USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=13 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 200 GLN : amide:sc= -1.05 K(o=-1.1,f=-1.7!) USER MOD Set 1.2: A 219 THR OG1 : rot 180:sc= 0 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 -64:sc= 0.6 USER MOD Single : A 190 SER OG : rot 30:sc= 0.123 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 203 LYS NZ :NH3+ -162:sc=-0.00566 (180deg=-0.238) USER MOD Single : A 206 SER OG : rot 180:sc= -0.524 USER MOD Single : A 207 GLN : amide:sc= -0.56 K(o=-0.56,f=-3.9) USER MOD Single : A 208 LYS NZ :NH3+ 148:sc= -0.181 (180deg=-0.842) USER MOD Single : A 210 SER OG : rot -150:sc= -0.776 USER MOD Single : A 221 SER OG : rot 177:sc= 0.507 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 SER OG : rot 60:sc= 0.35 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 185 12.810 9.383 14.361 1.00 0.00 N ATOM 2 CA GLY A 185 13.164 9.777 13.010 1.00 0.00 C ATOM 3 C GLY A 185 11.997 9.666 12.049 1.00 0.00 C ATOM 4 O GLY A 185 12.099 9.013 11.010 1.00 0.00 O ATOM 0 HA2 GLY A 185 13.528 10.805 13.018 1.00 0.00 H new ATOM 0 HA3 GLY A 185 13.983 9.152 12.655 1.00 0.00 H new ATOM 8 N SER A 186 10.884 10.304 12.396 1.00 0.00 N ATOM 9 CA SER A 186 9.691 10.269 11.558 1.00 0.00 C ATOM 10 C SER A 186 9.804 11.267 10.410 1.00 0.00 C ATOM 11 O SER A 186 9.255 12.367 10.472 1.00 0.00 O ATOM 12 CB SER A 186 8.446 10.576 12.394 1.00 0.00 C ATOM 13 OG SER A 186 7.293 10.672 11.576 1.00 0.00 O ATOM 0 H SER A 186 10.783 10.851 13.251 1.00 0.00 H new ATOM 0 HA SER A 186 9.601 9.267 11.138 1.00 0.00 H new ATOM 0 HB2 SER A 186 8.303 9.794 13.139 1.00 0.00 H new ATOM 0 HB3 SER A 186 8.590 11.511 12.936 1.00 0.00 H new ATOM 0 HG SER A 186 6.511 10.867 12.134 1.00 0.00 H new ATOM 19 N SER A 187 10.520 10.875 9.361 1.00 0.00 N ATOM 20 CA SER A 187 10.710 11.735 8.200 1.00 0.00 C ATOM 21 C SER A 187 10.596 10.934 6.906 1.00 0.00 C ATOM 22 O SER A 187 11.530 10.237 6.511 1.00 0.00 O ATOM 23 CB SER A 187 12.073 12.426 8.267 1.00 0.00 C ATOM 24 OG SER A 187 12.213 13.381 7.230 1.00 0.00 O ATOM 0 H SER A 187 10.978 9.966 9.292 1.00 0.00 H new ATOM 0 HA SER A 187 9.926 12.493 8.208 1.00 0.00 H new ATOM 0 HB2 SER A 187 12.189 12.915 9.234 1.00 0.00 H new ATOM 0 HB3 SER A 187 12.866 11.682 8.189 1.00 0.00 H new ATOM 0 HG SER A 187 13.092 13.809 7.296 1.00 0.00 H new ATOM 30 N GLY A 188 9.444 11.040 6.251 1.00 0.00 N ATOM 31 CA GLY A 188 9.229 10.321 5.009 1.00 0.00 C ATOM 32 C GLY A 188 7.798 10.425 4.520 1.00 0.00 C ATOM 33 O GLY A 188 7.238 9.456 4.007 1.00 0.00 O ATOM 0 H GLY A 188 8.656 11.611 6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 188 9.900 10.713 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 188 9.486 9.271 5.151 1.00 0.00 H new ATOM 37 N SER A 189 7.204 11.603 4.680 1.00 0.00 N ATOM 38 CA SER A 189 5.827 11.829 4.255 1.00 0.00 C ATOM 39 C SER A 189 5.757 12.091 2.754 1.00 0.00 C ATOM 40 O SER A 189 5.901 13.227 2.303 1.00 0.00 O ATOM 41 CB SER A 189 5.222 13.009 5.019 1.00 0.00 C ATOM 42 OG SER A 189 4.222 13.655 4.250 1.00 0.00 O ATOM 0 H SER A 189 7.654 12.416 5.101 1.00 0.00 H new ATOM 0 HA SER A 189 5.253 10.929 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 189 4.793 12.657 5.957 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.006 13.722 5.274 1.00 0.00 H new ATOM 0 HG SER A 189 4.628 14.045 3.448 1.00 0.00 H new ATOM 48 N SER A 190 5.535 11.030 1.984 1.00 0.00 N ATOM 49 CA SER A 190 5.450 11.143 0.533 1.00 0.00 C ATOM 50 C SER A 190 4.520 10.078 -0.041 1.00 0.00 C ATOM 51 O SER A 190 4.348 9.008 0.542 1.00 0.00 O ATOM 52 CB SER A 190 6.840 11.013 -0.092 1.00 0.00 C ATOM 53 OG SER A 190 7.473 12.277 -0.195 1.00 0.00 O ATOM 0 H SER A 190 5.411 10.083 2.341 1.00 0.00 H new ATOM 0 HA SER A 190 5.042 12.125 0.293 1.00 0.00 H new ATOM 0 HB2 SER A 190 7.453 10.344 0.512 1.00 0.00 H new ATOM 0 HB3 SER A 190 6.757 10.563 -1.081 1.00 0.00 H new ATOM 0 HG SER A 190 7.154 12.862 0.524 1.00 0.00 H new ATOM 59 N GLY A 191 3.923 10.379 -1.190 1.00 0.00 N ATOM 60 CA GLY A 191 3.018 9.439 -1.825 1.00 0.00 C ATOM 61 C GLY A 191 1.938 8.947 -0.882 1.00 0.00 C ATOM 62 O GLY A 191 2.084 7.900 -0.252 1.00 0.00 O ATOM 0 H GLY A 191 4.050 11.257 -1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 191 2.553 9.914 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 