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= 0.139 USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 SER OG : rot 150:sc= 0.0497 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= -0.13 X(o=-0.13,f=-0.081) USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 SER OG : rot 180:sc= -0.398 USER MOD Single : A 207 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 SER OG : rot 180:sc= -0.667 USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot 140:sc= 0.0196 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 185 7.434 17.130 11.636 1.00 0.00 N ATOM 2 CA GLY A 185 7.336 17.880 10.398 1.00 0.00 C ATOM 3 C GLY A 185 6.073 17.560 9.624 1.00 0.00 C ATOM 4 O GLY A 185 5.880 16.430 9.177 1.00 0.00 O ATOM 0 HA2 GLY A 185 7.362 18.947 10.620 1.00 0.00 H new ATOM 0 HA3 GLY A 185 8.204 17.663 9.776 1.00 0.00 H new ATOM 8 N SER A 186 5.209 18.558 9.466 1.00 0.00 N ATOM 9 CA SER A 186 3.955 18.376 8.745 1.00 0.00 C ATOM 10 C SER A 186 4.201 18.278 7.243 1.00 0.00 C ATOM 11 O SER A 186 4.621 19.244 6.607 1.00 0.00 O ATOM 12 CB SER A 186 2.999 19.533 9.042 1.00 0.00 C ATOM 13 OG SER A 186 3.645 20.550 9.788 1.00 0.00 O ATOM 0 H SER A 186 5.355 19.501 9.828 1.00 0.00 H new ATOM 0 HA SER A 186 3.502 17.444 9.083 1.00 0.00 H new ATOM 0 HB2 SER A 186 2.623 19.947 8.107 1.00 0.00 H new ATOM 0 HB3 SER A 186 2.137 19.163 9.597 1.00 0.00 H new ATOM 0 HG SER A 186 3.013 21.278 9.963 1.00 0.00 H new ATOM 19 N SER A 187 3.936 17.102 6.682 1.00 0.00 N ATOM 20 CA SER A 187 4.131 16.875 5.255 1.00 0.00 C ATOM 21 C SER A 187 3.496 15.556 4.822 1.00 0.00 C ATOM 22 O SER A 187 3.628 14.539 5.501 1.00 0.00 O ATOM 23 CB SER A 187 5.624 16.869 4.918 1.00 0.00 C ATOM 24 OG SER A 187 5.884 17.619 3.744 1.00 0.00 O ATOM 0 H SER A 187 3.586 16.292 7.194 1.00 0.00 H new ATOM 0 HA SER A 187 3.646 17.687 4.714 1.00 0.00 H new ATOM 0 HB2 SER A 187 6.190 17.284 5.752 1.00 0.00 H new ATOM 0 HB3 SER A 187 5.965 15.843 4.781 1.00 0.00 H new ATOM 0 HG SER A 187 6.845 17.601 3.551 1.00 0.00 H new ATOM 30 N GLY A 188 2.806 15.584 3.686 1.00 0.00 N ATOM 31 CA GLY A 188 2.161 14.386 3.182 1.00 0.00 C ATOM 32 C GLY A 188 2.252 14.269 1.673 1.00 0.00 C ATOM 33 O GLY A 188 3.330 14.416 1.097 1.00 0.00 O ATOM 0 H GLY A 188 2.682 16.414 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 188 2.621 13.510 3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 188 1.113 14.389 3.481 1.00 0.00 H new ATOM 37 N SER A 189 1.119 14.003 1.032 1.00 0.00 N ATOM 38 CA SER A 189 1.076 13.862 -0.419 1.00 0.00 C ATOM 39 C SER A 189 0.749 15.194 -1.086 1.00 0.00 C ATOM 40 O SER A 189 1.129 15.437 -2.231 1.00 0.00 O ATOM 41 CB SER A 189 0.040 12.810 -0.820 1.00 0.00 C ATOM 42 OG SER A 189 -0.696 12.364 0.306 1.00 0.00 O ATOM 0 H SER A 189 0.218 13.881 1.494 1.00 0.00 H new ATOM 0 HA SER A 189 2.061 13.539 -0.757 1.00 0.00 H new ATOM 0 HB2 SER A 189 -0.641 13.229 -1.561 1.00 0.00 H new ATOM 0 HB3 SER A 189 0.540 11.963 -1.290 1.00 0.00 H new ATOM 0 HG SER A 189 -1.598 12.104 0.025 1.00 0.00 H new ATOM 48 N SER A 190 0.043 16.054 -0.360 1.00 0.00 N ATOM 49 CA SER A 190 -0.340 17.362 -0.881 1.00 0.00 C ATOM 50 C SER A 190 -1.034 17.225 -2.233 1.00 0.00 C ATOM 51 O SER A 190 -0.785 18.004 -3.152 1.00 0.00 O ATOM 52 CB SER A 190 0.891 18.260 -1.015 1.00 0.00 C ATOM 53 OG SER A 190 1.655 18.261 0.178 1.00 0.00 O ATOM 0 H SER A 190 -0.276 15.869 0.591 1.00 0.00 H new ATOM 0 HA SER A 190 -1.038 17.817 -0.178 1.00 0.00 H new ATOM 0 HB2 SER A 190 1.508 17.915 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 190 0.579 19.277 -1.251 1.00 0.00 H new ATOM 0 HG SER A 190 2.437 18.841 0.065 1.00 0.00 H new ATOM 59 N GLY A 191 -1.908 16.229 -2.345 1.00 0.00 N ATOM 60 CA GLY A 191 -2.625 16.008 -3.586 1.00 0.00 C ATOM 61 C GLY A 191 -3.649 14.896 -3.474 1.00 0.00 C ATOM 62 O GLY A 191 -4.785 15.127 -3.063 1.00 0.00 O ATOM 0 H GLY A 191 -2.132 15.572 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 191 -3.125 16.930 -3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 191 -1.913 15.764 -4.375 1.00 0.00 H new ATOM 66 N GLY A 192 -3.246 13.683 -3.843 1.00 0.00 N ATOM 67 CA GLY A 192 -4.149 12.549 -3.777 1.00 0.00 C ATOM 68 C GLY A 192 -3.469 11.296 -3.264 1.00 0.00 C ATOM 69 O GLY A 192 -2.299 11.053 -3.559 1.00 0.00 O