USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 375 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 Set 1.1: A 221 CYS SG : rot 90:sc= 0.228 USER MOD Set 1.2: A 223 ASN : amide:sc=-0.00187 K(o=-4.5,f=-6.9!) USER MOD Set 1.3: A 225 CYS SG : rot -80:sc= -2.22! USER MOD Set 1.4: A 238 HIS : no HD1:sc= -3.32! C(o=-4.5!,f=-12!) USER MOD Set 1.5: A 242 SER OG : rot -129:sc= 1.24 USER MOD Set 1.6: A 243 CYS SG : rot 109:sc= -0.448 USER MOD Set 2.1: A 195 CYS SG : rot 156:sc= -0.36 USER MOD Set 2.2: A 198 CYS SG : rot -124:sc= -2.51 USER MOD Set 2.3: A 210 HIS : no HE2:sc= 0.238 K(o=-2.4,f=-4) USER MOD Set 2.4: A 214 CYS SG : rot 152:sc= 0.192 USER MOD Single : A 192 THR OG1 : rot -36:sc= 0.0884 USER MOD Single : A 193 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.84) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 180:sc= 0 USER MOD Single : A 199 THR OG1 : rot 17:sc= 0.535 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot -40:sc= 1.09 USER MOD Single : A 208 GLN : amide:sc=-0.00127 X(o=-0.0013,f=-0.087) USER MOD Single : A 209 SER OG : rot 180:sc= 0 USER MOD Single : A 211 GLN : amide:sc= -0.0011 K(o=-0.0011,f=-1.2) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= -0.0711 K(o=-0.071,f=-0.9) USER MOD Single : A 224 GLN : amide:sc= -0.772 K(o=-0.77,f=-1.8!) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 192 -16.914 -9.407 6.564 1.00 0.00 N ATOM 113 CA THR A 192 -15.640 -8.704 6.482 1.00 0.00 C ATOM 114 C THR A 192 -14.872 -8.802 7.795 1.00 0.00 C ATOM 115 O THR A 192 -15.469 -8.889 8.868 1.00 0.00 O ATOM 116 CB THR A 192 -15.840 -7.218 6.127 1.00 0.00 C ATOM 117 OG1 THR A 192 -16.707 -6.599 7.085 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.429 -7.070 4.732 1.00 0.00 C ATOM 0 HA THR A 192 -15.064 -9.185 5.691 1.00 0.00 H new ATOM 0 HB THR A 192 -14.867 -6.727 6.147 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.399 -7.236 7.360 1.00 0.00 H new ATOM 0 HG21 THR A 192 -16.561 -6.013 4.503 1.00 0.00 H new ATOM 0 HG22 THR A 192 -15.754 -7.517 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.395 -7.574 4.689 1.00 0.00 H new ATOM 126 N GLN A 193 -13.546 -8.786 7.703 1.00 0.00 N ATOM 127 CA GLN A 193 -12.698 -8.873 8.885 1.00 0.00 C ATOM 128 C GLN A 193 -11.792 -7.651 8.997 1.00 0.00 C ATOM 129 O GLN A 193 -10.978 -7.369 8.117 1.00 0.00 O ATOM 130 CB GLN A 193 -11.852 -10.147 8.839 1.00 0.00 C ATOM 131 CG GLN A 193 -12.673 -11.417 8.692 1.00 0.00 C ATOM 132 CD GLN A 193 -11.956 -12.641 9.229 1.00 0.00 C ATOM 133 OE1 GLN A 193 -11.294 -12.581 10.265 1.00 0.00 O ATOM 134 NE2 GLN A 193 -12.084 -13.759 8.525 1.00 0.00 N ATOM 0 H GLN A 193 -13.036 -8.714 6.822 1.00 0.00 H new ATOM 0 HA GLN A 193 -13.344 -8.905 9.762 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -11.152 -10.078 8.006 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -11.258 -10.212 9.751 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -13.620 -11.296 9.218 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -12.910 -11.572 7.639 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -12.643 -13.763 7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -11.624 -14.614 8.837 1.00 0.00 H new ATOM 143 N PRO A 194 -11.935 -6.907 10.103 1.00 0.00 N ATOM 144 CA PRO A 194 -11.138 -5.702 10.356 1.00 0.00 C ATOM 145 C PRO A 194 -9.676 -6.025 10.643 1.00 0.00 C ATOM 146 O PRO A 194 -9.324 -6.423 11.754 1.00 0.00 O ATOM 147 CB PRO A 194 -11.804 -5.090 11.591 1.00 0.00 C ATOM 148 CG PRO A 194 -12.454 -6.239 12.281 1.00 0.00 C ATOM 149 CD PRO A 194 -12.886 -7.184 11.193 1.00 0.00 C ATOM 0 HA PRO A 194 -11.118 -5.037 9.493 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -11.072 -4.604 12.236 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -12.535 -4.331 11.311 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -11.761 -6.725 12.968 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -13.308 -5.907 12.872 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -12.833 -8.223 11.519 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -13.915 -6.999 10.885 1.00 0.00 H new ATOM 157 N CYS A 195 -8.827 -5.849 9.636 1.00 0.00 N ATOM 158 CA CYS A 195 -7.402 -6.121 9.780 1.00 0.00 C ATOM 159 C CYS A 195 -6.835 -5.413 11.007 1.00 0.00 C ATOM 160 O CYS A 195 -6.883 -4.187 11.109 1.00 0.00 O ATOM 161 CB CYS A 195 -6.647 -5.675 8.526 1.00 0.00 C ATOM 162 SG CYS A 195 -4.992 -6.416 8.352 1.00 0.00 S ATOM 0 H CYS A 195 -9.102 -5.519 8.711 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.274 -7.196 9.910 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.241 -5.928 7.648 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -6.548 -4.590 8.541 1.00 0.00 H new ATOM 0 HG CYS A 195 -4.643 -6.409 7.100 1.00 0.00 H new ATOM 167 N THR A 196 -6.296 -6.195 11.938 1.00 0.00 N ATOM 168 CA THR A 196 -5.720 -5.645 13.158 1.00 0.00 C ATOM 169 C THR A 196 -4.401 -4.936 12.873 1.00 0.00 C ATOM 170 O THR A 196 -3.750 -4.424 13.784 1.00 0.00 O ATOM 171 CB THR A 196 -5.482 -6.743 14.212 1.00 0.00 C ATOM 172 OG1 THR A 196 -6.625 -7.600 14.293 1.00 0.00 O ATOM 173 CG2 THR A 196 -5.202 -6.132 15.577 1.00 0.00 C ATOM 0 H THR A 196 -6.247 -7.212 11.870 1.00 0.00 H new ATOM 0 HA THR A 196 -6.439 -4.925 13.550 1.00 0.00 H new ATOM 0 HB THR A 196 -4.613 -7.326 13.907 1.00 0.00 H new ATOM 0 HG1 THR A 196 -6.465 -8.296 14.964 1.00 0.00 H new ATOM 0 HG21 THR A 196 -5.037 -6.927 16.305 1.00 0.00 H new ATOM 0 HG22 THR A 196 -4.313 -5.503 15.519 1.00 0.00 H new ATOM 0 HG23 THR A 196 -6.054 -5.528 15.887 1.00 0.00 H new ATOM 181 N TYR A 197 -4.012 -4.908 11.603 1.00 0.00 N ATOM 182 CA TYR A 197 -2.769 -4.263 11.198 1.00 0.00 C ATOM 183 C TYR A 197 -3.035 -2.864 10.649 1.00 0.00 C ATOM 184 O TYR A 197 -2.508 -1.874 11.157 1.00 0.00 O ATOM 185 CB TYR A 197 -2.051 -5.108 10.144 1.00 0.00 C ATOM 186 CG TYR A 197 -1.494 -6.405 10.686 1.00 0.00 C ATOM 187 CD1 TYR A 197 -2.306 -7.298 11.376 1.00 0.00 C ATOM 188 CD2 TYR A 197 -0.157 -6.738 10.509 1.00 0.00 C ATOM 189 