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= 0.0689 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= -0.698 X(o=-0.7,f=-0.74) USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 SER OG : rot 180:sc= 0 USER MOD Single : A 207 GLN : amide:sc=-0.00291 X(o=-0.0029,f=-0.43) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 SER OG : rot 160:sc= -0.592 USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 225 SER OG : rot 180:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 185 18.131 3.452 4.367 1.00 0.00 N ATOM 2 CA GLY A 185 17.792 4.574 3.511 1.00 0.00 C ATOM 3 C GLY A 185 16.415 5.135 3.807 1.00 0.00 C ATOM 4 O GLY A 185 16.116 5.495 4.946 1.00 0.00 O ATOM 0 HA2 GLY A 185 18.536 5.361 3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 185 17.836 4.258 2.469 1.00 0.00 H new ATOM 8 N SER A 186 15.575 5.210 2.780 1.00 0.00 N ATOM 9 CA SER A 186 14.224 5.736 2.935 1.00 0.00 C ATOM 10 C SER A 186 14.256 7.189 3.398 1.00 0.00 C ATOM 11 O SER A 186 15.312 7.821 3.421 1.00 0.00 O ATOM 12 CB SER A 186 13.435 4.888 3.935 1.00 0.00 C ATOM 13 OG SER A 186 13.632 3.505 3.697 1.00 0.00 O ATOM 0 H SER A 186 15.806 4.913 1.832 1.00 0.00 H new ATOM 0 HA SER A 186 13.731 5.693 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 186 13.746 5.134 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 186 12.374 5.126 3.861 1.00 0.00 H new ATOM 0 HG SER A 186 13.119 2.984 4.350 1.00 0.00 H new ATOM 19 N SER A 187 13.092 7.712 3.768 1.00 0.00 N ATOM 20 CA SER A 187 12.985 9.092 4.227 1.00 0.00 C ATOM 21 C SER A 187 11.606 9.361 4.823 1.00 0.00 C ATOM 22 O SER A 187 11.483 9.739 5.987 1.00 0.00 O ATOM 23 CB SER A 187 13.251 10.059 3.072 1.00 0.00 C ATOM 24 OG SER A 187 12.778 11.360 3.376 1.00 0.00 O ATOM 0 H SER A 187 12.209 7.201 3.759 1.00 0.00 H new ATOM 0 HA SER A 187 13.734 9.249 5.003 1.00 0.00 H new ATOM 0 HB2 SER A 187 14.320 10.097 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 187 12.764 9.694 2.168 1.00 0.00 H new ATOM 0 HG SER A 187 12.961 11.959 2.623 1.00 0.00 H new ATOM 30 N GLY A 188 10.570 9.163 4.014 1.00 0.00 N ATOM 31 CA GLY A 188 9.213 9.389 4.477 1.00 0.00 C ATOM 32 C GLY A 188 8.639 10.698 3.973 1.00 0.00 C ATOM 33 O GLY A 188 9.340 11.707 3.906 1.00 0.00 O ATOM 0 H GLY A 188 10.646 8.850 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 188 8.578 8.567 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 188 9.199 9.385 5.567 1.00 0.00 H new ATOM 37 N SER A 189 7.358 10.682 3.615 1.00 0.00 N ATOM 38 CA SER A 189 6.691 11.875 3.109 1.00 0.00 C ATOM 39 C SER A 189 5.177 11.755 3.255 1.00 0.00 C ATOM 40 O SER A 189 4.669 10.755 3.763 1.00 0.00 O ATOM 41 CB SER A 189 7.056 12.105 1.641 1.00 0.00 C ATOM 42 OG SER A 189 6.695 13.411 1.224 1.00 0.00 O ATOM 0 H SER A 189 6.762 9.856 3.666 1.00 0.00 H new ATOM 0 HA SER A 189 7.029 12.727 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.127 11.959 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.550 11.368 1.017 1.00 0.00 H new ATOM 0 HG SER A 189 6.940 13.533 0.283 1.00 0.00 H new ATOM 48 N SER A 190 4.462 12.782 2.807 1.00 0.00 N ATOM 49 CA SER A 190 3.006 12.794 2.892 1.00 0.00 C ATOM 50 C SER A 190 2.395 11.840 1.870 1.00 0.00 C ATOM 51 O SER A 190 3.038 11.465 0.891 1.00 0.00 O ATOM 52 CB SER A 190 2.474 14.211 2.666 1.00 0.00 C ATOM 53 OG SER A 190 1.450 14.524 3.595 1.00 0.00 O ATOM 0 H SER A 190 4.867 13.616 2.382 1.00 0.00 H new ATOM 0 HA SER A 190 2.721 12.461 3.890 1.00 0.00 H new ATOM 0 HB2 SER A 190 3.289 14.929 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 190 2.088 14.301 1.650 1.00 0.00 H new ATOM 0 HG SER A 190 1.127 15.435 3.432 1.00 0.00 H new ATOM 59 N GLY A 191 1.146 11.450 2.107 1.00 0.00 N ATOM 60 CA GLY A 191 0.467 10.543 1.201 1.00 0.00 C ATOM 61 C GLY A 191 -1.041 10.681 1.264 1.00 0.00 C ATOM 62 O GLY A 191 -1.597 11.692 0.838 1.00 0.00 O ATOM 0 H GLY A 191 0.592 11.746 2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 191 0.804 10.733 0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 191 0.745 9.517 1.443 1.00 0.00 H new ATOM 66 N GLY A 192 -1.706 9.659 1.795 1.00 0.00 N ATOM 67 CA GLY A 192 -3.153 9.690 1.901 1.00 0.00 C ATOM 68 C GLY A 192 -3.831 9.754 0.547 1.00 0.00 C ATOM 69 O GLY A 192 -4.947 10.260 0.428 1.00 0.00 O