191 3.587 8.587 -2.197 1.00 0.00 H new ATOM 66 N GLY A 192 0.850 9.705 -0.784 1.00 0.00 N ATOM 67 CA GLY A 192 -0.242 9.325 0.093 1.00 0.00 C ATOM 68 C GLY A 192 -1.574 9.886 -0.364 1.00 0.00 C ATOM 69 O GLY A 192 -1.755 11.101 -0.425 1.00 0.00 O ATOM 0 H GLY A 192 0.705 10.575 -1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -0.306 8.238 0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -0.031 9.675 1.104 1.00 0.00 H new ATOM 73 N GLU A 193 -2.508 8.997 -0.688 1.00 0.00 N ATOM 74 CA GLU A 193 -3.830 9.411 -1.145 1.00 0.00 C ATOM 75 C GLU A 193 -4.743 8.203 -1.334 1.00 0.00 C ATOM 76 O GLU A 193 -5.942 8.268 -1.060 1.00 0.00 O ATOM 77 CB GLU A 193 -3.719 10.191 -2.457 1.00 0.00 C ATOM 78 CG GLU A 193 -2.741 9.581 -3.447 1.00 0.00 C ATOM 79 CD GLU A 193 -3.193 9.738 -4.885 1.00 0.00 C ATOM 80 OE1 GLU A 193 -4.132 10.524 -5.129 1.00 0.00 O ATOM 81 OE2 GLU A 193 -2.608 9.076 -5.767 1.00 0.00 O ATOM 0 H GLU A 193 -2.374 7.987 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 193 -4.265 10.057 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -4.704 10.248 -2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.410 11.213 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -1.765 10.050 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -2.616 8.522 -3.223 1.00 0.00 H new ATOM 88 N LYS A 194 -4.168 7.102 -1.805 1.00 0.00 N ATOM 89 CA LYS A 194 -4.928 5.878 -2.031 1.00 0.00 C ATOM 90 C LYS A 194 -5.385 5.270 -0.709 1.00 0.00 C ATOM 91 O LYS A 194 -4.786 5.490 0.344 1.00 0.00 O ATOM 92 CB LYS A 194 -4.082 4.864 -2.805 1.00 0.00 C ATOM 93 CG LYS A 194 -4.004 5.149 -4.295 1.00 0.00 C ATOM 94 CD LYS A 194 -3.158 6.378 -4.584 1.00 0.00 C ATOM 95 CE LYS A 194 -2.304 6.186 -5.828 1.00 0.00 C ATOM 96 NZ LYS A 194 -0.861 6.431 -5.553 1.00 0.00 N ATOM 0 H LYS A 194 -3.177 7.032 -2.038 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.810 6.131 -2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -3.073 4.854 -2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.497 3.867 -2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -3.582 4.286 -4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -5.009 5.296 -4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -3.806 7.244 -4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -2.515 6.588 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -2.435 5.172 -6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -2.645 6.864 -6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -0.313 6.290 -6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -0.732 7.407 -5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -0.529 5.767 -4.824 1.00 0.00 H new ATOM 110 N PRO A 195 -6.472 4.485 -0.762 1.00 0.00 N ATOM 111 CA PRO A 195 -7.032 3.827 0.422 1.00 0.00 C ATOM 112 C PRO A 195 -6.133 2.714 0.947 1.00 0.00 C ATOM 113 O PRO A 195 -6.150 2.398 2.137 1.00 0.00 O ATOM 114 CB PRO A 195 -8.356 3.251 -0.086 1.00 0.00 C ATOM 115 CG PRO A 195 -8.153 3.068 -1.550 1.00 0.00 C ATOM 116 CD PRO A 195 -7.236 4.178 -1.983 1.00 0.00 C ATOM 0 HA PRO A 195 -7.144 4.518 1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -8.589 2.305 0.403 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -9.186 3.928 0.117 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -7.714 2.093 -1.764 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -9.102 3.115 -2.084 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -6.583 3.865 -2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -7.794 5.045 -2.337 1.00 0.00 H new ATOM 124 N TYR A 196 -5.348 2.122 0.053 1.00 0.00 N ATOM 125 CA TYR A 196 -4.443 1.042 0.426 1.00 0.00 C ATOM 126 C TYR A 196 -3.130 1.596 0.972 1.00 0.00 C ATOM 127 O TYR A 196 -2.287 2.082 0.218 1.00 0.00 O ATOM 128 CB TYR A 196 -4.167 0.140 -0.778 1.00 0.00 C ATOM 129 CG TYR A 196 -5.401 -0.177 -1.592 1.00 0.00 C ATOM 130 CD1 TYR A 196 -6.202 -1.269 -1.279 1.00 0.00 C ATOM 131 CD2 TYR A 196 -5.767 0.615 -2.673 1.00 0.00 C ATOM 132 CE1 TYR A 196 -7.330 -1.563 -2.021 1.00 0.00 C ATOM 133 CE2 TYR A 196 -6.894 0.330 -3.419 1.00 0.00 C ATOM 134 CZ TYR A 196 -7.672 -0.761 -3.090 1.00 0.00 C ATOM 135 OH TYR A 196 -8.796 -1.049 -3.830 1.00 0.00 O ATOM 0 H TYR A 196 -5.321 2.372 -0.935 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.923 0.455 