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 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= -0.107 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=0.000832 USER MOD Single : A 207 GLN : amide:sc= -0.646 K(o=-0.65,f=-2.9!) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 SER OG : rot 180:sc= -0.667 USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot -58:sc= 0.961 USER MOD Single : A 224 SER OG : rot 6:sc= 0.619 USER MOD Single : A 225 SER OG : rot 180:sc= 0.128 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 185 16.470 3.138 11.518 1.00 0.00 N ATOM 2 CA GLY A 185 15.511 2.552 10.600 1.00 0.00 C ATOM 3 C GLY A 185 14.105 3.075 10.819 1.00 0.00 C ATOM 4 O GLY A 185 13.918 4.158 11.373 1.00 0.00 O ATOM 0 HA2 GLY A 185 15.818 2.762 9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 185 15.515 1.468 10.718 1.00 0.00 H new ATOM 8 N SER A 186 13.114 2.305 10.381 1.00 0.00 N ATOM 9 CA SER A 186 11.718 2.700 10.527 1.00 0.00 C ATOM 10 C SER A 186 11.468 4.062 9.887 1.00 0.00 C ATOM 11 O SER A 186 11.425 5.084 10.572 1.00 0.00 O ATOM 12 CB SER A 186 11.329 2.740 12.006 1.00 0.00 C ATOM 13 OG SER A 186 10.610 1.576 12.376 1.00 0.00 O ATOM 0 H SER A 186 13.252 1.404 9.922 1.00 0.00 H new ATOM 0 HA SER A 186 11.102 1.960 10.016 1.00 0.00 H new ATOM 0 HB2 SER A 186 12.226 2.827 12.619 1.00 0.00 H new ATOM 0 HB3 SER A 186 10.722 3.624 12.202 1.00 0.00 H new ATOM 0 HG SER A 186 10.375 1.625 13.326 1.00 0.00 H new ATOM 19 N SER A 187 11.305 4.068 8.567 1.00 0.00 N ATOM 20 CA SER A 187 11.064 5.304 7.832 1.00 0.00 C ATOM 21 C SER A 187 9.764 5.219 7.039 1.00 0.00 C ATOM 22 O SER A 187 9.243 4.132 6.794 1.00 0.00 O ATOM 23 CB SER A 187 12.232 5.597 6.889 1.00 0.00 C ATOM 24 OG SER A 187 13.411 5.901 7.616 1.00 0.00 O ATOM 0 H SER A 187 11.336 3.231 7.985 1.00 0.00 H new ATOM 0 HA SER A 187 10.977 6.116 8.554 1.00 0.00 H new ATOM 0 HB2 SER A 187 12.410 4.735 6.246 1.00 0.00 H new ATOM 0 HB3 SER A 187 11.977 6.433 6.238 1.00 0.00 H new ATOM 0 HG SER A 187 14.143 6.083 6.991 1.00 0.00 H new ATOM 30 N GLY A 188 9.245 6.376 6.640 1.00 0.00 N ATOM 31 CA GLY A 188 8.010 6.412 5.878 1.00 0.00 C ATOM 32 C GLY A 188 7.543 7.827 5.598 1.00 0.00 C ATOM 33 O GLY A 188 8.351 8.710 5.313 1.00 0.00 O ATOM 0 H GLY A 188 9.658 7.289 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 188 8.154 5.887 4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 188 7.233 5.878 6.425 1.00 0.00 H new ATOM 37 N SER A 189 6.234 8.042 5.678 1.00 0.00 N ATOM 38 CA SER A 189 5.659 9.359 5.425 1.00 0.00 C ATOM 39 C SER A 189 6.139 9.914 4.088 1.00 0.00 C ATOM 40 O SER A 189 6.833 10.929 4.038 1.00 0.00 O ATOM 41 CB SER A 189 6.028 10.324 6.553 1.00 0.00 C ATOM 42 OG SER A 189 5.980 9.679 7.814 1.00 0.00 O ATOM 0 H SER A 189 5.552 7.322 5.916 1.00 0.00 H new ATOM 0 HA SER A 189 4.575 9.254 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.028 10.722 6.383 1.00 0.00 H new ATOM 0 HB3 SER A 189 5.343 11.172 6.549 1.00 0.00 H new ATOM 0 HG SER A 189 6.222 10.317 8.517 1.00 0.00 H new ATOM 48 N SER A 190 5.765 9.238 3.006 1.00 0.00 N ATOM 49 CA SER A 190 6.161 9.661 1.667 1.00 0.00 C ATOM 50 C SER A 190 5.006 9.498 0.683 1.00 0.00 C ATOM 51 O SER A 190 5.135 8.823 -0.337 1.00 0.00 O ATOM 52 CB SER A 190 7.369 8.852 1.190 1.00 0.00 C ATOM 53 OG SER A 190 7.168 7.465 1.397 1.00 0.00 O ATOM 0 H SER A 190 5.189 8.396 3.030 1.00 0.00 H new ATOM 0 HA SER A 190 6.433 10.716 1.711 1.00 0.00 H new ATOM 0 HB2 SER A 190 7.543 9.043 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 190 8.262 9.177 1.724 1.00 0.00 H new ATOM 0 HG SER A 190 7.953 6.970 1.082 1.00 0.00 H new ATOM 59 N GLY A 191 3.875 10.124 0.999 1.00 0.00 N ATOM 60 CA GLY A 191 2.713 10.037 0.133 1.00 0.00 C ATOM 61 C GLY A 191 1.613 9.177 0.725 1.00 0.00 C ATOM 62 O GLY A 191 1.860 8.370 1.619 1.00 0.00 O ATOM 0 H GLY A 191 3.743 10.689 1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 191 2.326 11.039 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 191 3.012 9.626 -0.831 1.00 0.00 H new ATOM 66 N GLY A 192 0.394 9.353 0.224 1.00 0.00 N ATOM 67 CA GLY A 192 -0.730 8.581 0.722 1.00 0.00 C ATOM 68 C GLY A 192 -2.062 9.121 0.242 1.00 0.00 C ATOM 69 O GLY A 192 -2.757 9.819 0.979 1.00 0.00 O ATOM 0 H GLY