USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=12 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 USER MOD Single : A 187 SER OG : rot 180:sc=-0.00163 USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 190 SER OG : rot 52:sc= 0.715 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 K(o=0,f=-0.68) USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 SER OG : rot 180:sc= -0.648 USER MOD Single : A 207 GLN : amide:sc= -0.676 K(o=-0.68,f=-4.3!) USER MOD Single : A 208 LYS NZ :NH3+ -166:sc= -0.0606 (180deg=-0.31) USER MOD Single : A 210 SER OG : rot -160:sc= -0.753 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 49:sc= 0.252 USER MOD Single : A 225 SER OG : rot 180:sc= 0.0536 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 185 16.107 10.507 -3.740 1.00 0.00 N ATOM 2 CA GLY A 185 17.347 10.748 -3.025 1.00 0.00 C ATOM 3 C GLY A 185 17.207 10.527 -1.532 1.00 0.00 C ATOM 4 O GLY A 185 17.736 9.557 -0.989 1.00 0.00 O ATOM 0 HA2 GLY A 185 18.122 10.089 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 185 17.676 11.771 -3.209 1.00 0.00 H new ATOM 8 N SER A 186 16.495 11.430 -0.865 1.00 0.00 N ATOM 9 CA SER A 186 16.292 11.332 0.575 1.00 0.00 C ATOM 10 C SER A 186 14.938 10.704 0.892 1.00 0.00 C ATOM 11 O SER A 186 14.757 10.088 1.942 1.00 0.00 O ATOM 12 CB SER A 186 16.388 12.716 1.220 1.00 0.00 C ATOM 13 OG SER A 186 17.096 12.659 2.446 1.00 0.00 O ATOM 0 H SER A 186 16.049 12.238 -1.300 1.00 0.00 H new ATOM 0 HA SER A 186 17.074 10.693 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 186 16.889 13.404 0.539 1.00 0.00 H new ATOM 0 HB3 SER A 186 15.387 13.111 1.393 1.00 0.00 H new ATOM 0 HG SER A 186 17.145 13.556 2.837 1.00 0.00 H new ATOM 19 N SER A 187 13.989 10.864 -0.026 1.00 0.00 N ATOM 20 CA SER A 187 12.650 10.317 0.156 1.00 0.00 C ATOM 21 C SER A 187 11.964 10.949 1.363 1.00 0.00 C ATOM 22 O SER A 187 12.519 11.833 2.014 1.00 0.00 O ATOM 23 CB SER A 187 12.716 8.798 0.330 1.00 0.00 C ATOM 24 OG SER A 187 13.722 8.234 -0.494 1.00 0.00 O ATOM 0 H SER A 187 14.123 11.368 -0.903 1.00 0.00 H new ATOM 0 HA SER A 187 12.066 10.549 -0.734 1.00 0.00 H new ATOM 0 HB2 SER A 187 12.918 8.557 1.373 1.00 0.00 H new ATOM 0 HB3 SER A 187 11.750 8.358 0.083 1.00 0.00 H new ATOM 0 HG SER A 187 13.745 7.263 -0.363 1.00 0.00 H new ATOM 30 N GLY A 188 10.751 10.488 1.656 1.00 0.00 N ATOM 31 CA GLY A 188 10.008 11.018 2.784 1.00 0.00 C ATOM 32 C GLY A 188 8.916 11.980 2.358 1.00 0.00 C ATOM 33 O GLY A 188 8.788 13.070 2.914 1.00 0.00 O ATOM 0 H GLY A 188 10.270 9.757 1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 188 9.564 10.194 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 188 10.694 11.528 3.460 1.00 0.00 H new ATOM 37 N SER A 189 8.128 11.576 1.367 1.00 0.00 N ATOM 38 CA SER A 189 7.045 12.413 0.862 1.00 0.00 C ATOM 39 C SER A 189 5.760 12.168 1.647 1.00 0.00 C ATOM 40 O SER A 189 5.524 11.068 2.147 1.00 0.00 O ATOM 41 CB SER A 189 6.809 12.136 -0.624 1.00 0.00 C ATOM 42 OG SER A 189 6.608 13.342 -1.341 1.00 0.00 O ATOM 0 H SER A 189 8.219 10.675 0.898 1.00 0.00 H new ATOM 0 HA SER A 189 7.335 13.456 0.988 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.664 11.601 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 189 5.940 11.489 -0.743 1.00 0.00 H new ATOM 0 HG SER A 189 6.461 13.139 -2.288 1.00 0.00 H new ATOM 48 N SER A 190 4.931 13.203 1.751 1.00 0.00 N ATOM 49 CA SER A 190 3.671 13.103 2.478 1.00 0.00 C ATOM 50 C SER A 190 2.494 12.999 1.513 1.00 0.00 C ATOM 51 O SER A 190 1.745 13.956 1.324 1.00 0.00 O ATOM 52 CB SER A 190 3.489 14.315 3.393 1.00 0.00 C ATOM 53 OG SER A 190 3.461 15.519 2.646 1.00 0.00 O ATOM 0 H SER A 190 5.110 14.120 1.341 1.00 0.00 H new ATOM 0 HA SER A 190 3.701 12.199 3.086 1.00 0.00 H new ATOM 0 HB2 SER A 190 2.562 14.212 3.958 1.00 0.00 H new ATOM 0 HB3 SER A 190 4.302 14.352 4.118 1.00 0.00 H new ATOM 0 HG SER A 190 2.796 15.444 1.930 1.00 0.00 H new ATOM 59 N GLY A 191 2.338 11.827 0.903 1.00 0.00 N ATOM 60 CA GLY A 191 1.251 11.618 -0.035 1.00 0.00 C ATOM 61 C GLY A 191 0.109 10.826 0.568 1.00 0.00 C ATOM 62 O GLY A 191 -0.762 11.386 1.232 1.00 0.00 O ATOM 0 H GLY A 191 2.945 11.019 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 191 0.879 12.584 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 191 