CE1 TYR A 197 -1.802 -8.484 11.873 1.00 0.00 C ATOM 190 CE2 TYR A 197 0.355 -7.923 11.001 1.00 0.00 C ATOM 191 CZ TYR A 197 -0.471 -8.792 11.683 1.00 0.00 C ATOM 192 OH TYR A 197 0.036 -9.973 12.176 1.00 0.00 O ATOM 0 H TYR A 197 -4.540 -5.325 10.836 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.132 -4.174 12.078 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.745 -5.331 9.334 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.237 -4.524 9.715 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -3.349 -7.060 11.526 1.00 0.00 H new ATOM 0 HD2 TYR A 197 0.493 -6.059 9.978 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -2.446 -9.166 12.407 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.396 -8.168 10.852 1.00 0.00 H new ATOM 0 HH TYR A 197 0.989 -10.037 11.956 1.00 0.00 H new ATOM 202 N CYS A 198 -3.858 -2.791 9.608 1.00 0.00 N ATOM 203 CA CYS A 198 -4.196 -1.516 8.988 1.00 0.00 C ATOM 204 C CYS A 198 -5.534 -0.996 9.507 1.00 0.00 C ATOM 205 O CYS A 198 -6.028 0.038 9.057 1.00 0.00 O ATOM 206 CB CYS A 198 -4.250 -1.663 7.466 1.00 0.00 C ATOM 207 SG CYS A 198 -5.361 -2.985 6.886 1.00 0.00 S ATOM 0 H CYS A 198 -4.303 -3.601 9.176 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.420 -0.797 9.250 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.571 -0.716 7.031 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.244 -1.859 7.095 1.00 0.00 H new ATOM 0 HG CYS A 198 -4.695 -3.816 6.141 1.00 0.00 H new ATOM 212 N THR A 199 -6.115 -1.721 10.458 1.00 0.00 N ATOM 213 CA THR A 199 -7.394 -1.335 11.039 1.00 0.00 C ATOM 214 C THR A 199 -8.403 -0.971 9.955 1.00 0.00 C ATOM 215 O THR A 199 -9.210 -0.057 10.125 1.00 0.00 O ATOM 216 CB THR A 199 -7.238 -0.141 12.000 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.629 0.961 11.318 1.00 0.00 O ATOM 218 CG2 THR A 199 -6.395 -0.525 13.207 1.00 0.00 C ATOM 0 H THR A 199 -5.719 -2.579 10.842 1.00 0.00 H new ATOM 0 HA THR A 199 -7.759 -2.196 11.598 1.00 0.00 H new ATOM 0 HB THR A 199 -8.230 0.150 12.346 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.694 0.823 10.350 1.00 0.00 H new ATOM 0 HG21 THR A 199 -6.298 0.334 13.871 1.00 0.00 H new ATOM 0 HG22 THR A 199 -6.876 -1.345 13.741 1.00 0.00 H new ATOM 0 HG23 THR A 199 -5.406 -0.840 12.875 1.00 0.00 H new ATOM 226 N LYS A 200 -8.351 -1.691 8.840 1.00 0.00 N ATOM 227 CA LYS A 200 -9.261 -1.446 7.727 1.00 0.00 C ATOM 228 C LYS A 200 -10.214 -2.621 7.535 1.00 0.00 C ATOM 229 O LYS A 200 -9.852 -3.771 7.781 1.00 0.00 O ATOM 230 CB LYS A 200 -8.471 -1.200 6.440 1.00 0.00 C ATOM 231 CG LYS A 200 -7.845 0.182 6.365 1.00 0.00 C ATOM 232 CD LYS A 200 -7.068 0.373 5.074 1.00 0.00 C ATOM 233 CE LYS A 200 -7.969 0.859 3.948 1.00 0.00 C ATOM 234 NZ LYS A 200 -7.196 1.546 2.876 1.00 0.00 N ATOM 0 H LYS A 200 -7.688 -2.450 8.683 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.849 -0.558 7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -7.685 -1.951 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.134 -1.336 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -8.625 0.940 6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -7.180 0.328 7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -6.265 1.092 5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -6.600 -0.569 4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -8.507 0.012 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -8.717 1.542 4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -7.846 1.862 2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -6.703 2.369 3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -6.499 0.887 2.474 1.00 0.00 H new ATOM 248 N GLU A 201 -11.431 -2.324 7.092 1.00 0.00 N ATOM 249 CA GLU A 201 -12.435 -3.357 6.866 1.00 0.00 C ATOM 250 C GLU A 201 -12.292 -3.959 5.470 1.00 0.00 C ATOM 251 O GLU A 201 -12.403 -3.256 4.465 1.00 0.00 O ATOM 252 CB GLU A 201 -13.841 -2.782 7.043 1.00 0.00 C ATOM 253 CG GLU A 201 -14.066 -2.130 8.398 1.00 0.00 C ATOM 254 CD GLU A 201 -15.536 -1.935 8.714 1.00 0.00 C ATOM 255 OE1 GLU A 201 -16.261 -1.396 7.852 1.00 0.00 O ATOM 256 OE2 GLU A 201 -15.961 -2.319 9.824 1.00 0.00 O ATOM 0 H GLU A 201 -11.746 -1.377 6.882 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.278 -4.146 7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -14.025 -2.046 6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.571 -3.580 6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -13.610 -2.745 9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -13.562 -1.164 8.420 1.00 0.00 H new ATOM 263 N PHE A 202 -12.045 -5.263 5.417 1.00 0.00 N ATOM 264 CA PHE A 202 -11.885 -5.960 4.146 1.00 0.00 C ATOM 265 C PHE A 202 -12.704 -7.247 4.125 1.00 0.00 C ATOM 266 O PHE A 202 -13.180 -7.711 5.161 1.00 0.00 O ATOM 267 CB PHE A 202 -10.409 -6.276 3.896 1.00 0.00 C ATOM 268 CG PHE A 202 -9.605 -5.083 3.465 1.00 0.00 C ATOM 269 CD1 PHE A 202 -9.719 -4.582 2.179 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.735 -4.463 4.347 1.00 0.00 C ATOM 271 CE1 PHE A 202 -8.979 -3.484 1.780 1.00 0.00 C ATOM 272 CE2 PHE A 202 -7.992 -3.365 3.954 1.00 0.00 C ATOM 273 CZ PHE A 202 -8.116 -2.875 2.669 1.00 0.00 C ATOM 0 H PHE A 202 -11.951 -5.859 6.239 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.248 -5.306 3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -9.974 -6.687 4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.336 -7.049 3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -10.393 -5.054 1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.636 -4.842 5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -9.076 -3.103 0.774 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.316 -2.892 4.651 1.00 0.00 H new ATOM 0 HZ PHE A 202 -7.539 -2.016 2.360 1.00 0.00 H new ATOM 283 N VAL A 203 -12.864 -7.820 2.936 1.00 0.00 N ATOM 284 CA VAL A 203 -13.624 -9.054 2.778 1.00 0.00 C ATOM 285 C VAL A 203 -12.871 -10.243 3.364 1.00 0.00 C ATOM 286 O VAL A 203 -11.642 -10.299 3.313 1.00 0.00 O ATOM 287 CB VAL