USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 541 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 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 493 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 442 HIS : no HD1:sc= 0.638 K(o=1.4,f=-0.42) USER MOD Set 2.2: A 500 GLN : amide:sc= 0.777 K(o=1.4,f=0) USER MOD Single : A 439 HIS : no HD1:sc= 0.174 K(o=0.17,f=-1.5!) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.17) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot 180:sc= 0.0493 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= 0.00125 K(o=0.0013,f=-0.78) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 483 GLN : amide:sc= 0.18 K(o=0.18,f=-1.4) USER MOD Single : A 485 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 489 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 490 THR OG1 : rot 6:sc= -0.0933 USER MOD Single : A 491 SER OG : rot -72:sc= 0.945 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 501 THR OG1 : rot 180:sc= 0.499 USER MOD Single : A 502 TYR OH : rot 30:sc= 0.409 USER MOD Single : A 505 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 173 N ARG A 437 -0.705 -9.584 -7.263 1.00 0.00 N ATOM 174 CA ARG A 437 -1.234 -8.314 -6.716 1.00 0.00 C ATOM 175 C ARG A 437 -0.553 -7.057 -7.287 1.00 0.00 C ATOM 176 O ARG A 437 -0.373 -6.049 -6.608 1.00 0.00 O ATOM 177 CB ARG A 437 -1.280 -8.400 -5.178 1.00 0.00 C ATOM 178 CG ARG A 437 -2.486 -9.243 -4.740 1.00 0.00 C ATOM 179 CD ARG A 437 -2.565 -9.393 -3.219 1.00 0.00 C ATOM 180 NE ARG A 437 -1.558 -10.334 -2.692 1.00 0.00 N ATOM 181 CZ ARG A 437 -1.604 -11.654 -2.680 1.00 0.00 C ATOM 182 NH1 ARG A 437 -2.593 -12.329 -3.193 1.00 0.00 N ATOM 183 NH2 ARG A 437 -0.634 -12.330 -2.136 1.00 0.00 N ATOM 0 HA ARG A 437 -2.260 -8.185 -7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 437 -0.358 -8.844 -4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 437 -1.349 -7.400 -4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -3.403 -8.780 -5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 437 -2.423 -10.230 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 437 -2.425 -8.418 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -3.561 -9.739 -2.942 1.00 0.00 H new ATOM 0 HE ARG A 437 -0.722 -9.913 -2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 437 -3.375 -11.838 -3.627 1.00 0.00 H new ATOM 0 HH12 ARG A 437 -2.586 -13.348 -3.161 1.00 0.00 H new ATOM 0 HH21 ARG A 437 0.159 -11.840 -1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -0.666 -13.349 -2.125 1.00 0.00 H new ATOM 197 N ASP A 438 -0.213 -7.095 -8.578 1.00 0.00 N ATOM 198 CA ASP A 438 0.330 -5.950 -9.332 1.00 0.00 C ATOM 199 C ASP A 438 -0.662 -4.766 -9.458 1.00 0.00 C ATOM 200 O ASP A 438 -0.265 -3.638 -9.748 1.00 0.00 O ATOM 201 CB ASP A 438 0.775 -6.453 -10.714 1.00 0.00 C ATOM 202 CG ASP A 438 1.678 -5.453 -11.460 1.00 0.00 C ATOM 203 OD1 ASP A 438 2.707 -5.017 -10.890 1.00 0.00 O ATOM 204 OD2 ASP A 438 1.396 -5.154 -12.645 1.00 0.00 O ATOM 0 H ASP A 438 -0.308 -7.938 -9.145 1.00 0.00 H new ATOM 0 HA ASP A 438 1.179 -5.549 -8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 438 1.308 -7.396 -10.596 1.00 0.00 H new ATOM 0 HB3 ASP A 438 -0.107 -6.659 -11.320 1.00 0.00 H new ATOM 209 N HIS A 439 -1.952 -5.011 -9.197 1.00 0.00 N ATOM 210 CA HIS A 439 -3.038 -4.021 -9.098 1.00 0.00 C ATOM 211 C HIS A 439 -3.231 -3.445 -7.675 1.00 0.00 C ATOM 212 O HIS A 439 -4.224 -2.762 -7.415 1.00 0.00 O ATOM 213 CB HIS A 439 -4.330 -4.683 -9.603 1.00 0.00 C ATOM 214 CG HIS A 439 -4.827 -5.800 -8.713 1.00 0.00 C ATOM 215 ND1 HIS A 439 -4.245 -7.067 -8.591 1.00 0.00 N ATOM 216 CD2 HIS A 439 -5.904 -5.727 -7.878 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.000 -7.731 -7.696 1.00 0.00 C ATOM 218 NE2 HIS A 439 -5.996 -6.948 -7.250 1.00 0.00 N ATOM 0 H HIS A 439 -2.288 -5.961 -9.040 1.00 0.00 H new ATOM 0 HA HIS A 439 -2.770 -3.162 -9.714 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.108 -3.924 -9.688 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.159 -5.077 -10.605 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -6.556 -4.878 -7.738 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -4.829 -8.750 -7.381 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -6.701 -7.213 -6.562 1.00 0.00 H new ATOM 226 N VAL A 440 -2.299 -3.700 -6.747 1.00 0.00 N ATOM 227 CA VAL A 440 -2.377 -3.295 -5.331 1.00 0.00 C ATOM 228 C VAL A 440 -1.178 -2.422 -4.950 1.00 0.00 C ATOM 229 O VAL A 440 -0.031 -2.706 -5.307 1.00 0.00 O ATOM 230 CB VAL A 440 -2.470 -4.531 -4.406 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.650 -4.160 -2.927 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.633 -5.452 -4.800 1.00 0.00 C ATOM 0 H VAL A 440 -1.442 -4.209 -6.964 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.284 -2.706 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.518 -5.046 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.709 -5.069 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.801 -3.562 -2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.568 -3.585 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -3.664 -6.308 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.572 -4.902 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.491 -5.801 -5.823 1.00 0.00 H new ATOM 242 N LEU A 441 -1.451 -1.356 -4.198 1.00 0.00 N ATOM 243 CA LEU A 441 -0.467 -0.450 -3.606 1.00 0.00 C ATOM 244 C LEU A 441 -0.197 -0.780 -2.137 1.00 0.00 C ATOM 245 O LEU A 441 -1.016 -1.394 -1.456 1.00 0.00 O ATOM 246 CB LEU A 441 -1.000 0.998 -3.651 1.00 0.00 C ATOM 247 CG LEU A 441 -1.284 1.567 -5.045 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.892 2.957 -4.894 1.00 0.00 C ATOM 249 CD2 LEU A 441 -0.003 1.671 -5.868 1.00 0.00 C ATOM 0 H LEU A 441 -2.409 -1.088 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 441 0.452 -0.562 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -1.920 1.044 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -0.276 1.646 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 441 -1.972 0.898 -5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -2.099 3.373 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.821 2.888 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -1.192 3.605 -4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -0.235 2.078 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 441 0.703 2.329 -5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 441 0.439 0.681 -5.980 1.00 0.00 H new ATOM 261 N HIS A 442 0.916 -0.256 -1.642 1.00 0.00 N ATOM 262 CA HIS A 442 1.307 -0.154 -0.238 1.00 0.00 C ATOM 263 C HIS A 442 1.440 1.345 0.064 1.00 0.00 C ATOM 264 O HIS A 442 1.939 2.105 -0.770 1.00 0.00 O ATOM 265 CB HIS A 442 2.629 -0.899 -0.007 1.00 0.00 C ATOM 266 CG HIS A 442 3.252 -0.575 1.328 1.00 0.00 C ATOM 267 ND1 HIS A 442 4.177 0.450 1.567 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.919 -1.157 2.515 1.00 0.00 C ATOM 269 CE1 HIS A 442 4.371 0.464 2.898 1.00 0.00 C ATOM 270 NE2 HIS A 442 3.639 -0.496 3.486 1.00 0.00 N ATOM 0 H HIS A 442 1.626 0.140 -2.258 1.00 0.00 H new ATOM 0 HA HIS A 442 0.572 -0.609 0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.452 -1.973 -0.070 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.329 -0.644 -0.802 1.00 0.00 H new ATOM 0 HD2 HIS A 442 2.228 -1.974 2.664 1.00 0.00 H new ATOM 0 HE1 HIS A 442 5.023 1.150 3.419 1.00 0.00 H new ATOM 0 HE2 HIS A 442 3.619 -0.702 4.485 1.00 0.00 H new ATOM 278 N VAL A 443 0.964 1.784 1.225 1.00 0.00 N ATOM 279 CA VAL A 443 0.815 3.205 1.574 1.00 0.00 C ATOM 280 C VAL A 443 1.305 3.431 3.003 1.00 0.00 C ATOM 281 O VAL A 443 1.031 2.618 3.889 1.00 0.00 O ATOM 282 CB VAL A 443 -0.657 3.661 1.440 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.769 5.192 1.409 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.344 3.152 0.165 1.00 0.00 C ATOM 0 H VAL A 443 0.663 1.154 1.969 1.00 0.00 H new ATOM 0 HA VAL A 443 1.414 3.797 0.882 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.150 3.237 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -1.816 5.478 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.362 5.605 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -0.208 5.581 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.373 3.511 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -0.808 3.521 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.339 2.062 0.160 1.00 0.00 H new ATOM 294 N THR A 444 2.002 4.545 3.231 1.00 0.00 N ATOM 