USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 280 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 214 HIS HE2 : A 214 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 218 HIS HE2 : A 218 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD Single : A 186 SER OG : rot 180:sc= 0 USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 SER OG : rot 180:sc=-0.000963 USER MOD Single : A 190 SER OG : rot 180:sc= -0.146 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= -0.0583 K(o=-0.058,f=-1.2) 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 X(o=0,f=0) USER MOD Single : A 208 LYS NZ :NH3+ -167:sc= -0.0163 (180deg=-0.226) USER MOD Single : A 210 SER OG : rot 180:sc= -0.646 USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot -170:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 SER OG : rot 58:sc= 0.0316 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 185 18.049 10.456 13.910 1.00 0.00 N ATOM 2 CA GLY A 185 16.681 10.022 13.693 1.00 0.00 C ATOM 3 C GLY A 185 16.121 10.510 12.371 1.00 0.00 C ATOM 4 O GLY A 185 16.829 11.137 11.583 1.00 0.00 O ATOM 0 HA2 GLY A 185 16.640 8.933 13.722 1.00 0.00 H new ATOM 0 HA3 GLY A 185 16.054 10.387 14.507 1.00 0.00 H new ATOM 8 N SER A 186 14.847 10.220 12.127 1.00 0.00 N ATOM 9 CA SER A 186 14.194 10.629 10.889 1.00 0.00 C ATOM 10 C SER A 186 12.723 10.951 11.131 1.00 0.00 C ATOM 11 O SER A 186 12.112 10.444 12.072 1.00 0.00 O ATOM 12 CB SER A 186 14.320 9.528 9.834 1.00 0.00 C ATOM 13 OG SER A 186 13.182 8.684 9.840 1.00 0.00 O ATOM 0 H SER A 186 14.247 9.704 12.770 1.00 0.00 H new ATOM 0 HA SER A 186 14.690 11.529 10.526 1.00 0.00 H new ATOM 0 HB2 SER A 186 14.439 9.977 8.848 1.00 0.00 H new ATOM 0 HB3 SER A 186 15.216 8.937 10.025 1.00 0.00 H new ATOM 0 HG SER A 186 13.286 7.990 9.156 1.00 0.00 H new ATOM 19 N SER A 187 12.160 11.798 10.276 1.00 0.00 N ATOM 20 CA SER A 187 10.761 12.192 10.398 1.00 0.00 C ATOM 21 C SER A 187 10.189 12.592 9.041 1.00 0.00 C ATOM 22 O SER A 187 10.917 12.698 8.055 1.00 0.00 O ATOM 23 CB SER A 187 10.621 13.352 11.385 1.00 0.00 C ATOM 24 OG SER A 187 11.746 14.212 11.326 1.00 0.00 O ATOM 0 H SER A 187 12.651 12.225 9.491 1.00 0.00 H new ATOM 0 HA SER A 187 10.199 11.336 10.772 1.00 0.00 H new ATOM 0 HB2 SER A 187 9.716 13.917 11.161 1.00 0.00 H new ATOM 0 HB3 SER A 187 10.511 12.961 12.397 1.00 0.00 H new ATOM 0 HG SER A 187 11.631 14.946 11.965 1.00 0.00 H new ATOM 30 N GLY A 188 8.878 12.812 9.001 1.00 0.00 N ATOM 31 CA GLY A 188 8.229 13.198 7.761 1.00 0.00 C ATOM 32 C GLY A 188 7.409 12.072 7.162 1.00 0.00 C ATOM 33 O GLY A 188 6.765 11.312 7.884 1.00 0.00 O ATOM 0 H GLY A 188 8.254 12.730 9.804 1.00 0.00 H new ATOM 0 HA2 GLY A 188 7.583 14.056 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 188 8.985 13.516 7.042 1.00 0.00 H new ATOM 37 N SER A 189 7.432 11.967 5.837 1.00 0.00 N ATOM 38 CA SER A 189 6.681 10.929 5.140 1.00 0.00 C ATOM 39 C SER A 189 5.197 11.007 5.487 1.00 0.00 C ATOM 40 O SER A 189 4.728 10.338 6.408 1.00 0.00 O ATOM 41 CB SER A 189 7.228 9.546 5.498 1.00 0.00 C ATOM 42 OG SER A 189 6.342 8.523 5.077 1.00 0.00 O ATOM 0 H SER A 189 7.962 12.587 5.225 1.00 0.00 H new ATOM 0 HA SER A 189 6.795 11.090 4.068 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.202 9.404 5.029 1.00 0.00 H new ATOM 0 HB3 SER A 189 7.380 9.479 6.575 1.00 0.00 H new ATOM 0 HG SER A 189 6.715 7.649 5.316 1.00 0.00 H new ATOM 48 N SER A 190 4.464 11.829 4.743 1.00 0.00 N ATOM 49 CA SER A 190 3.034 11.998 4.974 1.00 0.00 C ATOM 50 C SER A 190 2.314 12.359 3.678 1.00 0.00 C ATOM 51 O SER A 190 2.922 12.868 2.738 1.00 0.00 O ATOM 52 CB SER A 190 2.790 13.082 6.026 1.00 0.00 C ATOM 53 OG SER A 190 3.956 13.316 6.797 1.00 0.00 O ATOM 0 H SER A 190 4.836 12.388 3.975 1.00 0.00 H new ATOM 0 HA SER A 190 2.635 11.052 5.339 1.00 0.00 H new ATOM 0 HB2 SER A 190 2.483 14.006 5.536 1.00 0.00 H new ATOM 0 HB3 SER A 190 1.972 12.781 6.680 1.00 0.00 H new ATOM 0 HG SER A 190 3.775 14.014 7.461 1.00 0.00 H new ATOM 59 N GLY A 191 1.012 12.092 3.637 1.00 0.00 N ATOM 60 CA GLY A 191 0.229 12.394 2.453 1.00 0.00 C ATOM 61 C GLY A 191 -1.096 11.659 2.431 1.00 0.00 C ATOM 62 O GLY A 191 -2.051 12.066 3.092 1.00 0.00 O ATOM 0 H GLY A 191 0.486 11.672 4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 191 0.046 