1.629 11.094 -0.913 1.00 0.00 H new ATOM 66 N GLY A 192 0.110 9.516 0.336 1.00 0.00 N ATOM 67 CA GLY A 192 -0.940 8.667 0.867 1.00 0.00 C ATOM 68 C GLY A 192 -2.324 9.135 0.463 1.00 0.00 C ATOM 69 O GLY A 192 -3.096 9.602 1.300 1.00 0.00 O ATOM 0 H GLY A 192 0.820 9.028 -0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -0.789 7.646 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -0.870 8.645 1.955 1.00 0.00 H new ATOM 73 N GLU A 193 -2.637 9.012 -0.823 1.00 0.00 N ATOM 74 CA GLU A 193 -3.936 9.429 -1.335 1.00 0.00 C ATOM 75 C GLU A 193 -4.846 8.224 -1.556 1.00 0.00 C ATOM 76 O GLU A 193 -6.071 8.339 -1.508 1.00 0.00 O ATOM 77 CB GLU A 193 -3.769 10.201 -2.646 1.00 0.00 C ATOM 78 CG GLU A 193 -5.010 10.973 -3.060 1.00 0.00 C ATOM 79 CD GLU A 193 -5.158 11.075 -4.566 1.00 0.00 C ATOM 80 OE1 GLU A 193 -4.188 10.744 -5.280 1.00 0.00 O ATOM 81 OE2 GLU A 193 -6.242 11.486 -5.030 1.00 0.00 O ATOM 0 H GLU A 193 -2.009 8.627 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 193 -4.397 10.081 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.936 10.896 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.505 9.501 -3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -5.892 10.486 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -4.969 11.975 -2.634 1.00 0.00 H new ATOM 88 N LYS A 194 -4.239 7.067 -1.797 1.00 0.00 N ATOM 89 CA LYS A 194 -4.991 5.840 -2.025 1.00 0.00 C ATOM 90 C LYS A 194 -5.451 5.231 -0.704 1.00 0.00 C ATOM 91 O LYS A 194 -4.861 5.461 0.352 1.00 0.00 O ATOM 92 CB LYS A 194 -4.138 4.829 -2.795 1.00 0.00 C ATOM 93 CG LYS A 194 -4.212 4.995 -4.302 1.00 0.00 C ATOM 94 CD LYS A 194 -3.842 6.406 -4.727 1.00 0.00 C ATOM 95 CE LYS A 194 -3.253 6.431 -6.129 1.00 0.00 C ATOM 96 NZ LYS A 194 -1.994 7.223 -6.187 1.00 0.00 N ATOM 0 H LYS A 194 -3.226 6.954 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.872 6.088 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -3.100 4.926 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.459 3.821 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -3.541 4.282 -4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -5.220 4.763 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -4.727 7.041 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -3.123 6.822 -4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -3.056 5.411 -6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -3.981 6.854 -6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -1.624 7.216 -7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -2.187 8.203 -5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -1.291 6.804 -5.546 1.00 0.00 H new ATOM 110 N PRO A 195 -6.529 4.434 -0.761 1.00 0.00 N ATOM 111 CA PRO A 195 -7.090 3.774 0.421 1.00 0.00 C ATOM 112 C PRO A 195 -6.182 2.672 0.956 1.00 0.00 C ATOM 113 O PRO A 195 -6.210 2.353 2.145 1.00 0.00 O ATOM 114 CB PRO A 195 -8.404 3.182 -0.093 1.00 0.00 C ATOM 115 CG PRO A 195 -8.189 2.996 -1.555 1.00 0.00 C ATOM 116 CD PRO A 195 -7.282 4.115 -1.986 1.00 0.00 C ATOM 0 HA PRO A 195 -7.216 4.467 1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -8.630 2.235 0.397 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -9.243 3.851 0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -7.738 2.026 -1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -9.135 3.030 -2.096 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -6.620 3.807 -2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -7.847 4.975 -2.346 1.00 0.00 H new ATOM 124 N TYR A 196 -5.377 2.094 0.071 1.00 0.00 N ATOM 125 CA TYR A 196 -4.462 1.026 0.454 1.00 0.00 C ATOM 126 C TYR A 196 -3.159 1.596 1.005 1.00 0.00 C ATOM 127 O TYR A 196 -2.328 2.111 0.257 1.00 0.00 O ATOM 128 CB TYR A 196 -4.169 0.122 -0.746 1.00 0.00 C ATOM 129 CG TYR A 196 -5.394 -0.209 -1.568 1.00 0.00 C ATOM 130 CD1 TYR A 196 -6.189 -1.304 -1.255 1.00 0.00 C ATOM 131 CD2 TYR A 196 -5.755 0.573 -2.658 1.00 0.00 C ATOM 132 CE1 TYR A 196 -7.309 -1.611 -2.004 1.00 0.00 C ATOM 133 CE2 TYR A 196 -6.874 0.274 -3.412 1.00 0.00 C ATOM 134 CZ TYR A 196 -7.647 -0.818 -3.081 1.00 0.00 C ATOM 135 OH TYR A 196 -8.762 -1.120 -3.830 1.00 0.00 O ATOM 0 H TYR A 196 -5.340 2.347 -0.916 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.939 0.437 1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -3.433 