ATOM 0 H GLY A 192 -1.268 8.810 2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -3.495 8.802 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -3.453 10.553 2.495 1.00 0.00 H new ATOM 73 N GLU A 193 -3.156 9.240 -0.477 1.00 0.00 N ATOM 74 CA GLU A 193 -3.701 9.244 -1.829 1.00 0.00 C ATOM 75 C GLU A 193 -4.655 8.071 -2.034 1.00 0.00 C ATOM 76 O GLU A 193 -5.846 8.260 -2.283 1.00 0.00 O ATOM 77 CB GLU A 193 -2.570 9.181 -2.858 1.00 0.00 C ATOM 78 CG GLU A 193 -1.878 10.515 -3.083 1.00 0.00 C ATOM 79 CD GLU A 193 -0.488 10.358 -3.669 1.00 0.00 C ATOM 80 OE1 GLU A 193 -0.098 9.211 -3.974 1.00 0.00 O ATOM 81 OE2 GLU A 193 0.210 11.382 -3.824 1.00 0.00 O ATOM 0 H GLU A 193 -2.232 8.816 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 193 -4.257 10.171 -1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -1.832 8.449 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -2.972 8.825 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -2.484 11.126 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -1.811 11.050 -2.136 1.00 0.00 H new ATOM 88 N LYS A 194 -4.124 6.858 -1.928 1.00 0.00 N ATOM 89 CA LYS A 194 -4.926 5.653 -2.101 1.00 0.00 C ATOM 90 C LYS A 194 -5.395 5.113 -0.753 1.00 0.00 C ATOM 91 O LYS A 194 -4.773 5.343 0.284 1.00 0.00 O ATOM 92 CB LYS A 194 -4.122 4.581 -2.839 1.00 0.00 C ATOM 93 CG LYS A 194 -3.752 4.969 -4.261 1.00 0.00 C ATOM 94 CD LYS A 194 -4.966 4.961 -5.174 1.00 0.00 C ATOM 95 CE LYS A 194 -5.447 6.373 -5.474 1.00 0.00 C ATOM 96 NZ LYS A 194 -6.078 6.470 -6.819 1.00 0.00 N ATOM 0 H LYS A 194 -3.140 6.683 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.803 5.913 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -3.210 4.373 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.700 3.657 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -3.301 5.961 -4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -3.002 4.277 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -4.718 4.454 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -5.770 4.393 -4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -6.164 6.682 -4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -4.605 7.063 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -6.392 7.447 -6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -5.386 6.200 -7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -6.897 5.830 -6.865 1.00 0.00 H new ATOM 110 N PRO A 195 -6.516 4.377 -0.766 1.00 0.00 N ATOM 111 CA PRO A 195 -7.091 3.788 0.447 1.00 0.00 C ATOM 112 C PRO A 195 -6.236 2.654 1.001 1.00 0.00 C ATOM 113 O PRO A 195 -6.303 2.337 2.189 1.00 0.00 O ATOM 114 CB PRO A 195 -8.446 3.255 -0.026 1.00 0.00 C ATOM 115 CG PRO A 195 -8.269 3.012 -1.485 1.00 0.00 C ATOM 116 CD PRO A 195 -7.309 4.063 -1.967 1.00 0.00 C ATOM 0 HA PRO A 195 -7.162 4.512 1.258 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -8.716 2.338 0.498 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -9.242 3.975 0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -7.877 2.012 -1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -9.221 3.083 -2.011 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -6.681 3.693 -2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -7.832 4.942 -2.345 1.00 0.00 H new ATOM 124 N TYR A 196 -5.434 2.046 0.135 1.00 0.00 N ATOM 125 CA TYR A 196 -4.567 0.945 0.538 1.00 0.00 C ATOM 126 C TYR A 196 -3.227 1.466 1.049 1.00 0.00 C ATOM 127 O TYR A 196 -2.342 1.810 0.264 1.00 0.00 O ATOM 128 CB TYR A 196 -4.342 -0.011 -0.635 1.00 0.00 C ATOM 129 CG TYR A 196 -5.599 -0.311 -1.421 1.00 0.00 C ATOM 130 CD1 TYR A 196 -6.453 -1.338 -1.038 1.00 0.00 C ATOM 131 CD2 TYR A 196 -5.931 0.432 -2.547 1.00 0.00 C ATOM 132 CE1 TYR A 196 -7.601 -1.616 -1.753 1.00 0.00 C ATOM 133 CE2 TYR A 196 -7.078 0.162 -3.267 1.00 0.00 C ATOM 134 CZ TYR A 196 -7.910 -0.862 -2.867 1.00 0.00 C ATOM 135 OH TYR A 196 -9.053 -1.135 -3.583 1.00 0.00 O ATOM 0 H TYR A 196 -5.366 2.297 -0.851 1.00 0.00 H new ATOM 0 HA TYR A 196 -5.059 0.406 1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -3.598 0.419 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -3.928 -0.946 -0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -6.215 -1.929 -0.166 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.281 1.234 -2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.253 -2.419 -1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -7.322 0.750 -4.139 1.00 0.00 H new ATOM 0 HH TYR A 196 -9.124 -0.512 -4.336 1.00 0.00 H new ATOM 145 N ARG A 197 -3.084 1.520 2.369 1.00 0.00 N ATOM 146 CA ARG A 197 -1.853 1.999 2.985 1.00 0.00 C ATOM 147 C ARG A 197 -1.422 1.079 4.124 1.00 0.00 C ATOM 148 O ARG A 197 -2.078 1.012 5.164 1.00 0.00 O ATOM 149 CB ARG A 197 -2.041 3.424 3.509 1.00 0.00 C ATOM 150 CG ARG A 197 -0.845 3.949 4.286 1.00 0.00 C ATOM 151 CD ARG A 197 -0.265 5.197 3.640 1.00 0.00 C ATOM 152 NE ARG A 197 0.625 5.920 4.545 1.00 0.00 N ATOM 153 CZ ARG A 197 0.196 6.739 5.499 1.00 0.00 C ATOM 154 NH1 ARG A 197 -1.104 6.937 5.672 1.00 0.00 N ATOM 155 NH2 ARG A 197 1.067 7.360 6.283 1.00 0.00 N ATOM 0 H ARG A 197 -3.806 1.238 3.032 1.00 0.00 H new ATOM 0 HA ARG A 197 -1.072 1.999 2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -2.237 4.089 2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -2.922 3.453 4.151 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -1.145 4.174 5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -0.078 3.177 4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 197 0.283 4.918 2.740 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -1.077 5.854 3.328 1.00 0.00 H new ATOM 0 HE ARG A 197 1.631 5.789 4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -1.777 6.460 5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -1.431 7.566 6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 197 2.067 7.209 6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 197 0.736 7.989 7.015 1.00 0.00 H new ATOM 169 N CYS A 198 -0.316 0.372 3.921 1.00 0.00 N ATOM 170 CA CYS A 198 0.203 -0.545 4.929 1.00 0.00 C ATOM 171 C CYS A 198 0.702 0.218 6.153 1.00 0.00 C ATOM 172 O CYS A 198 1.471 1.172 6.032 1.00 0.00 O ATOM 173 CB CYS A 198 1.337 -1.390 4.344 1.00 0.00 C ATOM 174 SG CYS A 198 1.744 -2.869 5.326 1.00 0.00 S ATOM 0 H CYS A 198 0.239 0.416 3.066 1.00 0.00 H new ATOM 0 HA CYS A 198 -0.609 -1.203 5.239 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.062 -1.701 3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.229 -0.770 4.254 1.00 0.00 H new ATOM 179 N ASP A 199 0.257 -0.208 7.330 1.00 0.00 N ATOM 180 CA ASP A 199 0.658 0.434 8.576 1.00 0.00 C ATOM 181 C ASP A 199 1.884 -0.253 9.171 1.00 0.00 C ATOM 182 O ASP A 199 2.479 0.239 10.129 1.00 0.00 O ATOM 183 CB ASP A 199 -0.494 0.408 9.582 1.00 0.00 C ATOM 184 CG ASP A 199 -1.092 1.781 9.812 1.00 0.00 C ATOM 185 OD1 ASP A 199 -1.922 2.213 8.985 1.00 0.00 O ATOM 186 OD2 ASP A 199 -0.730 2.426 10.819 1.00 0.00 O ATOM 0 H ASP A 199 -0.381 -0.995 7.447 1.00 0.00 H new ATOM 0 HA ASP A 199 0.915 1.470 8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 199 -1.270 -0.268 9.224 1.00 0.00 H new ATOM 0 HB3 ASP A 199 -0.136 0.007 10.530 1.00 0.00 H new ATOM 191 N GLN A 200 2.255 -1.392 8.596 1.00 0.00 N ATOM 192 CA GLN A 200 3.409 -2.147 9.070 1.00 0.00 C ATOM 193 C GLN A 200 4.710 -1.492 8.620 1.00 0.00 C ATOM 194 O GLN A 200 5.699 -1.481 9.355 1.00 0.00 O ATOM 195 CB GLN A 200 3.347 -3.588 8.561 1.00 0.00 C ATOM 196 CG GLN A 200 2.100 -4.337 9.004 1.00 0.00 C ATOM 197 CD GLN A 200 2.414 -5.696 9.595 1.00 0.00 C ATOM 198 OE1 GLN A 200 3.383 -5.854 10.339 1.00 0.00 O ATOM 199 NE2 GLN A 200 1.595 -6.689 9.268 1.00 0.00 N ATOM 0 H GLN A 200 1.773 -1.812 7.801 1.00 0.00 H new ATOM 0 HA GLN A 200 3.384 -2.153 10.160 1.00 0.00 H new ATOM 0 HB2 GLN A 200 3.389 -3.582 7.472 1.00 0.00 H new ATOM 0 HB3 GLN A 200 4.228 -4.126 8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 200 1.565 -3.739 9.742 1.00 0.00 H new ATOM 0 HG3 GLN A 200 1.433 -4.462 8.151 1.00 0.00 H new ATOM 0 HE21 GLN A 200 0.804 -6.514 8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 200 1.757 -7.626 9.637 1.00 0.00 H new ATOM 208 N CYS A 201 4.704 -0.946 7.409 1.00 0.00 N ATOM 209 CA CYS A 201 5.884 -0.290 6.859 1.00 0.00 C ATOM 210 C CYS A 201 5.593 1.174 6.541 1.00 0.00 C ATOM 211 O CYS A 201 6.470 2.030 6.649 1.00 0.00 O ATOM 212 CB CYS A 201 6.355 -1.014 5.597 1.00 0.00 C ATOM 213 SG CYS A 201 5.112 -1.074 4.266 1.00 0.00 S ATOM 0 H CYS A 201 3.894 -0.945 6.789 1.00 0.00 H new ATOM 0 HA CYS A 201 6.674 -0.331 7.608 1.00 0.00 