USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 274 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 409 SER OG : rot -59:sc= 1.19 USER MOD Set 1.2: A 426 TYR OH : rot 180:sc= 1.04 USER MOD Single : A 397 MET CE :methyl -115:sc= -3.48 (180deg=-3.77) USER MOD Single : A 404 SER OG : rot 179:sc= -1.69 USER MOD Single : A 405 TYR OH : rot 180:sc= 0 USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 410 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.0017) USER MOD Single : A 417 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 418 MET CE :methyl -152:sc= -4.27! (180deg=-5.8!) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 429 MET CE :methyl 159:sc= -4.68 (180deg=-5.74!) USER MOD ----------------------------------------------------------------- ATOM 211 N ILE A 395 4.807 -5.182 -2.607 1.00 0.00 N ATOM 212 CA ILE A 395 6.207 -5.001 -2.242 1.00 0.00 C ATOM 213 C ILE A 395 6.629 -3.543 -2.388 1.00 0.00 C ATOM 214 O ILE A 395 6.262 -2.872 -3.352 1.00 0.00 O ATOM 215 CB ILE A 395 7.133 -5.882 -3.104 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.680 -7.342 -3.050 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.578 -5.754 -2.639 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.797 -7.960 -1.672 1.00 0.00 C ATOM 0 HA ILE A 395 6.302 -5.301 -1.199 1.00 0.00 H new ATOM 0 HB ILE A 395 7.074 -5.539 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.643 -7.405 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.275 -7.925 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 395 9.217 -6.383 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.897 -4.715 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.655 -6.072 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.459 -8.996 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.837 -7.929 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 395 6.180 -7.401 -0.969 1.00 0.00 H new ATOM 230 N VAL A 396 7.405 -3.064 -1.424 1.00 0.00 N ATOM 231 CA VAL A 396 7.885 -1.688 -1.435 1.00 0.00 C ATOM 232 C VAL A 396 9.406 -1.647 -1.326 1.00 0.00 C ATOM 233 O VAL A 396 10.005 -2.424 -0.582 1.00 0.00 O ATOM 234 CB VAL A 396 7.267 -0.872 -0.283 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.676 -1.447 1.064 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.661 0.594 -0.388 1.00 0.00 C ATOM 0 H VAL A 396 7.717 -3.611 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 396 7.579 -1.244 -2.382 1.00 0.00 H new ATOM 0 HB VAL A 396 6.182 -0.937 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.229 -0.856 1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.331 -2.478 1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.762 -1.420 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 396 7.214 1.151 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.746 0.683 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 396 7.306 0.999 -1.335 1.00 0.00 H new ATOM 246 N MET A 397 10.028 -0.742 -2.072 1.00 0.00 N ATOM 247 CA MET A 397 11.480 -0.611 -2.054 1.00 0.00 C ATOM 248 C MET A 397 11.935 0.297 -0.914 1.00 0.00 C ATOM 249 O MET A 397 11.658 1.496 -0.917 1.00 0.00 O ATOM 250 CB MET A 397 11.979 -0.060 -3.390 1.00 0.00 C ATOM 251 CG MET A 397 11.512 -0.862 -4.593 1.00 0.00 C ATOM 252 SD MET A 397 12.782 -1.976 -5.223 1.00 0.00 S ATOM 253 CE MET A 397 12.628 -3.345 -4.079 1.00 0.00 C ATOM 0 H MET A 397 9.552 -0.090 -2.695 1.00 0.00 H new ATOM 0 HA MET A 397 11.905 -1.602 -1.894 1.00 0.00 H new ATOM 0 HB2 MET A 397 11.640 0.970 -3.497 1.00 0.00 H new ATOM 0 HB3 MET A 397 13.069 -0.038 -3.380 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.630 -1.441 -4.318 1.00 0.00 H new ATOM 0 HG3 MET A 397 11.209 -0.178 -5.385 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.543 -3.434 -3.493 1.00 0.00 H new ATOM 0 HE2 MET A 397 11.785 -3.168 -3.411 1.00 0.00 H new ATOM 0 HE3 MET A 397 12.462 -4.267 -4.636 1.00 0.00 H new ATOM 263 N VAL A 398 12.637 -0.284 0.053 1.00 0.00 N ATOM 264 CA VAL A 398 13.138 0.471 1.196 1.00 0.00 C ATOM 265 C VAL A 398 14.658 0.582 1.149 1.00 0.00 C ATOM 266 O VAL A 398 15.364 -0.426 1.160 1.00 0.00 O ATOM 267 CB VAL A 398 12.727 -0.185 2.529 