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 180:sc= -0.0345 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 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= -0.399 K(o=-0.4,f=-2.8!) 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= -0.302 X(o=-0.3,f=0) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 SER OG : rot 180:sc= -0.65 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 USER MOD Single : A 225 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 185 10.894 9.824 17.339 1.00 0.00 N ATOM 2 CA GLY A 185 9.546 10.359 17.271 1.00 0.00 C ATOM 3 C GLY A 185 9.332 11.236 16.054 1.00 0.00 C ATOM 4 O GLY A 185 9.814 12.368 16.003 1.00 0.00 O ATOM 0 HA2 GLY A 185 8.832 9.536 17.252 1.00 0.00 H new ATOM 0 HA3 GLY A 185 9.342 10.937 18.172 1.00 0.00 H new ATOM 8 N SER A 186 8.608 10.714 15.070 1.00 0.00 N ATOM 9 CA SER A 186 8.335 11.455 13.844 1.00 0.00 C ATOM 10 C SER A 186 6.938 11.140 13.318 1.00 0.00 C ATOM 11 O SER A 186 6.440 10.025 13.475 1.00 0.00 O ATOM 12 CB SER A 186 9.381 11.123 12.778 1.00 0.00 C ATOM 13 OG SER A 186 10.668 10.977 13.355 1.00 0.00 O ATOM 0 H SER A 186 8.199 9.780 15.098 1.00 0.00 H new ATOM 0 HA SER A 186 8.386 12.519 14.073 1.00 0.00 H new ATOM 0 HB2 SER A 186 9.102 10.203 12.265 1.00 0.00 H new ATOM 0 HB3 SER A 186 9.403 11.913 12.027 1.00 0.00 H new ATOM 0 HG SER A 186 11.319 10.764 12.654 1.00 0.00 H new ATOM 19 N SER A 187 6.311 12.131 12.691 1.00 0.00 N ATOM 20 CA SER A 187 4.970 11.961 12.144 1.00 0.00 C ATOM 21 C SER A 187 4.895 12.494 10.716 1.00 0.00 C ATOM 22 O SER A 187 4.665 13.682 10.496 1.00 0.00 O ATOM 23 CB SER A 187 3.944 12.679 13.022 1.00 0.00 C ATOM 24 OG SER A 187 4.581 13.438 14.036 1.00 0.00 O ATOM 0 H SER A 187 6.710 13.059 12.549 1.00 0.00 H new ATOM 0 HA SER A 187 4.743 10.895 12.129 1.00 0.00 H new ATOM 0 HB2 SER A 187 3.329 13.334 12.406 1.00 0.00 H new ATOM 0 HB3 SER A 187 3.275 11.948 13.477 1.00 0.00 H new ATOM 0 HG SER A 187 3.903 13.888 14.582 1.00 0.00 H new ATOM 30 N GLY A 188 5.091 11.604 9.748 1.00 0.00 N ATOM 31 CA GLY A 188 5.042 12.002 8.353 1.00 0.00 C ATOM 32 C GLY A 188 4.288 11.008 7.493 1.00 0.00 C ATOM 33 O GLY A 188 4.679 10.737 6.357 1.00 0.00 O ATOM 0 H GLY A 188 5.283 10.615 9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 188 4.567 12.980 8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 188 6.058 12.109 7.973 1.00 0.00 H new ATOM 37 N SER A 189 3.204 10.462 8.034 1.00 0.00 N ATOM 38 CA SER A 189 2.396 9.488 7.310 1.00 0.00 C ATOM 39 C SER A 189 0.935 9.924 7.259 1.00 0.00 C ATOM 40 O SER A 189 0.359 10.324 8.271 1.00 0.00 O ATOM 41 CB SER A 189 2.506 8.111 7.969 1.00 0.00 C ATOM 42 OG SER A 189 1.353 7.821 8.740 1.00 0.00 O ATOM 0 H SER A 189 2.865 10.678 8.971 1.00 0.00 H new ATOM 0 HA SER A 189 2.775 9.426 6.290 1.00 0.00 H new ATOM 0 HB2 SER A 189 2.636 7.347 7.203 1.00 0.00 H new ATOM 0 HB3 SER A 189 3.390 8.078 8.605 1.00 0.00 H new ATOM 0 HG SER A 189 1.447 6.936 9.149 1.00 0.00 H new ATOM 48 N SER A 190 0.340 9.843 6.073 1.00 0.00 N ATOM 49 CA SER A 190 -1.052 10.233 5.888 1.00 0.00 C ATOM 50 C SER A 190 -1.810 9.179 5.087 1.00 0.00 C ATOM 51 O SER A 190 -2.802 8.621 5.554 1.00 0.00 O ATOM 52 CB SER A 190 -1.135 11.586 5.178 1.00 0.00 C ATOM 53 OG SER A 190 -0.028 11.778 4.315 1.00 0.00 O ATOM 0 H SER A 190 0.801 9.511 5.226 1.00 0.00 H new ATOM 0 HA SER A 190 -1.513 10.318 6.872 1.00 0.00 H new ATOM 0 HB2 SER A 190 -2.061 11.643 4.605 1.00 0.00 H new ATOM 0 HB3 SER A 190 -1.167 12.387 5.917 1.00 0.00 H new ATOM 0 HG SER A 190 -0.106 12.649 3.872 1.00 0.00 H new ATOM 59 N GLY A 191 -1.334 8.910 3.874 1.00 0.00 N ATOM 60 CA GLY A 191 -1.977 7.924 3.026 1.00 0.00 C ATOM 61 C GLY A 191 -3.283 8.424 2.442 1.00 0.00 C ATOM 62 O GLY A 191 -4.269 7.690 2.388 1.00 0.00 O ATOM 0 H GLY A 191 -0.514 9.358 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 191 -1.301 7.651 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 191 -2.164 7.019 3.604 1.00 0.00 H new ATOM 66 N GLY A 192 -3.291 9.680 2.005 1.00 0.00 N ATOM 67 CA GLY A 192 -4.492 10.258 1.430 1.00 0.00 C ATOM 68 C GLY A 192 -4.658 9.909 -0.036 1.00 0.00 C ATOM 69 O GLY A 192 -5.771 9.919 -0.560 1.00 0.00 O ATOM 0 H GLY A 192 -2.487 10.307 2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -5.362 