H new ATOM 0 HB2 CYS A 201 7.251 -0.520 5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.639 -2.033 5.860 1.00 0.00 H new ATOM 218 N GLY A 202 4.354 1.453 6.147 1.00 0.00 N ATOM 219 CA GLY A 202 3.969 2.814 5.818 1.00 0.00 C ATOM 220 C GLY A 202 4.056 3.098 4.332 1.00 0.00 C ATOM 221 O GLY A 202 4.659 4.087 3.915 1.00 0.00 O ATOM 0 H GLY A 202 3.610 0.762 6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.949 2.993 6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 202 4.612 3.510 6.356 1.00 0.00 H new ATOM 225 N LYS A 203 3.453 2.228 3.529 1.00 0.00 N ATOM 226 CA LYS A 203 3.465 2.389 2.080 1.00 0.00 C ATOM 227 C LYS A 203 2.057 2.644 1.550 1.00 0.00 C ATOM 228 O LYS A 203 1.098 2.711 2.317 1.00 0.00 O ATOM 229 CB LYS A 203 4.055 1.144 1.412 1.00 0.00 C ATOM 230 CG LYS A 203 5.493 1.322 0.959 1.00 0.00 C ATOM 231 CD LYS A 203 5.579 1.586 -0.535 1.00 0.00 C ATOM 232 CE LYS A 203 6.459 2.789 -0.839 1.00 0.00 C ATOM 233 NZ LYS A 203 7.295 2.572 -2.052 1.00 0.00 N ATOM 0 H LYS A 203 2.950 1.404 3.857 1.00 0.00 H new ATOM 0 HA LYS A 203 4.087 3.251 1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 203 4.003 0.308 2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.442 0.879 0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 203 5.947 2.151 1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 203 6.066 0.428 1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 203 5.978 0.706 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 203 4.579 1.756 -0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 203 5.833 3.670 -0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 203 7.105 2.992 0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 7.880 3.414 -2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.911 1.747 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 6.679 2.404 -2.873 1.00 0.00 H new ATOM 247 N ALA A 204 1.942 2.783 0.233 1.00 0.00 N ATOM 248 CA ALA A 204 0.651 3.027 -0.399 1.00 0.00 C ATOM 249 C ALA A 204 0.529 2.259 -1.711 1.00 0.00 C ATOM 250 O ALA A 204 1.486 2.167 -2.480 1.00 0.00 O ATOM 251 CB ALA A 204 0.453 4.517 -0.637 1.00 0.00 C ATOM 0 H ALA A 204 2.727 2.731 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.129 2.671 0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.515 4.685 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.488 5.045 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 204 1.244 4.890 -1.288 1.00 0.00 H new ATOM 257 N PHE A 205 -0.655 1.708 -1.960 1.00 0.00 N ATOM 258 CA PHE A 205 -0.902 0.946 -3.178 1.00 0.00 C ATOM 259 C PHE A 205 -2.175 1.424 -3.870 1.00 0.00 C ATOM 260 O PHE A 205 -3.108 1.896 -3.220 1.00 0.00 O ATOM 261 CB PHE A 205 -1.012 -0.546 -2.858 1.00 0.00 C ATOM 262 CG PHE A 205 0.074 -1.046 -1.949 1.00 0.00 C ATOM 263 CD1 PHE A 205 -0.051 -0.935 -0.573 1.00 0.00 C ATOM 264 CD2 PHE A 205 1.220 -1.625 -2.469 1.00 0.00 C ATOM 265 CE1 PHE A 205 0.947 -1.394 0.267 1.00 0.00 C ATOM 266 CE2 PHE A 205 2.220 -2.086 -1.634 1.00 0.00 C ATOM 267 CZ PHE A 205 2.084 -1.970 -0.265 1.00 0.00 C ATOM 0 H PHE A 205 -1.458 1.775 -1.334 1.00 0.00 H new ATOM 0 HA PHE A 205 -0.061 1.105 -3.853 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -1.980 -0.740 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -0.985 -1.112 -3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -0.938 -0.485 -0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 205 1.333 -1.717 -3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 205 0.838 -1.302 1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 205 3.108 -2.537 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 205 2.865 -2.329 0.389 1.00 0.00 H new ATOM 277 N SER A 206 -2.205 1.299 -5.193 1.00 0.00 N ATOM 278 CA SER A 206 -3.361 1.722 -5.975 1.00 0.00 C ATOM 279 C SER A 206 -4.457 0.662 -5.942 1.00 0.00 C ATOM 280 O SER A 206 -5.642 0.977 -6.040 1.00 0.00 O ATOM 281 CB SER A 206 -2.950 2.003 -7.422 1.00 0.00 C ATOM 282 OG SER A 206 -2.957 3.393 -7.694 1.00 0.00 O ATOM 0 H SER A 206 -1.442 0.908 -5.746 1.00 0.00 H new ATOM 0 HA SER A 206 -3.752 2.638 -5.532 1.00 0.00 H new ATOM 0 HB2 SER A 206 -1.955 1.599 -7.606 1.00 0.00 H new ATOM 0 HB3 SER A 206 -3.632 1.493 -8.102 1.00 0.00 H new ATOM 0 HG SER A 206 -2.689 3.546 -8.624 1.00 0.00 H new