A 203 -13.934 -9.337 1.296 1.00 0.00 C ATOM 288 CG1 VAL A 203 -14.902 -10.503 1.166 1.00 0.00 C ATOM 289 CG2 VAL A 203 -14.491 -8.092 0.622 1.00 0.00 C ATOM 0 H VAL A 203 -12.477 -7.449 2.068 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.561 -8.919 3.318 1.00 0.00 H new ATOM 0 HB VAL A 203 -13.006 -9.610 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -15.109 -10.688 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -14.460 -11.394 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -15.832 -10.263 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -14.705 -8.309 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -15.409 -7.786 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -13.759 -7.287 0.683 1.00 0.00 H new ATOM 299 N PHE A 204 -13.615 -11.192 3.921 1.00 0.00 N ATOM 300 CA PHE A 204 -13.018 -12.380 4.518 1.00 0.00 C ATOM 301 C PHE A 204 -12.253 -13.188 3.474 1.00 0.00 C ATOM 302 O PHE A 204 -11.259 -13.844 3.786 1.00 0.00 O ATOM 303 CB PHE A 204 -14.098 -13.252 5.162 1.00 0.00 C ATOM 304 CG PHE A 204 -14.643 -14.308 4.243 1.00 0.00 C ATOM 305 CD1 PHE A 204 -13.944 -15.485 4.028 1.00 0.00 C ATOM 306 CD2 PHE A 204 -15.853 -14.124 3.595 1.00 0.00 C ATOM 307 CE1 PHE A 204 -14.442 -16.458 3.182 1.00 0.00 C ATOM 308 CE2 PHE A 204 -16.357 -15.094 2.749 1.00 0.00 C ATOM 309 CZ PHE A 204 -15.651 -16.263 2.543 1.00 0.00 C ATOM 0 H PHE A 204 -14.633 -11.161 3.971 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.317 -12.055 5.287 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -13.685 -13.732 6.049 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -14.917 -12.615 5.496 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -12.999 -15.644 4.527 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -16.409 -13.212 3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -13.886 -17.370 3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -17.302 -14.938 2.250 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.043 -17.023 1.884 1.00 0.00 H new ATOM 319 N ASP A 205 -12.724 -13.135 2.233 1.00 0.00 N ATOM 320 CA ASP A 205 -12.085 -13.860 1.141 1.00 0.00 C ATOM 321 C ASP A 205 -10.782 -13.183 0.727 1.00 0.00 C ATOM 322 O ASP A 205 -9.836 -13.842 0.295 1.00 0.00 O ATOM 323 CB ASP A 205 -13.029 -13.954 -0.059 1.00 0.00 C ATOM 324 CG ASP A 205 -12.680 -15.105 -0.981 1.00 0.00 C ATOM 325 OD1 ASP A 205 -11.692 -14.984 -1.734 1.00 0.00 O ATOM 326 OD2 ASP A 205 -13.397 -16.128 -0.951 1.00 0.00 O ATOM 0 H ASP A 205 -13.546 -12.597 1.958 1.00 0.00 H new ATOM 0 HA ASP A 205 -11.855 -14.866 1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.052 -14.074 0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -12.994 -13.020 -0.619 1.00 0.00 H new ATOM 331 N THR A 206 -10.740 -11.861 0.862 1.00 0.00 N ATOM 332 CA THR A 206 -9.555 -11.093 0.500 1.00 0.00 C ATOM 333 C THR A 206 -8.530 -11.100 1.629 1.00 0.00 C ATOM 334 O THR A 206 -7.328 -11.212 1.387 1.00 0.00 O ATOM 335 CB THR A 206 -9.913 -9.635 0.156 1.00 0.00 C ATOM 336 OG1 THR A 206 -10.283 -8.928 1.345 1.00 0.00 O ATOM 337 CG2 THR A 206 -11.054 -9.581 -0.848 1.00 0.00 C ATOM 0 H THR A 206 -11.513 -11.300 1.219 1.00 0.00 H new ATOM 0 HA THR A 206 -9.126 -11.571 -0.381 1.00 0.00 H new ATOM 0 HB THR A 206 -9.036 -9.164 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 206 -10.826 -9.510 1.916 1.00 0.00 H new ATOM 0 HG21 THR A 206 -11.289 -8.541 -1.076 1.00 0.00 H new ATOM 0 HG22 THR A 206 -10.758 -10.095 -1.763 1.00 0.00 H new ATOM 0 HG23 THR A 206 -11.933 -10.068 -0.426 1.00 0.00 H new ATOM 345 N ILE A 207 -9.013 -10.981 2.861 1.00 0.00 N ATOM 346 CA ILE A 207 -8.138 -10.976 4.026 1.00 0.00 C ATOM 347 C ILE A 207 -7.059 -12.048 3.909 1.00 0.00 C ATOM 348 O ILE A 207 -6.007 -11.954 4.540 1.00 0.00 O ATOM 349 CB ILE A 207 -8.931 -11.201 5.327 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.089 -10.798 6.540 1.00 0.00 C ATOM 351 CG2 ILE A 207 -9.366 -12.655 5.437 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.221 -9.337 6.909 1.00 0.00 C ATOM 0 H ILE A 207 -10.005 -10.887 3.078 1.00 0.00 H new ATOM 0 HA ILE A 207 -7.667 -9.993 4.062 1.00 0.00 H new ATOM 0 HB ILE A 207 -9.823 -10.575 5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -8.382 -11.408 7.394 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.042 -11.019 6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -9.925 -12.799 6.362 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -9.998 -12.911 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -8.486 -13.299 5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -7.597 -9.123 7.777 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -7.900 -8.719 6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.261 -9.114 7.146 1.00 0.00 H new ATOM 364 N GLN A 208 -7.329 -13.064 3.097 1.00 0.00 N ATOM 365 CA GLN A 208 -6.381 -14.154 2.896 1.00 0.00 C ATOM 366 C GLN A 208 -5.143 -13.667 2.151 1.00 0.00 C ATOM 367 O GLN A 208 -4.014 -13.910 2.577 1.00 0.00 O ATOM 368 CB GLN A 208 -7.041 -15.296 2.123 1.00 0.00 C ATOM 369 CG GLN A 208 -7.723 -16.321 3.015 1.00 0.00 C ATOM 370 CD GLN A 208 -7.905 -17.661 2.331 1.00 0.00 C ATOM 371 OE1 GLN A 208 -6.941 -18.270 1.866 1.00 0.00 O ATOM 372 NE2 GLN A 208 -9.146 -18.129 2.265 1.00 0.00 N ATOM 0 H GLN A 208 -8.196 -13.156 2.567 1.00 0.00 H new ATOM 0 HA GLN A 208 -6.073 -14.520 3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -7.776 -14.880 1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -6.286 -15.798 1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -7.134 -16.457 3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -8.697 -15.939 3.322 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -9.916 -17.591 2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -9.330 -19.026 1.816 1.00 0.00 H new ATOM 381 N SER A 209 -5.362 -12.979 1.035 1.00 0.00 N ATOM 382 CA SER A 209 -4.264 -12.462 0.227 1.00 0.00 C ATOM 383 C SER A 209 -3.809 -11.099 0.738 1.00 0.00 C ATOM 384 O SER A 209 -2.612 -10.818 