USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 272 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 212 CYS SG : rot -180:sc= 0.0221 USER MOD Set 1.2: A 239 CYS SG : rot 170:sc= 0.405 USER MOD Set 1.3: A 242 CYS SG : rot 101:sc= 1.37 USER MOD Set 2.1: A 199 CYS SG : rot -164:sc= -0.792 USER MOD Set 2.2: A 201 CYS SG : rot 83:sc= 1.16 USER MOD Set 2.3: A 206 TYR OH : rot 168:sc= 0.0971 USER MOD Set 2.4: A 223 HIS : no HD1:sc= -0.551 X(o=-0.079,f=0.09) USER MOD Set 2.5: A 226 CYS SG : rot -30:sc= 0.00574 USER MOD Single : A 197 THR OG1 : rot -36:sc= 0.0616 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.23) USER MOD Single : A 203 GLN : amide:sc= 0.312 X(o=0.31,f=0) USER MOD Single : A 205 SER OG : rot -22:sc= 0.85 USER MOD Single : A 209 MET CE :methyl 158:sc= -0.461 (180deg=-0.571) USER MOD Single : A 217 CYS SG : rot 110:sc= 0.521 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -7.979 2.855 -8.626 1.00 0.00 N ATOM 149 CA THR A 197 -7.344 1.559 -8.387 1.00 0.00 C ATOM 150 C THR A 197 -5.825 1.724 -8.499 1.00 0.00 C ATOM 151 O THR A 197 -5.358 2.445 -9.386 1.00 0.00 O ATOM 152 CB THR A 197 -7.836 0.533 -9.423 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.580 0.950 -10.749 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.333 0.229 -9.304 1.00 0.00 C ATOM 0 HA THR A 197 -7.604 1.201 -7.391 1.00 0.00 H new ATOM 0 HB THR A 197 -7.271 -0.372 -9.201 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.696 1.921 -10.815 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.617 -0.501 -10.062 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.545 -0.175 -8.314 1.00 0.00 H new ATOM 0 HG23 THR A 197 -9.903 1.146 -9.452 1.00 0.00 H new ATOM 162 N TYR A 198 -5.050 1.091 -7.597 1.00 0.00 N ATOM 163 CA TYR A 198 -3.607 1.376 -7.506 1.00 0.00 C ATOM 164 C TYR A 198 -2.772 0.241 -6.899 1.00 0.00 C ATOM 165 O TYR A 198 -1.715 -0.059 -7.456 1.00 0.00 O ATOM 166 CB TYR A 198 -3.335 2.647 -6.688 1.00 0.00 C ATOM 167 CG TYR A 198 -4.207 3.867 -6.944 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.455 3.997 -6.303 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.770 4.875 -7.827 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.263 5.122 -6.537 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.579 5.999 -8.076 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.832 6.125 -7.431 1.00 0.00 C ATOM 173 OH TYR A 198 -6.626 7.208 -7.672 1.00 0.00 O ATOM 0 H TYR A 198 -5.390 0.394 -6.935 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.298 1.502 -8.544 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.425 2.389 -5.633 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.298 2.937 -6.858 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.793 3.226 -5.627 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.810 4.784 -8.314 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.213 5.219 -6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.244 6.765 -8.759 1.00 0.00 H new ATOM 0 HH TYR A 198 -6.181 7.804 -8.310 1.00 0.00 H new ATOM 183 N CYS A 199 -3.216 -0.380 -5.788 1.00 0.00 N ATOM 184 CA CYS A 199 -2.686 -1.617 -5.214 1.00 0.00 C ATOM 185 C CYS A 199 -2.309 -2.673 -6.253 1.00 0.00 C ATOM 186 O CYS A 199 -2.719 -2.648 -7.415 1.00 0.00 O ATOM 187 CB CYS A 199 -3.785 -2.267 -4.351 1.00 0.00 C ATOM 188 SG CYS A 199 -5.388 -2.142 -5.084 1.00 0.00 S ATOM 0 H CYS A 199 -3.994 -0.007 -5.244 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.792 -1.329 -4.661 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.543 -3.318 -4.192 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -3.800 -1.792 -3.370 1.00 0.00 H new ATOM 0 HG CYS A 199 -6.296 -2.383 -4.185 1.00 0.00 H new ATOM 193 N LEU A 200 -1.642 -3.708 -5.742 1.00 0.00 N ATOM 194 CA LEU A 200 -1.401 -4.936 -6.479 1.00 0.00 C ATOM 195 C LEU A 200 -2.711 -5.718 -6.645 1.00 0.00 C ATOM 196 O LEU A 200 -2.724 -6.718 -7.362 1.00 0.00 O ATOM 197 CB LEU A 200 -0.346 -5.809 -5.768 1.00 0.00 C ATOM 198 CG LEU A 200 0.813 -5.037 -5.106 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.724 -6.009 -4.346 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.647 -4.238 -6.120 1.00 0.00 C ATOM 0 H LEU A 200 -1.254 -3.712 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.016 -4.673 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -0.847 -6.404 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 200 0.072 -6.507 -6.493 1.00 0.00 H new ATOM 0 HG LEU A 200 0.365 -4.322 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.540 -5.455 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 