295 CA THR A 444 2.596 4.925 4.525 1.00 0.00 C ATOM 296 C THR A 444 2.228 6.371 4.856 1.00 0.00 C ATOM 297 O THR A 444 2.318 7.249 3.994 1.00 0.00 O ATOM 298 CB THR A 444 4.129 4.788 4.503 1.00 0.00 C ATOM 299 OG1 THR A 444 4.542 3.599 3.864 1.00 0.00 O ATOM 300 CG2 THR A 444 4.717 4.732 5.910 1.00 0.00 C ATOM 0 H THR A 444 2.178 5.234 2.500 1.00 0.00 H new ATOM 0 HA THR A 444 2.200 4.251 5.285 1.00 0.00 H new ATOM 0 HB THR A 444 4.483 5.667 3.965 1.00 0.00 H new ATOM 0 HG1 THR A 444 5.521 3.548 3.868 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.801 4.635 5.848 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.465 5.647 6.447 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.306 3.874 6.442 1.00 0.00 H new ATOM 308 N PHE A 445 1.803 6.628 6.094 1.00 0.00 N ATOM 309 CA PHE A 445 1.195 7.898 6.513 1.00 0.00 C ATOM 310 C PHE A 445 1.308 8.134 8.038 1.00 0.00 C ATOM 311 O PHE A 445 1.467 7.173 8.799 1.00 0.00 O ATOM 312 CB PHE A 445 -0.290 7.879 6.086 1.00 0.00 C ATOM 313 CG PHE A 445 -1.006 6.554 6.324 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.305 6.131 7.633 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.299 5.702 5.241 1.00 0.00 C ATOM 316 CE1 PHE A 445 -1.858 4.861 7.859 1.00 0.00 C ATOM 317 CE2 PHE A 445 -1.855 4.430 5.465 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.131 4.007 6.775 1.00 0.00 C ATOM 0 H PHE A 445 1.872 5.948 6.851 1.00 0.00 H new ATOM 0 HA PHE A 445 1.731 8.717 6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -0.819 8.664 6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -0.352 8.124 5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.108 6.787 8.468 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -1.095 6.028 4.232 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.074 4.539 8.867 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.069 3.779 4.630 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.552 3.028 6.950 1.00 0.00 H new ATOM 328 N PRO A 446 1.211 9.392 8.518 1.00 0.00 N ATOM 329 CA PRO A 446 1.066 9.701 9.944 1.00 0.00 C ATOM 330 C PRO A 446 -0.148 8.990 10.565 1.00 0.00 C ATOM 331 O PRO A 446 -1.195 8.871 9.924 1.00 0.00 O ATOM 332 CB PRO A 446 0.906 11.225 10.024 1.00 0.00 C ATOM 333 CG PRO A 446 1.550 11.731 8.736 1.00 0.00 C ATOM 334 CD PRO A 446 1.244 10.619 7.737 1.00 0.00 C ATOM 0 HA PRO A 446 1.932 9.352 10.507 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -0.143 11.514 10.086 1.00 0.00 H new ATOM 0 HB3 PRO A 446 1.401 11.633 10.905 1.00 0.00 H new ATOM 0 HG2 PRO A 446 1.126 12.684 8.421 1.00 0.00 H new ATOM 0 HG3 PRO A 446 2.623 11.883 8.854 1.00 0.00 H new ATOM 0 HD2 PRO A 446 0.291 10.792 7.237 1.00 0.00 H new ATOM 0 HD3 PRO A 446 2.007 10.569 6.960 1.00 0.00 H new ATOM 342 N LYS A 447 -0.042 8.565 11.831 1.00 0.00 N ATOM 343 CA LYS A 447 -1.087 7.793 12.542 1.00 0.00 C ATOM 344 C LYS A 447 -2.476 8.448 12.580 1.00 0.00 C ATOM 345 O LYS A 447 -3.484 7.753 12.700 1.00 0.00 O ATOM 346 CB LYS A 447 -0.606 7.431 13.958 1.00 0.00 C ATOM 347 CG LYS A 447 -0.478 8.642 14.899 1.00 0.00 C ATOM 348 CD LYS A 447 0.003 8.214 16.292 1.00 0.00 C ATOM 349 CE LYS A 447 0.152 9.408 17.248 1.00 0.00 C ATOM 350 NZ LYS A 447 -1.155 10.013 17.615 1.00 0.00 N ATOM 0 H LYS A 447 0.782 8.747 12.404 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.232 6.888 11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.301 6.714 14.396 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.361 6.934 13.887 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.221 9.363 14.475 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.442 9.144 14.983 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.703 7.499 16.714 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.961 7.701 16.202 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.664 9.082 18.153 1.00 0.00 H new ATOM 0 HE3 LYS A 447 0.781 10.166 16.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -1.016 10.698 18.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -1.557 10.499 16.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -1.807 9.266 17.929 1.00 0.00 H new ATOM 364 N GLU A 448 -2.535 9.775 12.453 1.00 0.00 N ATOM 365 CA GLU A 448 -3.772 10.568 12.424 1.00 0.00 C ATOM 366 C GLU A 448 -4.689 10.248 11.223 1.00 0.00 C ATOM 367 O GLU A 448 -5.892 10.515 11.286 1.00 0.00 O ATOM 368 CB GLU A 448 -3.424 12.068 12.413 1.00 0.00 C ATOM 369 CG GLU A 448 -2.550 12.537 13.590 1.00 0.00 C ATOM 370 CD GLU A 448 -3.192 12.255 14.961 1.00 0.00 C ATOM 371 OE1 GLU A 448 -4.245 12.858 15.284 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.636 11.437 15.734 1.00 0.00 O ATOM 0 H GLU A 448 -1.697 10.349 12.364 1.00 0.00 H new ATOM 0 HA GLU A 448 -4.329 10.301 13.322 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.909 12.300 11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -4.351 12.642 12.416 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -1.582 12.039 13.538 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -2.364 13.607 13.494 1.00 0.00 H new ATOM 379 N TRP A 449 -4.150 9.667 10.142 1.00 0.00 N ATOM 380 CA TRP A 449 -4.925 9.206 8.983 1.00 0.00 C ATOM 381 C TRP A 449 -5.903 8.075 9.340 1.00 0.00 C ATOM 382 O TRP A 449 -5.652 7.266 10.243 1.00 0.00 O ATOM 383 CB TRP A 449 -3.978 8.731 7.870 1.00 0.00 C ATOM 384 CG TRP A 449 -3.353 9.804 7.027 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.593 10.830 7.475 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.419 9.963 5.574 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.198 11.617 6.409 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.680 11.129 5.214 1.00 0.00 C ATOM 389 CE3 TRP A 449 -4.032 9.241 4.525 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.563 11.565 3.886 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -3.927 9.674 3.188 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.195 10.832 2.867 1.00 0.00 C ATOM 0 H TRP A 449 -3.148 9.502 10.048 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.515 10.055 8.638 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -3.180 8.146 8.326 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.531 8.059 7.214 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -2.334 11.007 8.508 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -1.622 12.454 6.496 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -4.589 8.344 4.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -1.995 12.452 3.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -4.412 9.112 2.403 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.119 11.157 1.840 1.00 0.00 H new ATOM 403 N LYS A 450 -6.991 7.983 8.571 1.00 0.00 N ATOM 404 CA LYS A 450 -8.040 6.955 8.668 1.00 0.00 C ATOM 405 C LYS A 450 -8.402 6.384 7.291 1.00 0.00 C ATOM 406 O LYS A 450 -8.012 6.924 6.254 1.00 0.00 O ATOM 407 CB LYS A 450 -9.277 7.535 9.370 1.00 0.00 C ATOM 408 CG LYS A 450 -8.944 8.122 10.751 1.00 0.00 C ATOM 409 CD LYS A 450 -10.207 8.152 11.610 1.00 0.00 C ATOM 410 CE LYS A 450 -10.036 8.977 12.892 1.00 0.00 C ATOM 411 NZ LYS A 450 -9.068 8.356 13.834 1.00 0.00 N ATOM 0 H LYS A 450 -7.177 8.655 7.826 1.00 0.00 H new ATOM 0 HA LYS A 450 -7.654 6.128 9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -9.716 8.312 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -10.028 6.753 9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -8.175 7.522 11.237 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -8.541 9.129 10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -11.029 8.565 11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -10.485 7.132 11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -9.697 9.980 12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -11.002 9.084 13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -8.984 8.947 14.