A 192 0.165 10.016 -0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -0.625 7.544 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -0.713 8.581 1.812 1.00 0.00 H new ATOM 73 N GLU A 193 -2.417 8.799 -0.998 1.00 0.00 N ATOM 74 CA GLU A 193 -3.674 9.260 -1.576 1.00 0.00 C ATOM 75 C GLU A 193 -4.649 8.099 -1.753 1.00 0.00 C ATOM 76 O GLU A 193 -5.866 8.289 -1.748 1.00 0.00 O ATOM 77 CB GLU A 193 -3.423 9.940 -2.924 1.00 0.00 C ATOM 78 CG GLU A 193 -3.884 11.387 -2.970 1.00 0.00 C ATOM 79 CD GLU A 193 -3.088 12.221 -3.955 1.00 0.00 C ATOM 80 OE1 GLU A 193 -1.842 12.215 -3.865 1.00 0.00 O ATOM 81 OE2 GLU A 193 -3.709 12.880 -4.815 1.00 0.00 O ATOM 0 H GLU A 193 -1.853 8.221 -1.621 1.00 0.00 H new ATOM 0 HA GLU A 193 -4.116 9.983 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.357 9.900 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.935 9.379 -3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.939 11.420 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -3.797 11.824 -1.975 1.00 0.00 H new ATOM 88 N LYS A 194 -4.106 6.897 -1.911 1.00 0.00 N ATOM 89 CA LYS A 194 -4.925 5.704 -2.090 1.00 0.00 C ATOM 90 C LYS A 194 -5.375 5.146 -0.743 1.00 0.00 C ATOM 91 O LYS A 194 -4.742 5.367 0.290 1.00 0.00 O ATOM 92 CB LYS A 194 -4.147 4.637 -2.862 1.00 0.00 C ATOM 93 CG LYS A 194 -3.915 4.989 -4.321 1.00 0.00 C ATOM 94 CD LYS A 194 -5.179 4.810 -5.145 1.00 0.00 C ATOM 95 CE LYS A 194 -5.855 6.144 -5.426 1.00 0.00 C ATOM 96 NZ LYS A 194 -7.334 6.006 -5.526 1.00 0.00 N ATOM 0 H LYS A 194 -3.101 6.723 -1.919 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.810 5.984 -2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -3.183 4.480 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.689 3.693 -2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -3.573 6.021 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -3.123 4.360 -4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -4.934 4.319 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -5.870 4.155 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -5.609 6.850 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -5.465 6.560 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -7.757 6.936 -5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -7.570 5.352 -6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -7.709 5.633 -4.631 1.00 0.00 H new ATOM 110 N PRO A 195 -6.493 4.405 -0.752 1.00 0.00 N ATOM 111 CA PRO A 195 -7.050 3.798 0.460 1.00 0.00 C ATOM 112 C PRO A 195 -6.183 2.662 0.991 1.00 0.00 C ATOM 113 O PRO A 195 -6.218 2.344 2.180 1.00 0.00 O ATOM 114 CB PRO A 195 -8.408 3.264 -0.002 1.00 0.00 C ATOM 115 CG PRO A 195 -8.248 3.039 -1.466 1.00 0.00 C ATOM 116 CD PRO A 195 -7.298 4.101 -1.947 1.00 0.00 C ATOM 0 HA PRO A 195 -7.115 4.513 1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -8.667 2.340 0.515 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -9.205 3.978 0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -7.854 2.043 -1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -9.207 3.112 -1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -6.678 3.743 -2.769 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -7.829 4.982 -2.308 1.00 0.00 H new ATOM 124 N TYR A 196 -5.406 2.053 0.103 1.00 0.00 N ATOM 125 CA TYR A 196 -4.531 0.949 0.482 1.00 0.00 C ATOM 126 C TYR A 196 -3.192 1.468 0.997 1.00 0.00 C ATOM 127 O TYR A 196 -2.315 1.837 0.215 1.00 0.00 O ATOM 128 CB TYR A 196 -4.305 0.017 -0.709 1.00 0.00 C ATOM 129 CG TYR A 196 -5.564 -0.280 -1.493 1.00 0.00 C ATOM 130 CD1 TYR A 196 -6.398 -1.332 -1.134 1.00 0.00 C ATOM 131 CD2 TYR A 196 -5.920 0.494 -2.591 1.00 0.00 C ATOM 132 CE1 TYR A 196 -7.548 -1.607 -1.848 1.00 0.00 C ATOM 133 CE2 TYR A 196 -7.070 0.227 -3.310 1.00 0.00 C ATOM 134 CZ TYR A 196 -7.880 -0.824 -2.935 1.00 0.00 C ATOM 135 OH TYR A 196 -9.026 -1.094 -3.647 1.00 0.00 O ATOM 0 H TYR A 196 -5.364 2.305 -0.885 1.00 0.00 H new ATOM 0 HA TYR A 196 -5.017 0.392 1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -3.569 0.466 -1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -3.881 -0.921 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -6.143 -1.945 -0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.288 1.318 -2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.184 -2.430 -1.557 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -7.333 0.838 -4.161 1.00 0.00 H new ATOM 0 HH TYR A 196 -9.115 -0.450 -4.380 1.00 0.00 H new ATOM 145 N ARG A 197 -3.042 1.493 2.317 1.00 0.00 N ATOM 146 CA ARG A 197 -1.811 1.966 2.938 1.00 0.00 C ATOM 147 C ARG A 197 -1.393 1.051 4.085 1.00 0.00 C ATOM 148 O ARG A 197 -2.055 0.996 5.122 1.00 0.00 O ATOM 149 CB ARG A 197 -1.991 3.396 3.451 1.00 0.00 C ATOM 150 CG ARG A 197 -0.745 3.968 4.109 1.00 0.00 C ATOM 151 CD ARG A 197 -1.089 4.746 5.370 1.00 0.00 C ATOM 152 NE ARG A 197 -0.127 5.814 5.633 1.00 0.00 N ATOM 153 CZ ARG A 197 -0.293 6.736 6.574 1.00 0.00 C ATOM 154 NH1 ARG A 197 -1.377 6.722 7.338 1.00 0.00 N ATOM 155 NH2 ARG A 197 0.626 7.676 6.753 1.00 0.00 N ATOM 0 H ARG A 197 -3.758 1.191 2.977 1.00 0.00 H new ATOM 0 HA ARG A 197 -1.025 1.954 2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -2.280 4.038 2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -2.812 3.415 4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -0.058 3.158 4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -0.228 4.622 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -2.087 5.173 5.272 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -1.116 4.065 6.220 1.00 0.00 H new ATOM 0 HE ARG A 197 0.718 5.853 5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -2.086 6.001 7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -1.501 7.432 8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 197 1.461 7.691 6.167 1.00 0.00 H new ATOM 0 HH22 ARG A 197 0.497 8.384 7.476 1.00 0.00 H new ATOM 169 N CYS A 198 -0.292 0.333 3.891 1.00 0.00 N ATOM 170 CA CYS A 198 0.215 -0.581 4.908 1.00 0.00 C ATOM 171 C CYS A 198 0.699 0.186 6.136 1.00 0.00 C ATOM 172 O CYS A 198 1.460 1.146 6.020 1.00 0.00 O ATOM 173 CB CYS A 198 1.355 -1.428 4.340 1.00 0.00 C ATOM 174 SG CYS A 198 1.749 -2.905 5.331 1.00 0.00 S ATOM 0 H CYS A 198 0.267 0.366 3.038 1.00 0.00 H new ATOM 0 HA CYS A 198 -0.601 -1.238 5.210 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.092 -1.741 3.330 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.248 -0.809 4.260 1.00 0.00 H new ATOM 179 N ASP A 199 0.252 -0.247 7.310 1.00 0.00 N ATOM 180 CA ASP A 199 0.641 0.397 8.560 1.00 0.00 C ATOM 181 C ASP A 199 1.870 -0.279 9.160 1.00 0.00 C ATOM 182 O ASP A 199 2.465 0.228 10.111 1.00 0.00 O ATOM 183 CB ASP A 199 -0.517 0.358 9.559 1.00 0.00 C ATOM 184 CG ASP A 199 -1.488 1.506 9.364 1.00 0.00 C ATOM 185 OD1 ASP A 199 -1.064 2.560 8.845 1.00 0.00 O ATOM 186 OD2 ASP A 199 -2.672 1.351 9.732 1.00 0.00 O ATOM 0 H ASP A 199 -0.379 -1.040 7.422 1.00 0.00 H new ATOM 0 HA ASP A 199 0.890 1.436 8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 199 -1.050 -0.587 9.456 1.00 0.00 H new ATOM 0 HB3 ASP A 199 -0.119 0.390 10.573 1.00 0.00 H new ATOM 191 N GLN A 200 2.243 -1.424 8.598 1.00 0.00 N ATOM 192 CA GLN A 200 3.400 -2.169 9.080 1.00 0.00 C ATOM 193 C GLN A 200 4.699 -1.507 8.632 1.00 0.00 C ATOM 194 O GLN A 200 5.684 -1.485 9.371 1.00 0.00 O ATOM 195 CB GLN A 200 3.350 -3.612 8.575 1.00 0.00 C ATOM 196 CG GLN A 200 2.113 -4.372 9.028 1.00 0.00 C ATOM 197 CD GLN A 200 1.898 -4.297 10.527 1.00 0.00 C ATOM 198 OE1 GLN A 200 2.736 -4.745 11.309 1.00 0.00 O ATOM 199 NE2 GLN A 200 0.770 -3.728 10.935 1.00 0.00 N ATOM 0 H GLN A 200 1.761 -1.856 7.809 1.00 0.00 H new ATOM 0 HA GLN A 200 3.371 -2.171 10.170 1.00 0.00 H new ATOM 0 HB2 GLN A 200 3.386 -3.608 7.486 1.00 0.00 H new ATOM 0 HB3 GLN A 200 4.238 -4.140 8.921 1.00 0.00 H new ATOM 0 HG2 GLN A 200 1.237 -3.970 8.519 1.00 0.00 H new ATOM 0 HG3 GLN A 200 2.203 -5.416 8.730 1.00 0.00 H new ATOM 0 HE21 GLN A 200 0.103 -3.370 10.251 1.00 0.00 H new ATOM 0 HE22 GLN A 200 0.570 -3.649 11.932 1.00 0.00 H new ATOM 208 N CYS A 201 4.694 -0.968 7.418 1.00 0.00 N ATOM 209 CA CYS A 201 5.872 -0.305 6.870 1.00 0.00 C ATOM 210 C CYS A 201 5.572 1.156 6.546 1.00 0.00 C ATOM 211 O CYS A 201 6.443 2.018 6.657 1.00 0.00 O ATOM 212 CB CYS A 201 6.352 -1.030 5.612 1.00 0.00 C ATOM 213 SG CYS A 201 5.114 -1.102 4.277 1.00 0.00 S ATOM 0 H CYS A 201 3.887 -0.977 6.794 1.00 0.00 H new ATOM 0 HA CYS A 201 6.660 -0.338 7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 201 7.246 -0.532 5.237 