200 1.148 -6.521 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 200 2.133 -6.743 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.449 -3.714 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 200 2.076 -4.919 -6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 200 1.009 -3.513 -6.626 1.00 0.00 H new ATOM 212 N CYS A 201 -3.803 -5.268 -5.999 1.00 0.00 N ATOM 213 CA CYS A 201 -5.114 -5.842 -6.145 1.00 0.00 C ATOM 214 C CYS A 201 -5.966 -5.065 -7.159 1.00 0.00 C ATOM 215 O CYS A 201 -7.010 -5.567 -7.574 1.00 0.00 O ATOM 216 CB CYS A 201 -5.747 -5.766 -4.769 1.00 0.00 C ATOM 217 SG CYS A 201 -4.920 -6.839 -3.562 1.00 0.00 S ATOM 0 H CYS A 201 -3.777 -4.479 -5.353 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.049 -6.864 -6.518 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.716 -4.736 -4.415 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.798 -6.047 -4.840 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.872 -6.233 -3.089 1.00 0.00 H new ATOM 222 N HIS A 202 -5.519 -3.851 -7.524 1.00 0.00 N ATOM 223 CA HIS A 202 -6.213 -2.869 -8.361 1.00 0.00 C ATOM 224 C HIS A 202 -7.692 -2.684 -7.967 1.00 0.00 C ATOM 225 O HIS A 202 -8.588 -2.801 -8.802 1.00 0.00 O ATOM 226 CB HIS A 202 -5.938 -3.118 -9.857 1.00 0.00 C ATOM 227 CG HIS A 202 -6.348 -4.473 -10.382 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.615 -4.855 -10.759 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.531 -5.557 -10.564 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.556 -6.140 -11.149 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.304 -6.615 -11.051 1.00 0.00 N ATOM 0 H HIS A 202 -4.606 -3.512 -7.221 1.00 0.00 H new ATOM 0 HA HIS A 202 -5.788 -1.885 -8.162 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.456 -2.353 -10.435 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -4.871 -2.986 -10.038 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.470 -5.589 -10.365 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.403 -6.714 -11.495 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -5.983 -7.555 -11.284 1.00 0.00 H new ATOM 239 N GLN A 203 -7.932 -2.415 -6.671 1.00 0.00 N ATOM 240 CA GLN A 203 -9.243 -2.188 -6.069 1.00 0.00 C ATOM 241 C GLN A 203 -9.038 -1.654 -4.650 1.00 0.00 C ATOM 242 O GLN A 203 -8.171 -2.142 -3.936 1.00 0.00 O ATOM 243 CB GLN A 203 -10.088 -3.481 -6.049 1.00 0.00 C ATOM 244 CG GLN A 203 -9.499 -4.614 -5.194 1.00 0.00 C ATOM 245 CD GLN A 203 -10.170 -5.953 -5.485 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.121 -6.339 -4.811 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.676 -6.676 -6.490 1.00 0.00 N ATOM 0 H GLN A 203 -7.176 -2.349 -5.989 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.791 -1.460 -6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.085 -3.243 -5.677 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.206 -3.839 -7.072 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.429 -4.695 -5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.616 -4.371 -4.138 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -8.885 -6.325 -7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.089 -7.580 -6.719 1.00 0.00 H new ATOM 256 N VAL A 204 -9.857 -0.681 -4.246 1.00 0.00 N ATOM 257 CA VAL A 204 -9.880 -0.071 -2.899 1.00 0.00 C ATOM 258 C VAL A 204 -11.293 -0.223 -2.279 1.00 0.00 C ATOM 259 O VAL A 204 -12.146 -0.898 -2.853 1.00 0.00 O ATOM 260 CB VAL A 204 -9.319 1.387 -2.897 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.609 1.735 -1.563 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.310 1.643 -4.031 1.00 0.00 C ATOM 0 H VAL A 204 -10.555 -0.274 -4.869 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.194 -0.612 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.196 2.018 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.235 2.758 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.317 1.642 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.776 1.050 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.956 2.672 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.465 0.963 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.794 1.475 -4.993 1.00 0.00 H new ATOM 272 N SER A 205 -11.531 0.369 -1.094 1.00 0.00 N ATOM 273 CA SER A 205 -12.755 0.268 -0.279 1.00 0.00 C ATOM 274 C SER A 205 -13.113 -1.168 0.168 1.00 0.00 C ATOM 275 O SER A 205 -14.219 -1.655 -0.065 1.00 0.00 O ATOM 276 CB SER A 205 -13.912 1.085 -0.886 1.00 0.00 C ATOM 277 OG SER A 205 -14.443 0.514 -2.064 1.00 0.00 O ATOM 0 H SER A 205 -10.831 0.967 -0.654 1.00 0.00 H new ATOM 