9.907 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -4.459 11.342 1.541 1.00 0.00 H new ATOM 73 N GLU A 193 -3.548 9.600 -0.699 1.00 0.00 N ATOM 74 CA GLU A 193 -3.577 9.249 -2.113 1.00 0.00 C ATOM 75 C GLU A 193 -4.528 8.083 -2.366 1.00 0.00 C ATOM 76 O GLU A 193 -5.601 8.255 -2.943 1.00 0.00 O ATOM 77 CB GLU A 193 -2.171 8.890 -2.601 1.00 0.00 C ATOM 78 CG GLU A 193 -1.191 10.049 -2.538 1.00 0.00 C ATOM 79 CD GLU A 193 0.227 9.633 -2.882 1.00 0.00 C ATOM 80 OE1 GLU A 193 0.403 8.531 -3.441 1.00 0.00 O ATOM 81 OE2 GLU A 193 1.159 10.411 -2.592 1.00 0.00 O ATOM 0 H GLU A 193 -2.618 9.586 -0.279 1.00 0.00 H new ATOM 0 HA GLU A 193 -3.937 10.115 -2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -1.786 8.066 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -2.232 8.533 -3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -1.513 10.831 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -1.207 10.479 -1.537 1.00 0.00 H new ATOM 88 N LYS A 194 -4.125 6.894 -1.929 1.00 0.00 N ATOM 89 CA LYS A 194 -4.940 5.698 -2.105 1.00 0.00 C ATOM 90 C LYS A 194 -5.393 5.144 -0.758 1.00 0.00 C ATOM 91 O LYS A 194 -4.766 5.373 0.277 1.00 0.00 O ATOM 92 CB LYS A 194 -4.155 4.629 -2.870 1.00 0.00 C ATOM 93 CG LYS A 194 -3.927 4.972 -4.332 1.00 0.00 C ATOM 94 CD LYS A 194 -5.191 4.783 -5.153 1.00 0.00 C ATOM 95 CE LYS A 194 -5.738 6.113 -5.648 1.00 0.00 C ATOM 96 NZ LYS A 194 -7.178 6.018 -6.015 1.00 0.00 N ATOM 0 H LYS A 194 -3.239 6.733 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.824 5.973 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -3.190 4.482 -2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.691 3.682 -2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -3.589 6.005 -4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -3.133 4.343 -4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -4.980 4.136 -6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -5.946 4.280 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -5.610 6.869 -4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -5.163 6.442 -6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -7.513 6.945 -6.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -7.298 5.315 -6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -7.730 5.728 -5.183 1.00 0.00 H new ATOM 110 N PRO A 195 -6.508 4.398 -0.768 1.00 0.00 N ATOM 111 CA PRO A 195 -7.068 3.796 0.445 1.00 0.00 C ATOM 112 C PRO A 195 -6.198 2.665 0.985 1.00 0.00 C ATOM 113 O PRO A 195 -6.236 2.355 2.176 1.00 0.00 O ATOM 114 CB PRO A 195 -8.421 3.253 -0.020 1.00 0.00 C ATOM 115 CG PRO A 195 -8.254 3.022 -1.483 1.00 0.00 C ATOM 116 CD PRO A 195 -7.307 4.085 -1.965 1.00 0.00 C ATOM 0 HA PRO A 195 -7.140 4.515 1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -8.677 2.330 0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -9.223 3.964 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -7.855 2.027 -1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -9.211 3.089 -2.000 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -6.682 3.726 -2.783 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -7.840 4.962 -2.333 1.00 0.00 H new ATOM 124 N TYR A 196 -5.417 2.053 0.103 1.00 0.00 N ATOM 125 CA TYR A 196 -4.539 0.955 0.491 1.00 0.00 C ATOM 126 C TYR A 196 -3.206 1.482 1.012 1.00 0.00 C ATOM 127 O TYR A 196 -2.325 1.851 0.235 1.00 0.00 O ATOM 128 CB TYR A 196 -4.303 0.020 -0.696 1.00 0.00 C ATOM 129 CG TYR A 196 -5.556 -0.288 -1.484 1.00 0.00 C ATOM 130 CD1 TYR A 196 -6.381 -1.348 -1.129 1.00 0.00 C ATOM 131 CD2 TYR A 196 -5.914 0.482 -2.584 1.00 0.00 C ATOM 132 CE1 TYR A 196 -7.526 -1.633 -1.847 1.00 0.00 C ATOM 133 CE2 TYR A 196 -7.059 0.205 -3.306 1.00 0.00 C ATOM 134 CZ TYR A 196 -7.861 -0.854 -2.934 1.00 0.00 C ATOM 135 OH TYR A 196 -9.001 -1.133 -3.652 1.00 0.00 O ATOM 0 H TYR A 196 -5.373 2.298 -0.886 1.00 0.00 H new ATOM 0 HA TYR A 196 -5.026 0.398 1.292 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -3.567 0.471 -1.362 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -3.874 -0.914 -0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -6.123 -1.960 -0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.287 1.310 -2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.156 -2.462 -1.558 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -7.325 0.814 -4.157 1.00 0.00 H new ATOM 0 HH TYR A 196 -9.092 -0.489 -4.385 1.00 0.00 H new ATOM 145 N ARG A 197 -3.064 1.512 2.333 1.00 0.00 N ATOM 146 CA ARG A 197 -1.839 1.994 2.960 1.00 0.00 C ATOM 147 C ARG A 197 -1.416 1.075 4.102 1.00 0.00 C ATOM 148 O ARG A 197 -2.080 1.007 5.137 1.00 0.00 O ATOM 149 CB ARG A 197 -2.034 3.418 3.482 1.00 0.00 C ATOM 150 CG ARG A 197 -0.787 4.009 4.120 1.00 0.00 C ATOM 151 CD ARG A 197 -1.140 5.022 5.198 1.00 0.00 C ATOM 152 NE ARG A 197 -1.144 4.425 6.531 1.00 0.00 N ATOM 153 CZ ARG A 197 -1.721 4.987 7.586 1.00 0.00 C ATOM 154 NH1 ARG A 197 -2.339 6.154 7.465 1.00 0.00 N ATOM 155 NH2 ARG A 197 -1.682 4.382 8.766 1.00 0.00 N ATOM 0 H ARG A 197 -3.782 1.208 2.990 1.00 0.00 H new ATOM 0 HA ARG A 197 -1.051 1.996 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -2.348 4.058 2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -2.842 3.420 4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -0.185 3.210 4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -0.177 4.488 3.354 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -0.424 5.844 5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -2.122 5.447 4.988 1.00 0.00 H new ATOM 0 HE ARG A 197 -0.678 3.527 6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -2.372 6.622 6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -2.782 6.583 8.278 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -1.208 3.484 8.863 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -2.126 4.815 9.576 1.00 0.00 H new ATOM 169 N CYS A 198 -0.306 0.370 3.908 1.00 0.00 N ATOM 170 CA CYS A 198 0.206 -0.545 4.920 1.00 0.00 C ATOM 171 C CYS A 198 0.698 0.220 6.146 1.00 0.00 C ATOM 172 O CYS A 198 1.463 1.177 6.027 1.00 0.00 O ATOM 173 CB CYS A 198 1.343 -1.392 4.344 1.00 0.00 C ATOM 174 SG CYS A 198 1.753 -2.862 5.338 1.00 0.00 S ATOM 0 H CYS A 198 0.256 0.415 3.058 1.00 0.00 H new ATOM 0 HA CYS A 198 -0.609 -1.202 5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.070 -1.711 3.338 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.233 -0.770 4.250 1.00 0.00 H new ATOM 179 N ASP A 199 0.253 -0.210 7.321 1.00 0.00 N ATOM 180 CA ASP A 199 0.649 0.433 8.569 1.00 0.00 C ATOM 181 C ASP A 199 1.878 -0.245 9.164 1.00 0.00 C ATOM 182 O ASP A 199 2.478 0.258 10.114 1.00 0.00 O ATOM 183 CB ASP A 199 -0.505 0.398 9.574 1.00 0.00 C ATOM 184 CG ASP A 199 -1.847 0.667 8.923 1.00 0.00 C ATOM 185 OD1 ASP A 199 -1.893 1.468 7.966 1.00 0.00 O ATOM 186 OD2 ASP A 199 -2.853 0.077 9.371 1.00 0.00 O ATOM 0 H ASP A 199 -0.382 -1.000 7.436 1.00 0.00 H new ATOM 0 HA ASP A 199 0.900 1.471 8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 199 -0.529 -0.577 10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 199 -0.327 1.139 10.353 1.00 0.00 H new ATOM 191 N GLN A 200 2.247 -1.391 8.600 1.00 0.00 N ATOM 192 CA GLN A 200 3.405 -2.139 9.076 1.00 0.00 C ATOM 193 C GLN A 200 4.703 -1.475 8.630 1.00 0.00 C ATOM 194 O GLN A 200 5.691 -1.464 9.365 1.00 0.00 O ATOM 195 CB GLN A 200 3.352 -3.580 8.566 1.00 0.00 C ATOM 196 CG GLN A 200 2.100 -4.330 8.989 1.00 0.00 C ATOM 197 CD GLN A 200 2.365 -5.327 10.100 1.00 0.00 C ATOM 198 OE1 GLN A 200 2.583 -6.513 9.847 1.00 0.00 O ATOM 199 NE2 GLN A 200 2.347 -4.852 11.339 1.00 0.00 N ATOM 0 H GLN A 200 1.761 -1.821 7.813 1.00 0.00 H new ATOM 0 HA GLN A 200 3.379 -2.146 10.166 1.00 0.00 H new ATOM 0 HB2 GLN A 200 3.411 -3.574 7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 200 4.228 -4.118 8.930 1.00 0.00 H new ATOM 0 HG2 GLN A 200 1.347 -3.615 9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 200 1.686 -4.853 8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 200 2.162 -3.862 11.503 1.00 0.00 H new ATOM 0 HE22 GLN A 200 2.518 -5.477 12.127 1.00 0.00 H new ATOM 208 N CYS A 201 4.695 -0.924 7.421 1.00 0.00 N ATOM 209 CA CYS A 201 5.872 -0.258 6.875 1.00 0.00 C ATOM 210 C CYS A 201 5.571 1.203 6.556 1.00 0.00 C ATOM 211 O CYS A 201 6.440 2.066 6.672 1.00 0.00 O ATOM 212 CB CYS A 201 6.352 -0.980 5.614 1.00 0.00 C ATOM 213 SG CYS A 201 5.113 -1.049 4.280 1.00 0.00 S ATOM 0 H CYS A 201 3.886 -0.925 6.800 1.00 0.00 H new ATOM 0 HA CYS A 201 6.660 -0.291 7.627 1.00 0.00 H