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.642 -2.046 5.879 1.00 0.00 H new ATOM 218 N GLY A 202 4.333 1.426 6.145 1.00 0.00 N ATOM 219 CA GLY A 202 3.941 2.782 5.811 1.00 0.00 C ATOM 220 C GLY A 202 4.026 3.061 4.324 1.00 0.00 C ATOM 221 O GLY A 202 4.582 4.077 3.906 1.00 0.00 O ATOM 0 H GLY A 202 3.594 0.730 6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.921 2.956 6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 202 4.580 3.484 6.346 1.00 0.00 H new ATOM 225 N LYS A 203 3.476 2.157 3.522 1.00 0.00 N ATOM 226 CA LYS A 203 3.492 2.309 2.072 1.00 0.00 C ATOM 227 C LYS A 203 2.092 2.601 1.540 1.00 0.00 C ATOM 228 O LYS A 203 1.134 2.695 2.306 1.00 0.00 O ATOM 229 CB LYS A 203 4.045 1.044 1.412 1.00 0.00 C ATOM 230 CG LYS A 203 5.501 1.162 0.995 1.00 0.00 C ATOM 231 CD LYS A 203 6.098 -0.194 0.661 1.00 0.00 C ATOM 232 CE LYS A 203 6.637 -0.232 -0.760 1.00 0.00 C ATOM 233 NZ LYS A 203 6.452 -1.569 -1.389 1.00 0.00 N ATOM 0 H LYS A 203 3.013 1.310 3.852 1.00 0.00 H new ATOM 0 HA LYS A 203 4.138 3.152 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.941 0.208 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.442 0.809 0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 203 5.580 1.818 0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 203 6.074 1.625 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 203 6.901 -0.421 1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 203 5.339 -0.967 0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 203 6.132 0.525 -1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 203 7.697 0.022 -0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 6.833 -1.553 -2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 6.955 -2.288 -0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 5.439 -1.801 -1.419 1.00 0.00 H new ATOM 247 N ALA A 204 1.982 2.743 0.223 1.00 0.00 N ATOM 248 CA ALA A 204 0.700 3.022 -0.411 1.00 0.00 C ATOM 249 C ALA A 204 0.555 2.250 -1.718 1.00 0.00 C ATOM 250 O ALA A 204 1.509 2.124 -2.486 1.00 0.00 O ATOM 251 CB ALA A 204 0.546 4.515 -0.658 1.00 0.00 C ATOM 0 H ALA A 204 2.766 2.669 -0.425 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.090 2.694 0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.416 4.708 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.596 5.048 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 204 1.348 4.860 -1.311 1.00 0.00 H new ATOM 257 N PHE A 205 -0.645 1.735 -1.966 1.00 0.00 N ATOM 258 CA PHE A 205 -0.915 0.974 -3.180 1.00 0.00 C ATOM 259 C PHE A 205 -2.197 1.458 -3.852 1.00 0.00 C ATOM 260 O PHE A 205 -3.106 1.960 -3.191 1.00 0.00 O ATOM 261 CB PHE A 205 -1.026 -0.517 -2.859 1.00 0.00 C ATOM 262 CG PHE A 205 0.078 -1.024 -1.975 1.00 0.00 C ATOM 263 CD1 PHE A 205 -0.013 -0.913 -0.597 1.00 0.00 C ATOM 264 CD2 PHE A 205 1.207 -1.611 -2.523 1.00 0.00 C ATOM 265 CE1 PHE A 205 1.002 -1.378 0.218 1.00 0.00 C ATOM 266 CE2 PHE A 205 2.224 -2.079 -1.713 1.00 0.00 C ATOM 267 CZ PHE A 205 2.122 -1.961 -0.340 1.00 0.00 C ATOM 0 H PHE A 205 -1.446 1.831 -1.342 1.00 0.00 H new ATOM 0 HA PHE A 205 -0.084 1.129 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -1.984 -0.706 -2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -1.023 -1.082 -3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -0.887 -0.458 -0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 205 1.293 -1.704 -3.596 1.00 0.00 H new ATOM 0 HE1 PHE A 205 0.919 -1.285 1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 205 3.098 -2.537 -2.153 1.00 0.00 H new ATOM 0 HZ PHE A 205 2.917 -2.324 0.295 1.00 0.00 H new ATOM 277 N SER A 206 -2.261 1.304 -5.171 1.00 0.00 N ATOM 278 CA SER A 206 -3.429 1.729 -5.934 1.00 0.00 C ATOM 279 C SER A 206 -4.517 0.659 -5.902 1.00 0.00 C ATOM 280 O SER A 206 -5.705 0.966 -5.993 1.00 0.00 O ATOM 281 CB SER A 206 -3.036 2.030 -7.382 1.00 0.00 C ATOM 282 OG SER A 206 -1.657 2.341 -7.482 1.00 0.00 O ATOM 0 H SER A 206 -1.518 0.888 -5.733 1.00 0.00 H new ATOM 0 HA SER A 206 -3.822 2.636 -5.476 1.00 0.00 H new ATOM 0 HB2 SER A 206 -3.264 1.169 -8.011 1.00 0.00 H new ATOM 0 HB3 SER A 206 -3.628 2.865 -7.757 1.00 0.00 H new ATOM 0 HG SER A 206 -1.431 2.528 -8.417 1.00 0.00 H new ATOM 288 N GLN A 207 -4.100 -0.596 -5.774 1.00 0.00 N ATOM 