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 Set 1.1: A 194 LYS NZ :NH3+ -175:sc= 0.455 (180deg=0) USER MOD Set 1.2: A 206 SER OG : rot 180:sc= 0.418 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 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.68) USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 207 GLN : amide:sc= 0 X(o=0,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= -0.584 USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot -47:sc= 1.16 USER MOD Single : A 224 SER OG : rot 180:sc= 0.12 USER MOD Single : A 225 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 185 19.480 7.044 -11.270 1.00 0.00 N ATOM 2 CA GLY A 185 18.977 5.683 -11.268 1.00 0.00 C ATOM 3 C GLY A 185 17.493 5.613 -11.567 1.00 0.00 C ATOM 4 O GLY A 185 17.052 5.998 -12.650 1.00 0.00 O ATOM 0 HA2 GLY A 185 19.522 5.097 -12.008 1.00 0.00 H new ATOM 0 HA3 GLY A 185 19.171 5.229 -10.296 1.00 0.00 H new ATOM 8 N SER A 186 16.720 5.119 -10.605 1.00 0.00 N ATOM 9 CA SER A 186 15.277 4.994 -10.772 1.00 0.00 C ATOM 10 C SER A 186 14.543 6.066 -9.973 1.00 0.00 C ATOM 11 O SER A 186 14.743 6.201 -8.766 1.00 0.00 O ATOM 12 CB SER A 186 14.809 3.605 -10.334 1.00 0.00 C ATOM 13 OG SER A 186 13.564 3.276 -10.925 1.00 0.00 O ATOM 0 H SER A 186 17.069 4.799 -9.702 1.00 0.00 H new ATOM 0 HA SER A 186 15.046 5.130 -11.828 1.00 0.00 H new ATOM 0 HB2 SER A 186 15.555 2.862 -10.614 1.00 0.00 H new ATOM 0 HB3 SER A 186 14.719 3.574 -9.248 1.00 0.00 H new ATOM 0 HG SER A 186 13.288 2.383 -10.630 1.00 0.00 H new ATOM 19 N SER A 187 13.692 6.826 -10.655 1.00 0.00 N ATOM 20 CA SER A 187 12.930 7.889 -10.010 1.00 0.00 C ATOM 21 C SER A 187 11.637 7.343 -9.410 1.00 0.00 C ATOM 22 O SER A 187 11.369 6.144 -9.470 1.00 0.00 O ATOM 23 CB SER A 187 12.610 8.997 -11.015 1.00 0.00 C ATOM 24 OG SER A 187 11.605 8.587 -11.925 1.00 0.00 O ATOM 0 H SER A 187 13.513 6.725 -11.654 1.00 0.00 H new ATOM 0 HA SER A 187 13.538 8.302 -9.205 1.00 0.00 H new ATOM 0 HB2 SER A 187 12.281 9.890 -10.484 1.00 0.00 H new ATOM 0 HB3 SER A 187 13.513 9.267 -11.563 1.00 0.00 H new ATOM 0 HG SER A 187 11.418 9.314 -12.555 1.00 0.00 H new ATOM 30 N GLY A 188 10.840 8.235 -8.829 1.00 0.00 N ATOM 31 CA GLY A 188 9.585 7.825 -8.225 1.00 0.00 C ATOM 32 C GLY A 188 8.733 9.005 -7.802 1.00 0.00 C ATOM 33 O GLY A 188 8.773 9.425 -6.645 1.00 0.00 O ATOM 0 H GLY A 188 11.041 9.233 -8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 188 9.027 7.213 -8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 188 9.791 7.199 -7.357 1.00 0.00 H new ATOM 37 N SER A 189 7.961 9.543 -8.741 1.00 0.00 N ATOM 38 CA SER A 189 7.099 10.686 -8.460 1.00 0.00 C ATOM 39 C SER A 189 5.911 10.271 -7.598 1.00 0.00 C ATOM 40 O SER A 189 5.615 9.084 -7.459 1.00 0.00 O ATOM 41 CB SER A 189 6.604 11.310 -9.766 1.00 0.00 C ATOM 42 OG SER A 189 7.035 12.655 -9.884 1.00 0.00 O ATOM 0 H SER A 189 7.915 9.206 -9.703 1.00 0.00 H new ATOM 0 HA SER A 189 7.683 11.425 -7.911 1.00 0.00 H new ATOM 0 HB2 SER A 189 6.973 10.731 -10.612 1.00 0.00 H new ATOM 0 HB3 SER A 189 5.515 11.269 -9.803 1.00 0.00 H new ATOM 0 HG SER A 189 6.707 13.031 -10.728 1.00 0.00 H new ATOM 48 N SER A 190 5.233 11.258 -7.022 1.00 0.00 N ATOM 49 CA SER A 190 4.079 10.998 -6.170 1.00 0.00 C ATOM 50 C SER A 190 2.779 11.148 -6.955 1.00 0.00 C ATOM 51 O SER A 190 2.745 11.791 -8.003 1.00 0.00 O ATOM 52 CB SER A 190 4.077 11.949 -4.972 1.00 0.00 C ATOM 53 OG SER A 190 5.182 11.697 -4.120 1.00 0.00 O ATOM 0 H SER A 190 5.463 12.246 -7.130 1.00 0.00 H new ATOM 0 HA SER A 190 4.149 9.972 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 190 4.111 12.981 -5.322 1.00 0.00 H new ATOM 0 HB3 SER A 190 3.149 11.833 -4.413 1.00 0.00 H new ATOM 0 HG SER A 190 5.160 12.319 -3.363 1.00 0.00 H new ATOM 59 N GLY A 191 1.710 10.550 -6.438 1.00 0.00 N ATOM 60 CA GLY A 191 0.422 10.629 -7.102 1.00 0.00 C ATOM 61 C GLY A 191 -0.697 11.014 -6.154 1.00 0.00 C ATOM 62 O GLY A 191 -0.619 12.035 -5.473 1.00 0.00 O ATOM 0 H GLY A 191 1.713 10.012 -5.571 1.00 0.00 H new ATOM 0 HA2 GLY A 191 0.477 11.359 -7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 191 0.192 9.666 -7.558 1.00 0.00 H new ATOM 66 N GLY A 192 -1.743 10.194 -6.112 1.00 0.00 N ATOM 67 CA GLY A 192 -2.868 10.472 -5.239 1.00 0.00 C ATOM 68 C GLY