new ATOM 0 HB2 CYS A 201 7.246 -0.480 5.240 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.642 -1.997 5.879 1.00 0.00 H new ATOM 218 N GLY A 202 4.333 1.473 6.152 1.00 0.00 N ATOM 219 CA GLY A 202 3.939 2.830 5.822 1.00 0.00 C ATOM 220 C GLY A 202 4.020 3.111 4.335 1.00 0.00 C ATOM 221 O GLY A 202 4.583 4.123 3.916 1.00 0.00 O ATOM 0 H GLY A 202 3.596 0.776 6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.919 3.003 6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 202 4.579 3.531 6.357 1.00 0.00 H new ATOM 225 N LYS A 203 3.458 2.214 3.533 1.00 0.00 N ATOM 226 CA LYS A 203 3.468 2.369 2.083 1.00 0.00 C ATOM 227 C LYS A 203 2.064 2.644 1.555 1.00 0.00 C ATOM 228 O LYS A 203 1.107 2.732 2.325 1.00 0.00 O ATOM 229 CB LYS A 203 4.037 1.113 1.419 1.00 0.00 C ATOM 230 CG LYS A 203 5.486 1.256 0.988 1.00 0.00 C ATOM 231 CD LYS A 203 5.761 0.502 -0.302 1.00 0.00 C ATOM 232 CE LYS A 203 7.118 0.870 -0.884 1.00 0.00 C ATOM 233 NZ LYS A 203 8.139 -0.180 -0.615 1.00 0.00 N ATOM 0 H LYS A 203 2.989 1.370 3.863 1.00 0.00 H new ATOM 0 HA LYS A 203 4.102 3.221 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.954 0.276 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.430 0.866 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 203 5.724 2.311 0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 203 6.140 0.881 1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 203 5.724 -0.571 -0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 203 4.980 0.725 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 203 7.024 1.018 -1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 203 7.451 1.817 -0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 9.050 0.107 -1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 8.247 -0.304 0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 7.834 -1.078 -1.042 1.00 0.00 H new ATOM 247 N ALA A 204 1.947 2.779 0.238 1.00 0.00 N ATOM 248 CA ALA A 204 0.659 3.040 -0.392 1.00 0.00 C ATOM 249 C ALA A 204 0.528 2.281 -1.708 1.00 0.00 C ATOM 250 O ALA A 204 1.478 2.199 -2.486 1.00 0.00 O ATOM 251 CB ALA A 204 0.477 4.533 -0.621 1.00 0.00 C ATOM 0 H ALA A 204 2.729 2.712 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.124 2.688 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.489 4.714 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.518 5.055 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 204 1.272 4.901 -1.270 1.00 0.00 H new ATOM 257 N PHE A 205 -0.656 1.728 -1.951 1.00 0.00 N ATOM 258 CA PHE A 205 -0.911 0.974 -3.173 1.00 0.00 C ATOM 259 C PHE A 205 -2.194 1.451 -3.848 1.00 0.00 C ATOM 260 O PHE A 205 -3.104 1.954 -3.190 1.00 0.00 O ATOM 261 CB PHE A 205 -1.010 -0.521 -2.863 1.00 0.00 C ATOM 262 CG PHE A 205 0.087 -1.022 -1.968 1.00 0.00 C ATOM 263 CD1 PHE A 205 -0.026 -0.924 -0.590 1.00 0.00 C ATOM 264 CD2 PHE A 205 1.232 -1.589 -2.503 1.00 0.00 C ATOM 265 CE1 PHE A 205 0.981 -1.384 0.237 1.00 0.00 C ATOM 266 CE2 PHE A 205 2.242 -2.051 -1.681 1.00 0.00 C ATOM 267 CZ PHE A 205 2.117 -1.947 -0.309 1.00 0.00 C ATOM 0 H PHE A 205 -1.454 1.788 -1.318 1.00 0.00 H new ATOM 0 HA PHE A 205 -0.078 1.142 -3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -1.972 -0.723 -2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -0.988 -1.080 -3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -0.912 -0.483 -0.157 1.00 0.00 H new ATOM 0 HD2 PHE A 205 1.336 -1.671 -3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 205 0.879 -1.303 1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 205 3.129 -2.493 -2.111 1.00 0.00 H new ATOM 0 HZ PHE A 205 2.906 -2.305 0.335 1.00 0.00 H new ATOM 277 N SER A 206 -2.257 1.289 -5.166 1.00 0.00 N ATOM 278 CA SER A 206 -3.425 1.707 -5.932 1.00 0.00 C ATOM 279 C SER A 206 -4.507 0.632 -5.902 1.00 0.00 C ATOM 280 O SER A 206 -5.697 0.932 -5.995 1.00 0.00 O ATOM 281 CB SER A 206 -3.030 2.009 -7.379 1.00 0.00 C ATOM 282 OG SER A 206 -4.176 2.222 -8.186 1.00 0.00 O ATOM 0 H SER A 206 -1.513 0.871 -5.725 1.00 0.00 H new ATOM 0 HA SER A 206 -3.824 2.613 -5.475 1.00 0.00 H new ATOM 0 HB2 SER A 206 -2.391 2.892 -7.408 1.00 0.00 H new ATOM 0 HB3 SER A 206 -2.447 1.180 -7.781 1.00 0.00 H new ATOM 0 HG SER A 206 -3.897 2.415 -9.106 1.00 0.00 H new ATOM 288 N GLN A 207 -4.084 -0.622 -5.772 1.00 0.00 N ATOM 289 CA GLN A 207 -5.016 -1.742 -5.731 1.00 0.00 C ATOM 290 C GLN A 207 -4.830 -2.558 -4.456 1.00 0.00 C ATOM 291 O GLN A 207 -3.813 -2.438 -3.772 1.00 0.00 O ATOM 292 CB GLN A 207 -4.825 -2.637 -6.956 1.00 0.00 C ATOM 293 CG GLN A 207 -4.997 -1.905 -8.277 1.00 0.00 C ATOM 294 CD GLN A 207 -6.364 -2.124 -8.894 1.00 0.00 C ATOM 295 OE1 GLN A 207 -6.483 -2.661 -9.995 1.00 0.00 O ATOM 296 NE2 GLN A 207 -7.407 -1.709 -8.184 1.00 0.00 N ATOM 0 H GLN A 207 -3.102 -0.887 -5.693 1.00 0.00 H new ATOM 0 HA GLN A 207 -6.029 -1.340 -5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 207 -3.829 -3.078 -6.922 1.00 0.00 H new ATOM 0 HB3 GLN A 207 -5.539 -3.459 -6.910 1.00 0.00 H new ATOM 0 HG2 GLN A 207 -4.841 -0.838 -8.119 1.00 0.00 H new ATOM 0 HG3 GLN A 207 -4.230 -2.239 -8.975 1.00 0.00 H new ATOM 0 HE21 GLN A 207 -7.263 -1.269 -7.275 1.00 0.00 H new ATOM 0 HE22 GLN A 207 -8.352 -1.831 -8.547 1.00 0.00 H new ATOM 305 N LYS A 208 -5.818 -3.389 -4.142 1.00 0.00 N ATOM 306 CA LYS A 208 -5.764 -4.227 -2.950 1.00 0.00 C ATOM 307 C LYS A 208 -4.831 -5.414 -3.161 1.00 0.00 C ATOM 308 O LYS A 208 -3.925 -5.654 -2.364 1.00 0.00 O ATOM 309 CB LYS A 208 -7.165 -4.723 -2.586 1.00 0.00 C ATOM 310 CG LYS A 208 -7.375 -4.915 -1.094 1.00 0.00 C ATOM 311 CD LYS A 208 -7.179 -6.365 -0.685 1.00 0.00 C ATOM 312 CE LYS A 208 -6.474 -6.475 0.658 1.00 0.00 C ATOM 313 NZ LYS A 208 -7.277 -7.248 1.645 1.00 0.00 N ATOM 0 H LYS A 208 -6.667 -3.500 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 208 -5.375 -3.624 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -7.901 -4.011 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -7.350 -5.669 -3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -6.678 -4.283 -0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.380 -4.592 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -8.147 -6.863 -0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -6.596 -6.883 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -5.506 -6.956 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -6.281 -5.476 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -6.762 -7.300 2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -8.191 -6.775 1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -7.440 -8.209 1.283 1.00 0.00 H new ATOM 327 N GLY A 209 -5.058 -6.155 -4.242 1.00 0.00 N ATOM 328 CA GLY A 209 -4.228 -7.308 -4.539 1.00 0.00 C ATOM 329 C GLY A 209 -2.748 -6.998 -4.438 1.00 0.00 C ATOM 330 O GLY A 209 -1.987 -7.759 -3.840 1.00 0.00 O ATOM 0 H GLY A 209 -5.802 -5.977 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -4.475 -8.116 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -4.454 -7.665 -5.544 1.00 0.00 H new ATOM 334 N SER A 210 -2.337 -5.878 -5.024 1.00 0.00 N ATOM 335 CA SER A 210 -0.937 -5.472 -5.002 1.00 0.00 C ATOM 336 C SER A 210 -0.391 -5.482 -3.577 1.00 0.00 C ATOM 337 O SER A 210 0.755 -5.868 -3.341 1.00 0.00 O ATOM 338 CB SER A 210 -0.778 -4.078 -5.611 1.00 0.00 C ATOM 339 OG SER A 210 -1.701 -3.875 -6.667 1.00 0.00 O ATOM 0 H SER A 210 -2.954 -5.235 -5.520 1.00 0.00 H new ATOM 0 HA SER A 210 -0.368 -6.187 -5.596 1.00 0.00 H new ATOM 0 HB2 SER A 210 -0.930 -3.322 -4.841 1.00 0.00 H new ATOM 0 HB3 SER A 210 0.239 -3.954 -5.984 1.00 0.00 H new ATOM 0 HG SER A 210 -1.580 -2.976 -7.039 1.00 0.00 H new ATOM 345 N LEU A 211 -1.219 -5.056 -2.630 1.00 0.00 N ATOM 346 CA LEU A 211 -0.822 -5.015 -1.227 1.00 0.00 C ATOM 347 C LEU A 211 -0.723 -6.423 -0.648 1.00 0.00 C ATOM 348 O LEU A 211 0.098 -6.687 0.230 1.00 0.00 O ATOM 349 CB LEU A 211 -1.820 -4.187 -0.418 1.00 0.00 C ATOM 350 CG LEU A 211 -1.769 -4.368 1.100 1.00 0.00 C ATOM 351 CD1 LEU A 211 -0.359 -4.133 1.618 1.00 0.00 C ATOM 352 CD2 LEU A 211 -2.753 -3.430 1.783 1.00 0.00 C ATOM 0 H LEU A 211 -2.170 -4.734 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 211 0.161 -4.547 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.655 -3.134 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -2.826 -4.432 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 211 -2.054 -5.394 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.342 -4.266 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.323 -4.846 