USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 280 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 214 HIS HE2 : A 214 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 218 HIS HE2 : A 218 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD Single : A 186 SER OG : rot -55:sc= 0.384! USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 190 SER OG : rot 180:sc= -0.091 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 SER OG : rot 180:sc= 0 USER MOD Single : A 207 GLN : amide:sc= -0.0483 K(o=-0.048,f=-0.94) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 SER OG : rot -157:sc= -0.82 USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= -0.0927 USER MOD Single : A 225 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 185 20.426 8.832 9.321 1.00 0.00 N ATOM 2 CA GLY A 185 19.162 9.545 9.332 1.00 0.00 C ATOM 3 C GLY A 185 19.046 10.537 8.193 1.00 0.00 C ATOM 4 O GLY A 185 19.556 11.654 8.279 1.00 0.00 O ATOM 0 HA2 GLY A 185 18.343 8.828 9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 185 19.054 10.071 10.280 1.00 0.00 H new ATOM 8 N SER A 186 18.374 10.129 7.121 1.00 0.00 N ATOM 9 CA SER A 186 18.198 10.989 5.956 1.00 0.00 C ATOM 10 C SER A 186 17.214 10.370 4.968 1.00 0.00 C ATOM 11 O SER A 186 17.596 9.571 4.113 1.00 0.00 O ATOM 12 CB SER A 186 19.543 11.235 5.269 1.00 0.00 C ATOM 13 OG SER A 186 19.370 11.480 3.884 1.00 0.00 O ATOM 0 H SER A 186 17.943 9.209 7.035 1.00 0.00 H new ATOM 0 HA SER A 186 17.793 11.942 6.296 1.00 0.00 H new ATOM 0 HB2 SER A 186 20.042 12.086 5.733 1.00 0.00 H new ATOM 0 HB3 SER A 186 20.191 10.370 5.411 1.00 0.00 H new ATOM 0 HG SER A 186 18.875 10.737 3.480 1.00 0.00 H new ATOM 19 N SER A 187 15.945 10.746 5.092 1.00 0.00 N ATOM 20 CA SER A 187 14.905 10.226 4.213 1.00 0.00 C ATOM 21 C SER A 187 14.137 11.364 3.547 1.00 0.00 C ATOM 22 O SER A 187 14.274 12.526 3.927 1.00 0.00 O ATOM 23 CB SER A 187 13.940 9.337 5.000 1.00 0.00 C ATOM 24 OG SER A 187 14.597 8.711 6.089 1.00 0.00 O ATOM 0 H SER A 187 15.613 11.409 5.793 1.00 0.00 H new ATOM 0 HA SER A 187 15.385 9.631 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 187 13.107 9.936 5.369 1.00 0.00 H new ATOM 0 HB3 SER A 187 13.519 8.578 4.340 1.00 0.00 H new ATOM 0 HG SER A 187 13.959 8.150 6.577 1.00 0.00 H new ATOM 30 N GLY A 188 13.327 11.020 2.550 1.00 0.00 N ATOM 31 CA GLY A 188 12.549 12.022 1.847 1.00 0.00 C ATOM 32 C GLY A 188 11.486 11.411 0.955 1.00 0.00 C ATOM 33 O GLY A 188 11.652 11.343 -0.263 1.00 0.00 O ATOM 0 H GLY A 188 13.196 10.065 2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 188 12.074 12.683 2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 188 13.216 12.637 1.243 1.00 0.00 H new ATOM 37 N SER A 189 10.392 10.964 1.563 1.00 0.00 N ATOM 38 CA SER A 189 9.300 10.350 0.816 1.00 0.00 C ATOM 39 C SER A 189 8.019 11.166 0.958 1.00 0.00 C ATOM 40 O SER A 189 7.848 11.910 1.924 1.00 0.00 O ATOM 41 CB SER A 189 9.063 8.919 1.303 1.00 0.00 C ATOM 42 OG SER A 189 8.864 8.883 2.705 1.00 0.00 O ATOM 0 H SER A 189 10.238 11.015 2.570 1.00 0.00 H new ATOM 0 HA SER A 189 9.580 10.326 -0.237 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.193 8.499 0.798 1.00 0.00 H new ATOM 0 HB3 SER A 189 9.917 8.295 1.038 1.00 0.00 H new ATOM 0 HG SER A 189 8.713 7.958 2.990 1.00 0.00 H new ATOM 48 N SER A 190 7.122 11.020 -0.011 1.00 0.00 N ATOM 49 CA SER A 190 5.857 11.746 0.002 1.00 0.00 C ATOM 50 C SER A 190 4.783 10.980 -0.765 1.00 0.00 C ATOM 51 O SER A 190 5.088 10.150 -1.620 1.00 0.00 O ATOM 52 CB SER A 190 6.038 13.139 -0.605 1.00 0.00 C ATOM 53 OG SER A 190 4.801 13.661 -1.059 1.00 0.00 O ATOM 0 H SER A 190 7.247 10.406 -0.815 1.00 0.00 H new ATOM 0 HA SER A 190 5.535 11.848 1.038 1.00 0.00 H new ATOM 0 HB2 SER A 190 6.469 13.810 0.138 1.00 0.00 H new ATOM 0 HB3 SER A 190 6.742 13.089 -1.436 1.00 0.00 H new ATOM 0 HG SER A 190 4.943 14.552 -1.441 1.00 0.00 H new ATOM 59 N GLY A 191 3.523 11.266 -0.451 1.00 0.00 N ATOM 60 CA GLY A 191 2.422 10.596 -1.118 1.00 0.00 C ATOM 61 C GLY A 191 1.656 9.675 -0.190 1.00 0.00 C ATOM 62 O GLY A 191 2.086 9.416 0.933 1.00 0.00 O ATOM 0 H GLY A 191 3.245 11.950 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 191 1.741 11.342 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 191 2.807 10.020 -1.959 1.00 0.00 