ATOM 0 H GLY A 192 -2.310 13.466 -4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -4.989 12.795 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -4.559 12.356 -4.769 1.00 0.00 H new ATOM 73 N GLU A 193 -4.202 10.499 -2.493 1.00 0.00 N ATOM 74 CA GLU A 193 -3.660 9.265 -1.937 1.00 0.00 C ATOM 75 C GLU A 193 -4.616 8.098 -2.167 1.00 0.00 C ATOM 76 O GLU A 193 -5.764 8.290 -2.570 1.00 0.00 O ATOM 77 CB GLU A 193 -3.391 9.429 -0.440 1.00 0.00 C ATOM 78 CG GLU A 193 -4.647 9.655 0.384 1.00 0.00 C ATOM 79 CD GLU A 193 -5.177 11.071 0.264 1.00 0.00 C ATOM 80 OE1 GLU A 193 -4.360 12.015 0.301 1.00 0.00 O ATOM 81 OE2 GLU A 193 -6.408 11.236 0.132 1.00 0.00 O ATOM 0 H GLU A 193 -5.172 10.686 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 193 -2.721 9.049 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.881 8.539 -0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -2.713 10.270 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -5.418 8.954 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -4.434 9.438 1.431 1.00 0.00 H new ATOM 88 N LYS A 194 -4.135 6.886 -1.909 1.00 0.00 N ATOM 89 CA LYS A 194 -4.945 5.687 -2.087 1.00 0.00 C ATOM 90 C LYS A 194 -5.396 5.131 -0.740 1.00 0.00 C ATOM 91 O LYS A 194 -4.766 5.355 0.294 1.00 0.00 O ATOM 92 CB LYS A 194 -4.155 4.622 -2.852 1.00 0.00 C ATOM 93 CG LYS A 194 -3.889 4.987 -4.302 1.00 0.00 C ATOM 94 CD LYS A 194 -5.141 4.847 -5.151 1.00 0.00 C ATOM 95 CE LYS A 194 -5.614 6.194 -5.675 1.00 0.00 C ATOM 96 NZ LYS A 194 -7.099 6.271 -5.749 1.00 0.00 N ATOM 0 H LYS A 194 -3.187 6.709 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.830 5.958 -2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -3.203 4.455 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.703 3.680 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -3.523 6.012 -4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -3.104 4.345 -4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -4.940 4.180 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -5.933 4.387 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -5.241 6.987 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -5.192 6.367 -6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -7.381 7.205 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -7.454 5.531 -6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -7.502 6.132 -4.800 1.00 0.00 H new ATOM 110 N PRO A 195 -6.512 4.387 -0.750 1.00 0.00 N ATOM 111 CA PRO A 195 -7.070 3.782 0.463 1.00 0.00 C ATOM 112 C PRO A 195 -6.202 2.648 0.998 1.00 0.00 C ATOM 113 O PRO A 195 -6.243 2.330 2.186 1.00 0.00 O ATOM 114 CB PRO A 195 -8.426 3.244 -0.001 1.00 0.00 C ATOM 115 CG PRO A 195 -8.262 3.016 -1.465 1.00 0.00 C ATOM 116 CD PRO A 195 -7.314 4.079 -1.946 1.00 0.00 C ATOM 0 HA PRO A 195 -7.137 4.498 1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -8.684 2.320 0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -9.225 3.957 0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -7.865 2.020 -1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -9.220 3.085 -1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -6.692 3.721 -2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -7.847 4.958 -2.310 1.00 0.00 H new ATOM 124 N TYR A 196 -5.418 2.042 0.113 1.00 0.00 N ATOM 125 CA TYR A 196 -4.541 0.942 0.497 1.00 0.00 C ATOM 126 C TYR A 196 -3.202 1.465 1.008 1.00 0.00 C ATOM 127 O TYR A 196 -2.327 1.834 0.226 1.00 0.00 O ATOM 128 CB TYR A 196 -4.314 0.005 -0.691 1.00 0.00 C ATOM 129 CG TYR A 196 -5.572 -0.294 -1.475 1.00 0.00 C ATOM 130 CD1 TYR A 196 -6.408 -1.343 -1.110 1.00 0.00 C ATOM 131 CD2 TYR A 196 -5.925 0.470 -2.580 1.00 0.00 C ATOM 132 CE1 TYR A 196 -7.558 -1.621 -1.824 1.00 0.00 C ATOM 133 CE2 TYR A 196 -7.073 0.200 -3.298 1.00 0.00 C ATOM 134 CZ TYR A 196 -7.887 -0.846 -2.916 1.00 0.00 C ATOM 135 OH TYR A 196 -9.031 -1.119 -3.630 1.00 0.00 O ATOM 0 H TYR A 196 -5.372 2.294 -0.874 1.00 0.00 H new ATOM 0 HA TYR A 196 -5.026 0.389 1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -3.577 0.451 -1.359 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -3.890 -0.932 -0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -6.154 -1.951 -0.254 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.290 1.290 -2.883 