13.468 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 191 0.803 12.129 1.565 1.00 0.00 H new ATOM 66 N GLY A 192 -1.156 10.573 1.666 1.00 0.00 N ATOM 67 CA GLY A 192 -2.380 9.798 1.573 1.00 0.00 C ATOM 68 C GLY A 192 -3.122 10.040 0.274 1.00 0.00 C ATOM 69 O GLY A 192 -3.804 11.053 0.121 1.00 0.00 O ATOM 0 H GLY A 192 -0.379 10.216 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -2.143 8.738 1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -3.030 10.049 2.411 1.00 0.00 H new ATOM 73 N GLU A 193 -2.987 9.109 -0.666 1.00 0.00 N ATOM 74 CA GLU A 193 -3.649 9.229 -1.959 1.00 0.00 C ATOM 75 C GLU A 193 -4.598 8.057 -2.196 1.00 0.00 C ATOM 76 O GLU A 193 -5.728 8.239 -2.648 1.00 0.00 O ATOM 77 CB GLU A 193 -2.613 9.295 -3.083 1.00 0.00 C ATOM 78 CG GLU A 193 -2.691 10.568 -3.909 1.00 0.00 C ATOM 79 CD GLU A 193 -1.384 10.891 -4.607 1.00 0.00 C ATOM 80 OE1 GLU A 193 -0.840 9.998 -5.289 1.00 0.00 O ATOM 81 OE2 GLU A 193 -0.906 12.037 -4.472 1.00 0.00 O ATOM 0 H GLU A 193 -2.426 8.265 -0.556 1.00 0.00 H new ATOM 0 HA GLU A 193 -4.231 10.151 -1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -1.615 9.213 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -2.748 8.436 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -3.481 10.466 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -2.968 11.400 -3.262 1.00 0.00 H new ATOM 88 N LYS A 194 -4.129 6.853 -1.887 1.00 0.00 N ATOM 89 CA LYS A 194 -4.933 5.650 -2.064 1.00 0.00 C ATOM 90 C LYS A 194 -5.395 5.101 -0.717 1.00 0.00 C ATOM 91 O LYS A 194 -4.771 5.328 0.320 1.00 0.00 O ATOM 92 CB LYS A 194 -4.134 4.582 -2.815 1.00 0.00 C ATOM 93 CG LYS A 194 -3.825 4.955 -4.254 1.00 0.00 C ATOM 94 CD LYS A 194 -5.060 4.853 -5.134 1.00 0.00 C ATOM 95 CE LYS A 194 -4.756 5.254 -6.569 1.00 0.00 C ATOM 96 NZ LYS A 194 -5.907 5.954 -7.205 1.00 0.00 N ATOM 0 H LYS A 194 -3.195 6.684 -1.512 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.813 5.915 -2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -3.198 4.401 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.693 3.646 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -3.433 5.972 -4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -3.046 4.299 -4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -5.440 3.831 -5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -5.846 5.494 -4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -3.881 5.904 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -4.506 4.366 -7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -5.660 6.211 -8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -6.735 5.325 -7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -6.130 6.815 -6.666 1.00 0.00 H new ATOM 110 N PRO A 195 -6.512 4.359 -0.732 1.00 0.00 N ATOM 111 CA PRO A 195 -7.080 3.760 0.480 1.00 0.00 C ATOM 112 C PRO A 195 -6.218 2.627 1.027 1.00 0.00 C ATOM 113 O PRO A 195 -6.272 2.311 2.215 1.00 0.00 O ATOM 114 CB PRO A 195 -8.433 3.222 0.009 1.00 0.00 C ATOM 115 CG PRO A 195 -8.260 2.987 -1.452 1.00 0.00 C ATOM 116 CD PRO A 195 -7.306 4.046 -1.931 1.00 0.00 C ATOM 0 HA PRO A 195 -7.152 4.481 1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -8.696 2.301 0.530 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -9.233 3.937 0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -7.864 1.990 -1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -9.214 3.056 -1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -6.678 3.683 -2.745 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -7.834 4.924 -2.303 1.00 0.00 H new ATOM 124 N TYR A 196 -5.423 2.021 0.152 1.00 0.00 N ATOM 125 CA TYR A 196 -4.550 0.922 0.547 1.00 0.00 C ATOM 126 C TYR A 196 -3.211 1.446 1.059 1.00 0.00 C ATOM 127 O TYR A 196 -2.330 1.799 0.275 1.00 0.00 O ATOM 128 CB TYR A 196 -4.322 -0.025 -0.632 1.00 0.00 C ATOM 129 CG TYR A 196 -5.578 -0.325 -1.419 1.00 0.00 C ATOM 130 CD1 TYR A 196 -6.424 -1.361 -1.045 1.00 0.00 C ATOM 131 CD2 TYR A 196 -5.917 0.427 -2.537 1.00 0.00 C ATOM 132 CE1 TYR A 196 -7.572 -1.639 -1.762 1.00 0.00 C ATOM 133 CE2 TYR A 196 -7.064 0.158 -3.258 1.00 0.00 C ATOM 134 CZ TYR A 196 -7.888 -0.877 -2.867 1.00 0.00 C ATOM 135 OH TYR A 196 -9.030 -1.150 -3.584 1.00 0.00 O ATOM 0 H TYR A 196 -5.365 2.272 -0.835 1.00 0.00 H new ATOM 0 HA TYR A 196 -5.039 0.376 1.354 