H new ATOM 66 N GLY A 192 0.515 9.179 -0.660 1.00 0.00 N ATOM 67 CA GLY A 192 -0.296 8.288 0.150 1.00 0.00 C ATOM 68 C GLY A 192 -1.743 8.733 0.229 1.00 0.00 C ATOM 69 O GLY A 192 -2.271 8.955 1.318 1.00 0.00 O ATOM 0 H GLY A 192 0.138 9.378 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -0.251 7.282 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 192 0.121 8.236 1.156 1.00 0.00 H new ATOM 73 N GLU A 193 -2.385 8.864 -0.927 1.00 0.00 N ATOM 74 CA GLU A 193 -3.779 9.288 -0.983 1.00 0.00 C ATOM 75 C GLU A 193 -4.706 8.087 -1.153 1.00 0.00 C ATOM 76 O GLU A 193 -5.856 8.110 -0.716 1.00 0.00 O ATOM 77 CB GLU A 193 -3.989 10.275 -2.133 1.00 0.00 C ATOM 78 CG GLU A 193 -4.060 11.725 -1.684 1.00 0.00 C ATOM 79 CD GLU A 193 -4.205 12.689 -2.846 1.00 0.00 C ATOM 80 OE1 GLU A 193 -3.231 12.847 -3.611 1.00 0.00 O ATOM 81 OE2 GLU A 193 -5.293 13.285 -2.989 1.00 0.00 O ATOM 0 H GLU A 193 -1.962 8.683 -1.837 1.00 0.00 H new ATOM 0 HA GLU A 193 -4.020 9.782 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -3.175 10.164 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -4.910 10.020 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.904 11.850 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -3.159 11.972 -1.122 1.00 0.00 H new ATOM 88 N LYS A 194 -4.196 7.040 -1.792 1.00 0.00 N ATOM 89 CA LYS A 194 -4.976 5.829 -2.021 1.00 0.00 C ATOM 90 C LYS A 194 -5.429 5.216 -0.700 1.00 0.00 C ATOM 91 O LYS A 194 -4.826 5.432 0.352 1.00 0.00 O ATOM 92 CB LYS A 194 -4.153 4.810 -2.812 1.00 0.00 C ATOM 93 CG LYS A 194 -4.245 4.992 -4.317 1.00 0.00 C ATOM 94 CD LYS A 194 -3.858 6.401 -4.733 1.00 0.00 C ATOM 95 CE LYS A 194 -3.398 6.448 -6.182 1.00 0.00 C ATOM 96 NZ LYS A 194 -4.145 7.468 -6.969 1.00 0.00 N ATOM 0 H LYS A 194 -3.246 7.005 -2.161 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.860 6.100 -2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -3.109 4.884 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.489 3.806 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -3.592 4.273 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -5.261 4.780 -4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -4.710 7.068 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -3.061 6.767 -4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -2.332 6.672 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -3.533 5.467 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -3.802 7.469 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -5.160 7.241 -6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -3.996 8.408 -6.550 1.00 0.00 H new ATOM 110 N PRO A 195 -6.516 4.433 -0.752 1.00 0.00 N ATOM 111 CA PRO A 195 -7.073 3.771 0.432 1.00 0.00 C ATOM 112 C PRO A 195 -6.172 2.654 0.949 1.00 0.00 C ATOM 113 O PRO A 195 -6.212 2.308 2.130 1.00 0.00 O ATOM 114 CB PRO A 195 -8.399 3.197 -0.073 1.00 0.00 C ATOM 115 CG PRO A 195 -8.202 3.020 -1.539 1.00 0.00 C ATOM 116 CD PRO A 195 -7.286 4.131 -1.971 1.00 0.00 C ATOM 0 HA PRO A 195 -7.182 4.459 1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -8.630 2.249 0.413 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -9.228 3.873 0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -7.765 2.046 -1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -9.153 3.070 -2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -6.637 3.821 -2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -7.845 5.000 -2.319 1.00 0.00 H new ATOM 124 N TYR A 196 -5.361 2.095 0.058 1.00 0.00 N ATOM 125 CA TYR A 196 -4.452 1.015 0.425 1.00 0.00 C ATOM 126 C TYR A 196 -3.138 1.570 0.966 1.00 0.00 C ATOM 127 O TYR A 196 -2.290 2.039 0.207 1.00 0.00 O ATOM 128 CB TYR A 196 -4.180 0.117 -0.783 1.00 0.00 C ATOM 129 CG TYR A 196 -5.417 -0.198 -1.594 1.00 0.00 C ATOM 130 CD1 TYR A 196 -6.223 -1.284 -1.273 1.00 0.00 C ATOM 131 CD2 TYR A 196 -5.778 0.588 -2.681 1.00 0.00 C ATOM 132 CE1 TYR A 196 -7.353 -1.576 -2.012 1.00 0.00 C ATOM 133 CE2 TYR A 196 -6.908 0.304 -3.424 1.00 0.00 C ATOM 134 CZ TYR A 196 -7.692 -0.779 -3.085 1.00 0.00 C ATOM 135 OH TYR A 196 -8.817 -1.066 -3.824 1.00 0.00 O ATOM 0 H TYR A 196 -5.314 2.371 -0.923 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.927 0.425 1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -3.447 0.602 -1.428 