1.00 0.00 C ATOM 268 CG1 VAL A 398 13.134 0.689 3.704 1.00 0.00 C ATOM 269 CG2 VAL A 398 11.231 -0.456 2.553 1.00 0.00 C ATOM 0 H VAL A 398 12.872 -1.276 0.068 1.00 0.00 H new ATOM 0 HA VAL A 398 12.696 1.466 1.139 1.00 0.00 H new ATOM 0 HB VAL A 398 13.248 -1.138 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.835 0.209 4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 398 14.215 0.827 3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.644 1.659 3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.960 -0.919 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.689 0.483 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.970 -1.126 1.734 1.00 0.00 H new ATOM 279 N ALA A 399 15.157 1.813 1.097 1.00 0.00 N ATOM 280 CA ALA A 399 16.595 2.053 1.049 1.00 0.00 C ATOM 281 C ALA A 399 17.245 1.320 -0.122 1.00 0.00 C ATOM 282 O ALA A 399 18.443 1.042 -0.103 1.00 0.00 O ATOM 283 CB ALA A 399 17.242 1.632 2.360 1.00 0.00 C ATOM 0 H ALA A 399 14.587 2.659 1.087 1.00 0.00 H new ATOM 0 HA ALA A 399 16.751 3.122 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.315 1.816 2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.812 2.208 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 399 17.063 0.570 2.529 1.00 0.00 H new ATOM 289 N GLY A 400 16.448 1.011 -1.142 1.00 0.00 N ATOM 290 CA GLY A 400 16.969 0.316 -2.305 1.00 0.00 C ATOM 291 C GLY A 400 16.868 -1.194 -2.183 1.00 0.00 C ATOM 292 O GLY A 400 17.582 -1.925 -2.869 1.00 0.00 O ATOM 0 H GLY A 400 15.453 1.229 -1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.424 0.641 -3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 400 18.012 0.595 -2.452 1.00 0.00 H new ATOM 296 N ARG A 401 15.979 -1.663 -1.313 1.00 0.00 N ATOM 297 CA ARG A 401 15.792 -3.095 -1.110 1.00 0.00 C ATOM 298 C ARG A 401 14.306 -3.439 -1.018 1.00 0.00 C ATOM 299 O ARG A 401 13.502 -2.624 -0.568 1.00 0.00 O ATOM 300 CB ARG A 401 16.513 -3.550 0.159 1.00 0.00 C ATOM 301 CG ARG A 401 18.029 -3.494 0.051 1.00 0.00 C ATOM 302 CD ARG A 401 18.659 -2.925 1.312 1.00 0.00 C ATOM 303 NE ARG A 401 18.548 -3.843 2.443 1.00 0.00 N ATOM 304 CZ ARG A 401 18.940 -3.546 3.680 1.00 0.00 C ATOM 305 NH1 ARG A 401 19.468 -2.359 3.949 1.00 0.00 N ATOM 306 NH2 ARG A 401 18.804 -4.440 4.650 1.00 0.00 N ATOM 0 H ARG A 401 15.378 -1.073 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 401 16.217 -3.619 -1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.193 -2.925 0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 401 16.211 -4.571 0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 401 18.419 -4.496 -0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.311 -2.882 -0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 401 19.710 -2.706 1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 401 18.177 -1.980 1.563 1.00 0.00 H new ATOM 0 HE ARG A 401 18.147 -4.766 2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 401 19.575 -1.668 3.206 1.00 0.00 H new ATOM 0 HH12 ARG A 401 19.767 -2.137 4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 401 18.399 -5.354 4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 401 19.104 -4.213 5.598 1.00 0.00 H new ATOM 320 N PRO A 402 13.917 -4.653 -1.446 1.00 0.00 N ATOM 321 CA PRO A 402 12.518 -5.091 -1.406 1.00 0.00 C ATOM 322 C PRO A 402 11.998 -5.242 0.021 1.00 0.00 C ATOM 323 O PRO A 402 12.677 -5.800 0.884 1.00 0.00 O ATOM 324 CB PRO A 402 12.535 -6.456 -2.111 1.00 0.00 C ATOM 325 CG PRO A 402 13.850 -6.526 -2.813 1.00 0.00 C ATOM 326 CD PRO A 402 14.797 -5.690 -2.003 1.00 0.00 C ATOM 0 HA PRO A 402 11.859 -4.364 -1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 402 12.429 -7.270 -1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 402 11.709 -6.544 -2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 402 14.201 -7.556 -2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.769 -6.147 -3.832 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.283 -6.272 -1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 402 15.588 -5.262 -2.619 1.00 0.00 H new ATOM 334 N PHE A 403 10.789 -4.745 0.258 1.00 0.00 N ATOM 335 CA PHE A 403 10.169 -4.823 1.577 1.00 0.00 C ATOM 336 