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -3.580 0.412 -1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -3.904 -0.961 -0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -6.181 -1.959 -0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.272 1.236 -2.848 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.219 -2.449 -1.458 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -7.314 0.754 -4.123 1.00 0.00 H new ATOM 0 HH TYR A 196 -9.106 -0.520 -4.331 1.00 0.00 H new ATOM 145 N ARG A 197 -3.067 1.494 2.379 1.00 0.00 N ATOM 146 CA ARG A 197 -1.837 1.975 2.997 1.00 0.00 C ATOM 147 C ARG A 197 -1.405 1.055 4.135 1.00 0.00 C ATOM 148 O ARG A 197 -2.060 0.987 5.175 1.00 0.00 O ATOM 149 CB ARG A 197 -2.029 3.399 3.522 1.00 0.00 C ATOM 150 CG ARG A 197 -0.878 3.889 4.386 1.00 0.00 C ATOM 151 CD ARG A 197 -0.498 5.322 4.046 1.00 0.00 C ATOM 152 NE ARG A 197 0.576 5.383 3.057 1.00 0.00 N ATOM 153 CZ ARG A 197 1.222 6.500 2.743 1.00 0.00 C ATOM 154 NH1 ARG A 197 0.906 7.642 3.337 1.00 0.00 N ATOM 155 NH2 ARG A 197 2.187 6.475 1.833 1.00 0.00 N ATOM 0 H ARG A 197 -3.787 1.206 3.042 1.00 0.00 H new ATOM 0 HA ARG A 197 -1.055 1.977 2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -2.151 4.076 2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -2.951 3.443 4.101 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -1.158 3.825 5.438 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -0.014 3.239 4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -1.373 5.848 3.664 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -0.185 5.839 4.953 1.00 0.00 H new ATOM 0 HE ARG A 197 0.844 4.521 2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 197 0.165 7.665 4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 197 1.404 8.498 3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 197 2.433 5.598 1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 197 2.683 7.333 1.592 1.00 0.00 H new ATOM 169 N CYS A 198 -0.298 0.350 3.930 1.00 0.00 N ATOM 170 CA CYS A 198 0.223 -0.567 4.937 1.00 0.00 C ATOM 171 C CYS A 198 0.715 0.196 6.164 1.00 0.00 C ATOM 172 O CYS A 198 1.474 1.158 6.046 1.00 0.00 O ATOM 173 CB CYS A 198 1.362 -1.405 4.354 1.00 0.00 C ATOM 174 SG CYS A 198 1.771 -2.887 5.332 1.00 0.00 S ATOM 0 H CYS A 198 0.256 0.396 3.075 1.00 0.00 H new ATOM 0 HA CYS A 198 -0.587 -1.230 5.243 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.092 -1.713 3.344 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.252 -0.781 4.270 1.00 0.00 H new ATOM 179 N ASP A 199 0.277 -0.241 7.340 1.00 0.00 N ATOM 180 CA ASP A 199 0.673 0.399 8.589 1.00 0.00 C ATOM 181 C ASP A 199 1.907 -0.277 9.179 1.00 0.00 C ATOM 182 O ASP A 199 2.497 0.217 10.139 1.00 0.00 O ATOM 183 CB ASP A 199 -0.477 0.357 9.595 1.00 0.00 C ATOM 184 CG ASP A 199 -1.187 1.691 9.720 1.00 0.00 C ATOM 185 OD1 ASP A 199 -1.398 2.350 8.680 1.00 0.00 O ATOM 186 OD2 ASP A 199 -1.533 2.075 10.857 1.00 0.00 O ATOM 0 H ASP A 199 -0.352 -1.036 7.454 1.00 0.00 H new ATOM 0 HA ASP A 199 0.919 1.439 8.374 1.00 0.00 H new ATOM 0 HB2 ASP A 199 -1.194 -0.406 9.291 1.00 0.00 H new ATOM 0 HB3 ASP A 199 -0.092 0.061 10.571 1.00 0.00 H new ATOM 191 N GLN A 200 2.289 -1.410 8.598 1.00 0.00 N ATOM 192 CA GLN A 200 3.451 -2.155 9.068 1.00 0.00 C ATOM 193 C GLN A 200 4.745 -1.489 8.612 1.00 0.00 C ATOM 194 O GLN A 200 5.731 -1.456 9.348 1.00 0.00 O ATOM 195 CB GLN A 200 3.399 -3.597 8.559 1.00 0.00 C ATOM 196 CG GLN A 200 2.163 -4.357 9.013 1.00 0.00 C ATOM 197 CD GLN A 200 2.373 -5.079 10.330 1.00 0.00 C ATOM 198 OE1 GLN A 200 3.387 -4.887 11.002 1.00 0.00 O ATOM 199 NE2 GLN A 200 1.412 -5.915 10.707 1.00 0.00 N ATOM 0 H GLN A 200 1.811 -1.832 7.802 1.00 0.00 H new ATOM 0 HA GLN A 200 3.431 -2.161 10.158 1.00 0.00 H new ATOM 0 HB2 GLN A 200 3.432 -3.591 7.470 1.00 0.00 H new ATOM 0 HB3 GLN A 200 4.288 -4.127 8.902 1.00 0.00 H new ATOM 0 HG2 GLN A 200 1.330 -3.661 9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 200 1.884 -5.080 8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 200 0.588 -6.044 10.119 1.00 0.00 H new ATOM 0 HE22 GLN A 200 1.498 -6.428 11.584 1.00 0.00 H new ATOM 208 N CYS A 201 4.734 -0.959 7.393 1.00 0.00 N ATOM 209 CA CYS A 201 5.907 -0.295 6.837 1.00 0.00 C ATOM 210 C CYS A 201 5.604 1.167 6.519 1.00 0.00 C ATOM 211 O CYS A 201 