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -9.403 7.409 14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -8.138 8.277 13.374 1.00 0.00 H new ATOM 425 N THR A 451 -9.218 5.330 7.274 1.00 0.00 N ATOM 426 CA THR A 451 -9.817 4.735 6.066 1.00 0.00 C ATOM 427 C THR A 451 -10.503 5.783 5.178 1.00 0.00 C ATOM 428 O THR A 451 -10.427 5.705 3.955 1.00 0.00 O ATOM 429 CB THR A 451 -10.842 3.655 6.454 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.394 2.871 7.541 1.00 0.00 O ATOM 431 CG2 THR A 451 -11.138 2.695 5.306 1.00 0.00 C ATOM 0 H THR A 451 -9.494 4.845 8.128 1.00 0.00 H new ATOM 0 HA THR A 451 -9.001 4.291 5.496 1.00 0.00 H new ATOM 0 HB THR A 451 -11.743 4.206 6.723 1.00 0.00 H new ATOM 0 HG1 THR A 451 -11.071 2.197 7.760 1.00 0.00 H new ATOM 0 HG21 THR A 451 -11.867 1.953 5.631 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.541 3.252 4.460 1.00 0.00 H new ATOM 0 HG23 THR A 451 -10.218 2.193 5.005 1.00 0.00 H new ATOM 439 N SER A 452 -11.117 6.809 5.775 1.00 0.00 N ATOM 440 CA SER A 452 -11.727 7.935 5.052 1.00 0.00 C ATOM 441 C SER A 452 -10.720 8.801 4.282 1.00 0.00 C ATOM 442 O SER A 452 -10.976 9.167 3.135 1.00 0.00 O ATOM 443 CB SER A 452 -12.462 8.846 6.031 1.00 0.00 C ATOM 444 OG SER A 452 -13.546 8.157 6.639 1.00 0.00 O ATOM 0 H SER A 452 -11.207 6.884 6.788 1.00 0.00 H new ATOM 0 HA SER A 452 -12.403 7.481 4.327 1.00 0.00 H new ATOM 0 HB2 SER A 452 -11.771 9.197 6.798 1.00 0.00 H new ATOM 0 HB3 SER A 452 -12.832 9.728 5.508 1.00 0.00 H new ATOM 0 HG SER A 452 -14.005 8.756 7.265 1.00 0.00 H new ATOM 450 N ASP A 453 -9.562 9.111 4.875 1.00 0.00 N ATOM 451 CA ASP A 453 -8.479 9.833 4.189 1.00 0.00 C ATOM 452 C ASP A 453 -7.883 8.992 3.052 1.00 0.00 C ATOM 453 O ASP A 453 -7.472 9.525 2.021 1.00 0.00 O ATOM 454 CB ASP A 453 -7.362 10.206 5.174 1.00 0.00 C ATOM 455 CG ASP A 453 -7.866 11.053 6.347 1.00 0.00 C ATOM 456 OD1 ASP A 453 -8.177 12.252 6.149 1.00 0.00 O ATOM 457 OD2 ASP A 453 -7.943 10.510 7.474 1.00 0.00 O ATOM 0 H ASP A 453 -9.347 8.870 5.842 1.00 0.00 H new ATOM 0 HA ASP A 453 -8.912 10.741 3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -6.904 9.295 5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.584 10.754 4.643 1.00 0.00 H new ATOM 462 N LEU A 454 -7.886 7.666 3.219 1.00 0.00 N ATOM 463 CA LEU A 454 -7.451 6.712 2.194 1.00 0.00 C ATOM 464 C LEU A 454 -8.453 6.642 1.026 1.00 0.00 C ATOM 465 O LEU A 454 -8.047 6.745 -0.134 1.00 0.00 O ATOM 466 CB LEU A 454 -7.191 5.344 2.857 1.00 0.00 C ATOM 467 CG LEU A 454 -5.923 5.311 3.733 1.00 0.00 C ATOM 468 CD1 LEU A 454 -5.889 4.017 4.545 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.639 5.382 2.899 1.00 0.00 C ATOM 0 H LEU A 454 -8.195 7.219 4.082 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.516 7.051 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -8.052 5.078 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -7.105 4.584 2.080 1.00 0.00 H new ATOM 0 HG LEU A 454 -5.965 6.184 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -4.991 3.998 5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -6.770 3.965 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -5.882 3.163 3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -3.773 5.356 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.601 4.532 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.629 6.309 2.325 1.00 0.00 H new ATOM 481 N TYR A 455 -9.763 6.582 1.301 1.00 0.00 N ATOM 482 CA TYR A 455 -10.801 6.740 0.272 1.00 0.00 C ATOM 483 C TYR A 455 -10.674 8.080 -0.471 1.00 0.00 C ATOM 484 O TYR A 455 -10.771 8.103 -1.697 1.00 0.00 O ATOM 485 CB TYR A 455 -12.211 6.589 0.873 1.00 0.00 C ATOM 486 CG TYR A 455 -12.686 5.159 1.074 1.00 0.00 C ATOM 487 CD1 TYR A 455 -12.838 4.308 -0.040 1.00 0.00 C ATOM 488 CD2 TYR A 455 -13.042 4.695 2.356 1.00 0.00 C ATOM 489 CE1 TYR A 455 -13.301 2.989 0.130 1.00 0.00 C ATOM 490 CE2 TYR A 455 -13.519 3.380 2.529 1.00 0.00 C ATOM 491 CZ TYR A 455 -13.638 2.518 1.417 1.00 0.00 C ATOM 492 OH TYR A 455 -14.088 1.243 1.574 1.00 0.00 O ATOM 0 H TYR A 455 -10.132 6.423 2.238 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.649 5.942 -0.455 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -12.233 7.100 1.836 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -12.921 7.101 0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -12.598 4.670 -1.029 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -12.949 5.350 3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -13.398 2.337 -0.726 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -13.794 3.031 3.513 1.00 0.00 H new ATOM 0 HH TYR A 455 -14.274 1.076 2.522 1.00 0.00 H new ATOM 502 N GLN A 456 -10.400 9.184 0.233 1.00 0.00 N ATOM 503 CA GLN A 456 -10.191 10.502 -0.380 1.00 0.00 C ATOM 504 C GLN A 456 -8.932 10.558 -1.273 1.00 0.00 C ATOM 505 O GLN A 456 -8.974 11.152 -2.353 1.00 0.00 O ATOM 506 CB GLN A 456 -10.151 11.566 0.731 1.00 0.00 C ATOM 507 CG GLN A 456 -10.182 13.000 0.178 1.00 0.00 C ATOM 508 CD GLN A 456 -10.238 14.035 1.301 1.00 0.00 C ATOM 509 OE1 GLN A 456 -9.239 14.375 1.922 1.00 0.00 O ATOM 510 NE2 GLN A 456 -11.399 14.575 1.611 1.00 0.00 N ATOM 0 H GLN A 456 -10.316 9.189 1.250 1.00 0.00 H new ATOM 0 HA GLN A 456 -11.026 10.705 -1.051 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -11.000 11.420 1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -9.249 11.430 1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -9.297 13.174 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -11.048 13.121 -0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -12.240 14.302 1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -11.457 15.266 2.359 1.00 0.00 H new ATOM 519 N LEU A 457 -7.832 9.911 -0.864 1.00 0.00 N ATOM 520 CA LEU A 457 -6.564 9.867 -1.607 1.00 0.00 C ATOM 521 C LEU A 457 -6.691 9.106 -2.940 1.00 0.00 C ATOM 522 O LEU A 457 -6.080 9.502 -3.935 1.00 0.00 O ATOM 523 CB LEU A 457 -5.484 9.247 -0.692 1.00 0.00 C ATOM 524 CG LEU A 457 -4.100 9.040 -1.341 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.491 10.340 -1.868 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.117 8.452 -0.326 1.00 0.00 C ATOM 0 H LEU A 457 -7.798 9.391 0.013 1.00 0.00 H new ATOM 0 HA LEU A 457 -6.275 10.882 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -5.363 9.886 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.846 8.283 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 457 -4.262 8.361 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.518 10.132 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -4.150 10.771 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.370 11.045 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -2.145 8.312 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -3.014 9.134 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.490 7.491 0.027 1.00 0.00 H new ATOM 538 N PHE A 458 -7.514 8.055 -2.977 1.00 0.00 N ATOM 539 CA PHE A 458 -7.628 7.148 -4.133 1.00 0.00 C ATOM 540 C PHE A 458 -8.975 7.228 -4.882 1.00 0.00 C ATOM 541 O PHE A 458 -9.189 6.496 -5.850 1.00 0.00 O ATOM 542 CB PHE A 458 -7.252 5.726 -3.688 1.00 0.00 C ATOM 543 CG PHE A 458 -5.822 5.599 -3.191 1.00 0.00 C ATOM 544 CD1 PHE A 458 -4.751 5.741 -4.092 1.00 0.00 C ATOM 545 CD2 PHE A 458 -5.552 5.366 -1.829 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.425 5.669 -3.634 1.00 0.00 C ATOM 547 CE2 PHE A 458 -4.226 5.285 -1.372 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.160 5.439 -2.274 1.00 0.00 C ATOM 0 H PHE A 458 -8.127 7.803 -2.202 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.919 7.480 -4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -7.932 5.411 -2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.399 5.043 -4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -4.949 5.906 -5.141 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -6.369 5.249 -1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.607 5.791 -4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -4.026 5.104 -0.326 1.00 0.00 H new ATOM 0 HZ PHE A 458 -2.140 5.381 -1.923 1.00 0.00 H new ATOM 558 N SER A 459 -9.855 8.168 -4.511 1.00 0.00 N ATOM 559 CA SER A 459 -11.128 8.470 -5.201 1.00 0.00 C ATOM 560 C SER A 459 -10.959 8.756 -6.705 1.00 0.00 C ATOM 561 O SER A 459 -11.824 8.408 -7.515 1.00 0.00 O ATOM 562 CB SER A 459 -11.801 9.668 -4.515 1.00 0.00 C ATOM 563 OG SER A 459 -13.092 9.915 -5.048 1.00 0.00 O ATOM 0 H SER A 459 -9.700 8.762 -3.696 1.00 0.00 H new ATOM 0 HA SER A 459 -11.751 7.579 -5.127 1.00 0.00 H new ATOM 0 HB2 SER A 459 -11.878 9.479 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 459 -11.180 10.555 -4.638 1.00 0.00 H new ATOM 0 HG SER A 459 -13.494 10.682 -4.589 1.00 0.00 H new ATOM 569 N ALA A 460 -9.807 9.315 -7.102 1.00 0.00 N ATOM 570 CA ALA A 460 -9.413 9.573 -8.491 1.00 0.00 C ATOM 571 C ALA A 460 -9.363 8.322 -9.404 1.00 0.00 C ATOM 572 O ALA A 460 -9.290 8.459 -10.629 1.00 0.00 O ATOM 573 CB ALA A 460 -8.054 10.287 -8.466 1.00 0.00 C ATOM 0 H ALA A 460 -9.095 9.612 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 460 -10.189 10.193 -8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -7.733 10.493 -9.487 