0.609 -1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -3.719 -0.805 -0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -5.927 -1.926 -0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.151 1.429 -2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -7.916 -2.467 -1.748 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -7.141 0.893 -4.256 1.00 0.00 H new ATOM 0 HH TYR A 196 -8.860 -0.463 -4.551 1.00 0.00 H new ATOM 145 N ARG A 197 -2.988 1.500 2.320 1.00 0.00 N ATOM 146 CA ARG A 197 -1.787 2.007 2.973 1.00 0.00 C ATOM 147 C ARG A 197 -1.365 1.092 4.119 1.00 0.00 C ATOM 148 O ARG A 197 -2.003 1.063 5.172 1.00 0.00 O ATOM 149 CB ARG A 197 -2.026 3.423 3.499 1.00 0.00 C ATOM 150 CG ARG A 197 -0.905 3.941 4.384 1.00 0.00 C ATOM 151 CD ARG A 197 -0.474 5.342 3.977 1.00 0.00 C ATOM 152 NE ARG A 197 0.826 5.342 3.311 1.00 0.00 N ATOM 153 CZ ARG A 197 1.598 6.418 3.209 1.00 0.00 C ATOM 154 NH1 ARG A 197 1.203 7.574 3.726 1.00 0.00 N ATOM 155 NH2 ARG A 197 2.769 6.340 2.588 1.00 0.00 N ATOM 0 H ARG A 197 -3.666 1.076 2.954 1.00 0.00 H new ATOM 0 HA ARG A 197 -0.985 2.031 2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -2.152 4.099 2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -2.959 3.440 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -1.234 3.948 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -0.052 3.265 4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -1.222 5.773 3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -0.429 5.979 4.861 1.00 0.00 H new ATOM 0 HE ARG A 197 1.159 4.469 2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 197 0.304 7.638 4.204 1.00 0.00 H new ATOM 0 HH12 ARG A 197 1.798 8.398 3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 197 3.076 5.453 2.189 1.00 0.00 H new ATOM 0 HH22 ARG A 197 3.361 7.167 2.510 1.00 0.00 H new ATOM 169 N CYS A 198 -0.286 0.346 3.907 1.00 0.00 N ATOM 170 CA CYS A 198 0.222 -0.571 4.921 1.00 0.00 C ATOM 171 C CYS A 198 0.700 0.192 6.153 1.00 0.00 C ATOM 172 O CYS A 198 1.465 1.150 6.045 1.00 0.00 O ATOM 173 CB CYS A 198 1.367 -1.411 4.351 1.00 0.00 C ATOM 174 SG CYS A 198 1.766 -2.890 5.337 1.00 0.00 S ATOM 0 H CYS A 198 0.254 0.358 3.042 1.00 0.00 H new ATOM 0 HA CYS A 198 -0.592 -1.233 5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.107 -1.721 3.339 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.258 -0.787 4.274 1.00 0.00 H new ATOM 179 N ASP A 199 0.244 -0.241 7.323 1.00 0.00 N ATOM 180 CA ASP A 199 0.625 0.399 8.577 1.00 0.00 C ATOM 181 C ASP A 199 1.854 -0.275 9.179 1.00 0.00 C ATOM 182 O ASP A 199 2.436 0.222 10.143 1.00 0.00 O ATOM 183 CB ASP A 199 -0.536 0.354 9.572 1.00 0.00 C ATOM 184 CG ASP A 199 -1.552 1.452 9.326 1.00 0.00 C ATOM 185 OD1 ASP A 199 -1.539 2.036 8.222 1.00 0.00 O ATOM 186 OD2 ASP A 199 -2.360 1.726 10.237 1.00 0.00 O ATOM 0 H ASP A 199 -0.390 -1.033 7.429 1.00 0.00 H new ATOM 0 HA ASP A 199 0.870 1.440 8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 199 -1.030 -0.615 9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 199 -0.146 0.445 10.586 1.00 0.00 H new ATOM 191 N GLN A 200 2.242 -1.409 8.604 1.00 0.00 N ATOM 192 CA GLN A 200 3.401 -2.151 9.086 1.00 0.00 C ATOM 193 C GLN A 200 4.699 -1.483 8.643 1.00 0.00 C ATOM 194 O GLN A 200 5.683 -1.462 9.382 1.00 0.00 O ATOM 195 CB GLN A 200 3.357 -3.593 8.578 1.00 0.00 C ATOM 196 CG GLN A 200 2.111 -4.351 9.008 1.00 0.00 C ATOM 197 CD GLN A 200 2.321 -5.144 10.283 1.00 0.00 C ATOM 198 OE1 GLN A 200 3.136 -4.776 11.129 1.00 0.00 O ATOM 199 NE2 GLN A 200 1.584 -6.239 10.427 1.00 0.00 N ATOM 0 H GLN A 200 1.771 -1.833 7.805 1.00 0.00 H new ATOM 0 HA GLN A 200 3.370 -2.156 10.176 1.00 0.00 H new ATOM 0 HB2 GLN A 200 3.412 -3.588 7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 200 4.238 -4.124 8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 200 1.293 -3.645 9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 200 1.809 -5.028 8.209 1.00 0.00 H new ATOM 0 HE21 GLN A 200 0.920 -6.506 9.700 1.00 0.00 H new ATOM 0 HE22 GLN A 200 1.681 -6.813 11.265 1.00 0.00 H new ATOM 208 N CYS A 201 4.694 -0.939 7.430 1.00 0.00 N ATOM 209 CA CYS A 201 5.870 -0.271 6.887 1.00 0.00 C ATOM 210 C CYS A 201 5.564 1.187 6.558 1.00 0.00 C ATOM 211 O CYS A 201 6.429 2.055 6.672 1.00 0.00 O ATOM 212 CB CYS A 201 