0 HA SER A 205 -12.535 0.747 0.675 1.00 0.00 H new ATOM 0 HB2 SER A 205 -14.707 1.180 -0.147 1.00 0.00 H new ATOM 0 HB3 SER A 205 -13.559 2.093 -1.106 1.00 0.00 H new ATOM 0 HG SER A 205 -13.780 -0.087 -2.464 1.00 0.00 H new ATOM 283 N TYR A 206 -12.148 -1.843 0.811 1.00 0.00 N ATOM 284 CA TYR A 206 -12.211 -3.229 1.275 1.00 0.00 C ATOM 285 C TYR A 206 -11.239 -3.410 2.453 1.00 0.00 C ATOM 286 O TYR A 206 -10.038 -3.169 2.320 1.00 0.00 O ATOM 287 CB TYR A 206 -11.914 -4.224 0.124 1.00 0.00 C ATOM 288 CG TYR A 206 -10.505 -4.263 -0.472 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.802 -3.075 -0.733 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.899 -5.496 -0.809 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.522 -3.107 -1.274 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.614 -5.531 -1.396 1.00 0.00 C ATOM 293 CZ TYR A 206 -7.918 -4.322 -1.630 1.00 0.00 C ATOM 294 OH TYR A 206 -6.693 -4.262 -2.229 1.00 0.00 O ATOM 0 H TYR A 206 -11.253 -1.407 1.032 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.222 -3.448 1.618 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.147 -5.226 0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.609 -4.008 -0.687 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.262 -2.124 -0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.424 -6.420 -0.616 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -7.984 -2.182 -1.423 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.166 -6.476 -1.665 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.297 -5.158 -2.254 1.00 0.00 H new ATOM 304 N GLY A 207 -11.778 -3.822 3.610 1.00 0.00 N ATOM 305 CA GLY A 207 -11.075 -3.941 4.876 1.00 0.00 C ATOM 306 C GLY A 207 -10.457 -2.609 5.291 1.00 0.00 C ATOM 307 O GLY A 207 -11.159 -1.641 5.581 1.00 0.00 O ATOM 0 H GLY A 207 -12.759 -4.091 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.766 -4.281 5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.294 -4.697 4.792 1.00 0.00 H new ATOM 311 N GLU A 208 -9.127 -2.603 5.296 1.00 0.00 N ATOM 312 CA GLU A 208 -8.250 -1.530 5.744 1.00 0.00 C ATOM 313 C GLU A 208 -7.105 -1.287 4.746 1.00 0.00 C ATOM 314 O GLU A 208 -6.888 -2.071 3.821 1.00 0.00 O ATOM 315 CB GLU A 208 -7.774 -1.852 7.170 1.00 0.00 C ATOM 316 CG GLU A 208 -6.737 -2.976 7.299 1.00 0.00 C ATOM 317 CD GLU A 208 -7.303 -4.366 6.994 1.00 0.00 C ATOM 318 OE1 GLU A 208 -7.869 -4.967 7.933 1.00 0.00 O ATOM 319 OE2 GLU A 208 -7.178 -4.803 5.828 1.00 0.00 O ATOM 0 H GLU A 208 -8.597 -3.408 4.962 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.792 -0.585 5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -7.353 -0.945 7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -8.644 -2.118 7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -5.907 -2.774 6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.331 -2.971 8.311 1.00 0.00 H new ATOM 326 N MET A 209 -6.380 -0.175 4.934 1.00 0.00 N ATOM 327 CA MET A 209 -5.437 0.359 3.949 1.00 0.00 C ATOM 328 C MET A 209 -4.140 0.863 4.576 1.00 0.00 C ATOM 329 O MET A 209 -4.096 1.199 5.761 1.00 0.00 O ATOM 330 CB MET A 209 -6.114 1.524 3.191 1.00 0.00 C ATOM 331 CG MET A 209 -7.389 1.138 2.426 1.00 0.00 C ATOM 332 SD MET A 209 -8.924 1.208 3.393 1.00 0.00 S ATOM 333 CE MET A 209 -10.036 0.383 2.233 1.00 0.00 C ATOM 0 H MET A 209 -6.435 0.383 5.786 1.00 0.00 H new ATOM 0 HA MET A 209 -5.174 -0.457 3.276 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.359 2.310 3.905 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.397 1.946 2.486 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.491 1.799 1.565 1.00 0.00 H new ATOM 0 HG3 MET A 209 -7.269 0.126 2.039 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.895 -0.015 2.773 1.00 0.00 H new ATOM 0 HE2 MET A 209 -10.377 1.098 1.485 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.508 -0.433 1.740 1.00 0.00 H new ATOM 343 N ILE A 210 -3.098 0.962 3.736 1.00 0.00 N ATOM 344 CA ILE A 210 -1.847 1.627 4.049 1.00 0.00 C ATOM 345 C ILE A 210 -1.494 2.489 2.829 1.00 0.00 C ATOM 346 O ILE A 210 -2.357 3.172 2.277 1.00 0.00 O ATOM 347 CB ILE A 210 -0.790 0.605 4.568 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.480 1.208 5.221 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.372 -0.512 3.592 1.00 0.00 C ATOM 350 CD1 ILE A 210 0.204 2.259 6.301 1.00 0.00 C ATOM 0 H ILE A 210 -3.114 0.566 2.796 1.00 0.00 H new ATOM 0 HA ILE A 210 -1.904 2.315 4.893 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.386 0.143 5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 210 1.065 0.400 5.660 1.00 0.00 H