0.811 1.00 0.00 O ATOM 385 CB SER A 209 -4.688 -12.354 -1.239 1.00 0.00 C ATOM 386 OG SER A 209 -3.582 -12.540 -2.105 1.00 0.00 O ATOM 0 H SER A 209 -6.290 -12.767 0.670 1.00 0.00 H new ATOM 0 HA SER A 209 -3.429 -13.158 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 209 -5.453 -13.100 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 209 -5.135 -11.377 -1.420 1.00 0.00 H new ATOM 0 HG SER A 209 -3.880 -12.468 -3.036 1.00 0.00 H new ATOM 392 N HIS A 210 -4.772 -10.254 1.091 1.00 0.00 N ATOM 393 CA HIS A 210 -4.472 -8.919 1.597 1.00 0.00 C ATOM 394 C HIS A 210 -3.274 -8.953 2.541 1.00 0.00 C ATOM 395 O HIS A 210 -2.315 -8.200 2.369 1.00 0.00 O ATOM 396 CB HIS A 210 -5.688 -8.338 2.318 1.00 0.00 C ATOM 397 CG HIS A 210 -5.357 -7.194 3.225 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.073 -5.925 2.765 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.266 -7.131 4.574 1.00 0.00 C ATOM 400 CE1 HIS A 210 -4.821 -5.133 3.791 1.00 0.00 C ATOM 401 NE2 HIS A 210 -4.931 -5.840 4.901 1.00 0.00 N ATOM 0 H HIS A 210 -5.767 -10.470 1.036 1.00 0.00 H new ATOM 0 HA HIS A 210 -4.225 -8.282 0.747 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.414 -8.005 1.577 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.165 -9.126 2.900 1.00 0.00 H new ATOM 0 HD1 HIS A 210 -5.060 -5.642 1.785 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.427 -7.945 5.265 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.568 -4.085 3.732 1.00 0.00 H new ATOM 409 N GLN A 211 -3.337 -9.829 3.538 1.00 0.00 N ATOM 410 CA GLN A 211 -2.258 -9.958 4.510 1.00 0.00 C ATOM 411 C GLN A 211 -0.906 -9.674 3.864 1.00 0.00 C ATOM 412 O GLN A 211 -0.052 -9.012 4.454 1.00 0.00 O ATOM 413 CB GLN A 211 -2.260 -11.361 5.122 1.00 0.00 C ATOM 414 CG GLN A 211 -3.213 -11.511 6.296 1.00 0.00 C ATOM 415 CD GLN A 211 -3.028 -12.823 7.034 1.00 0.00 C ATOM 416 OE1 GLN A 211 -2.158 -13.624 6.691 1.00 0.00 O ATOM 417 NE2 GLN A 211 -3.847 -13.049 8.054 1.00 0.00 N ATOM 0 H GLN A 211 -4.123 -10.460 3.694 1.00 0.00 H new ATOM 0 HA GLN A 211 -2.424 -9.224 5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -2.529 -12.084 4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -1.250 -11.606 5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -3.062 -10.684 6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.240 -11.442 5.937 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.554 -12.357 8.303 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -3.769 -13.914 8.588 1.00 0.00 H new ATOM 426 N TYR A 212 -0.719 -10.179 2.650 1.00 0.00 N ATOM 427 CA TYR A 212 0.530 -9.981 1.924 1.00 0.00 C ATOM 428 C TYR A 212 0.714 -8.515 1.544 1.00 0.00 C ATOM 429 O TYR A 212 1.767 -7.927 1.787 1.00 0.00 O ATOM 430 CB TYR A 212 0.558 -10.853 0.667 1.00 0.00 C ATOM 431 CG TYR A 212 1.101 -12.243 0.907 1.00 0.00 C ATOM 432 CD1 TYR A 212 0.410 -13.155 1.695 1.00 0.00 C ATOM 433 CD2 TYR A 212 2.306 -12.646 0.343 1.00 0.00 C ATOM 434 CE1 TYR A 212 0.903 -14.426 1.917 1.00 0.00 C ATOM 435 CE2 TYR A 212 2.806 -13.916 0.558 1.00 0.00 C ATOM 436 CZ TYR A 212 2.101 -14.802 1.346 1.00 0.00 C ATOM 437 OH TYR A 212 2.595 -16.068 1.564 1.00 0.00 O ATOM 0 H TYR A 212 -1.416 -10.729 2.148 1.00 0.00 H new ATOM 0 HA TYR A 212 1.351 -10.273 2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.453 -10.931 0.266 1.00 0.00 H new ATOM 0 HB3 TYR A 212 1.165 -10.361 -0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -0.529 -12.865 2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 212 2.861 -11.955 -0.274 1.00 0.00 H new ATOM 0 HE1 TYR A 212 0.354 -15.121 2.534 1.00 0.00 H new ATOM 0 HE2 TYR A 212 3.743 -14.213 0.112 1.00 0.00 H new ATOM 0 HH TYR A 212 3.447 -16.173 1.090 1.00 0.00 H new ATOM 447 N GLN A 213 -0.320 -7.932 0.947 1.00 0.00 N ATOM 448 CA GLN A 213 -0.274 -6.534 0.532 1.00 0.00 C ATOM 449 C GLN A 213 -0.133 -5.613 1.740 1.00 0.00 C ATOM 450 O GLN A 213 0.705 -4.711 1.752 1.00 0.00 O ATOM 451 CB GLN A 213 -1.534 -6.172 -0.256 1.00 0.00 C ATOM 452 CG GLN A 213 -1.660 -6.916 -1.576 1.00 0.00 C ATOM 453 CD GLN A 213 -2.456 -6.142 -2.608 1.00 0.00 C ATOM 454 OE1 GLN A 213 -2.340 -4.921 -2.711 1.00 0.00 O ATOM 455 NE2 GLN A 213 -3.272 -6.851 -3.380 1.00 0.00 N ATOM 0 H GLN A 213 -1.200 -8.405 0.740 1.00 0.00 H new ATOM 0 HA GLN A 213 0.597 -6.399 -0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.410 -6.385 0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.535 -5.100 -0.451 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -0.664 -7.121 -1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -2.139 -7.880 -1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -3.337 -7.862 -3.260 1.00 0.00 H new ATOM 0 HE22 GLN A 213 -3.833 -6.385 -4.092 1.00 0.00 H new ATOM 464 N CYS A 214 -0.959 -5.845 2.754 1.00 0.00 N ATOM 465 CA CYS A 214 -0.928 -5.037 3.967 1.00 0.00 C ATOM 466 C CYS A 214 0.495 -4.587 4.285 1.00 0.00 C ATOM 467 O CYS A 214 1.385 -5.397 4.544 1.00 0.00 O ATOM 468 CB CYS A 214 -1.501 -5.826 5.146 1.00 0.00 C ATOM 469 SG CYS A 214 -1.996 -4.792 6.562 1.00 0.00 S ATOM 0 H CYS A 214 -1.659 -6.587 2.760 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.541 -4.152 3.799 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.367 -6.393 4.804 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.758 -6.550 5.481 1.00 0.00 H new ATOM 0 HG CYS A 214 -2.954 -5.380 7.215 1.00 0.00 H new ATOM 474 N PRO A 215 0.716 -3.264 4.265 1.00 0.00 N ATOM 475 CA PRO A 215 2.028 -2.676 4.550 1.00 0.00 C ATOM 476 C PRO A 215 2.422 -2.819 6.016 1.00 0.00 C ATOM 477 O PRO A 215 3.543 -3.217 6.331 1.00 0.00 O ATOM 478 CB PRO A 215 1.842 -1.201 4.187 1.00 0.00 C ATOM 479 CG PRO A 215 0.381 -0.954 4.343 1.00 0.00 C ATOM 480 CD PRO A 215 -0.299 -2.240 3.964 1.00 0.00 C ATOM 0 HA PRO A 215 2.825 -3.169 3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.425 -0.555 4.844 1.00 0.00 H new ATOM 0 HB3 PRO A 215 2.171 -1.000 3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.140 -0.673 