6.360 -0.996 5.631 1.00 0.00 C ATOM 213 SG CYS A 201 5.129 -1.076 4.291 1.00 0.00 S ATOM 0 H CYS A 201 3.888 -0.948 6.805 1.00 0.00 H new ATOM 0 HA CYS A 201 6.654 -0.298 7.644 1.00 0.00 H new ATOM 0 HB2 CYS A 201 7.253 -0.494 5.260 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.654 -2.010 5.901 1.00 0.00 H new ATOM 218 N GLY A 202 4.326 1.449 6.151 1.00 0.00 N ATOM 219 CA GLY A 202 3.927 2.803 5.813 1.00 0.00 C ATOM 220 C GLY A 202 3.975 3.066 4.321 1.00 0.00 C ATOM 221 O GLY A 202 4.388 4.141 3.884 1.00 0.00 O ATOM 0 H GLY A 202 3.592 0.748 6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.916 2.982 6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 202 4.581 3.510 6.325 1.00 0.00 H new ATOM 225 N LYS A 203 3.553 2.081 3.534 1.00 0.00 N ATOM 226 CA LYS A 203 3.550 2.210 2.082 1.00 0.00 C ATOM 227 C LYS A 203 2.152 2.541 1.569 1.00 0.00 C ATOM 228 O LYS A 203 1.208 2.667 2.348 1.00 0.00 O ATOM 229 CB LYS A 203 4.049 0.917 1.434 1.00 0.00 C ATOM 230 CG LYS A 203 5.535 0.930 1.117 1.00 0.00 C ATOM 231 CD LYS A 203 5.834 0.203 -0.183 1.00 0.00 C ATOM 232 CE LYS A 203 6.836 0.970 -1.033 1.00 0.00 C ATOM 233 NZ LYS A 203 6.800 0.538 -2.457 1.00 0.00 N ATOM 0 H LYS A 203 3.209 1.185 3.878 1.00 0.00 H new ATOM 0 HA LYS A 203 4.220 3.026 1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.835 0.081 2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.491 0.743 0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 203 5.884 1.960 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 203 6.086 0.461 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 203 6.226 -0.790 0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 203 4.910 0.064 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 203 6.623 2.037 -0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 203 7.839 0.822 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 7.497 1.084 -3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.028 -0.475 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 5.850 0.703 -2.846 1.00 0.00 H new ATOM 247 N ALA A 204 2.027 2.679 0.253 1.00 0.00 N ATOM 248 CA ALA A 204 0.744 2.992 -0.364 1.00 0.00 C ATOM 249 C ALA A 204 0.593 2.283 -1.706 1.00 0.00 C ATOM 250 O ALA A 204 1.545 2.190 -2.481 1.00 0.00 O ATOM 251 CB ALA A 204 0.595 4.496 -0.540 1.00 0.00 C ATOM 0 H ALA A 204 2.799 2.579 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.046 2.635 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.368 4.715 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.650 4.983 0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 204 1.396 4.869 -1.178 1.00 0.00 H new ATOM 257 N PHE A 205 -0.609 1.784 -1.974 1.00 0.00 N ATOM 258 CA PHE A 205 -0.884 1.082 -3.222 1.00 0.00 C ATOM 259 C PHE A 205 -2.195 1.562 -3.839 1.00 0.00 C ATOM 260 O PHE A 205 -3.012 2.197 -3.172 1.00 0.00 O ATOM 261 CB PHE A 205 -0.944 -0.428 -2.981 1.00 0.00 C ATOM 262 CG PHE A 205 0.170 -0.940 -2.113 1.00 0.00 C ATOM 263 CD1 PHE A 205 0.058 -0.913 -0.732 1.00 0.00 C ATOM 264 CD2 PHE A 205 1.328 -1.448 -2.678 1.00 0.00 C ATOM 265 CE1 PHE A 205 1.082 -1.383 0.069 1.00 0.00 C ATOM 266 CE2 PHE A 205 2.355 -1.920 -1.882 1.00 0.00 C ATOM 267 CZ PHE A 205 2.232 -1.889 -0.507 1.00 0.00 C ATOM 0 H PHE A 205 -1.408 1.853 -1.344 1.00 0.00 H new ATOM 0 HA PHE A 205 -0.074 1.300 -3.918 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -1.899 -0.676 -2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -0.912 -0.943 -3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -0.839 -0.520 -0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 205 1.430 -1.476 -3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 205 0.983 -1.355 1.144 1.00 0.00 H new ATOM 0 HE2 PHE A 205 3.253 -2.313 -2.335 1.00 0.00 H new ATOM 0 HZ PHE A 205 3.032 -2.259 0.117 1.00 0.00 H new ATOM 277 N SER A 206 -2.390 1.252 -5.117 1.00 0.00 N ATOM 278 CA SER A 206 -3.599 1.655 -5.826 1.00 0.00 C ATOM 279 C SER A 206 -4.583 0.493 -5.924 1.00 0.00 C ATOM 280 O SER A 206 -5.783 0.697 -6.101 1.00 0.00 O ATOM 281 CB SER A 206 -3.249 2.163 -7.226 1.00 0.00 C ATOM 282 OG SER A 206 -2.428 3.315 -7.160 1.00 0.00 O ATOM 0 H SER A 206 -1.726 0.723 -5.683 1.00 0.00 H new ATOM 0 HA SER A 206 -4.070 2.461 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 206 -2.736 1.379 -7.783 1.00 0.00 H new ATOM 0 HB3 SER A 206 -4.164 2.395 -7.771 1.00 0.00 H new ATOM 0 HG SER A 206 -2.217 3.619 -8.068 1.00 0.00 H new ATOM 288 N GLN A 207 -4.064 -0.725 -5.809 1.00 0.00 N ATOM 289 CA GLN A 207 -4.896 -1.920 -5.886 1.00 0.00 C ATOM 290 C GLN A 207 -4.738 -2.775 -4.633 1.00 0.00 C ATOM 291 O GLN A 207 -3.650 -2.866 -4.064 1.00 0.00 O ATOM 292 CB GLN A 207 -4.535 -2.739 -7.126 1.00 0.00 C ATOM 293 CG GLN A 207 -5.312 -2.336 -8.369 1.00 0.00 C ATOM 294 CD GLN A 207 -6.752 -2.808 -8.336 1.00 0.00 C ATOM 295 OE1 GLN A 207 -7.461 -2.608 -7.348 1.00 0.00 O ATOM 296 NE2 GLN A 207 -7.194 -3.439 -9.418 1.00 0.00 N ATOM 0 H GLN A 207 -3.072 -0.910 -5.662 1.00 0.00 H new ATOM 0 HA GLN A 207 -5.937 -1.604 -5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 207 -3.468 -2.632 -7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 207 -4.717 -3.794 -6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 207 -5.292 -1.251 -8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 207 -4.819 -2.747 -9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 207 -6.573 -3.583 -10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 207 -8.155 -3.779 -9.453 1.00 0.00 H new ATOM 305 N LYS A 208 -5.831 -3.400 -4.208 1.00 0.00 N ATOM 306 CA LYS A 208 -5.815 -4.249 -3.023 1.00 0.00 C ATOM 307 C LYS A 208 -4.858 -5.423 -3.207 1.00 0.00 C ATOM 308 O LYS A 208 -3.929 -5.608 -2.422 1.00 0.00 O ATOM 309 CB LYS A 208 -7.223 -4.768 -2.723 1.00 0.00 C ATOM 310 CG LYS A 208 -7.466 -5.050 -1.251 1.00 0.00 C ATOM 311 CD LYS A 208 -6.548 -6.146 -0.734 1.00 0.00 C ATOM 312 CE LYS A 208 -6.879 -6.517 0.704 1.00 0.00 C ATOM 313 NZ LYS A 208 -6.951 -5.318 1.584 1.00 0.00 N ATOM 0 H LYS A 208 -6.739 -3.334 -4.667 1.00 0.00 H new ATOM 0 HA LYS A 208 -5.468 -3.649 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -7.952 -4.036 -3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -7.393 -5.682 -3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -7.307 -4.139 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.505 -5.344 -1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -6.639 -7.028 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -5.512 -5.814 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -7.832 -7.046 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -6.122 -7.202 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -6.941 -5.617 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -6.134 -4.702 1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -7.829 -4.796 1.388 1.00 0.00 H new ATOM 327 N GLY A 209 -5.090 -6.212 -4.252 1.00 0.00 N ATOM 328 CA GLY A 209 -4.240 -7.357 -4.521 1.00 0.00 C ATOM 329 C GLY A 209 -2.765 -7.016 -4.437 1.00 0.00 C ATOM 330 O GLY A 209 -1.980 -7.763 -3.853 1.00 0.00 O ATOM 0 H GLY A 209 -5.852 -6.078 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -4.468 -8.150 -3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -4.464 -7.747 -5.514 1.00 0.00 H new ATOM 334 N SER A 210 -2.387 -5.884 -5.024 1.00 0.00 N ATOM 335 CA SER A 210 -0.995 -5.448 -5.018 1.00 0.00 C ATOM 336 C SER A 210 -0.430 -5.453 -3.601 1.00 0.00 C ATOM 337 O SER A 210 0.718 -5.840 -3.379 1.00 0.00 O ATOM 338 CB SER A 210 -0.875 -4.048 -5.622 1.00 0.00 C ATOM 339 OG SER A 210 -1.674 -3.924 -6.785 1.00 0.00 O ATOM 0 H SER A 210 -3.025 -5.253 -5.509 1.00 0.00 H new ATOM 0 HA SER A 210 -0.418 -6.148 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 210 -1.180 -3.304 -4.886 1.00 0.00 H new ATOM 0 HB3 SER A 210 0.167 -3.843 -5.869 1.00 0.00 H new ATOM 0 HG SER A 210 -1.355 -3.169 -7.322 1.00 0.00 H new ATOM 345 N LEU A 211 -1.245 -5.022 -2.644 1.00 0.00 N ATOM 346 CA LEU A 211 -0.828 -4.976 -1.247 1.00 0.00 C ATOM 347 C LEU A 211 -0.736 -6.381 -0.660 1.00 0.00 C ATOM 348 O LEU A 211 0.104 -6.652 0.199 1.00 0.00 O ATOM 349 CB LEU A 211 -1.808 -4.133 -0.429 1.00 0.00 C ATOM 350 CG LEU A 211 -1.734 -4.301 1.089 1.00 0.00 C ATOM 351 CD1 LEU A 211 -0.309 -4.102 1.579 1.00 0.00 C ATOM 352 CD2 LEU A 211 -2.679 -3.329 1.780 1.00 0.00 C ATOM 0 H LEU A 211 -2.198 -4.699 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 211 0.160 -4.518 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.639 -3.083 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -2.821 -4.374 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 