new ATOM 0 HG13 ILE A 210 1.094 1.659 4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.366 -1.156 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.246 -1.103 3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.060 -0.068 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 210 1.149 2.626 6.702 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.352 3.090 5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.381 1.811 7.104 1.00 0.00 H new ATOM 362 N GLY A 211 -0.227 2.484 2.441 1.00 0.00 N ATOM 363 CA GLY A 211 0.350 3.357 1.445 1.00 0.00 C ATOM 364 C GLY A 211 1.798 3.682 1.745 1.00 0.00 C ATOM 365 O GLY A 211 2.141 4.049 2.869 1.00 0.00 O ATOM 0 H GLY A 211 0.455 1.837 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.280 2.885 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.226 4.281 1.395 1.00 0.00 H new ATOM 369 N CYS A 212 2.632 3.533 0.710 1.00 0.00 N ATOM 370 CA CYS A 212 4.052 3.853 0.773 1.00 0.00 C ATOM 371 C CYS A 212 4.196 5.358 0.999 1.00 0.00 C ATOM 372 O CYS A 212 3.752 6.156 0.173 1.00 0.00 O ATOM 373 CB CYS A 212 4.819 3.394 -0.479 1.00 0.00 C ATOM 374 SG CYS A 212 6.573 3.842 -0.274 1.00 0.00 S ATOM 0 H CYS A 212 2.332 3.184 -0.200 1.00 0.00 H new ATOM 0 HA CYS A 212 4.499 3.307 1.604 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.716 2.317 -0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.408 3.868 -1.371 1.00 0.00 H new ATOM 0 HG CYS A 212 7.243 3.463 -1.322 1.00 0.00 H new ATOM 379 N ASP A 213 4.831 5.714 2.122 1.00 0.00 N ATOM 380 CA ASP A 213 5.066 7.086 2.563 1.00 0.00 C ATOM 381 C ASP A 213 6.045 7.869 1.663 1.00 0.00 C ATOM 382 O ASP A 213 6.327 9.029 1.959 1.00 0.00 O ATOM 383 CB ASP A 213 5.536 7.053 4.024 1.00 0.00 C ATOM 384 CG ASP A 213 4.419 6.628 4.979 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.227 5.402 5.131 1.00 0.00 O ATOM 386 OD2 ASP A 213 3.791 7.537 5.562 1.00 0.00 O ATOM 0 H ASP A 213 5.208 5.024 2.771 1.00 0.00 H new ATOM 0 HA ASP A 213 4.126 7.633 2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.375 6.364 4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 213 5.900 8.040 4.309 1.00 0.00 H new ATOM 391 N ASP A 214 6.558 7.262 0.580 1.00 0.00 N ATOM 392 CA ASP A 214 7.285 7.951 -0.478 1.00 0.00 C ATOM 393 C ASP A 214 6.296 8.877 -1.211 1.00 0.00 C ATOM 394 O ASP A 214 5.340 8.369 -1.801 1.00 0.00 O ATOM 395 CB ASP A 214 7.871 6.890 -1.424 1.00 0.00 C ATOM 396 CG ASP A 214 8.573 7.448 -2.663 1.00 0.00 C ATOM 397 OD1 ASP A 214 9.049 8.603 -2.603 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.623 6.693 -3.658 1.00 0.00 O ATOM 0 H ASP A 214 6.473 6.258 0.420 1.00 0.00 H new ATOM 0 HA ASP A 214 8.103 8.556 -0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.581 6.280 -0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 214 7.067 6.229 -1.747 1.00 0.00 H new ATOM 403 N PRO A 215 6.498 10.212 -1.209 1.00 0.00 N ATOM 404 CA PRO A 215 5.617 11.158 -1.893 1.00 0.00 C ATOM 405 C PRO A 215 5.820 11.181 -3.419 1.00 0.00 C ATOM 406 O PRO A 215 5.199 11.994 -4.103 1.00 0.00 O ATOM 407 CB PRO A 215 5.929 12.513 -1.251 1.00 0.00 C ATOM 408 CG PRO A 215 7.420 12.400 -0.946 1.00 0.00 C ATOM 409 CD PRO A 215 7.574 10.935 -0.541 1.00 0.00 C ATOM 0 HA PRO A 215 4.571 10.876 -1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 215 5.715 13.341 -1.927 1.00 0.00 H new ATOM 0 HB3 PRO A 215 5.342 12.679 -0.348 1.00 0.00 H new ATOM 0 HG2 PRO A 215 8.030 12.645 -1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 215 7.721 13.075 -0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.548 10.548 -0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 215 7.506 10.821 0.541 1.00 0.00 H new ATOM 417 N ASP A 216 6.654 10.273 -3.944 1.00 0.00 N ATOM 418 CA ASP A 216 6.888 10.051 -5.365 1.00 0.00 C ATOM 419 C ASP A 216 6.511 8.610 -5.757 1.00 0.00 C ATOM 420 O ASP A 216 6.743 8.206 -6.898 1.00 0.00 O ATOM 421 CB ASP A 216 8.351 10.408 -5.684 1.00 0.00 C ATOM 422 CG ASP A 216 8.631 10.513 -7.186 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.971 11.357 -7.834 1.00 0.00 O ATOM 424 OD2 ASP A 216 9.511 9.763 -7.661 1.00 0.00 O ATOM 0 H ASP A 216 7.206 9.648 -3.357 1.00 0.00 H new ATOM 0 HA ASP A 216 6.249 10.697 -5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.599 11.356 -5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 216 9.006 9.652 -5.251 1.00 0.00 H new ATOM 429 N CYS A 217 5.898 7.839 -4.838 1.00 0.00 N ATOM 430 CA CYS A 217 5.354 6.520 -5.135 1.00 0.00 C ATOM 431 C CYS A 217 4.288 6.619 -6.234 1.00 0.00 C ATOM 432 O CYS A 217 3.357 7.419 -6.149 1.00 0.00 O ATOM 