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -0.045 -3.118 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -2.703 -3.573 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -2.499 -2.398 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -3.763 -3.646 1.435 1.00 0.00 H new ATOM 364 N ILE A 212 -1.565 -7.322 -1.147 1.00 0.00 N ATOM 365 CA ILE A 212 -1.570 -8.703 -0.681 1.00 0.00 C ATOM 366 C ILE A 212 -0.225 -9.375 -0.938 1.00 0.00 C ATOM 367 O ILE A 212 0.212 -10.228 -0.165 1.00 0.00 O ATOM 368 CB ILE A 212 -2.680 -9.524 -1.364 1.00 0.00 C ATOM 369 CG1 ILE A 212 -4.015 -8.780 -1.287 1.00 0.00 C ATOM 370 CG2 ILE A 212 -2.794 -10.898 -0.722 1.00 0.00 C ATOM 371 CD1 ILE A 212 -5.182 -9.576 -1.829 1.00 0.00 C ATOM 0 H ILE A 212 -2.252 -7.119 -1.873 1.00 0.00 H new ATOM 0 HA ILE A 212 -1.760 -8.673 0.392 1.00 0.00 H new ATOM 0 HB ILE A 212 -2.420 -9.657 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -4.216 -8.517 -0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -3.934 -7.846 -1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -3.583 -11.466 -1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -1.847 -11.427 -0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.035 -10.787 0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -6.095 -8.987 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 212 -5.003 -9.817 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -5.290 -10.498 -1.258 1.00 0.00 H new ATOM 383 N VAL A 213 0.427 -8.984 -2.028 1.00 0.00 N ATOM 384 CA VAL A 213 1.724 -9.546 -2.386 1.00 0.00 C ATOM 385 C VAL A 213 2.842 -8.915 -1.563 1.00 0.00 C ATOM 386 O VAL A 213 3.979 -9.389 -1.574 1.00 0.00 O ATOM 387 CB VAL A 213 2.028 -9.347 -3.882 1.00 0.00 C ATOM 388 CG1 VAL A 213 3.281 -10.113 -4.279 1.00 0.00 C ATOM 389 CG2 VAL A 213 0.840 -9.778 -4.729 1.00 0.00 C ATOM 0 H VAL A 213 0.078 -8.280 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 213 1.677 -10.614 -2.172 1.00 0.00 H new ATOM 0 HB VAL A 213 2.207 -8.287 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 213 3.480 -9.960 -5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 213 4.128 -9.753 -3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 213 3.134 -11.176 -4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 213 1.072 -9.630 -5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 213 0.627 -10.832 -4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -0.032 -9.181 -4.463 1.00 0.00 H new ATOM 399 N HIS A 214 2.512 -7.843 -0.850 1.00 0.00 N ATOM 400 CA HIS A 214 3.489 -7.147 -0.019 1.00 0.00 C ATOM 401 C HIS A 214 3.455 -7.670 1.414 1.00 0.00 C ATOM 402 O HIS A 214 4.490 -7.772 2.072 1.00 0.00 O ATOM 403 CB HIS A 214 3.220 -5.642 -0.032 1.00 0.00 C ATOM 404 CG HIS A 214 3.713 -4.936 1.193 1.00 0.00 C ATOM 405 ND1 HIS A 214 5.026 -4.548 1.361 1.00 0.00 N ATOM 406 CD2 HIS A 214 3.061 -4.545 2.313 1.00 0.00 C ATOM 407 CE1 HIS A 214 5.160 -3.952 2.532 1.00 0.00 C ATOM 408 NE2 HIS A 214 3.982 -3.936 3.129 1.00 0.00 N ATOM 0 H HIS A 214 1.576 -7.437 -0.831 1.00 0.00 H new ATOM 0 HA HIS A 214 4.480 -7.335 -0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 214 3.695 -5.204 -0.910 1.00 0.00 H new ATOM 0 HB3 HIS A 214 2.148 -5.474 -0.132 1.00 0.00 H new ATOM 0 HD1 HIS A 214 5.776 -4.698 0.686 1.00 0.00 H new ATOM 0 HD2 HIS A 214 2.011 -4.686 2.525 1.00 0.00 H new ATOM 0 HE1 HIS A 214 6.077 -3.547 2.933 1.00 0.00 H new ATOM 416 N ILE A 215 2.259 -7.999 1.890 1.00 0.00 N ATOM 417 CA ILE A 215 2.091 -8.512 3.244 1.00 0.00 C ATOM 418 C ILE A 215 2.903 -9.785 3.455 1.00 0.00 C ATOM 419 O ILE A 215 3.193 -10.167 4.589 1.00 0.00 O ATOM 420 CB ILE A 215 0.611 -8.803 3.557 1.00 0.00 C ATOM 421 CG1 ILE A 215 -0.229 -7.535 3.382 1.00 0.00 C ATOM 422 CG2 ILE A 215 0.465 -9.350 4.968 1.00 0.00 C ATOM 423 CD1 ILE A 215 -1.710 -7.807 3.240 1.00 0.00 C ATOM 0 H ILE A 215 1.392 -7.919 1.358 1.00 0.00 H new ATOM 0 HA ILE A 215 2.452 -7.738 3.921 1.00 0.00 H new ATOM 0 HB ILE A 215 0.249 -9.556 2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.068 -6.881 4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.120 -6.997 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -0.587 -9.550 5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 215 1.035 -10.274 