211 -2.043 -5.316 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.276 -4.225 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.343 -4.838 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 211 0.029 -3.099 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -2.613 -3.463 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -2.401 -2.307 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -3.701 -3.520 1.453 1.00 0.00 H new ATOM 364 N ILE A 212 -1.603 -7.271 -1.130 1.00 0.00 N ATOM 365 CA ILE A 212 -1.617 -8.649 -0.654 1.00 0.00 C ATOM 366 C ILE A 212 -0.290 -9.343 -0.941 1.00 0.00 C ATOM 367 O ILE A 212 0.123 -10.243 -0.209 1.00 0.00 O ATOM 368 CB ILE A 212 -2.757 -9.457 -1.303 1.00 0.00 C ATOM 369 CG1 ILE A 212 -4.079 -8.695 -1.193 1.00 0.00 C ATOM 370 CG2 ILE A 212 -2.873 -10.826 -0.650 1.00 0.00 C ATOM 371 CD1 ILE A 212 -5.269 -9.472 -1.708 1.00 0.00 C ATOM 0 H ILE A 212 -2.305 -7.063 -1.840 1.00 0.00 H new ATOM 0 HA ILE A 212 -1.778 -8.609 0.423 1.00 0.00 H new ATOM 0 HB ILE A 212 -2.527 -9.597 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -4.251 -8.432 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -3.998 -7.761 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -3.683 -11.385 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -1.936 -11.369 -0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.083 -10.706 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -6.171 -8.870 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 212 -5.119 -9.713 -2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -5.376 -10.394 -1.137 1.00 0.00 H new ATOM 383 N VAL A 213 0.376 -8.918 -2.010 1.00 0.00 N ATOM 384 CA VAL A 213 1.658 -9.496 -2.392 1.00 0.00 C ATOM 385 C VAL A 213 2.798 -8.892 -1.579 1.00 0.00 C ATOM 386 O VAL A 213 3.926 -9.384 -1.610 1.00 0.00 O ATOM 387 CB VAL A 213 1.945 -9.285 -3.891 1.00 0.00 C ATOM 388 CG1 VAL A 213 3.172 -10.077 -4.316 1.00 0.00 C ATOM 389 CG2 VAL A 213 0.733 -9.675 -4.724 1.00 0.00 C ATOM 0 H VAL A 213 0.048 -8.175 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 213 1.596 -10.565 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 213 2.149 -8.228 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 213 3.359 -9.916 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 213 4.036 -9.746 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 213 3.001 -11.138 -4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 213 0.952 -9.520 -5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 213 0.497 -10.725 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -0.119 -9.060 -4.436 1.00 0.00 H new ATOM 399 N HIS A 214 2.495 -7.822 -0.850 1.00 0.00 N ATOM 400 CA HIS A 214 3.494 -7.151 -0.026 1.00 0.00 C ATOM 401 C HIS A 214 3.454 -7.671 1.408 1.00 0.00 C ATOM 402 O HIS A 214 4.483 -7.750 2.079 1.00 0.00 O ATOM 403 CB HIS A 214 3.264 -5.639 -0.039 1.00 0.00 C ATOM 404 CG HIS A 214 3.750 -4.949 1.198 1.00 0.00 C ATOM 405 ND1 HIS A 214 5.064 -4.571 1.382 1.00 0.00 N ATOM 406 CD2 HIS A 214 3.090 -4.566 2.316 1.00 0.00 C ATOM 407 CE1 HIS A 214 5.191 -3.987 2.560 1.00 0.00 C ATOM 408 NE2 HIS A 214 4.008 -3.971 3.147 1.00 0.00 N ATOM 0 H HIS A 214 1.566 -7.402 -0.813 1.00 0.00 H new ATOM 0 HA HIS A 214 4.478 -7.365 -0.444 1.00 0.00 H new ATOM 0 HB2 HIS A 214 3.767 -5.211 -0.906 1.00 0.00 H new ATOM 0 HB3 HIS A 214 2.199 -5.443 -0.160 1.00 0.00 H new ATOM 0 HD1 HIS A 214 5.819 -4.719 0.713 1.00 0.00 H new ATOM 0 HD2 HIS A 214 2.038 -4.703 2.517 1.00 0.00 H new ATOM 0 HE1 HIS A 214 6.107 -3.590 2.973 1.00 0.00 H new ATOM 416 N ILE A 215 2.259 -8.023 1.872 1.00 0.00 N ATOM 417 CA ILE A 215 2.086 -8.535 3.225 1.00 0.00 C ATOM 418 C ILE A 215 2.937 -9.779 3.455 1.00 0.00 C ATOM 419 O ILE A 215 3.232 -10.140 4.595 1.00 0.00 O ATOM 420 CB ILE A 215 0.612 -8.875 3.514 1.00 0.00 C ATOM 421 CG1 ILE A 215 -0.266 -7.636 3.324 1.00 0.00 C ATOM 422 CG2 ILE A 215 0.462 -9.425 4.925 1.00 0.00 C ATOM 423 CD1 ILE A 215 -1.735 -7.957 3.154 1.00 0.00 C ATOM 0 H ILE A 215 1.397 -7.963 1.330 1.00 0.00 H new ATOM 0 HA ILE A 215 2.409 -7.746 3.904 1.00 0.00 H new ATOM 0 HB ILE A 215 0.286 -9.640 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.143 -6.978 4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.081 -7.085 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -0.585 -9.661 5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 215 1.062 -10.329 5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 215 0.802 -8.680 5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -2.297 -7.032 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -1.870 -8.590 2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -2.098 -8.481 4.038 1.00 0.00 H new ATOM 435 N ARG A 216 3.330 -10.430 2.365 1.00 0.00 N ATOM 436 CA ARG A 216 4.148 -11.634 2.448 1.00 0.00 C ATOM 437 C ARG A 216 5.422 -11.372 3.246 1.00 0.00 C ATOM 438 O ARG A 216 6.006 -12.290 3.822 1.00 0.00 O ATOM 439 CB ARG A 216 4.505 -12.131 1.046 1.00 0.00 C ATOM 440 CG ARG A 216 3.311 -12.226 0.111 1.00 0.00 C ATOM 441 CD ARG A 216 3.092 -13.652 -0.371 1.00 0.00 C ATOM 442 NE ARG A 216 4.277 -14.193 -1.032 1.00 0.00 N ATOM 443 CZ ARG A 216 4.597 -13.935 -2.295 1.00 0.00 C ATOM 444 NH1 ARG A 216 3.825 -13.146 -3.030 1.00 0.00 N ATOM 445 NH2 ARG A 216 5.691 -14.465 -2.826 1.00 0.00 N ATOM 0 H ARG A 216 3.095 -10.144 1.414 1.00 0.00 H new ATOM 0 HA ARG A 216 3.569 -12.401 2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 216 5.245 -11.460 0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 216 4.972 -13.113 1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 216 2.417 -11.873 0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 216 3.466 -11.571 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 216 2.829 -14.285 0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 216 2.249 -13.676 -1.061 1.00 0.00 H new ATOM 0 HE ARG A 216 4.893 -14.803 -0.494 1.00 0.00 H new ATOM 0 HH11 ARG A 216 2.983 -12.736 -2.626 1.00 0.00 H new ATOM 0 HH12 ARG A 216 4.073 -12.949 -4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 216 6.288 -15.072 -2.264 1.00 0.00 H new ATOM 0 HH22 ARG A 216 5.935 -14.266 -3.796 1.00 0.00 H new ATOM 459 N VAL A 217 5.848 -10.113 3.274 1.00 0.00 N ATOM 460 CA VAL A 217 7.052 -9.729 4.001 1.00 0.00 C ATOM 461 C VAL A 217 6.748 -9.477 5.473 1.00 0.00 C ATOM 462 O VAL A 217 7.624 -9.601 6.330 1.00 0.00 O ATOM 463 CB VAL A 217 7.695 -8.467 3.396 1.00 0.00 C ATOM 464 CG1 VAL A 217 7.910 -8.641 1.901 1.00 0.00 C ATOM 465 CG2 VAL A 217 6.836 -7.244 3.681 1.00 0.00 C ATOM 0 H VAL A 217 5.377 -9.342 2.801 1.00 0.00 H new ATOM 0 HA VAL A 217 7.752 -10.560 3.915 1.00 0.00 H new ATOM 0 HB VAL A 217 8.668 -8.316 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 217 8.365 -7.739 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 217 8.568 -9.492 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 217 6.951 -8.817 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 217 7.305 -6.361 3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 217 5.848 -7.383 3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 217 6.739 -7.110 4.758 1.00 0.00 H new ATOM 475 N HIS A 218 5.500 -9.121 5.761 1.00 0.00 N ATOM 476 CA HIS A 218 5.079 -8.851 7.132 1.00 0.00 C ATOM 477 C HIS A 218 4.498 -10.105 7.778 1.00 0.00 C ATOM 478 O HIS A 218 5.138 -10.739 8.617 1.00 0.00 O ATOM 479 CB HIS A 218 4.046 -7.724 7.158 1.00 0.00 C ATOM 480 CG HIS A 218 4.609 -6.387 6.784 1.00 0.00 C ATOM 481 ND1 HIS A 218 5.663 -5.801 7.454 1.00 0.00 N ATOM 482 CD2 HIS A 218 4.261 -5.523 5.803 1.00 0.00 C ATOM 483 CE1 HIS A 218 5.936 -4.632 6.902 1.00 0.00 C ATOM 484 NE2 HIS A 218 5.100 -4.440 5.898 1.00 0.00 N ATOM 0 H HIS A 218 4.763 -9.013 5.064 1.00 0.00 H new ATOM 0 HA HIS A 218 5.956 -8.543 7.702 1.00 0.00 H new ATOM 0 HB2 HIS A 218 3.234 -7.971 6.475 1.00 0.00 H new ATOM 0 HB3 HIS A 218 3.614 -7.661 8.157 1.00 0.00 H new ATOM 0 HD1 HIS A 218 6.154 -6.207 8.251 1.00 0.00 H new ATOM 0 HD2 HIS A 218 3.471 -5.660 5.080 1.00 0.00 H new ATOM 0 HE1 HIS A 218 6.711 -3.950 7.218 1.00 0.00 H new ATOM 492 N THR A 219 3.278 -10.458 7.382 1.00 0.00 N ATOM 493 CA THR A 219 2.610 -11.634 7.924 1.00 0.00 C ATOM 494 C THR A 219 2.607 -12.778 6.916 1.00 0.00 C ATOM 495 O THR A 219 2.615 -12.553 5.707 1.00 0.00 O ATOM 496 CB THR A 219 1.157 -11.318 8.328 1.00 0.00 C ATOM 497 OG1 THR A 219 1.020 -9.921 8.611 1.00 0.00 O ATOM 498 CG2 THR A 219 0.746 -12.131 9.547 1.00 0.00 C ATOM 0 H THR A 219 2.733 -9.946 6.688 1.00 0.00 H new ATOM 0 HA THR A 219 3.169 -11.935 8.810 1.00 0.00 H new ATOM 0 HB THR A 219 0.505 -11.585 7.496 