A 192 -2.926 9.533 -4.050 1.00 0.00 C ATOM 69 O GLY A 192 -2.338 8.453 -4.076 1.00 0.00 O ATOM 0 H GLY A 192 -1.831 9.343 -6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -2.802 11.500 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -3.794 10.390 -5.808 1.00 0.00 H new ATOM 73 N GLU A 193 -3.636 9.947 -3.005 1.00 0.00 N ATOM 74 CA GLU A 193 -3.766 9.135 -1.801 1.00 0.00 C ATOM 75 C GLU A 193 -4.713 7.961 -2.035 1.00 0.00 C ATOM 76 O GLU A 193 -5.886 8.150 -2.359 1.00 0.00 O ATOM 77 CB GLU A 193 -4.271 9.988 -0.636 1.00 0.00 C ATOM 78 CG GLU A 193 -3.367 11.162 -0.304 1.00 0.00 C ATOM 79 CD GLU A 193 -4.123 12.473 -0.209 1.00 0.00 C ATOM 80 OE1 GLU A 193 -5.081 12.550 0.589 1.00 0.00 O ATOM 81 OE2 GLU A 193 -3.757 13.422 -0.933 1.00 0.00 O ATOM 0 H GLU A 193 -4.129 10.839 -2.968 1.00 0.00 H new ATOM 0 HA GLU A 193 -2.781 8.740 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -5.266 10.363 -0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -4.373 9.358 0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -2.861 10.970 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -2.594 11.247 -1.068 1.00 0.00 H new ATOM 88 N LYS A 194 -4.195 6.749 -1.870 1.00 0.00 N ATOM 89 CA LYS A 194 -4.993 5.543 -2.063 1.00 0.00 C ATOM 90 C LYS A 194 -5.469 4.987 -0.725 1.00 0.00 C ATOM 91 O LYS A 194 -4.846 5.192 0.318 1.00 0.00 O ATOM 92 CB LYS A 194 -4.179 4.482 -2.807 1.00 0.00 C ATOM 93 CG LYS A 194 -3.397 5.033 -3.987 1.00 0.00 C ATOM 94 CD LYS A 194 -4.303 5.761 -4.966 1.00 0.00 C ATOM 95 CE LYS A 194 -5.362 4.833 -5.541 1.00 0.00 C ATOM 96 NZ LYS A 194 -5.287 4.760 -7.027 1.00 0.00 N ATOM 0 H LYS A 194 -3.226 6.575 -1.603 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.867 5.806 -2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -3.485 4.013 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.852 3.701 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -2.626 5.715 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -2.887 4.217 -4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -4.786 6.598 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -3.705 6.178 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -5.237 3.835 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -6.351 5.182 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -6.076 4.186 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -5.347 5.719 -7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -4.386 4.324 -7.308 1.00 0.00 H new ATOM 110 N PRO A 195 -6.599 4.264 -0.752 1.00 0.00 N ATOM 111 CA PRO A 195 -7.182 3.662 0.451 1.00 0.00 C ATOM 112 C PRO A 195 -6.342 2.509 0.988 1.00 0.00 C ATOM 113 O PRO A 195 -6.516 2.080 2.129 1.00 0.00 O ATOM 114 CB PRO A 195 -8.543 3.153 -0.032 1.00 0.00 C ATOM 115 CG PRO A 195 -8.367 2.931 -1.495 1.00 0.00 C ATOM 116 CD PRO A 195 -7.393 3.979 -1.958 1.00 0.00 C ATOM 0 HA PRO A 195 -7.245 4.374 1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -8.824 2.231 0.477 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -9.331 3.880 0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -7.987 1.929 -1.695 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -9.317 3.022 -2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -6.768 3.615 -2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -7.905 4.870 -2.322 1.00 0.00 H new ATOM 124 N TYR A 196 -5.430 2.012 0.159 1.00 0.00 N ATOM 125 CA TYR A 196 -4.564 0.906 0.551 1.00 0.00 C ATOM 126 C TYR A 196 -3.215 1.420 1.045 1.00 0.00 C ATOM 127 O TYR A 196 -2.333 1.747 0.250 1.00 0.00 O ATOM 128 CB TYR A 196 -4.358 -0.050 -0.626 1.00 0.00 C ATOM 129 CG TYR A 196 -5.625 -0.340 -1.399 1.00 0.00 C ATOM 130 CD1 TYR A 196 -6.518 -1.312 -0.966 1.00 0.00 C ATOM 131 CD2 TYR A 196 -5.928 0.357 -2.562 1.00 0.00 C ATOM 132 CE1 TYR A 196 -7.676 -1.582 -1.669 1.00 0.00 C ATOM 133 CE2 TYR A 196 -7.085 0.095 -3.270 1.00 0.00 C ATOM 134 CZ TYR A 196 -7.956 -0.875 -2.820 1.00 0.00 C ATOM 135 OH TYR A 196 -9.108 -1.140 -3.524 1.00 0.00 O ATOM 0 H TYR A 196 -5.272 2.357 -0.788 1.00 0.00 H new ATOM 0 HA TYR A 196 -5.049 0.369 1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -3.618 0.376 -1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -3.947 -0.988 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -6.303 -1.866 -0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.248 1.116 -2.919 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.359 -2.343 -1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -7.306 0.647 -4.171 1.00 0.00 H new ATOM 0 HH TYR A 196 -9.154 -0.554 -4.308 1.00 0.00 H new ATOM 145 N ARG A 197 -3.062 1.487 2.363 1.00 0.00 N ATOM 146 CA ARG A 197 -1.821 1.961 2.965 1.00 0.00 C ATOM 147 C ARG A 197 -1.390 1.050 4.111 1.00 0.00 C ATOM 148 O ARG A 197 -2.040 0.999 5.155 1.00 0.00 O ATOM 149 CB ARG A 197 -1.992 3.394 3.475 1.00 0.00 C ATOM 150 CG ARG A 197 -0.769 3.932 4.200 1.00 0.00 C ATOM 151 CD ARG A 197 -0.165 5.119 3.468 1.00 0.00 C ATOM 152 NE ARG A 197 -0.777 6.382 3.872 1.00 0.00 N ATOM 153 CZ ARG A 197 -0.506 7.548 3.297 1.00 0.00 C ATOM 154 NH1 ARG A 197 0.362 7.611 2.297 1.00 0.00 N ATOM 155 NH2 ARG A 197 -1.104 8.653 3.722 1.00 0.00 N ATOM 0 H ARG A 197 -3.781 1.219 3.035 1.00 0.00 H new ATOM 0 HA ARG A 197 -1.045 1.945 2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -2.220 4.046 2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -2.849 3.431 4.148 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -1.046 4.229 5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -0.023 3.143 4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 197 0.907 5.157 3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -0.289 4.984 2.394 1.00 0.00 H new ATOM 0 HE ARG A 197 -1.450 6.368 4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 197 0.823 6.763 1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 197 0.569 8.508 1.857 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -1.773 8.608 4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -0.895 9.548 3.280 1.00 0.00 H new ATOM 169 N CYS A 198 -0.290 0.333 3.907 1.00 0.00 N ATOM 170 CA CYS A 198 0.228 -0.577 4.921 1.00 0.00 C ATOM 171 C CYS A 198 0.738 0.194 6.135 1.00 0.00 C ATOM 172 O CYS A 198 1.496 1.155 5.999 1.00 0.00 O ATOM 173 CB CYS A 198 1.354 -1.435 4.339 1.00 0.00 C ATOM 174 SG CYS A 198 1.761 -2.904 5.336 1.00 0.00 S ATOM 0 H CYS A 198 0.260 0.365 3.048 1.00 0.00 H new ATOM 0 HA CYS A 198 -0.587 -1.226 5.241 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.070 -1.757 3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.248 -0.820 4.235 1.00 0.00 H new ATOM 179 N ASP A 199 0.316 -0.233 7.320 1.00 0.00 N ATOM 180 CA ASP A 199 0.730 0.416 8.558 1.00 0.00 C ATOM 181 C ASP A 199 1.973 -0.257 9.135 1.00 0.00 C ATOM 182 O ASP A 199 2.612 0.275 10.042 1.00 0.00 O ATOM 183 CB ASP A 199 -0.405 0.380 9.582 1.00 0.00 C ATOM 184 CG ASP A 199 -0.407 1.597 10.487 1.00 0.00 C ATOM 185 OD1 ASP A 199 0.006 2.681 10.025 1.00 0.00 O ATOM 186 OD2 ASP A 199 -0.822 1.465 11.657 1.00 0.00 O ATOM 0 H ASP A 199 -0.313 -1.026 7.449 1.00 0.00 H new ATOM 0 HA ASP A 199 0.972 1.454 8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 199 -1.360 0.318 9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 199 -0.314 -0.521 10.189 1.00 0.00 H new ATOM 191 N GLN A 200 2.306 -1.428 8.603 1.00 0.00 N ATOM 192 CA GLN A 200 3.471 -2.173 9.067 1.00 0.00 C ATOM 193 C GLN A 200 4.762 -1.509 8.601 1.00 0.00 C ATOM 194 O GLN A 200 5.759 -1.490 9.324 1.00 0.00 O ATOM 195 CB GLN A 200 3.414 -3.616 8.562 1.00 0.00 C ATOM 196 CG GLN A 200 2.191 -4.381 9.042 1.00 0.00 C ATOM 197 CD GLN A 200 2.047 -4.362 10.551 1.00 0.00 C ATOM 198 OE1 GLN A 200 1.561 -3.388 11.128 1.00 0.00 O ATOM 199 NE2 GLN A 200 2.469 -5.440 11.201 1.00 0.00 N ATOM 0 H GLN A 200 1.787 -1.881 7.851 1.00 0.00 H new ATOM 0 HA GLN A 200 3.459 -2.176 10.157 1.00 0.00 H new ATOM 0 HB2 GLN A 200 3.425 -3.611 7.472 1.00 0.00 H new ATOM 0 HB3 GLN A 200 4.312 -4.142 8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 200 1.297 -3.951 8.590 1.00 0.00 H new ATOM 0 HG3 GLN A 200 2.256 -5.414 8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 200 2.865 -6.225 10.684 1.00 0.00 H new ATOM 0 HE22 GLN A 200 2.397 -5.483 12.218 1.00 0.00 H new ATOM 208 N CYS A 201 4.739 -0.966 7.388 1.00 0.00 N ATOM 209 CA CYS A 201 5.908 -0.302 6.824 1.00 0.00 C ATOM 210 C CYS A 201 5.603 1.159 6.508 1.00 0.00 C ATOM 211 O CYS A 201 6.476 2.021 6.603 1.00 0.00 O ATOM 212 CB CYS A 201 6.368 -1.024 5.556 1.00 0.00 C ATOM 213 SG CYS A 201 5.109 -1.095 4.242 1.00 0.00 S ATOM 0 H CYS A 201 