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -8.146 11.225 -7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -7.318 9.651 -7.975 1.00 0.00 H new ATOM 579 N PHE A 461 -9.429 7.114 -8.831 1.00 0.00 N ATOM 580 CA PHE A 461 -9.354 5.827 -9.535 1.00 0.00 C ATOM 581 C PHE A 461 -10.668 5.017 -9.481 1.00 0.00 C ATOM 582 O PHE A 461 -10.727 3.902 -10.007 1.00 0.00 O ATOM 583 CB PHE A 461 -8.167 5.039 -8.957 1.00 0.00 C ATOM 584 CG PHE A 461 -6.835 5.766 -9.050 1.00 0.00 C ATOM 585 CD1 PHE A 461 -6.288 6.087 -10.308 1.00 0.00 C ATOM 586 CD2 PHE A 461 -6.153 6.148 -7.878 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.063 6.770 -10.394 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.933 6.842 -7.965 1.00 0.00 C ATOM 589 CZ PHE A 461 -4.384 7.147 -9.223 1.00 0.00 C ATOM 0 H PHE A 461 -9.541 7.001 -7.823 1.00 0.00 H new ATOM 0 HA PHE A 461 -9.199 6.019 -10.597 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -8.372 4.810 -7.911 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -8.087 4.087 -9.482 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -6.812 5.807 -11.210 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.568 5.907 -6.910 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.643 7.005 -11.361 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.417 7.141 -7.065 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.442 7.670 -9.289 1.00 0.00 H new ATOM 599 N GLY A 462 -11.732 5.566 -8.879 1.00 0.00 N ATOM 600 CA GLY A 462 -13.029 4.897 -8.710 1.00 0.00 C ATOM 601 C GLY A 462 -13.153 4.180 -7.361 1.00 0.00 C ATOM 602 O GLY A 462 -12.543 4.587 -6.368 1.00 0.00 O ATOM 0 H GLY A 462 -11.714 6.508 -8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -13.828 5.633 -8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -13.169 4.175 -9.515 1.00 0.00 H new ATOM 606 N ASN A 463 -13.956 3.113 -7.312 1.00 0.00 N ATOM 607 CA ASN A 463 -14.023 2.199 -6.165 1.00 0.00 C ATOM 608 C ASN A 463 -12.675 1.485 -5.904 1.00 0.00 C ATOM 609 O ASN A 463 -11.900 1.229 -6.830 1.00 0.00 O ATOM 610 CB ASN A 463 -15.174 1.197 -6.373 1.00 0.00 C ATOM 611 CG ASN A 463 -14.945 0.238 -7.533 1.00 0.00 C ATOM 612 OD1 ASN A 463 -15.034 0.602 -8.699 1.00 0.00 O ATOM 613 ND2 ASN A 463 -14.657 -1.017 -7.262 1.00 0.00 N ATOM 0 H ASN A 463 -14.584 2.856 -8.074 1.00 0.00 H new ATOM 0 HA ASN A 463 -14.226 2.786 -5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -15.313 0.621 -5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -16.098 1.749 -6.546 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -14.509 -1.682 -8.021 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -14.582 -1.325 -6.293 1.00 0.00 H new ATOM 620 N ILE A 464 -12.419 1.140 -4.638 1.00 0.00 N ATOM 621 CA ILE A 464 -11.158 0.557 -4.133 1.00 0.00 C ATOM 622 C ILE A 464 -11.425 -0.462 -3.008 1.00 0.00 C ATOM 623 O ILE A 464 -12.571 -0.655 -2.589 1.00 0.00 O ATOM 624 CB ILE A 464 -10.195 1.674 -3.639 1.00 0.00 C ATOM 625 CG1 ILE A 464 -10.756 2.423 -2.409 1.00 0.00 C ATOM 626 CG2 ILE A 464 -9.819 2.641 -4.775 1.00 0.00 C ATOM 627 CD1 ILE A 464 -9.835 3.527 -1.883 1.00 0.00 C ATOM 0 H ILE A 464 -13.112 1.262 -3.899 1.00 0.00 H new ATOM 0 HA ILE A 464 -10.682 0.029 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 464 -9.277 1.183 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -11.719 2.861 -2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -10.939 1.704 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -9.145 3.408 -4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -9.324 2.089 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -10.721 3.113 -5.165 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -10.297 4.006 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -8.879 3.094 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -9.672 4.268 -2.665 1.00 0.00 H new ATOM 639 N GLN A 465 -10.365 -1.076 -2.474 1.00 0.00 N ATOM 640 CA GLN A 465 -10.396 -1.894 -1.253 1.00 0.00 C ATOM 641 C GLN A 465 -9.163 -1.574 -0.395 1.00 0.00 C ATOM 642 O GLN A 465 -8.087 -1.331 -0.941 1.00 0.00 O ATOM 643 CB GLN A 465 -10.452 -3.388 -1.629 1.00 0.00 C ATOM 644 CG GLN A 465 -10.961 -4.263 -0.471 1.00 0.00 C ATOM 645 CD GLN A 465 -11.107 -5.739 -0.849 1.00 0.00 C ATOM 646 OE1 GLN A 465 -10.461 -6.266 -1.748 1.00 0.00 O ATOM 647 NE2 GLN A 465 -11.971 -6.475 -0.178 1.00 0.00 N ATOM 0 H GLN A 465 -9.435 -1.018 -2.889 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.287 -1.663 -0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -11.103 -3.519 -2.493 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -9.458 -3.723 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -10.274 -4.176 0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -11.926 -3.884 -0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -12.520 -6.059 0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -12.091 -7.461 -0.411 1.00 0.00 H new ATOM 656 N ILE A 466 -9.304 -1.567 0.934 1.00 0.00 N ATOM 657 CA ILE A 466 -8.271 -1.118 1.886 1.00 0.00 C ATOM 658 C ILE A 466 -8.035 -2.213 2.940 1.00 0.00 C ATOM 659 O ILE A 466 -8.989 -2.722 3.537 1.00 0.00 O ATOM 660 CB ILE A 466 -8.691 0.224 2.546 1.00 0.00 C ATOM 661 CG1 ILE A 466 -8.933 1.334 1.490 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.615 0.675 3.558 1.00 0.00 C ATOM 663 CD1 ILE A 466 -9.612 2.593 2.046 1.00 0.00 C ATOM 0 H ILE A 466 -10.159 -1.880 1.394 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.336 -0.944 1.354 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.633 0.057 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -7.977 1.615 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.548 0.928 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -7.918 1.617 4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.502 -0.085 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.665 0.812 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -9.745 3.319 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -10.585 2.329 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -8.990 3.027 2.829 1.00 0.00 H new ATOM 675 N SER A 467 -6.765 -2.555 3.177 1.00 0.00 N ATOM 676 CA SER A 467 -6.327 -3.643 4.059 1.00 0.00 C ATOM 677 C SER A 467 -5.128 -3.210 4.912 1.00 0.00 C ATOM 678 O SER A 467 -3.989 -3.195 4.443 1.00 0.00 O ATOM 679 CB SER A 467 -5.963 -4.873 3.220 1.00 0.00 C ATOM 680 OG SER A 467 -7.115 -5.433 2.602 1.00 0.00 O ATOM 0 H SER A 467 -5.983 -2.063 2.744 1.00 0.00 H new ATOM 0 HA SER A 467 -7.146 -3.895 4.732 1.00 0.00 H new ATOM 0 HB2 SER A 467 -5.237 -4.594 2.456 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.487 -5.621 3.854 1.00 0.00 H new ATOM 0 HG SER A 467 -6.854 -6.215 2.072 1.00 0.00 H new ATOM 686 N TRP A 468 -5.380 -2.823 6.164 1.00 0.00 N ATOM 687 CA TRP A 468 -4.354 -2.391 7.125 1.00 0.00 C ATOM 688 C TRP A 468 -3.265 -3.445 7.391 1.00 0.00 C ATOM 689 O TRP A 468 -3.528 -4.651 7.352 1.00 0.00 O ATOM 690 CB TRP A 468 -5.028 -2.044 8.454 1.00 0.00 C ATOM 691 CG TRP A 468 -6.016 -0.921 8.412 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.359 -1.048 8.360 1.00 0.00 C ATOM 693 CD2 TRP A 468 -5.757 0.511 8.506 1.00 0.00 C ATOM 694 NE1 TRP A 468 -7.943 0.206 8.313 1.00 0.00 N ATOM 695 CE2 TRP A 468 -6.999 1.206 8.408 1.00 0.00 C ATOM 696 CE3 TRP A 468 -4.599 1.286 8.714 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -7.079 2.605 8.450 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -4.677 2.690 8.782 1.00 0.00 C ATOM 699 CH2 TRP A 468 -5.904 3.355 8.624 1.00 0.00 C ATOM 0 H TRP A 468 -6.324 -2.799 6.550 1.00 0.00 H new ATOM 0 HA TRP A 468 -3.860 -1.528 6.679 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -5.535 -2.935 8.826 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -4.253 -1.793 9.178 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -7.896 -1.985 8.356 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -8.945 0.370 8.220 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -3.642 0.798 8.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -8.033 3.101 8.