6.475 2.029 6.622 1.00 0.00 O ATOM 212 CB CYS A 201 6.377 -1.017 5.573 1.00 0.00 C ATOM 213 SG CYS A 201 5.128 -1.086 4.248 1.00 0.00 S ATOM 0 H CYS A 201 3.925 -0.977 6.771 1.00 0.00 H new ATOM 0 HA CYS A 201 6.701 -0.330 7.583 1.00 0.00 H new ATOM 0 HB2 CYS A 201 7.268 -0.518 5.192 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.669 -2.034 5.836 1.00 0.00 H new ATOM 218 N GLY A 202 4.361 1.437 6.131 1.00 0.00 N ATOM 219 CA GLY A 202 3.964 2.794 5.804 1.00 0.00 C ATOM 220 C GLY A 202 4.052 3.081 4.318 1.00 0.00 C ATOM 221 O GLY A 202 4.646 4.077 3.904 1.00 0.00 O ATOM 0 H GLY A 202 3.622 0.740 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.942 2.962 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 202 4.599 3.496 6.345 1.00 0.00 H new ATOM 225 N LYS A 203 3.461 2.206 3.512 1.00 0.00 N ATOM 226 CA LYS A 203 3.474 2.369 2.063 1.00 0.00 C ATOM 227 C LYS A 203 2.069 2.636 1.533 1.00 0.00 C ATOM 228 O LYS A 203 1.109 2.708 2.300 1.00 0.00 O ATOM 229 CB LYS A 203 4.054 1.120 1.395 1.00 0.00 C ATOM 230 CG LYS A 203 5.494 1.287 0.942 1.00 0.00 C ATOM 231 CD LYS A 203 5.776 0.493 -0.323 1.00 0.00 C ATOM 232 CE LYS A 203 5.839 1.396 -1.545 1.00 0.00 C ATOM 233 NZ LYS A 203 7.200 1.418 -2.150 1.00 0.00 N ATOM 0 H LYS A 203 2.966 1.376 3.838 1.00 0.00 H new ATOM 0 HA LYS A 203 4.102 3.227 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.996 0.285 2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.439 0.860 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 203 5.700 2.342 0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 203 6.166 0.960 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 203 6.720 -0.042 -0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 203 4.998 -0.258 -0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 203 5.117 1.054 -2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 203 5.551 2.409 -1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 7.201 2.045 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.885 1.769 -1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 7.466 0.456 -2.442 1.00 0.00 H new ATOM 247 N ALA A 204 1.956 2.781 0.217 1.00 0.00 N ATOM 248 CA ALA A 204 0.668 3.036 -0.416 1.00 0.00 C ATOM 249 C ALA A 204 0.536 2.264 -1.724 1.00 0.00 C ATOM 250 O ALA A 204 1.489 2.166 -2.498 1.00 0.00 O ATOM 251 CB ALA A 204 0.486 4.527 -0.661 1.00 0.00 C ATOM 0 H ALA A 204 2.741 2.726 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.115 2.691 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.480 4.703 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.527 5.060 0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 204 1.281 4.888 -1.314 1.00 0.00 H new ATOM 257 N PHE A 205 -0.651 1.716 -1.966 1.00 0.00 N ATOM 258 CA PHE A 205 -0.907 0.950 -3.180 1.00 0.00 C ATOM 259 C PHE A 205 -2.182 1.430 -3.867 1.00 0.00 C ATOM 260 O PHE A 205 -3.111 1.904 -3.213 1.00 0.00 O ATOM 261 CB PHE A 205 -1.019 -0.540 -2.854 1.00 0.00 C ATOM 262 CG PHE A 205 0.075 -1.042 -1.956 1.00 0.00 C ATOM 263 CD1 PHE A 205 -0.032 -0.923 -0.579 1.00 0.00 C ATOM 264 CD2 PHE A 205 1.210 -1.632 -2.488 1.00 0.00 C ATOM 265 CE1 PHE A 205 0.973 -1.384 0.250 1.00 0.00 C ATOM 266 CE2 PHE A 205 2.218 -2.095 -1.663 1.00 0.00 C ATOM 267 CZ PHE A 205 2.100 -1.970 -0.293 1.00 0.00 C ATOM 0 H PHE A 205 -1.451 1.788 -1.337 1.00 0.00 H new ATOM 0 HA PHE A 205 -0.069 1.103 -3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -1.982 -0.728 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -1.005 -1.109 -3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -0.911 -0.465 -0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 205 1.308 -1.731 -3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 205 0.877 -1.286 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 205 3.097 -2.554 -2.090 1.00 0.00 H new ATOM 0 HZ PHE A 205 2.887 -2.330 0.353 1.00 0.00 H new ATOM 277 N SER A 206 -2.218 1.305 -5.190 1.00 0.00 N ATOM 278 CA SER A 206 -3.376 1.729 -5.967 1.00 0.00 C ATOM 279 C SER A 206 -4.468 0.663 -5.941 1.00 0.00 C ATOM 280 O SER A 206 -5.655 0.974 -6.035 1.00 0.00 O ATOM 281 CB SER A 206 -2.968 2.023 -7.412 1.00 0.00 C ATOM 282 OG SER A 206 -2.516 0.848 -8.063 1.00 0.00 O ATOM 0 H SER A 206 -1.458 0.913 -5.746 1.00 0.00 H new ATOM 0 HA SER A 206 -3.771 2.640 