433 CB CYS A 217 4.752 5.932 -3.862 1.00 0.00 C ATOM 434 SG CYS A 217 4.127 4.258 -4.147 1.00 0.00 S ATOM 0 H CYS A 217 5.771 8.124 -3.867 1.00 0.00 H new ATOM 0 HA CYS A 217 6.152 5.869 -5.493 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.506 5.912 -3.075 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.942 6.571 -3.511 1.00 0.00 H new ATOM 0 HG CYS A 217 4.885 3.401 -3.530 1.00 0.00 H new ATOM 440 N SER A 218 4.431 5.761 -7.247 1.00 0.00 N ATOM 441 CA SER A 218 3.595 5.716 -8.451 1.00 0.00 C ATOM 442 C SER A 218 2.212 5.079 -8.220 1.00 0.00 C ATOM 443 O SER A 218 1.443 4.938 -9.171 1.00 0.00 O ATOM 444 CB SER A 218 4.337 4.940 -9.549 1.00 0.00 C ATOM 445 OG SER A 218 5.624 5.475 -9.783 1.00 0.00 O ATOM 0 H SER A 218 5.162 5.049 -7.252 1.00 0.00 H new ATOM 0 HA SER A 218 3.414 6.749 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.424 3.893 -9.260 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.757 4.969 -10.471 1.00 0.00 H new ATOM 0 HG SER A 218 6.070 4.958 -10.486 1.00 0.00 H new ATOM 451 N ILE A 219 1.909 4.672 -6.978 1.00 0.00 N ATOM 452 CA ILE A 219 0.734 3.889 -6.591 1.00 0.00 C ATOM 453 C ILE A 219 0.091 4.482 -5.322 1.00 0.00 C ATOM 454 O ILE A 219 -1.133 4.488 -5.213 1.00 0.00 O ATOM 455 CB ILE A 219 1.171 2.407 -6.437 1.00 0.00 C ATOM 456 CG1 ILE A 219 1.272 1.731 -7.824 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.246 1.629 -5.491 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.869 0.316 -7.805 1.00 0.00 C ATOM 0 H ILE A 219 2.507 4.892 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.041 3.930 -7.356 1.00 0.00 H new ATOM 0 HB ILE A 219 2.160 2.394 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 219 0.276 1.685 -8.264 1.00 0.00 H new ATOM 0 HG13 ILE A 219 1.880 2.359 -8.476 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.589 0.597 -5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.262 2.092 -4.504 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.771 1.644 -5.883 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.901 -0.079 -8.820 1.00 0.00 H new ATOM 0 HD12 ILE A 219 2.879 0.353 -7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.251 -0.331 -7.183 1.00 0.00 H new ATOM 470 N GLU A 220 0.911 5.026 -4.410 1.00 0.00 N ATOM 471 CA GLU A 220 0.542 5.823 -3.230 1.00 0.00 C ATOM 472 C GLU A 220 -0.073 5.020 -2.068 1.00 0.00 C ATOM 473 O GLU A 220 0.282 5.277 -0.921 1.00 0.00 O ATOM 474 CB GLU A 220 -0.278 7.070 -3.656 1.00 0.00 C ATOM 475 CG GLU A 220 -1.721 7.196 -3.131 1.00 0.00 C ATOM 476 CD GLU A 220 -1.808 7.611 -1.657 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.180 8.636 -1.308 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.516 6.911 -0.901 1.00 0.00 O ATOM 0 H GLU A 220 1.922 4.912 -4.483 1.00 0.00 H new ATOM 0 HA GLU A 220 1.472 6.180 -2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.272 7.956 -3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.315 7.090 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.256 7.927 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.230 6.241 -3.261 1.00 0.00 H new ATOM 485 N TRP A 221 -0.933 4.035 -2.357 1.00 0.00 N ATOM 486 CA TRP A 221 -1.699 3.240 -1.399 1.00 0.00 C ATOM 487 C TRP A 221 -1.532 1.761 -1.755 1.00 0.00 C ATOM 488 O TRP A 221 -1.421 1.383 -2.921 1.00 0.00 O ATOM 489 CB TRP A 221 -3.166 3.686 -1.377 1.00 0.00 C ATOM 490 CG TRP A 221 -4.096 2.727 -1.985 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.468 2.710 -3.271 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.647 1.546 -1.362 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.161 1.542 -3.516 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.286 0.775 -2.370 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.588 1.029 -0.055 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.851 -0.474 -2.080 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.188 -0.202 0.239 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.789 -0.965 -0.766 1.00 0.00 C ATOM 0 H TRP A 221 -1.121 3.759 -3.321 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.324 3.393 -0.387 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.466 3.860 -0.344 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.252 4.639 -1.899 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.260 3.482 -3.997 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.534 1.277 -4.427 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.080 1.581 0.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.328 -1.052 -2.