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.196 -2.441 -1.528 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -7.332 0.805 -4.154 1.00 0.00 H new ATOM 0 HH TYR A 196 -9.117 -0.479 -4.367 1.00 0.00 H new ATOM 145 N ARG A 197 -3.052 1.494 2.329 1.00 0.00 N ATOM 146 CA ARG A 197 -1.821 1.972 2.947 1.00 0.00 C ATOM 147 C ARG A 197 -1.397 1.057 4.092 1.00 0.00 C ATOM 148 O ARG A 197 -2.056 0.999 5.131 1.00 0.00 O ATOM 149 CB ARG A 197 -2.006 3.400 3.462 1.00 0.00 C ATOM 150 CG ARG A 197 -0.841 3.900 4.302 1.00 0.00 C ATOM 151 CD ARG A 197 -0.327 5.240 3.800 1.00 0.00 C ATOM 152 NE ARG A 197 0.108 6.104 4.894 1.00 0.00 N ATOM 153 CZ ARG A 197 0.629 7.313 4.713 1.00 0.00 C ATOM 154 NH1 ARG A 197 0.778 7.798 3.488 1.00 0.00 N ATOM 155 NH2 ARG A 197 1.000 8.040 5.759 1.00 0.00 N ATOM 0 H ARG A 197 -3.767 1.192 2.991 1.00 0.00 H new ATOM 0 HA ARG A 197 -1.037 1.965 2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -2.144 4.069 2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -2.918 3.448 4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -1.155 3.996 5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -0.034 3.168 4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 197 0.505 5.076 3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -1.112 5.740 3.233 1.00 0.00 H new ATOM 0 HE ARG A 197 0.006 5.761 5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 197 0.492 7.243 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 197 1.178 8.726 3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 197 0.885 7.671 6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 197 1.400 8.968 5.619 1.00 0.00 H new ATOM 169 N CYS A 198 -0.293 0.344 3.896 1.00 0.00 N ATOM 170 CA CYS A 198 0.219 -0.569 4.910 1.00 0.00 C ATOM 171 C CYS A 198 0.715 0.199 6.132 1.00 0.00 C ATOM 172 O CYS A 198 1.488 1.150 6.010 1.00 0.00 O ATOM 173 CB CYS A 198 1.353 -1.420 4.335 1.00 0.00 C ATOM 174 SG CYS A 198 1.754 -2.894 5.328 1.00 0.00 S ATOM 0 H CYS A 198 0.265 0.381 3.043 1.00 0.00 H new ATOM 0 HA CYS A 198 -0.596 -1.223 5.219 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.081 -1.737 3.328 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.246 -0.802 4.244 1.00 0.00 H new ATOM 179 N ASP A 199 0.265 -0.220 7.310 1.00 0.00 N ATOM 180 CA ASP A 199 0.663 0.427 8.555 1.00 0.00 C ATOM 181 C ASP A 199 1.884 -0.261 9.158 1.00 0.00 C ATOM 182 O ASP A 199 2.477 0.235 10.116 1.00 0.00 O ATOM 183 CB ASP A 199 -0.493 0.410 9.556 1.00 0.00 C ATOM 184 CG ASP A 199 -1.254 1.721 9.584 1.00 0.00 C ATOM 185 OD1 ASP A 199 -0.826 2.640 10.314 1.00 0.00 O ATOM 186 OD2 ASP A 199 -2.276 1.828 8.875 1.00 0.00 O ATOM 0 H ASP A 199 -0.376 -1.005 7.429 1.00 0.00 H new ATOM 0 HA ASP A 199 0.924 1.461 8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 199 -1.178 -0.399 9.302 1.00 0.00 H new ATOM 0 HB3 ASP A 199 -0.104 0.198 10.552 1.00 0.00 H new ATOM 191 N GLN A 200 2.253 -1.405 8.591 1.00 0.00 N ATOM 192 CA GLN A 200 3.403 -2.160 9.074 1.00 0.00 C ATOM 193 C GLN A 200 4.708 -1.511 8.627 1.00 0.00 C ATOM 194 O GLN A 200 5.694 -1.502 9.365 1.00 0.00 O ATOM 195 CB GLN A 200 3.339 -3.603 8.571 1.00 0.00 C ATOM 196 CG GLN A 200 2.086 -4.345 9.007 1.00 0.00 C ATOM 197 CD GLN A 200 1.916 -4.368 10.513 1.00 0.00 C ATOM 198 OE1 GLN A 200 2.404 -5.273 11.191 1.00 0.00 O ATOM 199 NE2 GLN A 200 1.220 -3.370 11.046 1.00 0.00 N ATOM 0 H GLN A 200 1.773 -1.829 7.797 1.00 0.00 H new ATOM 0 HA GLN A 200 3.374 -2.160 10.164 1.00 0.00 H new ATOM 0 HB2 GLN A 200 3.390 -3.602 7.482 1.00 0.00 H new ATOM 0 HB3 GLN A 200 4.215 -4.143 8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 200 1.213 -3.874 8.554 1.00 0.00 H new ATOM 0 HG3 GLN A 200 2.126 -5.368 8.634 1.00 0.00 H new ATOM 0 HE21 GLN A 200 0.833 -2.641 10.447 1.00 0.00 H new ATOM 0 HE22 GLN A 200 1.072 -3.333 12.055 1.00 0.00 H new ATOM 208 N CYS A 201 4.708 -0.968 7.415 1.00 0.00 N ATOM 209 CA CYS A 201 5.893 -0.316 6.868 1.00 0.00 C ATOM 210 C CYS A 201 5.608 1.148 6.545 1.00 0.00 C ATOM 211 O CYS A 201 6.487 2.001 6.654 1.00 0.00 O ATOM 212 CB CYS A 201 6.366 -1.045 5.609 1.00 0.00 C ATOM 213 SG CYS A 201 5.127 -1.104 4.274 1.00 0.00 S ATOM 0 H CYS A 201 3.900 -0.966 6.792 1.00 0.00 H new ATOM 0 HA CYS A 201 6.680 -0.357 7.621 1.00 0.00 H new ATOM 0 HB2 