1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -3.431 0.622 -1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -3.723 -0.792 -0.429 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -5.938 -1.898 -0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.160 1.469 -2.935 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -7.941 -2.416 -1.765 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -7.165 0.958 -4.255 1.00 0.00 H new ATOM 0 HH TYR A 196 -8.895 -0.387 -4.546 1.00 0.00 H new ATOM 145 N ARG A 197 -2.965 1.517 2.288 1.00 0.00 N ATOM 146 CA ARG A 197 -1.756 2.010 2.937 1.00 0.00 C ATOM 147 C ARG A 197 -1.349 1.100 4.092 1.00 0.00 C ATOM 148 O ARG A 197 -1.983 1.098 5.148 1.00 0.00 O ATOM 149 CB ARG A 197 -1.971 3.436 3.448 1.00 0.00 C ATOM 150 CG ARG A 197 -0.767 4.010 4.176 1.00 0.00 C ATOM 151 CD ARG A 197 -1.162 4.621 5.512 1.00 0.00 C ATOM 152 NE ARG A 197 -0.112 5.479 6.054 1.00 0.00 N ATOM 153 CZ ARG A 197 0.109 6.722 5.640 1.00 0.00 C ATOM 154 NH1 ARG A 197 -0.644 7.249 4.685 1.00 0.00 N ATOM 155 NH2 ARG A 197 1.084 7.439 6.182 1.00 0.00 N ATOM 0 H ARG A 197 -3.653 1.116 2.926 1.00 0.00 H new ATOM 0 HA ARG A 197 -0.953 2.013 2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -2.217 4.082 2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -2.830 3.447 4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -0.030 3.224 4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -0.292 4.769 3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -2.076 5.201 5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -1.383 3.825 6.223 1.00 0.00 H new ATOM 0 HE ARG A 197 0.485 5.103 6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -1.395 6.700 4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -0.473 8.203 4.369 1.00 0.00 H new ATOM 0 HH21 ARG A 197 1.665 7.036 6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 197 1.253 8.393 5.864 1.00 0.00 H new ATOM 169 N CYS A 198 -0.288 0.328 3.885 1.00 0.00 N ATOM 170 CA CYS A 198 0.204 -0.588 4.907 1.00 0.00 C ATOM 171 C CYS A 198 0.679 0.177 6.139 1.00 0.00 C ATOM 172 O CYS A 198 1.463 1.120 6.033 1.00 0.00 O ATOM 173 CB CYS A 198 1.347 -1.440 4.351 1.00 0.00 C ATOM 174 SG CYS A 198 1.728 -2.915 5.349 1.00 0.00 S ATOM 0 H CYS A 198 0.248 0.318 3.017 1.00 0.00 H new ATOM 0 HA CYS A 198 -0.618 -1.241 5.200 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.092 -1.755 3.339 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.243 -0.823 4.277 1.00 0.00 H new ATOM 179 N ASP A 199 0.198 -0.236 7.307 1.00 0.00 N ATOM 180 CA ASP A 199 0.574 0.408 8.560 1.00 0.00 C ATOM 181 C ASP A 199 1.795 -0.269 9.174 1.00 0.00 C ATOM 182 O ASP A 199 2.371 0.229 10.141 1.00 0.00 O ATOM 183 CB ASP A 199 -0.594 0.373 9.546 1.00 0.00 C ATOM 184 CG ASP A 199 -1.230 -0.999 9.642 1.00 0.00 C ATOM 185 OD1 ASP A 199 -0.723 -1.835 10.418 1.00 0.00 O ATOM 186 OD2 ASP A 199 -2.235 -1.238 8.939 1.00 0.00 O ATOM 0 H ASP A 199 -0.453 -1.014 7.412 1.00 0.00 H new ATOM 0 HA ASP A 199 0.827 1.446 8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 199 -0.242 0.677 10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 199 -1.347 1.099 9.238 1.00 0.00 H new ATOM 191 N GLN A 200 2.183 -1.406 8.607 1.00 0.00 N ATOM 192 CA GLN A 200 3.335 -2.152 9.100 1.00 0.00 C ATOM 193 C GLN A 200 4.639 -1.493 8.662 1.00 0.00 C ATOM 194 O GLN A 200 5.617 -1.470 9.410 1.00 0.00 O ATOM 195 CB GLN A 200 3.287 -3.596 8.600 1.00 0.00 C ATOM 196 CG GLN A 200 2.024 -4.339 9.006 1.00 0.00 C ATOM 197 CD GLN A 200 2.307 -5.740 9.511 1.00 0.00 C ATOM 198 OE1 GLN A 200 1.722 -6.714 9.035 1.00 0.00 O ATOM 199 NE2 GLN A 200 3.209 -5.849 10.479 1.00 0.00 N ATOM 0 H GLN A 200 1.717 -1.831 7.806 1.00 0.00 H new ATOM 0 HA GLN A 200 3.297 -2.151 10.189 1.00 0.00 H new ATOM 0 HB2 GLN A 200 3.366 -3.598 7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 200 4.154 -4.134 8.984 1.00 0.00 H new ATOM 0 HG2 GLN A 200 1.509 -3.774 9.783 1.00 0.00 H new ATOM 0 HG3 GLN A 200 1.349 -4.394 8.152 1.00 0.00 H new ATOM 0 HE21 GLN A 200 3.669 -5.015 10.844 1.00 0.00 H new ATOM 0 HE22 GLN A 200 3.442 -6.767 10.858 1.00 0.00 H new ATOM 208 N CYS A 201 4.646 -0.957 7.446 1.00 0.00 N ATOM 209 CA CYS A 201 5.829 -0.298 6.907 1.00 0.00 C ATOM 210 C CYS A 201 5.533 1.161 6.571 1.00 0.00 C ATOM 211 O CYS A 201 6.403 2.024 6.684 1.00 0.00 O ATOM 