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -3.734 -0.816 -0.438 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -5.962 -1.910 -0.432 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.165 1.436 -2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -7.968 -2.424 -1.751 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -7.176 0.926 -4.265 1.00 0.00 H new ATOM 0 HH TYR A 196 -8.913 -0.407 -4.543 1.00 0.00 H new ATOM 145 N ARG A 197 -2.977 1.512 2.284 1.00 0.00 N ATOM 146 CA ARG A 197 -1.768 2.009 2.929 1.00 0.00 C ATOM 147 C ARG A 197 -1.358 1.104 4.087 1.00 0.00 C ATOM 148 O ARG A 197 -1.998 1.097 5.140 1.00 0.00 O ATOM 149 CB ARG A 197 -1.983 3.437 3.435 1.00 0.00 C ATOM 150 CG ARG A 197 -0.753 4.043 4.090 1.00 0.00 C ATOM 151 CD ARG A 197 -1.132 4.993 5.215 1.00 0.00 C ATOM 152 NE ARG A 197 -1.118 6.388 4.782 1.00 0.00 N ATOM 153 CZ ARG A 197 -1.703 7.372 5.455 1.00 0.00 C ATOM 154 NH1 ARG A 197 -2.345 7.116 6.587 1.00 0.00 N ATOM 155 NH2 ARG A 197 -1.647 8.616 4.996 1.00 0.00 N ATOM 0 H ARG A 197 -3.669 1.126 2.926 1.00 0.00 H new ATOM 0 HA ARG A 197 -0.967 2.010 2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -2.287 4.067 2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -2.804 3.440 4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -0.119 3.248 4.482 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -0.168 4.578 3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -2.125 4.738 5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -0.439 4.865 6.047 1.00 0.00 H new ATOM 0 HE ARG A 197 -0.632 6.619 3.915 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -2.390 6.161 6.943 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -2.793 7.874 7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -1.154 8.817 4.126 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -2.097 9.371 5.514 1.00 0.00 H new ATOM 169 N CYS A 198 -0.289 0.342 3.887 1.00 0.00 N ATOM 170 CA CYS A 198 0.206 -0.567 4.913 1.00 0.00 C ATOM 171 C CYS A 198 0.701 0.205 6.132 1.00 0.00 C ATOM 172 O CYS A 198 1.496 1.137 6.009 1.00 0.00 O ATOM 173 CB CYS A 198 1.335 -1.435 4.353 1.00 0.00 C ATOM 174 SG CYS A 198 1.749 -2.876 5.389 1.00 0.00 S ATOM 0 H CYS A 198 0.252 0.336 3.022 1.00 0.00 H new ATOM 0 HA CYS A 198 -0.619 -1.209 5.222 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.052 -1.784 3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.226 -0.819 4.232 1.00 0.00 H new ATOM 179 N ASP A 199 0.224 -0.188 7.308 1.00 0.00 N ATOM 180 CA ASP A 199 0.618 0.466 8.550 1.00 0.00 C ATOM 181 C ASP A 199 1.847 -0.208 9.153 1.00 0.00 C ATOM 182 O ASP A 199 2.464 0.320 10.077 1.00 0.00 O ATOM 183 CB ASP A 199 -0.536 0.441 9.553 1.00 0.00 C ATOM 184 CG ASP A 199 -1.346 1.722 9.537 1.00 0.00 C ATOM 185 OD1 ASP A 199 -0.736 2.808 9.461 1.00 0.00 O ATOM 186 OD2 ASP A 199 -2.591 1.638 9.600 1.00 0.00 O ATOM 0 H ASP A 199 -0.436 -0.956 7.427 1.00 0.00 H new ATOM 0 HA ASP A 199 0.869 1.502 8.322 1.00 0.00 H new ATOM 0 HB2 ASP A 199 -1.190 -0.402 9.329 1.00 0.00 H new ATOM 0 HB3 ASP A 199 -0.139 0.278 10.555 1.00 0.00 H new ATOM 191 N GLN A 200 2.194 -1.376 8.624 1.00 0.00 N ATOM 192 CA GLN A 200 3.348 -2.123 9.111 1.00 0.00 C ATOM 193 C GLN A 200 4.650 -1.459 8.674 1.00 0.00 C ATOM 194 O GLN A 200 5.628 -1.434 9.421 1.00 0.00 O ATOM 195 CB GLN A 200 3.301 -3.565 8.604 1.00 0.00 C ATOM 196 CG GLN A 200 2.011 -4.290 8.952 1.00 0.00 C ATOM 197 CD GLN A 200 1.647 -4.163 10.418 1.00 0.00 C ATOM 198 OE1 GLN A 200 2.434 -4.513 11.297 1.00 0.00 O ATOM 199 NE2 GLN A 200 0.448 -3.661 10.689 1.00 0.00 N ATOM 0 H GLN A 200 1.693 -1.826 7.858 1.00 0.00 H new ATOM 0 HA GLN A 200 3.312 -2.128 10.200 1.00 0.00 H new ATOM 0 HB2 GLN A 200 3.427 -3.565 7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 200 4.143 -4.116 9.023 1.00 0.00 H new ATOM 0 HG2 GLN A 200 1.199 -3.891 8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 200 2.111 -5.345 8.697 1.00 0.00 H new ATOM 0 HE21 GLN A 200 -0.173 -3.384 9.928 1.00 0.00 H new ATOM 0 HE22 GLN A 200 0.148 -3.553 11.658 1.00 0.00 H new ATOM 208 N CYS A 201 4.655 -0.923 7.458 1.00 0.00 N ATOM 209 CA CYS A 201 5.836 -0.260 6.919 1.00 0.00 C ATOM 210 C CYS A 201 5.535 1.197 6.580 1.00 0.00 C ATOM 211 O CYS A 201 6.401 2.063 6.695 1.00 0.00 O ATOM 212 CB CYS A 201 6.334 -0.993 5.672 1.00 0.00 