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.186 -0.566 1.256 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.206 -1.933 -0.532 1.00 0.00 H new ATOM 509 N PHE A 222 -1.554 0.920 -0.724 1.00 0.00 N ATOM 510 CA PHE A 222 -1.361 -0.519 -0.836 1.00 0.00 C ATOM 511 C PHE A 222 -2.193 -1.176 0.243 1.00 0.00 C ATOM 512 O PHE A 222 -2.387 -0.627 1.325 1.00 0.00 O ATOM 513 CB PHE A 222 0.108 -0.902 -0.621 1.00 0.00 C ATOM 514 CG PHE A 222 1.048 -0.425 -1.704 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.519 0.898 -1.674 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.430 -1.283 -2.753 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.342 1.381 -2.695 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.277 -0.808 -3.768 1.00 0.00 C ATOM 519 CZ PHE A 222 2.728 0.523 -3.736 1.00 0.00 C ATOM 0 H PHE A 222 -1.711 1.230 0.235 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.656 -0.845 -1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.440 -0.496 0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.180 -1.987 -0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.243 1.547 -0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.073 -2.302 -2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.678 2.407 -2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.581 -1.464 -4.571 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.377 0.888 -4.519 1.00 0.00 H new ATOM 529 N HIS A 223 -2.681 -2.371 -0.071 1.00 0.00 N ATOM 530 CA HIS A 223 -3.493 -3.143 0.845 1.00 0.00 C ATOM 531 C HIS A 223 -2.654 -3.693 1.999 1.00 0.00 C ATOM 532 O HIS A 223 -1.467 -3.988 1.859 1.00 0.00 O ATOM 533 CB HIS A 223 -4.152 -4.240 0.015 1.00 0.00 C ATOM 534 CG HIS A 223 -5.289 -4.996 0.629 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.612 -6.300 0.265 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.213 -4.523 1.516 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.700 -6.603 0.994 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.084 -5.556 1.747 1.00 0.00 N ATOM 0 H HIS A 223 -2.521 -2.827 -0.970 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.257 -2.528 1.321 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.511 -3.789 -0.910 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.381 -4.960 -0.260 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.250 -3.534 1.949 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.200 -7.560 0.978 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -7.884 -5.535 2.380 1.00 0.00 H new ATOM 546 N PHE A 224 -3.324 -3.864 3.137 1.00 0.00 N ATOM 547 CA PHE A 224 -2.840 -4.596 4.309 1.00 0.00 C ATOM 548 C PHE A 224 -2.567 -6.087 4.030 1.00 0.00 C ATOM 549 O PHE A 224 -2.095 -6.784 4.924 1.00 0.00 O ATOM 550 CB PHE A 224 -3.855 -4.428 5.452 1.00 0.00 C ATOM 551 CG PHE A 224 -3.388 -3.562 6.606 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.091 -2.201 6.399 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.329 -4.097 7.908 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.735 -1.383 7.487 1.00 0.00 C ATOM 555 CE2 PHE A 224 -2.978 -3.278 8.994 1.00 0.00 C ATOM 556 CZ PHE A 224 -2.685 -1.920 8.784 1.00 0.00 C ATOM 0 H PHE A 224 -4.259 -3.480 3.275 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.876 -4.172 4.591 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.770 -3.999 5.044 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -4.110 -5.415 5.839 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.137 -1.785 5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.554 -5.140 8.072 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.500 -0.341 7.325 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -2.933 -3.692 9.990 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.421 -1.289 9.620 1.00 0.00 H new ATOM 566 N ALA A 225 -2.810 -6.573 2.805 1.00 0.00 N ATOM 567 CA ALA A 225 -2.403 -7.887 2.340 1.00 0.00 C ATOM 568 C ALA A 225 -1.610 -7.820 1.023 1.00 0.00 C ATOM 569 O ALA A 225 -1.182 -8.862 0.528 1.00 0.00 O ATOM 570 CB ALA A 225 -3.619 -8.816 2.272 1.00 0.00 C ATOM 0 H ALA A 225 -3.311 -6.038 2.096 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.707 -8.313 3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.306 -9.800 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.063 -8.907 3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.354 -8.403 1.582 1.00 0.00 H new ATOM 576 N CYS A 226 -1.361 -6.614 0.476 1.00 0.00 N ATOM 577 CA CYS A 226 -0.403 -6.407 -0.607 1.00 0.00 C ATOM 578 C CYS A 226 1.052 -6.542 -0.112 1.00 0.00 C ATOM 579 O CYS A 226 1.959 -6.599 -0.940 1.00 0.00 O ATOM 580 CB CYS A 226 -0.631 -5.049 -1.259 1.00 0.00 