CYS A 201 7.265 -0.555 5.235 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.646 -2.064 5.876 1.00 0.00 H new ATOM 218 N GLY A 202 4.371 1.431 6.147 1.00 0.00 N ATOM 219 CA GLY A 202 3.991 2.791 5.815 1.00 0.00 C ATOM 220 C GLY A 202 4.076 3.070 4.327 1.00 0.00 C ATOM 221 O GLY A 202 4.678 4.058 3.906 1.00 0.00 O ATOM 0 H GLY A 202 3.625 0.742 6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.973 2.975 6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 202 4.638 3.487 6.350 1.00 0.00 H new ATOM 225 N LYS A 203 3.473 2.196 3.528 1.00 0.00 N ATOM 226 CA LYS A 203 3.482 2.351 2.078 1.00 0.00 C ATOM 227 C LYS A 203 2.077 2.625 1.551 1.00 0.00 C ATOM 228 O LYS A 203 1.121 2.707 2.321 1.00 0.00 O ATOM 229 CB LYS A 203 4.052 1.095 1.414 1.00 0.00 C ATOM 230 CG LYS A 203 5.491 1.249 0.954 1.00 0.00 C ATOM 231 CD LYS A 203 5.854 0.213 -0.096 1.00 0.00 C ATOM 232 CE LYS A 203 5.810 0.801 -1.498 1.00 0.00 C ATOM 233 NZ LYS A 203 7.128 0.699 -2.184 1.00 0.00 N ATOM 0 H LYS A 203 2.972 1.372 3.861 1.00 0.00 H new ATOM 0 HA LYS A 203 4.115 3.204 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.991 0.264 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.431 0.834 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 203 5.639 2.249 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 203 6.160 1.152 1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 203 6.852 -0.176 0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 203 5.165 -0.629 -0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 203 5.053 0.282 -2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 203 5.509 1.847 -1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 7.056 1.111 -3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.845 1.216 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 7.404 -0.301 -2.259 1.00 0.00 H new ATOM 247 N ALA A 204 1.961 2.764 0.235 1.00 0.00 N ATOM 248 CA ALA A 204 0.672 3.026 -0.394 1.00 0.00 C ATOM 249 C ALA A 204 0.536 2.259 -1.706 1.00 0.00 C ATOM 250 O ALA A 204 1.492 2.150 -2.475 1.00 0.00 O ATOM 251 CB ALA A 204 0.494 4.518 -0.633 1.00 0.00 C ATOM 0 H ALA A 204 2.743 2.700 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.111 2.682 0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.473 4.698 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.539 5.047 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 204 1.288 4.879 -1.286 1.00 0.00 H new ATOM 257 N PHE A 205 -0.656 1.728 -1.954 1.00 0.00 N ATOM 258 CA PHE A 205 -0.917 0.970 -3.172 1.00 0.00 C ATOM 259 C PHE A 205 -2.196 1.451 -3.850 1.00 0.00 C ATOM 260 O PHE A 205 -3.112 1.945 -3.192 1.00 0.00 O ATOM 261 CB PHE A 205 -1.025 -0.523 -2.855 1.00 0.00 C ATOM 262 CG PHE A 205 0.076 -1.029 -1.968 1.00 0.00 C ATOM 263 CD1 PHE A 205 -0.021 -0.921 -0.590 1.00 0.00 C ATOM 264 CD2 PHE A 205 1.209 -1.614 -2.513 1.00 0.00 C ATOM 265 CE1 PHE A 205 0.991 -1.386 0.229 1.00 0.00 C ATOM 266 CE2 PHE A 205 2.223 -2.081 -1.699 1.00 0.00 C ATOM 267 CZ PHE A 205 2.115 -1.966 -0.327 1.00 0.00 C ATOM 0 H PHE A 205 -1.457 1.808 -1.328 1.00 0.00 H new ATOM 0 HA PHE A 205 -0.083 1.131 -3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -1.985 -0.716 -2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -1.016 -1.086 -3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -0.898 -0.468 -0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 205 1.300 -1.706 -3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 205 0.903 -1.296 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 205 3.100 -2.536 -2.136 1.00 0.00 H new ATOM 0 HZ PHE A 205 2.908 -2.329 0.310 1.00 0.00 H new ATOM 277 N SER A 206 -2.250 1.305 -5.170 1.00 0.00 N ATOM 278 CA SER A 206 -3.415 1.729 -5.939 1.00 0.00 C ATOM 279 C SER A 206 -4.503 0.660 -5.909 1.00 0.00 C ATOM 280 O SER A 206 -5.692 0.968 -6.001 1.00 0.00 O ATOM 281 CB SER A 206 -3.016 2.027 -7.385 1.00 0.00 C ATOM 282 OG SER A 206 -3.425 0.984 -8.253 1.00 0.00 O ATOM 0 H SER A 206 -1.501 0.897 -5.729 1.00 0.00 H new ATOM 0 HA SER A 206 -3.810 2.637 -5.484 1.00 0.00 H new ATOM 0 HB2 SER A 206 -3.467 2.967 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 206 -1.935 2.154 -7.448 1.00 0.00 H new ATOM 0 HG SER A 206 -3.160 1.200 -9.171 1.00 0.00 H new ATOM 288 N GLN A 207 -4.088 -0.596 -5.781 1.00 0.00 N ATOM 289 CA GLN A 207 -5.027 -1.710 -5.741 1.00 0.00 C ATOM 290 C GLN A 207 -4.849 -2.526 -4.464 1.00 0.00 C ATOM 291 O GLN A 207 -3.842 -2.397 -3.768 1.00 0.00 O ATOM 292 CB GLN A 207 -4.839 -2.608 -6.965 1.00 0.00 C ATOM 293 CG GLN A 207 -5.165 -1.920 -8.280 1.00 0.00 C ATOM 294 CD GLN A 207 -6.633 -2.023 -8.645 1.00 0.00 C ATOM 295 OE1 GLN A 207 -7.104 -3.074 -9.080 1.00 0.00 O ATOM 296 NE2 GLN A 207 -7.366 -0.930 -8.467 1.00 0.00 N ATOM 0 H GLN A 207 -3.108 -0.867 -5.703 1.00 0.00 H new ATOM 0 HA GLN A 207 -6.037 -1.301 -5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 207 -3.807 -2.958 -6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 207 -5.471 -3.489 -6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 207 -4.884 -0.869 -8.215 1.00 0.00 H new ATOM 0 HG3 GLN A 207 -4.565 -2.362 -9.075 1.00 0.00 H new ATOM 0 HE21 GLN A 207 -6.934 -0.080 -8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 207 -8.361 -0.940 -8.693 1.00 0.00 H new ATOM 305 N LYS A 208 -5.833 -3.366 -4.163 1.00 0.00 N ATOM 306 CA LYS A 208 -5.785 -4.205 -2.971 1.00 0.00 C ATOM 307 C LYS A 208 -4.855 -5.395 -3.180 1.00 0.00 C ATOM 308 O LYS A 208 -3.948 -5.634 -2.384 1.00 0.00 O ATOM 309 CB LYS A 208 -7.189 -4.698 -2.613 1.00 0.00 C ATOM 310 CG LYS A 208 -7.396 -4.917 -1.124 1.00 0.00 C ATOM 311 CD LYS A 208 -7.104 -6.354 -0.727 1.00 0.00 C ATOM 312 CE LYS A 208 -6.708 -6.458 0.738 1.00 0.00 C ATOM 313 NZ LYS A 208 -7.032 -7.796 1.307 1.00 0.00 N ATOM 0 H LYS A 208 -6.674 -3.484 -4.728 1.00 0.00 H new ATOM 0 HA LYS A 208 -5.397 -3.603 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -7.921 -3.974 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -7.382 -5.633 -3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -6.748 -4.244 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.423 -4.666 -0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -7.984 -6.970 -0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -6.302 -6.749 -1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -5.639 -6.269 0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -7.224 -5.686 1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -6.747 -7.826 2.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -8.055 -7.966 1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -6.520 -8.531 0.779 1.00 0.00 H new ATOM 327 N GLY A 209 -5.086 -6.139 -4.257 1.00 0.00 N ATOM 328 CA GLY A 209 -4.259 -7.295 -4.552 1.00 0.00 C ATOM 329 C GLY A 209 -2.778 -6.988 -4.456 1.00 0.00 C ATOM 330 O GLY A 209 -2.015 -7.753 -3.868 1.00 0.00 O ATOM 0 H GLY A 209 -5.831 -5.962 -4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -4.506 -8.100 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -4.488 -7.655 -5.555 1.00 0.00 H new ATOM 334 N SER A 210 -2.369 -5.865 -5.039 1.00 0.00 N ATOM 335 CA SER A 210 -0.968 -5.461 -5.022 1.00 0.00 C ATOM 336 C SER A 210 -0.414 -5.483 -3.601 1.00 0.00 C ATOM 337 O SER A 210 0.728 -5.884 -3.373 1.00 0.00 O ATOM 338 CB SER A 210 -0.812 -4.062 -5.621 1.00 0.00 C ATOM 339 OG SER A 210 -1.731 -3.855 -6.680 1.00 0.00 O ATOM 0 H SER A 210 -2.988 -5.219 -5.529 1.00 0.00 H new ATOM 0 HA SER A 210 -0.403 -6.172 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 210 -0.970 -3.312 -4.846 1.00 0.00 H new ATOM 0 HB3 SER A 210 0.206 -3.932 -5.988 1.00 0.00 H new ATOM 0 HG SER A 210 -1.612 -2.953 -7.045 1.00 0.00 H new ATOM 345 N LEU A 211 -1.231 -5.048 -2.647 1.00 0.00 N ATOM 346 CA LEU A 211 -0.824 -5.017 -1.247 1.00 0.00 C ATOM 347 C LEU A 211 -0.731 -6.428 -0.675 1.00 0.00 C ATOM 348 O LEU A 211 0.104 -6.706 0.186 1.00 0.00 O ATOM 349 CB LEU A 211 -1.812 -4.186 -0.426 1.00 0.00 C ATOM 350 CG LEU A 211 -1.746 -4.370 1.090 1.00 0.00 C ATOM 351 CD1 LEU A 211 -0.331 -4.138 1.596 1.00 0.00 C ATOM 352 CD2 LEU A 211 -2.723 -3.431 1.784 1.00 0.00 C ATOM 0 H LEU A 211 -2.179 -4.712 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 211 0.162 -4.557 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.645 -3.133 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -2.822 -4.427 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 211 -2.029 -5.396 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.304 -4.274 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.346 -4.851 