C ATOM 213 SG CYS A 201 5.113 -1.076 4.322 1.00 0.00 S ATOM 0 H CYS A 201 3.854 -0.935 6.827 1.00 0.00 H new ATOM 0 HA CYS A 201 6.615 -0.284 7.681 1.00 0.00 H new ATOM 0 HB2 CYS A 201 7.232 -0.496 5.305 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.622 -2.007 5.950 1.00 0.00 H new ATOM 218 N GLY A 202 4.301 1.458 6.162 1.00 0.00 N ATOM 219 CA GLY A 202 3.907 2.811 5.812 1.00 0.00 C ATOM 220 C GLY A 202 3.953 3.060 4.318 1.00 0.00 C ATOM 221 O GLY A 202 4.347 4.138 3.872 1.00 0.00 O ATOM 0 H GLY A 202 3.567 0.758 6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.897 2.998 6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 202 4.565 3.519 6.316 1.00 0.00 H new ATOM 225 N LYS A 203 3.550 2.061 3.540 1.00 0.00 N ATOM 226 CA LYS A 203 3.547 2.176 2.087 1.00 0.00 C ATOM 227 C LYS A 203 2.156 2.532 1.572 1.00 0.00 C ATOM 228 O LYS A 203 1.215 2.684 2.351 1.00 0.00 O ATOM 229 CB LYS A 203 4.017 0.866 1.450 1.00 0.00 C ATOM 230 CG LYS A 203 5.501 0.846 1.127 1.00 0.00 C ATOM 231 CD LYS A 203 5.767 0.226 -0.235 1.00 0.00 C ATOM 232 CE LYS A 203 7.148 0.596 -0.755 1.00 0.00 C ATOM 233 NZ LYS A 203 7.939 -0.608 -1.133 1.00 0.00 N ATOM 0 H LYS A 203 3.221 1.162 3.892 1.00 0.00 H new ATOM 0 HA LYS A 203 4.234 2.976 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.789 0.041 2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.452 0.694 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 203 5.892 1.863 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 203 6.034 0.284 1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 203 5.682 -0.858 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 203 5.009 0.561 -0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 203 7.047 1.251 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 203 7.685 1.158 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 8.873 -0.314 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 8.058 -1.221 -0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 7.439 -1.131 -1.880 1.00 0.00 H new ATOM 247 N ALA A 204 2.032 2.663 0.255 1.00 0.00 N ATOM 248 CA ALA A 204 0.755 2.998 -0.363 1.00 0.00 C ATOM 249 C ALA A 204 0.596 2.296 -1.707 1.00 0.00 C ATOM 250 O ALA A 204 1.536 2.229 -2.499 1.00 0.00 O ATOM 251 CB ALA A 204 0.631 4.505 -0.533 1.00 0.00 C ATOM 0 H ALA A 204 2.801 2.542 -0.404 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.042 2.651 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.327 4.741 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.692 4.987 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 204 1.440 4.867 -1.168 1.00 0.00 H new ATOM 257 N PHE A 205 -0.600 1.774 -1.958 1.00 0.00 N ATOM 258 CA PHE A 205 -0.883 1.076 -3.207 1.00 0.00 C ATOM 259 C PHE A 205 -2.201 1.551 -3.810 1.00 0.00 C ATOM 260 O PHE A 205 -3.013 2.183 -3.134 1.00 0.00 O ATOM 261 CB PHE A 205 -0.932 -0.435 -2.971 1.00 0.00 C ATOM 262 CG PHE A 205 0.181 -0.942 -2.098 1.00 0.00 C ATOM 263 CD1 PHE A 205 0.063 -0.918 -0.718 1.00 0.00 C ATOM 264 CD2 PHE A 205 1.345 -1.442 -2.659 1.00 0.00 C ATOM 265 CE1 PHE A 205 1.084 -1.384 0.088 1.00 0.00 C ATOM 266 CE2 PHE A 205 2.370 -1.910 -1.858 1.00 0.00 C ATOM 267 CZ PHE A 205 2.240 -1.880 -0.483 1.00 0.00 C ATOM 0 H PHE A 205 -1.389 1.821 -1.313 1.00 0.00 H new ATOM 0 HA PHE A 205 -0.081 1.302 -3.910 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -1.887 -0.692 -2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -0.890 -0.946 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -0.838 -0.530 -0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 205 1.453 -1.466 -3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 205 0.978 -1.361 1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 205 3.272 -2.299 -2.307 1.00 0.00 H new ATOM 0 HZ PHE A 205 3.040 -2.244 0.144 1.00 0.00 H new ATOM 277 N SER A 206 -2.407 1.242 -5.086 1.00 0.00 N ATOM 278 CA SER A 206 -3.625 1.640 -5.782 1.00 0.00 C ATOM 279 C SER A 206 -4.592 0.466 -5.901 1.00 0.00 C ATOM 280 O SER A 206 -5.794 0.656 -6.082 1.00 0.00 O ATOM 281 CB SER A 206 -3.288 2.181 -7.173 1.00 0.00 C ATOM 282 OG SER A 206 -2.000 2.772 -7.193 1.00 0.00 O ATOM 0 H SER A 206 -1.746 0.717 -5.659 1.00 0.00 H new ATOM 0 HA SER A 206 -4.106 2.426 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 206 -3.331 1.371 -7.902 