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 206 -3.816 2.440 -7.955 1.00 0.00 H new ATOM 0 HB3 SER A 206 -2.180 2.776 -7.425 1.00 0.00 H new ATOM 0 HG SER A 206 -2.263 1.062 -8.985 1.00 0.00 H new ATOM 288 N GLN A 207 -4.056 -0.594 -5.813 1.00 0.00 N ATOM 289 CA GLN A 207 -4.998 -1.706 -5.776 1.00 0.00 C ATOM 290 C GLN A 207 -4.825 -2.523 -4.500 1.00 0.00 C ATOM 291 O GLN A 207 -3.816 -2.404 -3.805 1.00 0.00 O ATOM 292 CB GLN A 207 -4.809 -2.603 -7.001 1.00 0.00 C ATOM 293 CG GLN A 207 -4.830 -1.846 -8.319 1.00 0.00 C ATOM 294 CD GLN A 207 -5.991 -2.250 -9.205 1.00 0.00 C ATOM 295 OE1 GLN A 207 -7.045 -1.613 -9.196 1.00 0.00 O ATOM 296 NE2 GLN A 207 -5.805 -3.314 -9.978 1.00 0.00 N ATOM 0 H GLN A 207 -3.077 -0.868 -5.733 1.00 0.00 H new ATOM 0 HA GLN A 207 -6.008 -1.295 -5.788 1.00 0.00 H new ATOM 0 HB2 GLN A 207 -3.860 -3.132 -6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 207 -5.595 -3.358 -7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 207 -4.886 -0.776 -8.118 1.00 0.00 H new ATOM 0 HG3 GLN A 207 -3.894 -2.022 -8.850 1.00 0.00 H new ATOM 0 HE21 GLN A 207 -4.915 -3.813 -9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 207 -6.552 -3.632 -10.596 1.00 0.00 H new ATOM 305 N LYS A 208 -5.816 -3.355 -4.197 1.00 0.00 N ATOM 306 CA LYS A 208 -5.775 -4.193 -3.006 1.00 0.00 C ATOM 307 C LYS A 208 -4.843 -5.384 -3.210 1.00 0.00 C ATOM 308 O LYS A 208 -3.932 -5.616 -2.417 1.00 0.00 O ATOM 309 CB LYS A 208 -7.180 -4.686 -2.655 1.00 0.00 C ATOM 310 CG LYS A 208 -7.391 -4.915 -1.168 1.00 0.00 C ATOM 311 CD LYS A 208 -6.439 -5.967 -0.625 1.00 0.00 C ATOM 312 CE LYS A 208 -6.764 -6.321 0.818 1.00 0.00 C ATOM 313 NZ LYS A 208 -6.871 -5.109 1.677 1.00 0.00 N ATOM 0 H LYS A 208 -6.658 -3.466 -4.761 1.00 0.00 H new ATOM 0 HA LYS A 208 -5.392 -3.591 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -7.910 -3.958 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -7.373 -5.617 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -7.244 -3.978 -0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.420 -5.227 -0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -6.495 -6.864 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -5.415 -5.600 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -7.702 -6.875 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -5.990 -6.979 1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -6.873 -5.392 2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -6.061 -4.482 1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -7.754 -4.605 1.458 1.00 0.00 H new ATOM 327 N GLY A 209 -5.078 -6.136 -4.282 1.00 0.00 N ATOM 328 CA GLY A 209 -4.251 -7.292 -4.572 1.00 0.00 C ATOM 329 C GLY A 209 -2.770 -6.985 -4.473 1.00 0.00 C ATOM 330 O GLY A 209 -2.009 -7.750 -3.880 1.00 0.00 O ATOM 0 H GLY A 209 -5.826 -5.965 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -4.499 -8.096 -3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -4.478 -7.655 -5.575 1.00 0.00 H new ATOM 334 N SER A 210 -2.359 -5.864 -5.056 1.00 0.00 N ATOM 335 CA SER A 210 -0.958 -5.460 -5.035 1.00 0.00 C ATOM 336 C SER A 210 -0.408 -5.479 -3.613 1.00 0.00 C ATOM 337 O SER A 210 0.738 -5.869 -3.382 1.00 0.00 O ATOM 338 CB SER A 210 -0.799 -4.062 -5.637 1.00 0.00 C ATOM 339 OG SER A 210 -1.701 -3.864 -6.712 1.00 0.00 O ATOM 0 H SER A 210 -2.976 -5.219 -5.549 1.00 0.00 H new ATOM 0 HA SER A 210 -0.391 -6.173 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 210 -0.974 -3.309 -4.868 1.00 0.00 H new ATOM 0 HB3 SER A 210 0.224 -3.928 -5.987 1.00 0.00 H new ATOM 0 HG SER A 210 -1.581 -2.963 -7.078 1.00 0.00 H new ATOM 345 N LEU A 211 -1.232 -5.055 -2.661 1.00 0.00 N ATOM 346 CA LEU A 211 -0.830 -5.023 -1.259 1.00 0.00 C ATOM 347 C LEU A 211 -0.753 -6.433 -0.682 1.00 0.00 C ATOM 348 O LEU A 211 0.075 -6.715 0.185 1.00 0.00 O ATOM 349 CB LEU A 211 -1.813 -4.179 -0.445 1.00 0.00 C ATOM 350 CG LEU A 211 -1.786 -4.392 1.069 1.00 0.00 C ATOM 351 CD1 LEU A 211 -0.425 -4.021 1.636 1.00 0.00 C ATOM 352 CD2 LEU A 211 -2.885 -3.580 1.740 1.00 0.00 C ATOM 0 H LEU A 211 -2.183 -4.729 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 211 0.161 -4.572 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.612 -3.127 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -2.822 -4.386 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 