ATOM 288 N GLN A 207 -4.050 -0.596 -5.804 1.00 0.00 N ATOM 289 CA GLN A 207 -4.997 -1.704 -5.759 1.00 0.00 C ATOM 290 C GLN A 207 -4.827 -2.513 -4.477 1.00 0.00 C ATOM 291 O GLN A 207 -3.825 -2.381 -3.775 1.00 0.00 O ATOM 292 CB GLN A 207 -4.812 -2.610 -6.977 1.00 0.00 C ATOM 293 CG GLN A 207 -4.713 -1.852 -8.290 1.00 0.00 C ATOM 294 CD GLN A 207 -5.956 -1.037 -8.589 1.00 0.00 C ATOM 295 OE1 GLN A 207 -7.069 -1.430 -8.239 1.00 0.00 O ATOM 296 NE2 GLN A 207 -5.773 0.106 -9.240 1.00 0.00 N ATOM 0 H GLN A 207 -3.072 -0.873 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 207 -6.005 -1.289 -5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 207 -3.909 -3.206 -6.842 1.00 0.00 H new ATOM 0 HB3 GLN A 207 -5.649 -3.307 -7.032 1.00 0.00 H new ATOM 0 HG2 GLN A 207 -3.848 -1.190 -8.258 1.00 0.00 H new ATOM 0 HG3 GLN A 207 -4.543 -2.560 -9.102 1.00 0.00 H new ATOM 0 HE21 GLN A 207 -4.833 0.394 -9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 207 -6.573 0.696 -9.469 1.00 0.00 H new ATOM 305 N LYS A 208 -5.814 -3.352 -4.178 1.00 0.00 N ATOM 306 CA LYS A 208 -5.774 -4.185 -2.982 1.00 0.00 C ATOM 307 C LYS A 208 -4.849 -5.381 -3.182 1.00 0.00 C ATOM 308 O LYS A 208 -3.949 -5.623 -2.379 1.00 0.00 O ATOM 309 CB LYS A 208 -7.182 -4.669 -2.626 1.00 0.00 C ATOM 310 CG LYS A 208 -7.401 -4.857 -1.135 1.00 0.00 C ATOM 311 CD LYS A 208 -6.898 -6.211 -0.663 1.00 0.00 C ATOM 312 CE LYS A 208 -6.683 -6.232 0.842 1.00 0.00 C ATOM 313 NZ LYS A 208 -7.851 -6.813 1.561 1.00 0.00 N ATOM 0 H LYS A 208 -6.651 -3.473 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 208 -5.385 -3.581 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -7.910 -3.952 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -7.372 -5.614 -3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -6.887 -4.066 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.463 -4.763 -0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -7.615 -6.983 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -5.962 -6.449 -1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -5.789 -6.812 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -6.506 -5.217 1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -7.665 -6.810 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -8.699 -6.245 1.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -8.005 -7.790 1.240 1.00 0.00 H new ATOM 327 N GLY A 209 -5.077 -6.126 -4.259 1.00 0.00 N ATOM 328 CA GLY A 209 -4.254 -7.287 -4.545 1.00 0.00 C ATOM 329 C GLY A 209 -2.772 -6.987 -4.444 1.00 0.00 C ATOM 330 O GLY A 209 -2.016 -7.755 -3.849 1.00 0.00 O ATOM 0 H GLY A 209 -5.816 -5.947 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -4.507 -8.088 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -4.480 -7.651 -5.547 1.00 0.00 H new ATOM 334 N SER A 210 -2.355 -5.868 -5.027 1.00 0.00 N ATOM 335 CA SER A 210 -0.952 -5.471 -5.004 1.00 0.00 C ATOM 336 C SER A 210 -0.406 -5.488 -3.580 1.00 0.00 C ATOM 337 O SER A 210 0.737 -5.885 -3.346 1.00 0.00 O ATOM 338 CB SER A 210 -0.785 -4.076 -5.610 1.00 0.00 C ATOM 339 OG SER A 210 -1.718 -3.858 -6.654 1.00 0.00 O ATOM 0 H SER A 210 -2.969 -5.220 -5.521 1.00 0.00 H new ATOM 0 HA SER A 210 -0.387 -6.188 -5.600 1.00 0.00 H new ATOM 0 HB2 SER A 210 -0.919 -3.321 -4.835 1.00 0.00 H new ATOM 0 HB3 SER A 210 0.229 -3.962 -5.994 1.00 0.00 H new ATOM 0 HG SER A 210 -1.819 -2.895 -6.806 1.00 0.00 H new ATOM 345 N LEU A 211 -1.229 -5.055 -2.632 1.00 0.00 N ATOM 346 CA LEU A 211 -0.830 -5.021 -1.229 1.00 0.00 C ATOM 347 C LEU A 211 -0.747 -6.430 -0.652 1.00 0.00 C ATOM 348 O LEU A 211 0.079 -6.706 0.220 1.00 0.00 O ATOM 349 CB LEU A 211 -1.819 -4.182 -0.418 1.00 0.00 C ATOM 350 CG LEU A 211 -1.773 -4.371 1.099 1.00 0.00 C ATOM 351 CD1 LEU A 211 -0.366 -4.129 1.624 1.00 0.00 C ATOM 352 CD2 LEU A 211 -2.766 -3.442 1.783 1.00 0.00 C ATOM 0 H LEU A 211 -2.177 -4.722 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 211 0.158 -4.566 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.639 -3.130 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -2.827 -4.412 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 211 -2.052 -5.400 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.352 -4.268 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.322 -4.835 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -0.059 -3.111 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -2.719 -3.590 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -2.517 -2.407 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -3.773 -3.662 1.430 1.00 0.00 H new ATOM 364 N ILE A 212 -1.604 -7.317 -1.144 1.00 0.00 N ATOM 365 CA ILE A 212 -1.624 -8.699 -0.679 1.00 0.00 C ATOM 366 C ILE A 212 -0.287 -9.385 -0.936 1.00 0.00 C ATOM 367 O ILE A 212 0.134 -10.253 -0.172 1.00 0.00 O ATOM 368 CB ILE A 212 -2.743 -9.506 -1.363 1.00 0.00 C ATOM 369 CG1 ILE A 212 -4.070 -8.747 -1.288 1.00 0.00 C ATOM 370 CG2 ILE A 212 -2.875 -10.878 -0.719 1.00 0.00 C ATOM 371 CD1 ILE A 212 -5.246 -9.531 -1.825 1.00 0.00 C ATOM 0 H ILE A 212 -2.294 -7.104 -1.865 1.00 0.00 H new ATOM 0 HA ILE A 212 -1.813 -8.669 0.394 1.00 0.00 H new ATOM 0 HB ILE A 212 -2.483 -9.641 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -4.267 -8.478 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -3.979 -7.816 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -3.670 -11.437 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -1.934 -11.419 -0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.116 -10.762 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -6.152 -8.931 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 212 -5.071 -9.778 -2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -5.364 -10.450 -1.250 1.00 0.00 H new ATOM 383 N VAL A 213 0.377 -8.989 -2.017 1.00 0.00 N ATOM 384 CA VAL A 213 1.668 -9.563 -2.374 1.00 0.00 C ATOM 385 C VAL A 213 2.793 -8.939 -1.556 1.00 0.00 C ATOM 386 O VAL A 213 3.926 -9.422 -1.567 1.00 0.00 O ATOM 387 CB VAL A 213 1.972 -9.373 -3.872 1.00 0.00 C ATOM 388 CG1 VAL A 213 3.212 -10.160 -4.270 1.00 0.00 C ATOM 389 CG2 VAL A 213 0.775 -9.786 -4.715 1.00 0.00 C ATOM 0 H VAL A 213 0.042 -8.273 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 213 1.611 -10.629 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 213 2.168 -8.316 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 213 3.411 -10.013 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 213 4.066 -9.811 -3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 213 3.049 -11.220 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 213 1.007 -9.645 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 213 0.545 -10.835 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -0.086 -9.174 -4.448 1.00 0.00 H new ATOM 399 N HIS A 214 2.473 -7.862 -0.845 1.00 0.00 N ATOM 400 CA HIS A 214 3.456 -7.172 -0.019 1.00 0.00 C ATOM 401 C HIS A 214 3.428 -7.697 1.413 1.00 0.00 C ATOM 402 O HIS A 214 4.460 -7.759 2.082 1.00 0.00 O ATOM 403 CB HIS A 214 3.193 -5.665 -0.027 1.00 0.00 C ATOM 404 CG HIS A 214 3.695 -4.963 1.197 1.00 0.00 C ATOM 405 ND1 HIS A 214 5.012 -4.588 1.363 1.00 0.00 N ATOM 406 CD2 HIS A 214 3.049 -4.566 2.317 1.00 0.00 C ATOM 407 CE1 HIS A 214 5.154 -3.992 2.533 1.00 0.00 C ATOM 408 NE2 HIS A 214 3.977 -3.965 3.132 1.00 0.00 N ATOM 0 H HIS A 214 1.541 -7.449 -0.825 1.00 0.00 H new ATOM 0 HA HIS A 214 4.444 -7.363 -0.438 1.00 0.00 H new ATOM 0 HB2 HIS A 214 3.665 -5.227 -0.906 1.00 0.00 H new ATOM 0 HB3 HIS A 214 2.121 -5.492 -0.121 1.00 0.00 H new ATOM 0 HD1 HIS A 214 5.760 -4.746 0.687 1.00 0.00 H new ATOM 0 HD2 HIS A 214 1.999 -4.697 2.531 1.00 0.00 H new ATOM 0 HE1 HIS A 214 6.075 -3.594 2.932 1.00 0.00 H new ATOM 416 N ILE A 215 2.241 -8.073 1.877 1.00 0.00 N ATOM 417 CA ILE A 215 2.079 -8.593 3.229 1.00 0.00 C ATOM 418 C ILE A 215 2.948 -9.826 3.451 1.00 0.00 C ATOM 419 O ILE A 215 3.249 -10.189 4.589 1.00 0.00 O ATOM 420 CB ILE A 215 0.611 -8.954 3.521 1.00 0.00 C ATOM 421 CG1 ILE A 215 -0.285 -7.728 3.338 1.00 0.00 C ATOM 422 CG2 ILE A 215 0.473 -9.512 4.930 1.00 0.00 C ATOM 423 CD1 ILE A 215 -1.750 -8.069 3.173 1.00 0.00 C ATOM 0 H ILE A 215 1.377 -8.027 1.336 1.00 0.00 H new ATOM 0 HA ILE A 215 2.393 -7.803 3.911 1.00 0.00 H new ATOM 0 HB ILE A 215 0.294 -9.721 2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.168 -7.071 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.051 -7.170 2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -0.570 -9.762 5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 215 1.085 -10.408 