.00 0.00 C ATOM 802 CG HIS A 238 15.217 0.456 8.960 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.667 0.137 10.224 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.926 -0.316 8.103 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.608 -0.786 10.134 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.784 -1.078 8.858 1.00 0.00 N ATOM 0 H HIS A 238 12.815 3.035 7.339 1.00 0.00 H new ATOM 0 HA HIS A 238 14.948 3.414 9.148 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.556 1.600 9.612 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.472 1.091 7.938 1.00 0.00 H new ATOM 0 HD1 HIS A 238 15.327 0.549 11.093 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.834 -0.330 7.027 1.00 0.00 H new ATOM 0 HE1 HIS A 238 17.142 -1.227 10.963 1.00 0.00 H new ATOM 814 N LEU A 239 15.761 2.126 6.208 1.00 0.00 N ATOM 815 CA LEU A 239 16.879 1.895 5.300 1.00 0.00 C ATOM 816 C LEU A 239 17.642 3.189 5.035 1.00 0.00 C ATOM 817 O LEU A 239 18.792 3.165 4.594 1.00 0.00 O ATOM 818 CB LEU A 239 16.377 1.307 3.980 1.00 0.00 C ATOM 819 CG LEU A 239 15.968 -0.166 4.014 1.00 0.00 C ATOM 820 CD1 LEU A 239 15.241 -0.548 2.734 1.00 0.00 C ATOM 821 CD2 LEU A 239 17.187 -1.053 4.222 1.00 0.00 C ATOM 0 H LEU A 239 14.851 1.858 5.833 1.00 0.00 H new ATOM 0 HA LEU A 239 17.557 1.185 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.521 1.893 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 239 17.159 1.429 3.230 1.00 0.00 H new ATOM 0 HG LEU A 239 15.287 -0.315 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 239 14.958 -1.600 2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.346 0.065 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 239 15.898 -0.383 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.877 -2.098 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 239 17.892 -0.900 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.666 -0.797 5.167 1.00 0.00 H new ATOM 833 N LYS A 240 16.997 4.317 5.309 1.00 0.00 N ATOM 834 CA LYS A 240 17.614 5.622 5.105 1.00 0.00 C ATOM 835 C LYS A 240 18.834 5.793 6.005 1.00 0.00 C ATOM 836 O LYS A 240 19.965 5.870 5.526 1.00 0.00 O ATOM 837 CB LYS A 240 16.603 6.737 5.380 1.00 0.00 C ATOM 838 CG LYS A 240 17.062 8.105 4.906 1.00 0.00 C ATOM 839 CD LYS A 240 15.883 9.020 4.622 1.00 0.00 C ATOM 840 CE LYS A 240 16.339 10.441 4.326 1.00 0.00 C ATOM 841 NZ LYS A 240 16.835 11.130 5.549 1.00 0.00 N ATOM 0 H LYS A 240 16.045 4.354 5.674 1.00 0.00 H new ATOM 0 HA LYS A 240 17.939 5.684 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 240 15.660 6.490 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 240 16.405 6.780 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 240 17.701 8.558 5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 240 17.665 7.996 4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 240 15.318 8.634 3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 240 15.209 9.024 5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 240 17.129 10.420 3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 240 15.510 11.007 3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 16.960 12.143 