C PHE A 403 8.653 -4.933 1.455 1.00 0.00 C ATOM 337 O PHE A 403 8.098 -4.797 0.366 1.00 0.00 O ATOM 338 CB PHE A 403 10.533 -3.594 2.411 1.00 0.00 C ATOM 339 CG PHE A 403 11.830 -3.733 3.152 1.00 0.00 C ATOM 340 CD1 PHE A 403 13.038 -3.632 2.483 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.843 -3.963 4.518 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.236 -3.757 3.161 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.037 -4.090 5.203 1.00 0.00 C ATOM 344 CZ PHE A 403 14.235 -3.986 4.523 1.00 0.00 C ATOM 0 H PHE A 403 10.217 -4.282 -0.448 1.00 0.00 H new ATOM 0 HA PHE A 403 10.546 -5.716 2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.590 -2.725 1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.734 -3.402 3.127 1.00 0.00 H new ATOM 0 HD1 PHE A 403 13.044 -3.453 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 403 10.909 -4.044 5.054 1.00 0.00 H new ATOM 0 HE1 PHE A 403 15.171 -3.676 2.627 1.00 0.00 H new ATOM 0 HE2 PHE A 403 13.033 -4.270 6.268 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.169 -4.084 5.056 1.00 0.00 H new ATOM 354 N SER A 404 7.989 -5.173 2.579 1.00 0.00 N ATOM 355 CA SER A 404 6.536 -5.293 2.593 1.00 0.00 C ATOM 356 C SER A 404 5.897 -3.975 3.018 1.00 0.00 C ATOM 357 O SER A 404 6.343 -3.337 3.971 1.00 0.00 O ATOM 358 CB SER A 404 6.103 -6.415 3.539 1.00 0.00 C ATOM 359 OG SER A 404 6.119 -5.982 4.888 1.00 0.00 O ATOM 0 H SER A 404 8.432 -5.288 3.491 1.00 0.00 H new ATOM 0 HA SER A 404 6.201 -5.535 1.584 1.00 0.00 H new ATOM 0 HB2 SER A 404 5.101 -6.751 3.274 1.00 0.00 H new ATOM 0 HB3 SER A 404 6.768 -7.271 3.421 1.00 0.00 H new ATOM 0 HG SER A 404 5.821 -6.712 5.470 1.00 0.00 H new ATOM 365 N TYR A 405 4.854 -3.570 2.303 1.00 0.00 N ATOM 366 CA TYR A 405 4.158 -2.325 2.604 1.00 0.00 C ATOM 367 C TYR A 405 3.650 -2.313 4.043 1.00 0.00 C ATOM 368 O TYR A 405 3.707 -1.288 4.722 1.00 0.00 O ATOM 369 CB TYR A 405 2.990 -2.123 1.637 1.00 0.00 C ATOM 370 CG TYR A 405 2.386 -0.738 1.698 1.00 0.00 C ATOM 371 CD1 TYR A 405 3.084 0.364 1.223 1.00 0.00 C ATOM 372 CD2 TYR A 405 1.119 -0.534 2.231 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.537 1.633 1.277 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.565 0.731 2.289 1.00 0.00 C ATOM 375 CZ TYR A 405 1.278 1.811 1.810 1.00 0.00 C ATOM 376 OH TYR A 405 0.730 3.072 1.866 1.00 0.00 O ATOM 0 H TYR A 405 4.472 -4.086 1.511 1.00 0.00 H new ATOM 0 HA TYR A 405 4.868 -1.506 2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.333 -2.316 0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 405 2.216 -2.858 1.857 1.00 0.00 H new ATOM 0 HD1 TYR A 405 4.070 0.228 0.804 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.558 -1.377 2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 405 3.093 2.480 0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.421 0.873 2.707 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.162 3.023 2.268 1.00 0.00 H new ATOM 386 N SER A 406 3.153 -3.456 4.499 1.00 0.00 N ATOM 387 CA SER A 406 2.634 -3.575 5.857 1.00 0.00 C ATOM 388 C SER A 406 3.741 -3.371 6.888 1.00 0.00 C ATOM 389 O SER A 406 3.530 -2.738 7.922 1.00 0.00 O ATOM 390 CB SER A 406 1.984 -4.945 6.058 1.00 0.00 C ATOM 391 OG SER A 406 0.982 -5.182 5.084 1.00 0.00 O ATOM 0 H SER A 406 3.098 -4.314 3.949 1.00 0.00 H new ATOM 0 HA SER A 406 1.884 -2.797 5.999 1.00 0.00 H new ATOM 0 HB2 SER A 406 2.744 -5.724 5.999 1.00 0.00 H new ATOM 0 HB3 SER A 406 1.547 -5.001 7.055 1.00 0.00 H new ATOM 0 HG SER A 406 0.583 -6.065 5.233 1.00 0.00 H new ATOM 397 N GLU A 407 4.921 -3.912 6.600 1.00 0.00 N ATOM 398 CA GLU A 407 6.059 -3.791 7.505 1.00 0.00 C ATOM 399 C GLU A 407 6.557 -2.352 7.577 1.00 0.00 C ATOM 400 O GLU A 407 7.103 -1.922 8.593 1.00 0.00 O ATOM 401 CB GLU A 407 7.194 -4.715 7.061 1.00 0.00 C ATOM 402 CG GLU A 407 8.391 -4.703 7.998 1.00 0.00 C ATOM 403 CD GLU A 407 8.085 -5.331 9.343 1.00 0.00 C ATOM 404 OE1 GLU A 407 7.162 -6.170 9.410 1.00 0.00 O ATOM 405 OE2 GLU A 407 8.768 -4.984 10.329 1.00 0.00 O ATOM 0 H GLU A 407 5.114 -4.438 5.748 1.00 0.00 H new ATOM 0 HA GLU A 407 5.726 -4.087 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.813 -5.733 