5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 215 0.053 -0.136 3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.211 -2.397 4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.581 -2.251 2.911 1.00 0.00 H new ATOM 488 N ARG A 216 1.492 -2.493 6.908 1.00 0.00 N ATOM 489 CA ARG A 216 1.743 -2.585 8.341 1.00 0.00 C ATOM 490 C ARG A 216 2.474 -3.880 8.683 1.00 0.00 C ATOM 491 O ARG A 216 3.343 -3.903 9.556 1.00 0.00 O ATOM 492 CB ARG A 216 0.427 -2.510 9.117 1.00 0.00 C ATOM 493 CG ARG A 216 -0.158 -1.109 9.190 1.00 0.00 C ATOM 494 CD ARG A 216 0.555 -0.261 10.232 1.00 0.00 C ATOM 495 NE ARG A 216 0.319 -0.748 11.588 1.00 0.00 N ATOM 496 CZ ARG A 216 0.428 0.013 12.671 1.00 0.00 C ATOM 497 NH1 ARG A 216 0.766 1.290 12.558 1.00 0.00 N ATOM 498 NH2 ARG A 216 0.197 -0.503 13.872 1.00 0.00 N ATOM 0 H ARG A 216 0.558 -2.163 6.663 1.00 0.00 H new ATOM 0 HA ARG A 216 2.375 -1.744 8.628 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.300 -3.174 8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.590 -2.880 10.129 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.080 -0.630 8.214 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.219 -1.169 9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 216 1.626 -0.261 10.028 1.00 0.00 H new ATOM 0 HD3 ARG A 216 0.215 0.772 10.153 1.00 0.00 H new ATOM 0 HE ARG A 216 0.056 -1.726 11.710 1.00 0.00 H new ATOM 0 HH11 ARG A 216 0.943 1.691 11.637 1.00 0.00 H new ATOM 0 HH12 ARG A 216 0.849 1.871 13.392 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -0.064 -1.485 13.964 1.00 0.00 H new ATOM 0 HH22 ARG A 216 0.281 0.082 14.703 1.00 0.00 H new ATOM 512 N LEU A 217 2.117 -4.955 7.990 1.00 0.00 N ATOM 513 CA LEU A 217 2.738 -6.255 8.221 1.00 0.00 C ATOM 514 C LEU A 217 4.252 -6.119 8.355 1.00 0.00 C ATOM 515 O LEU A 217 4.912 -5.446 7.563 1.00 0.00 O ATOM 516 CB LEU A 217 2.401 -7.214 7.078 1.00 0.00 C ATOM 517 CG LEU A 217 2.923 -8.643 7.224 1.00 0.00 C ATOM 518 CD1 LEU A 217 1.926 -9.500 7.989 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.211 -9.249 5.858 1.00 0.00 C ATOM 0 H LEU A 217 1.401 -4.953 7.264 1.00 0.00 H new ATOM 0 HA LEU A 217 2.343 -6.658 9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.317 -7.254 6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 217 2.797 -6.797 6.152 1.00 0.00 H new ATOM 0 HG LEU A 217 3.854 -8.612 7.789 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.315 -10.514 8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.770 -9.078 8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 217 0.978 -9.523 7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.582 -10.266 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.295 -9.266 5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 217 3.963 -8.649 5.345 1.00 0.00 H new ATOM 531 N PRO A 218 4.817 -6.774 9.380 1.00 0.00 N ATOM 532 CA PRO A 218 6.259 -6.744 9.640 1.00 0.00 C ATOM 533 C PRO A 218 7.054 -7.507 8.587 1.00 0.00 C ATOM 534 O PRO A 218 6.736 -8.651 8.262 1.00 0.00 O ATOM 535 CB PRO A 218 6.387 -7.426 11.005 1.00 0.00 C ATOM 536 CG PRO A 218 5.190 -8.307 11.102 1.00 0.00 C ATOM 537 CD PRO A 218 4.091 -7.596 10.363 1.00 0.00 C ATOM 0 HA PRO A 218 6.657 -5.729 9.616 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.309 -8.002 11.075 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.407 -6.694 11.813 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.388 -9.284 10.661 1.00 0.00 H new ATOM 0 HG3 PRO A 218 4.914 -8.477 12.143 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.414 -8.298 9.877 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.488 -6.983 11.033 1.00 0.00 H new ATOM 545 N VAL A 219 8.091 -6.867 8.056 1.00 0.00 N ATOM 546 CA VAL A 219 8.934 -7.486 7.040 1.00 0.00 C ATOM 547 C VAL A 219 10.405 -7.432 7.437 1.00 0.00 C ATOM 548 O VAL A 219 10.938 -6.364 7.736 1.00 0.00 O ATOM 549 CB VAL A 219 8.758 -6.801 5.671 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.309 -6.883 5.216 1.00 0.00 C ATOM 551 CG2 VAL A 219 9.224 -5.355 5.736 1.00 0.00 C ATOM 0 H VAL A 219 8.368 -5.919 8.313 1.00 0.00 H new ATOM 0 HA VAL A 219 8.620 -8.527 6.961 1.00 0.00 H new ATOM 0 HB VAL A 219 9.374 -7.325 4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.204 -6.394 4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 219 7.014 -7.929 5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 219 6.670 -6.385 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 219 9.093 -4.886 4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.636 -4.816 6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 219 10.277 -5.324 6.014 1.00 0.00 H new ATOM 561 N ALA A 220 11.055 -8.591 7.438 1.00 0.00 N ATOM 562 CA ALA A 220 12.465 -8.676 7.797 1.00 0.00 C ATOM 563 C ALA A 220 13.308 -7.744 6.932 1.00 0.00 C ATOM 564 O ALA A 220 13.164 -7.716 5.709 1.00 0.00 O ATOM 565 CB ALA A 220 12.957 -10.110 7.666 1.00 0.00 C ATOM 0 H ALA A 220 10.627 -9.484 7.194 1.00 0.00 H new ATOM 0 HA ALA A 220 12.571 -8.361 8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 220 14.012 -10.159 7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 220 12.381 -10.754 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 220 12.831 -10.445 6.636 1.00 0.00 H new ATOM 571 N CYS A 221 14.187 -6.983 7.574 1.00 0.00 N ATOM 572 CA CYS A 221 15.053 -6.049 6.865 1.00 0.00 C ATOM 573 C CYS A 221 16.025 -6.793 5.954 1.00 0.00 C ATOM 574 O CYS A 221 16.682 -7.753 6.357 1.00 0.00 O ATOM 575 CB CYS A 221 15.830 -5.185 7.860 1.00 0.00 C ATOM 576 SG CYS A 221 16.934 -3.963 7.080 1.00 0.00 S ATOM 0 H CYS A 221 14.319 -6.995 8.585 1.00 0.00 H new ATOM 0 HA CYS A 221 14.424 -5.406 6.249 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.121 -4.661 8.501 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.422 -5.835 8.504 1.00 0.00 H new ATOM 0 HG CYS A 221 16.286 -2.852 6.890 1.00 0.00 H new ATOM 581 N PRO A 222 16.120 -6.340 4.695 1.00 0.00 N ATOM 582 CA PRO A 222 17.010 -6.948 3.700 1.00 0.00 C ATOM 583 C PRO A 222 18.482 -6.694 4.007 1.00 0.00 C ATOM 584 O PRO A 222 19.358 -7.418 3.536 1.00 0.00 O ATOM 585 CB PRO A 222 16.608 -6.255 2.396 1.00 0.00 C ATOM 586 CG PRO A 222 16.034 -4.948 2.821 1.00 0.00 C ATOM 587 CD PRO A 222 15.368 -5.200 4.145 1.00 0.00 C ATOM 0 HA PRO A 222 16.909 -8.033 3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.468 -6.115 1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 222 15.878 -6.846 1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 222 16.813 -4.191 2.914 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.317 -4.579 2.087 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.427 -4.328 4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.311 -5.437 4.024 1.00 0.00 H new ATOM 595 N ASN A 223 18.746 -5.660 4.800 1.00 0.00 N ATOM 596 CA ASN A 223 20.113 -5.311 5.169 1.00 0.00 C ATOM 597 C ASN A 223 20.562 -6.096 6.398 1.00 0.00 C ATOM 598 O ASN A 223 21.752 -6.155 6.707 1.00 0.00 O ATOM 599 CB ASN A 223 20.222 -3.809 5.442 1.00 0.00 C ATOM 600 CG ASN A 223 19.986 -2.977 4.196 1.00 0.00 C ATOM 601 OD1 ASN A 223 19.528 -3.486 3.173 1.00 0.00 O ATOM 602 ND2 ASN A 223 20.300 -1.689 4.277 1.00 0.00 N ATOM 0 H ASN A 223 18.032 -5.050 5.199 1.00 0.00 H new ATOM 0 HA ASN A 223 20.765 -5.571 4.335 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.497 -3.528 6.206 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.211 -3.586 5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 223 20.164 -1.079 3.471 1.00 0.00 H new ATOM 0 HD22 ASN A 223 20.677 -1.310 5.146 1.00 0.00 H new ATOM 609 N GLN A 224 19.602 -6.696 7.094 1.00 0.00 N ATOM 610 CA GLN A 224 19.899 -7.477 8.289 1.00 0.00 C ATOM 611 C GLN A 224 20.692 -6.651 9.296 1.00 0.00 C ATOM 612 O GLN A 224 21.764 -7.059 9.743 1.00 0.00 O ATOM 613 CB GLN A 224 20.680 -8.738 7.918 1.00 0.00 C ATOM 614 CG GLN A 224 19.793 -9.919 7.557 1.00 0.00 C ATOM 615 CD GLN A 224 18.922 -10.369 8.712 1.00 0.00 C ATOM 616 OE1 GLN A 224 17.876 -9.777 8.984 1.00 0.00 O ATOM 617 NE2 GLN A 224 19.347 -11.422 9.401 1.00 0.00 N ATOM 0 H GLN A 224 18.612 -6.656 6.851 1.00 0.00 H new ATOM 0 HA GLN A 224 18.954 -7.766 8.748 1.00 0.00 H new ATOM 0 HB2 GLN A 224 21.335 -8.515 7.076 1.00 0.00 H new ATOM 0 HB3 GLN A 224 21.321 -9.018 8.754 1.00 0.00 H new ATOM 0 HG2 GLN A 224 19.159 -9.648 6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 224 20.417 -10.751 7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 224 20.219 -11.883 9.142 1.00 0.00 H new ATOM 0 HE22 GLN A 224 18.801 -11.770 10.189 1.00 0.00 H new ATOM 626 N CYS A 225 20.158 -5.486 9.649 1.00 0.00 N ATOM 627 CA CYS A 225 20.816 -4.601 10.603 1.00 0.00 C ATOM 628 C CYS A 225 20.696 -5.147 12.023 1.00 0.00 C ATOM 629 O CYS A 225 21.684 -5.234 12.751 1.00 0.00 O ATOM 630 CB CYS A 225 20.209 -3.198 10.531 1.00 0.00 C ATOM 631 SG CYS A 225 18.388 -3.174 10.557 1.00 0.00 S ATOM 0 H CYS A 225 19.271 -5.133 9.289 1.00 0.00 H new ATOM 0 HA CYS A 225 21.873 -4.546 10.342 1.00 0.00 H new ATOM 0 HB2 CYS A 225 20.582 -2.609 11.369 1.00 0.00 H new ATOM 0 HB3 CYS A 225 20.555 -2.710 9.620 1.00 0.00 H new ATOM 0 HG CYS A 225 17.933 -3.443 9.369 1.00 0.00 H new ATOM 636 N GLY A 226 19.478 -5.514 12.410 1.00 0.00 N ATOM 637 CA GLY A 226 19.251 -6.046 13.740 1.00 0.00 C ATOM 638 C GLY A 226 17.806 -5.913 14.180 1.00 0.00 C ATOM 639 O GLY A 226 17.270 -6.794 14.851 1.00 0.00 O ATOM 0 H GLY A 226 18.644 -5.452 11.825 1.00 0.00 H new ATOM 0 HA2 GLY A 226 19.539 -7.097 13.761 1.00 0.00 H new ATOM 0 HA3 GLY A 226 19.893 -5.525 14.450 1.00 0.00 H new ATOM 643 N VAL A 227 17.174 -4.806 13.802 1.00 0.00 N ATOM 644 CA VAL A 227 15.783 -4.559 14.161 1.00 0.00 C ATOM 645 C VAL A 227 14.959 -5.839 14.078 1.00 0.00 C ATOM 646 O VAL A 227 14.009 -6.029 14.837 1.00 0.00 O ATOM 647 CB VAL A 227 15.148 -3.493 13.249 1.00 0.00 C ATOM 648 CG1 VAL A 227 15.237 -3.916 11.791 1.00 0.00 C ATOM 649 CG2 VAL A 227 13.703 -3.239 13.653 1.00 0.00 C ATOM 0 H VAL A 227 17.604 -4.066 13.247 1.00 0.00 H new ATOM 0 HA VAL A 227 15.781 -4.195 15.188 1.00 0.00 H new ATOM 0 HB VAL A 227 15.703 -2.562 13.366 1.00 0.00 H new ATOM 0 HG11 VAL A 227 14.783 -3.150 11.162 1.00 0.00 H new ATOM 0 HG12 VAL A 227 16.283 -4.042 11.512 1.00 0.00 H new ATOM 0 HG13 VAL A 227 14.709 -4.859 11.653 1.00 0.00 H new ATOM 0 HG21 VAL A 227 13.270 -2.483 12.998 1.00 0.00 H new ATOM 0 HG22 VAL A 227 13.133 -4.164 13.566 1.00 0.00 H new ATOM 0 HG23 VAL A 227 13.670 -2.888 14.684 1.00 0.00 H new ATOM 659 N GLY A 228 15.330 -6.717 13.151 1.00 0.00 N ATOM 660 CA GLY A 228 14.615 -7.969 12.985 1.00 0.00 C ATOM 661 C GLY A 228 13.434 -7.842 12.043 1.00 0.00 C ATOM 662 O GLY A 228 13.434 -8.418 10.954 1.00 0.00 O ATOM 0 H GLY A 228 16.113 -6.583 12.512 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.300 -8.727 12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 228 14.265 -8.315 13.957 1.00 0.00 H new ATOM 666 N THR A 229 12.423 -7.087 12.461 1.00 0.00 N ATOM 667 CA THR A 229 11.230 -6.889 11.648 1.00 0.00 C ATOM 668 C THR A 229 10.679 -5.478 11.816 1.00 0.00 C ATOM 669 O THR A 229 10.724 -4.908 12.906 1.00 0.00 O ATOM 670 CB THR A 229 10.130 -7.904 12.009 1.00 0.00 C ATOM 671 OG1 THR A 229 9.817 -7.813 13.403 1.00 0.00 O ATOM 672 CG2 THR A 229 10.570 -9.321 11.674 1.00 0.00 C ATOM 0 H THR A 229 12.407 -6.602 13.358 1.00 0.00 H new ATOM 0 HA THR A 229 11.526 -7.039 10.610 1.00 0.00 H new ATOM 0 HB THR A 229 9.242 -7.668 11.422 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.115 -8.461 13.624 1.00 0.00 H new ATOM 0 HG21 THR A 229 9.777 -10.020 11.938 1.00 0.00 H new ATOM 0 HG22 THR A 229 10.778 -9.395 10.607 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.471 -9.565 12.237 1.00 0.00 H new ATOM 680 N VAL A 230 10.157 -4.918 10.729 1.00 0.00 N ATOM 681 CA VAL A 230 9.594 -3.573 10.757 1.00 0.00 C ATOM 682 C VAL A 230 8.528 -3.401 9.680 1.00 0.00 C ATOM 683 O VAL A 230 8.710 -3.825 8.539 1.00 0.00 O ATOM 684 CB VAL A 230 10.685 -2.504 10.558 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.264 -2.585 9.154 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.127 -1.116 10.834 1.00 0.00 C ATOM 0 H VAL A 230 10.112 -5.375 9.818 1.00 0.00 H new ATOM 0 HA VAL A 230 9.140 -3.440 11.739 1.00 0.00 H new ATOM 0 HB VAL A 230 11.490 -2.695 11.268 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.033 -1.822 9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.703 -3.570 8.998 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.472 -2.421 8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 230 10.911 -0.373 10.689 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.303 -0.912 10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 230 9.766 -1.067 11.861 1.00 0.00 H new ATOM 696 N ALA A 231 7.416 -2.776 10.052 1.00 0.00 N ATOM 697 CA ALA A 231 6.321 -2.545 9.117 1.00 0.00 C ATOM 698 C ALA A 231 6.840 -2.021 7.782 1.00 0.00 C ATOM 699 O ALA A 231 7.687 -1.129 7.742 1.00 0.00 O ATOM 700 CB ALA A 231 5.315 -1.572 9.713 1.00 0.00 C ATOM 0 H ALA A 231 7.249 -2.421 10.993 1.00 0.00 H new ATOM 0 HA ALA A 231 5.824 -3.498 8.935 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.503 -1.409 9.004 1.00 0.00 H new ATOM 0 HB2 ALA A 231 4.912 -1.986 10.637 1.00 0.00 H new ATOM 0 HB3 ALA A 231 5.808 -0.623 9.925 1.00 0.00 H new ATOM 706 N ARG A 232 6.326 -2.582 6.692 1.00 0.00 N ATOM 707 CA ARG A 232 6.740 -2.172 5.356 1.00 0.00 C ATOM 708 C ARG A 232 6.618 -0.660 5.188 1.00 0.00 C ATOM 709 O ARG A 232 7.491 -0.019 4.605 1.00 0.00 O ATOM 710 CB ARG A 232 5.894 -2.882 4.297 1.00 0.00 C ATOM 711 CG ARG A 232 6.274 -2.521 2.870 1.00 0.00 C ATOM 712 CD ARG A 232 5.301 -3.118 1.866 1.00 0.00 C ATOM 713 NE ARG A 232 5.535 -2.619 0.514 1.00 0.00 N ATOM 714 CZ ARG A 232 5.148 -3.260 -0.584 1.00 0.00 C ATOM 715 NH1 ARG A 232 4.512 -4.419 -0.488 1.00 0.00 N ATOM 716 NH2 ARG A 232 5.398 -2.742 -1.779 1.00 0.00 N ATOM 0 H ARG A 232 5.623 -3.321 6.708 1.00 0.00 H new ATOM 0 HA ARG A 232 7.785 -2.452 5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.992 -3.960 4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.844 -2.636 4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 232 6.292 -1.437 2.760 1.00 0.00 H new ATOM 0 HG3 ARG A 232 7.282 -2.879 2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 232 5.394 -4.204 1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 232 4.280 -2.884 2.167 1.00 0.00 H new ATOM 0 HE ARG A 232 6.022 -1.729 0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 232 4.319 -4.820 0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 232 4.216 -4.910 -1.332 1.00 0.00 H new ATOM 0 HH21 ARG A 232 5.888 -1.851 -1.856 1.00 0.00 H new ATOM 0 HH22 ARG A 232 5.100 -3.235 -2.621 1.00 0.00 H new ATOM 730 N GLU A 233 5.529 -0.098 5.704 1.00 0.00 N ATOM 731 CA GLU A 233 5.294 1.338 5.611 1.00 0.00 C ATOM 732 C GLU A 233 6.281 2.109 6.481 1.00 0.00 C ATOM 733 O GLU A 233 6.429 3.323 6.344 1.00 0.00 O ATOM 734 CB GLU A 233 3.860 1.670 6.030 1.00 0.00 C ATOM 735 CG GLU A 233 3.507 1.189 7.427 1.00 0.00 C ATOM 736 CD GLU A 233 2.088 1.546 7.826 1.00 0.00 C ATOM 737 OE1 GLU A 233 1.232 1.667 6.925 1.00 0.00 O ATOM 738 OE2 GLU A 233 1.834 1.703 9.038 1.00 0.00 O ATOM 0 H GLU A 233 4.796 -0.615 6.190 1.00 0.00 H new ATOM 0 HA GLU A 233 5.441 1.638 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 233 3.716 2.749 5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.169 1.223 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 233 3.633 0.108 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.203 1.625 8.144 1.00 0.00 H new ATOM 745 N ASP A 234 6.954 1.395 7.377 1.00 0.00 N ATOM 746 CA ASP A 234 7.929 2.011 8.270 1.00 0.00 C ATOM 747 C ASP A 234 9.351 1.640 7.862 1.00 0.00 C ATOM 748 O ASP A 234 10.306 1.896 8.596 1.00 0.00 O ATOM 749 CB ASP A 234 7.671 1.581 9.715 1.00 0.00 C ATOM 750 CG ASP A 234 6.645 2.458 10.406 1.00 0.00 C ATOM 751 OD1 ASP A 234 5.435 2.212 10.222 1.00 0.00 O ATOM 752 OD2 ASP A 234 7.053 3.391 11.130 1.00 0.00 O ATOM 0 H ASP A 234 6.842 0.389 7.504 1.00 0.00 H new ATOM 0 HA ASP A 234 7.820 3.093 8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.328 0.547 9.727 1.00 0.00 H new ATOM 0 HB3 ASP A 234 8.607 1.613 10.273 1.00 0.00 H new ATOM 757 N LEU A 235 9.484 1.035 6.687 1.00 0.00 N ATOM 758 CA LEU A 235 10.790 0.627 6.181 1.00 0.00 C ATOM 759 C LEU A 235 11.568 1.827 5.650 1.00 0.00 C ATOM 760 O LEU A 235 12.758 1.994 5.917 1.00 0.00 O ATOM 761 CB LEU A 235 10.627 -0.418 5.076 1.00 0.00 C ATOM 762 CG LEU A 235 11.758 -1.439 4.945 1.00 0.00 C ATOM 763 CD1 LEU A 235 11.865 -2.283 6.205 1.00 0.00 C ATOM 764 CD2 LEU A 235 11.540 -2.323 3.726 1.00 0.00 C ATOM 0 H LEU A 235 8.704 0.816 6.067 1.00 0.00 H new ATOM 0 HA LEU A 235 11.351 0.190 7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 235 9.696 -0.958 5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.522 0.102 4.124 1.00 0.00 H new ATOM 0 HG LEU A 235 12.695 -0.898 4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 235 12.675 -3.003 6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.069 -1.637 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 235 10.927 -2.814 6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 235 12.354 -3.043 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 235 10.594 -2.854 3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 235 11.516 -1.705 2.828 1.00 0.00 H new ATOM 776 N PRO A 236 10.880 2.685 4.882 1.00 0.00 N ATOM 777 CA PRO A 236 11.486 3.887 4.301 1.00 0.00 C ATOM 778 C PRO A 236 12.282 4.689 5.325 1.00 0.00 C ATOM 779 O PRO A 236 13.502 4.811 5.219 1.00 0.00 O ATOM 780 CB PRO A 236 10.279 4.692 3.813 1.00 0.00 C ATOM 781 CG PRO A 236 9.221 3.674 3.563 1.00 0.00 C ATOM 782 CD PRO A 236 9.459 2.549 4.523 1.00 0.00 C ATOM 0 HA PRO A 236 12.200 3.643 3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 236 9.960 5.419 4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.515 5.249 2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.230 4.104 