5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 16.146 11.011 6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 17.746 10.718 5.834 1.00 0.00 H new ATOM 855 N ASP A 241 18.596 5.851 7.311 1.00 0.00 N ATOM 856 CA ASP A 241 19.676 6.011 8.278 1.00 0.00 C ATOM 857 C ASP A 241 19.630 4.907 9.330 1.00 0.00 C ATOM 858 O ASP A 241 20.653 4.302 9.654 1.00 0.00 O ATOM 859 CB ASP A 241 19.585 7.380 8.954 1.00 0.00 C ATOM 860 CG ASP A 241 19.357 8.502 7.960 1.00 0.00 C ATOM 861 OD1 ASP A 241 19.754 8.345 6.787 1.00 0.00 O ATOM 862 OD2 ASP A 241 18.780 9.536 8.356 1.00 0.00 O ATOM 0 H ASP A 241 17.665 5.790 7.724 1.00 0.00 H new ATOM 0 HA ASP A 241 20.623 5.941 7.743 1.00 0.00 H new ATOM 0 HB2 ASP A 241 18.772 7.370 9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 241 20.504 7.570 9.508 1.00 0.00 H new ATOM 867 N SER A 242 18.439 4.650 9.861 1.00 0.00 N ATOM 868 CA SER A 242 18.262 3.622 10.880 1.00 0.00 C ATOM 869 C SER A 242 19.196 2.443 10.630 1.00 0.00 C ATOM 870 O SER A 242 20.097 2.170 11.424 1.00 0.00 O ATOM 871 CB SER A 242 16.809 3.141 10.901 1.00 0.00 C ATOM 872 OG SER A 242 15.913 4.232 11.023 1.00 0.00 O ATOM 0 H SER A 242 17.582 5.139 9.602 1.00 0.00 H new ATOM 0 HA SER A 242 18.508 4.058 11.848 1.00 0.00 H new ATOM 0 HB2 SER A 242 16.592 2.589 9.987 1.00 0.00 H new ATOM 0 HB3 SER A 242 16.663 2.451 11.732 1.00 0.00 H new ATOM 0 HG SER A 242 15.047 3.909 11.348 1.00 0.00 H new ATOM 878 N CYS A 243 18.975 1.745 9.521 1.00 0.00 N ATOM 879 CA CYS A 243 19.796 0.594 9.165 1.00 0.00 C ATOM 880 C CYS A 243 21.275 0.889 9.392 1.00 0.00 C ATOM 881 O CYS A 243 21.862 1.733 8.715 1.00 0.00 O ATOM 882 CB CYS A 243 19.560 0.206 7.703 1.00 0.00 C ATOM 883 SG CYS A 243 19.910 -1.543 7.332 1.00 0.00 S ATOM 0 H CYS A 243 18.234 1.957 8.853 1.00 0.00 H new ATOM 0 HA CYS A 243 19.508 -0.239 9.807 1.00 0.00 H new ATOM 0 HB2 CYS A 243 18.523 0.421 7.444 1.00 0.00 H new ATOM 0 HB3 CYS A 243 20.184 0.833 7.066 1.00 0.00 H new ATOM 888 N ASN A 244 21.873 0.188 10.350 1.00 0.00 N ATOM 889 CA ASN A 244 23.284 0.375 10.667 1.00 0.00 C ATOM 890 C ASN A 244 24.165 -0.443 9.729 1.00 0.00 C ATOM 891 O ASN A 244 24.538 -1.576 10.037 1.00 0.00 O ATOM 892 CB ASN A 244 23.558 -0.023 12.119 1.00 0.00 C ATOM 893 CG ASN A 244 24.730 0.734 12.714 1.00 0.00 C ATOM 894 OD1 ASN A 244 25.870 0.580 12.276 1.00 0.00 O ATOM 895 ND2 ASN A 244 24.453 1.557 13.719 1.00 0.00 N ATOM 0 H ASN A 244 21.402 -0.515 10.920 1.00 0.00 H new ATOM 0 HA ASN A 244 23.524 1.430 10.534 1.00 0.00 H new ATOM 0 HB2 ASN A 244 22.667 0.163 12.718 1.00 0.00 H new ATOM 0 HB3 ASN A 244 23.758 -1.093 12.168 1.00 0.00 H new ATOM 0 HD21 ASN A 244 25.200 2.093 14.160 1.00 0.00 H new ATOM 0 HD22 ASN A 244 23.493 1.653 14.050 1.00 0.00 H new ATOM 902 N THR A 245 24.497 0.139 8.580 1.00 0.00 N ATOM 903 CA THR A 245 25.334 -0.535 7.596 1.00 0.00 C ATOM 904 C THR A 245 26.681 -0.925 8.194 1.00 0.00 C ATOM 905 O THR A 245 27.288 -0.153 8.936 1.00 0.00 O ATOM 906 CB THR A 245 25.572 0.351 6.359 1.00 0.00 C ATOM 907 OG1 THR A 245 26.396 -0.338 5.413 1.00 0.00 O ATOM 908 CG2 THR A 245 26.233 1.664 6.753 1.00 0.00 C ATOM 0 H THR A 245 24.199 1.076 8.309 