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -0.018 -3.123 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -2.663 -3.576 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -2.470 -2.399 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -3.737 -3.645 1.445 1.00 0.00 H new ATOM 364 N ILE A 212 -1.593 -7.316 -1.161 1.00 0.00 N ATOM 365 CA ILE A 212 -1.606 -8.698 -0.700 1.00 0.00 C ATOM 366 C ILE A 212 -0.267 -9.378 -0.964 1.00 0.00 C ATOM 367 O ILE A 212 0.164 -10.244 -0.202 1.00 0.00 O ATOM 368 CB ILE A 212 -2.723 -9.509 -1.383 1.00 0.00 C ATOM 369 CG1 ILE A 212 -4.054 -8.759 -1.294 1.00 0.00 C ATOM 370 CG2 ILE A 212 -2.842 -10.886 -0.749 1.00 0.00 C ATOM 371 CD1 ILE A 212 -5.229 -9.547 -1.830 1.00 0.00 C ATOM 0 H ILE A 212 -2.291 -7.102 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 212 -1.792 -8.670 0.374 1.00 0.00 H new ATOM 0 HB ILE A 212 -2.468 -9.636 -2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -4.246 -8.499 -0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -3.972 -7.823 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -3.636 -11.447 -1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -1.898 -11.420 -0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.078 -10.780 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -6.139 -8.954 -1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 212 -5.059 -9.785 -2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -5.337 -10.471 -1.262 1.00 0.00 H new ATOM 383 N VAL A 213 0.390 -8.979 -2.049 1.00 0.00 N ATOM 384 CA VAL A 213 1.682 -9.547 -2.413 1.00 0.00 C ATOM 385 C VAL A 213 2.805 -8.936 -1.582 1.00 0.00 C ATOM 386 O VAL A 213 3.937 -9.420 -1.597 1.00 0.00 O ATOM 387 CB VAL A 213 1.989 -9.333 -3.907 1.00 0.00 C ATOM 388 CG1 VAL A 213 3.233 -10.109 -4.314 1.00 0.00 C ATOM 389 CG2 VAL A 213 0.796 -9.739 -4.759 1.00 0.00 C ATOM 0 H VAL A 213 0.048 -8.264 -2.691 1.00 0.00 H new ATOM 0 HA VAL A 213 1.625 -10.617 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 213 2.181 -8.273 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 213 3.434 -9.945 -5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 213 4.084 -9.766 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 213 3.073 -11.172 -4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 213 1.030 -9.581 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 213 0.571 -10.792 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -0.069 -9.135 -4.485 1.00 0.00 H new ATOM 399 N HIS A 214 2.484 -7.869 -0.857 1.00 0.00 N ATOM 400 CA HIS A 214 3.465 -7.191 -0.018 1.00 0.00 C ATOM 401 C HIS A 214 3.413 -7.718 1.413 1.00 0.00 C ATOM 402 O HIS A 214 4.433 -7.776 2.101 1.00 0.00 O ATOM 403 CB HIS A 214 3.220 -5.682 -0.027 1.00 0.00 C ATOM 404 CG HIS A 214 3.718 -4.987 1.202 1.00 0.00 C ATOM 405 ND1 HIS A 214 5.033 -4.609 1.373 1.00 0.00 N ATOM 406 CD2 HIS A 214 3.068 -4.600 2.325 1.00 0.00 C ATOM 407 CE1 HIS A 214 5.170 -4.021 2.548 1.00 0.00 C ATOM 408 NE2 HIS A 214 3.993 -4.002 3.145 1.00 0.00 N ATOM 0 H HIS A 214 1.552 -7.455 -0.834 1.00 0.00 H new ATOM 0 HA HIS A 214 4.456 -7.393 -0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 214 3.706 -5.249 -0.901 1.00 0.00 H new ATOM 0 HB3 HIS A 214 2.151 -5.496 -0.131 1.00 0.00 H new ATOM 0 HD1 HIS A 214 5.783 -4.760 0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 214 2.018 -4.736 2.536 1.00 0.00 H new ATOM 0 HE1 HIS A 214 6.089 -3.623 2.952 1.00 0.00 H new ATOM 416 N ILE A 215 2.219 -8.100 1.854 1.00 0.00 N ATOM 417 CA ILE A 215 2.035 -8.622 3.203 1.00 0.00 C ATOM 418 C ILE A 215 2.940 -9.824 3.455 1.00 0.00 C ATOM 419 O ILE A 215 3.239 -10.158 4.602 1.00 0.00 O ATOM 420 CB ILE A 215 0.572 -9.034 3.452 1.00 0.00 C ATOM 421 CG1 ILE A 215 -0.358 -7.834 3.261 1.00 0.00 C ATOM 422 CG2 ILE A 215 0.417 -9.615 4.850 1.00 0.00 C ATOM 423 CD1 ILE A 215 -1.806 -8.219 3.053 1.00 0.00 C ATOM 0 H ILE A 215 1.365 -8.058 1.297 1.00 0.00 H new ATOM 0 HA ILE A 215 2.300 -7.820 3.891 1.00 0.00 H new ATOM 0 HB ILE A 215 0.297 -9.801 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.285 -7.185 4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 215 -0.018 -7.254 2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -0.622 -9.902 5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 