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.521 -4.421 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 407 9.218 -5.238 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 407 8.720 -3.675 8.148 1.00 0.00 H new ATOM 412 N VAL A 408 6.366 -1.615 6.492 1.00 0.00 N ATOM 413 CA VAL A 408 6.796 -0.223 6.429 1.00 0.00 C ATOM 414 C VAL A 408 5.968 0.649 7.365 1.00 0.00 C ATOM 415 O VAL A 408 6.511 1.340 8.229 1.00 0.00 O ATOM 416 CB VAL A 408 6.689 0.337 4.998 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.301 1.728 4.921 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.350 -0.603 4.000 1.00 0.00 C ATOM 0 H VAL A 408 5.916 -1.957 5.643 1.00 0.00 H new ATOM 0 HA VAL A 408 7.840 -0.201 6.741 1.00 0.00 H new ATOM 0 HB VAL A 408 5.633 0.415 4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 408 7.216 2.107 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.773 2.396 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.353 1.679 5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.263 -0.188 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.404 -0.720 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.858 -1.575 4.035 1.00 0.00 H new ATOM 428 N SER A 409 4.651 0.617 7.187 1.00 0.00 N ATOM 429 CA SER A 409 3.750 1.406 8.017 1.00 0.00 C ATOM 430 C SER A 409 3.900 1.034 9.486 1.00 0.00 C ATOM 431 O SER A 409 3.703 1.864 10.373 1.00 0.00 O ATOM 432 CB SER A 409 2.301 1.205 7.569 1.00 0.00 C ATOM 433 OG SER A 409 2.214 1.087 6.160 1.00 0.00 O ATOM 0 H SER A 409 4.185 0.053 6.476 1.00 0.00 H new ATOM 0 HA SER A 409 4.014 2.457 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 409 1.893 0.309 8.038 1.00 0.00 H new ATOM 0 HB3 SER A 409 1.693 2.045 7.905 1.00 0.00 H new ATOM 0 HG SER A 409 2.579 1.894 5.741 1.00 0.00 H new ATOM 439 N GLN A 410 4.257 -0.217 9.732 1.00 0.00 N ATOM 440 CA GLN A 410 4.443 -0.709 11.091 1.00 0.00 C ATOM 441 C GLN A 410 5.734 -0.166 11.693 1.00 0.00 C ATOM 442 O GLN A 410 5.861 -0.040 12.911 1.00 0.00 O ATOM 443 CB GLN A 410 4.463 -2.240 11.106 1.00 0.00 C ATOM 444 CG GLN A 410 3.109 -2.868 10.819 1.00 0.00 C ATOM 445 CD GLN A 410 3.203 -4.357 10.542 1.00 0.00 C ATOM 446 OE1 GLN A 410 2.525 -4.878 9.659 1.00 0.00 O ATOM 447 NE2 GLN A 410 4.048 -5.048 11.299 1.00 0.00 N ATOM 0 H GLN A 410 4.425 -0.914 9.006 1.00 0.00 H new ATOM 0 HA GLN A 410 3.606 -0.359 11.695 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.182 -2.593 10.367 1.00 0.00 H new ATOM 0 HB3 GLN A 410 4.813 -2.581 12.080 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.448 -2.701 11.669 1.00 0.00 H new ATOM 0 HG3 GLN A 410 2.656 -2.371 9.961 1.00 0.00 H new ATOM 0 HE21 GLN A 410 4.591 -4.574 12.021 1.00 0.00 H new ATOM 0 HE22 GLN A 410 4.154 -6.053 11.159 1.00 0.00 H new ATOM 456 N ARG A 411 6.688 0.155 10.828 1.00 0.00 N ATOM 457 CA ARG A 411 7.973 0.687 11.264 1.00 0.00 C ATOM 458 C ARG A 411 8.270 2.019 10.578 1.00 0.00 C ATOM 459 O ARG A 411 8.914 2.055 9.529 1.00 0.00 O ATOM 460 CB ARG A 411 9.091 -0.314 10.967 1.00 0.00 C ATOM 461 CG ARG A 411 9.143 -1.476 11.945 1.00 0.00 C ATOM 462 CD ARG A 411 10.495 -2.169 11.914 1.00 0.00 C ATOM 463 NE ARG A 411 10.730 -2.966 13.116 1.00 0.00 N ATOM 464 CZ ARG A 411 11.075 -2.448 14.293 1.00 0.00 C ATOM 465 NH1 ARG A 411 11.226 -1.137 14.430 1.00 0.00 N ATOM 466 NH2 ARG A 411 11.269 -3.244 15.336 1.00 0.00 N ATOM 0 H ARG A 411 6.595 0.056 9.817 1.00 0.00 H new ATOM 0 HA ARG A 411 7.923 0.855 12.340 1.00 0.00 H new ATOM 0 HB2 ARG A 411 8.959 -0.705 9.958 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.048 0.207 10.984 1.00 0.00 H new ATOM 0 HG2 ARG A 411 8.941 -1.114 12.953 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.359 -2.193 11.701 1.00 0.00 H new ATOM 0 HD2 ARG A 411 10.553 -2.812 11.036 1.00 0.00 H new ATOM 0 HD3 ARG A 411 11.283 -1.422 11.814 1.00 0.00 H new ATOM 0 HE ARG A 411 10.624 -3.978 13.049 1.00 0.00 H new ATOM 0 HH11 ARG A 411 11.078 -0.520 13.631 1.00 0.00 H new ATOM 0 HH12 ARG A 411 11.490 -0.746 15.334 1.00 0.00 H new ATOM 0 HH21 ARG A 411 11.154 -4.253 15.236 1.00 0.00 H new ATOM 0 HH22 ARG A 411 11.533 -2.848 16.238 1.00 0.00 H new ATOM 480 N PRO A 412 