211 -1.965 -5.448 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.425 -4.179 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.342 -4.645 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -0.216 -2.973 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -2.852 -3.743 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -2.736 -2.521 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -3.855 -3.894 1.355 1.00 0.00 H new ATOM 364 N ILE A 212 -1.620 -7.314 -1.169 1.00 0.00 N ATOM 365 CA ILE A 212 -1.647 -8.695 -0.704 1.00 0.00 C ATOM 366 C ILE A 212 -0.315 -9.390 -0.967 1.00 0.00 C ATOM 367 O ILE A 212 0.090 -10.281 -0.220 1.00 0.00 O ATOM 368 CB ILE A 212 -2.774 -9.496 -1.384 1.00 0.00 C ATOM 369 CG1 ILE A 212 -4.097 -8.734 -1.292 1.00 0.00 C ATOM 370 CG2 ILE A 212 -2.903 -10.872 -0.748 1.00 0.00 C ATOM 371 CD1 ILE A 212 -5.278 -9.506 -1.838 1.00 0.00 C ATOM 0 H ILE A 212 -2.313 -7.096 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 212 -1.832 -8.663 0.370 1.00 0.00 H new ATOM 0 HB ILE A 212 -2.524 -9.626 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -4.289 -8.481 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -4.004 -7.794 -1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -3.703 -11.426 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -1.964 -11.414 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.134 -10.763 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -6.182 -8.905 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 212 -5.107 -9.736 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -5.397 -10.434 -1.278 1.00 0.00 H new ATOM 383 N VAL A 213 0.363 -8.975 -2.032 1.00 0.00 N ATOM 384 CA VAL A 213 1.651 -9.555 -2.392 1.00 0.00 C ATOM 385 C VAL A 213 2.779 -8.943 -1.569 1.00 0.00 C ATOM 386 O VAL A 213 3.908 -9.434 -1.581 1.00 0.00 O ATOM 387 CB VAL A 213 1.957 -9.359 -3.889 1.00 0.00 C ATOM 388 CG1 VAL A 213 3.194 -10.148 -4.289 1.00 0.00 C ATOM 389 CG2 VAL A 213 0.759 -9.763 -4.734 1.00 0.00 C ATOM 0 H VAL A 213 0.042 -8.239 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 213 1.588 -10.622 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 213 2.158 -8.302 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 213 3.394 -9.997 -5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 213 4.049 -9.805 -3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 213 3.027 -11.208 -4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 213 0.992 -9.618 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 213 0.525 -10.812 -4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -0.100 -9.148 -4.465 1.00 0.00 H new ATOM 399 N HIS A 214 2.465 -7.867 -0.854 1.00 0.00 N ATOM 400 CA HIS A 214 3.453 -7.187 -0.023 1.00 0.00 C ATOM 401 C HIS A 214 3.407 -7.707 1.411 1.00 0.00 C ATOM 402 O HIS A 214 4.430 -7.763 2.093 1.00 0.00 O ATOM 403 CB HIS A 214 3.210 -5.677 -0.039 1.00 0.00 C ATOM 404 CG HIS A 214 3.712 -4.978 1.187 1.00 0.00 C ATOM 405 ND1 HIS A 214 5.028 -4.602 1.354 1.00 0.00 N ATOM 406 CD2 HIS A 214 3.064 -4.583 2.308 1.00 0.00 C ATOM 407 CE1 HIS A 214 5.169 -4.009 2.526 1.00 0.00 C ATOM 408 NE2 HIS A 214 3.992 -3.985 3.125 1.00 0.00 N ATOM 0 H HIS A 214 1.535 -7.448 -0.833 1.00 0.00 H new ATOM 0 HA HIS A 214 4.442 -7.393 -0.434 1.00 0.00 H new ATOM 0 HB2 HIS A 214 3.695 -5.248 -0.916 1.00 0.00 H new ATOM 0 HB3 HIS A 214 2.141 -5.490 -0.142 1.00 0.00 H new ATOM 0 HD1 HIS A 214 5.776 -4.757 0.678 1.00 0.00 H new ATOM 0 HD2 HIS A 214 2.013 -4.714 2.520 1.00 0.00 H new ATOM 0 HE1 HIS A 214 6.090 -3.611 2.926 1.00 0.00 H new ATOM 416 N ILE A 215 2.215 -8.084 1.860 1.00 0.00 N ATOM 417 CA ILE A 215 2.037 -8.599 3.212 1.00 0.00 C ATOM 418 C ILE A 215 2.935 -9.806 3.464 1.00 0.00 C ATOM 419 O ILE A 215 3.236 -10.140 4.609 1.00 0.00 O ATOM 420 CB ILE A 215 0.573 -8.999 3.474 1.00 0.00 C ATOM 421 CG1 ILE A 215 -0.351 -7.796 3.275 1.00 0.00 C ATOM 422 CG2 ILE A 215 0.421 -9.564 4.878 1.00 0.00 C ATOM 423 CD1 ILE A 215 -1.801 -8.175 3.068 1.00 0.00 C ATOM 0 H ILE A 215 1.358 -8.043 1.308 1.00 0.00 H new ATOM 0 HA ILE A 215 2.313 -7.795 3.894 1.00 0.00 H new ATOM 0 HB ILE A 215 0.290 -9.772 2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.275 -7.142 4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 215 -0.007 -7.223 