289 CA GLN A 207 -5.038 -1.711 -5.731 1.00 0.00 C ATOM 290 C GLN A 207 -4.857 -2.526 -4.454 1.00 0.00 C ATOM 291 O GLN A 207 -3.848 -2.398 -3.760 1.00 0.00 O ATOM 292 CB GLN A 207 -4.851 -2.610 -6.954 1.00 0.00 C ATOM 293 CG GLN A 207 -5.195 -1.928 -8.269 1.00 0.00 C ATOM 294 CD GLN A 207 -6.663 -1.568 -8.373 1.00 0.00 C ATOM 295 OE1 GLN A 207 -7.451 -1.859 -7.472 1.00 0.00 O ATOM 296 NE2 GLN A 207 -7.040 -0.929 -9.475 1.00 0.00 N ATOM 0 H GLN A 207 -3.119 -0.866 -5.698 1.00 0.00 H new ATOM 0 HA GLN A 207 -6.049 -1.303 -5.740 1.00 0.00 H new ATOM 0 HB2 GLN A 207 -3.816 -2.949 -6.990 1.00 0.00 H new ATOM 0 HB3 GLN A 207 -5.474 -3.497 -6.841 1.00 0.00 H new ATOM 0 HG2 GLN A 207 -4.595 -1.024 -8.373 1.00 0.00 H new ATOM 0 HG3 GLN A 207 -4.927 -2.585 -9.096 1.00 0.00 H new ATOM 0 HE21 GLN A 207 -6.354 -0.708 -10.196 1.00 0.00 H new ATOM 0 HE22 GLN A 207 -8.016 -0.660 -9.600 1.00 0.00 H new ATOM 305 N LYS A 208 -5.842 -3.365 -4.149 1.00 0.00 N ATOM 306 CA LYS A 208 -5.792 -4.202 -2.956 1.00 0.00 C ATOM 307 C LYS A 208 -4.863 -5.393 -3.166 1.00 0.00 C ATOM 308 O LYS A 208 -3.953 -5.629 -2.372 1.00 0.00 O ATOM 309 CB LYS A 208 -7.196 -4.694 -2.595 1.00 0.00 C ATOM 310 CG LYS A 208 -7.402 -4.903 -1.105 1.00 0.00 C ATOM 311 CD LYS A 208 -7.008 -6.307 -0.679 1.00 0.00 C ATOM 312 CE LYS A 208 -6.530 -6.338 0.765 1.00 0.00 C ATOM 313 NZ LYS A 208 -7.640 -6.639 1.711 1.00 0.00 N ATOM 0 H LYS A 208 -6.684 -3.483 -4.712 1.00 0.00 H new ATOM 0 HA LYS A 208 -5.402 -3.600 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -7.929 -3.973 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -7.388 -5.632 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -6.812 -4.174 -0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.447 -4.725 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -7.860 -6.976 -0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -6.219 -6.679 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -5.748 -7.089 0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -6.086 -5.376 1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -7.273 -6.651 2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -8.375 -5.908 1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -8.048 -7.568 1.483 1.00 0.00 H new ATOM 327 N GLY A 209 -5.097 -6.139 -4.241 1.00 0.00 N ATOM 328 CA GLY A 209 -4.271 -7.295 -4.535 1.00 0.00 C ATOM 329 C GLY A 209 -2.789 -6.988 -4.446 1.00 0.00 C ATOM 330 O GLY A 209 -2.024 -7.752 -3.858 1.00 0.00 O ATOM 0 H GLY A 209 -5.844 -5.963 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -4.515 -8.098 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -4.504 -7.659 -5.536 1.00 0.00 H new ATOM 334 N SER A 210 -2.383 -5.866 -5.031 1.00 0.00 N ATOM 335 CA SER A 210 -0.982 -5.462 -5.020 1.00 0.00 C ATOM 336 C SER A 210 -0.423 -5.480 -3.600 1.00 0.00 C ATOM 337 O SER A 210 0.720 -5.882 -3.376 1.00 0.00 O ATOM 338 CB SER A 210 -0.827 -4.064 -5.623 1.00 0.00 C ATOM 339 OG SER A 210 -1.745 -3.862 -6.683 1.00 0.00 O ATOM 0 H SER A 210 -3.004 -5.220 -5.519 1.00 0.00 H new ATOM 0 HA SER A 210 -0.419 -6.174 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 210 -0.987 -3.312 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 210 0.191 -3.933 -5.989 1.00 0.00 H new ATOM 0 HG SER A 210 -1.627 -2.961 -7.050 1.00 0.00 H new ATOM 345 N LEU A 211 -1.236 -5.043 -2.645 1.00 0.00 N ATOM 346 CA LEU A 211 -0.824 -5.009 -1.246 1.00 0.00 C ATOM 347 C LEU A 211 -0.729 -6.419 -0.672 1.00 0.00 C ATOM 348 O LEU A 211 0.110 -6.695 0.186 1.00 0.00 O ATOM 349 CB LEU A 211 -1.810 -4.177 -0.424 1.00 0.00 C ATOM 350 CG LEU A 211 -1.740 -4.358 1.092 1.00 0.00 C ATOM 351 CD1 LEU A 211 -0.320 -4.138 1.591 1.00 0.00 C ATOM 352 CD2 LEU A 211 -2.704 -3.408 1.788 1.00 0.00 C ATOM 0 H LEU A 211 -2.184 -4.707 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 211 0.162 -4.548 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.644 -3.124 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -2.821 -4.419 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 211 -2.033 -5.381 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.290 -4.271 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.348 -4.858 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 211 0.001 -3.127 