1.00 0.00 H new ATOM 0 HB3 SER A 206 -4.034 2.918 -7.470 1.00 0.00 H new ATOM 0 HG SER A 206 -1.808 3.108 -8.093 1.00 0.00 H new ATOM 288 N GLN A 207 -4.057 -0.746 -5.798 1.00 0.00 N ATOM 289 CA GLN A 207 -4.872 -1.951 -5.894 1.00 0.00 C ATOM 290 C GLN A 207 -4.716 -2.815 -4.647 1.00 0.00 C ATOM 291 O GLN A 207 -3.613 -2.977 -4.124 1.00 0.00 O ATOM 292 CB GLN A 207 -4.486 -2.755 -7.137 1.00 0.00 C ATOM 293 CG GLN A 207 -5.381 -2.486 -8.337 1.00 0.00 C ATOM 294 CD GLN A 207 -6.751 -3.120 -8.197 1.00 0.00 C ATOM 295 OE1 GLN A 207 -6.893 -4.196 -7.616 1.00 0.00 O ATOM 296 NE2 GLN A 207 -7.768 -2.455 -8.731 1.00 0.00 N ATOM 0 H GLN A 207 -3.063 -0.920 -5.648 1.00 0.00 H new ATOM 0 HA GLN A 207 -5.916 -1.648 -5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 207 -3.455 -2.523 -7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 207 -4.522 -3.818 -6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 207 -5.494 -1.410 -8.467 1.00 0.00 H new ATOM 0 HG3 GLN A 207 -4.899 -2.867 -9.238 1.00 0.00 H new ATOM 0 HE21 GLN A 207 -7.604 -1.566 -9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 207 -8.713 -2.833 -8.669 1.00 0.00 H new ATOM 305 N LYS A 208 -5.827 -3.368 -4.174 1.00 0.00 N ATOM 306 CA LYS A 208 -5.815 -4.217 -2.988 1.00 0.00 C ATOM 307 C LYS A 208 -4.868 -5.399 -3.174 1.00 0.00 C ATOM 308 O LYS A 208 -3.943 -5.595 -2.388 1.00 0.00 O ATOM 309 CB LYS A 208 -7.227 -4.724 -2.684 1.00 0.00 C ATOM 310 CG LYS A 208 -7.475 -4.983 -1.208 1.00 0.00 C ATOM 311 CD LYS A 208 -6.996 -6.365 -0.797 1.00 0.00 C ATOM 312 CE LYS A 208 -6.892 -6.492 0.715 1.00 0.00 C ATOM 313 NZ LYS A 208 -8.119 -7.093 1.307 1.00 0.00 N ATOM 0 H LYS A 208 -6.748 -3.244 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 208 -5.461 -3.619 -2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -7.952 -3.993 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -7.401 -5.645 -3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -6.962 -4.227 -0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.540 -4.887 -0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -7.684 -7.119 -1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -6.023 -6.563 -1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -6.028 -7.106 0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -6.723 -5.508 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -8.008 -7.162 2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -8.940 -6.494 1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -8.267 -8.043 0.910 1.00 0.00 H new ATOM 327 N GLY A 209 -5.106 -6.182 -4.222 1.00 0.00 N ATOM 328 CA GLY A 209 -4.265 -7.334 -4.493 1.00 0.00 C ATOM 329 C GLY A 209 -2.788 -7.003 -4.417 1.00 0.00 C ATOM 330 O GLY A 209 -2.010 -7.743 -3.815 1.00 0.00 O ATOM 0 H GLY A 209 -5.865 -6.039 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -4.495 -8.124 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -4.496 -7.724 -5.484 1.00 0.00 H new ATOM 334 N SER A 210 -2.400 -5.890 -5.031 1.00 0.00 N ATOM 335 CA SER A 210 -1.004 -5.466 -5.035 1.00 0.00 C ATOM 336 C SER A 210 -0.440 -5.441 -3.617 1.00 0.00 C ATOM 337 O SER A 210 0.717 -5.797 -3.391 1.00 0.00 O ATOM 338 CB SER A 210 -0.872 -4.083 -5.674 1.00 0.00 C ATOM 339 OG SER A 210 -1.793 -3.922 -6.738 1.00 0.00 O ATOM 0 H SER A 210 -3.032 -5.266 -5.532 1.00 0.00 H new ATOM 0 HA SER A 210 -0.432 -6.185 -5.622 1.00 0.00 H new ATOM 0 HB2 SER A 210 -1.043 -3.314 -4.921 1.00 0.00 H new ATOM 0 HB3 SER A 210 0.144 -3.946 -6.045 1.00 0.00 H new ATOM 0 HG SER A 210 -1.470 -3.227 -7.348 1.00 0.00 H new ATOM 345 N LEU A 211 -1.265 -5.017 -2.667 1.00 0.00 N ATOM 346 CA LEU A 211 -0.850 -4.944 -1.270 1.00 0.00 C ATOM 347 C LEU A 211 -0.756 -6.337 -0.657 1.00 0.00 C ATOM 348 O LEU A 211 0.062 -6.581 0.232 1.00 0.00 O ATOM 349 CB LEU A 211 -1.833 -4.088 -0.469 1.00 0.00 C ATOM 350 CG LEU A 211 -1.799 -4.268 1.048 1.00 0.00 C ATOM 351 CD1 LEU A 211 -0.430 -3.900 1.599 1.00 0.00 C ATOM 352 CD2 LEU A 211 -2.885 -3.432 1.710 1.00 0.00 C ATOM 0 H LEU A 211 -2.225 -4.718 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 211 0.137 -4.483 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.638 -3.040 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -2.842 -4.307 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 211 -1.989 -5.317 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.425 -4.034 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.328 -4.542 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -0.210 -2.859 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -2.845 -3.573 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -2.727 -2.379 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -3.861 -3.744 1.339 1.00 0.00 H new ATOM 364 N ILE A 212 -1.595 -7.248 -1.138 1.00 0.00 N ATOM 365 CA ILE A 212 -1.604 -8.618 -0.639 1.00 0.00 C ATOM 366 C ILE A 212 -0.274 -9.311 -0.915 1.00 0.00 C ATOM 367 O ILE A 212 0.150 -10.187 -0.161 1.00 0.00 O ATOM 368 CB ILE A 212 -2.740 -9.441 -1.273 1.00 0.00 C ATOM 369 CG1 ILE A 212 -4.065 -8.680 -1.178 1.00 0.00 C ATOM 370 CG2 ILE A 212 -2.853 -10.798 -0.595 1.00 0.00 C ATOM 371 CD1 ILE A 212 -5.251 -9.465 -1.692 1.00 0.00 C ATOM 0 H ILE A 212 -2.278 -7.062 -1.873 1.00 0.00 H new ATOM 0 HA ILE A 212 -1.766 -8.561 0.437 1.00 0.00 H new ATOM 0 HB ILE A 212 -2.509 -9.601 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -4.244 -8.407 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -3.982 -7.751 -1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -3.661 -11.368 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -1.915 -11.341 -0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.065 -10.659 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -6.155 -8.864 -1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 212 -5.094 -9.716 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -5.360 -10.381 -1.112 1.00 0.00 H new ATOM 383 N VAL A 213 0.381 -8.912 -2.001 1.00 0.00 N ATOM 384 CA VAL A 213 1.665 -9.493 -2.376 1.00 0.00 C ATOM 385 C VAL A 213 2.802 -8.884 -1.562 1.00 0.00 C ATOM 386 O VAL A 213 3.930 -9.377 -1.587 1.00 0.00 O ATOM 387 CB VAL A 213 1.956 -9.292 -3.875 1.00 0.00 C ATOM 388 CG1 VAL A 213 3.184 -10.086 -4.292 1.00 0.00 C ATOM 389 CG2 VAL A 213 0.747 -9.687 -4.709 1.00 0.00 C ATOM 0 H VAL A 213 0.044 -8.189 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 213 1.603 -10.561 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 213 2.160 -8.236 -4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 213 3.374 -9.931 -5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 213 4.047 -9.751 -3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 213 3.013 -11.146 -4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 213 0.970 -9.539 -5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 213 0.510 -10.736 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -0.106 -9.070 -4.428 1.00 0.00 H new ATOM 399 N HIS A 214 2.497 -7.810 -0.841 1.00 0.00 N ATOM 400 CA HIS A 214 3.494 -7.134 -0.019 1.00 0.00 C ATOM 401 C HIS A 214 3.465 -7.661 1.413 1.00 0.00 C ATOM 402 O HIS A 214 4.498 -7.727 2.080 1.00 0.00 O ATOM 403 CB HIS A 214 3.251 -5.624 -0.023 1.00 0.00 C ATOM 404 CG HIS A 214 3.725 -4.937 1.220 1.00 0.00 C ATOM 405 ND1 HIS A 214 5.041 -4.581 1.428 1.00 0.00 N ATOM 406 CD2 HIS A 214 3.051 -4.539 2.324 1.00 0.00 C ATOM 407 CE1 HIS A 214 5.156 -3.996 2.606 1.00 0.00 C ATOM 408 NE2 HIS A 214 3.962 -3.957 3.170 1.00 0.00 N ATOM 0 H HIS A 214 1.568 -7.389 -0.809 1.00 0.00 H new ATOM 0 HA HIS A 214 4.477 -7.338 -0.443 1.00 0.00 H new ATOM 0 HB2 HIS A 214 3.754 -5.186 -0.885 1.00 0.00 H new ATOM 0 HB3 HIS A 214 2.185 -5.436 -0.148 1.00 0.00 H new ATOM 0 HD1 HIS A 214 5.806 -4.744 0.774 1.00 0.00 H new ATOM 0 HD2 HIS A 214 1.993 -4.657 2.506 1.00 0.00 H new ATOM 0 HE1 HIS A 214 6.070 -3.614 3.035 1.00 0.00 H new ATOM 416 N ILE A 215 2.278 -8.033 1.877 1.00 0.00 N ATOM 417 CA ILE A 215 2.116 -8.555 3.229 1.00 0.00 C ATOM 418 C ILE A 215 2.959 -9.808 3.439 1.00 0.00 C ATOM 419 O ILE A 215 3.251 -10.188 4.573 1.00 0.00 O ATOM 420 CB ILE A 215 0.642 -8.884 3.532 1.00 0.00 C ATOM 421 CG1 ILE A 215 -0.229 -7.640 3.349 1.00 0.00 C ATOM 422 CG2 ILE A 215 0.502 -9.433 4.944 1.00 0.00 C ATOM 423 CD1 ILE A 215 -1.703 -7.950 3.206 1.00 0.00 C ATOM 0 H ILE A 215 1.414 -7.983 1.338 1.00 0.00 H new ATOM 0 HA ILE A 215 2.453 -7.775 3.911 1.00 0.00 H new ATOM 0 HB ILE A 215 0.303 -9.647 2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.086 -6.978 4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.107 -7.098 2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -0.545 -9.661 5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 215 1.096 -10.342 5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 215 0.855 -8.690 5.660 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -2.260 -7.021 3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -1.858 -8.587 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -2.055 -8.465 4.100 1.00 0.00 H new ATOM 435 N ARG A 216 3.348 -10.444 2.340 1.00 0.00 N ATOM 436 CA ARG A 216 4.159 -11.654 2.404 1.00 0.00 C ATOM 437 C ARG A 216 5.436 -11.412 3.203 1.00 0.00 C ATOM 438 O ARG A 216 6.018 -12.342 3.760 1.00 0.00 O ATOM 439 CB ARG A 216 4.509 -12.134 0.994 1.00 0.00 C ATOM 440 CG ARG A 216 3.315 -12.192 0.056 1.00 0.00 C ATOM 441 CD ARG A 216 3.180 -13.562 -0.590 1.00 0.00 C ATOM 442 NE ARG A 216 3.975 -13.673 -1.810 1.00 0.00 N ATOM 443 CZ ARG A 216 3.946 -14.731 -2.613 1.00 0.00 C ATOM 444 NH1 ARG A 216 3.165 -15.764 -2.326 1.00 0.00 N ATOM 445 NH2 ARG A 216 4.699 -14.758 -3.705 1.00 0.00 N ATOM 0 H ARG A 216 3.115 -10.142 1.394 1.00 0.00 H new ATOM 0 HA ARG A 216 3.577 -12.425 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 216 5.262 -11.469 0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 216 4.958 -13.125 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 216 2.405 -11.958 0.609 1.00 0.00 H new ATOM 0 HG3 ARG A 216 3.422 -11.432 -0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 216 3.494 -14.329 0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 216 2.132 -13.752 -0.822 1.00 0.00 H new ATOM 0 HE ARG A 216 4.586 -12.895 -2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 216 2.585 -15.747 -1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 216 3.145 -16.575 -2.944 1.00 0.00 H new ATOM 0 HH21 ARG A 216 5.301 -13.966 -3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 216 4.676 -15.571 -4.321 1.00 0.00 H new ATOM 459 N VAL A 217 5.867 -10.155 3.253 1.00 0.00 N ATOM 460 CA VAL A 217 7.074 -9.789 3.983 1.00 0.00 C ATOM 461 C VAL A 217 6.768 -9.524 5.453 1.00 0.00 C ATOM 462 O VAL A 217 7.643 -9.645 6.312 1.00 0.00 O ATOM 463 CB VAL A 217 7.741 -8.541 3.376 1.00 0.00 C ATOM 464 CG1 VAL A 217 7.973 -8.731 1.885 1.00 0.00 C ATOM 465 CG2 VAL A 217 6.896 -7.304 3.640 1.00 0.00 C ATOM 0 H VAL A 217 5.397 -9.373 2.796 1.00 0.00 H new ATOM 0 HA VAL A 217 7.760 -10.633 3.904 1.00 0.00 H new ATOM 0 HB VAL A 217 8.710 -8.399 3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 217 8.445 -7.839 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 217 8.622 -9.592 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 217 7.018 -8.899 1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 217 7.382 -6.431 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 217 5.911 -7.433 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 217 6.788 -7.160 4.715 1.00 0.00 H new ATOM 475 N HIS A 218 5.521 -9.164 5.737 1.00 0.00 N ATOM 476 CA HIS A 218 5.098 -8.882 7.104 1.00 0.00 C ATOM 477 C HIS A 218 4.531 -10.135 7.766 1.00 0.00 C ATOM 478 O HIS A 218 5.182 -10.755 8.607 1.00 0.00 O ATOM 479 CB HIS A 218 4.053 -7.766 7.118 1.00 0.00 C ATOM 480 CG HIS A 218 4.608 -6.422 6.761 1.00 0.00 C ATOM 481 ND1 HIS A 218 5.684 -5.855 7.412 1.00 0.00 N ATOM 482 CD2 HIS A 218 4.232 -5.532 5.814 1.00 0.00 C ATOM 483 CE1 HIS A 218 5.944 -4.673 6.881 1.00 0.00 C ATOM 484 NE2 HIS A 218 5.077 -4.453 5.909 1.00 0.00 N ATOM 0 H HIS A 218 4.785 -9.061 5.038 1.00 0.00 H new ATOM 0 HA HIS A 218 5.972 -8.557 7.669 1.00 0.00 H new ATOM 0 HB2 HIS A 218 3.255 -8.018 6.419 1.00 0.00 H new ATOM 0 HB3 HIS A 218 3.603 -7.713 8.110 1.00 0.00 H new ATOM 0 HD1 HIS A 218 6.198 -6.281 8.183 1.00 0.00 H new ATOM 0 HD2 HIS A 218 3.418 -5.648 5.113 1.00 0.00 H new ATOM 0 HE1 HIS A 218 6.731 -4.001 7.189 1.00 0.00 H new ATOM 492 N THR A 219 3.312 -10.502 7.380 1.00 0.00 N ATOM 493 CA THR A 219 2.657 -11.678 7.937 1.00 0.00 C ATOM 494 C THR A 219 2.707 -12.849 6.962 1.00 0.00 C ATOM 495 O THR A 219 2.741 -12.657 5.747 1.00 0.00 O ATOM 496 CB THR A 219 1.187 -11.386 8.294 1.00 0.00 C ATOM 497 OG1 THR A 219 0.984 -9.974 8.415 1.00 0.00 O ATOM 498 CG2 THR A 219 0.800 -12.072 9.596 1.00 0.00 C ATOM 0 H THR A 219 2.760 -10.001 6.684 1.00 0.00 H new ATOM 0 HA THR A 219 3.199 -11.941 8.845 1.00 0.00 H new ATOM 0 HB THR A 219 0.557 -11.776 7.495 1.00 