3.923 -0.973 6.777 1.00 0.00 H new ATOM 0 HA CYS A 201 6.707 -0.337 7.564 1.00 0.00 H new ATOM 0 HB2 CYS A 201 7.255 -0.524 5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.663 -2.040 5.816 1.00 0.00 H new ATOM 218 N GLY A 202 4.357 1.431 6.133 1.00 0.00 N ATOM 219 CA GLY A 202 3.959 2.788 5.809 1.00 0.00 C ATOM 220 C GLY A 202 4.052 3.081 4.325 1.00 0.00 C ATOM 221 O GLY A 202 4.652 4.076 3.917 1.00 0.00 O ATOM 0 H GLY A 202 3.616 0.735 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.935 2.953 6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 202 4.591 3.489 6.355 1.00 0.00 H new ATOM 225 N LYS A 203 3.458 2.213 3.513 1.00 0.00 N ATOM 226 CA LYS A 203 3.477 2.382 2.065 1.00 0.00 C ATOM 227 C LYS A 203 2.073 2.648 1.530 1.00 0.00 C ATOM 228 O LYS A 203 1.110 2.710 2.293 1.00 0.00 O ATOM 229 CB LYS A 203 4.063 1.138 1.393 1.00 0.00 C ATOM 230 CG LYS A 203 5.504 1.309 0.947 1.00 0.00 C ATOM 231 CD LYS A 203 5.591 1.993 -0.407 1.00 0.00 C ATOM 232 CE LYS A 203 6.865 1.610 -1.144 1.00 0.00 C ATOM 233 NZ LYS A 203 7.003 2.343 -2.433 1.00 0.00 N ATOM 0 H LYS A 203 2.957 1.384 3.834 1.00 0.00 H new ATOM 0 HA LYS A 203 4.105 3.242 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 203 4.003 0.299 2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.452 0.881 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 203 6.048 1.895 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 203 5.988 0.334 0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 203 4.725 1.720 -1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 203 5.558 3.074 -0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 203 7.727 1.822 -0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 203 6.865 0.537 -1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 7.884 2.054 -2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 6.193 2.122 -3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 7.029 3.366 -2.249 1.00 0.00 H new ATOM 247 N ALA A 204 1.966 2.804 0.215 1.00 0.00 N ATOM 248 CA ALA A 204 0.680 3.060 -0.422 1.00 0.00 C ATOM 249 C ALA A 204 0.553 2.290 -1.732 1.00 0.00 C ATOM 250 O ALA A 204 1.491 2.242 -2.528 1.00 0.00 O ATOM 251 CB ALA A 204 0.498 4.551 -0.663 1.00 0.00 C ATOM 0 H ALA A 204 2.755 2.758 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.106 2.714 0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.466 4.728 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.535 5.081 0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 204 1.295 4.915 -1.312 1.00 0.00 H new ATOM 257 N PHE A 205 -0.612 1.689 -1.950 1.00 0.00 N ATOM 258 CA PHE A 205 -0.861 0.921 -3.164 1.00 0.00 C ATOM 259 C PHE A 205 -2.128 1.403 -3.863 1.00 0.00 C ATOM 260 O PHE A 205 -3.082 1.833 -3.215 1.00 0.00 O ATOM 261 CB PHE A 205 -0.983 -0.569 -2.833 1.00 0.00 C ATOM 262 CG PHE A 205 0.101 -1.072 -1.924 1.00 0.00 C ATOM 263 CD1 PHE A 205 -0.018 -0.950 -0.549 1.00 0.00 C ATOM 264 CD2 PHE A 205 1.240 -1.666 -2.444 1.00 0.00 C ATOM 265 CE1 PHE A 205 0.978 -1.412 0.291 1.00 0.00 C ATOM 266 CE2 PHE A 205 2.238 -2.131 -1.609 1.00 0.00 C ATOM 267 CZ PHE A 205 2.108 -2.003 -0.240 1.00 0.00 C ATOM 0 H PHE A 205 -1.399 1.719 -1.301 1.00 0.00 H new ATOM 0 HA PHE A 205 -0.017 1.070 -3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -1.951 -0.751 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -0.963 -1.142 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -0.899 -0.489 -0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 205 1.349 -1.767 -3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 205 0.873 -1.311 1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 205 3.119 -2.594 -2.027 1.00 0.00 H new ATOM 0 HZ PHE A 205 2.888 -2.364 0.414 1.00 0.00 H new ATOM 277 N SER A 206 -2.128 1.330 -5.190 1.00 0.00 N ATOM 278 CA SER A 206 -3.275 1.764 -5.980 1.00 0.00 C ATOM 279 C SER A 206 -4.385 0.717 -5.946 1.00 0.00 C ATOM 280 O SER A 206 -5.567 1.048 -6.032 1.00 0.00 O ATOM 281 CB SER A 206 -2.855 2.031 -7.426 1.00 0.00 C ATOM 282 OG SER A 206 -2.602 3.409 -7.637 1.00 0.00 O ATOM 0 H SER A 206 -1.347 0.974 -5.741 1.00 0.00 H new ATOM 0 HA SER A 206 -3.656 2.688 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 206 -1.961 1.454 -7.661 1.00 0.00 H new ATOM 0 HB3 SER A 206 -3.639 1.694 -8.104 