5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 215 0.841 -8.618 5.683 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -2.243 -6.864 3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -1.882 -8.435 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -2.073 -8.318 4.132 1.00 0.00 H new ATOM 435 N ARG A 216 3.268 -10.436 2.356 1.00 0.00 N ATOM 436 CA ARG A 216 4.048 -11.666 2.420 1.00 0.00 C ATOM 437 C ARG A 216 5.344 -11.448 3.196 1.00 0.00 C ATOM 438 O ARG A 216 5.921 -12.391 3.738 1.00 0.00 O ATOM 439 CB ARG A 216 4.364 -12.168 1.010 1.00 0.00 C ATOM 440 CG ARG A 216 3.162 -12.171 0.080 1.00 0.00 C ATOM 441 CD ARG A 216 3.112 -13.437 -0.762 1.00 0.00 C ATOM 442 NE ARG A 216 3.410 -13.172 -2.166 1.00 0.00 N ATOM 443 CZ ARG A 216 4.643 -13.071 -2.650 1.00 0.00 C ATOM 444 NH1 ARG A 216 5.688 -13.213 -1.845 1.00 0.00 N ATOM 445 NH2 ARG A 216 4.834 -12.828 -3.940 1.00 0.00 N ATOM 0 H ARG A 216 3.036 -10.132 1.410 1.00 0.00 H new ATOM 0 HA ARG A 216 3.454 -12.417 2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 216 5.145 -11.543 0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 216 4.765 -13.180 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 216 2.247 -12.086 0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 216 3.204 -11.300 -0.573 1.00 0.00 H new ATOM 0 HD2 ARG A 216 3.826 -14.161 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 216 2.123 -13.888 -0.680 1.00 0.00 H new ATOM 0 HE ARG A 216 2.628 -13.058 -2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 216 5.545 -13.400 -0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 216 6.634 -13.135 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 216 4.033 -12.718 -4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 216 5.782 -12.751 -4.310 1.00 0.00 H new ATOM 459 N VAL A 217 5.796 -10.199 3.244 1.00 0.00 N ATOM 460 CA VAL A 217 7.023 -9.857 3.954 1.00 0.00 C ATOM 461 C VAL A 217 6.743 -9.556 5.422 1.00 0.00 C ATOM 462 O VAL A 217 7.627 -9.675 6.271 1.00 0.00 O ATOM 463 CB VAL A 217 7.720 -8.641 3.317 1.00 0.00 C ATOM 464 CG1 VAL A 217 7.916 -8.859 1.824 1.00 0.00 C ATOM 465 CG2 VAL A 217 6.922 -7.372 3.578 1.00 0.00 C ATOM 0 H VAL A 217 5.331 -9.407 2.800 1.00 0.00 H new ATOM 0 HA VAL A 217 7.681 -10.723 3.882 1.00 0.00 H new ATOM 0 HB VAL A 217 8.702 -8.526 3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 217 8.410 -7.989 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 217 8.532 -9.744 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 217 6.946 -9.001 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 217 7.429 -6.523 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 217 5.926 -7.474 3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 217 6.839 -7.209 4.653 1.00 0.00 H new ATOM 475 N HIS A 218 5.506 -9.167 5.715 1.00 0.00 N ATOM 476 CA HIS A 218 5.108 -8.850 7.082 1.00 0.00 C ATOM 477 C HIS A 218 4.555 -10.084 7.787 1.00 0.00 C ATOM 478 O HIS A 218 5.220 -10.679 8.635 1.00 0.00 O ATOM 479 CB HIS A 218 4.062 -7.735 7.086 1.00 0.00 C ATOM 480 CG HIS A 218 4.617 -6.391 6.727 1.00 0.00 C ATOM 481 ND1 HIS A 218 5.689 -5.821 7.381 1.00 0.00 N ATOM 482 CD2 HIS A 218 4.245 -5.504 5.775 1.00 0.00 C ATOM 483 CE1 HIS A 218 5.951 -4.641 6.848 1.00 0.00 C ATOM 484 NE2 HIS A 218 5.089 -4.425 5.871 1.00 0.00 N ATOM 0 H HIS A 218 4.762 -9.064 5.024 1.00 0.00 H new ATOM 0 HA HIS A 218 5.992 -8.510 7.622 1.00 0.00 H new ATOM 0 HB2 HIS A 218 3.268 -7.990 6.384 1.00 0.00 H new ATOM 0 HB3 HIS A 218 3.607 -7.679 8.075 1.00 0.00 H new ATOM 0 HD1 HIS A 218 6.200 -6.245 8.156 1.00 0.00 H new ATOM 0 HD2 HIS A 218 3.435 -5.623 5.071 1.00 0.00 H new ATOM 0 HE1 HIS A 218 6.736 -3.968 7.158 1.00 0.00 H new ATOM 492 N THR A 219 3.331 -10.465 7.431 1.00 0.00 N ATOM 493 CA THR A 219 2.688 -11.627 8.031 1.00 0.00 C ATOM 494 C THR A 219 2.692 -12.813 7.073 1.00 0.00 C ATOM 495 O THR A 219 2.684 -12.640 5.855 1.00 0.00 O ATOM 496 CB THR A 219 1.236 -11.317 8.440 1.00 0.00 C ATOM 497 OG1 THR A 219 1.146 -9.983 8.953 1.00 0.00 O ATOM 498 CG2 THR A 219 0.746 -12.303 9.489 1.00 0.00 C ATOM 0 H THR A 219 2.766 -9.985 6.730 1.00 0.00 H new ATOM 0 HA THR A 219 3.262 -11.881 8.922 1.00 0.00 H new ATOM 0 HB THR A 219 0.606 -11.410 7.556 1.00 0.00 H new ATOM 0 HG1 THR A 219 0.219 -9.793 9.209 