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -2.641 -3.551 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -2.442 -2.379 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -3.721 -3.613 1.454 1.00 0.00 H new ATOM 364 N ILE A 212 -1.592 -7.307 -1.153 1.00 0.00 N ATOM 365 CA ILE A 212 -1.603 -8.689 -0.689 1.00 0.00 C ATOM 366 C ILE A 212 -0.264 -9.369 -0.956 1.00 0.00 C ATOM 367 O ILE A 212 0.170 -10.230 -0.191 1.00 0.00 O ATOM 368 CB ILE A 212 -2.722 -9.502 -1.367 1.00 0.00 C ATOM 369 CG1 ILE A 212 -4.053 -8.752 -1.277 1.00 0.00 C ATOM 370 CG2 ILE A 212 -2.839 -10.878 -0.729 1.00 0.00 C ATOM 371 CD1 ILE A 212 -5.229 -9.542 -1.808 1.00 0.00 C ATOM 0 H ILE A 212 -2.292 -7.095 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 212 -1.786 -8.660 0.385 1.00 0.00 H new ATOM 0 HB ILE A 212 -2.470 -9.632 -2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -4.243 -8.489 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -3.973 -7.818 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -3.634 -11.440 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -1.895 -11.412 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.072 -10.769 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -6.139 -8.949 -1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 212 -5.061 -9.783 -2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -5.336 -10.464 -1.237 1.00 0.00 H new ATOM 383 N VAL A 213 0.387 -8.974 -2.045 1.00 0.00 N ATOM 384 CA VAL A 213 1.679 -9.543 -2.412 1.00 0.00 C ATOM 385 C VAL A 213 2.803 -8.932 -1.583 1.00 0.00 C ATOM 386 O VAL A 213 3.935 -9.416 -1.600 1.00 0.00 O ATOM 387 CB VAL A 213 1.983 -9.328 -3.907 1.00 0.00 C ATOM 388 CG1 VAL A 213 3.226 -10.103 -4.316 1.00 0.00 C ATOM 389 CG2 VAL A 213 0.788 -9.732 -4.756 1.00 0.00 C ATOM 0 H VAL A 213 0.041 -8.262 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 213 1.623 -10.613 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 213 2.175 -8.268 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 213 3.425 -9.939 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 213 4.078 -9.760 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 213 3.067 -11.166 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 213 1.020 -9.574 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 213 0.562 -10.785 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -0.076 -9.127 -4.480 1.00 0.00 H new ATOM 399 N HIS A 214 2.483 -7.866 -0.856 1.00 0.00 N ATOM 400 CA HIS A 214 3.467 -7.189 -0.018 1.00 0.00 C ATOM 401 C HIS A 214 3.416 -7.715 1.413 1.00 0.00 C ATOM 402 O HIS A 214 4.435 -7.766 2.102 1.00 0.00 O ATOM 403 CB HIS A 214 3.223 -5.679 -0.028 1.00 0.00 C ATOM 404 CG HIS A 214 3.719 -4.985 1.203 1.00 0.00 C ATOM 405 ND1 HIS A 214 5.031 -4.599 1.372 1.00 0.00 N ATOM 406 CD2 HIS A 214 3.069 -4.606 2.329 1.00 0.00 C ATOM 407 CE1 HIS A 214 5.168 -4.014 2.549 1.00 0.00 C ATOM 408 NE2 HIS A 214 3.991 -4.005 3.149 1.00 0.00 N ATOM 0 H HIS A 214 1.551 -7.453 -0.830 1.00 0.00 H new ATOM 0 HA HIS A 214 4.457 -7.393 -0.426 1.00 0.00 H new ATOM 0 HB2 HIS A 214 3.711 -5.246 -0.901 1.00 0.00 H new ATOM 0 HB3 HIS A 214 2.154 -5.492 -0.135 1.00 0.00 H new ATOM 0 HD1 HIS A 214 5.780 -4.742 0.694 1.00 0.00 H new ATOM 0 HD2 HIS A 214 2.020 -4.750 2.542 1.00 0.00 H new ATOM 0 HE1 HIS A 214 6.086 -3.612 2.952 1.00 0.00 H new ATOM 416 N ILE A 215 2.224 -8.105 1.853 1.00 0.00 N ATOM 417 CA ILE A 215 2.042 -8.628 3.201 1.00 0.00 C ATOM 418 C ILE A 215 2.952 -9.824 3.455 1.00 0.00 C ATOM 419 O ILE A 215 3.251 -10.158 4.602 1.00 0.00 O ATOM 420 CB ILE A 215 0.581 -9.048 3.449 1.00 0.00 C ATOM 421 CG1 ILE A 215 -0.356 -7.854 3.251 1.00 0.00 C ATOM 422 CG2 ILE A 215 0.425 -9.624 4.849 1.00 0.00 C ATOM 423 CD1 ILE A 215 -1.801 -8.249 3.035 1.00 0.00 C ATOM 0 H ILE A 215 1.371 -8.069 1.296 1.00 0.00 H new ATOM 0 HA ILE A 215 2.303 -7.824 3.889 1.00 0.00 H new ATOM 0 HB ILE A 215 0.313 -9.820 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.292 -7.204 4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 215 -0.015 -7.273 2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -0.613 -9.916 5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 215 1.068 -10.497 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 215 0.708 -8.872 