C ATOM 581 SG CYS A 226 -1.930 -5.122 -2.524 1.00 0.00 S ATOM 0 H CYS A 226 -1.825 -5.758 0.780 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.565 -7.185 -1.353 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -0.906 -4.321 -0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.298 -4.702 -1.711 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.949 -6.307 -3.058 1.00 0.00 H new ATOM 587 N VAL A 227 1.272 -6.627 1.214 1.00 0.00 N ATOM 588 CA VAL A 227 2.564 -6.957 1.827 1.00 0.00 C ATOM 589 C VAL A 227 2.445 -7.987 2.969 1.00 0.00 C ATOM 590 O VAL A 227 3.457 -8.504 3.439 1.00 0.00 O ATOM 591 CB VAL A 227 3.275 -5.663 2.264 1.00 0.00 C ATOM 592 CG1 VAL A 227 2.686 -5.130 3.577 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.796 -5.828 2.392 1.00 0.00 C ATOM 0 H VAL A 227 0.536 -6.463 1.901 1.00 0.00 H new ATOM 0 HA VAL A 227 3.179 -7.450 1.074 1.00 0.00 H new ATOM 0 HB VAL A 227 3.099 -4.936 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 227 3.205 -4.216 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 227 1.626 -4.917 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 227 2.808 -5.878 4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 227 5.240 -4.882 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 227 5.018 -6.594 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.212 -6.125 1.429 1.00 0.00 H new ATOM 603 N GLY A 228 1.216 -8.280 3.411 1.00 0.00 N ATOM 604 CA GLY A 228 0.926 -9.202 4.506 1.00 0.00 C ATOM 605 C GLY A 228 0.986 -8.554 5.897 1.00 0.00 C ATOM 606 O GLY A 228 1.480 -9.192 6.827 1.00 0.00 O ATOM 0 H GLY A 228 0.376 -7.869 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.066 -9.627 4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.636 -10.028 4.470 1.00 0.00 H new ATOM 610 N LEU A 229 0.517 -7.303 6.047 1.00 0.00 N ATOM 611 CA LEU A 229 0.389 -6.639 7.348 1.00 0.00 C ATOM 612 C LEU A 229 -0.661 -7.342 8.216 1.00 0.00 C ATOM 613 O LEU A 229 -1.857 -7.279 7.935 1.00 0.00 O ATOM 614 CB LEU A 229 -0.006 -5.155 7.199 1.00 0.00 C ATOM 615 CG LEU A 229 1.075 -4.212 6.647 1.00 0.00 C ATOM 616 CD1 LEU A 229 0.511 -2.791 6.521 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.358 -4.193 7.491 1.00 0.00 C ATOM 0 H LEU A 229 0.216 -6.725 5.263 1.00 0.00 H new ATOM 0 HA LEU A 229 1.367 -6.697 7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -0.876 -5.097 6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.316 -4.784 8.176 1.00 0.00 H new ATOM 0 HG LEU A 229 1.354 -4.598 5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 229 1.282 -2.127 6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -0.342 -2.797 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.192 -2.438 7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.077 -3.507 7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 229 2.123 -3.864 8.503 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.785 -5.195 7.526 1.00 0.00 H new ATOM 746 N TRP A 237 6.096 3.577 6.408 1.00 0.00 N ATOM 747 CA TRP A 237 6.134 2.289 5.726 1.00 0.00 C ATOM 748 C TRP A 237 6.558 2.471 4.257 1.00 0.00 C ATOM 749 O TRP A 237 6.513 3.577 3.714 1.00 0.00 O ATOM 750 CB TRP A 237 4.744 1.661 5.851 1.00 0.00 C ATOM 751 CG TRP A 237 4.527 0.329 5.189 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.854 -0.884 5.686 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.965 0.065 3.870 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.517 -1.870 4.779 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.966 -1.339 3.630 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.504 0.892 2.828 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.508 -1.889 2.420 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.048 0.354 1.611 1.00 0.00 C ATOM 759 CH2 TRP A 237 3.020 -1.035 1.420 1.00 0.00 C ATOM 0 HA TRP A 237 6.872 1.627 6.179 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.518 1.551 6.912 1.00 0.00 H new ATOM 0 HB3 TRP A 237 4.018 2.364 5.441 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.311 -1.057 6.649 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.658 -2.868 4.939 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.500 1.963 2.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.532 -2.957 2.