212 CB CYS A 201 6.322 -1.031 5.658 1.00 0.00 C ATOM 213 SG CYS A 201 5.098 -1.112 4.311 1.00 0.00 S ATOM 0 H CYS A 201 3.845 -0.966 6.815 1.00 0.00 H new ATOM 0 HA CYS A 201 6.609 -0.326 7.668 1.00 0.00 H new ATOM 0 HB2 CYS A 201 7.220 -0.535 5.289 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.609 -2.045 5.935 1.00 0.00 H new ATOM 218 N GLY A 202 4.298 1.428 6.156 1.00 0.00 N ATOM 219 CA GLY A 202 3.909 2.783 5.810 1.00 0.00 C ATOM 220 C GLY A 202 3.962 3.038 4.317 1.00 0.00 C ATOM 221 O GLY A 202 4.366 4.114 3.877 1.00 0.00 O ATOM 0 H GLY A 202 3.561 0.731 6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.898 2.971 6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 202 4.566 3.488 6.319 1.00 0.00 H new ATOM 225 N LYS A 203 3.555 2.045 3.534 1.00 0.00 N ATOM 226 CA LYS A 203 3.557 2.165 2.081 1.00 0.00 C ATOM 227 C LYS A 203 2.169 2.526 1.563 1.00 0.00 C ATOM 228 O LYS A 203 1.227 2.681 2.339 1.00 0.00 O ATOM 229 CB LYS A 203 4.028 0.857 1.442 1.00 0.00 C ATOM 230 CG LYS A 203 5.513 0.835 1.123 1.00 0.00 C ATOM 231 CD LYS A 203 6.017 -0.583 0.913 1.00 0.00 C ATOM 232 CE LYS A 203 7.407 -0.773 1.501 1.00 0.00 C ATOM 233 NZ LYS A 203 8.356 0.274 1.033 1.00 0.00 N ATOM 0 H LYS A 203 3.219 1.147 3.882 1.00 0.00 H new ATOM 0 HA LYS A 203 4.246 2.964 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.797 0.031 2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.465 0.688 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 203 5.702 1.426 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 203 6.068 1.303 1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 203 5.326 -1.288 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 203 6.038 -0.809 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 203 7.347 -0.748 2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 203 7.787 -1.757 1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 9.332 -0.045 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 8.211 0.445 0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 8.188 1.155 1.560 1.00 0.00 H new ATOM 247 N ALA A 204 2.049 2.657 0.246 1.00 0.00 N ATOM 248 CA ALA A 204 0.775 2.996 -0.376 1.00 0.00 C ATOM 249 C ALA A 204 0.607 2.276 -1.710 1.00 0.00 C ATOM 250 O ALA A 204 1.551 2.171 -2.494 1.00 0.00 O ATOM 251 CB ALA A 204 0.666 4.501 -0.569 1.00 0.00 C ATOM 0 H ALA A 204 2.819 2.533 -0.411 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.024 2.667 0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.290 4.740 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.733 4.998 0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 204 1.478 4.845 -1.210 1.00 0.00 H new ATOM 257 N PHE A 205 -0.601 1.782 -1.962 1.00 0.00 N ATOM 258 CA PHE A 205 -0.892 1.070 -3.201 1.00 0.00 C ATOM 259 C PHE A 205 -2.204 1.556 -3.811 1.00 0.00 C ATOM 260 O PHE A 205 -3.006 2.210 -3.146 1.00 0.00 O ATOM 261 CB PHE A 205 -0.963 -0.437 -2.944 1.00 0.00 C ATOM 262 CG PHE A 205 0.156 -0.952 -2.085 1.00 0.00 C ATOM 263 CD1 PHE A 205 0.064 -0.907 -0.704 1.00 0.00 C ATOM 264 CD2 PHE A 205 1.301 -1.480 -2.660 1.00 0.00 C ATOM 265 CE1 PHE A 205 1.092 -1.381 0.090 1.00 0.00 C ATOM 266 CE2 PHE A 205 2.332 -1.955 -1.872 1.00 0.00 C ATOM 267 CZ PHE A 205 2.228 -1.904 -0.496 1.00 0.00 C ATOM 0 H PHE A 205 -1.394 1.862 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 205 -0.086 1.273 -3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -1.914 -0.672 -2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -0.948 -0.962 -3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -0.821 -0.497 -0.241 1.00 0.00 H new ATOM 0 HD2 PHE A 205 1.389 -1.521 -3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 205 1.007 -1.342 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 205 3.219 -2.366 -2.332 1.00 0.00 H new ATOM 0 HZ PHE A 205 3.034 -2.273 0.121 1.00 0.00 H new ATOM 277 N SER A 206 -2.414 1.230 -5.083 1.00 0.00 N ATOM 278 CA SER A 206 -3.626 1.636 -5.785 1.00 0.00 C ATOM 279 C SER A 206 -4.606 0.472 -5.896 1.00 0.00 C ATOM 280 O SER A 206 -5.805 0.673 -6.086 1.00 0.00 O ATOM 281 CB SER A 206 -3.280 2.161 -7.180 1.00 0.00 C ATOM 282 OG SER A 206 -2.176 3.049 -7.132 1.00 0.00 O ATOM 0 H SER A 206 -1.761 0.686 -5.648 1.00 0.00 H new ATOM 0 HA SER A 206 -4.099 2.433 -5.211 1.00 0.00 H new ATOM 0 HB2 SER A 206 -3.049 