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -3.780 3.265 8.958 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -5.944 4.434 8.636 1.00 0.00 H new ATOM 710 N ILE A 469 -2.064 -2.978 7.756 1.00 0.00 N ATOM 711 CA ILE A 469 -0.958 -3.808 8.257 1.00 0.00 C ATOM 712 C ILE A 469 -0.276 -3.227 9.508 1.00 0.00 C ATOM 713 O ILE A 469 0.314 -3.983 10.283 1.00 0.00 O ATOM 714 CB ILE A 469 0.084 -4.077 7.153 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.645 -2.792 6.508 1.00 0.00 C ATOM 716 CG2 ILE A 469 -0.499 -5.023 6.095 1.00 0.00 C ATOM 717 CD1 ILE A 469 1.840 -3.038 5.582 1.00 0.00 C ATOM 0 H ILE A 469 -1.827 -1.987 7.710 1.00 0.00 H new ATOM 0 HA ILE A 469 -1.410 -4.753 8.557 1.00 0.00 H new ATOM 0 HB ILE A 469 0.936 -4.557 7.634 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -0.148 -2.305 5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 469 0.944 -2.101 7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 469 0.246 -5.206 5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -0.774 -5.968 6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -1.383 -4.568 5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 469 2.179 -2.089 5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 469 2.651 -3.497 6.148 1.00 0.00 H new ATOM 0 HD13 ILE A 469 1.542 -3.703 4.772 1.00 0.00 H new ATOM 729 N ASP A 470 -0.386 -1.917 9.752 1.00 0.00 N ATOM 730 CA ASP A 470 0.106 -1.255 10.968 1.00 0.00 C ATOM 731 C ASP A 470 -0.676 0.039 11.278 1.00 0.00 C ATOM 732 O ASP A 470 -1.547 0.475 10.519 1.00 0.00 O ATOM 733 CB ASP A 470 1.616 -0.958 10.828 1.00 0.00 C ATOM 734 CG ASP A 470 2.395 -1.195 12.135 1.00 0.00 C ATOM 735 OD1 ASP A 470 2.031 -0.608 13.182 1.00 0.00 O ATOM 736 OD2 ASP A 470 3.384 -1.968 12.125 1.00 0.00 O ATOM 0 H ASP A 470 -0.829 -1.273 9.097 1.00 0.00 H new ATOM 0 HA ASP A 470 -0.053 -1.933 11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 470 2.034 -1.587 10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.750 0.077 10.513 1.00 0.00 H new ATOM 741 N ASP A 471 -0.323 0.687 12.384 1.00 0.00 N ATOM 742 CA ASP A 471 -0.874 1.971 12.840 1.00 0.00 C ATOM 743 C ASP A 471 -0.522 3.151 11.905 1.00 0.00 C ATOM 744 O ASP A 471 -1.140 4.213 11.985 1.00 0.00 O ATOM 745 CB ASP A 471 -0.341 2.224 14.260 1.00 0.00 C ATOM 746 CG ASP A 471 -0.965 3.444 14.956 1.00 0.00 C ATOM 747 OD1 ASP A 471 -2.201 3.451 15.174 1.00 0.00 O ATOM 748 OD2 ASP A 471 -0.206 4.355 15.365 1.00 0.00 O ATOM 0 H ASP A 471 0.386 0.320 13.019 1.00 0.00 H new ATOM 0 HA ASP A 471 -1.962 1.909 12.830 1.00 0.00 H new ATOM 0 HB2 ASP A 471 -0.525 1.339 14.869 1.00 0.00 H new ATOM 0 HB3 ASP A 471 0.739 2.360 14.212 1.00 0.00 H new ATOM 753 N THR A 472 0.447 2.962 11.002 1.00 0.00 N ATOM 754 CA THR A 472 0.996 3.980 10.084 1.00 0.00 C ATOM 755 C THR A 472 1.112 3.493 8.629 1.00 0.00 C ATOM 756 O THR A 472 1.696 4.190 7.793 1.00 0.00 O ATOM 757 CB THR A 472 2.367 4.486 10.583 1.00 0.00 C ATOM 758 OG1 THR A 472 3.274 3.418 10.799 1.00 0.00 O ATOM 759 CG2 THR A 472 2.252 5.241 11.909 1.00 0.00 C ATOM 0 H THR A 472 0.894 2.053 10.882 1.00 0.00 H new ATOM 0 HA THR A 472 0.280 4.802 10.085 1.00 0.00 H new ATOM 0 HB THR A 472 2.732 5.149 9.798 1.00 0.00 H new ATOM 0 HG1 THR A 472 4.131 3.775 11.112 1.00 0.00 H new ATOM 0 HG21 THR A 472 3.240 5.579 12.222 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.597 6.103 11.781 1.00 0.00 H new ATOM 0 HG23 THR A 472 1.837 4.580 12.669 1.00 0.00 H new ATOM 767 N SER A 473 0.575 2.309 8.295 1.00 0.00 N ATOM 768 CA SER A 473 0.614 1.765 6.927 1.00 0.00 C ATOM 769 C SER A 473 -0.482 0.733 6.609 1.00 0.00 C ATOM 770 O SER A 473 -0.989 0.016 7.480 1.00 0.00 O ATOM 771 CB SER A 473 1.999 1.171 6.620 1.00 0.00 C ATOM 772 OG SER A 473 2.374 0.186 7.571 1.00 0.00 O ATOM 0 H SER A 473 0.102 1.702 8.964 1.00 0.00 H new ATOM 0 HA SER A 473 0.413 2.618 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 473 1.992 0.730 5.623 1.00 0.00 H new ATOM 0 HB3 SER A 473 2.742 1.968 6.610 1.00 0.00 H new ATOM 0 HG SER A 473 3.258 -0.170 7.342 1.00 0.00 H new ATOM 778 N ALA A 474 -0.849 0.663 5.326 1.00 0.00 N ATOM 779 CA ALA A 474 -1.900 -0.203 4.784 1.00 0.00 C ATOM 780 C ALA A 474 -1.664 -0.539 3.298 1.00 0.00 C ATOM 781 O ALA A 474 -0.931 0.164 2.599 1.00 0.00 O ATOM 782 CB ALA A 474 -3.247 0.522 4.949 1.00 0.00 C ATOM 0 H ALA A 474 -0.403 1.232 4.607 1.00 0.00 H new ATOM 0 HA ALA A 474 -1.894 -1.147 5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.047 -0.103 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.428 0.717 6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.221 1.466 4.405 1.00 0.00 H new ATOM 788 N PHE A 475 -2.322 -1.587 2.798 1.00 0.00 N ATOM 789 CA PHE A 475 -2.423 -1.888 1.368 1.00 0.00 C ATOM 790 C PHE A 475 -3.724 -1.298 0.793 1.00 0.00 C ATOM 791 O PHE A 475 -4.736 -1.221 1.499 1.00 0.00 O ATOM 792 CB PHE A 475 -2.408 -3.405 1.126 1.00 0.00 C ATOM 793 CG PHE A 475 -1.120 -4.124 1.483 1.00 0.00 C ATOM 794 CD1 PHE A 475 0.071 -3.835 0.789 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.127 -5.139 2.457 1.00 0.00 C ATOM 796 CE1 PHE A 475 1.253 -4.536 1.086 1.00 0.00 C ATOM 797 CE2 PHE A 475 0.048 -5.861 2.733 1.00 0.00 C ATOM 798 CZ PHE A 475 1.239 -5.554 2.055 1.00 0.00 C ATOM 0 H PHE A 475 -2.809 -2.263 3.387 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.564 -1.441 0.869 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.221 -3.852 1.698 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.622 -3.587 0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 475 0.076 -3.071 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -2.037 -5.364 2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 475 2.170 -4.293 0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 475 0.034 -6.653 3.467 1.00 0.00 H new ATOM 0 HZ PHE A 475 2.144 -6.100 2.278 1.00 0.00 H new ATOM 808 N VAL A 476 -3.723 -0.936 -0.496 1.00 0.00 N ATOM 809 CA VAL A 476 -4.899 -0.406 -1.212 1.00 0.00 C ATOM 810 C VAL A 476 -4.989 -0.995 -2.624 1.00 0.00 C ATOM 811 O VAL A 476 -4.137 -0.737 -3.475 1.00 0.00 O ATOM 812 CB VAL A 476 -4.911 1.138 -1.269 1.00 0.00 C ATOM 813 CG1 VAL A 476 -6.189 1.643 -1.956 1.00 0.00 C ATOM 814 CG2 VAL A 476 -4.864 1.765 0.132 1.00 0.00 C ATOM 0 H VAL A 476 -2.892 -1.003 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.777 -0.713 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 476 -4.024 1.431 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -6.179 2.733 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -6.235 1.252 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -7.061 1.304 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.874 2.851 0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.731 1.439 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.953 1.450 0.641 1.00 0.00 H new ATOM 824 N SER A 477 -6.024 -1.792 -2.876 1.00 0.00 N ATOM 825 CA SER A 477 -6.347 -2.363 -4.192 1.00 0.00 C ATOM 826 C SER A 477 -6.987 -1.321 -5.113 1.00 0.00 C ATOM 827 O SER A 477 -7.912 -0.617 -4.700 1.00 0.00 O ATOM 828 CB SER A 477 -7.342 -3.517 -4.031 1.00 0.00 C ATOM 829 OG SER A 477 -6.814 -4.529 -3.187 1.00 0.00 O ATOM 0 H SER A 477 -6.685 -2.070 -2.151 1.00 0.00 H new ATOM 0 HA SER A 477 -5.412 -2.711 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 477 -8.276 -3.141 -3.614 1.00 0.00 H new ATOM 0 HB3 SER A 477 -7.576 -3.939 -5.008 1.00 0.00 H new ATOM 0 HG SER A 477 -7.467 -5.254 -3.098 1.00 0.00 H new ATOM 835 N LEU A 478 -6.558 -1.281 -6.377 1.00 0.00 N ATOM 836 CA LEU A 478 -7.136 -0.460 -7.451 1.00 0.00 C ATOM 837 C LEU A 478 -7.670 -1.362 -8.584 1.00 0.00 C ATOM 838 O LEU A 478 -7.339 -2.548 -8.660 1.00 0.00 O ATOM 839 CB LEU A 478 -6.077 0.535 -7.976 1.00 0.00 C ATOM 840 CG LEU A 478 -5.467 1.496 -6.933 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.501 2.452 -7.631 1.00 0.00 C ATOM 842 CD2 LEU A 478 -6.511 2.351 -6.216 1.00 0.00 C ATOM 0 H LEU A 478 -5.767 -1.841 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 478 -7.976 0.112 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.267 -0.035 -8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.530 1.132 -8.767 1.00 0.00 H new ATOM 0 HG LEU A 478 -4.970 0.868 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.068 3.132 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.706 1.881 -8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -5.039 3.026 -8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -6.015 3.003 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -7.048 2.957 -6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -7.215 1.703 -5.693 1.00 0.00 H new ATOM 854 N SER A 479 -8.508 -0.818 -9.470 1.00 0.00 N ATOM 855 CA SER A 479 -9.175 -1.590 -10.536 1.00 0.00 C ATOM 856 C SER A 479 -8.233 -2.087 -11.644 1.00 0.00 C ATOM 857 O SER A 479 -8.555 -3.072 -12.313 1.00 0.00 O ATOM 858 CB SER A 479 -10.299 -0.768 -11.178 1.00 0.00 C ATOM 859 OG SER A 479 -11.272 -0.408 -10.208 1.00 0.00 O ATOM 0 H SER A 479 -8.748 0.173 -9.473 1.00 