7.803 3.134 11.164 1.00 0.00 N ATOM 481 CA PRO A 412 8.021 4.471 10.602 1.00 0.00 C ATOM 482 C PRO A 412 9.487 4.732 10.275 1.00 0.00 C ATOM 483 O PRO A 412 9.804 5.536 9.398 1.00 0.00 O ATOM 484 CB PRO A 412 7.548 5.406 11.717 1.00 0.00 C ATOM 485 CG PRO A 412 6.550 4.605 12.482 1.00 0.00 C ATOM 486 CD PRO A 412 7.025 3.180 12.418 1.00 0.00 C ATOM 0 HA PRO A 412 7.492 4.607 9.659 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.378 5.717 12.352 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.101 6.313 11.311 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.483 4.948 13.514 1.00 0.00 H new ATOM 0 HG3 PRO A 412 5.555 4.704 12.048 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.639 2.922 13.281 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.191 2.479 12.399 1.00 0.00 H new ATOM 494 N GLU A 413 10.379 4.049 10.985 1.00 0.00 N ATOM 495 CA GLU A 413 11.812 4.207 10.768 1.00 0.00 C ATOM 496 C GLU A 413 12.202 3.780 9.358 1.00 0.00 C ATOM 497 O GLU A 413 13.173 4.282 8.791 1.00 0.00 O ATOM 498 CB GLU A 413 12.600 3.396 11.798 1.00 0.00 C ATOM 499 CG GLU A 413 14.102 3.623 11.733 1.00 0.00 C ATOM 500 CD GLU A 413 14.870 2.740 12.699 1.00 0.00 C ATOM 501 OE1 GLU A 413 14.232 1.912 13.384 1.00 0.00 O ATOM 502 OE2 GLU A 413 16.109 2.878 12.771 1.00 0.00 O ATOM 0 H GLU A 413 10.134 3.381 11.716 1.00 0.00 H new ATOM 0 HA GLU A 413 12.055 5.263 10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.246 3.651 12.797 1.00 0.00 H new ATOM 0 HB3 GLU A 413 12.394 2.336 11.648 1.00 0.00 H new ATOM 0 HG2 GLU A 413 14.450 3.433 10.718 1.00 0.00 H new ATOM 0 HG3 GLU A 413 14.317 4.669 11.953 1.00 0.00 H new ATOM 509 N LEU A 414 11.438 2.852 8.800 1.00 0.00 N ATOM 510 CA LEU A 414 11.698 2.355 7.455 1.00 0.00 C ATOM 511 C LEU A 414 11.469 3.450 6.418 1.00 0.00 C ATOM 512 O LEU A 414 12.221 3.570 5.451 1.00 0.00 O ATOM 513 CB LEU A 414 10.801 1.153 7.148 1.00 0.00 C ATOM 514 CG LEU A 414 10.970 -0.041 8.090 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.108 -1.206 7.633 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.433 -0.456 8.167 1.00 0.00 C ATOM 0 H LEU A 414 10.632 2.427 9.258 1.00 0.00 H new ATOM 0 HA LEU A 414 12.741 2.043 7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 414 9.761 1.478 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 414 10.999 0.822 6.128 1.00 0.00 H new ATOM 0 HG LEU A 414 10.644 0.257 9.087 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.241 -2.046 8.315 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.061 -0.904 7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.403 -1.505 6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.535 -1.306 8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 414 12.785 -0.736 7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.028 0.377 8.541 1.00 0.00 H new ATOM 528 N VAL A 415 10.426 4.245 6.628 1.00 0.00 N ATOM 529 CA VAL A 415 10.098 5.331 5.714 1.00 0.00 C ATOM 530 C VAL A 415 11.210 6.373 5.682 1.00 0.00 C ATOM 531 O VAL A 415 11.514 6.939 4.631 1.00 0.00 O ATOM 532 CB VAL A 415 8.776 6.016 6.107 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.362 7.030 5.051 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.682 4.980 6.318 1.00 0.00 C ATOM 0 H VAL A 415 9.793 4.157 7.423 1.00 0.00 H new ATOM 0 HA VAL A 415 9.987 4.891 4.723 1.00 0.00 H new ATOM 0 HB VAL A 415 8.930 6.548 7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.426 7.503 5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.137 7.790 4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.226 6.525 4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 415 6.755 5.481 6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.530 4.419 5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 415 7.977 4.296 7.114 1.00 0.00 H new ATOM 544 N ALA A 416 11.817 6.621 6.839 1.00 0.00 N ATOM 545 CA ALA A 416 12.897 7.594 6.941 1.00 0.00 C ATOM 546 C ALA A 416 14.143 7.111 6.210 1.00 0.00 C ATOM 547 O ALA A 416 14.940 7.910 5.718 1.00 0.00 O ATOM 548 CB ALA A 416 13.215 7.881 8.400 1.00 0.00 C ATOM 0 H ALA A 416 11.579 6.161 7.718 1.00 0.00 H new ATOM 0 HA ALA A 416 12.565 8.517 