1.00 0.00 H new ATOM 0 HG SER A 206 -2.334 3.553 -8.568 1.00 0.00 H new ATOM 288 N GLN A 207 -3.993 -0.547 -5.821 1.00 0.00 N ATOM 289 CA GLN A 207 -4.954 -1.643 -5.777 1.00 0.00 C ATOM 290 C GLN A 207 -4.796 -2.455 -4.495 1.00 0.00 C ATOM 291 O GLN A 207 -3.792 -2.335 -3.791 1.00 0.00 O ATOM 292 CB GLN A 207 -4.780 -2.552 -6.995 1.00 0.00 C ATOM 293 CG GLN A 207 -4.632 -1.793 -8.304 1.00 0.00 C ATOM 294 CD GLN A 207 -5.582 -2.288 -9.376 1.00 0.00 C ATOM 295 OE1 GLN A 207 -5.172 -2.960 -10.323 1.00 0.00 O ATOM 296 NE2 GLN A 207 -6.861 -1.958 -9.232 1.00 0.00 N ATOM 0 H GLN A 207 -3.018 -0.837 -5.748 1.00 0.00 H new ATOM 0 HA GLN A 207 -5.956 -1.214 -5.793 1.00 0.00 H new ATOM 0 HB2 GLN A 207 -3.901 -3.180 -6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 207 -5.639 -3.219 -7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 207 -4.811 -0.732 -8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 207 -3.606 -1.888 -8.661 1.00 0.00 H new ATOM 0 HE21 GLN A 207 -7.157 -1.399 -8.431 1.00 0.00 H new ATOM 0 HE22 GLN A 207 -7.547 -2.263 -9.922 1.00 0.00 H new ATOM 305 N LYS A 208 -5.793 -3.281 -4.197 1.00 0.00 N ATOM 306 CA LYS A 208 -5.765 -4.114 -3.000 1.00 0.00 C ATOM 307 C LYS A 208 -4.853 -5.320 -3.199 1.00 0.00 C ATOM 308 O LYS A 208 -3.955 -5.571 -2.396 1.00 0.00 O ATOM 309 CB LYS A 208 -7.178 -4.582 -2.647 1.00 0.00 C ATOM 310 CG LYS A 208 -7.406 -4.756 -1.155 1.00 0.00 C ATOM 311 CD LYS A 208 -7.030 -6.153 -0.693 1.00 0.00 C ATOM 312 CE LYS A 208 -6.468 -6.140 0.721 1.00 0.00 C ATOM 313 NZ LYS A 208 -6.846 -7.365 1.479 1.00 0.00 N ATOM 0 H LYS A 208 -6.631 -3.392 -4.768 1.00 0.00 H new ATOM 0 HA LYS A 208 -5.372 -3.515 -2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -7.898 -3.861 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -7.374 -5.529 -3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -6.817 -4.020 -0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.453 -4.564 -0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -7.908 -6.798 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -6.293 -6.577 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -5.382 -6.059 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -6.833 -5.259 1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -6.444 -7.318 2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -7.882 -7.429 1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -6.476 -8.204 0.989 1.00 0.00 H new ATOM 327 N GLY A 209 -5.089 -6.064 -4.275 1.00 0.00 N ATOM 328 CA GLY A 209 -4.279 -7.235 -4.560 1.00 0.00 C ATOM 329 C GLY A 209 -2.794 -6.951 -4.457 1.00 0.00 C ATOM 330 O GLY A 209 -2.046 -7.729 -3.865 1.00 0.00 O ATOM 0 H GLY A 209 -5.826 -5.877 -4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -4.542 -8.033 -3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -4.508 -7.596 -5.563 1.00 0.00 H new ATOM 334 N SER A 210 -2.364 -5.835 -5.036 1.00 0.00 N ATOM 335 CA SER A 210 -0.957 -5.453 -5.012 1.00 0.00 C ATOM 336 C SER A 210 -0.411 -5.484 -3.588 1.00 0.00 C ATOM 337 O SER A 210 0.723 -5.906 -3.354 1.00 0.00 O ATOM 338 CB SER A 210 -0.775 -4.057 -5.610 1.00 0.00 C ATOM 339 OG SER A 210 -1.706 -3.823 -6.652 1.00 0.00 O ATOM 0 H SER A 210 -2.970 -5.179 -5.528 1.00 0.00 H new ATOM 0 HA SER A 210 -0.400 -6.172 -5.612 1.00 0.00 H new ATOM 0 HB2 SER A 210 -0.900 -3.305 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 210 0.240 -3.952 -5.994 1.00 0.00 H new ATOM 0 HG SER A 210 -1.570 -2.923 -7.016 1.00 0.00 H new ATOM 345 N LEU A 211 -1.224 -5.034 -2.639 1.00 0.00 N ATOM 346 CA LEU A 211 -0.824 -5.009 -1.236 1.00 0.00 C ATOM 347 C LEU A 211 -0.759 -6.421 -0.664 1.00 0.00 C ATOM 348 O LEU A 211 0.070 -6.714 0.199 1.00 0.00 O ATOM 349 CB LEU A 211 -1.802 -4.160 -0.421 1.00 0.00 C ATOM 350 CG LEU A 211 -1.792 -4.391 1.090 1.00 0.00 C ATOM 351 CD1 LEU A 211 -0.432 -4.043 1.674 1.00 0.00 C ATOM 352 CD2 LEU A 211 -2.887 -3.575 1.761 1.00 0.00 C ATOM 0 H LEU A 211 -2.165 -4.681 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 211 0.170 -4.566 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.584 -3.109 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -2.810 -4.347 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 211 -1.986 -5.447 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.444 -4.214 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.332 -4.671 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -0.208 -2.995 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -2.865 -3.752 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -2.724 -2.515 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -3.858 -3.873 1.364 1.00 0.00 H new ATOM 364 N ILE A 212 -1.636 -7.292 -1.150 1.00 0.00 N ATOM 365 CA ILE A 212 -1.676 -8.674 -0.689 1.00 0.00 C ATOM 366 C ILE A 212 -0.346 -9.376 -0.942 1.00 0.00 C ATOM 367 O ILE A 212 0.063 -10.250 -0.176 1.00 0.00 O ATOM 368 CB ILE A 212 -2.801 -9.466 -1.380 1.00 0.00 C ATOM 369 CG1 ILE A 212 -4.120 -8.695 -1.302 1.00 0.00 C ATOM 370 CG2 ILE A 212 -2.948 -10.842 -0.745 1.00 0.00 C ATOM 371 CD1 ILE A 212 -5.304 -9.465 -1.843 1.00 0.00 C ATOM 0 H ILE A 212 -2.329 -7.065 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 212 -1.870 -8.644 0.383 1.00 0.00 H new ATOM 0 HB ILE A 212 -2.540 -9.597 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -4.315 -8.428 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -4.019 -7.762 -1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -3.747 -11.390 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -2.012 -11.392 -0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.190 -10.731 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -6.204 -8.857 -1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 212 -5.131 -9.709 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -5.431 -10.385 -1.273 1.00 0.00 H new ATOM 383 N VAL A 213 0.327 -8.987 -2.020 1.00 0.00 N ATOM 384 CA VAL A 213 1.612 -9.577 -2.373 1.00 0.00 C ATOM 385 C VAL A 213 2.742 -8.965 -1.553 1.00 0.00 C ATOM 386 O VAL A 213 3.869 -9.461 -1.560 1.00 0.00 O ATOM 387 CB VAL A 213 1.922 -9.393 -3.871 1.00 0.00 C ATOM 388 CG1 VAL A 213 3.156 -10.191 -4.263 1.00 0.00 C ATOM 389 CG2 VAL A 213 0.724 -9.798 -4.716 1.00 0.00 C ATOM 0 H VAL A 213 0.003 -8.265 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 213 1.542 -10.642 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 213 2.128 -8.339 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 213 3.359 -10.049 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 213 4.011 -9.848 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 213 2.983 -11.249 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 213 0.960 -9.662 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 213 0.485 -10.845 -4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -0.133 -9.178 -4.453 1.00 0.00 H new ATOM 399 N HIS A 214 2.433 -7.883 -0.845 1.00 0.00 N ATOM 400 CA HIS A 214 3.422 -7.202 -0.018 1.00 0.00 C ATOM 401 C HIS A 214 3.378 -7.719 1.417 1.00 0.00 C ATOM 402 O HIS A 214 4.400 -7.762 2.103 1.00 0.00 O ATOM 403 CB HIS A 214 3.181 -5.692 -0.036 1.00 0.00 C ATOM 404 CG HIS A 214 3.687 -4.990 1.187 1.00 0.00 C ATOM 405 ND1 HIS A 214 5.001 -4.600 1.341 1.00 0.00 N ATOM 406 CD2 HIS A 214 3.047 -4.606 2.316 1.00 0.00 C ATOM 407 CE1 HIS A 214 5.147 -4.009 2.513 1.00 0.00 C ATOM 408 NE2 HIS A 214 3.976 -3.999 3.124 1.00 0.00 N ATOM 0 H HIS A 214 1.505 -7.459 -0.828 1.00 0.00 H new ATOM 0 HA HIS A 214 4.409 -7.409 -0.431 1.00 0.00 H new ATOM 0 HB2 HIS A 214 3.664 -5.266 -0.915 1.00 0.00 H new ATOM 0 HB3 HIS A 214 2.112 -5.504 -0.137 1.00 0.00 H new ATOM 0 HD1 HIS A 214 5.744 -4.745 0.657 1.00 0.00 H new ATOM 0 HD2 HIS A 214 2.000 -4.750 2.540 1.00 0.00 H new ATOM 0 HE1 HIS A 214 6.068 -3.603 2.905 1.00 0.00 H new ATOM 416 N ILE A 215 2.189 -8.108 1.864 1.00 0.00 N ATOM 417 CA ILE A 215 2.013 -8.622 3.217 1.00 0.00 C ATOM 418 C ILE A 215 2.925 -9.817 3.474 1.00 0.00 C ATOM 419 O ILE A 215 3.230 -10.143 4.622 1.00 0.00 O ATOM 420 CB ILE A 215 0.553 -9.040 3.475 1.00 0.00 C ATOM 421 CG1 ILE A 215 -0.384 -7.846 3.279 1.00 0.00 C ATOM 422 CG2 ILE A 215 0.406 -9.611 4.878 1.00 0.00 C ATOM 423 CD1 ILE A 215 -1.831 -8.240 3.084 1.00 0.00 C ATOM 0 H ILE A 215 1.333 -8.077 1.310 1.00 0.00 H new ATOM 0 HA ILE A 215 2.277 -7.813 3.899 1.00 0.00 H new ATOM 0 HB ILE A 215 0.280 -9.814 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.308 -7.189 4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 215 -0.052 -7.272 2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -0.631 -9.902 