1.325 -7.840 1.00 0.00 H new ATOM 0 HB3 SER A 206 -4.144 2.673 -7.604 1.00 0.00 H new ATOM 0 HG SER A 206 -1.974 3.369 -8.036 1.00 0.00 H new ATOM 288 N GLN A 207 -4.085 -0.745 -5.775 1.00 0.00 N ATOM 289 CA GLN A 207 -4.914 -1.942 -5.862 1.00 0.00 C ATOM 290 C GLN A 207 -4.754 -2.806 -4.616 1.00 0.00 C ATOM 291 O GLN A 207 -3.655 -2.942 -4.078 1.00 0.00 O ATOM 292 CB GLN A 207 -4.549 -2.750 -7.108 1.00 0.00 C ATOM 293 CG GLN A 207 -5.433 -2.449 -8.308 1.00 0.00 C ATOM 294 CD GLN A 207 -6.888 -2.794 -8.062 1.00 0.00 C ATOM 295 OE1 GLN A 207 -7.246 -3.306 -7.001 1.00 0.00 O ATOM 296 NE2 GLN A 207 -7.737 -2.514 -9.045 1.00 0.00 N ATOM 0 H GLN A 207 -3.094 -0.928 -5.617 1.00 0.00 H new ATOM 0 HA GLN A 207 -5.956 -1.629 -5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 207 -3.511 -2.547 -7.372 1.00 0.00 H new ATOM 0 HB3 GLN A 207 -4.617 -3.813 -6.875 1.00 0.00 H new ATOM 0 HG2 GLN A 207 -5.352 -1.391 -8.558 1.00 0.00 H new ATOM 0 HG3 GLN A 207 -5.072 -3.009 -9.170 1.00 0.00 H new ATOM 0 HE21 GLN A 207 -7.396 -2.090 -9.908 1.00 0.00 H new ATOM 0 HE22 GLN A 207 -8.729 -2.723 -8.937 1.00 0.00 H new ATOM 305 N LYS A 208 -5.858 -3.389 -4.160 1.00 0.00 N ATOM 306 CA LYS A 208 -5.842 -4.241 -2.978 1.00 0.00 C ATOM 307 C LYS A 208 -4.893 -5.420 -3.170 1.00 0.00 C ATOM 308 O LYS A 208 -3.966 -5.618 -2.385 1.00 0.00 O ATOM 309 CB LYS A 208 -7.251 -4.752 -2.673 1.00 0.00 C ATOM 310 CG LYS A 208 -7.510 -4.976 -1.193 1.00 0.00 C ATOM 311 CD LYS A 208 -6.824 -6.236 -0.691 1.00 0.00 C ATOM 312 CE LYS A 208 -5.704 -5.909 0.285 1.00 0.00 C ATOM 313 NZ LYS A 208 -6.197 -5.130 1.454 1.00 0.00 N ATOM 0 H LYS A 208 -6.776 -3.286 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 208 -5.488 -3.645 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -7.979 -4.037 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -7.412 -5.688 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -7.153 -4.116 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.583 -5.051 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -7.556 -6.881 -0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -6.420 -6.793 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -5.244 -6.834 0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -4.929 -5.341 -0.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -5.635 -5.373 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -6.104 -4.113 1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -7.197 -5.359 1.627 1.00 0.00 H new ATOM 327 N GLY A 209 -5.130 -6.200 -4.221 1.00 0.00 N ATOM 328 CA GLY A 209 -4.286 -7.348 -4.497 1.00 0.00 C ATOM 329 C GLY A 209 -2.810 -7.014 -4.424 1.00 0.00 C ATOM 330 O GLY A 209 -2.026 -7.760 -3.837 1.00 0.00 O ATOM 0 H GLY A 209 -5.891 -6.057 -4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -4.512 -8.141 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -4.519 -7.736 -5.489 1.00 0.00 H new ATOM 334 N SER A 210 -2.428 -5.891 -5.024 1.00 0.00 N ATOM 335 CA SER A 210 -1.034 -5.462 -5.029 1.00 0.00 C ATOM 336 C SER A 210 -0.462 -5.459 -3.614 1.00 0.00 C ATOM 337 O SER A 210 0.687 -5.847 -3.396 1.00 0.00 O ATOM 338 CB SER A 210 -0.910 -4.068 -5.645 1.00 0.00 C ATOM 339 OG SER A 210 -1.808 -3.907 -6.729 1.00 0.00 O ATOM 0 H SER A 210 -3.064 -5.262 -5.513 1.00 0.00 H new ATOM 0 HA SER A 210 -0.463 -6.169 -5.631 1.00 0.00 H new ATOM 0 HB2 SER A 210 -1.112 -3.312 -4.886 1.00 0.00 H new ATOM 0 HB3 SER A 210 0.112 -3.909 -5.989 1.00 0.00 H new ATOM 0 HG SER A 210 -1.428 -3.279 -7.378 1.00 0.00 H new ATOM 345 N LEU A 211 -1.270 -5.018 -2.657 1.00 0.00 N ATOM 346 CA LEU A 211 -0.846 -4.964 -1.262 1.00 0.00 C ATOM 347 C LEU A 211 -0.743 -6.366 -0.669 1.00 0.00 C ATOM 348 O LEU A 211 0.095 -6.625 0.194 1.00 0.00 O ATOM 349 CB LEU A 211 -1.826 -4.122 -0.443 1.00 0.00 C ATOM 350 CG LEU A 211 -1.751 -4.292 1.075 1.00 0.00 C ATOM 351 CD1 LEU A 211 -0.323 -4.105 1.563 1.00 0.00 C ATOM 352 CD2 LEU A 211 -2.687 -3.313 1.768 1.00 0.00 C ATOM 0 H LEU A 211 -2.223 -4.692 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 211 0.140 -4.501 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.657 -3.071 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -2.839 -4.363 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 211 -2.068 -5.305 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.289 -4.230 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.322 -4.846 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 211 0.023 -3.105 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -2.621 -3.448 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -2.401 -2.293 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -3.711 -3.496 1.442 1.00 0.00 H new ATOM 364 N ILE A 212 -1.600 -7.266 -1.140 1.00 0.00 N ATOM 365 CA ILE A 212 -1.603 -8.641 -0.658 1.00 0.00 C ATOM 366 C ILE A 212 -0.269 -9.325 -0.939 1.00 0.00 C ATOM 367 O ILE A 212 0.169 -10.190 -0.181 1.00 0.00 O ATOM 368 CB ILE A 212 -2.734 -9.462 -1.306 1.00 0.00 C ATOM 369 CG1 ILE A 212 -4.064 -8.712 -1.199 1.00 0.00 C ATOM 370 CG2 ILE A 212 -2.838 -10.831 -0.650 1.00 0.00 C ATOM 371 CD1 ILE A 212 -5.247 -9.504 -1.709 1.00 0.00 C ATOM 0 H ILE A 212 -2.300 -7.067 -1.854 1.00 0.00 H new ATOM 0 HA ILE A 212 -1.767 -8.598 0.419 1.00 0.00 H new ATOM 0 HB ILE A 212 -2.501 -9.603 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -4.238 -8.445 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -3.992 -7.780 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -3.642 -11.399 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -1.896 -11.366 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.051 -10.710 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -6.155 -8.911 -1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 212 -5.095 -9.749 -2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -5.345 -10.424 -1.133 1.00 0.00 H new ATOM 383 N VAL A 213 0.373 -8.930 -2.034 1.00 0.00 N ATOM 384 CA VAL A 213 1.659 -9.503 -2.415 1.00 0.00 C ATOM 385 C VAL A 213 2.792 -8.903 -1.591 1.00 0.00 C ATOM 386 O VAL A 213 3.921 -9.394 -1.618 1.00 0.00 O ATOM 387 CB VAL A 213 1.952 -9.280 -3.910 1.00 0.00 C ATOM 388 CG1 VAL A 213 3.186 -10.061 -4.335 1.00 0.00 C ATOM 389 CG2 VAL A 213 0.747 -9.670 -4.753 1.00 0.00 C ATOM 0 H VAL A 213 0.024 -8.216 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 213 1.599 -10.574 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 213 2.150 -8.220 -4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 213 3.377 -9.891 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 213 4.046 -9.728 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 213 3.021 -11.124 -4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 213 0.972 -9.506 -5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 213 0.515 -10.723 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -0.110 -9.061 -4.466 1.00 0.00 H new ATOM 399 N HIS A 214 2.484 -7.838 -0.857 1.00 0.00 N ATOM 400 CA HIS A 214 3.478 -7.171 -0.023 1.00 0.00 C ATOM 401 C HIS A 214 3.433 -7.703 1.406 1.00 0.00 C ATOM 402 O HIS A 214 4.452 -7.743 2.096 1.00 0.00 O ATOM 403 CB HIS A 214 3.244 -5.660 -0.025 1.00 0.00 C ATOM 404 CG HIS A 214 3.728 -4.977 1.218 1.00 0.00 C ATOM 405 ND1 HIS A 214 5.039 -4.593 1.403 1.00 0.00 N ATOM 406 CD2 HIS A 214 3.067 -4.610 2.340 1.00 0.00 C ATOM 407 CE1 HIS A 214 5.164 -4.019 2.586 1.00 0.00 C ATOM 408 NE2 HIS A 214 3.982 -4.017 3.175 1.00 0.00 N ATOM 0 H HIS A 214 1.555 -7.419 -0.823 1.00 0.00 H new ATOM 0 HA HIS A 214 4.464 -7.379 -0.438 1.00 0.00 H new ATOM 0 HB2 HIS A 214 3.746 -5.224 -0.888 1.00 0.00 H new ATOM 0 HB3 HIS A 214 2.178 -5.466 -0.145 1.00 0.00 H new ATOM 0 HD1 HIS A 214 5.794 -4.731 0.731 1.00 0.00 H new ATOM 0 HD2 HIS A 214 2.016 -4.756 2.541 1.00 0.00 H new ATOM 0 HE1 HIS A 214 6.077 -3.619 3.001 1.00 0.00 H new ATOM 416 N ILE A 215 2.246 -8.109 1.844 1.00 0.00 N ATOM 417 CA ILE A 215 2.069 -8.638 3.191 1.00 0.00 C ATOM 418 C ILE A 215 2.982 -9.834 3.435 1.00 0.00 C ATOM 419 O ILE A 215 3.282 -10.175 4.580 1.00 0.00 O ATOM 420 CB ILE A 215 0.610 -9.061 3.442 1.00 0.00 C ATOM 421 CG1 ILE A 215 -0.331 -7.870 3.243 1.00 0.00 C ATOM 422 CG2 ILE A 215 0.458 -9.633 4.844 1.00 0.00 C ATOM 423 CD1 ILE A 215 -1.774 -8.270 3.030 1.00 0.00 C ATOM 0 H ILE A 215 1.393 -8.082 1.286 1.00 0.00 H new ATOM 0 HA ILE A 215 2.330 -7.837 3.882 1.00 0.00 H new ATOM 0 HB ILE A 215 0.343 -9.836 2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.268 -7.218 4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.007 -7.289 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -0.579 -9.927 5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 215 