6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.024 8.609 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.329 8.281 8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.520 6.959 8.894 1.00 0.00 H new ATOM 554 N GLN A 417 14.301 5.796 6.142 1.00 0.00 N ATOM 555 CA GLN A 417 15.447 5.195 5.470 1.00 0.00 C ATOM 556 C GLN A 417 15.245 5.167 3.957 1.00 0.00 C ATOM 557 O GLN A 417 16.204 5.041 3.195 1.00 0.00 O ATOM 558 CB GLN A 417 15.685 3.776 5.992 1.00 0.00 C ATOM 559 CG GLN A 417 16.065 3.725 7.462 1.00 0.00 C ATOM 560 CD GLN A 417 16.245 2.308 7.968 1.00 0.00 C ATOM 561 OE1 GLN A 417 15.798 1.349 7.338 1.00 0.00 O ATOM 562 NE2 GLN A 417 16.902 2.167 9.114 1.00 0.00 N ATOM 0 H GLN A 417 13.649 5.123 6.545 1.00 0.00 H new ATOM 0 HA GLN A 417 16.322 5.807 5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.782 3.185 5.838 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.476 3.309 5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 417 16.990 4.281 7.614 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.294 4.222 8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 417 17.256 2.989 9.604 1.00 0.00 H new ATOM 0 HE22 GLN A 417 17.053 1.237 9.504 1.00 0.00 H new ATOM 571 N MET A 418 13.993 5.282 3.528 1.00 0.00 N ATOM 572 CA MET A 418 13.665 5.267 2.108 1.00 0.00 C ATOM 573 C MET A 418 14.030 6.593 1.447 1.00 0.00 C ATOM 574 O MET A 418 13.710 7.663 1.964 1.00 0.00 O ATOM 575 CB MET A 418 12.173 4.994 1.911 1.00 0.00 C ATOM 576 CG MET A 418 11.735 3.621 2.390 1.00 0.00 C ATOM 577 SD MET A 418 10.460 2.898 1.341 1.00 0.00 S ATOM 578 CE MET A 418 9.270 2.373 2.569 1.00 0.00 C ATOM 0 H MET A 418 13.188 5.387 4.145 1.00 0.00 H new ATOM 0 HA MET A 418 14.245 4.472 1.640 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.600 5.754 2.442 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.931 5.094 0.853 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.599 2.957 2.417 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.360 3.698 3.411 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.710 1.518 2.191 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.792 2.089 3.483 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.583 3.191 2.783 1.00 0.00 H new ATOM 588 N THR A 419 14.689 6.514 0.295 1.00 0.00 N ATOM 589 CA THR A 419 15.081 7.712 -0.439 1.00 0.00 C ATOM 590 C THR A 419 13.841 8.492 -0.866 1.00 0.00 C ATOM 591 O THR A 419 12.748 7.931 -0.943 1.00 0.00 O ATOM 592 CB THR A 419 15.918 7.337 -1.666 1.00 0.00 C ATOM 593 OG1 THR A 419 15.085 6.895 -2.724 1.00 0.00 O ATOM 594 CG2 THR A 419 16.931 6.246 -1.393 1.00 0.00 C ATOM 0 H THR A 419 14.962 5.637 -0.149 1.00 0.00 H new ATOM 0 HA THR A 419 15.686 8.340 0.215 1.00 0.00 H new ATOM 0 HB THR A 419 16.455 8.246 -1.937 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.637 6.662 -3.499 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.488 6.031 -2.305 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.620 6.576 -0.616 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.415 5.345 -1.062 1.00 0.00 H new ATOM 602 N PRO A 420 13.983 9.798 -1.147 1.00 0.00 N ATOM 603 CA PRO A 420 12.861 10.643 -1.561 1.00 0.00 C ATOM 604 C PRO A 420 11.994 9.977 -2.623 1.00 0.00 C ATOM 605 O PRO A 420 10.778 9.869 -2.462 1.00 0.00 O ATOM 606 CB PRO A 420 13.535 11.908 -2.121 1.00 0.00 C ATOM 607 CG PRO A 420 15.005 11.631 -2.116 1.00 0.00 C ATOM 608 CD PRO A 420 15.231 10.563 -1.084 1.00 0.00 C ATOM 0 HA PRO A 420 12.184 10.848 -0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.182 12.124 -3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.300 12.778 -1.508 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.341 11.299 -3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 420 15.569 12.531 -1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 420 16.098 9.946 -1.320 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.400 10.984 -0.093 1.00 0.00 H new ATOM 616 N GLU A 421 12.619 9.522 -3.703 1.00 0.00 N ATOM 617 CA GLU A 421 11.887 8.856 -4.774 1.00 0.00 C ATOM 618 C GLU A 421 11.189 7.614 -4.239 1.00 0.00 C ATOM 619 O GLU A 421 10.025 7.360 -4.548 1.00 0.00 O ATOM 620 CB GLU A 