1.00 0.00 H new ATOM 0 HA THR A 245 24.800 -1.435 7.292 1.00 0.00 H new ATOM 0 HB THR A 245 24.605 0.570 5.906 1.00 0.00 H new ATOM 0 HG1 THR A 245 26.541 0.232 4.629 1.00 0.00 H new ATOM 0 HG21 THR A 245 26.391 2.273 5.863 1.00 0.00 H new ATOM 0 HG22 THR A 245 25.589 2.200 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 245 27.192 1.460 7.228 1.00 0.00 H new ATOM 916 N ALA A 246 27.144 -2.127 7.867 1.00 0.00 N ATOM 917 CA ALA A 246 28.421 -2.618 8.370 1.00 0.00 C ATOM 918 C ALA A 246 29.586 -1.990 7.614 1.00 0.00 C ATOM 919 O ALA A 246 29.593 -1.953 6.382 1.00 0.00 O ATOM 920 CB ALA A 246 28.480 -4.135 8.270 1.00 0.00 C ATOM 0 H ALA A 246 26.653 -2.779 7.255 1.00 0.00 H new ATOM 0 HA ALA A 246 28.505 -2.331 9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 246 29.439 -4.488 8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 246 27.674 -4.570 8.861 1.00 0.00 H new ATOM 0 HB3 ALA A 246 28.369 -4.436 7.228 1.00 0.00 H new ATOM 926 N LEU A 247 30.571 -1.497 8.357 1.00 0.00 N ATOM 927 CA LEU A 247 31.743 -0.869 7.756 1.00 0.00 C ATOM 928 C LEU A 247 32.418 -1.813 6.766 1.00 0.00 C ATOM 929 O LEU A 247 32.810 -1.405 5.672 1.00 0.00 O ATOM 930 CB LEU A 247 32.737 -0.455 8.842 1.00 0.00 C ATOM 931 CG LEU A 247 32.531 0.934 9.446 1.00 0.00 C ATOM 932 CD1 LEU A 247 32.772 2.012 8.401 1.00 0.00 C ATOM 933 CD2 LEU A 247 31.131 1.059 10.031 1.00 0.00 C ATOM 0 H LEU A 247 30.582 -1.520 9.377 1.00 0.00 H new ATOM 0 HA LEU A 247 31.413 0.019 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 247 32.692 -1.189 9.646 1.00 0.00 H new ATOM 0 HB3 LEU A 247 33.742 -0.502 8.423 1.00 0.00 H new ATOM 0 HG LEU A 247 33.253 1.070 10.251 1.00 0.00 H new ATOM 0 HD11 LEU A 247 32.621 2.994 8.850 1.00 0.00 H new ATOM 0 HD12 LEU A 247 33.794 1.936 8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 247 32.074 1.879 7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 247 31.002 2.054 10.457 1.00 0.00 H new ATOM 0 HD22 LEU A 247 30.393 0.902 9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 247 30.995 0.310 10.811 1.00 0.00 H new ATOM 945 N VAL A 248 32.548 -3.077 7.155 1.00 0.00 N ATOM 946 CA VAL A 248 33.173 -4.080 6.300 1.00 0.00 C ATOM 947 C VAL A 248 32.705 -5.483 6.668 1.00 0.00 C ATOM 948 O VAL A 248 32.418 -5.768 7.830 1.00 0.00 O ATOM 949 CB VAL A 248 34.709 -4.020 6.396 1.00 0.00 C ATOM 950 CG1 VAL A 248 35.171 -4.371 7.802 1.00 0.00 C ATOM 951 CG2 VAL A 248 35.342 -4.949 5.370 1.00 0.00 C ATOM 0 H VAL A 248 32.229 -3.431 8.057 1.00 0.00 H new ATOM 0 HA VAL A 248 32.872 -3.857 5.276 1.00 0.00 H new ATOM 0 HB VAL A 248 35.030 -3.001 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 248 36.259 -4.323 7.850 1.00 0.00 H new ATOM 0 HG12 VAL A 248 34.745 -3.663 8.512 1.00 0.00 H new ATOM 0 HG13 VAL A 248 34.841 -5.379 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 248 36.428 -4.895 5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 248 35.015 -5.972 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 248 35.037 -4.646 4.368 1.00 0.00 H new TER 961 VAL A 248 HETATM 962 ZN ZN A 300 -4.434 -4.894 6.320 1.00 0.00 ZN HETATM 963 ZN ZN A 400 18.136 -2.549 8.482 1.00 0.00 ZN