1.104 -10.504 4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 215 0.740 -8.878 5.578 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -2.383 -7.376 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -1.850 -8.898 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -2.130 -8.825 3.898 1.00 0.00 H new ATOM 435 N ARG A 216 3.423 -10.467 2.353 1.00 0.00 N ATOM 436 CA ARG A 216 4.303 -11.625 2.449 1.00 0.00 C ATOM 437 C ARG A 216 5.553 -11.291 3.258 1.00 0.00 C ATOM 438 O ARG A 216 6.173 -12.172 3.854 1.00 0.00 O ATOM 439 CB ARG A 216 4.699 -12.109 1.053 1.00 0.00 C ATOM 440 CG ARG A 216 3.512 -12.413 0.154 1.00 0.00 C ATOM 441 CD ARG A 216 3.948 -12.647 -1.284 1.00 0.00 C ATOM 442 NE ARG A 216 3.277 -13.800 -1.878 1.00 0.00 N ATOM 443 CZ ARG A 216 3.662 -15.056 -1.683 1.00 0.00 C ATOM 444 NH1 ARG A 216 4.708 -15.320 -0.912 1.00 0.00 N ATOM 445 NH2 ARG A 216 3.000 -16.051 -2.258 1.00 0.00 N ATOM 0 H ARG A 216 3.185 -10.197 1.399 1.00 0.00 H new ATOM 0 HA ARG A 216 3.762 -12.421 2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 216 5.319 -11.350 0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 216 5.311 -13.006 1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 216 2.990 -13.295 0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 216 2.805 -11.584 0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 216 3.734 -11.758 -1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 216 5.027 -12.799 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 216 2.468 -13.631 -2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 216 5.219 -14.558 -0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 216 5.002 -16.286 -0.764 1.00 0.00 H new ATOM 0 HH21 ARG A 216 2.194 -15.852 -2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 216 3.297 -17.015 -2.107 1.00 0.00 H new ATOM 459 N VAL A 217 5.918 -10.013 3.273 1.00 0.00 N ATOM 460 CA VAL A 217 7.094 -9.563 4.009 1.00 0.00 C ATOM 461 C VAL A 217 6.773 -9.357 5.485 1.00 0.00 C ATOM 462 O VAL A 217 7.657 -9.431 6.340 1.00 0.00 O ATOM 463 CB VAL A 217 7.651 -8.250 3.427 1.00 0.00 C ATOM 464 CG1 VAL A 217 7.856 -8.375 1.925 1.00 0.00 C ATOM 465 CG2 VAL A 217 6.723 -7.088 3.752 1.00 0.00 C ATOM 0 H VAL A 217 5.417 -9.271 2.784 1.00 0.00 H new ATOM 0 HA VAL A 217 7.848 -10.344 3.910 1.00 0.00 H new ATOM 0 HB VAL A 217 8.620 -8.052 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 217 8.250 -7.438 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 217 8.562 -9.180 1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 217 6.903 -8.598 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 217 7.131 -6.168 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 217 5.739 -7.277 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 217 6.633 -6.986 4.833 1.00 0.00 H new ATOM 475 N HIS A 218 5.503 -9.097 5.778 1.00 0.00 N ATOM 476 CA HIS A 218 5.064 -8.881 7.152 1.00 0.00 C ATOM 477 C HIS A 218 4.473 -10.158 7.741 1.00 0.00 C ATOM 478 O HIS A 218 5.097 -10.819 8.572 1.00 0.00 O ATOM 479 CB HIS A 218 4.033 -7.754 7.209 1.00 0.00 C ATOM 480 CG HIS A 218 4.587 -6.415 6.830 1.00 0.00 C ATOM 481 ND1 HIS A 218 5.641 -5.822 7.491 1.00 0.00 N ATOM 482 CD2 HIS A 218 4.228 -5.554 5.849 1.00 0.00 C ATOM 483 CE1 HIS A 218 5.905 -4.653 6.935 1.00 0.00 C ATOM 484 NE2 HIS A 218 5.062 -4.467 5.935 1.00 0.00 N ATOM 0 H HIS A 218 4.760 -9.031 5.083 1.00 0.00 H new ATOM 0 HA HIS A 218 5.934 -8.598 7.745 1.00 0.00 H new ATOM 0 HB2 HIS A 218 3.205 -7.997 6.544 1.00 0.00 H new ATOM 0 HB3 HIS A 218 3.625 -7.697 8.218 1.00 0.00 H new ATOM 0 HD1 HIS A 218 6.139 -6.223 8.285 1.00 0.00 H new ATOM 0 HD2 HIS A 218 3.433 -5.696 5.132 1.00 0.00 H new ATOM 0 HE1 HIS A 218 6.679 -3.966 7.245 1.00 0.00 H new ATOM 492 N THR A 219 3.264 -10.500 7.306 1.00 0.00 N ATOM 493 CA THR A 219 2.588 -11.696 7.791 1.00 0.00 C ATOM 494 C THR A 219 2.551 -12.780 6.719 1.00 0.00 C ATOM 495 O THR A 219 2.542 -12.485 5.525 1.00 0.00 O ATOM 496 CB THR A 219 1.147 -11.384 8.239 1.00 0.00 C ATOM 497 OG1 THR A 219 0.899 -9.977 8.146 1.00 0.00 O ATOM 498 CG2 THR A 219 0.912 -11.852 9.667 1.00 0.00 C ATOM 0 H THR A 219 2.733 -9.965 6.619 1.00 0.00 H new ATOM 0 HA THR A 219 3.158 -12.055 8.648 1.00 0.00 H new ATOM 0 HB THR A 219 0.461 -11.917 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.019 -9.787 8.431 