0.00 H new ATOM 0 HA SER A 479 -9.573 -2.473 -10.036 1.00 0.00 H new ATOM 0 HB2 SER A 479 -9.884 0.130 -11.636 1.00 0.00 H new ATOM 0 HB3 SER A 479 -10.768 -1.344 -11.975 1.00 0.00 H new ATOM 0 HG SER A 479 -11.981 0.117 -10.635 1.00 0.00 H new ATOM 865 N GLN A 480 -7.077 -1.439 -11.845 1.00 0.00 N ATOM 866 CA GLN A 480 -6.110 -1.759 -12.906 1.00 0.00 C ATOM 867 C GLN A 480 -4.648 -1.474 -12.495 1.00 0.00 C ATOM 868 O GLN A 480 -4.393 -0.480 -11.806 1.00 0.00 O ATOM 869 CB GLN A 480 -6.437 -0.915 -14.155 1.00 0.00 C ATOM 870 CG GLN A 480 -7.410 -1.609 -15.119 1.00 0.00 C ATOM 871 CD GLN A 480 -7.666 -0.773 -16.373 1.00 0.00 C ATOM 872 OE1 GLN A 480 -8.760 -0.273 -16.609 1.00 0.00 O ATOM 873 NE2 GLN A 480 -6.680 -0.583 -17.226 1.00 0.00 N ATOM 0 H GLN A 480 -6.781 -0.658 -11.260 1.00 0.00 H new ATOM 0 HA GLN A 480 -6.196 -2.827 -13.106 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -6.865 0.037 -13.840 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.512 -0.688 -14.684 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -7.005 -2.579 -15.406 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -8.355 -1.796 -14.609 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -5.763 -0.992 -17.045 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -6.833 -0.027 -18.067 1.00 0.00 H new ATOM 882 N PRO A 481 -3.661 -2.267 -12.966 1.00 0.00 N ATOM 883 CA PRO A 481 -2.232 -1.953 -12.842 1.00 0.00 C ATOM 884 C PRO A 481 -1.834 -0.587 -13.427 1.00 0.00 C ATOM 885 O PRO A 481 -0.916 0.061 -12.928 1.00 0.00 O ATOM 886 CB PRO A 481 -1.493 -3.072 -13.581 1.00 0.00 C ATOM 887 CG PRO A 481 -2.471 -4.240 -13.546 1.00 0.00 C ATOM 888 CD PRO A 481 -3.831 -3.554 -13.627 1.00 0.00 C ATOM 0 HA PRO A 481 -1.973 -1.890 -11.785 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -1.251 -2.784 -14.604 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -0.553 -3.323 -13.090 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -2.314 -4.923 -14.381 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -2.368 -4.825 -12.632 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -4.143 -3.424 -14.663 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -4.600 -4.149 -13.134 1.00 0.00 H new ATOM 896 N GLU A 482 -2.534 -0.105 -14.457 1.00 0.00 N ATOM 897 CA GLU A 482 -2.326 1.239 -15.017 1.00 0.00 C ATOM 898 C GLU A 482 -2.591 2.347 -13.978 1.00 0.00 C ATOM 899 O GLU A 482 -1.858 3.335 -13.916 1.00 0.00 O ATOM 900 CB GLU A 482 -3.225 1.453 -16.248 1.00 0.00 C ATOM 901 CG GLU A 482 -2.814 0.638 -17.488 1.00 0.00 C ATOM 902 CD GLU A 482 -3.002 -0.887 -17.347 1.00 0.00 C ATOM 903 OE1 GLU A 482 -4.001 -1.326 -16.726 1.00 0.00 O ATOM 904 OE2 GLU A 482 -2.161 -1.655 -17.873 1.00 0.00 O ATOM 0 H GLU A 482 -3.265 -0.636 -14.930 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.279 1.305 -15.314 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -4.250 1.195 -15.983 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -3.219 2.512 -16.507 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -3.395 0.985 -18.343 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -1.767 0.843 -17.710 1.00 0.00 H new ATOM 911 N GLN A 483 -3.593 2.168 -13.111 1.00 0.00 N ATOM 912 CA GLN A 483 -3.892 3.092 -12.009 1.00 0.00 C ATOM 913 C GLN A 483 -2.814 3.034 -10.912 1.00 0.00 C ATOM 914 O GLN A 483 -2.436 4.071 -10.366 1.00 0.00 O ATOM 915 CB GLN A 483 -5.271 2.776 -11.417 1.00 0.00 C ATOM 916 CG GLN A 483 -6.410 2.902 -12.444 1.00 0.00 C ATOM 917 CD GLN A 483 -7.771 2.600 -11.822 1.00 0.00 C ATOM 918 OE1 GLN A 483 -7.929 1.706 -11.004 1.00 0.00 O ATOM 919 NE2 GLN A 483 -8.802 3.341 -12.165 1.00 0.00 N ATOM 0 H GLN A 483 -4.226 1.370 -13.154 1.00 0.00 H new ATOM 0 HA GLN A 483 -3.898 4.104 -12.413 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.264 1.763 -11.013 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.465 3.450 -10.583 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -6.416 3.910 -12.859 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -6.229 2.218 -13.273 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -8.687 4.091 -12.846 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -9.717 3.166 -11.750 1.00 0.00 H new ATOM 928 N VAL A 484 -2.262 1.843 -10.639 1.00 0.00 N ATOM 929 CA VAL A 484 -1.083 1.667 -9.770 1.00 0.00 C ATOM 930 C VAL A 484 0.122 2.448 -10.305 1.00 0.00 C ATOM 931 O VAL A 484 0.739 3.200 -9.552 1.00 0.00 O ATOM 932 CB VAL A 484 -0.753 0.169 -9.576 1.00 0.00 C ATOM 933 CG1 VAL A 484 0.672 -0.102 -9.076 1.00 0.00 C ATOM 934 CG2 VAL A 484 -1.752 -0.458 -8.602 1.00 0.00 C ATOM 0 H VAL A 484 -2.622 0.966 -11.017 1.00 0.00 H new ATOM 0 HA VAL A 484 -1.325 2.077 -8.789 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.827 -0.283 -10.565 1.00 0.00 H new ATOM 0 HG11 VAL A 484 0.821 -1.176 -8.967 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.391 0.293 -9.794 1.00 0.00 H new ATOM 0 HG13 VAL A 484 0.818 0.385 -8.112 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.516 -1.514 -8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -1.692 0.052 -7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.761 -0.360 -9.002 1.00 0.00 H new ATOM 944 N GLN A 485 0.430 2.337 -11.600 1.00 0.00 N ATOM 945 CA GLN A 485 1.533 3.079 -12.228 1.00 0.00 C ATOM 946 C GLN A 485 1.353 4.604 -12.108 1.00 0.00 C ATOM 947 O GLN A 485 2.314 5.309 -11.786 1.00 0.00 O ATOM 948 CB GLN A 485 1.674 2.663 -13.701 1.00 0.00 C ATOM 949 CG GLN A 485 2.214 1.231 -13.857 1.00 0.00 C ATOM 950 CD GLN A 485 2.250 0.766 -15.316 1.00 0.00 C ATOM 951 OE1 GLN A 485 1.361 1.029 -16.117 1.00 0.00 O ATOM 952 NE2 GLN A 485 3.282 0.056 -15.727 1.00 0.00 N ATOM 0 H GLN A 485 -0.077 1.731 -12.245 1.00 0.00 H new ATOM 0 HA GLN A 485 2.448 2.826 -11.693 1.00 0.00 H new ATOM 0 HB2 GLN A 485 0.703 2.738 -14.191 1.00 0.00 H new ATOM 0 HB3 GLN A 485 2.342 3.358 -14.210 1.00 0.00 H new ATOM 0 HG2 GLN A 485 3.219 1.179 -13.439 1.00 0.00 H new ATOM 0 HG3 GLN A 485 1.592 0.548 -13.278 1.00 0.00 H new ATOM 0 HE21 GLN A 485 4.034 -0.175 -15.077 1.00 0.00 H new ATOM 0 HE22 GLN A 485 3.329 -0.263 -16.695 1.00 0.00 H new ATOM 961 N ILE A 486 0.130 5.117 -12.296 1.00 0.00 N ATOM 962 CA ILE A 486 -0.195 6.539 -12.091 1.00 0.00 C ATOM 963 C ILE A 486 0.023 6.948 -10.624 1.00 0.00 C ATOM 964 O ILE A 486 0.738 7.915 -10.372 1.00 0.00 O ATOM 965 CB ILE A 486 -1.630 6.856 -12.582 1.00 0.00 C ATOM 966 CG1 ILE A 486 -1.721 6.691 -14.118 1.00 0.00 C ATOM 967 CG2 ILE A 486 -2.051 8.291 -12.202 1.00 0.00 C ATOM 968 CD1 ILE A 486 -3.160 6.611 -14.649 1.00 0.00 C ATOM 0 H ILE A 486 -0.667 4.556 -12.596 1.00 0.00 H new ATOM 0 HA ILE A 486 0.488 7.138 -12.693 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.305 6.153 -12.094 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -1.214 7.530 -14.595 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -1.185 5.787 -14.409 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -3.062 8.481 -12.561 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -2.024 8.403 -11.118 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -1.364 9.004 -12.658 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -3.142 6.496 -15.733 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -3.666 5.755 -14.202 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -3.695 7.525 -14.390 1.00 0.00 H new ATOM 980 N ALA A 487 -0.522 6.208 -9.654 1.00 0.00 N ATOM 981 CA ALA A 487 -0.382 6.523 -8.227 1.00 0.00 C ATOM 982 C ALA A 487 1.076 6.472 -7.720 1.00 0.00 C ATOM 983 O ALA A 487 1.481 7.292 -6.893 1.00 0.00 O ATOM 984 CB ALA A 487 -1.262 5.548 -7.440 1.00 0.00 C ATOM 0 H ALA A 487 -1.075 5.370 -9.836 1.00 0.00 H new ATOM 0 HA ALA A 487 -0.701 7.554 -8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -1.177 5.760 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -2.300 5.663 -7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -0.936 4.526 -7.634 1.00 0.00 H new ATOM 990 N VAL A 488 1.887 5.538 -8.230 1.00 0.00 N ATOM 991 CA VAL A 488 3.336 5.487 -7.963 1.00 0.00 C ATOM 992 C VAL A 488 4.050 6.711 -8.557 1.00 0.00 C ATOM 993 O VAL A 488 4.894 7.304 -7.883 1.00 0.00 O ATOM 994 CB VAL A 488 3.938 4.160 -8.474 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.472 4.129 -8.423 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.445 2.984 -7.616 1.00 0.00 C ATOM 0 H VAL A 488 1.559 4.791 -8.843 1.00 0.00 H new ATOM 0 HA VAL A 488 3.490 5.521 -6.884 1.00 0.00 H new ATOM 0 HB VAL A 488 3.613 4.077 -9.511 1.00 0.00 H new ATOM 0 HG11 VAL