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.282 -12.063 9.762 1.00 0.00 H new ATOM 0 HG22 THR A 219 0.788 -13.315 9.085 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.380 -12.239 10.373 1.00 0.00 H new ATOM 506 N GLY A 220 2.704 -14.020 7.632 1.00 0.00 N ATOM 507 CA GLY A 220 2.708 -15.217 6.812 1.00 0.00 C ATOM 508 C GLY A 220 1.613 -15.205 5.763 1.00 0.00 C ATOM 509 O GLY A 220 0.445 -15.443 6.072 1.00 0.00 O ATOM 0 H GLY A 220 2.711 -14.190 8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 220 3.676 -15.314 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.585 -16.092 7.451 1.00 0.00 H new ATOM 513 N SER A 221 1.990 -14.927 4.519 1.00 0.00 N ATOM 514 CA SER A 221 1.030 -14.879 3.422 1.00 0.00 C ATOM 515 C SER A 221 1.252 -16.039 2.456 1.00 0.00 C ATOM 516 O SER A 221 0.383 -16.892 2.282 1.00 0.00 O ATOM 517 CB SER A 221 1.143 -13.549 2.675 1.00 0.00 C ATOM 518 OG SER A 221 -0.123 -13.120 2.204 1.00 0.00 O ATOM 0 H SER A 221 2.953 -14.732 4.246 1.00 0.00 H new ATOM 0 HA SER A 221 0.029 -14.966 3.843 1.00 0.00 H new ATOM 0 HB2 SER A 221 1.564 -12.792 3.336 1.00 0.00 H new ATOM 0 HB3 SER A 221 1.830 -13.657 1.835 1.00 0.00 H new ATOM 0 HG SER A 221 -0.024 -12.267 1.732 1.00 0.00 H new ATOM 524 N GLY A 222 2.425 -16.062 1.829 1.00 0.00 N ATOM 525 CA GLY A 222 2.741 -17.120 0.887 1.00 0.00 C ATOM 526 C GLY A 222 3.652 -18.175 1.485 1.00 0.00 C ATOM 527 O GLY A 222 4.220 -17.996 2.562 1.00 0.00 O ATOM 0 H GLY A 222 3.161 -15.367 1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 222 1.817 -17.590 0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 222 3.218 -16.689 0.007 1.00 0.00 H new ATOM 531 N PRO A 223 3.799 -19.305 0.777 1.00 0.00 N ATOM 532 CA PRO A 223 4.645 -20.415 1.226 1.00 0.00 C ATOM 533 C PRO A 223 6.129 -20.071 1.171 1.00 0.00 C ATOM 534 O PRO A 223 6.944 -20.683 1.862 1.00 0.00 O ATOM 535 CB PRO A 223 4.317 -21.533 0.233 1.00 0.00 C ATOM 536 CG PRO A 223 3.851 -20.827 -0.993 1.00 0.00 C ATOM 537 CD PRO A 223 3.151 -19.585 -0.515 1.00 0.00 C ATOM 0 HA PRO A 223 4.454 -20.680 2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 223 5.193 -22.148 0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 223 3.546 -22.197 0.625 1.00 0.00 H new ATOM 0 HG2 PRO A 223 4.690 -20.577 -1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 223 3.176 -21.456 -1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 223 3.276 -18.759 -1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 223 2.079 -19.747 -0.400 1.00 0.00 H new ATOM 545 N SER A 224 6.474 -19.088 0.346 1.00 0.00 N ATOM 546 CA SER A 224 7.862 -18.665 0.198 1.00 0.00 C ATOM 547 C SER A 224 8.084 -17.298 0.837 1.00 0.00 C ATOM 548 O SER A 224 7.263 -16.392 0.692 1.00 0.00 O ATOM 549 CB SER A 224 8.249 -18.619 -1.281 1.00 0.00 C ATOM 550 OG SER A 224 7.768 -17.438 -1.897 1.00 0.00 O ATOM 0 H SER A 224 5.811 -18.569 -0.230 1.00 0.00 H new ATOM 0 HA SER A 224 8.494 -19.392 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 224 9.334 -18.668 -1.378 1.00 0.00 H new ATOM 0 HB3 SER A 224 7.844 -19.491 -1.794 1.00 0.00 H new ATOM 0 HG SER A 224 8.030 -17.432 -2.841 1.00 0.00 H new ATOM 556 N SER A 225 9.201 -17.155 1.543 1.00 0.00 N ATOM 557 CA SER A 225 9.530 -15.900 2.208 1.00 0.00 C ATOM 558 C SER A 225 8.438 -15.506 3.198 1.00 0.00 C ATOM 559 O SER A 225 7.444 -14.884 2.828 1.00 0.00 O ATOM 560 CB SER A 225 9.723 -14.788 1.175 1.00 0.00 C ATOM 561 OG SER A 225 10.839 -15.053 0.342 1.00 0.00 O ATOM 0 H SER A 225 9.894 -17.893 1.669 1.00 0.00 H new ATOM 0 HA SER A 225 10.460 -16.042 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 225 8.824 -14.694 0.565 1.00 0.00 H new ATOM 0 HB3 SER A 225 9.864 -13.835 1.684 1.00 0.00 H new ATOM 0 HG SER A 225 10.940 -14.329 -0.310 1.00 0.00 H new ATOM 567 N GLY A 226 8.633 -15.874 4.461 1.00 0.00 N ATOM 568 CA GLY A 226 7.657 -15.552 5.486 1.00 0.00 C ATOM 569 C GLY A 226 8.301 -15.252 6.825 1.00 0.00 C ATOM 570 O GLY A 226 7.933 -15.876 7.819 1.00 0.00 O ATOM 0 H GLY A 226 9.449 -16.389 4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 226 7.070 -14.690 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 226 6.964 -16.386 5.598 1.00 0.00 H new TER 574 GLY A 226 HETATM 575 ZN ZN A 301 4.047 -3.114 4.835 1.00 0.00 ZN