421 12.833 8.480 -5.916 1.00 0.00 C ATOM 621 CG GLU A 421 13.338 9.677 -6.703 1.00 0.00 C ATOM 622 CD GLU A 421 12.237 10.369 -7.485 1.00 0.00 C ATOM 623 OE1 GLU A 421 11.175 9.746 -7.692 1.00 0.00 O ATOM 624 OE2 GLU A 421 12.439 11.533 -7.889 1.00 0.00 O ATOM 0 H GLU A 421 13.624 9.601 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 421 11.135 9.544 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.686 7.938 -5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.318 7.800 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 421 13.795 10.391 -6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 421 14.118 9.352 -7.391 1.00 0.00 H new ATOM 631 N GLU A 422 11.904 6.851 -3.417 1.00 0.00 N ATOM 632 CA GLU A 422 11.346 5.646 -2.823 1.00 0.00 C ATOM 633 C GLU A 422 10.202 6.004 -1.884 1.00 0.00 C ATOM 634 O GLU A 422 9.230 5.259 -1.760 1.00 0.00 O ATOM 635 CB GLU A 422 12.426 4.869 -2.067 1.00 0.00 C ATOM 636 CG GLU A 422 13.326 4.043 -2.972 1.00 0.00 C ATOM 637 CD GLU A 422 14.390 3.283 -2.204 1.00 0.00 C ATOM 638 OE1 GLU A 422 14.553 3.548 -0.994 1.00 0.00 O ATOM 639 OE2 GLU A 422 15.061 2.424 -2.812 1.00 0.00 O ATOM 0 H GLU A 422 12.868 7.047 -3.149 1.00 0.00 H new ATOM 0 HA GLU A 422 10.961 5.013 -3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 422 13.039 5.571 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 422 11.948 4.209 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 422 12.717 3.337 -3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 422 13.807 4.700 -3.697 1.00 0.00 H new ATOM 646 N LYS A 423 10.318 7.160 -1.233 1.00 0.00 N ATOM 647 CA LYS A 423 9.286 7.621 -0.318 1.00 0.00 C ATOM 648 C LYS A 423 7.995 7.891 -1.079 1.00 0.00 C ATOM 649 O LYS A 423 6.901 7.607 -0.593 1.00 0.00 O ATOM 650 CB LYS A 423 9.742 8.888 0.409 1.00 0.00 C ATOM 651 CG LYS A 423 8.771 9.359 1.479 1.00 0.00 C ATOM 652 CD LYS A 423 9.244 10.647 2.133 1.00 0.00 C ATOM 653 CE LYS A 423 8.360 11.034 3.306 1.00 0.00 C ATOM 654 NZ LYS A 423 9.136 11.693 4.393 1.00 0.00 N ATOM 0 H LYS A 423 11.115 7.790 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 423 9.105 6.842 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.713 8.704 0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.880 9.686 -0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 423 7.787 9.515 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 423 8.660 8.584 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 423 10.272 10.526 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 423 9.246 11.451 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 423 7.574 11.707 2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 423 7.868 10.144 3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 8.496 11.941 5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.870 11.042 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 9.585 12.556 4.025 1.00 0.00 H new ATOM 668 N GLU A 424 8.136 8.435 -2.285 1.00 0.00 N ATOM 669 CA GLU A 424 6.985 8.736 -3.125 1.00 0.00 C ATOM 670 C GLU A 424 6.268 7.455 -3.530 1.00 0.00 C ATOM 671 O GLU A 424 5.043 7.370 -3.460 1.00 0.00 O ATOM 672 CB GLU A 424 7.426 9.510 -4.369 1.00 0.00 C ATOM 673 CG GLU A 424 7.620 10.998 -4.124 1.00 0.00 C ATOM 674 CD GLU A 424 6.349 11.684 -3.662 1.00 0.00 C ATOM 675 OE1 GLU A 424 5.258 11.110 -3.865 1.00 0.00 O ATOM 676 OE2 GLU A 424 6.445 12.793 -3.096 1.00 0.00 O ATOM 0 H GLU A 424 9.036 8.675 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 424 6.293 9.354 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.360 9.086 -4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.682 9.374 -5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 424 8.398 11.140 -3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 424 7.971 11.471 -5.041 1.00 0.00 H new ATOM 683 N ALA A 425 7.040 6.452 -3.943 1.00 0.00 N ATOM 684 CA ALA A 425 6.471 5.172 -4.347 1.00 0.00 C ATOM 685 C ALA A 425 5.645 4.570 -3.219 1.00 0.00 C ATOM 686 O ALA A 425 4.667 3.862 -3.453 1.00 0.00 O ATOM 687 CB ALA A 425 7.572 4.213 -4.775 1.00 0.00 C ATOM 0 H ALA A 425 8.057 6.502 -4.006 1.00 0.00 H new ATOM 0 HA ALA A 425 5.811 5.343 -5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.131 3.262 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.119 4.639 -5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.256 4.050 -3.942 1.00 0.00 H new ATOM 693 N TYR A 426 6.046 4.874 -1.993 1.00 0.00 N ATOM 694 CA TYR A 426 5.348 4.387 -0.811 1.00 0.00 C ATOM 695 C TYR A 426 3.987 5.050 -0.694 1.00 0.00 C ATOM 696 O TYR A 426 2.970 4.394 -0.467 1.00 0.00 O ATOM 697 CB TYR A 426 6.164 4.698 0.443 1.00 0.00 C ATOM 698 CG TYR A 426 5.555 4.156 1.716 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.398 2.789 1.911 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.135 5.016 2.723 1.00 0.00 C ATOM 701 CE1 TYR A 426 4.841 2.295 3.075 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.577 4.529 3.889 1.00 0.00 C ATOM 703 CZ TYR A 426 4.432 3.169 4.061 1.00 0.00 C ATOM 704 OH TYR A 426 3.877 2.681 5.221 1.00 0.00 O ATOM 0 H TYR A 426 6.856 5.459 -1.790 1.00 0.00 H new ATOM 0 HA TYR A 426 5.219 3.309 -0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.166 4.284 0.325 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.274 5.779 0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.716 2.102 1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.247 6.082 2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.726 1.230 3.212 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.256 5.211 4.663 1.00 0.00 H new ATOM 0 HH TYR A 426 3.644 3.428 5.811 1.00 0.00 H new ATOM 714 N ILE A 427 3.990 6.366 -0.841 1.00 0.00 N ATOM 715 CA ILE A 427 2.779 7.160 -0.749 1.00 0.00 C ATOM 716 C ILE A 427 1.913 7.005 -1.995 1.00 0.00 C ATOM 717 O ILE A 427 0.685 7.048 -1.917 1.00 0.00 O ATOM 718 CB ILE A 427 3.131 8.646 -0.541 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.883 8.829 0.779 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.875 9.499 -0.565 1.00 0.00 C ATOM 721 CD1 ILE A 427 5.169 9.612 0.641 1.00 0.00 C ATOM 0 H ILE A 427 4.832 6.911 -1.027 1.00 0.00 H new ATOM 0 HA ILE A 427 2.210 6.798 0.107 1.00 0.00 H new ATOM 0 HB ILE A 427 3.777 8.970 -1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.232 9.338 1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.108 7.848 1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.143 10.545 -0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.376 9.385 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.203 9.180 0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 427 5.647 9.702 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 427 5.839 9.094 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 427 4.950 10.606 0.252 1.00 0.00 H new ATOM 733 N ALA A 428 2.557 6.833 -3.143 1.00 0.00 N ATOM 734 CA ALA A 428 1.839 6.680 -4.400 1.00 0.00 C ATOM 735 C ALA A 428 0.931 5.455 -4.370 1.00 0.00 C ATOM 736 O ALA A 428 -0.190 5.490 -4.878 1.00 0.00 O ATOM 737 CB ALA A 428 2.820 6.585 -5.560 1.00 0.00 C ATOM 0 H ALA A 428 3.573 6.796 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 428 1.211 7.560 -4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.269 6.471 -6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.422 7.493 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.472 5.723 -5.416 1.00 0.00 H new ATOM 743 N MET A 429 1.420 4.374 -3.771 1.00 0.00 N ATOM 744 CA MET A 429 0.648 3.139 -3.676 1.00 0.00 C ATOM 745 C MET A 429 -0.647 3.367 -2.904 1.00 0.00 C ATOM 746 O MET A 429 -1.695 2.827 -3.258 1.00 0.00 O ATOM 747 CB MET A 429 1.474 2.045 -2.997 1.00 0.00 C ATOM 748 CG MET A 429 2.561 1.463 -3.886 1.00 0.00 C ATOM 749 SD MET A 429 3.379 0.039 -3.142 1.00 0.00 S ATOM 750 CE MET A 429 4.113 0.790 -1.691 1.00 0.00 C ATOM 0 H MET A 429 2.345 4.327 -3.345 1.00 0.00 H new ATOM 0 HA MET A 429 0.397 2.818 -4.687 1.00 0.00 H new ATOM 0 HB2 MET A 429 1.933 2.454 -2.097 1.00 0.00 H new ATOM 0 HB3 MET A 429 0.808 1.243 -2.679 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.125 1.169 -4.841 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.303 2.233 -4.098 1.00 0.00 H new ATOM 0 HE1 MET A 429 4.325 0.019 -0.950 1.00 0.00 H new ATOM 0 HE2 MET A 429 5.041 1.290 -1.970 1.00 0.00 H new ATOM 0 HE3 MET A 429 3.421 1.519 -1.269 1.00 0.00 H new