5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 215 1.050 -10.484 4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 215 0.694 -8.856 5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -2.437 -7.344 2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -1.920 -8.873 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -2.180 -8.788 3.959 1.00 0.00 H new ATOM 435 N ARG A 216 3.358 -10.466 2.398 1.00 0.00 N ATOM 436 CA ARG A 216 4.236 -11.625 2.507 1.00 0.00 C ATOM 437 C ARG A 216 5.492 -11.283 3.304 1.00 0.00 C ATOM 438 O ARG A 216 6.115 -12.157 3.907 1.00 0.00 O ATOM 439 CB ARG A 216 4.623 -12.130 1.116 1.00 0.00 C ATOM 440 CG ARG A 216 3.431 -12.492 0.246 1.00 0.00 C ATOM 441 CD ARG A 216 3.827 -12.620 -1.217 1.00 0.00 C ATOM 442 NE ARG A 216 3.510 -13.939 -1.757 1.00 0.00 N ATOM 443 CZ ARG A 216 4.245 -15.022 -1.529 1.00 0.00 C ATOM 444 NH1 ARG A 216 5.333 -14.943 -0.775 1.00 0.00 N ATOM 445 NH2 ARG A 216 3.892 -16.188 -2.055 1.00 0.00 N ATOM 0 H ARG A 216 3.115 -10.209 1.441 1.00 0.00 H new ATOM 0 HA ARG A 216 3.695 -12.411 3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 216 5.211 -11.364 0.611 1.00 0.00 H new ATOM 0 HB3 ARG A 216 5.264 -13.005 1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 216 3.000 -13.432 0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 216 2.659 -11.730 0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 216 3.312 -11.856 -1.800 1.00 0.00 H new ATOM 0 HD3 ARG A 216 4.896 -12.433 -1.321 1.00 0.00 H new ATOM 0 HE ARG A 216 2.679 -14.034 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 216 5.608 -14.049 -0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 216 5.895 -15.776 -0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 216 3.056 -16.253 -2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 216 4.457 -17.019 -1.879 1.00 0.00 H new ATOM 459 N VAL A 217 5.858 -10.005 3.301 1.00 0.00 N ATOM 460 CA VAL A 217 7.039 -9.547 4.024 1.00 0.00 C ATOM 461 C VAL A 217 6.728 -9.324 5.499 1.00 0.00 C ATOM 462 O VAL A 217 7.617 -9.389 6.349 1.00 0.00 O ATOM 463 CB VAL A 217 7.592 -8.240 3.424 1.00 0.00 C ATOM 464 CG1 VAL A 217 7.783 -8.381 1.922 1.00 0.00 C ATOM 465 CG2 VAL A 217 6.669 -7.075 3.745 1.00 0.00 C ATOM 0 H VAL A 217 5.354 -9.269 2.806 1.00 0.00 H new ATOM 0 HA VAL A 217 7.792 -10.329 3.929 1.00 0.00 H new ATOM 0 HB VAL A 217 8.565 -8.038 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 217 8.174 -7.448 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 217 8.486 -9.188 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 217 6.825 -8.608 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 217 7.075 -6.160 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 217 5.681 -7.267 3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 217 6.588 -6.962 4.826 1.00 0.00 H new ATOM 475 N HIS A 218 5.460 -9.062 5.799 1.00 0.00 N ATOM 476 CA HIS A 218 5.030 -8.831 7.173 1.00 0.00 C ATOM 477 C HIS A 218 4.413 -10.093 7.769 1.00 0.00 C ATOM 478 O HIS A 218 5.033 -10.774 8.588 1.00 0.00 O ATOM 479 CB HIS A 218 4.024 -7.682 7.229 1.00 0.00 C ATOM 480 CG HIS A 218 4.598 -6.362 6.813 1.00 0.00 C ATOM 481 ND1 HIS A 218 5.656 -5.763 7.463 1.00 0.00 N ATOM 482 CD2 HIS A 218 4.256 -5.527 5.805 1.00 0.00 C ATOM 483 CE1 HIS A 218 5.939 -4.615 6.874 1.00 0.00 C ATOM 484 NE2 HIS A 218 5.104 -4.448 5.864 1.00 0.00 N ATOM 0 H HIS A 218 4.712 -9.004 5.108 1.00 0.00 H new ATOM 0 HA HIS A 218 5.908 -8.564 7.762 1.00 0.00 H new ATOM 0 HB2 HIS A 218 3.177 -7.920 6.585 1.00 0.00 H new ATOM 0 HB3 HIS A 218 3.638 -7.597 8.245 1.00 0.00 H new ATOM 0 HD1 HIS A 218 6.144 -6.146 8.272 1.00 0.00 H new ATOM 0 HD2 HIS A 218 3.464 -5.680 5.087 1.00 0.00 H new ATOM 0 HE1 HIS A 218 6.720 -3.930 7.168 1.00 0.00 H new ATOM 492 N THR A 219 3.188 -10.399 7.354 1.00 0.00 N ATOM 493 CA THR A 219 2.486 -11.578 7.848 1.00 0.00 C ATOM 494 C THR A 219 2.542 -12.715 6.835 1.00 0.00 C ATOM 495 O THR A 219 2.620 -12.483 5.630 1.00 0.00 O ATOM 496 CB THR A 219 1.013 -11.261 8.168 1.00 0.00 C ATOM 497 OG1 THR A 219 0.899 -9.932 8.690 1.00 0.00 O ATOM 498 CG2 THR A 219 0.451 -12.256 9.173 1.00 0.00 C ATOM 0 H THR A 219 2.661 -9.847 6.677 1.00 0.00 H new ATOM 0 HA THR A 219 2.990 -11.887 8.764 1.00 0.00 H new ATOM 0 HB THR A 219 0.439 -11.338 7.244 