2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -0.619 -9.842 5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 215 1.054 -10.445 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 215 0.719 -8.811 5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -2.397 -7.273 2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -1.890 -8.804 2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -2.162 -8.722 3.939 1.00 0.00 H new ATOM 435 N ARG A 216 3.360 -10.455 2.385 1.00 0.00 N ATOM 436 CA ARG A 216 4.225 -11.624 2.488 1.00 0.00 C ATOM 437 C ARG A 216 5.478 -11.304 3.297 1.00 0.00 C ATOM 438 O ARG A 216 6.084 -12.190 3.900 1.00 0.00 O ATOM 439 CB ARG A 216 4.617 -12.119 1.095 1.00 0.00 C ATOM 440 CG ARG A 216 3.427 -12.431 0.202 1.00 0.00 C ATOM 441 CD ARG A 216 3.857 -12.664 -1.238 1.00 0.00 C ATOM 442 NE ARG A 216 4.296 -14.039 -1.462 1.00 0.00 N ATOM 443 CZ ARG A 216 4.796 -14.473 -2.614 1.00 0.00 C ATOM 444 NH1 ARG A 216 4.921 -13.642 -3.640 1.00 0.00 N ATOM 445 NH2 ARG A 216 5.173 -15.739 -2.741 1.00 0.00 N ATOM 0 H ARG A 216 3.119 -10.191 1.430 1.00 0.00 H new ATOM 0 HA ARG A 216 3.672 -12.409 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 216 5.235 -11.363 0.611 1.00 0.00 H new ATOM 0 HB3 ARG A 216 5.229 -13.015 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 216 2.912 -13.315 0.577 1.00 0.00 H new ATOM 0 HG3 ARG A 216 2.715 -11.607 0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 216 3.027 -12.435 -1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 216 4.667 -11.979 -1.490 1.00 0.00 H new ATOM 0 HE ARG A 216 4.214 -14.703 -0.692 1.00 0.00 H new ATOM 0 HH11 ARG A 216 4.633 -12.668 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 216 5.305 -13.977 -4.524 1.00 0.00 H new ATOM 0 HH21 ARG A 216 5.079 -16.381 -1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 216 5.557 -16.071 -3.626 1.00 0.00 H new ATOM 459 N VAL A 217 5.862 -10.031 3.306 1.00 0.00 N ATOM 460 CA VAL A 217 7.042 -9.593 4.041 1.00 0.00 C ATOM 461 C VAL A 217 6.721 -9.371 5.515 1.00 0.00 C ATOM 462 O VAL A 217 7.596 -9.479 6.375 1.00 0.00 O ATOM 463 CB VAL A 217 7.620 -8.293 3.451 1.00 0.00 C ATOM 464 CG1 VAL A 217 7.837 -8.436 1.953 1.00 0.00 C ATOM 465 CG2 VAL A 217 6.705 -7.117 3.756 1.00 0.00 C ATOM 0 H VAL A 217 5.372 -9.285 2.812 1.00 0.00 H new ATOM 0 HA VAL A 217 7.784 -10.386 3.950 1.00 0.00 H new ATOM 0 HB VAL A 217 8.587 -8.102 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 217 8.246 -7.508 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 217 8.535 -9.251 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 217 6.886 -8.652 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 217 7.129 -6.207 3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 217 5.723 -7.298 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 217 6.607 -7.003 4.836 1.00 0.00 H new ATOM 475 N HIS A 218 5.460 -9.061 5.800 1.00 0.00 N ATOM 476 CA HIS A 218 5.022 -8.825 7.171 1.00 0.00 C ATOM 477 C HIS A 218 4.402 -10.085 7.767 1.00 0.00 C ATOM 478 O HIS A 218 5.014 -10.760 8.596 1.00 0.00 O ATOM 479 CB HIS A 218 4.015 -7.676 7.216 1.00 0.00 C ATOM 480 CG HIS A 218 4.593 -6.356 6.808 1.00 0.00 C ATOM 481 ND1 HIS A 218 5.643 -5.757 7.472 1.00 0.00 N ATOM 482 CD2 HIS A 218 4.264 -5.520 5.796 1.00 0.00 C ATOM 483 CE1 HIS A 218 5.933 -4.608 6.887 1.00 0.00 C ATOM 484 NE2 HIS A 218 5.111 -4.441 5.866 1.00 0.00 N ATOM 0 H HIS A 218 4.724 -8.967 5.100 1.00 0.00 H new ATOM 0 HA HIS A 218 5.895 -8.555 7.765 1.00 0.00 H new ATOM 0 HB2 HIS A 218 3.176 -7.914 6.562 1.00 0.00 H new ATOM 0 HB3 HIS A 218 3.617 -7.592 8.227 1.00 0.00 H new ATOM 0 HD1 HIS A 218 6.121 -6.141 8.287 1.00 0.00 H new ATOM 0 HD2 HIS A 218 3.481 -5.673 5.068 1.00 0.00 H new ATOM 0 HE1 HIS A 218 6.710 -3.922 7.192 1.00 0.00 H new ATOM 492 N THR A 219 3.181 -10.396 7.342 1.00 0.00 N ATOM 493 CA THR A 219 2.477 -11.573 7.836 1.00 0.00 C ATOM 494 C THR A 219 2.508 -12.702 6.812 1.00 0.00 C ATOM 495 O THR A 219 2.570 -12.459 5.607 1.00 0.00 O ATOM 496 CB THR A 219 1.011 -11.247 8.179 1.00 0.00 C ATOM 497 OG1 THR A 219 0.897 -9.881 8.592 1.00 0.00 O ATOM 498 CG2 THR A 219 0.499 -12.160 9.283 1.00 0.00 C ATOM 0 H THR A 219 2.659 -9.849 6.657 1.00 0.00 H new ATOM 0 HA THR A 219 2.992 -11.893 8.742 1.00 0.00 H new ATOM 0 HB THR A 219 0.407 -11.408 7.286 