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.718 1.013 0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.623 -1.447 0.504 1.00 0.00 H new ATOM 770 N PHE A 238 6.949 1.363 3.613 1.00 0.00 N ATOM 771 CA PHE A 238 7.335 1.308 2.206 1.00 0.00 C ATOM 772 C PHE A 238 6.764 0.040 1.570 1.00 0.00 C ATOM 773 O PHE A 238 6.775 -1.024 2.190 1.00 0.00 O ATOM 774 CB PHE A 238 8.866 1.292 2.074 1.00 0.00 C ATOM 775 CG PHE A 238 9.585 2.502 2.642 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.788 3.649 1.848 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.079 2.472 3.961 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.496 4.748 2.365 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.782 3.574 4.479 1.00 0.00 C ATOM 780 CZ PHE A 238 11.001 4.708 3.676 1.00 0.00 C ATOM 0 H PHE A 238 7.005 0.456 4.075 1.00 0.00 H new ATOM 0 HA PHE A 238 6.941 2.189 1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.246 0.399 2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.121 1.203 1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.399 3.684 0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.917 1.599 4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.652 5.625 1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.154 3.550 5.493 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.557 5.547 4.067 1.00 0.00 H new ATOM 790 N CYS A 239 6.300 0.146 0.316 1.00 0.00 N ATOM 791 CA CYS A 239 5.792 -0.983 -0.451 1.00 0.00 C ATOM 792 C CYS A 239 6.897 -1.987 -0.811 1.00 0.00 C ATOM 793 O CYS A 239 8.070 -1.626 -0.736 1.00 0.00 O ATOM 794 CB CYS A 239 5.033 -0.421 -1.656 1.00 0.00 C ATOM 795 SG CYS A 239 6.112 0.265 -2.936 1.00 0.00 S ATOM 0 H CYS A 239 6.270 1.030 -0.192 1.00 0.00 H new ATOM 0 HA CYS A 239 5.099 -1.574 0.148 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.423 -1.212 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.349 0.356 -1.314 1.00 0.00 H new ATOM 0 HG CYS A 239 5.413 0.521 -4.002 1.00 0.00 H new ATOM 801 N PRO A 240 6.556 -3.229 -1.220 1.00 0.00 N ATOM 802 CA PRO A 240 7.523 -4.258 -1.614 1.00 0.00 C ATOM 803 C PRO A 240 8.192 -3.983 -2.981 1.00 0.00 C ATOM 804 O PRO A 240 8.510 -4.917 -3.715 1.00 0.00 O ATOM 805 CB PRO A 240 6.741 -5.580 -1.550 1.00 0.00 C ATOM 806 CG PRO A 240 5.314 -5.163 -1.883 1.00 0.00 C ATOM 807 CD PRO A 240 5.209 -3.794 -1.216 1.00 0.00 C ATOM 0 HA PRO A 240 8.382 -4.281 -0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.124 -6.308 -2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.806 -6.038 -0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.148 -5.105 -2.959 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.582 -5.866 -1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.516 -3.150 -1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.829 -3.886 -0.198 1.00 0.00 H new ATOM 815 N ARG A 241 8.423 -2.701 -3.311 1.00 0.00 N ATOM 816 CA ARG A 241 9.225 -2.249 -4.447 1.00 0.00 C ATOM 817 C ARG A 241 10.121 -1.078 -4.026 1.00 0.00 C ATOM 818 O ARG A 241 11.269 -0.997 -4.453 1.00 0.00 O ATOM 819 CB ARG A 241 8.331 -1.838 -5.629 1.00 0.00 C ATOM 820 CG ARG A 241 7.539 -3.013 -6.228 1.00 0.00 C ATOM 821 CD ARG A 241 6.710 -2.583 -7.446 1.00 0.00 C ATOM 822 NE ARG A 241 7.562 -2.181 -8.577 1.00 0.00 N ATOM 823 CZ ARG A 241 7.151 -1.532 -9.677 1.00 0.00 C ATOM 824 NH1 ARG A 241 5.872 -1.191 -9.857 1.00 0.00 N ATOM 825 NH2 ARG A 241 8.040 -1.216 -10.618 1.00 0.00 N ATOM 0 H ARG A 241 8.039 -1.926 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 241 9.852 -3.079 -4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.633 -1.069 -5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.951 -1.392 -6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 241 8.229 -3.805 -6.520 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.878 -3.430 -5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 241 6.063 -3.405 -7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 241 6.060 -1.753 -7.168 1.00 0.00 H new ATOM 0 HE ARG A 241 8.553 -2.417 -8.519 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.177 -1.424 -9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 241 5.590 -0.698 -10.704 1.00 0.00 H new ATOM 0 HH21 ARG A 241 9.021 -1.468 -10.498 1.00 0.00 H new ATOM 0 HH22 ARG A 241 7.739 -0.723 -11.459 1.00 0.00 H new ATOM 839 N CYS A 242 9.613 -0.211 -3.140 1.00 0.00 N ATOM 840 CA CYS A 242 10.330 0.835 -2.454 1.00 0.00 C ATOM 841 C CYS A 242 11.262 0.271 -1.366 1.00 0.00 C ATOM 842 O CYS A 242 12.326 0.836 -1.122 1.00 0.00 O ATOM 843 CB CYS A 242 9.230 1.687 -1.829 1.00 0.00 C ATOM 844 SG CYS A 242 8.484 2.806 -3.052 1.00 0.00 S ATOM 0 H CYS A 242 8.628 -0.236 -2.877 1.00 0.00 H new ATOM 0 HA CYS A 242 10.976 1.397 -3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.460 1.040 -1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.642 2.269 -1.005 1.00 0.00 H new ATOM 0 HG CYS A 242 7.357 2.308 -3.466 1.00 0.00 H new