0.00 H new ATOM 0 HG1 THR A 219 0.047 -9.796 8.640 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.242 -11.851 9.828 1.00 0.00 H new ATOM 0 HG22 THR A 219 0.928 -13.149 9.492 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.436 -11.707 10.403 1.00 0.00 H new ATOM 506 N GLY A 220 2.712 -14.064 7.503 1.00 0.00 N ATOM 507 CA GLY A 220 2.759 -15.248 6.665 1.00 0.00 C ATOM 508 C GLY A 220 1.693 -15.238 5.588 1.00 0.00 C ATOM 509 O GLY A 220 0.522 -15.502 5.861 1.00 0.00 O ATOM 0 H GLY A 220 2.684 -14.249 8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 220 3.742 -15.321 6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.635 -16.135 7.287 1.00 0.00 H new ATOM 513 N SER A 221 2.098 -14.932 4.359 1.00 0.00 N ATOM 514 CA SER A 221 1.168 -14.883 3.238 1.00 0.00 C ATOM 515 C SER A 221 1.486 -15.974 2.220 1.00 0.00 C ATOM 516 O SER A 221 2.420 -15.848 1.429 1.00 0.00 O ATOM 517 CB SER A 221 1.220 -13.511 2.564 1.00 0.00 C ATOM 518 OG SER A 221 -0.076 -13.074 2.194 1.00 0.00 O ATOM 0 H SER A 221 3.064 -14.714 4.115 1.00 0.00 H new ATOM 0 HA SER A 221 0.163 -15.052 3.625 1.00 0.00 H new ATOM 0 HB2 SER A 221 1.672 -12.787 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 221 1.856 -13.561 1.680 1.00 0.00 H new ATOM 0 HG SER A 221 -0.015 -12.194 1.767 1.00 0.00 H new ATOM 524 N GLY A 222 0.701 -17.047 2.247 1.00 0.00 N ATOM 525 CA GLY A 222 0.914 -18.146 1.323 1.00 0.00 C ATOM 526 C GLY A 222 2.269 -18.800 1.503 1.00 0.00 C ATOM 527 O GLY A 222 3.153 -18.271 2.177 1.00 0.00 O ATOM 0 H GLY A 222 -0.079 -17.175 2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 222 0.132 -18.892 1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 222 0.824 -17.780 0.300 1.00 0.00 H new ATOM 531 N PRO A 223 2.446 -19.981 0.892 1.00 0.00 N ATOM 532 CA PRO A 223 3.701 -20.735 0.975 1.00 0.00 C ATOM 533 C PRO A 223 4.835 -20.058 0.212 1.00 0.00 C ATOM 534 O PRO A 223 4.620 -19.072 -0.493 1.00 0.00 O ATOM 535 CB PRO A 223 3.350 -22.079 0.331 1.00 0.00 C ATOM 536 CG PRO A 223 2.216 -21.775 -0.585 1.00 0.00 C ATOM 537 CD PRO A 223 1.436 -20.671 0.072 1.00 0.00 C ATOM 0 HA PRO A 223 4.060 -20.819 2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 223 4.200 -22.491 -0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 223 3.066 -22.816 1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 223 2.579 -21.466 -1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 223 1.592 -22.655 -0.739 1.00 0.00 H new ATOM 0 HD2 PRO A 223 0.990 -20.002 -0.663 1.00 0.00 H new ATOM 0 HD3 PRO A 223 0.622 -21.062 0.682 1.00 0.00 H new ATOM 545 N SER A 224 6.042 -20.595 0.357 1.00 0.00 N ATOM 546 CA SER A 224 7.211 -20.041 -0.316 1.00 0.00 C ATOM 547 C SER A 224 8.277 -21.112 -0.523 1.00 0.00 C ATOM 548 O SER A 224 8.372 -22.067 0.248 1.00 0.00 O ATOM 549 CB SER A 224 7.789 -18.879 0.494 1.00 0.00 C ATOM 550 OG SER A 224 6.830 -17.850 0.666 1.00 0.00 O ATOM 0 H SER A 224 6.236 -21.413 0.934 1.00 0.00 H new ATOM 0 HA SER A 224 6.897 -19.673 -1.293 1.00 0.00 H new ATOM 0 HB2 SER A 224 8.119 -19.239 1.468 1.00 0.00 H new ATOM 0 HB3 SER A 224 8.668 -18.480 -0.013 1.00 0.00 H new ATOM 0 HG SER A 224 7.224 -17.120 1.188 1.00 0.00 H new ATOM 556 N SER A 225 9.079 -20.946 -1.570 1.00 0.00 N ATOM 557 CA SER A 225 10.137 -21.900 -1.882 1.00 0.00 C ATOM 558 C SER A 225 11.297 -21.764 -0.901 1.00 0.00 C ATOM 559 O SER A 225 11.765 -22.751 -0.335 1.00 0.00 O ATOM 560 CB SER A 225 10.637 -21.689 -3.313 1.00 0.00 C ATOM 561 OG SER A 225 9.582 -21.837 -4.248 1.00 0.00 O ATOM 0 H SER A 225 9.016 -20.160 -2.217 1.00 0.00 H new ATOM 0 HA SER A 225 9.724 -22.905 -1.793 1.00 0.00 H new ATOM 0 HB2 SER A 225 11.073 -20.694 -3.406 1.00 0.00 H new ATOM 0 HB3 SER A 225 11.427 -22.406 -3.535 1.00 0.00 H new ATOM 0 HG SER A 225 9.926 -21.696 -5.155 1.00 0.00 H new ATOM 567 N GLY A 226 11.757 -20.532 -0.705 1.00 0.00 N ATOM 568 CA GLY A 226 12.859 -20.288 0.207 1.00 0.00 C ATOM 569 C GLY A 226 13.670 -19.066 -0.176 1.00 0.00 C ATOM 570 O GLY A 226 13.517 -18.023 0.456 1.00 0.00 O ATOM 0 H GLY A 226 11.386 -19.699 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 226 12.469 -20.159 1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 226 13.511 -21.161 0.226 1.00 0.00 H new TER 574 GLY A 226 HETATM 575 ZN ZN A 301 4.046 -3.143 4.884 1.00 0.00 ZN