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.038 -9.681 8.807 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.538 -11.912 9.509 1.00 0.00 H new ATOM 0 HG22 THR A 219 0.561 -13.198 8.955 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.107 -12.026 10.178 1.00 0.00 H new ATOM 506 N GLY A 220 2.464 -13.938 7.299 1.00 0.00 N ATOM 507 CA GLY A 220 2.488 -15.087 6.412 1.00 0.00 C ATOM 508 C GLY A 220 1.442 -14.996 5.318 1.00 0.00 C ATOM 509 O GLY A 220 0.258 -15.227 5.562 1.00 0.00 O ATOM 0 H GLY A 220 2.412 -14.165 8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 220 3.476 -15.173 5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.324 -15.994 6.993 1.00 0.00 H new ATOM 513 N SER A 221 1.880 -14.658 4.110 1.00 0.00 N ATOM 514 CA SER A 221 0.972 -14.531 2.976 1.00 0.00 C ATOM 515 C SER A 221 1.432 -15.403 1.812 1.00 0.00 C ATOM 516 O SER A 221 1.124 -15.126 0.653 1.00 0.00 O ATOM 517 CB SER A 221 0.880 -13.071 2.529 1.00 0.00 C ATOM 518 OG SER A 221 -0.449 -12.589 2.633 1.00 0.00 O ATOM 0 H SER A 221 2.858 -14.467 3.891 1.00 0.00 H new ATOM 0 HA SER A 221 -0.015 -14.869 3.293 1.00 0.00 H new ATOM 0 HB2 SER A 221 1.542 -12.458 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 221 1.224 -12.980 1.499 1.00 0.00 H new ATOM 0 HG SER A 221 -0.514 -11.713 2.198 1.00 0.00 H new ATOM 524 N GLY A 222 2.175 -16.460 2.129 1.00 0.00 N ATOM 525 CA GLY A 222 2.667 -17.356 1.099 1.00 0.00 C ATOM 526 C GLY A 222 3.406 -18.549 1.674 1.00 0.00 C ATOM 527 O GLY A 222 3.764 -18.576 2.852 1.00 0.00 O ATOM 0 H GLY A 222 2.444 -16.711 3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 222 1.829 -17.707 0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 222 3.332 -16.808 0.432 1.00 0.00 H new ATOM 531 N PRO A 223 3.643 -19.565 0.832 1.00 0.00 N ATOM 532 CA PRO A 223 4.345 -20.785 1.241 1.00 0.00 C ATOM 533 C PRO A 223 5.825 -20.538 1.515 1.00 0.00 C ATOM 534 O PRO A 223 6.285 -19.397 1.505 1.00 0.00 O ATOM 535 CB PRO A 223 4.172 -21.715 0.037 1.00 0.00 C ATOM 536 CG PRO A 223 3.977 -20.800 -1.123 1.00 0.00 C ATOM 537 CD PRO A 223 3.245 -19.601 -0.586 1.00 0.00 C ATOM 0 HA PRO A 223 3.948 -21.191 2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 223 5.047 -22.350 -0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 223 3.316 -22.377 0.168 1.00 0.00 H new ATOM 0 HG2 PRO A 223 4.934 -20.511 -1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 223 3.403 -21.287 -1.912 1.00 0.00 H new ATOM 0 HD2 PRO A 223 3.533 -18.688 -1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 223 2.166 -19.706 -0.698 1.00 0.00 H new ATOM 545 N SER A 224 6.564 -21.615 1.759 1.00 0.00 N ATOM 546 CA SER A 224 7.992 -21.515 2.040 1.00 0.00 C ATOM 547 C SER A 224 8.253 -20.545 3.188 1.00 0.00 C ATOM 548 O SER A 224 9.314 -19.925 3.262 1.00 0.00 O ATOM 549 CB SER A 224 8.748 -21.060 0.790 1.00 0.00 C ATOM 550 OG SER A 224 8.726 -22.061 -0.212 1.00 0.00 O ATOM 0 H SER A 224 6.198 -22.567 1.768 1.00 0.00 H new ATOM 0 HA SER A 224 8.350 -22.502 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 224 8.300 -20.144 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 224 9.780 -20.825 1.051 1.00 0.00 H new ATOM 0 HG SER A 224 9.214 -21.745 -1.001 1.00 0.00 H new ATOM 556 N SER A 225 7.276 -20.417 4.080 1.00 0.00 N ATOM 557 CA SER A 225 7.398 -19.520 5.223 1.00 0.00 C ATOM 558 C SER A 225 8.662 -19.824 6.021 1.00 0.00 C ATOM 559 O SER A 225 9.102 -20.971 6.095 1.00 0.00 O ATOM 560 CB SER A 225 6.169 -19.641 6.127 1.00 0.00 C ATOM 561 OG SER A 225 5.171 -18.704 5.760 1.00 0.00 O ATOM 0 H SER A 225 6.392 -20.923 4.033 1.00 0.00 H new ATOM 0 HA SER A 225 7.464 -18.499 4.846 1.00 0.00 H new ATOM 0 HB2 SER A 225 5.765 -20.651 6.063 1.00 0.00 H new ATOM 0 HB3 SER A 225 6.460 -19.479 7.165 1.00 0.00 H new ATOM 0 HG SER A 225 4.923 -18.840 4.822 1.00 0.00 H new ATOM 567 N GLY A 226 9.241 -18.787 6.618 1.00 0.00 N ATOM 568 CA GLY A 226 10.449 -18.963 7.403 1.00 0.00 C ATOM 569 C GLY A 226 10.204 -18.796 8.890 1.00 0.00 C ATOM 570 O GLY A 226 11.153 -18.531 9.627 1.00 0.00 O ATOM 0 H GLY A 226 8.895 -17.828 6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 226 10.860 -19.955 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 226 11.198 -18.241 7.078 1.00 0.00 H new TER 574 GLY A 226 HETATM 575 ZN ZN A 301 4.053 -3.148 4.821 1.00 0.00 ZN