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.112 -11.621 9.962 1.00 0.00 H new ATOM 0 HG22 THR A 219 1.073 -12.928 9.728 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.606 -11.342 10.336 1.00 0.00 H new ATOM 506 N GLY A 220 2.528 -14.036 7.154 1.00 0.00 N ATOM 507 CA GLY A 220 2.492 -15.145 6.218 1.00 0.00 C ATOM 508 C GLY A 220 1.392 -14.996 5.186 1.00 0.00 C ATOM 509 O GLY A 220 0.220 -15.229 5.481 1.00 0.00 O ATOM 0 H GLY A 220 2.534 -14.306 8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 220 3.454 -15.220 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.347 -16.075 6.767 1.00 0.00 H new ATOM 513 N SER A 221 1.769 -14.607 3.973 1.00 0.00 N ATOM 514 CA SER A 221 0.805 -14.423 2.895 1.00 0.00 C ATOM 515 C SER A 221 1.104 -15.363 1.731 1.00 0.00 C ATOM 516 O SER A 221 2.263 -15.648 1.430 1.00 0.00 O ATOM 517 CB SER A 221 0.822 -12.972 2.409 1.00 0.00 C ATOM 518 OG SER A 221 0.391 -12.879 1.063 1.00 0.00 O ATOM 0 H SER A 221 2.736 -14.413 3.712 1.00 0.00 H new ATOM 0 HA SER A 221 -0.186 -14.658 3.284 1.00 0.00 H new ATOM 0 HB2 SER A 221 0.176 -12.365 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 221 1.830 -12.567 2.500 1.00 0.00 H new ATOM 0 HG SER A 221 0.365 -11.938 0.792 1.00 0.00 H new ATOM 524 N GLY A 222 0.049 -15.844 1.080 1.00 0.00 N ATOM 525 CA GLY A 222 0.219 -16.747 -0.043 1.00 0.00 C ATOM 526 C GLY A 222 -1.074 -17.438 -0.431 1.00 0.00 C ATOM 527 O GLY A 222 -2.142 -17.152 0.110 1.00 0.00 O ATOM 0 H GLY A 222 -0.920 -15.624 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 222 0.601 -16.190 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 222 0.968 -17.498 0.209 1.00 0.00 H new ATOM 531 N PRO A 223 -0.986 -18.369 -1.392 1.00 0.00 N ATOM 532 CA PRO A 223 -2.148 -19.121 -1.875 1.00 0.00 C ATOM 533 C PRO A 223 -2.676 -20.103 -0.835 1.00 0.00 C ATOM 534 O PRO A 223 -1.910 -20.661 -0.049 1.00 0.00 O ATOM 535 CB PRO A 223 -1.604 -19.872 -3.093 1.00 0.00 C ATOM 536 CG PRO A 223 -0.141 -19.999 -2.837 1.00 0.00 C ATOM 537 CD PRO A 223 0.255 -18.761 -2.081 1.00 0.00 C ATOM 0 HA PRO A 223 -2.991 -18.468 -2.102 1.00 0.00 H new ATOM 0 HB2 PRO A 223 -2.074 -20.850 -3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 223 -1.799 -19.324 -4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 223 0.078 -20.896 -2.258 1.00 0.00 H new ATOM 0 HG3 PRO A 223 0.413 -20.080 -3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 223 1.060 -18.962 -1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 223 0.607 -17.977 -2.751 1.00 0.00 H new ATOM 545 N SER A 224 -3.989 -20.311 -0.837 1.00 0.00 N ATOM 546 CA SER A 224 -4.619 -21.224 0.109 1.00 0.00 C ATOM 547 C SER A 224 -4.429 -20.738 1.543 1.00 0.00 C ATOM 548 O SER A 224 -3.850 -19.678 1.779 1.00 0.00 O ATOM 549 CB SER A 224 -4.040 -22.632 -0.045 1.00 0.00 C ATOM 550 OG SER A 224 -4.028 -23.033 -1.404 1.00 0.00 O ATOM 0 H SER A 224 -4.637 -19.860 -1.483 1.00 0.00 H new ATOM 0 HA SER A 224 -5.687 -21.252 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 224 -3.026 -22.657 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 224 -4.630 -23.337 0.540 1.00 0.00 H new ATOM 0 HG SER A 224 -3.652 -23.935 -1.476 1.00 0.00 H new ATOM 556 N SER A 225 -4.922 -21.521 2.497 1.00 0.00 N ATOM 557 CA SER A 225 -4.811 -21.170 3.908 1.00 0.00 C ATOM 558 C SER A 225 -3.745 -22.017 4.596 1.00 0.00 C ATOM 559 O SER A 225 -4.026 -22.720 5.566 1.00 0.00 O ATOM 560 CB SER A 225 -6.158 -21.355 4.609 1.00 0.00 C ATOM 561 OG SER A 225 -6.576 -22.708 4.561 1.00 0.00 O ATOM 0 H SER A 225 -5.402 -22.403 2.318 1.00 0.00 H new ATOM 0 HA SER A 225 -4.516 -20.123 3.975 1.00 0.00 H new ATOM 0 HB2 SER A 225 -6.079 -21.032 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 225 -6.908 -20.722 4.135 1.00 0.00 H new ATOM 0 HG SER A 225 -5.911 -23.272 5.008 1.00 0.00 H new ATOM 567 N GLY A 226 -2.519 -21.945 4.086 1.00 0.00 N ATOM 568 CA GLY A 226 -1.430 -22.710 4.663 1.00 0.00 C ATOM 569 C GLY A 226 -0.114 -22.474 3.949 1.00 0.00 C ATOM 570 O GLY A 226 0.845 -22.041 4.587 1.00 0.00 O ATOM 0 H GLY A 226 -2.261 -21.370 3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 226 -1.322 -22.446 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 226 -1.675 -23.771 4.625 1.00 0.00 H new TER 574 GLY A 226 HETATM 575 ZN ZN A 301 4.034 -3.187 4.881 1.00 0.00 ZN