215 1.056 -10.492 4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 215 0.706 -8.868 5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -2.407 -7.319 2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -1.892 -8.843 2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -2.163 -8.773 3.921 1.00 0.00 H new ATOM 435 N ARG A 216 3.374 -10.468 2.377 1.00 0.00 N ATOM 436 CA ARG A 216 4.246 -11.632 2.481 1.00 0.00 C ATOM 437 C ARG A 216 5.497 -11.303 3.291 1.00 0.00 C ATOM 438 O ARG A 216 6.109 -12.186 3.893 1.00 0.00 O ATOM 439 CB ARG A 216 4.641 -12.126 1.089 1.00 0.00 C ATOM 440 CG ARG A 216 3.455 -12.373 0.171 1.00 0.00 C ATOM 441 CD ARG A 216 3.898 -12.932 -1.173 1.00 0.00 C ATOM 442 NE ARG A 216 3.586 -14.352 -1.304 1.00 0.00 N ATOM 443 CZ ARG A 216 3.663 -15.018 -2.451 1.00 0.00 C ATOM 444 NH1 ARG A 216 4.040 -14.396 -3.559 1.00 0.00 N ATOM 445 NH2 ARG A 216 3.362 -16.310 -2.491 1.00 0.00 N ATOM 0 H ARG A 216 3.136 -10.203 1.421 1.00 0.00 H new ATOM 0 HA ARG A 216 3.698 -12.421 2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 216 5.301 -11.392 0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 216 5.211 -13.050 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 216 2.764 -13.070 0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 216 2.912 -11.441 0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 216 3.410 -12.378 -1.975 1.00 0.00 H new ATOM 0 HD3 ARG A 216 4.971 -12.784 -1.291 1.00 0.00 H new ATOM 0 HE ARG A 216 3.293 -14.860 -0.470 1.00 0.00 H new ATOM 0 HH11 ARG A 216 4.272 -13.403 -3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 216 4.098 -14.910 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 216 3.071 -16.792 -1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 216 3.421 -16.820 -3.372 1.00 0.00 H new ATOM 459 N VAL A 217 5.871 -10.028 3.300 1.00 0.00 N ATOM 460 CA VAL A 217 7.049 -9.582 4.036 1.00 0.00 C ATOM 461 C VAL A 217 6.726 -9.364 5.510 1.00 0.00 C ATOM 462 O VAL A 217 7.605 -9.448 6.368 1.00 0.00 O ATOM 463 CB VAL A 217 7.617 -8.278 3.447 1.00 0.00 C ATOM 464 CG1 VAL A 217 7.826 -8.415 1.947 1.00 0.00 C ATOM 465 CG2 VAL A 217 6.698 -7.107 3.761 1.00 0.00 C ATOM 0 H VAL A 217 5.376 -9.285 2.806 1.00 0.00 H new ATOM 0 HA VAL A 217 7.797 -10.369 3.944 1.00 0.00 H new ATOM 0 HB VAL A 217 8.586 -8.084 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 217 8.228 -7.483 1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 217 8.527 -9.226 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 217 6.873 -8.634 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 217 7.115 -6.193 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 217 5.714 -7.291 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 217 6.606 -6.996 4.841 1.00 0.00 H new ATOM 475 N HIS A 218 5.459 -9.083 5.797 1.00 0.00 N ATOM 476 CA HIS A 218 5.019 -8.854 7.169 1.00 0.00 C ATOM 477 C HIS A 218 4.404 -10.119 7.761 1.00 0.00 C ATOM 478 O HIS A 218 5.020 -10.793 8.587 1.00 0.00 O ATOM 479 CB HIS A 218 4.005 -7.710 7.217 1.00 0.00 C ATOM 480 CG HIS A 218 4.579 -6.385 6.820 1.00 0.00 C ATOM 481 ND1 HIS A 218 5.637 -5.795 7.480 1.00 0.00 N ATOM 482 CD2 HIS A 218 4.237 -5.534 5.824 1.00 0.00 C ATOM 483 CE1 HIS A 218 5.920 -4.638 6.907 1.00 0.00 C ATOM 484 NE2 HIS A 218 5.085 -4.457 5.899 1.00 0.00 N ATOM 0 H HIS A 218 4.719 -9.008 5.099 1.00 0.00 H new ATOM 0 HA HIS A 218 5.891 -8.583 7.764 1.00 0.00 H new ATOM 0 HB2 HIS A 218 3.170 -7.947 6.558 1.00 0.00 H new ATOM 0 HB3 HIS A 218 3.602 -7.634 8.227 1.00 0.00 H new ATOM 0 HD1 HIS A 218 6.125 -6.190 8.284 1.00 0.00 H new ATOM 0 HD2 HIS A 218 3.444 -5.676 5.104 1.00 0.00 H new ATOM 0 HE1 HIS A 218 6.701 -3.957 7.211 1.00 0.00 H new ATOM 492 N THR A 219 3.186 -10.435 7.334 1.00 0.00 N ATOM 493 CA THR A 219 2.488 -11.617 7.823 1.00 0.00 C ATOM 494 C THR A 219 2.476 -12.723 6.774 1.00 0.00 C ATOM 495 O THR A 219 2.503 -12.453 5.573 1.00 0.00 O ATOM 496 CB THR A 219 1.036 -11.288 8.221 1.00 0.00 C ATOM 497 OG1 THR A 219 0.918 -9.895 8.532 1.00 0.00 O ATOM 498 CG2 THR A 219 0.602 -12.119 9.418 1.00 0.00 C ATOM 0 H THR A 219 2.662 -9.889 6.650 1.00 0.00 H new ATOM 0 HA THR A 219 3.030 -11.961 8.704 1.00 0.00 H new ATOM 0 HB THR A 219 0.387 -11.528 7.378 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.008 -9.693 8.782 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.426 -11.870 9.681 1.00 0.00 H new ATOM 0 HG22 THR A 219 0.666 -13.178 9.168 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.255 -11.906 10.265 1.00 0.00 H new ATOM 506 N GLY A 220 2.436 -13.969 7.234 1.00 0.00 N ATOM 507 CA GLY A 220 2.421 -15.097 6.321 1.00 0.00 C ATOM 508 C GLY A 220 1.345 -14.971 5.261 1.00 0.00 C ATOM 509 O GLY A 220 0.167 -15.198 5.534 1.00 0.00 O ATOM 0 H GLY A 220 2.414 -14.218 8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 220 3.394 -15.182 5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.264 -16.016 6.886 1.00 0.00 H new ATOM 513 N SER A 221 1.751 -14.607 4.049 1.00 0.00 N ATOM 514 CA SER A 221 0.811 -14.445 2.945 1.00 0.00 C ATOM 515 C SER A 221 1.199 -15.335 1.768 1.00 0.00 C ATOM 516 O SER A 221 2.377 -15.607 1.542 1.00 0.00 O ATOM 517 CB SER A 221 0.762 -12.983 2.500 1.00 0.00 C ATOM 518 OG SER A 221 0.289 -12.871 1.168 1.00 0.00 O ATOM 0 H SER A 221 2.724 -14.419 3.806 1.00 0.00 H new ATOM 0 HA SER A 221 -0.178 -14.744 3.294 1.00 0.00 H new ATOM 0 HB2 SER A 221 0.113 -12.418 3.169 1.00 0.00 H new ATOM 0 HB3 SER A 221 1.757 -12.543 2.574 1.00 0.00 H new ATOM 0 HG SER A 221 -0.312 -12.100 1.098 1.00 0.00 H new ATOM 524 N GLY A 222 0.196 -15.786 1.020 1.00 0.00 N ATOM 525 CA GLY A 222 0.451 -16.640 -0.126 1.00 0.00 C ATOM 526 C GLY A 222 0.844 -18.047 0.277 1.00 0.00 C ATOM 527 O GLY A 222 1.047 -18.346 1.454 1.00 0.00 O ATOM 0 H GLY A 222 -0.788 -15.575 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -0.441 -16.680 -0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 222 1.245 -16.203 -0.731 1.00 0.00 H new ATOM 531 N PRO A 223 0.956 -18.942 -0.716 1.00 0.00 N ATOM 532 CA PRO A 223 1.327 -20.341 -0.484 1.00 0.00 C ATOM 533 C PRO A 223 2.782 -20.491 -0.054 1.00 0.00 C ATOM 534 O PRO A 223 3.687 -20.520 -0.889 1.00 0.00 O ATOM 535 CB PRO A 223 1.102 -20.999 -1.848 1.00 0.00 C ATOM 536 CG PRO A 223 1.245 -19.889 -2.832 1.00 0.00 C ATOM 537 CD PRO A 223 0.729 -18.656 -2.143 1.00 0.00 C ATOM 0 HA PRO A 223 0.745 -20.789 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 223 1.831 -21.788 -2.032 1.00 0.00 H new ATOM 0 HB3 PRO A 223 0.115 -21.457 -1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 223 2.286 -19.763 -3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 223 0.677 -20.096 -3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 223 1.265 -17.763 -2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 223 -0.327 -18.489 -2.356 1.00 0.00 H new ATOM 545 N SER A 224 3.001 -20.586 1.254 1.00 0.00 N ATOM 546 CA SER A 224 4.348 -20.729 1.795 1.00 0.00 C ATOM 547 C SER A 224 4.508 -22.070 2.504 1.00 0.00 C ATOM 548 O SER A 224 3.524 -22.731 2.837 1.00 0.00 O ATOM 549 CB SER A 224 4.655 -19.587 2.765 1.00 0.00 C ATOM 550 OG SER A 224 5.064 -18.422 2.068 1.00 0.00 O ATOM 0 H SER A 224 2.263 -20.567 1.958 1.00 0.00 H new ATOM 0 HA SER A 224 5.053 -20.690 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 224 3.771 -19.366 3.363 1.00 0.00 H new ATOM 0 HB3 SER A 224 5.439 -19.894 3.457 1.00 0.00 H new ATOM 0 HG SER A 224 5.253 -17.706 2.710 1.00 0.00 H new ATOM 556 N SER A 225 5.756 -22.467 2.732 1.00 0.00 N ATOM 557 CA SER A 225 6.047 -23.731 3.399 1.00 0.00 C ATOM 558 C SER A 225 7.387 -23.666 4.124 1.00 0.00 C ATOM 559 O SER A 225 7.517 -24.133 5.255 1.00 0.00 O ATOM 560 CB SER A 225 6.058 -24.876 2.384 1.00 0.00 C ATOM 561 OG SER A 225 5.797 -26.118 3.014 1.00 0.00 O ATOM 0 H SER A 225 6.582 -21.932 2.465 1.00 0.00 H new ATOM 0 HA SER A 225 5.264 -23.915 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 225 5.309 -24.691 1.614 1.00 0.00 H new ATOM 0 HB3 SER A 225 7.026 -24.914 1.885 1.00 0.00 H new ATOM 0 HG SER A 225 5.808 -26.833 2.344 1.00 0.00 H new ATOM 567 N GLY A 226 8.384 -23.084 3.464 1.00 0.00 N ATOM 568 CA GLY A 226 9.702 -22.969 4.060 1.00 0.00 C ATOM 569 C GLY A 226 10.030 -21.547 4.471 1.00 0.00 C ATOM 570 O GLY A 226 9.391 -20.618 3.978 1.00 0.00 O ATOM 0 H GLY A 226 8.302 -22.690 2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 226 9.761 -23.619 4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 226 10.451 -23.321 3.350 1.00 0.00 H new TER 574 GLY A 226 HETATM 575 ZN ZN A 301 4.039 -3.165 4.845 1.00 0.00 ZN