A 488 5.829 3.169 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 488 5.873 4.931 -9.043 1.00 0.00 H new ATOM 0 HG13 VAL A 488 5.805 4.265 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 488 3.878 2.055 -7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 488 3.749 3.137 -6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.358 2.925 -7.670 1.00 0.00 H new ATOM 1006 N ASN A 489 3.689 7.152 -9.768 1.00 0.00 N ATOM 1007 CA ASN A 489 4.245 8.365 -10.381 1.00 0.00 C ATOM 1008 C ASN A 489 3.893 9.647 -9.597 1.00 0.00 C ATOM 1009 O ASN A 489 4.761 10.485 -9.349 1.00 0.00 O ATOM 1010 CB ASN A 489 3.751 8.465 -11.836 1.00 0.00 C ATOM 1011 CG ASN A 489 4.425 9.600 -12.593 1.00 0.00 C ATOM 1012 OD1 ASN A 489 5.642 9.691 -12.674 1.00 0.00 O ATOM 1013 ND2 ASN A 489 3.664 10.502 -13.171 1.00 0.00 N ATOM 0 H ASN A 489 3.001 6.677 -10.352 1.00 0.00 H new ATOM 0 HA ASN A 489 5.332 8.284 -10.358 1.00 0.00 H new ATOM 0 HB2 ASN A 489 3.944 7.523 -12.349 1.00 0.00 H new ATOM 0 HB3 ASN A 489 2.672 8.616 -11.842 1.00 0.00 H new ATOM 0 HD21 ASN A 489 4.089 11.274 -13.685 1.00 0.00 H new ATOM 0 HD22 ASN A 489 2.649 10.430 -13.106 1.00 0.00 H new ATOM 1020 N THR A 490 2.630 9.803 -9.190 1.00 0.00 N ATOM 1021 CA THR A 490 2.126 11.004 -8.495 1.00 0.00 C ATOM 1022 C THR A 490 2.619 11.133 -7.050 1.00 0.00 C ATOM 1023 O THR A 490 2.702 12.250 -6.529 1.00 0.00 O ATOM 1024 CB THR A 490 0.590 11.066 -8.532 1.00 0.00 C ATOM 1025 OG1 THR A 490 0.012 9.899 -7.999 1.00 0.00 O ATOM 1026 CG2 THR A 490 0.077 11.256 -9.961 1.00 0.00 C ATOM 0 H THR A 490 1.914 9.091 -9.333 1.00 0.00 H new ATOM 0 HA THR A 490 2.538 11.850 -9.045 1.00 0.00 H new ATOM 0 HB THR A 490 0.300 11.922 -7.922 1.00 0.00 H new ATOM 0 HG1 THR A 490 0.715 9.326 -7.628 1.00 0.00 H new ATOM 0 HG21 THR A 490 -1.012 11.296 -9.954 1.00 0.00 H new ATOM 0 HG22 THR A 490 0.472 12.187 -10.369 1.00 0.00 H new ATOM 0 HG23 THR A 490 0.406 10.421 -10.580 1.00 0.00 H new ATOM 1034 N SER A 491 3.035 10.030 -6.413 1.00 0.00 N ATOM 1035 CA SER A 491 3.625 10.026 -5.062 1.00 0.00 C ATOM 1036 C SER A 491 4.916 10.855 -4.921 1.00 0.00 C ATOM 1037 O SER A 491 5.276 11.259 -3.813 1.00 0.00 O ATOM 1038 CB SER A 491 3.853 8.592 -4.580 1.00 0.00 C ATOM 1039 OG SER A 491 5.014 8.013 -5.148 1.00 0.00 O ATOM 0 H SER A 491 2.971 9.100 -6.826 1.00 0.00 H new ATOM 0 HA SER A 491 2.892 10.521 -4.425 1.00 0.00 H new ATOM 0 HB2 SER A 491 3.941 8.586 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 491 2.985 7.983 -4.833 1.00 0.00 H new ATOM 0 HG SER A 491 4.850 7.811 -6.093 1.00 0.00 H new ATOM 1045 N LYS A 492 5.570 11.191 -6.045 1.00 0.00 N ATOM 1046 CA LYS A 492 6.688 12.150 -6.158 1.00 0.00 C ATOM 1047 C LYS A 492 6.385 13.531 -5.543 1.00 0.00 C ATOM 1048 O LYS A 492 7.311 14.239 -5.141 1.00 0.00 O ATOM 1049 CB LYS A 492 7.048 12.251 -7.653 1.00 0.00 C ATOM 1050 CG LYS A 492 8.261 13.142 -7.962 1.00 0.00 C ATOM 1051 CD LYS A 492 8.575 13.124 -9.463 1.00 0.00 C ATOM 1052 CE LYS A 492 9.719 14.096 -9.773 1.00 0.00 C ATOM 1053 NZ LYS A 492 9.922 14.246 -11.236 1.00 0.00 N ATOM 0 H LYS A 492 5.323 10.782 -6.946 1.00 0.00 H new ATOM 0 HA LYS A 492 7.534 11.783 -5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 492 7.244 11.249 -8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 492 6.184 12.635 -8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 492 8.060 14.164 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 492 9.127 12.794 -7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 492 8.850 12.116 -9.773 1.00 0.00 H new ATOM 0 HD3 LYS A 492 7.687 13.401 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 492 9.501 15.069 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 492 10.639 13.737 -9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 10.703 14.910 -11.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 10.154 13.321 -11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 9.051 14.612 -11.672 1.00 0.00 H new ATOM 1067 N TYR A 493 5.103 13.887 -5.420 1.00 0.00 N ATOM 1068 CA TYR A 493 4.609 15.187 -4.941 1.00 0.00 C ATOM 1069 C TYR A 493 3.651 15.054 -3.734 1.00 0.00 C ATOM 1070 O TYR A 493 2.847 15.951 -3.465 1.00 0.00 O ATOM 1071 CB TYR A 493 3.961 15.924 -6.127 1.00 0.00 C ATOM 1072 CG TYR A 493 4.848 16.044 -7.356 1.00 0.00 C ATOM 1073 CD1 TYR A 493 5.886 16.996 -7.385 1.00 0.00 C ATOM 1074 CD2 TYR A 493 4.650 15.190 -8.460 1.00 0.00 C ATOM 1075 CE1 TYR A 493 6.723 17.099 -8.515 1.00 0.00 C ATOM 1076 CE2 TYR A 493 5.484 15.290 -9.591 1.00 0.00 C ATOM 1077 CZ TYR A 493 6.523 16.246 -9.622 1.00 0.00 C ATOM 1078 OH TYR A 493 7.331 16.333 -10.715 1.00 0.00 O ATOM 0 H TYR A 493 4.344 13.250 -5.662 1.00 0.00 H new ATOM 0 HA TYR A 493 5.448 15.772 -4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 493 3.045 15.403 -6.405 1.00 0.00 H new ATOM 0 HB3 TYR A 493 3.673 16.924 -5.803 1.00 0.00 H new ATOM 0 HD1 TYR A 493 6.041 17.649 -6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 493 3.857 14.457 -8.439 1.00 0.00 H new ATOM 0 HE1 TYR A 493 7.517 17.831 -8.534 1.00 0.00 H new ATOM 0 HE2 TYR A 493 5.329 14.635 -10.435 1.00 0.00 H new ATOM 0 HH TYR A 493 7.052 15.671 -11.382 1.00 0.00 H new ATOM 1088 N ALA A 494 3.705 13.924 -3.018 1.00 0.00 N ATOM 1089 CA ALA A 494 2.818 13.600 -1.893 1.00 0.00 C ATOM 1090 C ALA A 494 2.941 14.536 -0.674 1.00 0.00 C ATOM 1091 O ALA A 494 1.941 14.861 -0.034 1.00 0.00 O ATOM 1092 CB ALA A 494 3.115 12.155 -1.479 1.00 0.00 C ATOM 0 H ALA A 494 4.386 13.189 -3.210 1.00 0.00 H new ATOM 0 HA ALA A 494 1.793 13.735 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 494 2.473 11.877 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 494 2.924 11.489 -2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 494 4.159 12.070 -1.179 1.00 0.00 H new ATOM 1098 N GLU A 495 4.167 14.964 -0.366 1.00 0.00 N ATOM 1099 CA GLU A 495 4.628 15.798 0.769 1.00 0.00 C ATOM 1100 C GLU A 495 4.255 15.368 2.214 1.00 0.00 C ATOM 1101 O GLU A 495 4.959 15.761 3.150 1.00 0.00 O ATOM 1102 CB GLU A 495 4.243 17.275 0.538 1.00 0.00 C ATOM 1103 CG GLU A 495 4.760 17.885 -0.775 1.00 0.00 C ATOM 1104 CD GLU A 495 6.298 17.863 -0.866 1.00 0.00 C ATOM 1105 OE1 GLU A 495 6.959 18.777 -0.313 1.00 0.00 O ATOM 1106 OE2 GLU A 495 6.860 16.931 -1.494 1.00 0.00 O ATOM 0 H GLU A 495 4.954 14.713 -0.965 1.00 0.00 H new ATOM 0 HA GLU A 495 5.706 15.640 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 495 3.156 17.358 0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 495 4.622 17.868 1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 495 4.341 17.335 -1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 495 4.408 18.913 -0.858 1.00 0.00 H new ATOM 1113 N SER A 496 3.222 14.542 2.421 1.00 0.00 N ATOM 1114 CA SER A 496 2.675 14.167 3.746 1.00 0.00 C ATOM 1115 C SER A 496 2.361 12.666 3.893 1.00 0.00 C ATOM 1116 O SER A 496 1.838 12.234 4.923 1.00 0.00 O ATOM 1117 CB SER A 496 1.401 14.983 4.033 1.00 0.00 C ATOM 1118 OG SER A 496 1.658 16.381 4.006 1.00 0.00 O ATOM 0 H SER A 496 2.722 14.098 1.651 1.00 0.00 H new ATOM 0 HA SER A 496 3.458 14.393 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 496 0.638 14.738 3.294 1.00 0.00 H new ATOM 0 HB3 SER A 496 1.002 14.705 5.008 1.00 0.00 H new ATOM 0 HG SER A 496 0.829 16.870 4.190 1.00 0.00 H new ATOM 1124 N TYR A 497 2.673 11.862 2.873 1.00 0.00 N ATOM 1125 CA TYR A 497 2.492 10.405 2.805 1.00 0.00 C ATOM 1126 C TYR A 497 3.473 9.802 1.775 1.00 0.00 C ATOM 1127 O TYR A 497 4.217 10.537 1.115 1.00 0.00 O ATOM 1128 CB TYR A 497 1.022 10.077 2.461 1.00 0.00 C ATOM 1129 CG TYR A 497 0.528 10.627 1.131 1.00 0.00 C ATOM 1130 CD1 TYR A 497 0.007 11.934 1.061 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.609 9.841 -0.037 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.400 12.470 -0.175 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.207 10.376 -1.278 1.00 0.00 C ATOM 1134 CZ TYR A 497 -0.289 11.697 -1.351 1.00 0.00 C ATOM 1135 OH TYR A 497 -0.640 12.239 -2.550 1.00 0.00 O ATOM 0 H TYR A 497 3.085 12.233 2.017 1.00 0.00 H new ATOM 0 HA TYR A 497 2.714 9.958 3.774 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.900 8.994 2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 497 0.385 10.465 3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -0.080 12.527 1.959 1.00 0.00 H new ATOM 0 HD2 TYR A 497 0.979 8.828 0.019 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.797 13.473 -0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.278 9.776 -2.173 1.00 0.00 H