3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.264 3.318 2.534 1.00 0.00 H new ATOM 0 HD2 PRO A 236 8.816 2.629 5.400 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.254 1.582 4.064 1.00 0.00 H new ATOM 790 N GLY A 237 11.584 5.233 6.316 1.00 0.00 N ATOM 791 CA GLY A 237 12.243 6.016 7.345 1.00 0.00 C ATOM 792 C GLY A 237 13.335 5.240 8.054 1.00 0.00 C ATOM 793 O GLY A 237 14.312 5.821 8.529 1.00 0.00 O ATOM 0 H GLY A 237 10.574 5.146 6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.671 6.912 6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.504 6.346 8.075 1.00 0.00 H new ATOM 797 N HIS A 238 13.171 3.923 8.128 1.00 0.00 N ATOM 798 CA HIS A 238 14.150 3.065 8.785 1.00 0.00 C ATOM 799 C HIS A 238 15.448 3.011 7.985 1.00 0.00 C ATOM 800 O HIS A 238 16.523 3.317 8.503 1.00 0.00 O ATOM 801 CB HIS A 238 13.588 1.655 8.963 1.00 0.00 C ATOM 802 CG HIS A 238 14.641 0.612 9.173 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.102 0.248 10.421 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.324 -0.149 8.286 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.023 -0.689 10.292 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.177 -0.949 9.006 1.00 0.00 N ATOM 0 H HIS A 238 12.369 3.427 7.741 1.00 0.00 H new ATOM 0 HA HIS A 238 14.365 3.488 9.766 1.00 0.00 H new ATOM 0 HB2 HIS A 238 12.908 1.649 9.815 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.000 1.394 8.083 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.218 -0.130 7.211 1.00 0.00 H new ATOM 0 HE1 HIS A 238 16.560 -1.163 11.101 1.00 0.00 H new ATOM 0 HE2 HIS A 238 16.824 -1.632 8.612 1.00 0.00 H new ATOM 814 N LEU A 239 15.342 2.619 6.720 1.00 0.00 N ATOM 815 CA LEU A 239 16.507 2.523 5.847 1.00 0.00 C ATOM 816 C LEU A 239 17.285 3.835 5.833 1.00 0.00 C ATOM 817 O LEU A 239 18.501 3.846 5.640 1.00 0.00 O ATOM 818 CB LEU A 239 16.076 2.157 4.426 1.00 0.00 C ATOM 819 CG LEU A 239 15.671 0.700 4.202 1.00 0.00 C ATOM 820 CD1 LEU A 239 14.958 0.543 2.868 1.00 0.00 C ATOM 821 CD2 LEU A 239 16.890 -0.209 4.268 1.00 0.00 C ATOM 0 H LEU A 239 14.461 2.362 6.276 1.00 0.00 H new ATOM 0 HA LEU A 239 17.158 1.739 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.236 2.794 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 239 16.895 2.394 3.747 1.00 0.00 H new ATOM 0 HG LEU A 239 14.982 0.409 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 239 14.677 -0.501 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.062 1.164 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 239 15.623 0.853 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.583 -1.242 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 239 17.603 0.082 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.358 -0.119 5.248 1.00 0.00 H new ATOM 833 N LYS A 240 16.577 4.940 6.040 1.00 0.00 N ATOM 834 CA LYS A 240 17.200 6.258 6.055 1.00 0.00 C ATOM 835 C LYS A 240 18.291 6.332 7.118 1.00 0.00 C ATOM 836 O LYS A 240 19.474 6.458 6.800 1.00 0.00 O ATOM 837 CB LYS A 240 16.148 7.339 6.312 1.00 0.00 C ATOM 838 CG LYS A 240 15.447 7.817 5.052 1.00 0.00 C ATOM 839 CD LYS A 240 16.222 8.934 4.372 1.00 0.00 C ATOM 840 CE LYS A 240 17.264 8.385 3.411 1.00 0.00 C ATOM 841 NZ LYS A 240 17.571 9.346 2.316 1.00 0.00 N ATOM 0 H LYS A 240 15.570 4.949 6.200 1.00 0.00 H new ATOM 0 HA LYS A 240 17.656 6.428 5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 240 15.403 6.952 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 240 16.625 8.190 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 240 15.329 6.982 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 240 14.446 8.168 5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 240 15.531 9.580 3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 240 16.711 9.551 5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 240 18.178 8.155 3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 240 16.905 7.449 2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 18.286 8.934 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 16.705 9.546 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 17.938 10.230 2.723 1.00 0.00 H new ATOM 855 N ASP A 241 17.886 6.252 8.381 1.00 0.00 N ATOM 856 CA ASP A 241 18.830 6.307 9.491 1.00 0.00 C ATOM 857 C ASP A 241 18.815 5.003 10.282 1.00 0.00 C ATOM 858 O ASP A 241 19.841 4.337 10.419 1.00 0.00 O ATOM 859 CB ASP A 241 18.497 7.481 10.414 1.00 0.00 C ATOM 860 CG ASP A 241 18.860 8.819 9.801 1.00 0.00 C ATOM 861 OD1 ASP A 241 18.103 9.299 8.932 1.00 0.00 O ATOM 862 OD2 ASP A 241 19.902 9.387 10.190 1.00 0.00 O ATOM 0 H ASP A 241 16.911 6.149 8.661 1.00 0.00 H new ATOM 0 HA ASP A 241 19.829 6.450 9.079 1.00 0.00 H new ATOM 0 HB2 ASP A 241 17.432 7.467 10.645 1.00 0.00 H new ATOM 0 HB3 ASP A 241 19.029 7.360 11.357 1.00 0.00 H new ATOM 867 N SER A 242 17.645 4.645 10.802 1.00 0.00 N ATOM 868 CA SER A 242 17.498 3.423 11.584 1.00 0.00 C ATOM 869 C SER A 242 18.500 2.364 11.131 1.00 0.00 C ATOM 870 O SER A 242 19.447 2.042 11.849 1.00 0.00 O ATOM 871 CB SER A 242 16.073 2.880 11.458 1.00 0.00 C ATOM 872 OG SER A 242 15.782 1.964 12.500 1.00 0.00 O ATOM 0 H SER A 242 16.785 5.184 10.696 1.00 0.00 H new ATOM 0 HA SER A 242 17.697 3.663 12.628 1.00 0.00 H new ATOM 0 HB2 SER A 242 15.362 3.706 11.486 1.00 0.00 H new ATOM 0 HB3 SER A 242 15.952 2.388 10.493 1.00 0.00 H new ATOM 0 HG SER A 242 15.422 1.137 12.117 1.00 0.00 H new ATOM 878 N CYS A 243 18.282 1.826 9.936 1.00 0.00 N ATOM 879 CA CYS A 243 19.164 0.803 9.386 1.00 0.00 C ATOM 880 C CYS A 243 20.620 1.257 9.435 1.00 0.00 C ATOM 881 O CYS A 243 20.955 2.352 8.987 1.00 0.00 O ATOM 882 CB CYS A 243 18.767 0.481 7.944 1.00 0.00 C ATOM 883 SG CYS A 243 19.273 -1.178 7.387 1.00 0.00 S ATOM 0 H CYS A 243 17.502 2.081 9.330 1.00 0.00 H new ATOM 0 HA CYS A 243 19.061 -0.096 9.994 1.00 0.00 H new ATOM 0 HB2 CYS A 243 17.685 0.571 7.848 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.209 1.226 7.282 1.00 0.00 H new ATOM 0 HG CYS A 243 18.223 -1.937 7.274 1.00 0.00 H new