5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -2.407 -7.353 2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -1.878 -8.875 2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -2.160 -8.804 3.902 1.00 0.00 H new ATOM 435 N ARG A 216 3.392 -10.465 2.377 1.00 0.00 N ATOM 436 CA ARG A 216 4.270 -11.625 2.483 1.00 0.00 C ATOM 437 C ARG A 216 5.521 -11.288 3.290 1.00 0.00 C ATOM 438 O ARG A 216 6.139 -12.166 3.892 1.00 0.00 O ATOM 439 CB ARG A 216 4.667 -12.119 1.090 1.00 0.00 C ATOM 440 CG ARG A 216 3.480 -12.413 0.187 1.00 0.00 C ATOM 441 CD ARG A 216 3.927 -12.764 -1.223 1.00 0.00 C ATOM 442 NE ARG A 216 3.298 -13.990 -1.708 1.00 0.00 N ATOM 443 CZ ARG A 216 3.303 -14.364 -2.982 1.00 0.00 C ATOM 444 NH1 ARG A 216 3.900 -13.611 -3.895 1.00 0.00 N ATOM 445 NH2 ARG A 216 2.709 -15.494 -3.345 1.00 0.00 N ATOM 0 H ARG A 216 3.155 -10.201 1.421 1.00 0.00 H new ATOM 0 HA ARG A 216 3.726 -12.415 3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 216 5.298 -11.369 0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 216 5.268 -13.023 1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 216 2.901 -13.238 0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 216 2.821 -11.545 0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 216 3.684 -11.941 -1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 216 5.011 -12.881 -1.241 1.00 0.00 H new ATOM 0 HE ARG A 216 2.829 -14.592 -1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 216 4.357 -12.742 -3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 216 3.902 -13.901 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 216 2.248 -16.076 -2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 216 2.713 -15.781 -4.324 1.00 0.00 H new ATOM 459 N VAL A 217 5.887 -10.010 3.298 1.00 0.00 N ATOM 460 CA VAL A 217 7.063 -9.557 4.032 1.00 0.00 C ATOM 461 C VAL A 217 6.741 -9.339 5.506 1.00 0.00 C ATOM 462 O VAL A 217 7.624 -9.406 6.362 1.00 0.00 O ATOM 463 CB VAL A 217 7.623 -8.249 3.441 1.00 0.00 C ATOM 464 CG1 VAL A 217 7.830 -8.386 1.940 1.00 0.00 C ATOM 465 CG2 VAL A 217 6.698 -7.084 3.756 1.00 0.00 C ATOM 0 H VAL A 217 5.387 -9.271 2.805 1.00 0.00 H new ATOM 0 HA VAL A 217 7.815 -10.340 3.940 1.00 0.00 H new ATOM 0 HB VAL A 217 8.591 -8.049 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 217 8.226 -7.452 1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 217 8.535 -9.193 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 217 6.877 -8.611 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 217 7.109 -6.168 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 217 5.714 -7.274 3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 217 6.607 -6.974 4.837 1.00 0.00 H new ATOM 475 N HIS A 218 5.470 -9.079 5.796 1.00 0.00 N ATOM 476 CA HIS A 218 5.030 -8.853 7.168 1.00 0.00 C ATOM 477 C HIS A 218 4.420 -10.120 7.759 1.00 0.00 C ATOM 478 O HIS A 218 5.039 -10.795 8.582 1.00 0.00 O ATOM 479 CB HIS A 218 4.013 -7.712 7.218 1.00 0.00 C ATOM 480 CG HIS A 218 4.582 -6.384 6.823 1.00 0.00 C ATOM 481 ND1 HIS A 218 5.635 -5.790 7.487 1.00 0.00 N ATOM 482 CD2 HIS A 218 4.241 -5.536 5.825 1.00 0.00 C ATOM 483 CE1 HIS A 218 5.915 -4.632 6.915 1.00 0.00 C ATOM 484 NE2 HIS A 218 5.084 -4.455 5.903 1.00 0.00 N ATOM 0 H HIS A 218 4.727 -9.020 5.100 1.00 0.00 H new ATOM 0 HA HIS A 218 5.902 -8.579 7.763 1.00 0.00 H new ATOM 0 HB2 HIS A 218 3.179 -7.951 6.559 1.00 0.00 H new ATOM 0 HB3 HIS A 218 3.610 -7.639 8.228 1.00 0.00 H new ATOM 0 HD1 HIS A 218 6.121 -6.183 8.293 1.00 0.00 H new ATOM 0 HD2 HIS A 218 3.452 -5.682 5.102 1.00 0.00 H new ATOM 0 HE1 HIS A 218 6.691 -3.947 7.222 1.00 0.00 H new ATOM 492 N THR A 219 3.201 -10.439 7.334 1.00 0.00 N ATOM 493 CA THR A 219 2.507 -11.623 7.823 1.00 0.00 C ATOM 494 C THR A 219 2.512 -12.733 6.778 1.00 0.00 C ATOM 495 O THR A 219 2.549 -12.469 5.577 1.00 0.00 O ATOM 496 CB THR A 219 1.050 -11.302 8.206 1.00 0.00 C ATOM 497 OG1 THR A 219 0.913 -9.904 8.481 1.00 0.00 O ATOM 498 CG2 THR A 219 0.620 -12.108 9.423 1.00 0.00 C ATOM 0 H THR A 219 2.674 -9.893 6.652 1.00 0.00 H new ATOM 0 HA THR A 219 3.043 -11.960 8.711 1.00 0.00 H new ATOM 0 HB THR A 219 0.409 -11.571 7.367 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.016 -9.708 8.722 