new ATOM 0 HH TYR A 497 -0.504 11.578 -3.260 1.00 0.00 H new ATOM 1145 N ARG A 498 3.480 8.473 1.615 1.00 0.00 N ATOM 1146 CA ARG A 498 4.285 7.746 0.612 1.00 0.00 C ATOM 1147 C ARG A 498 3.518 6.538 0.062 1.00 0.00 C ATOM 1148 O ARG A 498 2.709 5.944 0.774 1.00 0.00 O ATOM 1149 CB ARG A 498 5.627 7.343 1.266 1.00 0.00 C ATOM 1150 CG ARG A 498 6.628 6.609 0.353 1.00 0.00 C ATOM 1151 CD ARG A 498 7.125 7.454 -0.833 1.00 0.00 C ATOM 1152 NE ARG A 498 7.083 6.689 -2.094 1.00 0.00 N ATOM 1153 CZ ARG A 498 7.602 7.020 -3.260 1.00 0.00 C ATOM 1154 NH1 ARG A 498 8.292 8.110 -3.441 1.00 0.00 N ATOM 1155 NH2 ARG A 498 7.422 6.226 -4.272 1.00 0.00 N ATOM 0 H ARG A 498 2.913 7.852 2.192 1.00 0.00 H new ATOM 0 HA ARG A 498 4.490 8.388 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 498 6.107 8.244 1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 498 5.414 6.706 2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 498 7.486 6.296 0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 498 6.158 5.703 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 498 6.509 8.349 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 498 8.145 7.788 -0.642 1.00 0.00 H new ATOM 0 HE ARG A 498 6.593 5.795 -2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 498 8.450 8.749 -2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 498 8.674 8.324 -4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 498 6.888 5.365 -4.156 1.00 0.00 H new ATOM 0 HH22 ARG A 498 7.815 6.463 -5.183 1.00 0.00 H new ATOM 1169 N ILE A 499 3.794 6.172 -1.194 1.00 0.00 N ATOM 1170 CA ILE A 499 3.179 5.041 -1.912 1.00 0.00 C ATOM 1171 C ILE A 499 4.272 4.155 -2.538 1.00 0.00 C ATOM 1172 O ILE A 499 5.308 4.642 -2.999 1.00 0.00 O ATOM 1173 CB ILE A 499 2.175 5.554 -2.982 1.00 0.00 C ATOM 1174 CG1 ILE A 499 1.019 6.356 -2.337 1.00 0.00 C ATOM 1175 CG2 ILE A 499 1.594 4.405 -3.831 1.00 0.00 C ATOM 1176 CD1 ILE A 499 0.115 7.094 -3.333 1.00 0.00 C ATOM 0 H ILE A 499 4.477 6.672 -1.763 1.00 0.00 H new ATOM 0 HA ILE A 499 2.618 4.432 -1.203 1.00 0.00 H new ATOM 0 HB ILE A 499 2.741 6.214 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 499 0.406 5.674 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 499 1.442 7.083 -1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 499 0.898 4.811 -4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 499 2.404 3.888 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 499 1.069 3.703 -3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -0.665 7.627 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 499 0.710 7.806 -3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.342 6.374 -4.012 1.00 0.00 H new ATOM 1188 N GLN A 500 4.020 2.851 -2.573 1.00 0.00 N ATOM 1189 CA GLN A 500 4.801 1.802 -3.237 1.00 0.00 C ATOM 1190 C GLN A 500 3.828 0.781 -3.863 1.00 0.00 C ATOM 1191 O GLN A 500 2.628 0.829 -3.591 1.00 0.00 O ATOM 1192 CB GLN A 500 5.690 1.089 -2.197 1.00 0.00 C ATOM 1193 CG GLN A 500 6.674 2.002 -1.450 1.00 0.00 C ATOM 1194 CD GLN A 500 7.585 1.209 -0.514 1.00 0.00 C ATOM 1195 OE1 GLN A 500 8.790 1.114 -0.707 1.00 0.00 O ATOM 1196 NE2 GLN A 500 7.062 0.611 0.538 1.00 0.00 N ATOM 0 H GLN A 500 3.201 2.465 -2.102 1.00 0.00 H new ATOM 0 HA GLN A 500 5.431 2.241 -4.011 1.00 0.00 H new ATOM 0 HB2 GLN A 500 5.047 0.598 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.256 0.305 -2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 500 7.281 2.549 -2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 500 6.118 2.742 -0.875 1.00 0.00 H new ATOM 0 HE21 GLN A 500 6.060 0.678 0.717 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.659 0.082 1.173 1.00 0.00 H new ATOM 1205 N THR A 501 4.299 -0.158 -4.688 1.00 0.00 N ATOM 1206 CA THR A 501 3.466 -1.314 -5.083 1.00 0.00 C ATOM 1207 C THR A 501 3.456 -2.364 -3.962 1.00 0.00 C ATOM 1208 O THR A 501 4.321 -2.365 -3.079 1.00 0.00 O ATOM 1209 CB THR A 501 3.917 -1.973 -6.397 1.00 0.00 C ATOM 1210 OG1 THR A 501 5.151 -2.633 -6.244 1.00 0.00 O ATOM 1211 CG2 THR A 501 4.063 -0.972 -7.539 1.00 0.00 C ATOM 0 H THR A 501 5.235 -0.149 -5.093 1.00 0.00 H new ATOM 0 HA THR A 501 2.462 -0.924 -5.251 1.00 0.00 H new ATOM 0 HB THR A 501 3.131 -2.686 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 501 5.410 -3.043 -7.095 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.383 -1.493 -8.441 1.00 0.00 H new ATOM 0 HG22 THR A 501 3.105 -0.486 -7.722 1.00 0.00 H new ATOM 0 HG23 THR A 501 4.806 -0.220 -7.271 1.00 0.00 H new ATOM 1219 N TYR A 502 2.509 -3.303 -4.008 1.00 0.00 N ATOM 1220 CA TYR A 502 2.521 -4.488 -3.143 1.00 0.00 C ATOM 1221 C TYR A 502 3.833 -5.285 -3.287 1.00 0.00 C ATOM 1222 O TYR A 502 4.438 -5.669 -2.284 1.00 0.00 O ATOM 1223 CB TYR A 502 1.297 -5.344 -3.496 1.00 0.00 C ATOM 1224 CG TYR A 502 1.196 -6.661 -2.751 1.00 0.00 C ATOM 1225 CD1 TYR A 502 0.533 -6.718 -1.510 1.00 0.00 C ATOM 1226 CD2 TYR A 502 1.751 -7.832 -3.304 1.00 0.00 C ATOM 1227 CE1 TYR A 502 0.458 -7.931 -0.800 1.00 0.00 C ATOM 1228 CE2 TYR A 502 1.663 -9.050 -2.604 1.00 0.00 C ATOM 1229 CZ TYR A 502 1.045 -9.096 -1.338 1.00 0.00 C ATOM 1230 OH TYR A 502 0.950 -10.282 -0.678 1.00 0.00 O ATOM 0 H TYR A 502 1.713 -3.265 -4.644 1.00 0.00 H new ATOM 0 HA TYR A 502 2.469 -4.182 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 502 0.397 -4.762 -3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 502 1.314 -5.550 -4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 502 0.080 -5.827 -1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 502 2.244 -7.795 -4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -0.047 -7.970 0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 502 2.070 -9.951 -3.038 1.00 0.00 H new ATOM 0 HH TYR A 502 0.117 -10.304 -0.162 1.00 0.00 H new ATOM 1240 N ALA A 503 4.320 -5.478 -4.519 1.00 0.00 N ATOM 1241 CA ALA A 503 5.547 -6.229 -4.796 1.00 0.00 C ATOM 1242 C ALA A 503 6.823 -5.524 -4.284 1.00 0.00 C ATOM 1243 O ALA A 503 7.720 -6.178 -3.745 1.00 0.00 O ATOM 1244 CB ALA A 503 5.621 -6.484 -6.306 1.00 0.00 C ATOM 0 H ALA A 503 3.868 -5.113 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 503 5.504 -7.172 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 503 6.528 -7.043 -6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 503 4.750 -7.059 -6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 503 5.637 -5.531 -6.836 1.00 0.00 H new ATOM 1250 N GLU A 504 6.903 -4.194 -4.403 1.00 0.00 N ATOM 1251 CA GLU A 504 7.991 -3.363 -3.904 1.00 0.00 C ATOM 1252 C GLU A 504 8.109 -3.437 -2.371 1.00 0.00 C ATOM 1253 O GLU A 504 9.222 -3.529 -1.848 1.00 0.00 O ATOM 1254 CB GLU A 504 7.679 -1.949 -4.413 1.00 0.00 C ATOM 1255 CG GLU A 504 8.586 -0.835 -3.920 1.00 0.00 C ATOM 1256 CD GLU A 504 10.030 -0.950 -4.434 1.00 0.00 C ATOM 1257 OE1 GLU A 504 10.263 -0.830 -5.662 1.00 0.00 O ATOM 1258 OE2 GLU A 504 10.949 -1.153 -3.606 1.00 0.00 O ATOM 0 H GLU A 504 6.178 -3.650 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 504 8.964 -3.700 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 504 7.717 -1.963 -5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 504 6.655 -1.704 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 504 8.173 0.124 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 504 8.595 -0.839 -2.830 1.00 0.00 H new ATOM 1265 N TYR A 505 6.977 -3.475 -1.653 1.00 0.00 N ATOM 1266 CA TYR A 505 6.946 -3.743 -0.212 1.00 0.00 C ATOM 1267 C TYR A 505 7.357 -5.188 0.126 1.00 0.00 C ATOM 1268 O TYR A 505 8.247 -5.394 0.954 1.00 0.00 O ATOM 1269 CB TYR A 505 5.546 -3.439 0.344 1.00 0.00 C ATOM 1270 CG TYR A 505 5.418 -3.767 1.821 1.00 0.00 C ATOM 1271 CD1 TYR A 505 5.960 -2.897 2.786 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.823 -4.979 2.225 1.00 0.00 C ATOM 1273 CE1 TYR A 505 5.903 -3.231 4.153 1.00 0.00 C ATOM 1274 CE2 TYR A 505 4.761 -5.316 3.592 1.00 0.00 C ATOM 1275 CZ TYR A 505 5.302 -4.442 4.560 1.00 0.00 C ATOM 1276 OH TYR A 505 5.257 -4.763 5.882 1.00 0.00 O ATOM 0 H TYR A 505 6.054 -3.320 -2.060 1.00 0.00 H new ATOM 0 HA TYR A 505 7.678 -3.088 0.260 1.00 0.00 H new ATOM 0 HB2 TYR A 505 5.319 -2.384 0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.805 -4.010 -0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.421 -1.970 2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.414 -5.651 1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 505 6.319 -2.560 4.890 1.00 0.00 H new ATOM 0 HE2 TYR A 505 4.300 -6.243 3.899 1.00 0.00 H new ATOM 0 HH TYR A 505 4.810 -5.628 5.994 1.00 0.00 H new