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.041 -9.738 8.889 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.590 -12.012 9.383 1.00 0.00 H new ATOM 0 HG22 THR A 219 0.511 -13.263 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.029 -12.207 10.096 1.00 0.00 H new ATOM 506 N GLY A 220 2.500 -13.948 7.333 1.00 0.00 N ATOM 507 CA GLY A 220 2.545 -15.103 6.457 1.00 0.00 C ATOM 508 C GLY A 220 1.517 -15.030 5.345 1.00 0.00 C ATOM 509 O GLY A 220 0.331 -15.268 5.571 1.00 0.00 O ATOM 0 H GLY A 220 2.436 -14.166 8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 220 3.541 -15.186 6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.377 -16.006 7.043 1.00 0.00 H new ATOM 513 N SER A 221 1.973 -14.697 4.141 1.00 0.00 N ATOM 514 CA SER A 221 1.083 -14.587 2.992 1.00 0.00 C ATOM 515 C SER A 221 1.638 -15.359 1.799 1.00 0.00 C ATOM 516 O SER A 221 1.352 -15.035 0.647 1.00 0.00 O ATOM 517 CB SER A 221 0.883 -13.118 2.614 1.00 0.00 C ATOM 518 OG SER A 221 0.000 -12.990 1.512 1.00 0.00 O ATOM 0 H SER A 221 2.953 -14.499 3.937 1.00 0.00 H new ATOM 0 HA SER A 221 0.121 -15.019 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 221 0.485 -12.570 3.468 1.00 0.00 H new ATOM 0 HB3 SER A 221 1.845 -12.669 2.367 1.00 0.00 H new ATOM 0 HG SER A 221 0.253 -13.629 0.814 1.00 0.00 H new ATOM 524 N GLY A 222 2.436 -16.384 2.085 1.00 0.00 N ATOM 525 CA GLY A 222 3.019 -17.188 1.027 1.00 0.00 C ATOM 526 C GLY A 222 3.404 -18.576 1.498 1.00 0.00 C ATOM 527 O GLY A 222 2.745 -19.567 1.183 1.00 0.00 O ATOM 0 H GLY A 222 2.689 -16.671 3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 222 2.308 -17.271 0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 222 3.902 -16.683 0.636 1.00 0.00 H new ATOM 531 N PRO A 223 4.498 -18.661 2.270 1.00 0.00 N ATOM 532 CA PRO A 223 4.995 -19.933 2.801 1.00 0.00 C ATOM 533 C PRO A 223 4.076 -20.515 3.870 1.00 0.00 C ATOM 534 O PRO A 223 3.523 -19.783 4.691 1.00 0.00 O ATOM 535 CB PRO A 223 6.350 -19.559 3.408 1.00 0.00 C ATOM 536 CG PRO A 223 6.231 -18.111 3.736 1.00 0.00 C ATOM 537 CD PRO A 223 5.332 -17.521 2.685 1.00 0.00 C ATOM 0 HA PRO A 223 5.055 -20.700 2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 223 6.562 -20.151 4.299 1.00 0.00 H new ATOM 0 HB3 PRO A 223 7.163 -19.740 2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 223 5.812 -17.970 4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 223 7.208 -17.628 3.730 1.00 0.00 H new ATOM 0 HD2 PRO A 223 4.728 -16.706 3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 223 5.903 -17.116 1.850 1.00 0.00 H new ATOM 545 N SER A 224 3.917 -21.834 3.853 1.00 0.00 N ATOM 546 CA SER A 224 3.061 -22.513 4.819 1.00 0.00 C ATOM 547 C SER A 224 3.504 -22.207 6.247 1.00 0.00 C ATOM 548 O SER A 224 2.687 -22.163 7.166 1.00 0.00 O ATOM 549 CB SER A 224 3.084 -24.024 4.579 1.00 0.00 C ATOM 550 OG SER A 224 3.526 -24.325 3.267 1.00 0.00 O ATOM 0 H SER A 224 4.369 -22.454 3.181 1.00 0.00 H new ATOM 0 HA SER A 224 2.043 -22.146 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 224 3.741 -24.501 5.306 1.00 0.00 H new ATOM 0 HB3 SER A 224 2.086 -24.435 4.733 1.00 0.00 H new ATOM 0 HG SER A 224 3.533 -25.297 3.139 1.00 0.00 H new ATOM 556 N SER A 225 4.805 -21.997 6.424 1.00 0.00 N ATOM 557 CA SER A 225 5.359 -21.699 7.740 1.00 0.00 C ATOM 558 C SER A 225 6.130 -20.383 7.719 1.00 0.00 C ATOM 559 O SER A 225 6.699 -20.000 6.697 1.00 0.00 O ATOM 560 CB SER A 225 6.276 -22.834 8.199 1.00 0.00 C ATOM 561 OG SER A 225 6.445 -22.815 9.606 1.00 0.00 O ATOM 0 H SER A 225 5.495 -22.028 5.673 1.00 0.00 H new ATOM 0 HA SER A 225 4.531 -21.604 8.443 1.00 0.00 H new ATOM 0 HB2 SER A 225 5.856 -23.792 7.893 1.00 0.00 H new ATOM 0 HB3 SER A 225 7.247 -22.741 7.712 1.00 0.00 H new ATOM 0 HG SER A 225 7.034 -23.551 9.875 1.00 0.00 H new ATOM 567 N GLY A 226 6.144 -19.694 8.856 1.00 0.00 N ATOM 568 CA GLY A 226 6.848 -18.428 8.948 1.00 0.00 C ATOM 569 C GLY A 226 6.168 -17.454 9.889 1.00 0.00 C ATOM 570 O GLY A 226 4.939 -17.427 9.939 1.00 0.00 O ATOM 0 H GLY A 226 5.680 -19.990 9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 226 7.868 -18.607 9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 226 6.918 -17.982 7.956 1.00 0.00 H new TER 574 GLY A 226 HETATM 575 ZN ZN A 301 4.049 -3.169 4.835 1.00 0.00 ZN