5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 215 0.805 -8.765 5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -2.325 -7.152 3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -1.880 -8.701 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -2.102 -8.600 4.057 1.00 0.00 H new ATOM 435 N ARG A 216 3.349 -10.466 2.358 1.00 0.00 N ATOM 436 CA ARG A 216 4.185 -11.658 2.433 1.00 0.00 C ATOM 437 C ARG A 216 5.456 -11.382 3.231 1.00 0.00 C ATOM 438 O ARG A 216 6.052 -12.293 3.805 1.00 0.00 O ATOM 439 CB ARG A 216 4.548 -12.142 1.028 1.00 0.00 C ATOM 440 CG ARG A 216 3.354 -12.246 0.093 1.00 0.00 C ATOM 441 CD ARG A 216 3.164 -13.668 -0.412 1.00 0.00 C ATOM 442 NE ARG A 216 4.128 -14.012 -1.454 1.00 0.00 N ATOM 443 CZ ARG A 216 3.978 -15.039 -2.283 1.00 0.00 C ATOM 444 NH1 ARG A 216 2.908 -15.818 -2.193 1.00 0.00 N ATOM 445 NH2 ARG A 216 4.898 -15.288 -3.206 1.00 0.00 N ATOM 0 H ARG A 216 3.108 -10.179 1.409 1.00 0.00 H new ATOM 0 HA ARG A 216 3.618 -12.437 2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 216 5.279 -11.459 0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 216 5.027 -13.118 1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 216 2.453 -11.920 0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 216 3.494 -11.574 -0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 216 3.265 -14.365 0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 216 2.153 -13.782 -0.802 1.00 0.00 H new ATOM 0 HE ARG A 216 4.962 -13.432 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 216 2.198 -15.629 -1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 216 2.796 -16.606 -2.831 1.00 0.00 H new ATOM 0 HH21 ARG A 216 5.721 -14.691 -3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 216 4.782 -16.077 -3.842 1.00 0.00 H new ATOM 459 N VAL A 217 5.865 -10.117 3.263 1.00 0.00 N ATOM 460 CA VAL A 217 7.065 -9.720 3.991 1.00 0.00 C ATOM 461 C VAL A 217 6.755 -9.460 5.461 1.00 0.00 C ATOM 462 O VAL A 217 7.632 -9.564 6.319 1.00 0.00 O ATOM 463 CB VAL A 217 7.700 -8.457 3.380 1.00 0.00 C ATOM 464 CG1 VAL A 217 7.921 -8.639 1.886 1.00 0.00 C ATOM 465 CG2 VAL A 217 6.830 -7.239 3.654 1.00 0.00 C ATOM 0 H VAL A 217 5.383 -9.350 2.794 1.00 0.00 H new ATOM 0 HA VAL A 217 7.771 -10.547 3.912 1.00 0.00 H new ATOM 0 HB VAL A 217 8.671 -8.296 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 217 8.370 -7.736 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 217 8.586 -9.486 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 217 6.965 -8.826 1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 217 7.293 -6.355 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 217 5.845 -7.389 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 217 6.728 -7.099 4.730 1.00 0.00 H new ATOM 475 N HIS A 218 5.501 -9.123 5.745 1.00 0.00 N ATOM 476 CA HIS A 218 5.074 -8.848 7.112 1.00 0.00 C ATOM 477 C HIS A 218 4.496 -10.102 7.763 1.00 0.00 C ATOM 478 O HIS A 218 5.137 -10.728 8.607 1.00 0.00 O ATOM 479 CB HIS A 218 4.036 -7.726 7.130 1.00 0.00 C ATOM 480 CG HIS A 218 4.595 -6.387 6.759 1.00 0.00 C ATOM 481 ND1 HIS A 218 5.659 -5.808 7.417 1.00 0.00 N ATOM 482 CD2 HIS A 218 4.233 -5.514 5.790 1.00 0.00 C ATOM 483 CE1 HIS A 218 5.926 -4.635 6.871 1.00 0.00 C ATOM 484 NE2 HIS A 218 5.075 -4.433 5.881 1.00 0.00 N ATOM 0 H HIS A 218 4.763 -9.034 5.047 1.00 0.00 H new ATOM 0 HA HIS A 218 5.948 -8.533 7.682 1.00 0.00 H new ATOM 0 HB2 HIS A 218 3.229 -7.977 6.441 1.00 0.00 H new ATOM 0 HB3 HIS A 218 3.597 -7.664 8.126 1.00 0.00 H new ATOM 0 HD1 HIS A 218 6.162 -6.221 8.203 1.00 0.00 H new ATOM 0 HD2 HIS A 218 3.431 -5.643 5.078 1.00 0.00 H new ATOM 0 HE1 HIS A 218 6.707 -3.957 7.181 1.00 0.00 H new ATOM 492 N THR A 219 3.280 -10.463 7.365 1.00 0.00 N ATOM 493 CA THR A 219 2.615 -11.639 7.910 1.00 0.00 C ATOM 494 C THR A 219 2.645 -12.797 6.918 1.00 0.00 C ATOM 495 O THR A 219 2.671 -12.588 5.706 1.00 0.00 O ATOM 496 CB THR A 219 1.152 -11.336 8.283 1.00 0.00 C ATOM 497 OG1 THR A 219 0.996 -9.939 8.557 1.00 0.00 O ATOM 498 CG2 THR A 219 0.723 -12.147 9.496 1.00 0.00 C ATOM 0 H THR A 219 2.736 -9.957 6.666 1.00 0.00 H new ATOM 0 HA THR A 219 3.161 -11.921 8.811 1.00 0.00 H new ATOM 0 HB THR A 219 0.520 -11.613 7.439 1.00 0.00 H new ATOM 0 HG1 THR A 219 0.063 -9.754 8.792 