1.00 0.00 H new ATOM 0 HG1 THR A 219 0.093 -9.728 8.865 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.283 -11.891 9.814 1.00 0.00 H new ATOM 0 HG22 THR A 219 0.824 -13.194 9.318 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.403 -11.891 10.383 1.00 0.00 H new ATOM 506 N GLY A 220 2.597 -14.007 7.423 1.00 0.00 N ATOM 507 CA GLY A 220 2.593 -15.169 6.553 1.00 0.00 C ATOM 508 C GLY A 220 1.503 -15.102 5.502 1.00 0.00 C ATOM 509 O GLY A 220 0.332 -15.343 5.796 1.00 0.00 O ATOM 0 H GLY A 220 2.592 -14.219 8.421 1.00 0.00 H new ATOM 0 HA2 GLY A 220 3.562 -15.255 6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.459 -16.069 7.154 1.00 0.00 H new ATOM 513 N SER A 221 1.888 -14.772 4.273 1.00 0.00 N ATOM 514 CA SER A 221 0.933 -14.669 3.175 1.00 0.00 C ATOM 515 C SER A 221 1.224 -15.714 2.103 1.00 0.00 C ATOM 516 O SER A 221 0.330 -16.128 1.365 1.00 0.00 O ATOM 517 CB SER A 221 0.978 -13.268 2.563 1.00 0.00 C ATOM 518 OG SER A 221 -0.320 -12.703 2.487 1.00 0.00 O ATOM 0 H SER A 221 2.854 -14.572 4.013 1.00 0.00 H new ATOM 0 HA SER A 221 -0.065 -14.852 3.575 1.00 0.00 H new ATOM 0 HB2 SER A 221 1.623 -12.626 3.163 1.00 0.00 H new ATOM 0 HB3 SER A 221 1.416 -13.317 1.566 1.00 0.00 H new ATOM 0 HG SER A 221 -0.264 -11.807 2.094 1.00 0.00 H new ATOM 524 N GLY A 222 2.482 -16.137 2.023 1.00 0.00 N ATOM 525 CA GLY A 222 2.869 -17.130 1.038 1.00 0.00 C ATOM 526 C GLY A 222 4.189 -17.796 1.374 1.00 0.00 C ATOM 527 O GLY A 222 4.947 -17.327 2.224 1.00 0.00 O ATOM 0 H GLY A 222 3.240 -15.810 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 222 2.090 -17.889 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 222 2.943 -16.657 0.059 1.00 0.00 H new ATOM 531 N PRO A 223 4.480 -18.917 0.698 1.00 0.00 N ATOM 532 CA PRO A 223 5.717 -19.673 0.914 1.00 0.00 C ATOM 533 C PRO A 223 6.947 -18.930 0.403 1.00 0.00 C ATOM 534 O PRO A 223 6.866 -17.760 0.027 1.00 0.00 O ATOM 535 CB PRO A 223 5.495 -20.955 0.107 1.00 0.00 C ATOM 536 CG PRO A 223 4.516 -20.574 -0.948 1.00 0.00 C ATOM 537 CD PRO A 223 3.624 -19.533 -0.329 1.00 0.00 C ATOM 0 HA PRO A 223 5.908 -19.847 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 223 6.427 -21.315 -0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 223 5.107 -21.756 0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 223 5.024 -20.179 -1.828 1.00 0.00 H new ATOM 0 HG3 PRO A 223 3.938 -21.439 -1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 223 3.289 -18.802 -1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 223 2.730 -19.978 0.107 1.00 0.00 H new ATOM 545 N SER A 224 8.085 -19.616 0.392 1.00 0.00 N ATOM 546 CA SER A 224 9.333 -19.019 -0.069 1.00 0.00 C ATOM 547 C SER A 224 9.616 -19.403 -1.518 1.00 0.00 C ATOM 548 O SER A 224 10.301 -20.390 -1.788 1.00 0.00 O ATOM 549 CB SER A 224 10.495 -19.460 0.823 1.00 0.00 C ATOM 550 OG SER A 224 10.496 -20.866 1.001 1.00 0.00 O ATOM 0 H SER A 224 8.169 -20.586 0.697 1.00 0.00 H new ATOM 0 HA SER A 224 9.231 -17.935 -0.011 1.00 0.00 H new ATOM 0 HB2 SER A 224 11.439 -19.146 0.378 1.00 0.00 H new ATOM 0 HB3 SER A 224 10.421 -18.968 1.793 1.00 0.00 H new ATOM 0 HG SER A 224 10.412 -21.306 0.129 1.00 0.00 H new ATOM 556 N SER A 225 9.083 -18.616 -2.447 1.00 0.00 N ATOM 557 CA SER A 225 9.275 -18.874 -3.869 1.00 0.00 C ATOM 558 C SER A 225 10.554 -18.214 -4.374 1.00 0.00 C ATOM 559 O SER A 225 11.482 -18.891 -4.815 1.00 0.00 O ATOM 560 CB SER A 225 8.074 -18.363 -4.668 1.00 0.00 C ATOM 561 OG SER A 225 7.550 -17.176 -4.098 1.00 0.00 O ATOM 0 H SER A 225 8.515 -17.794 -2.240 1.00 0.00 H new ATOM 0 HA SER A 225 9.364 -19.951 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 225 8.373 -18.174 -5.699 1.00 0.00 H new ATOM 0 HB3 SER A 225 7.299 -19.129 -4.696 1.00 0.00 H new ATOM 0 HG SER A 225 6.785 -16.869 -4.628 1.00 0.00 H new ATOM 567 N GLY A 226 10.595 -16.887 -4.306 1.00 0.00 N ATOM 568 CA GLY A 226 11.764 -16.157 -4.760 1.00 0.00 C ATOM 569 C GLY A 226 11.474 -14.688 -4.997 1.00 0.00 C ATOM 570 O GLY A 226 11.048 -14.004 -4.067 1.00 0.00 O ATOM 0 H GLY A 226 9.840 -16.305 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 226 12.558 -16.253 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 226 12.133 -16.605 -5.683 1.00 0.00 H new TER 574 GLY A 226 HETATM 575 ZN ZN A 301 4.056 -3.146 4.857 1.00 0.00 ZN