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.412 -11.864 9.675 1.00 0.00 H new ATOM 0 HG22 THR A 219 0.698 -13.172 9.201 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.266 -11.865 10.267 1.00 0.00 H new ATOM 506 N GLY A 220 2.475 -13.978 7.244 1.00 0.00 N ATOM 507 CA GLY A 220 2.476 -15.110 6.336 1.00 0.00 C ATOM 508 C GLY A 220 1.413 -14.992 5.261 1.00 0.00 C ATOM 509 O GLY A 220 0.231 -15.221 5.519 1.00 0.00 O ATOM 0 H GLY A 220 2.444 -14.223 8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 220 3.456 -15.194 5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.315 -16.027 6.903 1.00 0.00 H new ATOM 513 N SER A 221 1.834 -14.633 4.052 1.00 0.00 N ATOM 514 CA SER A 221 0.909 -14.480 2.935 1.00 0.00 C ATOM 515 C SER A 221 1.312 -15.377 1.769 1.00 0.00 C ATOM 516 O SER A 221 1.370 -14.935 0.622 1.00 0.00 O ATOM 517 CB SER A 221 0.864 -13.020 2.479 1.00 0.00 C ATOM 518 OG SER A 221 -0.002 -12.858 1.370 1.00 0.00 O ATOM 0 H SER A 221 2.809 -14.443 3.821 1.00 0.00 H new ATOM 0 HA SER A 221 -0.083 -14.778 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 221 0.528 -12.389 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 221 1.867 -12.688 2.212 1.00 0.00 H new ATOM 0 HG SER A 221 0.298 -13.432 0.634 1.00 0.00 H new ATOM 524 N GLY A 222 1.590 -16.641 2.072 1.00 0.00 N ATOM 525 CA GLY A 222 1.984 -17.582 1.039 1.00 0.00 C ATOM 526 C GLY A 222 0.807 -18.353 0.477 1.00 0.00 C ATOM 527 O GLY A 222 -0.354 -18.015 0.712 1.00 0.00 O ATOM 0 H GLY A 222 1.550 -17.030 3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 222 2.480 -17.044 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 222 2.711 -18.283 1.449 1.00 0.00 H new ATOM 531 N PRO A 223 1.101 -19.416 -0.287 1.00 0.00 N ATOM 532 CA PRO A 223 0.070 -20.258 -0.901 1.00 0.00 C ATOM 533 C PRO A 223 -0.691 -21.086 0.128 1.00 0.00 C ATOM 534 O PRO A 223 -1.890 -21.327 -0.018 1.00 0.00 O ATOM 535 CB PRO A 223 0.869 -21.170 -1.836 1.00 0.00 C ATOM 536 CG PRO A 223 2.233 -21.223 -1.240 1.00 0.00 C ATOM 537 CD PRO A 223 2.461 -19.877 -0.610 1.00 0.00 C ATOM 0 HA PRO A 223 -0.692 -19.666 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 223 0.424 -22.163 -1.895 1.00 0.00 H new ATOM 0 HB3 PRO A 223 0.895 -20.772 -2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 223 2.304 -22.018 -0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 223 2.984 -21.430 -2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 223 3.082 -19.951 0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 223 2.965 -19.194 -1.294 1.00 0.00 H new ATOM 545 N SER A 224 0.012 -21.519 1.170 1.00 0.00 N ATOM 546 CA SER A 224 -0.598 -22.323 2.223 1.00 0.00 C ATOM 547 C SER A 224 0.193 -22.206 3.522 1.00 0.00 C ATOM 548 O SER A 224 -0.368 -21.916 4.579 1.00 0.00 O ATOM 549 CB SER A 224 -0.680 -23.788 1.792 1.00 0.00 C ATOM 550 OG SER A 224 -1.606 -23.958 0.733 1.00 0.00 O ATOM 0 H SER A 224 1.004 -21.327 1.308 1.00 0.00 H new ATOM 0 HA SER A 224 -1.606 -21.946 2.397 1.00 0.00 H new ATOM 0 HB2 SER A 224 0.305 -24.133 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 224 -0.977 -24.404 2.641 1.00 0.00 H new ATOM 0 HG SER A 224 -1.931 -23.082 0.439 1.00 0.00 H new ATOM 556 N SER A 225 1.499 -22.434 3.435 1.00 0.00 N ATOM 557 CA SER A 225 2.368 -22.359 4.604 1.00 0.00 C ATOM 558 C SER A 225 2.382 -20.947 5.180 1.00 0.00 C ATOM 559 O SER A 225 2.944 -20.027 4.587 1.00 0.00 O ATOM 560 CB SER A 225 3.791 -22.787 4.237 1.00 0.00 C ATOM 561 OG SER A 225 4.008 -22.689 2.840 1.00 0.00 O ATOM 0 H SER A 225 1.979 -22.672 2.567 1.00 0.00 H new ATOM 0 HA SER A 225 1.976 -23.038 5.361 1.00 0.00 H new ATOM 0 HB2 SER A 225 4.510 -22.161 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 225 3.961 -23.813 4.564 1.00 0.00 H new ATOM 0 HG SER A 225 4.924 -22.966 2.631 1.00 0.00 H new ATOM 567 N GLY A 226 1.758 -20.783 6.343 1.00 0.00 N ATOM 568 CA GLY A 226 1.710 -19.480 6.982 1.00 0.00 C ATOM 569 C GLY A 226 2.535 -19.426 8.252 1.00 0.00 C ATOM 570 O GLY A 226 2.219 -20.141 9.202 1.00 0.00 O ATOM 0 H GLY A 226 1.285 -21.529 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 226 2.071 -18.724 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 226 0.675 -19.231 7.214 1.00 0.00 H new TER 574 GLY A 226 HETATM 575 ZN ZN A 301 4.043 -3.167 4.851 1.00 0.00 ZN