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.314 -11.916 9.740 1.00 0.00 H new ATOM 0 HG22 THR A 219 0.815 -13.210 9.274 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.360 -11.897 10.345 1.00 0.00 H new ATOM 506 N GLY A 220 2.641 -14.019 7.441 1.00 0.00 N ATOM 507 CA GLY A 220 2.667 -15.192 6.587 1.00 0.00 C ATOM 508 C GLY A 220 1.592 -15.156 5.519 1.00 0.00 C ATOM 509 O GLY A 220 0.421 -15.412 5.799 1.00 0.00 O ATOM 0 H GLY A 220 2.620 -14.218 8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 220 3.645 -15.270 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.538 -16.085 7.198 1.00 0.00 H new ATOM 513 N SER A 221 1.989 -14.836 4.292 1.00 0.00 N ATOM 514 CA SER A 221 1.050 -14.761 3.179 1.00 0.00 C ATOM 515 C SER A 221 1.383 -15.804 2.116 1.00 0.00 C ATOM 516 O SER A 221 0.511 -16.245 1.369 1.00 0.00 O ATOM 517 CB SER A 221 1.069 -13.362 2.561 1.00 0.00 C ATOM 518 OG SER A 221 -0.242 -12.836 2.450 1.00 0.00 O ATOM 0 H SER A 221 2.955 -14.624 4.043 1.00 0.00 H new ATOM 0 HA SER A 221 0.051 -14.966 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 221 1.680 -12.699 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 221 1.533 -13.403 1.575 1.00 0.00 H new ATOM 0 HG SER A 221 -0.203 -11.941 2.054 1.00 0.00 H new ATOM 524 N GLY A 222 2.653 -16.194 2.056 1.00 0.00 N ATOM 525 CA GLY A 222 3.080 -17.181 1.082 1.00 0.00 C ATOM 526 C GLY A 222 4.359 -17.884 1.492 1.00 0.00 C ATOM 527 O GLY A 222 4.347 -19.037 1.926 1.00 0.00 O ATOM 0 H GLY A 222 3.393 -15.844 2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 222 2.290 -17.920 0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 222 3.229 -16.695 0.118 1.00 0.00 H new ATOM 531 N PRO A 223 5.494 -17.184 1.354 1.00 0.00 N ATOM 532 CA PRO A 223 6.808 -17.729 1.707 1.00 0.00 C ATOM 533 C PRO A 223 6.981 -17.899 3.213 1.00 0.00 C ATOM 534 O PRO A 223 7.467 -16.999 3.897 1.00 0.00 O ATOM 535 CB PRO A 223 7.784 -16.678 1.172 1.00 0.00 C ATOM 536 CG PRO A 223 7.001 -15.411 1.151 1.00 0.00 C ATOM 537 CD PRO A 223 5.583 -15.806 0.844 1.00 0.00 C ATOM 0 HA PRO A 223 6.961 -18.724 1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 223 8.662 -16.590 1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 223 8.141 -16.940 0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 223 7.064 -14.897 2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 223 7.387 -14.726 0.396 1.00 0.00 H new ATOM 0 HD2 PRO A 223 4.867 -15.148 1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 223 5.375 -15.759 -0.225 1.00 0.00 H new ATOM 545 N SER A 224 6.578 -19.058 3.723 1.00 0.00 N ATOM 546 CA SER A 224 6.685 -19.344 5.149 1.00 0.00 C ATOM 547 C SER A 224 8.146 -19.484 5.567 1.00 0.00 C ATOM 548 O SER A 224 9.001 -19.853 4.762 1.00 0.00 O ATOM 549 CB SER A 224 5.920 -20.624 5.493 1.00 0.00 C ATOM 550 OG SER A 224 6.618 -21.391 6.458 1.00 0.00 O ATOM 0 H SER A 224 6.174 -19.814 3.170 1.00 0.00 H new ATOM 0 HA SER A 224 6.247 -18.509 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 224 4.931 -20.369 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 224 5.772 -21.217 4.590 1.00 0.00 H new ATOM 0 HG SER A 224 6.108 -22.203 6.662 1.00 0.00 H new ATOM 556 N SER A 225 8.424 -19.184 6.832 1.00 0.00 N ATOM 557 CA SER A 225 9.781 -19.272 7.357 1.00 0.00 C ATOM 558 C SER A 225 10.731 -18.385 6.559 1.00 0.00 C ATOM 559 O SER A 225 10.306 -17.623 5.691 1.00 0.00 O ATOM 560 CB SER A 225 10.271 -20.721 7.325 1.00 0.00 C ATOM 561 OG SER A 225 11.336 -20.920 8.238 1.00 0.00 O ATOM 0 H SER A 225 7.728 -18.878 7.512 1.00 0.00 H new ATOM 0 HA SER A 225 9.767 -18.924 8.390 1.00 0.00 H new ATOM 0 HB2 SER A 225 9.448 -21.392 7.570 1.00 0.00 H new ATOM 0 HB3 SER A 225 10.600 -20.975 6.317 1.00 0.00 H new ATOM 0 HG SER A 225 11.630 -21.854 8.199 1.00 0.00 H new ATOM 567 N GLY A 226 12.022 -18.489 6.860 1.00 0.00 N ATOM 568 CA GLY A 226 13.013 -17.691 6.163 1.00 0.00 C ATOM 569 C GLY A 226 14.383 -17.776 6.806 1.00 0.00 C ATOM 570 O GLY A 226 14.465 -17.920 8.025 1.00 0.00 O ATOM 0 H GLY A 226 12.399 -19.112 7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 226 13.080 -18.024 5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 226 12.688 -16.651 6.143 1.00 0.00 H new TER 574 GLY A 226 HETATM 575 ZN ZN A 301 4.028 -3.130 4.838 1.00 0.00 ZN